A0A096MRR3_PAPAN Loading...

ADAM metallopeptidase with thrombospondin type 1 motif 19

AlphaFold DB , UniProt , Accession A0A096MRR3, Species PAPAN (Papio anubis, Olive baboon), Gene ADAMTS19, Length 1,245 aa.

						>A0A096MRR3_PAPAN|A0A096MRR3|ADAMTS19
MGKNREMRLTHICCCCLLYQLGFLSNGIVSELQFAPDREEWEVVFPALWRREPVDTAGGSGGSADPGWVRGVGAGGSARAQAAGSSREVRSVAPVPLEDPVEGRSESRLRPPPPSEGEEDEELESQELPRGSSGAAALSPGAPASWQPPPPPQPPPSPPPAQPAEPDGDEVLLRIPAFSRDLYLLLRRDGRFLAPRFAVEQRPNPGPGPTGAASAPHPPAPPDAGCFYTGAVLRHPGSLASFSTCGGGLMGFIQLNEDFIFIEPLNDTMAITGHPHRVYRQKRSMEEKVTEKSALHSHYCGIISDKGRPRSRKIAESGRGKRYSYKLPQEYNIETVVVADPAMVSYHGADAARRFILTILNMVFNLFQHKSLGVQVNLRVIKLILLHETPPDLYIGHHGEKMLESFCKWQHEEFGKKNDIHLEMSTSWGEDMTSVDAAILITRKDFCVHKDEPCDTVGIAYLSGMCSEKRKCIIAEDNGLNLAFTIAHEMGHNMGINHDNDHPSCADGLHIMSGEWIKGQNLGDVSWSRCSKEDLERFLRSKASNCLLQTNPQSVNSVMVPSKLPGMTYTADEQCQILFGPLASFCQEMQHVICTGLWCKVEGEKECKTKLDPPMDGTDCDPGKWCKAGECTSRTSAPEHLAGEWSLWSPCSRTCSAGISSRERKCPGLGSEARDCNGPRKQYRICENPPCPAGLPGFRDWQCQAYSVRTSSPKHVLQWQAVLDEEKPCALFCSPIGKEQPILLSEKVMDGTSCGYQGLDICANGRCQKVGCDGLLGSLAREDHCGVCNGNGKSCKIIKGDFNHTRGAGYVEVLVIPAGARRIKVVEEKPAHSYLALRDAGKQSINSDWKIEHSGAFNLAGTTVHYVRRGLWEKISAKGPTTAPLHLLVLLFQDQNYGLHYEYTIPSDPLPENQSSKAPEPLFMWTHTSWEDCDATCGGGERKTTVSCTKIMSKNISIVDNKKCKYLTKPEPQIRKCNEQPCQTRWMMTEWTPCSRTCGKGMQSRQVACTQQLSNGTLIRARERDCIGPKPASAQRCEGQDCMTVWEAGVWSECSVKCGKGVRHRTVRCTNPRKKCVLSTRPREAEDCEDYSKCYVWRMGDWSKAILLRMIDIMDTGRCENTIEFQERVEDLGLEECSITCGKGMQSRVIQCMHKITGRHGNECFSSEKPAAYRPCHLQPCNEKINVNTITSPRLAALTFKCLGDQWPVYCRVIREKNLCQDMRWYQRCCETCRDFYAQKLQQKS
					

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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	29.7	Very low	32.3	Very low	256 Å²	256	160.1 Å²	160.1	100%	1.261	79%	0.789	S	S	*	*				0	148.3	0	-57.8	-178.8	-176	0	0	106.7
2	G	30.6	Very low	31.8	Very low	74 Å²	74	160.3 Å²	160.3	76%	0.763	79%	0.792	S	S	*	*			cis	165.5	-178	2.8	0	0	0	0	0	107.3
3	K	30.8	Very low	31.2	Very low	195 Å²	195	156 Å²	156	85%	0.848	79%	0.786	S	S	*	*			cis	-172.1	-178	-13	-144	179.7	-172.7	176.1	0	107.4
4	N	37.7	Very low	30.8	Very low	122 Å²	122	152.2 Å²	152.2	65%	0.652	78%	0.779	S	S	*	*			trans	77	137.8	166.8	-58.2	-6.2	0	0	0	116.2
5	R	38.5	Very low	30.3	Very low	163 Å²	163	149.5 Å²	149.5	62%	0.615	78%	0.777	S	S	*	*			cis	73.8	96.5	4.9	-165.9	-176.6	-169.2	169.3	14.3	116.9
6	E	45.2	Very low	29.9	Very low	197 Å²	197	147.1 Å²	147.1	92%	0.921	78%	0.776	S	S	*	*	S	Bend	trans	-58.6	133.1	146	-64	-177.2	128.7	0	0	108.6
7	M	37.7	Very low	29.6	Very low	158 Å²	158	146.9 Å²	146.9	78%	0.778	78%	0.775	S	S	*	*			trans	-75.2	147.9	-146.4	-62.1	-155.9	-168.7	0	0	115.8
8	R	26.2	Very low	29.4	Very low	187 Å²	187	146.6 Å²	146.6	71%	0.706	77%	0.773	S	S	*	*			trans	23.2	137	147.1	-79.8	179.2	162.7	-170.1	-4.8	119.1
9	L	25	Very low	29.1	Very low	129 Å²	129	149.3 Å²	149.3	68%	0.675	77%	0.773	S	S	*	*				-166.7	162.9	51.3	-152.9	73.9	0	0	0	113.1
10	T	26.7	Very low	28.8	Very low	105 Å²	105	148.6 Å²	148.6	64%	0.644	77%	0.766	S	S	*	*			trans	-1.1	158.2	157.1	51.5	0	0	0	0	122.9
11	H	27.5	Very low	28.6	Very low	175 Å²	175	148.5 Å²	148.5	81%	0.81	77%	0.766	S	S	*	*			cis	-178.7	-164.9	-20.5	-137.2	-94.2	0	0	0	107.5
12	I	26	Very low	28.3	Very low	163 Å²	163	139.5 Å²	139.5	84%	0.836	74%	0.738	S	S	*	*			trans	83.3	149.5	168.4	-60.5	160.8	0	0	0	115.4
13	C	24.5	Very low	27.9	Very low	104 Å²	104	144.9 Å²	144.9	70%	0.703	74%	0.741	S	S	*	*			cis	-174.6	168.8	-33.4	-158.9	0	0	0	0	111.4
14	C	24.6	Very low	27.7	Very low	103 Å²	103	142.6 Å²	142.6	70%	0.696	74%	0.737	S	S	*	*			trans	63.3	117.3	151.3	-84	0	0	0	0	124.4
15	C	24.2	Very low	27.2	Very low	111 Å²	111	141.4 Å²	141.4	75%	0.75	74%	0.739	S	S	*	*				60.1	129.4	113	-61.1	0	0	0	0	125.5
16	C	23.5	Very low	26.7	Very low	111 Å²	111	141.3 Å²	141.3	75%	0.75	75%	0.75	S	S	*	*			trans	88.8	123.3	130.4	-74.3	0	0	0	0	124.6
17	L	24.1	Very low	25.7	Very low	145 Å²	145	135 Å²	135	76%	0.759	74%	0.738	S	S	*	*			trans	76.3	120.9	134.7	-63.2	169.5	0	0	0	123.5
18	L	26.6	Very low	25.2	Very low	141 Å²	141	136 Å²	136	74%	0.738	75%	0.745	S	S	*	*			trans	57.7	123.5	131.1	-66.5	175.5	0	0	0	124.1
19	Y	23.3	Very low	25.1	Very low	197 Å²	197	133 Å²	133	77%	0.773	75%	0.747	S	S	*	*			trans	69.7	124.7	132.9	-96.5	-132.6	0	0	0	123.5
20	Q	23.5	Very low	25	Very low	136 Å²	136	132.8 Å²	132.8	64%	0.636	76%	0.756	S	S	*	*			trans	78.5	126.2	137.7	-60.1	-78.2	-40.4	0	0	123.3
21	L	24.9	Very low	24.9	Very low	147 Å²	147	136.2 Å²	136.2	77%	0.77	77%	0.765	S	S	*	*			trans	71.5	146.7	137.5	-66.8	168.7	0	0	0	123.5
22	G	23.1	Very low	24.7	Very low	66 Å²	66	135.3 Å²	135.3	68%	0.68	77%	0.765	S	S	*	*			trans	112.1	108.5	176.5	0	0	0	0	0	111.9
23	F	23.1	Very low	24.6	Very low	188 Å²	188	135.3 Å²	135.3	83%	0.825	76%	0.762	S	S	*	*			cis	56.8	132.5	43.8	-67.5	-61.3	0	0	0	113.1
24	L	26.4	Very low	24.6	Very low	147 Å²	147	140.4 Å²	140.4	77%	0.77	77%	0.772	S	S	*	*			cis	-158.9	175.5	17.6	-129	175.9	0	0	0	112.2
25	S	26.9	Very low	24.7	Very low	97 Å²	97	140 Å²	140	68%	0.678	78%	0.777	S	S	*	*			trans	71.7	147.2	162.6	75.6	0	0	0	0	118.6
26	N	26.9	Very low	25.2	Very low	160 Å²	160	140 Å²	140	86%	0.856	78%	0.775	S	S	*	*			cis	-156.8	153.8	-17.3	-94.2	-12.7	0	0	0	106.4
27	G	25	Very low	25.7	Very low	65 Å²	65	138.5 Å²	138.5	67%	0.67	76%	0.759	S	S	*	*			cis	147.3	133.2	-4.8	0	0	0	0	0	111.7
28	I	26.4	Very low	26.4	Very low	178 Å²	178	139.4 Å²	139.4	91%	0.913	75%	0.753	S	S	*	*			trans	-170.6	147.7	152.1	-100.6	156.6	0	0	0	107.2
29	V	24.2	Very low	27.2	Very low	126 Å²	126	136.8 Å²	136.8	76%	0.764	74%	0.737	S	S	*	*			trans	-130.5	139.6	-167.9	173.3	0	0	0	0	110.5
30	S	23.1	Very low	28.2	Very low	123 Å²	123	132.1 Å²	132.1	86%	0.86	72%	0.722	S	S	*	*			trans	-158.6	145	139.6	-97.1	0	0	0	0	109.2
31	E	24.9	Very low	29.2	Very low	178 Å²	178	131.2 Å²	131.2	83%	0.832	71%	0.713	S	S	*	*			trans	-83.6	155.2	-171.2	-59.8	157.2	106	0	0	112.5
32	L	23.6	Very low	30.3	Very low	155 Å²	155	132 Å²	132	81%	0.812	71%	0.712	S	S	*	*			trans	-150.3	109.4	139.6	-138.2	82	0	0	0	111.7
33	Q	23.9	Very low	31.2	Very low	163 Å²	163	129.6 Å²	129.6	76%	0.762	69%	0.685	S	S	*	*			trans	39.8	113.6	148.5	-68.4	157.7	-32	0	0	120.2	A35	Q33-A35 PolarHBondContact O-N 3.12Å
34	F	24.8	Very low	32.2	Very low	212 Å²	212	126.1 Å²	126.1	93%	0.93	68%	0.679	S	S	*	*			trans	-63.2	125.5	151	-98.5	-97.2	0	0	0	110.2
35	A	26.1	Very low	32.9	Very low	95 Å²	95	120 Å²	120	79%	0.785	65%	0.646	S	S	*	*			trans	-91.3	122.1	163.9	0	0	0	0	0	109.9	Q33	Q33-A35 PolarHBondContact O-N 3.12Å
36	P	33.9	Very low	33.3	Very low	111 Å²	111	119.6 Å²	119.6	72%	0.721	64%	0.641	S	S	*	*			trans	-89.4	-174.8	-179.7	36.3	-36.2	0	0	0	113.2
37	D	35.3	Very low	33.5	Very low	78 Å²	78	113.6 Å²	113.6	42%	0.417	61%	0.614	S	S	.	*			trans	74.4	42.8	159.2	-84.9	42.7	0	0	0	119.8	K282	D37-K282 HydrophobicContact CB-CD 4.22Å; D37-K282 WeakPolarHBondContact OD2-CD 3.45Å; D37-K282 WeakPolarHBondContact OD2-CE 3.48Å; D37-K282 IonicContact OD2-NZ 3.45Å; D37-K282 PolarHBondContact OD2-NZ 2.97Å
38	R	38.3	Very low	33.9	Very low	164 Å²	164	116.1 Å²	116.1	62%	0.619	61%	0.611	S	S	*	*			trans	-97.9	108.4	138.4	-82.4	-164.7	177.3	-153.5	3.8	110.4	E40	R38-E40 IonicContact NH1-OE1 2.73Å; R38-E40 PolarHBondContact NH1-OE1 3.25Å
39	E	44.3	Very low	34.2	Very low	86 Å²	86	115.4 Å²	115.4	40%	0.402	60%	0.597	S	S	.	*			trans	-94.7	111.1	162.9	-67.4	-176.9	115.9	0	0	107.9	F178 R280	E39-F178 WeakPolarHBondContact O-CE1 3.39Å; E39-R280 IonicContact OE2-CZ 2.71Å; E39-R280 IonicContact OE2-NH1 2.98Å; E39-R280 PolarHBondContact OE2-NH1 3.24Å; E39-R280 IonicContact OE2-NH2 3.7Å; E39-R280 PolarHBondContact OE2-NH2 3.27Å
40	E	44.7	Very low	34.4	Very low	100 Å²	100	117.2 Å²	117.2	47%	0.467	59%	0.591	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.3	136.5	175.2	-62.5	-170.8	178.9	0	0	109.6	R38	R38-E40 IonicContact NH1-OE1 2.73Å; R38-E40 PolarHBondContact NH1-OE1 3.25Å
41	W	44	Very low	34.8	Very low	116 Å²	116	121.4 Å²	121.4	44%	0.439	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.8	130.1	-178.1	-73.6	72.5	0	0	0	110.8	V43 F178 V278	W41-V43 HydrophobicContact CB-CG2 4.43Å; W41-F178 AromaticContact CD1-CD1 3.58Å; W41-F178 AromaticContact CD1-CE1 3.64Å; W41-F178 HydrophobicContact CG-CD1 4.41Å; W41-F178 HydrophobicContact CG-CE1 4.41Å; W41-F178 AromaticContact NE1-CD1 3.9Å; W41-V278 PolarHBondContact N-O 3.05Å; W41-V278 PolarHBondContact O-N 3.23Å
42	E	46.6	Very low	34.9	Very low	163 Å²	163	118.8 Å²	118.8	76%	0.762	58%	0.575	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.1	123.5	168.9	-65	-171.1	157.8	0	0	109.8
43	V	44	Very low	35	Very low	16 Å²	16	116.3 Å²	116.3	10%	0.097	57%	0.569	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.7	102	-177.3	-168.3	0	0	0	0	110.2	W41 F45 P176 H276 V278	W41-V43 HydrophobicContact CB-CG2 4.43Å; V43-F45 HydrophobicContact CB-CD1 4.41Å; V43-F45 HydrophobicContact CG1-CD1 3.9Å; V43-F45 PolarHBondContact O-N 3.2Å; V43-P176 HydrophobicContact CG1-CG 3.83Å; V43-P176 WeakPolarHBondContact CG1-O 3.03Å; V43-P176 WeakPolarHBondContact CG2-O 3.49Å; V43-H276 PolarHBondContact N-O 2.81Å; V43-H276 PolarHBondContact O-N 3.32Å; V43-V278 HydrophobicContact CB-CG2 4.11Å; V43-V278 HydrophobicContact CG2-CB 4.09Å; V43-V278 HydrophobicContact CG2-CG2 3.87Å
44	V	42.5	Very low	35.2	Very low	116 Å²	116	114.9 Å²	114.9	70%	0.703	57%	0.571	S	S	*	*			trans	-84.6	97.2	172.5	-169.5	0	0	0	0	109	P275	V44-P275 HydrophobicContact CG2-CB 4.18Å
45	F	42.3	Very low	35.4	Very low	17 Å²	17	111.7 Å²	111.7	8%	0.075	56%	0.563	C	S	.	*			trans	-116.6	131.8	172.6	64.8	-94.7	0	0	0	111.4	V43 A47 L249 H276	V43-F45 HydrophobicContact CB-CD1 4.41Å; V43-F45 HydrophobicContact CG1-CD1 3.9Å; V43-F45 PolarHBondContact O-N 3.2Å; F45-A47 PolarHBondContact O-N 2.78Å; F45-L249 HydrophobicContact CZ-CD2 4.47Å; F45-H276 HydrophobicContact CE1-CB 3.81Å; F45-H276 AromaticContact CE1-CG 3.82Å; F45-H276 AromaticContact CE1-ND1 3.61Å; F45-H276 AromaticContact CE2-CE1 3.99Å; F45-H276 AromaticContact CE2-ND1 3.87Å; F45-H276 HydrophobicContact CZ-CB 4.17Å; F45-H276 AromaticContact CZ-CE1 3.79Å; F45-H276 AromaticContact CZ-CG 3.69Å; F45-H276 AromaticContact CZ-ND1 3.36Å; F45-H276 WeakPolarHBondContact CZ-ND1 3.5Å
46	P	34.6	Very low	35.9	Very low	89 Å²	89	113.7 Å²	113.7	58%	0.578	57%	0.566	S	S	*	*			trans	-70.2	123.6	170.5	29.2	-32.2	0	0	0	108.8	L48	P46-L48 HydrophobicContact CB-CD1 4.4Å; P46-L48 HydrophobicContact CB-CG 4.37Å; P46-L48 HydrophobicContact CG-CD1 4.49Å; P46-L48 PolarHBondContact O-N 3.39Å
47	A	31.8	Very low	35.7	Very low	35 Å²	35	113.1 Å²	113.1	29%	0.289	57%	0.571	S	S	.	*			trans	-71	62.7	173.9	0	0	0	0	0	111.8	F45	F45-A47 PolarHBondContact O-N 2.78Å
48	L	33.6	Very low	35.3	Very low	117 Å²	117	113.9 Å²	113.9	61%	0.613	60%	0.597	S	S	*	*			trans	-88.2	102.7	171.6	-76.8	171.1	0	0	0	109	P46 R50	P46-L48 HydrophobicContact CB-CD1 4.4Å; P46-L48 HydrophobicContact CB-CG 4.37Å; P46-L48 HydrophobicContact CG-CD1 4.49Å; P46-L48 PolarHBondContact O-N 3.39Å; L48-R50 PolarHBondContact O-N 2.03Å
49	W	31.8	Very low	34.9	Very low	164 Å²	164	109.3 Å²	109.3	62%	0.621	60%	0.6	S	S	*	*			trans	-67.3	89.2	175.7	-65.8	63.7	0	0	0	109.7	V171	W49-V171 HydrophobicContact CE3-CG1 3.69Å; W49-V171 HydrophobicContact CE3-CG2 4.34Å; W49-V171 HydrophobicContact CH2-CG1 4.24Å; W49-V171 HydrophobicContact CZ3-CB 4.23Å; W49-V171 HydrophobicContact CZ3-CG1 3.44Å; W49-V171 VanDerWaalsContact CZ3-CG1 3.44Å; W49-V171 HydrophobicContact CZ3-CG2 3.7Å
50	R	29.5	Very low	34.2	Very low	164 Å²	164	111.1 Å²	111.1	62%	0.619	62%	0.623	S	S	*	*			trans	-87.7	114.4	173.6	-64.2	-160.7	-174.1	-171	1.3	110.7	L48 E52	L48-R50 PolarHBondContact O-N 2.03Å; R50-E52 HydrophobicContact CB-CG 3.8Å; R50-E52 WeakPolarHBondContact CD-OE1 2.74Å; R50-E52 HydrophobicContact CG-CG 4.48Å; R50-E52 IonicContact CZ-OE1 3.17Å; R50-E52 IonicContact NE-OE1 3.84Å; R50-E52 IonicContact NH1-OE1 3.47Å; R50-E52 PolarHBondContact NH1-OE1 2.99Å; R50-E52 PolarHBondContact O-N 3.44Å
51	R	30.4	Very low	33.4	Very low	211 Å²	211	110.6 Å²	110.6	80%	0.796	64%	0.644	S	S	*	*			trans	-74.5	100.9	145.4	-79.3	-175.4	171.2	178.5	-2.4	107.1	G168	R51-G168 PolarHBondContact NH2-O 3.09Å
52	E	26.6	Very low	32.6	Very low	122 Å²	122	108.8 Å²	108.8	57%	0.57	66%	0.661	S	S	*	*			trans	-101	142.1	161.9	-56.5	-152.3	147.4	0	0	109	R50	R50-E52 HydrophobicContact CB-CG 3.8Å; R50-E52 WeakPolarHBondContact CD-OE1 2.74Å; R50-E52 HydrophobicContact CG-CG 4.48Å; R50-E52 IonicContact CZ-OE1 3.17Å; R50-E52 IonicContact NE-OE1 3.84Å; R50-E52 IonicContact NH1-OE1 3.47Å; R50-E52 PolarHBondContact NH1-OE1 2.99Å; R50-E52 PolarHBondContact O-N 3.44Å
53	P	26.9	Very low	31.8	Very low	104 Å²	104	107 Å²	107	68%	0.675	67%	0.667	S	S	*	*			trans	-68.7	143.6	175.2	29.8	-34.4	0	0	0	110.8	D55	P53-D55 PolarHBondContact O-N 2.92Å; P53-D55 VanDerWaalsContact O-N 3.13Å
54	V	28.4	Very low	31	Very low	133 Å²	133	111 Å²	111	81%	0.806	70%	0.701	S	S	*	*			trans	-86.2	79.4	177	-175.9	0	0	0	0	109.5
55	D	28.9	Very low	30.1	Very low	145 Å²	145	112.9 Å²	112.9	78%	0.775	71%	0.707	S	S	*	*			trans	-77.1	124.9	173.6	-85.6	-41.7	0	0	0	111.8	P53 A57	P53-D55 PolarHBondContact O-N 2.92Å; P53-D55 VanDerWaalsContact O-N 3.13Å; D55-A57 PolarHBondContact O-N 3.07Å
56	T	35.3	Very low	30.2	Very low	137 Å²	137	117.5 Å²	117.5	84%	0.84	74%	0.739	S	S	*	*			trans	-87.9	95.1	-176.8	53.4	0	0	0	0	112.1
57	A	30.1	Very low	29.8	Very low	99 Å²	99	116.7 Å²	116.7	82%	0.818	75%	0.747	S	S	*	*			trans	-146.5	91.7	172	0	0	0	0	0	113.4	D55	D55-A57 PolarHBondContact O-N 3.07Å
58	G	27.9	Very low	29.5	Very low	94 Å²	94	121.2 Å²	121.2	97%	0.969	76%	0.757	S	S	*	*			trans	-97.4	101.5	166.7	0	0	0	0	0	111.1
59	G	29.2	Very low	29	Very low	67 Å²	67	121.1 Å²	121.1	69%	0.691	76%	0.76	S	S	*	*			trans	-151.6	105.3	-176.7	0	0	0	0	0	114.4
60	S	29.9	Very low	28.7	Very low	125 Å²	125	124.2 Å²	124.2	87%	0.874	77%	0.772	S	S	*	*			trans	39.7	95.8	158.9	56.3	0	0	0	0	118.5
61	G	28	Very low	28.5	Very low	89 Å²	89	118.6 Å²	118.6	92%	0.918	77%	0.765	S	S	*	*			trans	-80.8	143.9	164.5	0	0	0	0	0	112.8
62	G	27.2	Very low	28.3	Very low	77 Å²	77	115.3 Å²	115.3	79%	0.794	77%	0.768	S	S	*	*			trans	-153.8	75.9	-173.4	0	0	0	0	0	116.3
63	S	28	Very low	28.3	Very low	127 Å²	127	112.5 Å²	112.5	89%	0.888	77%	0.772	S	S	*	*			trans	64.8	153.3	154.4	-149.1	0	0	0	0	121.8
64	A	28	Very low	28.4	Very low	98 Å²	98	112.2 Å²	112.2	81%	0.81	78%	0.778	S	S	*	*			trans	72.5	103.8	158.8	0	0	0	0	0	121.3
65	D	24.5	Very low	28.3	Very low	156 Å²	156	109.9 Å²	109.9	83%	0.834	78%	0.781	S	S	*	*			trans	-94.2	-179.9	154	-151.1	15.8	0	0	0	108.6
66	P	43.9	Very low	28.3	Very low	115 Å²	115	106.6 Å²	106.6	75%	0.747	78%	0.781	S	S	*	*			cis	-130.4	176.2	-18	39.1	-22.6	0	0	0	115.2
67	G	25	Very low	27.9	Very low	71 Å²	71	106.4 Å²	106.4	73%	0.732	79%	0.785	S	S	*	*			trans	-166.9	70.5	179.6	0	0	0	0	0	122.1
68	W	26.3	Very low	27.9	Very low	131 Å²	131	105.3 Å²	105.3	50%	0.496	78%	0.776	S	S	.	*			trans	57.2	89.8	146	-76.4	48.1	0	0	0	122.9	W1207 R1228	W68-W1207 HydrophobicContact CD2-CZ2 4.42Å; W68-W1207 AromaticContact CE2-CE2 3.73Å; W68-W1207 AromaticContact CE2-CH2 3.82Å; W68-W1207 AromaticContact CE2-CZ2 3.55Å; W68-W1207 AromaticContact CH2-CE2 3.9Å; W68-W1207 HydrophobicContact CH2-CZ2 4.28Å; W68-W1207 AromaticContact CH2-NE1 3.54Å; W68-W1207 AromaticContact CZ2-CD1 3.74Å; W68-W1207 AromaticContact CZ2-CD2 3.62Å; W68-W1207 HydrophobicContact CZ2-CD2 3.62Å; W68-W1207 AromaticContact CZ2-CE2 3.19Å; W68-W1207 HydrophobicContact CZ2-CE3 4.24Å; W68-W1207 HydrophobicContact CZ2-CG 4.01Å; W68-W1207 HydrophobicContact CZ2-CH2 4.16Å; W68-W1207 AromaticContact CZ2-CZ2 3.52Å; W68-W1207 HydrophobicContact CZ2-CZ2 3.52Å; W68-W1207 HydrophobicContact CZ2-CZ3 4.48Å; W68-W1207 AromaticContact CZ2-NE1 3.29Å; W68-W1207 VanDerWaalsContact CZ2-NE1 3.29Å; W68-W1207 AromaticContact NE1-CE2 3.98Å; W68-W1207 AromaticContact NE1-CE3 3.94Å; W68-W1207 AromaticContact NE1-CH2 3.32Å; W68-W1207 VanDerWaalsContact NE1-CH2 3.32Å; W68-W1207 AromaticContact NE1-CZ2 3.58Å; W68-W1207 AromaticContact NE1-CZ3 3.51Å; W68-R1228 VanDerWaalsContact CZ3-NH1 3.28Å
69	V	24	Very low	27.8	Very low	114 Å²	114	112.4 Å²	112.4	69%	0.691	77%	0.774	S	S	*	*				39.8	117.3	100.4	-175.5	0	0	0	0	121.7
70	R	25.2	Very low	27.7	Very low	230 Å²	230	112.8 Å²	112.8	87%	0.868	77%	0.77	S	S	*	*			trans	59.4	159	150	-64	170.2	-176	-175.7	0.5	119.8
71	G	25.5	Very low	27.5	Very low	45 Å²	45	115.6 Å²	115.6	46%	0.464	77%	0.77	S	S	.	*			cis	157.9	150.6	-11.3	0	0	0	0	0	114.6
72	V	26.1	Very low	27.4	Very low	143 Å²	143	116.2 Å²	116.2	87%	0.867	77%	0.766	S	S	*	*			trans	65.1	147.5	160.1	-166.1	0	0	0	0	118.1
73	G	26.5	Very low	27.2	Very low	63 Å²	63	117.3 Å²	117.3	65%	0.649	77%	0.768	S	S	*	*			cis	162.2	159.7	-13.6	0	0	0	0	0	115.2
74	A	27.7	Very low	27.1	Very low	98 Å²	98	114.9 Å²	114.9	81%	0.81	76%	0.763	S	S	*	*			trans	65.4	155.7	173.1	0	0	0	0	0	118.4
75	G	27.7	Very low	26.9	Very low	84 Å²	84	115.7 Å²	115.7	87%	0.866	76%	0.762	S	S	*	*			cis	134.8	143.3	-6.3	0	0	0	0	0	112.9
76	G	28	Very low	27	Very low	76 Å²	76	112.9 Å²	112.9	78%	0.784	76%	0.755	S	S	*	*			cis	167.5	-173.3	-2.1	0	0	0	0	0	112.6
77	S	27.6	Very low	26.3	Very low	132 Å²	132	118.1 Å²	118.1	92%	0.923	76%	0.76	S	S	*	*			trans	82.6	160.9	176.3	-129	0	0	0	0	116.8
78	A	29.1	Very low	26.4	Very low	76 Å²	76	122.5 Å²	122.5	63%	0.628	76%	0.762	S	S	*	*			cis	-158.2	156	7.8	0	0	0	0	0	115.8
79	R	27.1	Very low	26.3	Very low	243 Å²	243	121.9 Å²	121.9	92%	0.917	77%	0.772	S	S	*	*			trans	60.2	163.6	149.8	-75.9	178	168.7	169.4	-4.4	119.4
80	A	27.1	Very low	26.5	Very low	75 Å²	75	127.4 Å²	127.4	62%	0.62	78%	0.78	S	S	*	*			cis	-146.1	144	1.9	0	0	0	0	0	110.6
81	Q	25.5	Very low	26.6	Very low	185 Å²	185	121.6 Å²	121.6	86%	0.864	78%	0.775	S	S	*	*				86.4	152.5	95.3	-78.3	-175.5	-38.8	0	0	119.1
82	A	25.4	Very low	26.6	Very low	101 Å²	101	126.4 Å²	126.4	84%	0.835	80%	0.795	S	S	*	*			trans	74.3	154.5	163.1	0	0	0	0	0	119.8
83	A	23.6	Very low	26.7	Very low	100 Å²	100	123.4 Å²	123.4	83%	0.826	79%	0.785	S	S	*	*			cis	-172.6	163	-27.3	0	0	0	0	0	111.8
84	G	25.5	Very low	27.6	Very low	76 Å²	76	126.6 Å²	126.6	78%	0.784	80%	0.795	S	S	*	*			trans	82.2	141.4	166.1	0	0	0	0	0	115.9
85	S	24	Very low	27.8	Very low	115 Å²	115	128.2 Å²	128.2	80%	0.804	79%	0.794	S	S	*	*			cis	81.1	105.1	7.4	-163.6	0	0	0	0	119.4
86	S	27.2	Very low	28.8	Very low	98 Å²	98	129.3 Å²	129.3	69%	0.685	79%	0.786	S	S	*	*				163.7	133.5	121.6	-78.1	0	0	0	0	116.7
87	R	29	Very low	28.9	Very low	224 Å²	224	132.6 Å²	132.6	85%	0.845	79%	0.785	S	S	*	*			trans	62.1	170.4	146.9	-60.4	176.9	175.2	-176	-2.7	118.3
88	E	25.8	Very low	28.9	Very low	164 Å²	164	134.2 Å²	134.2	77%	0.766	78%	0.777	S	S	*	*			cis	-125.1	165.4	-4.9	-80.8	-162.9	154.7	0	0	109.9
89	V	25.4	Very low	28.9	Very low	117 Å²	117	137.9 Å²	137.9	71%	0.709	79%	0.787	S	S	*	*			cis	104.5	84.2	12.8	-179.2	0	0	0	0	116.7
90	R	26.8	Very low	29.9	Very low	231 Å²	231	131.5 Å²	131.5	87%	0.872	78%	0.777	S	S	*	*			trans	-179.3	128.1	148.4	-101.3	164.3	176.4	169.3	0.8	110.6
91	S	27.4	Very low	29.9	Very low	108 Å²	108	134.3 Å²	134.3	76%	0.755	79%	0.786	S	S	*	*				71.6	141.9	83.2	-48.1	0	0	0	0	113.4
92	V	26	Very low	30.1	Very low	145 Å²	145	134.7 Å²	134.7	88%	0.879	79%	0.788	S	S	*	*			cis	-149.7	169	34.3	-177.9	0	0	0	0	111.3
93	A	28.7	Very low	30.2	Very low	81 Å²	81	133.4 Å²	133.4	67%	0.669	79%	0.785	S	S	*	*			trans	-99.9	-177.2	175.3	0	0	0	0	0	113.6
94	P	46.1	Very low	30.5	Very low	130 Å²	130	139.3 Å²	139.3	84%	0.844	79%	0.785	S	S	*	*				-149.5	-164.6	79.7	40	-18.8	0	0	0	115.8
95	V	30.3	Very low	30.7	Very low	131 Å²	131	139.7 Å²	139.7	79%	0.794	78%	0.776	S	S	*	*			trans	-141.5	146.9	-168.1	168.2	0	0	0	0	110.4
96	P	49.2	Very low	31.2	Very low	107 Å²	107	141.3 Å²	141.3	70%	0.695	77%	0.771	S	S	*	*				-154.7	145	119.9	36.5	-17.3	0	0	0	118.7
97	L	29.6	Very low	31.4	Very low	145 Å²	145	141.5 Å²	141.5	76%	0.759	77%	0.772	S	S	*	*			trans	49.9	151.7	133.9	-49.9	173.4	0	0	0	121.3
98	E	28.3	Very low	31.6	Very low	166 Å²	166	141 Å²	141	78%	0.776	77%	0.77	S	S	*	*			cis	-160.5	-179.4	-4.6	-124.2	166.8	-168	0	0	111.2
99	D	28.3	Very low	31.8	Very low	153 Å²	153	139.7 Å²	139.7	82%	0.818	77%	0.768	S	S	*	*			trans	-77.6	-168	179.8	-61.5	-74.4	0	0	0	114.1
100	P	48	Very low	32	Very low	110 Å²	110	144.8 Å²	144.8	71%	0.714	77%	0.774	S	S	*	*			cis	-144.1	166.8	-0	44.9	-25.3	0	0	0	120
101	V	28.4	Very low	33.1	Very low	133 Å²	133	139 Å²	139	81%	0.806	77%	0.767	S	S	*	*			trans	43.5	136.3	132.4	-175.1	0	0	0	0	124.8
102	E	28.5	Very low	34.5	Very low	193 Å²	193	139.4 Å²	139.4	90%	0.902	77%	0.767	S	S	*	*			trans	78.5	131	154.6	-91.7	-170.1	171.2	0	0	125.4
103	G	28.8	Very low	36.5	Very low	75 Å²	75	138 Å²	138	77%	0.773	76%	0.76	S	S	*	*			trans	91.1	160.2	137.9	0	0	0	0	0	119.6
104	R	29.3	Very low	37.6	Very low	223 Å²	223	139.2 Å²	139.2	84%	0.842	76%	0.762	S	S	*	*			cis	-173.4	148.3	-18.9	-154.3	-166.1	169.1	165.7	-3	110.1
105	S	30.6	Very low	36.9	Very low	84 Å²	84	137.2 Å²	137.2	59%	0.587	75%	0.751	S	S	*	*			trans	49.8	162.7	140.9	57.5	0	0	0	0	121.9
106	E	33.6	Very low	36.9	Very low	149 Å²	149	140.4 Å²	140.4	70%	0.696	76%	0.757	S	S	*	*			cis	-163.3	167.3	-9	-113.9	174.2	135.7	0	0	107.6
107	S	31.6	Very low	36.1	Very low	102 Å²	102	138.3 Å²	138.3	71%	0.713	76%	0.755	S	S	*	*				153.9	159.4	96.4	51	0	0	0	0	108.1
108	R	33.3	Very low	36	Very low	213 Å²	213	140.7 Å²	140.7	80%	0.804	76%	0.763	S	S	*	*			cis	-173.1	162.1	-4.9	-105.2	170.7	-165.8	178.3	3.9	105.7
109	L	29.6	Very low	36.2	Very low	137 Å²	137	141.1 Å²	141.1	72%	0.717	77%	0.765	S	S	*	*			cis	-149.6	148	3.2	-97	162.3	0	0	0	106.3
110	R	30.6	Very low	36.1	Very low	224 Å²	224	140.8 Å²	140.8	85%	0.845	76%	0.763	S	S	*	*				50.6	148.4	90	-81.5	-165.5	177	-157.9	-0.3	118
111	P	48.4	Very low	35.2	Very low	111 Å²	111	143 Å²	143	72%	0.721	76%	0.764	S	S	*	*			cis	-132.4	-142.7	-22	42.5	-21	0	0	0	112.3
112	P	57.7	Low	35	Very low	115 Å²	115	143.8 Å²	143.8	75%	0.747	76%	0.759	S	S	*	*				-126.1	-142.5	-124.2	39.4	-13	0	0	0	115.8
113	P	67.6	Low	35	Very low	115 Å²	115	140.6 Å²	140.6	75%	0.747	75%	0.747	S	S	*	*				-113.7	-155.6	-124.2	40.7	-17.8	0	0	0	112.5
114	P	51.9	Low	35	Very low	108 Å²	108	145 Å²	145	70%	0.701	75%	0.748	S	S	*	*			cis	-144.1	-172.2	4	40.4	-16.8	0	0	0	118.7
115	S	31.9	Very low	35.1	Very low	88 Å²	88	139.3 Å²	139.3	62%	0.615	74%	0.742	S	S	*	*			trans	62.2	134.3	143.8	59.5	0	0	0	0	124.6
116	E	29.1	Very low	35.2	Very low	197 Å²	197	143.2 Å²	143.2	92%	0.921	75%	0.751	S	S	*	*			trans	65.8	152.4	151.1	-69.1	161	-154.9	0	0	118.9
117	G	32.7	Very low	35	Very low	64 Å²	64	142.6 Å²	142.6	66%	0.66	75%	0.748	S	S	*	*			cis	156.7	83.7	-12.5	0	0	0	0	0	115.6
118	E	28.7	Very low	34.9	Very low	195 Å²	195	144.2 Å²	144.2	91%	0.911	75%	0.748	S	S	*	*			trans	67.7	155.1	-179.2	-48.8	-177.6	140.5	0	0	112.9
119	E	31.6	Very low	35.2	Very low	175 Å²	175	139 Å²	139	82%	0.818	74%	0.741	S	S	*	*			cis	-123.2	-141.4	7	-62.9	178.5	102.6	0	0	111.5
120	D	27.1	Very low	35.3	Very low	146 Å²	146	144.4 Å²	144.4	78%	0.781	75%	0.752	S	S	*	*			trans	68	155.8	166.9	-58.6	-21.9	0	0	0	119.1
121	E	28.7	Very low	35.1	Very low	157 Å²	157	137.5 Å²	137.5	73%	0.734	75%	0.751	S	S	*	*			cis	-161.7	-176.8	-18.6	-117	-170.3	153.5	0	0	111.1
122	E	25	Very low	34.1	Very low	149 Å²	149	137.5 Å²	137.5	70%	0.696	75%	0.753	S	S	*	*			trans	38.3	124.6	142.9	-70.3	-136.3	123.6	0	0	122.9
123	L	28.1	Very low	32.7	Very low	126 Å²	126	137.6 Å²	137.6	66%	0.66	76%	0.757	S	S	*	*				92	95	89.1	-166	76.1	0	0	0	112.8
124	E	27.9	Very low	30.6	Very low	168 Å²	168	135.6 Å²	135.6	79%	0.785	76%	0.757	S	S	*	*				77.9	151.7	91	-168.6	168.6	-167.6	0	0	115.4
125	S	31.2	Very low	29.3	Very low	103 Å²	103	135.4 Å²	135.4	72%	0.72	77%	0.765	S	S	*	*			trans	94	140.5	178.6	82	0	0	0	0	116.4
126	Q	34.3	Very low	29.1	Very low	165 Å²	165	135.8 Å²	135.8	77%	0.771	77%	0.773	S	S	*	*			cis	-166.9	157.2	-12.2	-115	-172	-44.2	0	0	107.8
127	E	29.1	Very low	29.3	Very low	137 Å²	137	130.8 Å²	130.8	64%	0.64	77%	0.766	S	S	*	*			cis	-142.5	135.8	3.4	-94.7	-162.3	132.7	0	0	112.6
128	L	28.1	Very low	29	Very low	136 Å²	136	136.1 Å²	136.1	71%	0.712	78%	0.778	S	S	*	*				58.7	155.2	129.2	-55.9	178.9	0	0	0	123.2
129	P	40.7	Very low	29.2	Very low	103 Å²	103	132.1 Å²	132.1	67%	0.669	77%	0.772	S	S	*	*			cis	-139.6	160.3	-34.9	37.3	-21.1	0	0	0	115.9
130	R	30.8	Very low	29.6	Very low	251 Å²	251	130 Å²	130	95%	0.947	77%	0.773	S	S	*	*			trans	33	144.2	137.7	-60	178.2	177.6	171.2	-0.1	120.7
131	G	26.3	Very low	29.6	Very low	79 Å²	79	126.6 Å²	126.6	81%	0.814	77%	0.773	S	S	*	*			cis	-177	-152.8	15.5	0	0	0	0	0	115.2
132	S	28.6	Very low	29.6	Very low	110 Å²	110	123.7 Å²	123.7	77%	0.769	78%	0.775	S	S	*	*			trans	-116.3	158	-150.4	-168	0	0	0	0	115.7
133	S	27.3	Very low	30.5	Very low	117 Å²	117	122.4 Å²	122.4	82%	0.818	78%	0.78	S	S	*	*			trans	61.8	139	146.4	63.7	0	0	0	0	121.2
134	G	24.5	Very low	30.6	Very low	74 Å²	74	120.5 Å²	120.5	76%	0.763	78%	0.782	S	S	*	*			trans	150.6	90.3	147.5	0	0	0	0	0	118.7
135	A	24.7	Very low	30.7	Very low	104 Å²	104	118.2 Å²	118.2	86%	0.86	79%	0.785	S	S	*	*			trans	54	152.1	141.3	0	0	0	0	0	123.9
136	A	26.2	Very low	30.6	Very low	95 Å²	95	123.8 Å²	123.8	79%	0.785	79%	0.79	S	S	*	*			trans	53.5	110.6	145.8	0	0	0	0	0	121.8
137	A	34.7	Very low	30.4	Very low	93 Å²	93	122.1 Å²	122.1	77%	0.769	78%	0.782	S	S	*	*			trans	17.1	126.4	140.8	0	0	0	0	0	121.2
138	L	25.8	Very low	30.8	Very low	175 Å²	175	120.9 Å²	120.9	92%	0.916	79%	0.786	S	S	*	*				-175.2	141.1	120.2	-98.1	160	0	0	0	111.2
139	S	32	Very low	31.4	Very low	112 Å²	112	119.3 Å²	119.3	78%	0.783	78%	0.784	S	S	*	*			trans	-85.8	153.3	166.8	-46.6	0	0	0	0	109.5
140	P	41	Very low	30.8	Very low	131 Å²	131	120.1 Å²	120.1	85%	0.851	79%	0.789	S	S	*	*				-155.5	171.2	83.6	40.5	-21.9	0	0	0	117.3
141	G	27.5	Very low	31	Very low	74 Å²	74	113.2 Å²	113.2	76%	0.763	78%	0.777	S	S	*	*			trans	105.8	92.1	134.9	0	0	0	0	0	120.5
142	A	28.3	Very low	31.4	Very low	96 Å²	96	115.6 Å²	115.6	79%	0.793	78%	0.778	S	S	*	*			trans	-12	173.1	134.7	0	0	0	0	0	120.3
143	P	43.5	Very low	31.8	Very low	121 Å²	121	118.9 Å²	118.9	79%	0.786	78%	0.782	S	S	*	*			cis	-122.7	167.5	8.3	25.3	-2.1	0	0	0	114.6
144	A	31.2	Very low	32.3	Very low	86 Å²	86	118.6 Å²	118.6	71%	0.711	78%	0.777	S	S	*	*			cis	97.3	128.5	19	0	0	0	0	0	116.7
145	S	30.1	Very low	33.2	Very low	120 Å²	120	120.5 Å²	120.5	84%	0.839	78%	0.776	S	S	*	*			trans	-147	143.4	165	58.9	0	0	0	0	110.7
146	W	27.9	Very low	33.7	Very low	220 Å²	220	121.4 Å²	121.4	83%	0.833	77%	0.773	S	S	*	*			trans	-137.1	164.5	-161.6	-86.6	18.9	0	0	0	110.4
147	Q	30.5	Very low	34.2	Very low	130 Å²	130	121.7 Å²	121.7	61%	0.607	77%	0.769	S	S	*	*			cis	-147.3	-139.6	-0.8	-133.4	-165.9	55.4	0	0	106.9	P149	Q147-P149 VanDerWaalsContact OE1-CD 3.31Å
148	P	37.6	Very low	34.3	Very low	112 Å²	112	122.5 Å²	122.5	73%	0.727	77%	0.767	S	S	*	*			cis	-127.1	175.6	-13.7	28.6	-4.9	0	0	0	115.7
149	P	39.6	Very low	34.7	Very low	102 Å²	102	119.6 Å²	119.6	66%	0.662	76%	0.758	S	S	*	*			trans	-104.4	164.3	-178	40.1	-36.2	0	0	0	115.4	Q147	Q147-P149 VanDerWaalsContact OE1-CD 3.31Å
150	P	29.4	Very low	34.7	Very low	120 Å²	120	120.1 Å²	120.1	78%	0.779	76%	0.759	S	S	*	*				-145.6	-170.8	130	40.9	-27.3	0	0	0	112.6
151	P	35.3	Very low	34.1	Very low	106 Å²	106	118.4 Å²	118.4	69%	0.688	76%	0.756	S	S	*	*	P	Polyproline II helix		-102.5	173.4	-66.2	38.5	-28.2	0	0	0	111.2	Q153	P151-Q153 PolarHBondContact O-N 3.1Å
152	P	34.3	Very low	34.2	Very low	130 Å²	130	123.6 Å²	123.6	84%	0.844	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-65.2	127.6	178.8	26.3	-35.3	0	0	0	112.6
153	Q	36.3	Very low	34.2	Very low	179 Å²	179	125 Å²	125	84%	0.836	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-81.3	152.4	167.9	-71	-168.6	-5.5	0	0	111	P151	P151-Q153 PolarHBondContact O-N 3.1Å
154	P	38.9	Very low	33.6	Very low	111 Å²	111	123.6 Å²	123.6	72%	0.721	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-60.3	159.3	173.9	26.9	-35.6	0	0	0	111.5
155	P	42.6	Very low	33.5	Very low	114 Å²	114	128.2 Å²	128.2	74%	0.74	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-56	144.1	177	25.3	-35.1	0	0	0	110.5	S157	P155-S157 PolarHBondContact O-N 3.19Å
156	P	35.3	Very low	33.4	Very low	123 Å²	123	128 Å²	128	80%	0.799	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-56.9	130.5	175.8	25.6	-34	0	0	0	108.8
157	S	35.5	Very low	33.8	Very low	101 Å²	101	121.5 Å²	121.5	71%	0.706	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-51.5	142.8	165.9	51.3	0	0	0	0	108.8	P155	P155-S157 PolarHBondContact O-N 3.19Å
158	P	37.5	Very low	34.3	Very low	110 Å²	110	117.6 Å²	117.6	71%	0.714	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-52	144.5	173.9	24.8	-34.5	0	0	0	109.3
159	P	35.4	Very low	34.9	Very low	114 Å²	114	116.3 Å²	116.3	74%	0.74	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-52.9	137.4	177.9	23.9	-33.7	0	0	0	108.6	A161	P159-A161 PolarHBondContact O-N 2.97Å
160	P	30.6	Very low	35.5	Very low	122 Å²	122	114.8 Å²	114.8	79%	0.792	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-54	122.6	177	23.9	-33	0	0	0	107.3	Q162	P160-Q162 PolarHBondContact O-N 3.27Å
161	A	29.4	Very low	37.1	Very low	95 Å²	95	110.4 Å²	110.4	79%	0.785	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-54.4	121.2	-173.2	0	0	0	0	0	108.4	P159 P163	P159-A161 PolarHBondContact O-N 2.97Å; A161-P163 WeakPolarHBondContact O-CD 3.08Å
162	Q	29.3	Very low	38.4	Very low	183 Å²	183	109.3 Å²	109.3	86%	0.855	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-55.3	128.3	173	-72.4	-179.8	-29.5	0	0	107.2	P160 A164	P160-Q162 PolarHBondContact O-N 3.27Å; Q162-A164 PolarHBondContact O-N 3.44Å; Q162-A164 VanDerWaalsContact O-N 3.07Å
163	P	28.8	Very low	40	Very low	125 Å²	125	104.9 Å²	104.9	81%	0.812	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-55.7	120	166.9	-20.3	32.1	0	0	0	106.9	A161 E165	A161-P163 WeakPolarHBondContact O-CD 3.08Å; P163-E165 PolarHBondContact O-N 3.03Å
164	A	29.2	Very low	41.7	Very low	93 Å²	93	102.7 Å²	102.7	77%	0.769	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-62.6	132.7	171.1	0	0	0	0	0	107.9	Q162	Q162-A164 PolarHBondContact O-N 3.44Å; Q162-A164 VanDerWaalsContact O-N 3.07Å
165	E	29.3	Very low	43.2	Very low	183 Å²	183	97.4 Å²	97.4	86%	0.855	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-50.9	127.4	169.3	-74.7	-80.8	130.2	0	0	108.7	P163 D167	P163-E165 PolarHBondContact O-N 3.03Å; E165-D167 PolarHBondContact O-N 3.42Å
166	P	29.6	Very low	44	Very low	116 Å²	116	94.6 Å²	94.6	75%	0.753	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-69	125.1	-175.3	26.5	-33.3	0	0	0	110.9	G168	P166-G168 PolarHBondContact O-N 2.85Å
167	D	35.3	Very low	45.2	Very low	82 Å²	82	88.9 Å²	88.9	44%	0.439	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-56.3	132.2	-177.9	-162.1	-5.3	0	0	0	111.8	E165 D169 E170 R187	E165-D167 PolarHBondContact O-N 3.42Å; D167-D169 VanDerWaalsContact C-N 3.28Å; D167-D169 PolarHBondContact O-N 3.43Å; D167-D169 VanDerWaalsContact O-N 3.16Å; D167-E170 PolarHBondContact O-N 3.4Å; D167-R187 IonicContact OD2-CZ 3.55Å; D167-R187 VanDerWaalsContact OD2-CZ 3.29Å; D167-R187 IonicContact OD2-NH1 3.03Å; D167-R187 PolarHBondContact OD2-NH1 2.6Å; D167-R187 IonicContact OD2-NH2 2.67Å; D167-R187 PolarHBondContact OD2-NH2 3.14Å; D167-R187 VanDerWaalsContact OD2-NH2 3.15Å
168	G	40.8	Very low	46.7	Very low	48 Å²	48	85.5 Å²	85.5	50%	0.495	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-26.8	-159	0	0	0	0	0	115.2	R51 P166	R51-G168 PolarHBondContact NH2-O 3.09Å; P166-G168 PolarHBondContact O-N 2.85Å
169	D	50.2	Low	47.5	Very low	86 Å²	86	85.5 Å²	85.5	46%	0.46	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	6.5	-173.6	-83.6	-64.1	0	0	0	114.6	D167 R188	D167-D169 VanDerWaalsContact C-N 3.28Å; D167-D169 PolarHBondContact O-N 3.43Å; D167-D169 VanDerWaalsContact O-N 3.16Å; D169-R188 IonicContact OD1-NE 2.73Å
170	E	53.3	Low	48.7	Very low	69 Å²	69	88.7 Å²	88.7	32%	0.322	51%	0.505	S	S	.	.			trans	-77.3	134.9	175.2	-78.8	-163.1	162.4	0	0	113.9	D167 L185 L186 R187	D167-E170 PolarHBondContact O-N 3.4Å; E170-L185 HydrophobicContact CB-CD1 4.16Å; E170-L185 HydrophobicContact CG-CD1 4.37Å; E170-L186 CarbonylContact C-O 3.55Å; E170-L186 WeakPolarHBondContact CA-O 3.23Å; E170-R187 VanDerWaalsContact CD-NH2 3.35Å; E170-R187 HydrophobicContact CG-CG 3.73Å; E170-R187 IonicContact OE1-CZ 2.72Å; E170-R187 IonicContact OE1-NE 3.98Å; E170-R187 PolarHBondContact OE1-NE 2.89Å; E170-R187 IonicContact OE1-NH2 2.65Å; E170-R187 PolarHBondContact OE1-NH2 3.05Å
171	V	62.1	Low	50.5	Low	28 Å²	28	85.8 Å²	85.8	17%	0.17	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	121.1	-173.3	177.7	0	0	0	0	109.1	W49 L186	W49-V171 HydrophobicContact CE3-CG1 3.69Å; W49-V171 HydrophobicContact CE3-CG2 4.34Å; W49-V171 HydrophobicContact CH2-CG1 4.24Å; W49-V171 HydrophobicContact CZ3-CB 4.23Å; W49-V171 HydrophobicContact CZ3-CG1 3.44Å; W49-V171 VanDerWaalsContact CZ3-CG1 3.44Å; W49-V171 HydrophobicContact CZ3-CG2 3.7Å; V171-L186 HydrophobicContact CB-CB 4.31Å; V171-L186 PolarHBondContact N-O 2.74Å; V171-L186 PolarHBondContact O-N 3.05Å
172	L	62.2	Low	52.5	Low	84 Å²	84	81.9 Å²	81.9	44%	0.44	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	118.9	174.1	-170.2	72	0	0	0	110.7	L184 L233	L172-L184 CarbonylContact C-O 3.55Å; L172-L184 WeakPolarHBondContact CA-O 3.46Å; L172-L233 HydrophobicContact CD1-CD1 3.64Å; L172-L233 HydrophobicContact CD1-CG 4.36Å
173	L	68	Low	54.7	Low	36 Å²	36	76.3 Å²	76.3	19%	0.188	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	133.9	179.5	178.4	67.2	0	0	0	111	I175 Y183 L184 L186 L249	L173-I175 HydrophobicContact CD2-CD1 3.95Å; L173-I175 HydrophobicContact CD2-CG1 4.18Å; L173-I175 HydrophobicContact CG-CD1 4.43Å; L173-I175 HydrophobicContact CG-CG1 4.12Å; L173-Y183 CarbonylContact O-C 3.48Å; L173-Y183 WeakPolarHBondContact O-CA 3.41Å; L173-L184 HydrophobicContact CB-CB 4.32Å; L173-L184 HydrophobicContact CD2-CD1 4.32Å; L173-L184 PolarHBondContact N-O 2.68Å; L173-L184 PolarHBondContact O-N 3.3Å; L173-L186 HydrophobicContact CB-CD1 4.41Å; L173-L186 HydrophobicContact CD2-CD1 4.32Å; L173-L249 HydrophobicContact CD2-CD2 3.52Å
174	R	73.3	Confident	56.7	Low	133 Å²	133	70.4 Å²	70.4	50%	0.502	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	129.7	174.6	177.6	-174.1	170.3	-175.8	1.7	110.2	D181 L182 Y183	R174-D181 IonicContact CZ-OD1 2.76Å; R174-D181 VanDerWaalsContact CZ-OD1 3.23Å; R174-D181 IonicContact CZ-OD2 3.64Å; R174-D181 VanDerWaalsContact NE-CG 3.31Å; R174-D181 IonicContact NE-OD1 3.59Å; R174-D181 PolarHBondContact NE-OD1 3.09Å; R174-D181 IonicContact NE-OD2 3.73Å; R174-D181 IonicContact NH2-OD1 2.63Å; R174-D181 PolarHBondContact NH2-OD1 2.8Å; R174-D181 IonicContact NH2-OD2 3.81Å; R174-D181 PolarHBondContact NH2-OD2 3.11Å; R174-L182 CarbonylContact C-O 3.57Å; R174-L182 WeakPolarHBondContact CA-O 3.41Å; R174-Y183 HydrophobicContact CB-CD1 4.12Å; R174-Y183 HydrophobicContact CB-CE1 4.02Å; R174-Y183 HydrophobicContact CG-CD1 4.24Å; R174-Y183 HydrophobicContact CG-CE1 3.8Å; R174-Y183 PolarHBondContact NE-OH 3.13Å
175	I	69.1	Low	58.7	Low	1 Å²	1	68.5 Å²	68.5	1%	0.005	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	111.9	176.5	-57.2	-174.8	0	0	0	109.5	L173 A177 L182 L184 I253 I262 V278	L173-I175 HydrophobicContact CD2-CD1 3.95Å; L173-I175 HydrophobicContact CD2-CG1 4.18Å; L173-I175 HydrophobicContact CG-CD1 4.43Å; L173-I175 HydrophobicContact CG-CG1 4.12Å; I175-A177 HydrophobicContact CG2-CB 4.36Å; I175-A177 PolarHBondContact O-N 3.31Å; I175-L182 PolarHBondContact N-O 3.14Å; I175-L182 PolarHBondContact O-N 3.28Å; I175-L184 HydrophobicContact CD1-CD1 3.58Å; I175-L184 HydrophobicContact CG1-CD1 3.88Å; I175-I253 HydrophobicContact CD1-CD1 4.38Å; I175-I262 HydrophobicContact CD1-CD1 3.41Å; I175-I262 VanDerWaalsContact CD1-CD1 3.41Å; I175-I262 HydrophobicContact CD1-CG1 4.2Å; I175-V278 HydrophobicContact CG2-CG2 4.48Å
176	P	59.2	Low	60.2	Low	54 Å²	54	60.1 Å²	60.1	35%	0.351	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	109.8	172.8	29.8	-28.4	0	0	0	110.3	V43 R180	V43-P176 HydrophobicContact CG1-CG 3.83Å; V43-P176 WeakPolarHBondContact CG1-O 3.03Å; V43-P176 WeakPolarHBondContact CG2-O 3.49Å; P176-R180 CarbonylContact C-O 3.53Å; P176-R180 WeakPolarHBondContact CA-O 3.04Å
177	A	61.1	Low	61.9	Low	4 Å²	4	59.7 Å²	59.7	3%	0.033	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	150.9	-179.6	0	0	0	0	0	111.8	I175 S179 R180 V278	I175-A177 HydrophobicContact CG2-CB 4.36Å; I175-A177 PolarHBondContact O-N 3.31Å; A177-S179 VanDerWaalsContact C-N 3.27Å; A177-S179 PolarHBondContact O-N 2.79Å; A177-R180 PolarHBondContact N-O 3.43Å; A177-R180 PolarHBondContact O-N 3.32Å; A177-V278 HydrophobicContact CB-CB 4.44Å; A177-V278 HydrophobicContact CB-CG1 3.76Å
178	F	66.7	Low	63.1	Low	29 Å²	29	61.8 Å²	61.8	13%	0.127	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	45.5	178.4	-42.3	-71.5	0	0	0	113.3	E39 W41 R180 I260 V278 R280	E39-F178 WeakPolarHBondContact O-CE1 3.39Å; W41-F178 AromaticContact CD1-CD1 3.58Å; W41-F178 AromaticContact CD1-CE1 3.64Å; W41-F178 HydrophobicContact CG-CD1 4.41Å; W41-F178 HydrophobicContact CG-CE1 4.41Å; W41-F178 AromaticContact NE1-CD1 3.9Å; F178-R180 PolarHBondContact O-N 3.13Å; F178-I260 HydrophobicContact CD2-CD1 3.95Å; F178-I260 HydrophobicContact CD2-CG1 4.45Å; F178-I260 HydrophobicContact CE2-CB 4.5Å; F178-I260 HydrophobicContact CE2-CD1 3.83Å; F178-I260 HydrophobicContact CE2-CG1 3.9Å; F178-I260 HydrophobicContact CE2-CG2 3.83Å; F178-V278 HydrophobicContact CE2-CG1 3.94Å; F178-V278 HydrophobicContact CZ-CG1 4.11Å; F178-R280 HydrophobicContact CD1-CB 4.42Å; F178-R280 HydrophobicContact CE1-CB 3.82Å; F178-R280 HydrophobicContact CE2-CB 4.05Å; F178-R280 HydrophobicContact CZ-CB 3.63Å
179	S	55.3	Low	63.3	Low	110 Å²	110	61 Å²	61	77%	0.769	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	25.1	-177.2	-56	0	0	0	0	115.4	A177	A177-S179 VanDerWaalsContact C-N 3.27Å; A177-S179 PolarHBondContact O-N 2.79Å
180	R	60.3	Low	63.2	Low	182 Å²	182	59 Å²	59	69%	0.687	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.3	153.7	178	-61.9	-177.4	-176.8	-175.8	2	111.9	P176 A177 F178	P176-R180 CarbonylContact C-O 3.53Å; P176-R180 WeakPolarHBondContact CA-O 3.04Å; A177-R180 PolarHBondContact N-O 3.43Å; A177-R180 PolarHBondContact O-N 3.32Å; F178-R180 PolarHBondContact O-N 3.13Å
181	D	68.6	Low	62.8	Low	60 Å²	60	58.3 Å²	58.3	32%	0.321	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	112.7	166.6	-78	-60.4	0	0	0	110.5	R174 Y183	R174-D181 IonicContact CZ-OD1 2.76Å; R174-D181 VanDerWaalsContact CZ-OD1 3.23Å; R174-D181 IonicContact CZ-OD2 3.64Å; R174-D181 VanDerWaalsContact NE-CG 3.31Å; R174-D181 IonicContact NE-OD1 3.59Å; R174-D181 PolarHBondContact NE-OD1 3.09Å; R174-D181 IonicContact NE-OD2 3.73Å; R174-D181 IonicContact NH2-OD1 2.63Å; R174-D181 PolarHBondContact NH2-OD1 2.8Å; R174-D181 IonicContact NH2-OD2 3.81Å; R174-D181 PolarHBondContact NH2-OD2 3.11Å; D181-Y183 HydrophobicContact CB-CD2 4.22Å; D181-Y183 HydrophobicContact CB-CE2 3.43Å; D181-Y183 VanDerWaalsContact CB-CE2 3.43Å; D181-Y183 WeakPolarHBondContact O-CD2 3.4Å
182	L	71.7	Confident	61.7	Low	14 Å²	14	58.5 Å²	58.5	7%	0.073	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	134	169.2	-58.5	179.6	0	0	0	109.3	R174 I175 V232 I253 L255 I260	R174-L182 CarbonylContact C-O 3.57Å; R174-L182 WeakPolarHBondContact CA-O 3.41Å; I175-L182 PolarHBondContact N-O 3.14Å; I175-L182 PolarHBondContact O-N 3.28Å; L182-V232 HydrophobicContact CD2-CG1 4.44Å; L182-I253 HydrophobicContact CD1-CD1 4.07Å; L182-L255 HydrophobicContact CD1-CD1 4.25Å; L182-L255 HydrophobicContact CD2-CD1 4.02Å; L182-I260 HydrophobicContact CD1-CD1 3.88Å
183	Y	75.1	Confident	60.5	Low	66 Å²	66	55.1 Å²	55.1	26%	0.259	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	119.8	177.1	-66.4	-98.3	0	0	0	108.4	L173 R174 D181 V232 L233	L173-Y183 CarbonylContact O-C 3.48Å; L173-Y183 WeakPolarHBondContact O-CA 3.41Å; R174-Y183 HydrophobicContact CB-CD1 4.12Å; R174-Y183 HydrophobicContact CB-CE1 4.02Å; R174-Y183 HydrophobicContact CG-CD1 4.24Å; R174-Y183 HydrophobicContact CG-CE1 3.8Å; R174-Y183 PolarHBondContact NE-OH 3.13Å; D181-Y183 HydrophobicContact CB-CD2 4.22Å; D181-Y183 HydrophobicContact CB-CE2 3.43Å; D181-Y183 VanDerWaalsContact CB-CE2 3.43Å; D181-Y183 WeakPolarHBondContact O-CD2 3.4Å; Y183-V232 CarbonylContact O-C 3.58Å; Y183-V232 WeakPolarHBondContact O-CA 3.47Å; Y183-L233 PolarHBondContact O-N 3.31Å
184	L	69.6	Low	59.1	Low	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.5	-169.8	-67.4	137.2	0	0	0	109.8	L172 L173 I175 L186 A231 V232 A240 F242 I253	L172-L184 CarbonylContact C-O 3.55Å; L172-L184 WeakPolarHBondContact CA-O 3.46Å; L173-L184 HydrophobicContact CB-CB 4.32Å; L173-L184 HydrophobicContact CD2-CD1 4.32Å; L173-L184 PolarHBondContact N-O 2.68Å; L173-L184 PolarHBondContact O-N 3.3Å; I175-L184 HydrophobicContact CD1-CD1 3.58Å; I175-L184 HydrophobicContact CG1-CD1 3.88Å; L184-L186 HydrophobicContact CB-CD2 4.26Å; L184-L186 HydrophobicContact CB-CG 4.32Å; L184-A231 WeakPolarHBondContact CA-O 3.33Å; L184-V232 HydrophobicContact CD2-CG2 3.62Å; L184-V232 HydrophobicContact CG-CG2 4.33Å; L184-A240 HydrophobicContact CD2-CB 3.44Å; L184-A240 VanDerWaalsContact CD2-CB 3.44Å; L184-F242 HydrophobicContact CD2-CE2 4.31Å; L184-I253 HydrophobicContact CD1-CD1 3.72Å; L184-I253 HydrophobicContact CD1-CG1 4.48Å; L184-I253 HydrophobicContact CD2-CD1 3.77Å; L184-I253 HydrophobicContact CD2-CG1 3.81Å; L184-I253 HydrophobicContact CD2-CG2 4.17Å; L184-I253 HydrophobicContact CG-CD1 4.27Å
185	L	72.2	Confident	57.3	Low	54 Å²	54	49 Å²	49	28%	0.283	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	117.2	172.3	-173.1	65.8	0	0	0	108.3	E170 G230 A231 L233	E170-L185 HydrophobicContact CB-CD1 4.16Å; E170-L185 HydrophobicContact CG-CD1 4.37Å; L185-G230 CarbonylContact O-C 3.34Å; L185-G230 WeakPolarHBondContact O-CA 2.99Å; L185-A231 PolarHBondContact N-O 2.86Å; L185-A231 PolarHBondContact O-N 2.91Å; L185-L233 HydrophobicContact CB-CD2 4.4Å
186	L	61	Low	55.9	Low	6 Å²	6	57 Å²	57	3%	0.031	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	150.5	-171.3	-51.9	175.7	0	0	0	111.2	E170 V171 L173 L184 T229 A240 F242	E170-L186 CarbonylContact C-O 3.55Å; E170-L186 WeakPolarHBondContact CA-O 3.23Å; V171-L186 HydrophobicContact CB-CB 4.31Å; V171-L186 PolarHBondContact N-O 2.74Å; V171-L186 PolarHBondContact O-N 3.05Å; L173-L186 HydrophobicContact CB-CD1 4.41Å; L173-L186 HydrophobicContact CD2-CD1 4.32Å; L184-L186 HydrophobicContact CB-CD2 4.26Å; L184-L186 HydrophobicContact CB-CG 4.32Å; L186-T229 CarbonylContact C-O 3.53Å; L186-T229 WeakPolarHBondContact CA-O 3.25Å; L186-A240 HydrophobicContact CD2-CB 4.08Å; L186-F242 HydrophobicContact CD1-CD2 3.6Å; L186-F242 HydrophobicContact CD1-CE2 3.94Å; L186-F242 HydrophobicContact CD2-CD2 3.83Å; L186-F242 HydrophobicContact CD2-CE2 3.92Å; L186-F242 HydrophobicContact CG-CD2 4.39Å
187	R	65.1	Low	55	Low	108 Å²	108	55.2 Å²	55.2	41%	0.408	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	156	177.2	-70.4	169.1	168.9	-107.7	-7.8	109.7	D167 E170 Y228 T229	D167-R187 IonicContact OD2-CZ 3.55Å; D167-R187 VanDerWaalsContact OD2-CZ 3.29Å; D167-R187 IonicContact OD2-NH1 3.03Å; D167-R187 PolarHBondContact OD2-NH1 2.6Å; D167-R187 IonicContact OD2-NH2 2.67Å; D167-R187 PolarHBondContact OD2-NH2 3.14Å; D167-R187 VanDerWaalsContact OD2-NH2 3.15Å; E170-R187 VanDerWaalsContact CD-NH2 3.35Å; E170-R187 HydrophobicContact CG-CG 3.73Å; E170-R187 IonicContact OE1-CZ 2.72Å; E170-R187 IonicContact OE1-NE 3.98Å; E170-R187 PolarHBondContact OE1-NE 2.89Å; E170-R187 IonicContact OE1-NH2 2.65Å; E170-R187 PolarHBondContact OE1-NH2 3.05Å; R187-Y228 CarbonylContact O-C 3.42Å; R187-Y228 WeakPolarHBondContact O-CA 3.29Å; R187-Y228 WeakPolarHBondContact O-CB 3.3Å; R187-T229 PolarHBondContact N-O 2.92Å; R187-T229 PolarHBondContact O-N 2.86Å
188	R	59.4	Low	53.9	Low	125 Å²	125	57.2 Å²	57.2	47%	0.472	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	146.4	177.3	-161.6	-170.3	-56.2	-110.7	0.1	111.5	D169 G225 F227 Y228	D169-R188 IonicContact OD1-NE 2.73Å; R188-G225 PolarHBondContact NH1-O 2.84Å; R188-F227 CarbonylContact C-O 3.44Å; R188-F227 WeakPolarHBondContact CA-O 3.36Å; R188-F227 WeakPolarHBondContact CG-O 3.12Å; R188-Y228 HydrophobicContact CB-CD1 4.17Å; R188-Y228 HydrophobicContact CB-CE1 4.02Å; R188-Y228 HydrophobicContact CG-CD1 4.49Å; R188-Y228 HydrophobicContact CG-CE1 4.18Å
189	D	46.3	Very low	52.5	Low	31 Å²	31	57.7 Å²	57.7	17%	0.166	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	151.4	180	-153.1	-30.6	0	0	0	111.8	R191 F227 T229	D189-R191 IonicContact OD1-CZ 3.59Å; D189-R191 IonicContact OD1-NE 3.54Å; D189-R191 PolarHBondContact OD1-NE 3.17Å; D189-R191 IonicContact OD1-NH2 3.46Å; D189-R191 IonicContact OD2-CZ 2.68Å; D189-R191 IonicContact OD2-NE 2.75Å; D189-R191 PolarHBondContact OD2-NE 2.87Å; D189-R191 IonicContact OD2-NH2 3.94Å; D189-R191 PolarHBondContact OD2-NH2 2.72Å; D189-F227 HydrophobicContact CB-CB 4.48Å; D189-F227 PolarHBondContact N-O 2.76Å; D189-T229 HydrophobicContact CB-CG2 4.39Å
190	G	48	Very low	52.1	Low	44 Å²	44	54.8 Å²	54.8	45%	0.454	26%	0.257	S	S	.	.			trans	-168.2	25.5	-170	0	0	0	0	0	116	F192	G190-F192 PolarHBondContact O-N 3.36Å
191	R	44.1	Very low	51.7	Low	55 Å²	55	50.9 Å²	50.9	21%	0.208	25%	0.246	C	C	.	.			trans	-85.9	3.8	-165	-65.4	172.8	-71.5	153.1	3.5	116.8	D189 E330 Q375	D189-R191 IonicContact OD1-CZ 3.59Å; D189-R191 IonicContact OD1-NE 3.54Å; D189-R191 PolarHBondContact OD1-NE 3.17Å; D189-R191 IonicContact OD1-NH2 3.46Å; D189-R191 IonicContact OD2-CZ 2.68Å; D189-R191 IonicContact OD2-NE 2.75Å; D189-R191 PolarHBondContact OD2-NE 2.87Å; D189-R191 IonicContact OD2-NH2 3.94Å; D189-R191 PolarHBondContact OD2-NH2 2.72Å; R191-E330 WeakPolarHBondContact CD-OE2 3.37Å; R191-E330 IonicContact CZ-OE2 3.54Å; R191-E330 IonicContact NE-OE2 2.66Å; R191-E330 IonicContact NH1-OE1 2.66Å; R191-E330 IonicContact NH1-OE2 3.77Å; R191-E330 PolarHBondContact NH1-OE2 2.91Å; R191-Q375 VanDerWaalsContact NH2-OE1 3.14Å
192	F	40.2	Very low	51.3	Low	33 Å²	33	51.2 Å²	51.2	15%	0.145	24%	0.243	C	C	.	.	S	Bend	trans	-84.4	-53.3	-165.7	174.2	-148.2	0	0	0	115.8	G190 N361 F364	G190-F192 PolarHBondContact O-N 3.36Å; F192-N361 HydrophobicContact CE1-CB 4.19Å; F192-N361 VanDerWaalsContact CE1-OD1 3.26Å; F192-N361 WeakPolarHBondContact CE1-OD1 3.34Å; F192-N361 HydrophobicContact CZ-CB 3.82Å; F192-F364 HydrophobicContact CB-CD1 4.37Å; F192-F364 HydrophobicContact CB-CD2 4.3Å; F192-F364 HydrophobicContact CB-CE1 4Å; F192-F364 HydrophobicContact CB-CE2 3.91Å; F192-F364 HydrophobicContact CB-CZ 3.76Å; F192-F364 HydrophobicContact CD1-CD1 4.34Å; F192-F364 HydrophobicContact CD2-CB 3.72Å; F192-F364 AromaticContact CD2-CD1 3.73Å; F192-F364 HydrophobicContact CD2-CD1 3.73Å; F192-F364 AromaticContact CD2-CD2 3.42Å; F192-F364 HydrophobicContact CD2-CD2 3.42Å; F192-F364 VanDerWaalsContact CD2-CD2 3.42Å; F192-F364 HydrophobicContact CD2-CE1 4.22Å; F192-F364 AromaticContact CD2-CE2 3.94Å; F192-F364 HydrophobicContact CD2-CE2 3.94Å; F192-F364 AromaticContact CD2-CG 3.31Å; F192-F364 HydrophobicContact CD2-CG 3.31Å; F192-F364 HydrophobicContact CD2-CZ 4.32Å; F192-F364 HydrophobicContact CE2-CB 3.47Å; F192-F364 VanDerWaalsContact CE2-CB 3.47Å; F192-F364 HydrophobicContact CE2-CD1 4.13Å; F192-F364 HydrophobicContact CE2-CD2 4.11Å; F192-F364 AromaticContact CE2-CG 3.63Å; F192-F364 HydrophobicContact CE2-CG 3.63Å; F192-F364 AromaticContact CG-CD1 3.88Å; F192-F364 HydrophobicContact CG-CD1 3.88Å; F192-F364 HydrophobicContact CG-CD2 4.09Å; F192-F364 HydrophobicContact CG-CE1 4.01Å; F192-F364 HydrophobicContact CG-CE2 4.2Å; F192-F364 AromaticContact CG-CG 3.94Å; F192-F364 HydrophobicContact CG-CG 3.94Å; F192-F364 HydrophobicContact CG-CZ 4.17Å; F192-F364 HydrophobicContact CZ-CB 4.24Å; F192-F364 HydrophobicContact CZ-CG 4.46Å
193	L	37.2	Very low	50.3	Low	13 Å²	13	55.8 Å²	55.8	7%	0.068	27%	0.274	C	S	.	.			trans	-114.3	146.9	-166.7	-74.7	162.7	0	0	0	114.1	S557 V558 V560	L193-S557 VanDerWaalsContact O-CA 3.29Å; L193-S557 WeakPolarHBondContact O-CA 3.46Å; L193-S557 PolarHBondContact O-N 3.23Å; L193-V558 HydrophobicContact CB-CB 3.98Å; L193-V558 WeakPolarHBondContact CD1-O 3.42Å; L193-V560 HydrophobicContact CD1-CG2 3.81Å
194	A	36.8	Very low	48.5	Very low	2 Å²	2	57 Å²	57	2%	0.017	29%	0.285	C	S	.	.			trans	-89.6	143.1	-173.9	0	0	0	0	0	113.2	R196 F197 V380 I381 V558	A194-R196 VanDerWaalsContact C-N 3.34Å; A194-R196 PolarHBondContact O-N 2.92Å; A194-F197 WeakPolarHBondContact O-CB 3.14Å; A194-F197 PolarHBondContact O-N 2.03Å; A194-V380 WeakPolarHBondContact CB-O 3.25Å; A194-I381 HydrophobicContact CB-CG2 3.95Å; A194-V558 WeakPolarHBondContact O-CG2 3.23Å
195	P	36.3	Very low	47.3	Very low	38 Å²	38	62.8 Å²	62.8	25%	0.247	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-30.8	-173.7	24.6	-37.6	0	0	0	115.8	Q553 S554 N556	P195-Q553 WeakPolarHBondContact CG-O 3.31Å; P195-S554 WeakPolarHBondContact CD-O 3.37Å; P195-S554 VanDerWaalsContact CG-C 3.45Å; P195-N556 VanDerWaalsContact CA-O 3.26Å; P195-N556 WeakPolarHBondContact CA-O 3.47Å; P195-N556 HydrophobicContact CB-CB 3.88Å; P195-N556 VanDerWaalsContact CB-O 3.25Å; P195-N556 WeakPolarHBondContact CB-O 3.32Å
196	R	39.2	Very low	45.3	Very low	169 Å²	169	62.9 Å²	62.9	64%	0.638	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	25.2	-179.2	-67.7	-160.4	-174.1	157.6	11.6	111.8	A194 A198	A194-R196 VanDerWaalsContact C-N 3.34Å; A194-R196 PolarHBondContact O-N 2.92Å; R196-A198 PolarHBondContact O-N 3.33Å
197	F	41.3	Very low	44.4	Very low	17 Å²	17	69.1 Å²	69.1	8%	0.075	38%	0.377	C	S	.	.			trans	-52.6	107.6	174.5	171.9	-104.8	0	0	0	110.2	A194 V199 L357 V380 I381 L383 V558	A194-F197 WeakPolarHBondContact O-CB 3.14Å; A194-F197 PolarHBondContact O-N 2.03Å; F197-V199 HydrophobicContact CE1-CG2 3.73Å; F197-V199 HydrophobicContact CZ-CG2 3.62Å; F197-L357 HydrophobicContact CE1-CD1 3.93Å; F197-L357 HydrophobicContact CE1-CD2 4.12Å; F197-L357 HydrophobicContact CE2-CD2 4.16Å; F197-L357 HydrophobicContact CZ-CD1 3.98Å; F197-L357 HydrophobicContact CZ-CD2 3.67Å; F197-L357 HydrophobicContact CZ-CG 4.28Å; F197-V380 HydrophobicContact CD2-CB 4.34Å; F197-V380 HydrophobicContact CD2-CG1 3.92Å; F197-V380 HydrophobicContact CE2-CB 4.49Å; F197-V380 HydrophobicContact CE2-CG1 3.71Å; F197-I381 WeakPolarHBondContact CA-O 3.03Å; F197-L383 HydrophobicContact CE2-CB 3.86Å; F197-L383 HydrophobicContact CZ-CB 3.93Å; F197-L383 HydrophobicContact CZ-CD2 4.47Å; F197-V558 HydrophobicContact CD1-CG1 4.46Å
198	A	37.8	Very low	42.8	Very low	45 Å²	45	67.5 Å²	67.5	37%	0.372	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	145.8	-175.1	0	0	0	0	0	110.3	R196 K382 L383	R196-A198 PolarHBondContact O-N 3.33Å; A198-K382 HydrophobicContact CB-CG 4.44Å; A198-K382 WeakPolarHBondContact O-CA 3.28Å; A198-L383 PolarHBondContact O-N 3.08Å
199	V	37.6	Very low	42.7	Very low	40 Å²	40	67.5 Å²	67.5	24%	0.242	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	114.4	173.1	-171.9	0	0	0	0	108.6	F197 R353 L383 L385	F197-V199 HydrophobicContact CE1-CG2 3.73Å; F197-V199 HydrophobicContact CZ-CG2 3.62Å; V199-R353 HydrophobicContact CG1-CG 4.41Å; V199-R353 HydrophobicContact CG2-CG 4.34Å; V199-L383 CarbonylContact C-O 3.32Å; V199-L383 VanDerWaalsContact CA-O 3.3Å; V199-L383 WeakPolarHBondContact CA-O 3.3Å; V199-L383 HydrophobicContact CG1-CB 4.44Å; V199-L383 HydrophobicContact CG1-CD2 4.2Å; V199-L383 HydrophobicContact CG1-CG 4.29Å; V199-L383 HydrophobicContact CG2-CB 4.26Å; V199-L383 HydrophobicContact CG2-CD2 4.32Å; V199-L385 HydrophobicContact CG1-CD1 4.09Å; V199-L385 HydrophobicContact CG1-CG 4.24Å
200	E	47.3	Very low	42	Very low	48 Å²	48	73.1 Å²	73.1	22%	0.224	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	143.7	178.8	-171.1	-179.2	136.5	0	0	110.1	R202 K382 L383 I384 L385	E200-R202 HydrophobicContact CG-CG 4.47Å; E200-R202 WeakPolarHBondContact OE1-CG 3.37Å; E200-R202 IonicContact OE1-CZ 3.95Å; E200-R202 IonicContact OE1-NE 3.3Å; E200-R202 PolarHBondContact OE1-NE 3.22Å; E200-R202 IonicContact OE1-NH2 2.63Å; E200-R202 PolarHBondContact OE1-NH2 2.93Å; E200-K382 WeakPolarHBondContact OE2-CE 3.48Å; E200-K382 IonicContact OE2-NZ 3.78Å; E200-K382 PolarHBondContact OE2-NZ 3.46Å; E200-L383 PolarHBondContact N-O 2.98Å; E200-I384 HydrophobicContact CB-CG1 4.34Å; E200-L385 PolarHBondContact O-N 3.28Å
201	Q	52.1	Low	41.7	Very low	100 Å²	100	75 Å²	75	47%	0.467	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	123.8	171.9	-59.2	-173.1	8.2	0	0	108	P203 L385	Q201-P203 WeakPolarHBondContact O-CD 3.26Å; Q201-L385 WeakPolarHBondContact CA-O 3.4Å; Q201-L385 HydrophobicContact CG-CB 4.27Å; Q201-L385 HydrophobicContact CG-CD1 4.28Å
202	R	59.8	Low	40.8	Very low	68 Å²	68	77.2 Å²	77.2	26%	0.257	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	112.2	179.9	-70.6	-168.1	178.7	-177.3	5.1	111.3	E200 L385 L386 H387 E413	E200-R202 HydrophobicContact CG-CG 4.47Å; E200-R202 WeakPolarHBondContact OE1-CG 3.37Å; E200-R202 IonicContact OE1-CZ 3.95Å; E200-R202 IonicContact OE1-NE 3.3Å; E200-R202 PolarHBondContact OE1-NE 3.22Å; E200-R202 IonicContact OE1-NH2 2.63Å; E200-R202 PolarHBondContact OE1-NH2 2.93Å; R202-L385 PolarHBondContact N-O 2.74Å; R202-L385 VanDerWaalsContact N-O 3.14Å; R202-L386 HydrophobicContact CB-CD2 4.3Å; R202-H387 PolarHBondContact O-N 3.5Å; R202-E413 IonicContact CZ-OE1 2.72Å; R202-E413 IonicContact CZ-OE2 2.68Å; R202-E413 VanDerWaalsContact NH1-CD 3.3Å; R202-E413 IonicContact NH1-OE1 2.61Å; R202-E413 PolarHBondContact NH1-OE1 2.89Å; R202-E413 IonicContact NH1-OE2 2.79Å; R202-E413 PolarHBondContact NH1-OE2 2.92Å; R202-E413 VanDerWaalsContact NH1-OE2 3.16Å; R202-E413 IonicContact NH2-OE1 2.98Å; R202-E413 IonicContact NH2-OE2 2.9Å; R202-E413 PolarHBondContact NH2-OE2 2.93Å
203	P	49.4	Very low	40.3	Very low	110 Å²	110	80.7 Å²	80.7	71%	0.714	53%	0.53	S	S	*	.			trans	-93.4	172.6	172.4	37.1	-34.7	0	0	0	113.4	Q201	Q201-P203 WeakPolarHBondContact O-CD 3.26Å
204	N	38.5	Very low	39.9	Very low	92 Å²	92	85.9 Å²	85.9	49%	0.492	57%	0.567	S	S	.	*			trans	-61.2	133.1	-171.8	-175	-39.8	0	0	0	115.3	G206 E388	N204-G206 PolarHBondContact O-N 2.8Å; N204-G206 PolarHBondContact OD1-N 2.71Å; N204-E388 WeakPolarHBondContact CB-OE1 3.32Å; N204-E388 VanDerWaalsContact CB-OE2 3.31Å; N204-E388 WeakPolarHBondContact CB-OE2 3.48Å; N204-E388 PolarHBondContact ND2-OE1 2.82Å; N204-E388 PolarHBondContact ND2-OE2 2.83Å
205	P	44.4	Very low	39.5	Very low	120 Å²	120	90 Å²	90	78%	0.779	60%	0.601	S	S	*	*			trans	-83.3	74.3	171.5	35.9	-35.1	0	0	0	113.4
206	G	30.7	Very low	39.2	Very low	56 Å²	56	94.4 Å²	94.4	58%	0.577	63%	0.63	S	S	*	*			trans	-73	149.1	174	0	0	0	0	0	114.3	N204	N204-G206 PolarHBondContact O-N 2.8Å; N204-G206 PolarHBondContact OD1-N 2.71Å
207	P	40.5	Very low	38.6	Very low	138 Å²	138	95.1 Å²	95.1	90%	0.896	64%	0.64	S	S	*	*			trans	-91.1	129.2	-171.2	33.9	-34.6	0	0	0	115
208	G	31.3	Very low	37.9	Very low	73 Å²	73	99.3 Å²	99.3	75%	0.753	67%	0.669	S	S	*	*			trans	107.3	141.8	161.3	0	0	0	0	0	115.3
209	P	57.3	Low	37.5	Very low	125 Å²	125	103.2 Å²	103.2	81%	0.812	69%	0.69	S	S	*	*			trans	-100.3	135.5	-163.9	36.3	-33.9	0	0	0	115.5
210	T	33	Very low	37.1	Very low	150 Å²	150	105 Å²	105	92%	0.92	71%	0.71	S	S	*	*			trans	-160.1	145.5	137.3	0	0	0	0	0	109.3
211	G	40.6	Very low	36.6	Very low	83 Å²	83	104.8 Å²	104.8	86%	0.856	71%	0.712	S	S	*	*			trans	-87	143.4	-159.5	0	0	0	0	0	116.4
212	A	26.5	Very low	36.2	Very low	102 Å²	102	103.9 Å²	103.9	84%	0.843	72%	0.715	S	S	*	*			trans	-142.9	151.6	160.4	0	0	0	0	0	110.4
213	A	29	Very low	35.3	Very low	106 Å²	106	105.1 Å²	105.1	88%	0.876	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-48.6	139.3	-165.5	0	0	0	0	0	117.5
214	S	29.8	Very low	35	Very low	121 Å²	121	101.9 Å²	101.9	85%	0.846	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-78.5	139.2	165.2	46	0	0	0	0	111.9
215	A	27.8	Very low	35.5	Very low	88 Å²	88	99.3 Å²	99.3	73%	0.727	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-88.5	154	176.9	0	0	0	0	0	112.2
216	P	28.8	Very low	36.1	Very low	132 Å²	132	95.1 Å²	95.1	86%	0.857	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-75.6	142	-179.4	-14.5	30.6	0	0	0	113.6
217	H	26.7	Very low	37.2	Very low	183 Å²	183	98 Å²	98	85%	0.847	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-72.1	146.3	174.5	-63.7	-73.5	0	0	0	113.2
218	P	27.3	Very low	38.2	Very low	106 Å²	106	92.6 Å²	92.6	69%	0.688	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-84.5	154.1	175.1	34.1	-35.2	0	0	0	113.7
219	P	30	Very low	39.6	Very low	127 Å²	127	91.3 Å²	91.3	83%	0.825	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-83.5	172.2	178.4	34.4	-36.3	0	0	0	114.6
220	A	29	Very low	40.2	Very low	78 Å²	78	86.2 Å²	86.2	65%	0.645	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-102.6	164.3	-173.4	0	0	0	0	0	114.9
221	P	35.9	Very low	41.9	Very low	42 Å²	42	81 Å²	81	27%	0.273	56%	0.557	S	S	.	*			trans	-106.7	154.5	-173	38.2	-29.2	0	0	0	115.3	V558 M559	P221-V558 HydrophobicContact CG-CG1 4.46Å; P221-M559 HydrophobicContact CB-CB 3.93Å; P221-M559 HydrophobicContact CB-CG 4.5Å; P221-M559 HydrophobicContact CB-SD 3.78Å; P221-M559 HydrophobicContact CG-CB 4.18Å
222	P	44.1	Very low	43.6	Very low	82 Å²	82	77.4 Å²	77.4	53%	0.532	52%	0.518	S	S	.	.			trans	-122.1	-9.7	-147.9	41.2	-29.7	0	0	0	119.7	A224	P222-A224 PolarHBondContact O-N 2.92Å
223	D	41.1	Very low	45.5	Very low	94 Å²	94	76 Å²	76	50%	0.503	50%	0.496	S	S	.	.			trans	-73.8	116.5	-165.1	-56.7	-4.6	0	0	0	113.4	V558 M559	D223-V558 CarbonylContact O-C 3.53Å; D223-M559 HydrophobicContact CB-CB 4.22Å; D223-M559 HydrophobicContact CB-CG 3.9Å; D223-M559 WeakPolarHBondContact O-CA 3.3Å; D223-M559 WeakPolarHBondContact OD2-CE 3.06Å
224	A	43	Very low	46.7	Very low	41 Å²	41	80.1 Å²	80.1	34%	0.339	49%	0.489	S	S	.	.			trans	-130.8	3.8	-165.6	0	0	0	0	0	115.8	P222 S557	P222-A224 PolarHBondContact O-N 2.92Å; A224-S557 WeakPolarHBondContact CB-OG 3.35Å
225	G	49	Very low	48.2	Very low	38 Å²	38	78 Å²	78	39%	0.392	47%	0.465	S	S	.	.			trans	-119.5	1.1	-140.8	0	0	0	0	0	120.9	R188	R188-G225 PolarHBondContact NH1-O 2.84Å
226	C	55.8	Low	49.2	Very low	33 Å²	33	79.8 Å²	79.8	22%	0.223	47%	0.469	C	S	.	.			trans	-135.4	22.1	-152.9	53.5	0	0	0	0	118.1	S243 T244 C245	C226-S243 PolarHBondContact O-OG 2.79Å; C226-T244 PolarHBondContact O-N 3.14Å; C226-T244 PolarHBondContact O-OG1 2.86Å; C226-C245 HydrophobicContact CB-CB 3.88Å; C226-C245 WeakPolarHBondContact CB-SG 3.17Å; C226-C245 PolarHBondContact O-SG 2.93Å; C226-C245 VanDerWaalsContact O-SG 3.39Å; C226-C245 WeakPolarHBondContact SG-CA 3.34Å; C226-C245 WeakPolarHBondContact SG-CB 3.48Å; C226-C245 CovalentContact SG-SG 2.03Å; C226-C245 PolarHBondContact SG-SG 2.85Å
227	F	55	Low	50.2	Low	117 Å²	117	77.3 Å²	77.3	51%	0.513	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	150.4	175.6	-57.6	-81.3	0	0	0	112.2	R188 D189 C245	R188-F227 CarbonylContact C-O 3.44Å; R188-F227 WeakPolarHBondContact CA-O 3.36Å; R188-F227 WeakPolarHBondContact CG-O 3.12Å; D189-F227 HydrophobicContact CB-CB 4.48Å; D189-F227 PolarHBondContact N-O 2.76Å; F227-C245 VanDerWaalsContact CZ-SG 3.55Å
228	Y	61.1	Low	51.4	Low	23 Å²	23	69 Å²	69	9%	0.09	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	143.4	-177.6	-62.7	-97.7	0	0	0	112.6	R187 R188 F242 T244	R187-Y228 CarbonylContact O-C 3.42Å; R187-Y228 WeakPolarHBondContact O-CA 3.29Å; R187-Y228 WeakPolarHBondContact O-CB 3.3Å; R188-Y228 HydrophobicContact CB-CD1 4.17Å; R188-Y228 HydrophobicContact CB-CE1 4.02Å; R188-Y228 HydrophobicContact CG-CD1 4.49Å; R188-Y228 HydrophobicContact CG-CE1 4.18Å; Y228-F242 WeakPolarHBondContact CA-O 3.37Å; Y228-F242 PolarHBondContact N-O 3.07Å; Y228-F242 PolarHBondContact O-N 3.09Å; Y228-F242 VanDerWaalsContact O-O 3.1Å; Y228-T244 HydrophobicContact CD2-CG2 4.11Å; Y228-T244 HydrophobicContact CE2-CG2 3.84Å
229	T	61.1	Low	52.6	Low	47 Å²	47	67.2 Å²	67.2	29%	0.288	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	155.1	178.9	55.1	0	0	0	0	111.3	L186 R187 D189	L186-T229 CarbonylContact C-O 3.53Å; L186-T229 WeakPolarHBondContact CA-O 3.25Å; R187-T229 PolarHBondContact N-O 2.92Å; R187-T229 PolarHBondContact O-N 2.86Å; D189-T229 HydrophobicContact CB-CG2 4.39Å
230	G	70.3	Confident	53.9	Low	18 Å²	18	61.1 Å²	61.1	19%	0.186	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.9	-157.7	-176.1	0	0	0	0	0	116.3	L185 L239 A240	L185-G230 CarbonylContact O-C 3.34Å; L185-G230 WeakPolarHBondContact O-CA 2.99Å; G230-L239 WeakPolarHBondContact O-CA 3.45Å; G230-A240 PolarHBondContact N-O 3.13Å; G230-A240 PolarHBondContact O-N 2.68Å
231	A	68.8	Low	55.3	Low	41 Å²	41	59.3 Å²	59.3	34%	0.339	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	165.3	-173.4	0	0	0	0	0	113.8	L184 L185 S238	L184-A231 WeakPolarHBondContact CA-O 3.33Å; L185-A231 PolarHBondContact N-O 2.86Å; L185-A231 PolarHBondContact O-N 2.91Å; A231-S238 WeakPolarHBondContact CB-O 3.26Å
232	V	75.4	Confident	56.3	Low	7 Å²	7	57.5 Å²	57.5	4%	0.042	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	125.6	178.6	-173.5	0	0	0	0	111.1	L182 Y183 L184 R234 H235 S238 I253 L255	L182-V232 HydrophobicContact CD2-CG1 4.44Å; Y183-V232 CarbonylContact O-C 3.58Å; Y183-V232 WeakPolarHBondContact O-CA 3.47Å; L184-V232 HydrophobicContact CD2-CG2 3.62Å; L184-V232 HydrophobicContact CG-CG2 4.33Å; V232-R234 PolarHBondContact O-N 2.9Å; V232-H235 HydrophobicContact CB-CB 4.24Å; V232-H235 HydrophobicContact CG1-CB 4.43Å; V232-H235 PolarHBondContact O-N 3.15Å; V232-H235 VanDerWaalsContact O-N 3.11Å; V232-S238 WeakPolarHBondContact CB-OG 3.41Å; V232-S238 PolarHBondContact N-OG 2.86Å; V232-I253 HydrophobicContact CG2-CG2 3.41Å; V232-I253 VanDerWaalsContact CG2-CG2 3.41Å; V232-L255 HydrophobicContact CB-CD2 4.2Å; V232-L255 HydrophobicContact CG1-CD2 4.41Å; V232-L255 HydrophobicContact CG2-CD2 3.97Å
233	L	66.3	Low	56.9	Low	72 Å²	72	55 Å²	55	38%	0.377	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	136.8	175.7	-67.1	-176.4	0	0	0	111.5	L172 Y183 L185 H235	L172-L233 HydrophobicContact CD1-CD1 3.64Å; L172-L233 HydrophobicContact CD1-CG 4.36Å; Y183-L233 PolarHBondContact O-N 3.31Å; L185-L233 HydrophobicContact CB-CD2 4.4Å; L233-H235 PolarHBondContact O-N 2.71Å
234	R	54.5	Low	57.6	Low	193 Å²	193	52.4 Å²	52.4	73%	0.728	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	3.8	-175	-53.6	172.3	-71.2	-115.3	-1.4	115.4	V232 P236	V232-R234 PolarHBondContact O-N 2.9Å; R234-P236 WeakPolarHBondContact O-CD 3.3Å
235	H	60.4	Low	57.9	Low	75 Å²	75	52.6 Å²	52.6	35%	0.347	32%	0.316	S	S	.	.			trans	-120.5	77.2	171.9	-73.4	-78	0	0	0	111.4	V232 L233 G237 S238 L255	V232-H235 HydrophobicContact CB-CB 4.24Å; V232-H235 HydrophobicContact CG1-CB 4.43Å; V232-H235 PolarHBondContact O-N 3.15Å; V232-H235 VanDerWaalsContact O-N 3.11Å; L233-H235 PolarHBondContact O-N 2.71Å; H235-G237 PolarHBondContact O-N 3.15Å; H235-S238 VanDerWaalsContact O-CB 3.32Å; H235-S238 WeakPolarHBondContact O-CB 3.36Å; H235-S238 PolarHBondContact O-N 2.75Å; H235-S238 VanDerWaalsContact O-N 3.13Å; H235-S238 PolarHBondContact O-OG 2.9Å; H235-L255 HydrophobicContact CB-CD2 3.96Å
236	P	49.7	Very low	57.7	Low	126 Å²	126	54.1 Å²	54.1	82%	0.818	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	130.6	177.8	27.4	-34.4	0	0	0	110.8	R234	R234-P236 WeakPolarHBondContact O-CD 3.3Å
237	G	49.1	Very low	57.2	Low	80 Å²	80	55.5 Å²	55.5	83%	0.825	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.7	-6.2	-173.3	0	0	0	0	0	114.8	H235	H235-G237 PolarHBondContact O-N 3.15Å
238	S	52.1	Low	57	Low	9 Å²	9	50.6 Å²	50.6	6%	0.063	33%	0.334	C	S	.	.			trans	-71.6	150.5	166.2	63.1	0	0	0	0	111.7	A231 V232 H235 Q254	A231-S238 WeakPolarHBondContact CB-O 3.26Å; V232-S238 WeakPolarHBondContact CB-OG 3.41Å; V232-S238 PolarHBondContact N-OG 2.86Å; H235-S238 VanDerWaalsContact O-CB 3.32Å; H235-S238 WeakPolarHBondContact O-CB 3.36Å; H235-S238 PolarHBondContact O-N 2.75Å; H235-S238 VanDerWaalsContact O-N 3.13Å; H235-S238 PolarHBondContact O-OG 2.9Å; S238-Q254 VanDerWaalsContact CA-O 3.31Å; S238-Q254 WeakPolarHBondContact CA-O 3.41Å; S238-Q254 VanDerWaalsContact CB-O 3.27Å; S238-Q254 WeakPolarHBondContact CB-O 3.43Å
239	L	53.2	Low	56.7	Low	68 Å²	68	50.8 Å²	50.8	36%	0.356	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	137.6	171.2	-168.7	83	0	0	0	109.4	G230 Q254 K370	G230-L239 WeakPolarHBondContact O-CA 3.45Å; L239-Q254 PolarHBondContact N-O 2.81Å; L239-Q254 PolarHBondContact O-N 3.46Å; L239-K370 HydrophobicContact CD2-CD 4.43Å; L239-K370 VanDerWaalsContact CD2-CE 3.48Å
240	A	57.4	Low	56.2	Low	0 Å²	0	53.7 Å²	53.7	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	146.2	167.7	0	0	0	0	0	111	L184 L186 G230 F242 F252 I253	L184-A240 HydrophobicContact CD2-CB 3.44Å; L184-A240 VanDerWaalsContact CD2-CB 3.44Å; L186-A240 HydrophobicContact CD2-CB 4.08Å; G230-A240 PolarHBondContact N-O 3.13Å; G230-A240 PolarHBondContact O-N 2.68Å; A240-F242 HydrophobicContact CB-CD2 4.38Å; A240-F242 HydrophobicContact CB-CE2 3.7Å; A240-F242 HydrophobicContact CB-CZ 4.33Å; A240-F252 VanDerWaalsContact CA-O 3.24Å; A240-F252 WeakPolarHBondContact CA-O 3.45Å; A240-I253 HydrophobicContact CB-CG1 4.16Å; A240-I253 HydrophobicContact CB-CG2 4.49Å
241	S	58.8	Low	55.6	Low	40 Å²	40	53.6 Å²	53.6	28%	0.28	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	132.9	176.7	-174.9	0	0	0	0	109.1	G251 F252	S241-G251 CarbonylContact O-C 3.46Å; S241-G251 WeakPolarHBondContact O-CA 3.26Å; S241-F252 PolarHBondContact N-O 2.76Å; S241-F252 PolarHBondContact O-N 2.84Å
242	F	57.2	Low	54.9	Low	4 Å²	4	54.1 Å²	54.1	2%	0.018	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	141.4	-173.5	-63	-74.4	0	0	0	112.1	L184 L186 Y228 A240 L249 M250 I253 I262	L184-F242 HydrophobicContact CD2-CE2 4.31Å; L186-F242 HydrophobicContact CD1-CD2 3.6Å; L186-F242 HydrophobicContact CD1-CE2 3.94Å; L186-F242 HydrophobicContact CD2-CD2 3.83Å; L186-F242 HydrophobicContact CD2-CE2 3.92Å; L186-F242 HydrophobicContact CG-CD2 4.39Å; Y228-F242 WeakPolarHBondContact CA-O 3.37Å; Y228-F242 PolarHBondContact N-O 3.07Å; Y228-F242 PolarHBondContact O-N 3.09Å; Y228-F242 VanDerWaalsContact O-O 3.1Å; A240-F242 HydrophobicContact CB-CD2 4.38Å; A240-F242 HydrophobicContact CB-CE2 3.7Å; A240-F242 HydrophobicContact CB-CZ 4.33Å; F242-L249 HydrophobicContact CB-CD1 3.79Å; F242-L249 HydrophobicContact CD1-CD1 3.91Å; F242-L249 HydrophobicContact CD1-CD2 4.31Å; F242-L249 HydrophobicContact CD1-CG 3.9Å; F242-L249 HydrophobicContact CE1-CD2 4.33Å; F242-L249 HydrophobicContact CE1-CG 4.38Å; F242-L249 HydrophobicContact CG-CD1 3.86Å; F242-L249 HydrophobicContact CG-CG 4.37Å; F242-M250 CarbonylContact C-O 3.54Å; F242-M250 VanDerWaalsContact CA-O 3.29Å; F242-M250 WeakPolarHBondContact CA-O 3.39Å; F242-I253 HydrophobicContact CZ-CD1 4.36Å; F242-I253 HydrophobicContact CZ-CG1 3.84Å; F242-I262 HydrophobicContact CE1-CB 4.22Å; F242-I262 HydrophobicContact CE1-CD1 3.73Å; F242-I262 HydrophobicContact CZ-CD1 3.8Å
243	S	55	Low	54.6	Low	29 Å²	29	53.8 Å²	53.8	20%	0.203	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	148.2	166.6	-174	0	0	0	0	110.6	C226 C245 M250	C226-S243 PolarHBondContact O-OG 2.79Å; S243-C245 WeakPolarHBondContact OG-CB 3.38Å; S243-C245 PolarHBondContact OG-N 2.87Å; S243-C245 PolarHBondContact OG-SG 2.66Å; S243-M250 PolarHBondContact N-O 2.93Å; S243-M250 PolarHBondContact O-N 2.94Å
244	T	56.4	Low	54.1	Low	40 Å²	40	52.6 Å²	52.6	25%	0.245	33%	0.333	C	S	.	.			trans	-118.3	8.9	166.7	66.7	0	0	0	0	112.6	C226 Y228 G246 G247 G248	C226-T244 PolarHBondContact O-N 3.14Å; C226-T244 PolarHBondContact O-OG1 2.86Å; Y228-T244 HydrophobicContact CD2-CG2 4.11Å; Y228-T244 HydrophobicContact CE2-CG2 3.84Å; T244-G246 PolarHBondContact O-N 2.89Å; T244-G246 VanDerWaalsContact O-N 3.09Å; T244-G247 PolarHBondContact O-N 2.93Å; T244-G248 WeakPolarHBondContact CA-O 3.47Å
245	C	50.4	Low	54.5	Low	44 Å²	44	44.7 Å²	44.7	30%	0.297	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-23.5	-175.4	-59.6	0	0	0	0	113.9	C226 F227 S243	C226-C245 HydrophobicContact CB-CB 3.88Å; C226-C245 WeakPolarHBondContact CB-SG 3.17Å; C226-C245 PolarHBondContact O-SG 2.93Å; C226-C245 VanDerWaalsContact O-SG 3.39Å; C226-C245 WeakPolarHBondContact SG-CA 3.34Å; C226-C245 WeakPolarHBondContact SG-CB 3.48Å; C226-C245 CovalentContact SG-SG 2.03Å; C226-C245 PolarHBondContact SG-SG 2.85Å; F227-C245 VanDerWaalsContact CZ-SG 3.55Å; S243-C245 WeakPolarHBondContact OG-CB 3.38Å; S243-C245 PolarHBondContact OG-N 2.87Å; S243-C245 PolarHBondContact OG-SG 2.66Å
246	G	44.2	Very low	54.7	Low	71 Å²	71	46.8 Å²	46.8	73%	0.732	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	4.4	174.6	0	0	0	0	0	115.5	T244 G248	T244-G246 PolarHBondContact O-N 2.89Å; T244-G246 VanDerWaalsContact O-N 3.09Å; G246-G248 VanDerWaalsContact C-N 3.32Å; G246-G248 PolarHBondContact O-N 2.99Å
247	G	44.8	Very low	54.9	Low	61 Å²	61	46.1 Å²	46.1	63%	0.629	30%	0.304	S	S	*	.	S	Bend	trans	83.9	-9.8	179.4	0	0	0	0	0	116.6	T244	T244-G247 PolarHBondContact O-N 2.93Å
248	G	50.9	Low	55	Low	15 Å²	15	44.9 Å²	44.9	16%	0.155	28%	0.279	C	S	.	.	S	Bend	trans	-99.1	173.5	164.9	0	0	0	0	0	112.5	T244 G246	T244-G248 WeakPolarHBondContact CA-O 3.47Å; G246-G248 VanDerWaalsContact C-N 3.32Å; G246-G248 PolarHBondContact O-N 2.99Å
249	L	54.4	Low	55	Low	27 Å²	27	47.6 Å²	47.6	14%	0.141	29%	0.29	C	S	.	.			trans	-93.4	110.1	165.7	-177.2	77.6	0	0	0	108.5	F45 L173 F242 I262 H276	F45-L249 HydrophobicContact CZ-CD2 4.47Å; L173-L249 HydrophobicContact CD2-CD2 3.52Å; F242-L249 HydrophobicContact CB-CD1 3.79Å; F242-L249 HydrophobicContact CD1-CD1 3.91Å; F242-L249 HydrophobicContact CD1-CD2 4.31Å; F242-L249 HydrophobicContact CD1-CG 3.9Å; F242-L249 HydrophobicContact CE1-CD2 4.33Å; F242-L249 HydrophobicContact CE1-CG 4.38Å; F242-L249 HydrophobicContact CG-CD1 3.86Å; F242-L249 HydrophobicContact CG-CG 4.37Å; L249-I262 HydrophobicContact CD2-CG2 4.18Å; L249-H276 PolarHBondContact O-CD2 2.98Å
250	M	51.1	Low	55.5	Low	107 Å²	107	44.8 Å²	44.8	53%	0.527	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130.2	178.8	-178.9	-179.5	-76.1	0	0	110.1	F242 S243 I262 P264	F242-M250 CarbonylContact C-O 3.54Å; F242-M250 VanDerWaalsContact CA-O 3.29Å; F242-M250 WeakPolarHBondContact CA-O 3.39Å; S243-M250 PolarHBondContact N-O 2.93Å; S243-M250 PolarHBondContact O-N 2.94Å; M250-I262 WeakPolarHBondContact CA-O 3.48Å; M250-P264 HydrophobicContact CE-CG 4.5Å
251	G	58.2	Low	55.6	Low	17 Å²	17	47.4 Å²	47.4	18%	0.175	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.6	-160.7	178.7	0	0	0	0	0	114.3	S241 I262	S241-G251 CarbonylContact O-C 3.46Å; S241-G251 WeakPolarHBondContact O-CA 3.26Å; G251-I262 PolarHBondContact N-O 2.83Å; G251-I262 PolarHBondContact O-N 2.84Å; G251-I262 VanDerWaalsContact O-O 3.11Å
252	F	54.3	Low	55.6	Low	51 Å²	51	45.6 Å²	45.6	22%	0.224	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	157.9	-174	75.5	-86.6	0	0	0	113	A240 S241 Q254 F259 I260 F261	A240-F252 VanDerWaalsContact CA-O 3.24Å; A240-F252 WeakPolarHBondContact CA-O 3.45Å; S241-F252 PolarHBondContact N-O 2.76Å; S241-F252 PolarHBondContact O-N 2.84Å; F252-Q254 HydrophobicContact CE2-CB 4.44Å; F252-F259 AromaticContact CD2-CD1 3.8Å; F252-F259 HydrophobicContact CD2-CD1 3.8Å; F252-F259 AromaticContact CD2-CE1 3.96Å; F252-F259 HydrophobicContact CD2-CE1 3.96Å; F252-F259 HydrophobicContact CE2-CD1 4.2Å; F252-F259 AromaticContact CE2-CE1 3.86Å; F252-F259 HydrophobicContact CE2-CE1 3.86Å; F252-I260 CarbonylContact C-O 3.53Å; F252-I260 WeakPolarHBondContact CA-O 3.42Å; F252-F261 HydrophobicContact CB-CD1 3.65Å; F252-F261 HydrophobicContact CB-CE1 3.86Å; F252-F261 HydrophobicContact CB-CG 4.49Å
253	I	67.9	Low	55.5	Low	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	120.6	172.8	-50	168.4	0	0	0	107.3	I175 L182 L184 V232 A240 F242 L255 I260 I262	I175-I253 HydrophobicContact CD1-CD1 4.38Å; L182-I253 HydrophobicContact CD1-CD1 4.07Å; L184-I253 HydrophobicContact CD1-CD1 3.72Å; L184-I253 HydrophobicContact CD1-CG1 4.48Å; L184-I253 HydrophobicContact CD2-CD1 3.77Å; L184-I253 HydrophobicContact CD2-CG1 3.81Å; L184-I253 HydrophobicContact CD2-CG2 4.17Å; L184-I253 HydrophobicContact CG-CD1 4.27Å; V232-I253 HydrophobicContact CG2-CG2 3.41Å; V232-I253 VanDerWaalsContact CG2-CG2 3.41Å; A240-I253 HydrophobicContact CB-CG1 4.16Å; A240-I253 HydrophobicContact CB-CG2 4.49Å; F242-I253 HydrophobicContact CZ-CD1 4.36Å; F242-I253 HydrophobicContact CZ-CG1 3.84Å; I253-L255 HydrophobicContact CG2-CG 4.18Å; I253-I260 HydrophobicContact CB-CB 4.38Å; I253-I260 PolarHBondContact N-O 2.85Å; I253-I260 PolarHBondContact O-N 2.83Å; I253-I262 HydrophobicContact CD1-CD1 3.5Å; I253-I262 HydrophobicContact CG1-CD1 3.86Å
254	Q	56.7	Low	55.3	Low	47 Å²	47	47.4 Å²	47.4	22%	0.22	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	121.3	168.2	-174	179.2	-5.4	0	0	109.6	S238 L239 F252 N256 F259	S238-Q254 VanDerWaalsContact CA-O 3.31Å; S238-Q254 WeakPolarHBondContact CA-O 3.41Å; S238-Q254 VanDerWaalsContact CB-O 3.27Å; S238-Q254 WeakPolarHBondContact CB-O 3.43Å; L239-Q254 PolarHBondContact N-O 2.81Å; L239-Q254 PolarHBondContact O-N 3.46Å; F252-Q254 HydrophobicContact CE2-CB 4.44Å; Q254-N256 WeakPolarHBondContact CG-O 3.49Å; Q254-N256 PolarHBondContact NE2-O 2.89Å; Q254-F259 HydrophobicContact CB-CD1 4.22Å; Q254-F259 HydrophobicContact CB-CE1 3.96Å; Q254-F259 HydrophobicContact CB-CZ 4.27Å; Q254-F259 VanDerWaalsContact CD-CZ 3.48Å; Q254-F259 HydrophobicContact CG-CD1 4.44Å; Q254-F259 HydrophobicContact CG-CD2 4.45Å; Q254-F259 HydrophobicContact CG-CE1 4.03Å; Q254-F259 HydrophobicContact CG-CE2 4.04Å; Q254-F259 HydrophobicContact CG-CZ 3.82Å
255	L	62.2	Low	54.9	Low	28 Å²	28	48.9 Å²	48.9	15%	0.147	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	98	172	-74.4	174.5	0	0	0	108.4	L182 V232 H235 I253 E257 D258 I260	L182-L255 HydrophobicContact CD1-CD1 4.25Å; L182-L255 HydrophobicContact CD2-CD1 4.02Å; V232-L255 HydrophobicContact CB-CD2 4.2Å; V232-L255 HydrophobicContact CG1-CD2 4.41Å; V232-L255 HydrophobicContact CG2-CD2 3.97Å; H235-L255 HydrophobicContact CB-CD2 3.96Å; I253-L255 HydrophobicContact CG2-CG 4.18Å; L255-E257 PolarHBondContact O-N 3.04Å; L255-E257 VanDerWaalsContact O-N 3.17Å; L255-D258 PolarHBondContact N-O 2.82Å; L255-D258 PolarHBondContact O-N 2.89Å; L255-I260 HydrophobicContact CD1-CD1 3.87Å
256	N	64.7	Low	54.7	Low	118 Å²	118	53.1 Å²	53.1	63%	0.631	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	-111.4	-173	-51.8	-19.6	0	0	0	111.3	Q254	Q254-N256 WeakPolarHBondContact CG-O 3.49Å; Q254-N256 PolarHBondContact NE2-O 2.89Å
257	E	53.9	Low	54.5	Low	112 Å²	112	56.1 Å²	56.1	52%	0.523	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-10.2	176.1	-57.6	-159.9	163.4	0	0	113.8	L255 R283	L255-E257 PolarHBondContact O-N 3.04Å; L255-E257 VanDerWaalsContact O-N 3.17Å; E257-R283 IonicContact OE1-NH1 2.8Å; E257-R283 PolarHBondContact OE1-NH1 2.03Å; E257-R283 VanDerWaalsContact OE2-CD 3.27Å; E257-R283 WeakPolarHBondContact OE2-CD 3.25Å; E257-R283 IonicContact OE2-CZ 3.63Å; E257-R283 IonicContact OE2-NE 3.6Å; E257-R283 IonicContact OE2-NH1 3.78Å; E257-R283 PolarHBondContact OE2-NH1 3.39Å
258	D	50.6	Low	53.7	Low	54 Å²	54	58.7 Å²	58.7	29%	0.289	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	138.1	177	-78.1	-26.3	0	0	0	111	L255 R280 K282	L255-D258 PolarHBondContact N-O 2.82Å; L255-D258 PolarHBondContact O-N 2.89Å; D258-R280 HydrophobicContact CB-CG 4.43Å; D258-K282 WeakPolarHBondContact OD1-CG 3.48Å
259	F	53.4	Low	53	Low	67 Å²	67	67 Å²	67	29%	0.294	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.2	169.5	-74.6	-103.2	0	0	0	110.5	F252 Q254 F261 R280 Q281	F252-F259 AromaticContact CD2-CD1 3.8Å; F252-F259 HydrophobicContact CD2-CD1 3.8Å; F252-F259 AromaticContact CD2-CE1 3.96Å; F252-F259 HydrophobicContact CD2-CE1 3.96Å; F252-F259 HydrophobicContact CE2-CD1 4.2Å; F252-F259 AromaticContact CE2-CE1 3.86Å; F252-F259 HydrophobicContact CE2-CE1 3.86Å; Q254-F259 HydrophobicContact CB-CD1 4.22Å; Q254-F259 HydrophobicContact CB-CE1 3.96Å; Q254-F259 HydrophobicContact CB-CZ 4.27Å; Q254-F259 VanDerWaalsContact CD-CZ 3.48Å; Q254-F259 HydrophobicContact CG-CD1 4.44Å; Q254-F259 HydrophobicContact CG-CD2 4.45Å; Q254-F259 HydrophobicContact CG-CE1 4.03Å; Q254-F259 HydrophobicContact CG-CE2 4.04Å; Q254-F259 HydrophobicContact CG-CZ 3.82Å; F259-F261 HydrophobicContact CB-CD2 4.33Å; F259-F261 HydrophobicContact CB-CE2 3.55Å; F259-F261 HydrophobicContact CB-CZ 3.78Å; F259-F261 HydrophobicContact CD1-CZ 4.23Å; F259-F261 HydrophobicContact CG-CZ 4.3Å; F259-R280 WeakPolarHBondContact O-CA 3.47Å; F259-Q281 PolarHBondContact N-O 2.93Å; F259-Q281 PolarHBondContact O-N 3.24Å
260	I	62.8	Low	51.6	Low	8 Å²	8	69.1 Å²	69.1	4%	0.041	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	119.3	171.5	-64.5	171.9	0	0	0	107.5	F178 L182 F252 I253 L255 V278 Y279 R280	F178-I260 HydrophobicContact CD2-CD1 3.95Å; F178-I260 HydrophobicContact CD2-CG1 4.45Å; F178-I260 HydrophobicContact CE2-CB 4.5Å; F178-I260 HydrophobicContact CE2-CD1 3.83Å; F178-I260 HydrophobicContact CE2-CG1 3.9Å; F178-I260 HydrophobicContact CE2-CG2 3.83Å; L182-I260 HydrophobicContact CD1-CD1 3.88Å; F252-I260 CarbonylContact C-O 3.53Å; F252-I260 WeakPolarHBondContact CA-O 3.42Å; I253-I260 HydrophobicContact CB-CB 4.38Å; I253-I260 PolarHBondContact N-O 2.85Å; I253-I260 PolarHBondContact O-N 2.83Å; L255-I260 HydrophobicContact CD1-CD1 3.87Å; I260-V278 HydrophobicContact CG2-CG1 3.61Å; I260-Y279 WeakPolarHBondContact CA-O 3.3Å; I260-R280 HydrophobicContact CG1-CB 4.23Å; I260-R280 HydrophobicContact CG1-CG 4.09Å
261	F	58.8	Low	50.4	Low	56 Å²	56	71.3 Å²	71.3	25%	0.246	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	144.2	179.6	-63.3	-85.1	0	0	0	110.4	F252 F259 V278 Y279 Q281	F252-F261 HydrophobicContact CB-CD1 3.65Å; F252-F261 HydrophobicContact CB-CE1 3.86Å; F252-F261 HydrophobicContact CB-CG 4.49Å; F259-F261 HydrophobicContact CB-CD2 4.33Å; F259-F261 HydrophobicContact CB-CE2 3.55Å; F259-F261 HydrophobicContact CB-CZ 3.78Å; F259-F261 HydrophobicContact CD1-CZ 4.23Å; F259-F261 HydrophobicContact CG-CZ 4.3Å; F261-V278 WeakPolarHBondContact O-CA 3.47Å; F261-Y279 HydrophobicContact CB-CD1 4.07Å; F261-Y279 HydrophobicContact CB-CD2 4.28Å; F261-Y279 HydrophobicContact CB-CE1 3.54Å; F261-Y279 HydrophobicContact CB-CE2 3.77Å; F261-Y279 HydrophobicContact CB-CG 4.42Å; F261-Y279 HydrophobicContact CD2-CD2 4.05Å; F261-Y279 AromaticContact CD2-CE2 3.45Å; F261-Y279 HydrophobicContact CD2-CE2 3.45Å; F261-Y279 VanDerWaalsContact CD2-CE2 3.45Å; F261-Y279 AromaticContact CD2-CZ 3.87Å; F261-Y279 HydrophobicContact CE2-CE2 4.31Å; F261-Y279 HydrophobicContact CG-CE1 4.42Å; F261-Y279 AromaticContact CG-CE2 3.85Å; F261-Y279 HydrophobicContact CG-CE2 3.85Å; F261-Y279 AromaticContact CG-CZ 3.76Å; F261-Y279 PolarHBondContact N-O 2.88Å; F261-Y279 PolarHBondContact O-N 2.88Å; F261-Q281 HydrophobicContact CE2-CB 4.32Å
262	I	60.6	Low	49	Very low	2 Å²	2	75.7 Å²	75.7	1%	0.01	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	124.5	-179.2	-65	137.9	0	0	0	108.4	I175 F242 L249 M250 G251 I253 H276 R277 V278	I175-I262 HydrophobicContact CD1-CD1 3.41Å; I175-I262 VanDerWaalsContact CD1-CD1 3.41Å; I175-I262 HydrophobicContact CD1-CG1 4.2Å; F242-I262 HydrophobicContact CE1-CB 4.22Å; F242-I262 HydrophobicContact CE1-CD1 3.73Å; F242-I262 HydrophobicContact CZ-CD1 3.8Å; L249-I262 HydrophobicContact CD2-CG2 4.18Å; M250-I262 WeakPolarHBondContact CA-O 3.48Å; G251-I262 PolarHBondContact N-O 2.83Å; G251-I262 PolarHBondContact O-N 2.84Å; G251-I262 VanDerWaalsContact O-O 3.11Å; I253-I262 HydrophobicContact CD1-CD1 3.5Å; I253-I262 HydrophobicContact CG1-CD1 3.86Å; I262-H276 HydrophobicContact CG2-CB 4.18Å; I262-R277 WeakPolarHBondContact CA-O 3.42Å; I262-V278 HydrophobicContact CG1-CG1 4.08Å; I262-V278 HydrophobicContact CG1-CG2 4.06Å
263	E	53.7	Low	48.4	Very low	48 Å²	48	74.9 Å²	74.9	22%	0.224	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	148.8	-179.6	65	-168.9	157.8	0	0	110.7	H276 R277 Y279	E263-H276 CarbonylContact O-C 3.4Å; E263-H276 WeakPolarHBondContact O-CA 3.11Å; E263-H276 WeakPolarHBondContact O-CB 3.49Å; E263-R277 HydrophobicContact CG-CB 4.07Å; E263-R277 PolarHBondContact N-O 2.84Å; E263-R277 PolarHBondContact O-N 2.83Å; E263-R277 IonicContact OE1-CZ 2.75Å; E263-R277 IonicContact OE1-NE 3.16Å; E263-R277 PolarHBondContact OE1-NE 3.06Å; E263-R277 IonicContact OE1-NH2 3.29Å; E263-R277 PolarHBondContact OE1-NH2 3.12Å; E263-R277 IonicContact OE2-NH2 2.71Å; E263-Y279 WeakPolarHBondContact OE1-CE1 3.37Å
264	P	52.2	Low	47.5	Very low	23 Å²	23	77.5 Å²	77.5	15%	0.149	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	144.2	175.5	30.6	-35.5	0	0	0	110.9	M250 N266	M250-P264 HydrophobicContact CE-CG 4.5Å; P264-N266 PolarHBondContact O-N 2.89Å
265	L	47.4	Very low	47.2	Very low	71 Å²	71	77.5 Å²	77.5	37%	0.372	43%	0.426	S	S	.	.	S	Bend	trans	-78.6	-13.5	-174	-146.9	76.9	0	0	0	114.9	P275 R277	L265-P275 HydrophobicContact CB-CB 4.33Å; L265-P275 HydrophobicContact CB-CG 3.84Å; L265-P275 WeakPolarHBondContact CB-O 3.32Å; L265-P275 HydrophobicContact CD2-CB 4.24Å; L265-P275 HydrophobicContact CD2-CG 3.96Å; L265-P275 PolarHBondContact N-O 2.81Å; L265-P275 VanDerWaalsContact N-O 3.11Å; L265-R277 HydrophobicContact CD1-CB 3.81Å
266	N	45.6	Very low	46.9	Very low	132 Å²	132	76.4 Å²	76.4	71%	0.706	42%	0.42	S	S	*	.	S	Bend	trans	-163.1	149	-178.4	-90.2	-57.3	0	0	0	112.3	P264	P264-N266 PolarHBondContact O-N 2.89Å
267	D	41.4	Very low	46.8	Very low	135 Å²	135	76 Å²	76	72%	0.722	41%	0.41	S	S	*	.			trans	-94.5	90	-178.2	-69.9	-52.6	0	0	0	113.6
268	T	27.1	Very low	47.1	Very low	115 Å²	115	70.7 Å²	70.7	71%	0.706	39%	0.385	S	S	*	.			trans	-145	150.3	166.1	49.5	0	0	0	0	112.6
269	M	35.9	Very low	47.8	Very low	190 Å²	190	70.4 Å²	70.4	94%	0.936	38%	0.38	S	S	*	.			trans	-100.8	88.3	-172.9	-60.9	-178.5	81.9	0	0	113.7
270	A	24.2	Very low	48	Very low	71 Å²	71	68.5 Å²	68.5	59%	0.587	37%	0.371	S	S	*	.			trans	-167.7	122.9	152.2	0	0	0	0	0	115.4
271	I	27.8	Very low	47.3	Very low	153 Å²	153	72.9 Å²	72.9	79%	0.785	39%	0.391	S	S	*	.	S	Bend	trans	44.8	98.6	143	-50.7	177	0	0	0	118.1
272	T	27.1	Very low	46.6	Very low	108 Å²	108	74.7 Å²	74.7	66%	0.663	40%	0.399	S	S	*	.	S	Bend	trans	53.6	108.3	156.4	61	0	0	0	0	119
273	G	43.1	Very low	45.3	Very low	35 Å²	35	81.8 Å²	81.8	36%	0.361	43%	0.426	S	S	.	.			trans	140.2	9.1	159	0	0	0	0	0	117.5
274	H	48.5	Very low	44.2	Very low	55 Å²	55	84.7 Å²	84.7	26%	0.255	45%	0.451	S	S	.	.			trans	-60.4	136.8	-171.3	-53.7	123.1	0	0	0	114.1	H276	H274-H276 PolarHBondContact O-CE1 2.92Å; H274-H276 VanDerWaalsContact O-CE1 3.28Å; H274-H276 PolarHBondContact O-ND1 3Å
275	P	50.3	Low	43.2	Very low	47 Å²	47	89.7 Å²	89.7	31%	0.305	47%	0.474	S	S	.	.			trans	-69.1	148.7	163	31.5	-33.7	0	0	0	110.2	V44 L265	V44-P275 HydrophobicContact CG2-CB 4.18Å; L265-P275 HydrophobicContact CB-CB 4.33Å; L265-P275 HydrophobicContact CB-CG 3.84Å; L265-P275 WeakPolarHBondContact CB-O 3.32Å; L265-P275 HydrophobicContact CD2-CB 4.24Å; L265-P275 HydrophobicContact CD2-CG 3.96Å; L265-P275 PolarHBondContact N-O 2.81Å; L265-P275 VanDerWaalsContact N-O 3.11Å
276	H	56.7	Low	42.2	Very low	5 Å²	5	93 Å²	93	2%	0.023	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.9	175.7	-61.1	73.7	0	0	0	109.2	V43 F45 L249 I262 E263 H274	V43-H276 PolarHBondContact N-O 2.81Å; V43-H276 PolarHBondContact O-N 3.32Å; F45-H276 HydrophobicContact CE1-CB 3.81Å; F45-H276 AromaticContact CE1-CG 3.82Å; F45-H276 AromaticContact CE1-ND1 3.61Å; F45-H276 AromaticContact CE2-CE1 3.99Å; F45-H276 AromaticContact CE2-ND1 3.87Å; F45-H276 HydrophobicContact CZ-CB 4.17Å; F45-H276 AromaticContact CZ-CE1 3.79Å; F45-H276 AromaticContact CZ-CG 3.69Å; F45-H276 AromaticContact CZ-ND1 3.36Å; F45-H276 WeakPolarHBondContact CZ-ND1 3.5Å; L249-H276 PolarHBondContact O-CD2 2.98Å; I262-H276 HydrophobicContact CG2-CB 4.18Å; E263-H276 CarbonylContact O-C 3.4Å; E263-H276 WeakPolarHBondContact O-CA 3.11Å; E263-H276 WeakPolarHBondContact O-CB 3.49Å; H274-H276 PolarHBondContact O-CE1 2.92Å; H274-H276 VanDerWaalsContact O-CE1 3.28Å; H274-H276 PolarHBondContact O-ND1 3Å
277	R	61.5	Low	41.6	Very low	110 Å²	110	94.8 Å²	94.8	42%	0.415	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	132.6	169.6	-173.9	163	61.5	-178.1	-2.9	108.2	I262 E263 L265 Y279	I262-R277 WeakPolarHBondContact CA-O 3.42Å; E263-R277 HydrophobicContact CG-CB 4.07Å; E263-R277 PolarHBondContact N-O 2.84Å; E263-R277 PolarHBondContact O-N 2.83Å; E263-R277 IonicContact OE1-CZ 2.75Å; E263-R277 IonicContact OE1-NE 3.16Å; E263-R277 PolarHBondContact OE1-NE 3.06Å; E263-R277 IonicContact OE1-NH2 3.29Å; E263-R277 PolarHBondContact OE1-NH2 3.12Å; E263-R277 IonicContact OE2-NH2 2.71Å; L265-R277 HydrophobicContact CD1-CB 3.81Å; R277-Y279 HydrophobicContact CG-CD1 4.24Å
278	V	61	Low	40.9	Very low	0 Å²	0	96.6 Å²	96.6	0%	0	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	111.2	177.1	-170.8	0	0	0	0	108.9	W41 V43 I175 A177 F178 I260 F261 I262	W41-V278 PolarHBondContact N-O 3.05Å; W41-V278 PolarHBondContact O-N 3.23Å; V43-V278 HydrophobicContact CB-CG2 4.11Å; V43-V278 HydrophobicContact CG2-CB 4.09Å; V43-V278 HydrophobicContact CG2-CG2 3.87Å; I175-V278 HydrophobicContact CG2-CG2 4.48Å; A177-V278 HydrophobicContact CB-CB 4.44Å; A177-V278 HydrophobicContact CB-CG1 3.76Å; F178-V278 HydrophobicContact CE2-CG1 3.94Å; F178-V278 HydrophobicContact CZ-CG1 4.11Å; I260-V278 HydrophobicContact CG2-CG1 3.61Å; F261-V278 WeakPolarHBondContact O-CA 3.47Å; I262-V278 HydrophobicContact CG1-CG1 4.08Å; I262-V278 HydrophobicContact CG1-CG2 4.06Å
279	Y	65.4	Low	40.9	Very low	48 Å²	48	96.4 Å²	96.4	19%	0.188	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	143.7	-177.1	65.4	-87.5	0	0	0	111.3	I260 F261 E263 R277	I260-Y279 WeakPolarHBondContact CA-O 3.3Å; F261-Y279 HydrophobicContact CB-CD1 4.07Å; F261-Y279 HydrophobicContact CB-CD2 4.28Å; F261-Y279 HydrophobicContact CB-CE1 3.54Å; F261-Y279 HydrophobicContact CB-CE2 3.77Å; F261-Y279 HydrophobicContact CB-CG 4.42Å; F261-Y279 HydrophobicContact CD2-CD2 4.05Å; F261-Y279 AromaticContact CD2-CE2 3.45Å; F261-Y279 HydrophobicContact CD2-CE2 3.45Å; F261-Y279 VanDerWaalsContact CD2-CE2 3.45Å; F261-Y279 AromaticContact CD2-CZ 3.87Å; F261-Y279 HydrophobicContact CE2-CE2 4.31Å; F261-Y279 HydrophobicContact CG-CE1 4.42Å; F261-Y279 AromaticContact CG-CE2 3.85Å; F261-Y279 HydrophobicContact CG-CE2 3.85Å; F261-Y279 AromaticContact CG-CZ 3.76Å; F261-Y279 PolarHBondContact N-O 2.88Å; F261-Y279 PolarHBondContact O-N 2.88Å; E263-Y279 WeakPolarHBondContact OE1-CE1 3.37Å; R277-Y279 HydrophobicContact CG-CD1 4.24Å
280	R	56.7	Low	40.4	Very low	27 Å²	27	93 Å²	93	10%	0.102	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.3	178.3	-174.2	-170.4	70.6	-127.9	-4	109.5	E39 F178 D258 F259 I260	E39-R280 IonicContact OE2-CZ 2.71Å; E39-R280 IonicContact OE2-NH1 2.98Å; E39-R280 PolarHBondContact OE2-NH1 3.24Å; E39-R280 IonicContact OE2-NH2 3.7Å; E39-R280 PolarHBondContact OE2-NH2 3.27Å; F178-R280 HydrophobicContact CD1-CB 4.42Å; F178-R280 HydrophobicContact CE1-CB 3.82Å; F178-R280 HydrophobicContact CE2-CB 4.05Å; F178-R280 HydrophobicContact CZ-CB 3.63Å; D258-R280 HydrophobicContact CB-CG 4.43Å; F259-R280 WeakPolarHBondContact O-CA 3.47Å; I260-R280 HydrophobicContact CG1-CB 4.23Å; I260-R280 HydrophobicContact CG1-CG 4.09Å
281	Q	47.6	Very low	40.4	Very low	100 Å²	100	98.2 Å²	98.2	47%	0.467	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	112.1	170.7	-173	165	-13.5	0	0	109	F259 F261	F259-Q281 PolarHBondContact N-O 2.93Å; F259-Q281 PolarHBondContact O-N 3.24Å; F261-Q281 HydrophobicContact CE2-CB 4.32Å
282	K	43.8	Very low	40.5	Very low	94 Å²	94	100.8 Å²	100.8	41%	0.409	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-79.3	151	170	-82.5	-175.8	172.9	176.3	0	110.5	D37 D258 S284	D37-K282 HydrophobicContact CB-CD 4.22Å; D37-K282 WeakPolarHBondContact OD2-CD 3.45Å; D37-K282 WeakPolarHBondContact OD2-CE 3.48Å; D37-K282 IonicContact OD2-NZ 3.45Å; D37-K282 PolarHBondContact OD2-NZ 2.97Å; D258-K282 WeakPolarHBondContact OD1-CG 3.48Å; K282-S284 PolarHBondContact O-N 2.89Å
283	R	33.9	Very low	40.3	Very low	151 Å²	151	101.6 Å²	101.6	57%	0.57	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-70.1	120.5	170.7	-174.7	-178.3	-174.1	-178.6	2.1	110.4	E257 M285	E257-R283 IonicContact OE1-NH1 2.8Å; E257-R283 PolarHBondContact OE1-NH1 2.03Å; E257-R283 VanDerWaalsContact OE2-CD 3.27Å; E257-R283 WeakPolarHBondContact OE2-CD 3.25Å; E257-R283 IonicContact OE2-CZ 3.63Å; E257-R283 IonicContact OE2-NE 3.6Å; E257-R283 IonicContact OE2-NH1 3.78Å; E257-R283 PolarHBondContact OE2-NH1 3.39Å; R283-M285 HydrophobicContact CG-CG 4.22Å
284	S	31.4	Very low	39.7	Very low	108 Å²	108	104.3 Å²	104.3	76%	0.755	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-78.3	129.9	160.9	-171.2	0	0	0	0	108.9	K282	K282-S284 PolarHBondContact O-N 2.89Å
285	M	30.3	Very low	38.5	Very low	129 Å²	129	110 Å²	110	64%	0.635	56%	0.56	S	S	*	*			trans	-113	92.5	169.9	-77.1	-176.6	58.5	0	0	108.9	R283	R283-M285 HydrophobicContact CG-CG 4.22Å
286	E	27.4	Very low	37.3	Very low	139 Å²	139	116.9 Å²	116.9	65%	0.65	59%	0.588	S	S	*	*			trans	-88	111.6	154.8	-73.5	-156.4	151.4	0	0	108.7	K288	E286-K288 PolarHBondContact O-N 3.24Å; E286-K288 IonicContact OE2-NZ 2.64Å; E286-K288 PolarHBondContact OE2-NZ 2.93Å
287	E	32.5	Very low	35.7	Very low	170 Å²	170	122 Å²	122	79%	0.794	62%	0.624	S	S	*	*			trans	-71.2	123.6	160.4	-68.3	-175.7	120.7	0	0	108.7
288	K	26.6	Very low	34	Very low	173 Å²	173	125.4 Å²	125.4	75%	0.752	64%	0.644	S	S	*	*			trans	-119.8	133.5	162.1	-84.4	172	176.7	137.5	0	109.9	E286	E286-K288 PolarHBondContact O-N 3.24Å; E286-K288 IonicContact OE2-NZ 2.64Å; E286-K288 PolarHBondContact OE2-NZ 2.93Å
289	V	26.4	Very low	32.4	Very low	112 Å²	112	135 Å²	135	68%	0.679	68%	0.682	S	S	*	*			trans	-122.5	152.7	-165	165	0	0	0	0	107.9
290	T	26.5	Very low	30.5	Very low	118 Å²	118	138.4 Å²	138.4	72%	0.724	71%	0.711	S	S	*	*			trans	64.3	148.3	175.2	43	0	0	0	0	116
291	E	24.2	Very low	29	Very low	181 Å²	181	139.6 Å²	139.6	85%	0.846	73%	0.732	S	S	*	*			cis	-151.2	177.3	-5.4	-138.6	155.8	-156.1	0	0	112.3
292	K	30.3	Very low	28.1	Very low	206 Å²	206	142 Å²	142	90%	0.896	75%	0.746	S	S	*	*			trans	-86.1	143.5	-179	-64.9	178.2	178.7	178.3	0	113
293	S	23	Very low	27.3	Very low	126 Å²	126	142.9 Å²	142.9	88%	0.881	75%	0.754	S	S	*	*			trans	-149.3	155.2	134.4	-164.9	0	0	0	0	109.9
294	A	29.2	Very low	27.2	Very low	92 Å²	92	140 Å²	140	76%	0.76	76%	0.758	S	S	*	*			trans	-139	143.6	-176.1	0	0	0	0	0	111.3
295	L	24	Very low	27.1	Very low	173 Å²	173	142.6 Å²	142.6	91%	0.906	76%	0.763	S	S	*	*			trans	-143.4	152.2	165.7	-141.7	73.5	0	0	0	110
296	H	25.8	Very low	27.3	Very low	193 Å²	193	145.5 Å²	145.5	89%	0.894	77%	0.772	S	S	*	*			trans	-77.6	148.7	-171.7	-75.9	28.3	0	0	0	113.9
297	S	22.7	Very low	27.4	Very low	111 Å²	111	142.6 Å²	142.6	78%	0.776	78%	0.779	S	S	*	*				-153.8	143.4	125	-158.4	0	0	0	0	113.2
298	H	26.3	Very low	27.2	Very low	183 Å²	183	146.1 Å²	146.1	85%	0.847	79%	0.785	S	S	*	*			trans	-11.2	130.1	178.5	-67	-79.7	0	0	0	123.4
299	Y	26.5	Very low	27.9	Very low	202 Å²	202	143.7 Å²	143.7	79%	0.792	79%	0.787	S	S	*	*			trans	-67.5	153.2	155.3	-106.4	-112.8	0	0	0	113.1
300	C	25.1	Very low	28	Very low	118 Å²	118	150.1 Å²	150.1	80%	0.797	80%	0.799	S	S	*	*			trans	-117.6	160.8	142	-158.3	0	0	0	0	108.4
301	G	26.7	Very low	28.1	Very low	52 Å²	52	150.1 Å²	150.1	54%	0.536	80%	0.804	S	S	.	*			trans	-156.6	151.1	-163.8	0	0	0	0	0	118.8
302	I	27.2	Very low	28.7	Very low	151 Å²	151	152.7 Å²	152.7	77%	0.774	81%	0.806	S	S	*	*			trans	-22.5	125.3	175.9	-58.7	164	0	0	0	115.9
303	I	27.3	Very low	28.7	Very low	113 Å²	113	152.1 Å²	152.1	58%	0.579	80%	0.804	S	S	*	*			trans	-81.2	117.2	155.2	-65.9	-177.7	0	0	0	109	E400 H449	I303-E400 WeakPolarHBondContact CD1-OE1 3.35Å; I303-H449 WeakPolarHBondContact CD1-CE1 3.49Å
304	S	31	Very low	28.9	Very low	91 Å²	91	153.9 Å²	153.9	64%	0.636	80%	0.801	S	S	*	*			trans	-134.9	126	175	-173.2	0	0	0	0	109.7
305	D	29.3	Very low	29.3	Very low	162 Å²	162	153.9 Å²	153.9	87%	0.866	80%	0.801	S	S	*	*			trans	-77.5	148.9	-172.5	-165	12.5	0	0	0	112.7
306	K	35.8	Very low	29.4	Very low	190 Å²	190	155 Å²	155	83%	0.826	80%	0.802	S	S	*	*			trans	-106.2	102.1	-153.4	-70.4	174.3	-178.9	165	0	114.1
307	G	28.3	Very low	30	Very low	78 Å²	78	151.8 Å²	151.8	80%	0.804	80%	0.801	S	S	*	*			trans	-94.7	-8.4	-176.9	0	0	0	0	0	119.5
308	R	28.9	Very low	30.3	Very low	244 Å²	244	149.8 Å²	149.8	92%	0.921	80%	0.799	S	S	*	*			trans	61.2	155.8	-178.8	-75.8	-175.9	171.2	-179.1	-1.7	118.3
309	P	40.9	Very low	31.1	Very low	121 Å²	121	153 Å²	153	79%	0.786	80%	0.803	S	S	*	*			trans	-120.7	166.6	-167.1	42.1	-30.4	0	0	0	115.9
310	R	28.9	Very low	31.2	Very low	247 Å²	247	146.7 Å²	146.7	93%	0.932	80%	0.8	S	S	*	*			trans	-152.1	120.9	156.8	-125.5	175.9	-174.4	-174.7	1.1	115.8
311	S	28	Very low	31.7	Very low	119 Å²	119	148.6 Å²	148.6	83%	0.832	79%	0.794	S	S	*	*			trans	54.4	116.2	154.8	-150.7	0	0	0	0	121.7
312	R	37.3	Very low	32.1	Very low	234 Å²	234	157.9 Å²	157.9	88%	0.883	81%	0.813	S	S	*	*			trans	-69.3	142.8	155.4	-72.9	158.9	57.1	173.6	-1.9	110.5
313	K	29.7	Very low	32.5	Very low	195 Å²	195	158.2 Å²	158.2	85%	0.848	81%	0.806	S	S	*	*				-175.6	157.5	123.1	-112	178.9	-178.1	-178	0	115.1
314	I	27	Very low	32.8	Very low	162 Å²	162	158 Å²	158	83%	0.831	81%	0.814	S	S	*	*			trans	72.7	139.8	165.2	-64.4	156.2	0	0	0	114.8
315	A	38.3	Very low	33.4	Very low	92 Å²	92	162.6 Å²	162.6	76%	0.76	82%	0.819	S	S	*	*			trans	-107.2	151.7	-178.9	0	0	0	0	0	109.7
316	E	25.6	Very low	34.3	Very low	196 Å²	196	164 Å²	164	92%	0.916	82%	0.817	S	S	*	*			trans	-145.5	147.7	165.3	-145.4	166.3	-134.5	0	0	111.2	G318	E316-G318 VanDerWaalsContact C-N 3.31Å; E316-G318 PolarHBondContact O-N 3.45Å
317	S	38.8	Very low	35.3	Very low	126 Å²	126	156.8 Å²	156.8	88%	0.881	79%	0.788	S	S	*	*			trans	-81.8	72.1	-169.1	-166	0	0	0	0	112	R319	S317-R319 PolarHBondContact O-N 2.86Å
318	G	29.5	Very low	36.7	Very low	70 Å²	70	156.1 Å²	156.1	72%	0.722	77%	0.769	S	S	*	*			trans	-77.1	115.7	176.8	0	0	0	0	0	112.3	E316 G320	E316-G318 VanDerWaalsContact C-N 3.31Å; E316-G318 PolarHBondContact O-N 3.45Å; G318-G320 PolarHBondContact O-N 2.74Å
319	R	43.9	Very low	37.9	Very low	249 Å²	249	152.6 Å²	152.6	94%	0.94	76%	0.763	S	S	*	*			trans	-60	90.1	178.2	-74.3	175.2	169.4	151.2	-5.8	112.6	S317 K321	S317-R319 PolarHBondContact O-N 2.86Å; R319-K321 PolarHBondContact O-N 2.7Å
320	G	28.2	Very low	38.8	Very low	70 Å²	70	151 Å²	151	72%	0.722	75%	0.745	S	S	*	*			trans	-62.6	101.2	169.2	0	0	0	0	0	111.1	G318 R322	G318-G320 PolarHBondContact O-N 2.74Å; G320-R322 PolarHBondContact O-N 2.62Å; G320-R322 VanDerWaalsContact O-N 3.12Å
321	K	35	Very low	41	Very low	158 Å²	158	139.3 Å²	139.3	69%	0.687	70%	0.701	S	S	*	*			trans	-57.3	116.2	169.8	-76.7	-178.4	174.5	179.8	0	108.6	R319 Y323	R319-K321 PolarHBondContact O-N 2.7Å; K321-Y323 HydrophobicContact CB-CD2 3.89Å; K321-Y323 HydrophobicContact CB-CE2 3.88Å; K321-Y323 HydrophobicContact CD-CD2 4.32Å; K321-Y323 HydrophobicContact CD-CE2 3.46Å; K321-Y323 VanDerWaalsContact CD-CE2 3.46Å; K321-Y323 HydrophobicContact CG-CE2 4.35Å; K321-Y323 PolarHBondContact NZ-OH 2.04Å; K321-Y323 PolarHBondContact O-N 2.81Å
322	R	34.3	Very low	43.2	Very low	247 Å²	247	134.7 Å²	134.7	93%	0.932	67%	0.667	S	S	*	*			trans	-69.1	76.3	165.8	-67.3	-173.8	-172.3	171.4	2.3	109.5	G320 S324	G320-R322 PolarHBondContact O-N 2.62Å; G320-R322 VanDerWaalsContact O-N 3.12Å; R322-S324 VanDerWaalsContact C-N 3.27Å; R322-S324 PolarHBondContact O-N 3.48Å
323	Y	35.5	Very low	45.3	Very low	158 Å²	158	123.5 Å²	123.5	62%	0.62	63%	0.625	S	S	*	*			trans	-66.7	96.8	155.5	-76.9	-77.2	0	0	0	106.8	K321 Y325	K321-Y323 HydrophobicContact CB-CD2 3.89Å; K321-Y323 HydrophobicContact CB-CE2 3.88Å; K321-Y323 HydrophobicContact CD-CD2 4.32Å; K321-Y323 HydrophobicContact CD-CE2 3.46Å; K321-Y323 VanDerWaalsContact CD-CE2 3.46Å; K321-Y323 HydrophobicContact CG-CE2 4.35Å; K321-Y323 PolarHBondContact NZ-OH 2.04Å; K321-Y323 PolarHBondContact O-N 2.81Å; Y323-Y325 PolarHBondContact O-N 3.48Å
324	S	34.1	Very low	47.7	Very low	108 Å²	108	114.7 Å²	114.7	76%	0.755	59%	0.587	S	S	*	*			trans	-71.5	72.1	171.9	59.1	0	0	0	0	109.2	R322 K326	R322-S324 VanDerWaalsContact C-N 3.27Å; R322-S324 PolarHBondContact O-N 3.48Å; S324-K326 VanDerWaalsContact C-N 3.29Å; S324-K326 PolarHBondContact O-N 2.87Å
325	Y	44.1	Very low	50.4	Low	189 Å²	189	107 Å²	107	74%	0.741	55%	0.547	S	S	*	.			trans	-60.9	98.7	163.9	-87.4	-84.2	0	0	0	107	Y323 L327	Y323-Y325 PolarHBondContact O-N 3.48Å; Y325-L327 PolarHBondContact O-N 3.47Å
326	K	47.3	Very low	52.5	Low	190 Å²	190	102.7 Å²	102.7	83%	0.826	51%	0.511	S	S	*	.			trans	-60.9	124.1	163.7	-66.9	-175.2	177.6	-176	0	105.9	S324	S324-K326 VanDerWaalsContact C-N 3.29Å; S324-K326 PolarHBondContact O-N 2.87Å
327	L	58.3	Low	55.5	Low	39 Å²	39	93.3 Å²	93.3	20%	0.204	47%	0.468	C	S	.	.			trans	-61	138.6	165.9	-75.9	168.7	0	0	0	107.8	Y325 Y331 E536 L539 R540	Y325-L327 PolarHBondContact O-N 3.47Å; L327-Y331 WeakPolarHBondContact CD2-OH 3.28Å; L327-E536 HydrophobicContact CD1-CB 4.39Å; L327-E536 HydrophobicContact CD1-CG 4.19Å; L327-L539 HydrophobicContact CD2-CB 4Å; L327-R540 HydrophobicContact CD1-CG 4.13Å; L327-R540 HydrophobicContact CD2-CG 3.77Å; L327-R540 HydrophobicContact CG-CG 4.11Å
328	P	57.1	Low	58	Low	64 Å²	64	87.4 Å²	87.4	42%	0.416	43%	0.426	S	S	.	.			trans	-42.9	141.9	155.8	-32.5	37.1	0	0	0	111.1	E330 Y331 L548	P328-E330 VanDerWaalsContact C-N 3.26Å; P328-E330 PolarHBondContact O-N 2.98Å; P328-Y331 HydrophobicContact CB-CE2 4.4Å; P328-Y331 VanDerWaalsContact CD-OH 3.3Å; P328-Y331 WeakPolarHBondContact CD-OH 3.47Å; P328-Y331 WeakPolarHBondContact O-CE2 3.37Å; P328-Y331 PolarHBondContact O-OH 3.47Å; P328-L548 HydrophobicContact CB-CD2 4.14Å; P328-L548 HydrophobicContact CG-CD2 3.83Å
329	Q	53.3	Low	60.8	Low	171 Å²	171	84 Å²	84	80%	0.799	39%	0.392	S	S	*	.	S	Bend	trans	-77	-17.6	-176.7	-66.8	-178.1	-95.6	0	0	112.8	Q375	Q329-Q375 PolarHBondContact O-N 2.93Å
330	E	61.3	Low	63	Low	87 Å²	87	72.4 Å²	72.4	41%	0.407	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	139.7	-172.5	-57.9	-177.7	-141.7	0	0	110.2	R191 P328 Q375	R191-E330 WeakPolarHBondContact CD-OE2 3.37Å; R191-E330 IonicContact CZ-OE2 3.54Å; R191-E330 IonicContact NE-OE2 2.66Å; R191-E330 IonicContact NH1-OE1 2.66Å; R191-E330 IonicContact NH1-OE2 3.77Å; R191-E330 PolarHBondContact NH1-OE2 2.91Å; P328-E330 VanDerWaalsContact C-N 3.26Å; P328-E330 PolarHBondContact O-N 2.98Å; E330-Q375 WeakPolarHBondContact CA-O 3.33Å; E330-Q375 HydrophobicContact CG-CB 4.43Å
331	Y	75.1	Confident	65.8	Low	2 Å²	2	70 Å²	70	1%	0.008	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	156.5	172.8	-63.4	-95.3	0	0	0	108.6	L327 P328 V374 Q375 N377 L539 L547 L548	L327-Y331 WeakPolarHBondContact CD2-OH 3.28Å; P328-Y331 HydrophobicContact CB-CE2 4.4Å; P328-Y331 VanDerWaalsContact CD-OH 3.3Å; P328-Y331 WeakPolarHBondContact CD-OH 3.47Å; P328-Y331 WeakPolarHBondContact O-CE2 3.37Å; P328-Y331 PolarHBondContact O-OH 3.47Å; Y331-V374 HydrophobicContact CD2-CG1 3.64Å; Y331-V374 HydrophobicContact CE2-CG1 3.6Å; Y331-Q375 PolarHBondContact N-O 3.4Å; Y331-N377 WeakPolarHBondContact O-CB 3.37Å; Y331-N377 PolarHBondContact O-N 2.92Å; Y331-N377 PolarHBondContact O-ND2 2.04Å; Y331-L539 HydrophobicContact CD1-CD2 3.81Å; Y331-L539 HydrophobicContact CD2-CD1 3.96Å; Y331-L539 HydrophobicContact CD2-CD2 4.38Å; Y331-L539 HydrophobicContact CE1-CB 4.37Å; Y331-L539 HydrophobicContact CE1-CD2 3.86Å; Y331-L539 HydrophobicContact CE1-CG 4.48Å; Y331-L539 HydrophobicContact CE2-CD1 3.77Å; Y331-L539 HydrophobicContact CE2-CD2 4.47Å; Y331-L539 HydrophobicContact CG-CD1 4.48Å; Y331-L539 HydrophobicContact CG-CD2 4.09Å; Y331-L547 HydrophobicContact CD1-CB 3.99Å; Y331-L548 HydrophobicContact CD1-CD2 3.8Å; Y331-L548 HydrophobicContact CE1-CD2 3.53Å; Y331-L548 HydrophobicContact CE1-CG 4.3Å
332	N	74.1	Confident	68	Low	21 Å²	21	63.9 Å²	63.9	11%	0.112	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	141.2	176.3	-57.7	-92	0	0	0	109	N377 R379 L547 T550	N332-N377 CarbonylContact C-O 3.59Å; N332-N377 WeakPolarHBondContact CA-O 3.37Å; N332-N377 WeakPolarHBondContact OD1-CB 3.43Å; N332-N377 PolarHBondContact OD1-ND2 1.89Å; N332-R379 VanDerWaalsContact OD1-CZ 3.3Å; N332-R379 PolarHBondContact OD1-NE 2.64Å; N332-R379 PolarHBondContact OD1-NH2 2.87Å; N332-L547 PolarHBondContact N-O 2.98Å; N332-L547 VanDerWaalsContact O-CA 3.29Å; N332-L547 WeakPolarHBondContact O-CA 3.47Å; N332-L547 WeakPolarHBondContact O-CB 3.21Å; N332-L547 VanDerWaalsContact O-CD2 3.3Å; N332-L547 WeakPolarHBondContact O-CD2 3.25Å; N332-T550 HydrophobicContact CB-CG2 3.4Å
333	I	81.6	Confident	70.3	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	107.9	175.7	-59.1	166.9	0	0	0	107.9	T335 V376 N377 L378 R379 D436 A437 M465 M490 M494 L547	I333-T335 PolarHBondContact O-N 2.89Å; I333-V376 HydrophobicContact CD1-CG1 3.45Å; I333-V376 VanDerWaalsContact CD1-CG1 3.45Å; I333-V376 HydrophobicContact CG1-CG1 4.04Å; I333-N377 PolarHBondContact N-O 3.23Å; I333-L378 HydrophobicContact CB-CD1 4.22Å; I333-L378 HydrophobicContact CG2-CD1 4.17Å; I333-R379 WeakPolarHBondContact O-CA 3.36Å; I333-R379 PolarHBondContact O-N 2.8Å; I333-D436 HydrophobicContact CG2-CB 4.16Å; I333-A437 HydrophobicContact CG2-CB 4.49Å; I333-M465 HydrophobicContact CD1-CE 3.96Å; I333-M465 HydrophobicContact CG1-CE 4.35Å; I333-M465 HydrophobicContact CG1-SD 4.43Å; I333-M465 HydrophobicContact CG2-CE 3.97Å; I333-M465 HydrophobicContact CG2-SD 3.91Å; I333-M490 HydrophobicContact CD1-CG 4.44Å; I333-M490 HydrophobicContact CD1-SD 3.82Å; I333-M490 HydrophobicContact CG2-CE 4.41Å; I333-M494 HydrophobicContact CD1-CE 4.45Å; I333-M494 HydrophobicContact CD1-SD 3.81Å; I333-L547 HydrophobicContact CB-CD2 4.37Å; I333-L547 HydrophobicContact CG1-CD2 3.77Å
334	E	80.3	Confident	72.4	Confident	9 Å²	9	45 Å²	45	4%	0.042	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	104.9	172	-64.2	-169.2	179.8	0	0	110.1	R379 I381 D436 T550 N551 S554	E334-R379 WeakPolarHBondContact CA-O 3.45Å; E334-I381 HydrophobicContact CB-CD1 4.34Å; E334-I381 HydrophobicContact CB-CG2 4.08Å; E334-I381 HydrophobicContact CG-CG2 4.35Å; E334-D436 PolarHBondContact N-OD2 3.39Å; E334-D436 PolarHBondContact O-N 2.8Å; E334-T550 HydrophobicContact CG-CG2 4.43Å; E334-T550 WeakPolarHBondContact OE1-CA 3.42Å; E334-N551 PolarHBondContact OE1-N 2.82Å; E334-S554 VanDerWaalsContact OE1-CB 3.26Å; E334-S554 WeakPolarHBondContact OE1-CB 3.34Å; E334-S554 PolarHBondContact OE1-OG 2.85Å
335	T	82.1	Confident	74.3	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	141.6	-172.3	-164.3	0	0	0	0	115.8	I333 V337 L378 R379 V380 I381 A437	I333-T335 PolarHBondContact O-N 2.89Å; T335-V337 HydrophobicContact CG2-CG2 4.48Å; T335-L378 HydrophobicContact CG2-CD1 3.61Å; T335-L378 HydrophobicContact CG2-CG 4.33Å; T335-R379 PolarHBondContact N-O 3.4Å; T335-V380 HydrophobicContact CG2-CG2 4.28Å; T335-I381 WeakPolarHBondContact O-CG1 3.44Å; T335-I381 PolarHBondContact O-N 2.87Å; T335-A437 VanDerWaalsContact CA-O 3.22Å; T335-A437 WeakPolarHBondContact CA-O 3.41Å; T335-A437 WeakPolarHBondContact CB-O 3.02Å; T335-A437 PolarHBondContact OG1-O 3.15Å
336	V	83.6	Confident	75.6	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	137.3	168.5	172.9	0	0	0	0	109.6	V338 I381 K382 I384 F414 V435 A437 A438 I439	V336-V338 HydrophobicContact CG1-CG2 4.29Å; V336-I381 HydrophobicContact CG2-CD1 3.84Å; V336-I381 HydrophobicContact CG2-CG1 3.88Å; V336-K382 WeakPolarHBondContact CA-O 3.15Å; V336-K382 HydrophobicContact CG1-CB 4.41Å; V336-K382 HydrophobicContact CG2-CB 4.03Å; V336-I384 HydrophobicContact CG1-CD1 3.97Å; V336-I384 HydrophobicContact CG1-CG1 4.47Å; V336-F414 HydrophobicContact CG1-CE2 4.5Å; V336-F414 HydrophobicContact CG1-CZ 4.28Å; V336-F414 HydrophobicContact CG2-CE1 4.41Å; V336-V435 HydrophobicContact CG2-CB 4.42Å; V336-V435 HydrophobicContact CG2-CG1 3.68Å; V336-A437 PolarHBondContact N-O 2.82Å; V336-A438 CarbonylContact O-C 3.57Å; V336-A438 VanDerWaalsContact O-CA 3.26Å; V336-A438 WeakPolarHBondContact O-CA 3.2Å; V336-I439 PolarHBondContact O-N 2.95Å
337	V	88.8	Confident	76.2	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	137.6	175.8	-174.2	0	0	0	0	109.7	T335 I356 L360 V380 K382 L383 I384 I439 I441	T335-V337 HydrophobicContact CG2-CG2 4.48Å; V337-I356 HydrophobicContact CG1-CG2 3.88Å; V337-L360 HydrophobicContact CB-CD1 4.28Å; V337-L360 HydrophobicContact CG1-CD1 4.32Å; V337-L360 HydrophobicContact CG2-CD1 3.71Å; V337-L360 HydrophobicContact CG2-CD2 3.98Å; V337-V380 HydrophobicContact CG2-CG1 4.27Å; V337-K382 PolarHBondContact N-O 3.09Å; V337-L383 HydrophobicContact CB-CD1 3.99Å; V337-L383 HydrophobicContact CG1-CD1 4.01Å; V337-L383 CarbonylContact O-C 3.59Å; V337-L383 VanDerWaalsContact O-CA 3.3Å; V337-L383 WeakPolarHBondContact O-CA 3.29Å; V337-I384 PolarHBondContact O-N 3.46Å; V337-I439 CarbonylContact C-O 3.41Å; V337-I439 WeakPolarHBondContact CA-O 3.48Å; V337-I439 HydrophobicContact CG1-CB 4.39Å; V337-I439 HydrophobicContact CG2-CB 4.26Å; V337-I439 HydrophobicContact CG2-CD1 4.07Å; V337-I441 HydrophobicContact CG1-CD1 3.58Å; V337-I441 HydrophobicContact CG1-CG1 4.09Å
338	V	90.1	Very high	76.1	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	124.3	-177.9	-173.6	0	0	0	0	108.1	V336 I384 L386 F406 W409 I439 L440 I441	V336-V338 HydrophobicContact CG1-CG2 4.29Å; V338-I384 CarbonylContact C-O 3.38Å; V338-I384 WeakPolarHBondContact CA-O 3.35Å; V338-I384 HydrophobicContact CG1-CB 4.47Å; V338-I384 HydrophobicContact CG2-CB 4.38Å; V338-I384 HydrophobicContact CG2-CD1 4.45Å; V338-L386 HydrophobicContact CG1-CD1 3.61Å; V338-L386 HydrophobicContact CG1-CG 3.88Å; V338-F406 HydrophobicContact CB-CE2 4.36Å; V338-F406 HydrophobicContact CG2-CE2 4.06Å; V338-F406 HydrophobicContact CG2-CZ 4.2Å; V338-W409 HydrophobicContact CG2-CH2 4.32Å; V338-W409 HydrophobicContact CG2-CZ3 4.01Å; V338-I439 PolarHBondContact N-O 3Å; V338-L440 HydrophobicContact CB-CD1 4.03Å; V338-L440 HydrophobicContact CG1-CD1 3.92Å; V338-I441 PolarHBondContact O-N 2.87Å
339	A	89.1	Confident	75.9	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	129	167.8	0	0	0	0	0	108.5	M343 V344 I356 I384 L385 L386	A339-M343 HydrophobicContact CB-CB 4Å; A339-V344 HydrophobicContact CB-CG2 4.03Å; A339-I356 HydrophobicContact CB-CD1 3.61Å; A339-I384 PolarHBondContact N-O 3.27Å; A339-L385 HydrophobicContact CB-CD2 3.58Å; A339-L386 WeakPolarHBondContact O-CB 3.13Å; A339-L386 PolarHBondContact O-N 2.93Å
340	D	88.6	Confident	75.5	Confident	4 Å²	4	24.7 Å²	24.7	2%	0.021	15%	0.148	C	C	.	.			trans	-77.6	172.3	178.9	88	-30.6	0	0	0	113.1	A342 M343 V344 I395 L440 I441 T442	D340-A342 PolarHBondContact O-N 2.94Å; D340-A342 WeakPolarHBondContact OD1-CB 3.5Å; D340-A342 PolarHBondContact OD1-N 2.85Å; D340-A342 WeakPolarHBondContact OD2-CB 3.45Å; D340-M343 WeakPolarHBondContact O-CB 3.4Å; D340-M343 PolarHBondContact O-N 2.93Å; D340-M343 WeakPolarHBondContact OD1-CB 3.45Å; D340-M343 WeakPolarHBondContact OD1-CG 3.35Å; D340-M343 PolarHBondContact OD1-N 2.82Å; D340-V344 WeakPolarHBondContact O-CG2 3.43Å; D340-V344 PolarHBondContact O-N 2.73Å; D340-I395 HydrophobicContact CB-CD1 3.66Å; D340-L440 HydrophobicContact CB-CD1 4.23Å; D340-I441 PolarHBondContact N-O 3.48Å; D340-I441 VanDerWaalsContact N-O 3.1Å; D340-T442 VanDerWaalsContact CG-OG1 3.26Å; D340-T442 WeakPolarHBondContact OD1-CA 3.35Å; D340-T442 WeakPolarHBondContact OD2-CB 3.19Å; D340-T442 PolarHBondContact OD2-OG1 3.41Å
341	P	87.3	Confident	75	Confident	19 Å²	19	21.9 Å²	21.9	12%	0.123	14%	0.14	C	C	.	.	H	α-helix	trans	-61.5	-27.9	177.6	-26	37.5	0	0	0	113.8	S345 L386	P341-S345 WeakPolarHBondContact O-CB 3.43Å; P341-S345 PolarHBondContact O-N 3.13Å; P341-S345 PolarHBondContact O-OG 3.23Å; P341-L386 WeakPolarHBondContact CA-O 3.43Å; P341-L386 HydrophobicContact CG-CB 4.18Å
342	A	83	Confident	74.2	Confident	31 Å²	31	21.8 Å²	21.8	26%	0.256	14%	0.139	S	C	.	.	H	α-helix	trans	-66.9	-45.9	174.6	0	0	0	0	0	110.6	D340 S345 Y346 R443	D340-A342 PolarHBondContact O-N 2.94Å; D340-A342 WeakPolarHBondContact OD1-CB 3.5Å; D340-A342 PolarHBondContact OD1-N 2.85Å; D340-A342 WeakPolarHBondContact OD2-CB 3.45Å; A342-S345 PolarHBondContact O-OG 3.34Å; A342-Y346 WeakPolarHBondContact O-CB 3.27Å; A342-Y346 PolarHBondContact O-N 3.07Å; A342-R443 HydrophobicContact CB-CB 3.64Å
343	M	81.8	Confident	73.6	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.5	-47.8	172.8	-79.1	-63.2	-68.2	0	0	112.5	A339 D340 H347 F355 I356 I441 R443 D477	A339-M343 HydrophobicContact CB-CB 4Å; D340-M343 WeakPolarHBondContact O-CB 3.4Å; D340-M343 PolarHBondContact O-N 2.93Å; D340-M343 WeakPolarHBondContact OD1-CB 3.45Å; D340-M343 WeakPolarHBondContact OD1-CG 3.35Å; D340-M343 PolarHBondContact OD1-N 2.82Å; M343-H347 PolarHBondContact O-CD2 2.92Å; M343-H347 PolarHBondContact O-N 2.94Å; M343-H347 VanDerWaalsContact O-N 3.07Å; M343-F355 HydrophobicContact CE-CD1 3.96Å; M343-F355 HydrophobicContact CE-CE1 3.97Å; M343-I356 HydrophobicContact CE-CD1 4.07Å; M343-I356 HydrophobicContact CE-CG1 4.16Å; M343-I441 HydrophobicContact CE-CG2 3.8Å; M343-I441 HydrophobicContact CG-CG2 4.01Å; M343-I441 WeakPolarHBondContact CG-O 3.48Å; M343-I441 HydrophobicContact SD-CG2 3.89Å; M343-R443 HydrophobicContact SD-CB 4.33Å; M343-R443 HydrophobicContact SD-CG 3.85Å; M343-D477 HydrophobicContact CE-CB 4.16Å; M343-D477 HydrophobicContact SD-CB 3.33Å; M343-D477 WeakPolarHBondContact SD-CB 3.44Å; M343-D477 VanDerWaalsContact SD-OD2 3.41Å
344	V	79	Confident	72.1	Confident	7 Å²	7	30.3 Å²	30.3	4%	0.042	17%	0.17	C	C	.	.	H	α-helix	trans	-72.8	-38.6	-174	176.2	0	0	0	0	111.9	A339 D340 G348 A349 L385 L386	A339-V344 HydrophobicContact CB-CG2 4.03Å; D340-V344 WeakPolarHBondContact O-CG2 3.43Å; D340-V344 PolarHBondContact O-N 2.73Å; V344-G348 WeakPolarHBondContact O-CA 3.44Å; V344-G348 PolarHBondContact O-N 2.68Å; V344-A349 HydrophobicContact CG1-CB 4.25Å; V344-L385 HydrophobicContact CG2-CB 3.85Å; V344-L385 HydrophobicContact CG2-CD2 4.34Å; V344-L386 WeakPolarHBondContact CG2-O 3.47Å
345	S	74.1	Confident	71.3	Confident	99 Å²	99	30.2 Å²	30.2	69%	0.692	17%	0.169	S	C	*	.	H	α-helix	trans	-74.8	-31.7	175.7	61.3	0	0	0	0	113.3	P341 A342	P341-S345 WeakPolarHBondContact O-CB 3.43Å; P341-S345 PolarHBondContact O-N 3.13Å; P341-S345 PolarHBondContact O-OG 3.23Å; A342-S345 PolarHBondContact O-OG 3.34Å
346	Y	71.6	Confident	70.8	Confident	61 Å²	61	30.2 Å²	30.2	24%	0.239	17%	0.169	C	C	.	.	H	α-helix	trans	-74.6	-52.8	179.7	-179.4	-80.7	0	0	0	112.5	A342 R443 Q576 I577 L578 F579 G580	A342-Y346 WeakPolarHBondContact O-CB 3.27Å; A342-Y346 PolarHBondContact O-N 3.07Å; Y346-R443 HydrophobicContact CG-CG 4.35Å; Y346-R443 PolarHBondContact OH-NH2 3.32Å; Y346-R443 VanDerWaalsContact OH-NH2 3.13Å; Y346-Q576 PolarHBondContact OH-O 3.15Å; Y346-I577 VanDerWaalsContact CE1-O 3.3Å; Y346-I577 WeakPolarHBondContact CE1-O 3.49Å; Y346-I577 VanDerWaalsContact OH-C 3.31Å; Y346-I577 PolarHBondContact OH-O 3.12Å; Y346-I577 VanDerWaalsContact OH-O 3.13Å; Y346-L578 PolarHBondContact OH-N 3.25Å; Y346-L578 PolarHBondContact OH-O 3.27Å; Y346-F579 PolarHBondContact OH-N 2.77Å; Y346-G580 PolarHBondContact OH-N 2.82Å
347	H	60.1	Low	69.9	Low	26 Å²	26	31.5 Å²	31.5	12%	0.12	18%	0.176	C	C	.	.	H	α-helix	trans	-87.9	-26	-177.5	-64.8	-75	0	0	0	113	M343 A351 A352 D477	M343-H347 PolarHBondContact O-CD2 2.92Å; M343-H347 PolarHBondContact O-N 2.94Å; M343-H347 VanDerWaalsContact O-N 3.07Å; H347-A351 WeakPolarHBondContact O-CB 3.24Å; H347-A352 HydrophobicContact CB-CB 4.04Å; H347-D477 IonicContact CD2-OD2 3.36Å; H347-D477 IonicContact CE1-OD2 3.72Å; H347-D477 IonicContact NE2-OD2 3.4Å; H347-D477 PolarHBondContact NE2-OD2 3.01Å
348	G	56.7	Low	68.3	Low	33 Å²	33	33.2 Å²	33.2	34%	0.34	19%	0.186	S	C	.	.			trans	80.5	138.4	-165.5	0	0	0	0	0	112.2	V344 D350 A351 A352	V344-G348 WeakPolarHBondContact O-CA 3.44Å; V344-G348 PolarHBondContact O-N 2.68Å; G348-D350 PolarHBondContact O-N 3.29Å; G348-D350 VanDerWaalsContact O-N 3.16Å; G348-A351 PolarHBondContact O-N 3.11Å; G348-A352 WeakPolarHBondContact O-CB 3.48Å; G348-A352 PolarHBondContact O-N 2.59Å
349	A	52.9	Low	67.5	Low	19 Å²	19	33.1 Å²	33.1	16%	0.157	19%	0.186	C	C	.	.	H	α-helix	trans	-51.3	-45.3	-166.3	0	0	0	0	0	115.4	V344 R353 L385	V344-A349 HydrophobicContact CG1-CB 4.25Å; A349-R353 VanDerWaalsContact O-CB 3.3Å; A349-R353 WeakPolarHBondContact O-CB 3.44Å; A349-R353 PolarHBondContact O-N 2.85Å; A349-L385 HydrophobicContact CB-CD1 3.97Å; A349-L385 WeakPolarHBondContact O-CD1 3.23Å
350	D	45.5	Very low	66.6	Low	97 Å²	97	33.2 Å²	33.2	52%	0.519	19%	0.186	S	C	.	.	H	α-helix	trans	-75.5	-21.4	-178.8	-87.4	-35.3	0	0	0	114.3	G348 R354	G348-D350 PolarHBondContact O-N 3.29Å; G348-D350 VanDerWaalsContact O-N 3.16Å; D350-R354 PolarHBondContact O-NE 3.05Å; D350-R354 PolarHBondContact O-NH2 3.46Å
351	A	48.9	Very low	65.4	Low	29 Å²	29	35.3 Å²	35.3	24%	0.24	20%	0.197	C	C	.	.	H	α-helix	trans	-86.6	-44.5	173.1	0	0	0	0	0	110.3	H347 G348 R353 R354 F355	H347-A351 WeakPolarHBondContact O-CB 3.24Å; G348-A351 PolarHBondContact O-N 3.11Å; A351-R353 VanDerWaalsContact C-N 3.26Å; A351-R353 PolarHBondContact O-N 3.07Å; A351-R354 PolarHBondContact O-N 2.79Å; A351-F355 WeakPolarHBondContact O-CB 3.44Å; A351-F355 PolarHBondContact O-N 3.04Å
352	A	58.8	Low	64.4	Low	0 Å²	0	36 Å²	36	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-49.9	-47.2	169.9	0	0	0	0	0	111.3	H347 G348 R354 F355 I356	H347-A352 HydrophobicContact CB-CB 4.04Å; G348-A352 WeakPolarHBondContact O-CB 3.48Å; G348-A352 PolarHBondContact O-N 2.59Å; A352-R354 PolarHBondContact O-N 3.24Å; A352-F355 PolarHBondContact O-N 2.72Å; A352-I356 VanDerWaalsContact O-CB 3.31Å; A352-I356 WeakPolarHBondContact O-CB 3.37Å; A352-I356 WeakPolarHBondContact O-CD1 3.4Å; A352-I356 WeakPolarHBondContact O-CG1 3.33Å; A352-I356 PolarHBondContact O-N 2.95Å
353	R	61.3	Low	63.9	Low	65 Å²	65	34.5 Å²	34.5	25%	0.245	19%	0.187	C	C	.	.	H	α-helix	trans	-53.7	-47.3	174	177.5	-175.1	177.6	168.9	6.7	113.1	V199 A349 A351 L357 L383 L385	V199-R353 HydrophobicContact CG1-CG 4.41Å; V199-R353 HydrophobicContact CG2-CG 4.34Å; A349-R353 VanDerWaalsContact O-CB 3.3Å; A349-R353 WeakPolarHBondContact O-CB 3.44Å; A349-R353 PolarHBondContact O-N 2.85Å; A351-R353 VanDerWaalsContact C-N 3.26Å; A351-R353 PolarHBondContact O-N 3.07Å; R353-L357 HydrophobicContact CG-CD1 4.28Å; R353-L357 WeakPolarHBondContact O-CB 3.42Å; R353-L357 WeakPolarHBondContact O-CG 3.02Å; R353-L357 PolarHBondContact O-N 3.28Å; R353-L383 HydrophobicContact CB-CD2 4.4Å; R353-L383 HydrophobicContact CG-CD2 4.13Å; R353-L385 HydrophobicContact CB-CD1 4.46Å
354	R	51.4	Low	63.6	Low	134 Å²	134	35.7 Å²	35.7	51%	0.506	19%	0.192	S	C	.	.	H	α-helix	trans	-72.2	-47	-177.2	-80.1	175.7	-86.1	161.2	-8.2	111.2	D350 A351 A352 L357 T358 Y569	D350-R354 PolarHBondContact O-NE 3.05Å; D350-R354 PolarHBondContact O-NH2 3.46Å; A351-R354 PolarHBondContact O-N 2.79Å; A352-R354 PolarHBondContact O-N 3.24Å; R354-L357 PolarHBondContact O-N 3.4Å; R354-T358 PolarHBondContact O-N 2.9Å; R354-T358 PolarHBondContact O-OG1 2.81Å; R354-Y569 WeakPolarHBondContact CB-OH 3.05Å
355	F	62.5	Low	62.7	Low	8 Å²	8	39.6 Å²	39.6	4%	0.035	21%	0.213	C	C	.	.	H	α-helix	trans	-53.6	-55.4	175.2	175.1	-110.1	0	0	0	111.3	M343 A351 A352 L357 T358 I359 D477 G479 L482	M343-F355 HydrophobicContact CE-CD1 3.96Å; M343-F355 HydrophobicContact CE-CE1 3.97Å; A351-F355 WeakPolarHBondContact O-CB 3.44Å; A351-F355 PolarHBondContact O-N 3.04Å; A352-F355 PolarHBondContact O-N 2.72Å; F355-L357 VanDerWaalsContact C-N 3.3Å; F355-L357 PolarHBondContact O-N 2.85Å; F355-T358 WeakPolarHBondContact O-CB 3.4Å; F355-T358 PolarHBondContact O-N 3.12Å; F355-I359 HydrophobicContact CD2-CG1 4.42Å; F355-I359 HydrophobicContact CE1-CG1 4.31Å; F355-I359 HydrophobicContact CE2-CD1 4.12Å; F355-I359 HydrophobicContact CE2-CG1 4.15Å; F355-I359 HydrophobicContact CZ-CD1 4.18Å; F355-I359 HydrophobicContact CZ-CG1 4.09Å; F355-I359 WeakPolarHBondContact O-CG1 3.4Å; F355-I359 PolarHBondContact O-N 2.95Å; F355-D477 WeakPolarHBondContact CE1-OD1 3.01Å; F355-D477 VanDerWaalsContact CZ-OD1 3.31Å; F355-D477 WeakPolarHBondContact CZ-OD1 3.42Å; F355-G479 WeakPolarHBondContact CZ-O 3.1Å; F355-L482 HydrophobicContact CE1-CD2 4.01Å; F355-L482 HydrophobicContact CZ-CD2 4.38Å
356	I	72.3	Confident	62.6	Low	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59.5	-38.5	-179.6	-68.2	168.6	0	0	0	111.8	V337 A339 M343 A352 I359 L360 L383 I441	V337-I356 HydrophobicContact CG1-CG2 3.88Å; A339-I356 HydrophobicContact CB-CD1 3.61Å; M343-I356 HydrophobicContact CE-CD1 4.07Å; M343-I356 HydrophobicContact CE-CG1 4.16Å; A352-I356 VanDerWaalsContact O-CB 3.31Å; A352-I356 WeakPolarHBondContact O-CB 3.37Å; A352-I356 WeakPolarHBondContact O-CD1 3.4Å; A352-I356 WeakPolarHBondContact O-CG1 3.33Å; A352-I356 PolarHBondContact O-N 2.95Å; I356-I359 PolarHBondContact O-N 2.84Å; I356-L360 HydrophobicContact CG2-CD1 3.62Å; I356-L360 HydrophobicContact CG2-CG 4.32Å; I356-L360 WeakPolarHBondContact O-CB 3.36Å; I356-L360 WeakPolarHBondContact O-CD1 3.09Å; I356-L360 WeakPolarHBondContact O-CG 3.43Å; I356-L360 PolarHBondContact O-N 2.81Å; I356-L383 HydrophobicContact CD1-CD1 4.33Å; I356-L383 HydrophobicContact CG2-CD1 3.88Å; I356-I441 HydrophobicContact CB-CD1 4.38Å; I356-I441 HydrophobicContact CD1-CD1 4.17Å; I356-I441 HydrophobicContact CG1-CD1 3.87Å; I356-I441 HydrophobicContact CG2-CD1 3.74Å
357	L	63.1	Low	62.8	Low	29 Å²	29	33 Å²	33	15%	0.152	17%	0.174	C	C	.	.	H	α-helix	trans	-70.3	-33.9	175.9	-74.3	171.3	0	0	0	113.6	F197 R353 R354 F355 N361	F197-L357 HydrophobicContact CE1-CD1 3.93Å; F197-L357 HydrophobicContact CE1-CD2 4.12Å; F197-L357 HydrophobicContact CE2-CD2 4.16Å; F197-L357 HydrophobicContact CZ-CD1 3.98Å; F197-L357 HydrophobicContact CZ-CD2 3.67Å; F197-L357 HydrophobicContact CZ-CG 4.28Å; R353-L357 HydrophobicContact CG-CD1 4.28Å; R353-L357 WeakPolarHBondContact O-CB 3.42Å; R353-L357 WeakPolarHBondContact O-CG 3.02Å; R353-L357 PolarHBondContact O-N 3.28Å; R354-L357 PolarHBondContact O-N 3.4Å; F355-L357 VanDerWaalsContact C-N 3.3Å; F355-L357 PolarHBondContact O-N 2.85Å; L357-N361 WeakPolarHBondContact O-CB 3.39Å; L357-N361 PolarHBondContact O-N 2.63Å; L357-N361 VanDerWaalsContact O-N 3.14Å
358	T	56.8	Low	63.2	Low	35 Å²	35	34.4 Å²	34.4	22%	0.215	18%	0.18	C	C	.	.	H	α-helix	trans	-63.3	-45.5	170.5	-62.6	0	0	0	0	110.9	R354 F355 N361 M362	R354-T358 PolarHBondContact O-N 2.9Å; R354-T358 PolarHBondContact O-OG1 2.81Å; F355-T358 WeakPolarHBondContact O-CB 3.4Å; F355-T358 PolarHBondContact O-N 3.12Å; T358-N361 WeakPolarHBondContact O-CB 3.2Å; T358-N361 PolarHBondContact O-N 2.87Å; T358-M362 HydrophobicContact CG2-SD 4.29Å; T358-M362 WeakPolarHBondContact O-CG 3.5Å; T358-M362 PolarHBondContact O-N 2.87Å; T358-M362 VanDerWaalsContact O-N 3.14Å
359	I	71.9	Confident	63.6	Low	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.6	-49.4	176.5	-65.9	-64.5	0	0	0	111.4	F355 I356 N361 M362 V363 L480 L482 A483 I486	F355-I359 HydrophobicContact CD2-CG1 4.42Å; F355-I359 HydrophobicContact CE1-CG1 4.31Å; F355-I359 HydrophobicContact CE2-CD1 4.12Å; F355-I359 HydrophobicContact CE2-CG1 4.15Å; F355-I359 HydrophobicContact CZ-CD1 4.18Å; F355-I359 HydrophobicContact CZ-CG1 4.09Å; F355-I359 WeakPolarHBondContact O-CG1 3.4Å; F355-I359 PolarHBondContact O-N 2.95Å; I356-I359 PolarHBondContact O-N 2.84Å; I359-N361 VanDerWaalsContact C-N 3.27Å; I359-N361 PolarHBondContact O-N 2.86Å; I359-M362 HydrophobicContact CD1-SD 4.32Å; I359-M362 WeakPolarHBondContact O-CA 3.45Å; I359-M362 WeakPolarHBondContact O-CB 3.41Å; I359-M362 PolarHBondContact O-N 2.74Å; I359-V363 HydrophobicContact CG2-CG2 4.47Å; I359-V363 WeakPolarHBondContact O-CG2 3.18Å; I359-V363 PolarHBondContact O-N 3.11Å; I359-L480 HydrophobicContact CD1-CD2 3.92Å; I359-L480 WeakPolarHBondContact CD1-O 3.5Å; I359-L482 HydrophobicContact CD1-CB 4.14Å; I359-L482 HydrophobicContact CG1-CD2 4.25Å; I359-L482 HydrophobicContact CG2-CB 4.25Å; I359-L482 HydrophobicContact CG2-CD2 4.09Å; I359-L482 HydrophobicContact CG2-CG 3.88Å; I359-A483 HydrophobicContact CG2-CB 4.21Å; I359-I486 HydrophobicContact CG2-CD1 3.9Å
360	L	71.4	Confident	64.2	Low	1 Å²	1	39.6 Å²	39.6	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-66.2	-28.3	-178.5	-67.2	162.4	0	0	0	112.9	V337 I356 V363 F364 V380 I439	V337-L360 HydrophobicContact CB-CD1 4.28Å; V337-L360 HydrophobicContact CG1-CD1 4.32Å; V337-L360 HydrophobicContact CG2-CD1 3.71Å; V337-L360 HydrophobicContact CG2-CD2 3.98Å; I356-L360 HydrophobicContact CG2-CD1 3.62Å; I356-L360 HydrophobicContact CG2-CG 4.32Å; I356-L360 WeakPolarHBondContact O-CB 3.36Å; I356-L360 WeakPolarHBondContact O-CD1 3.09Å; I356-L360 WeakPolarHBondContact O-CG 3.43Å; I356-L360 PolarHBondContact O-N 2.81Å; L360-V363 PolarHBondContact O-N 3.41Å; L360-F364 PolarHBondContact O-N 2.88Å; L360-V380 HydrophobicContact CB-CG2 4.16Å; L360-V380 HydrophobicContact CD1-CG1 4.3Å; L360-V380 HydrophobicContact CD1-CG2 3.92Å; L360-V380 HydrophobicContact CG-CG2 4.43Å; L360-I439 HydrophobicContact CD2-CD1 4.19Å
361	N	64	Low	65.6	Low	48 Å²	48	36.8 Å²	36.8	26%	0.257	18%	0.179	S	C	.	.	H	α-helix	trans	-66.6	-39.7	168.5	178.2	54.4	0	0	0	112	F192 L357 T358 I359 F364 N365 V560	F192-N361 HydrophobicContact CE1-CB 4.19Å; F192-N361 VanDerWaalsContact CE1-OD1 3.26Å; F192-N361 WeakPolarHBondContact CE1-OD1 3.34Å; F192-N361 HydrophobicContact CZ-CB 3.82Å; L357-N361 WeakPolarHBondContact O-CB 3.39Å; L357-N361 PolarHBondContact O-N 2.63Å; L357-N361 VanDerWaalsContact O-N 3.14Å; T358-N361 WeakPolarHBondContact O-CB 3.2Å; T358-N361 PolarHBondContact O-N 2.87Å; I359-N361 VanDerWaalsContact C-N 3.27Å; I359-N361 PolarHBondContact O-N 2.86Å; N361-F364 PolarHBondContact O-N 2.92Å; N361-N365 PolarHBondContact O-N 2.76Å; N361-N365 PolarHBondContact O-ND2 3.22Å; N361-N365 PolarHBondContact OD1-ND2 3.37Å; N361-V560 HydrophobicContact CB-CG1 4.44Å
362	M	64.7	Low	67	Low	34 Å²	34	35.4 Å²	35.4	17%	0.167	17%	0.168	C	C	.	.	H	α-helix	trans	-63.3	-45.6	173.3	-63.7	158.4	68.3	0	0	110.8	T358 I359 F364 N365 L366 L480 A483 L522	T358-M362 HydrophobicContact CG2-SD 4.29Å; T358-M362 WeakPolarHBondContact O-CG 3.5Å; T358-M362 PolarHBondContact O-N 2.87Å; T358-M362 VanDerWaalsContact O-N 3.14Å; I359-M362 HydrophobicContact CD1-SD 4.32Å; I359-M362 WeakPolarHBondContact O-CA 3.45Å; I359-M362 WeakPolarHBondContact O-CB 3.41Å; I359-M362 PolarHBondContact O-N 2.74Å; M362-F364 PolarHBondContact O-N 3.07Å; M362-N365 PolarHBondContact O-N 2.98Å; M362-N365 VanDerWaalsContact O-N 3.14Å; M362-L366 WeakPolarHBondContact O-CG 3.47Å; M362-L366 PolarHBondContact O-N 3.1Å; M362-L480 HydrophobicContact CE-CB 4.41Å; M362-L480 HydrophobicContact CE-CD2 4.21Å; M362-L480 HydrophobicContact SD-CD2 3.93Å; M362-A483 HydrophobicContact CB-CB 3.5Å; M362-A483 HydrophobicContact CE-CB 3.82Å; M362-A483 HydrophobicContact CG-CB 4.46Å; M362-A483 HydrophobicContact SD-CB 4.25Å; M362-L522 HydrophobicContact CE-CD1 4.35Å; M362-L522 HydrophobicContact CE-CD2 3.62Å
363	V	73.9	Confident	67.4	Low	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-55.6	-47.4	174.8	-179.7	0	0	0	0	111.7	I359 L360 N365 L366 F367 L378 A483 I486 A487	I359-V363 HydrophobicContact CG2-CG2 4.47Å; I359-V363 WeakPolarHBondContact O-CG2 3.18Å; I359-V363 PolarHBondContact O-N 3.11Å; L360-V363 PolarHBondContact O-N 3.41Å; V363-N365 VanDerWaalsContact C-N 3.31Å; V363-N365 PolarHBondContact O-N 2.86Å; V363-L366 PolarHBondContact O-N 2.89Å; V363-F367 HydrophobicContact CG1-CD2 3.83Å; V363-F367 HydrophobicContact CG1-CE2 3.68Å; V363-F367 WeakPolarHBondContact O-CD2 3.28Å; V363-F367 PolarHBondContact O-N 3.33Å; V363-F367 VanDerWaalsContact O-N 3.1Å; V363-L378 HydrophobicContact CB-CD2 4.11Å; V363-L378 HydrophobicContact CG1-CD2 3.69Å; V363-A483 HydrophobicContact CG2-CB 4.22Å; V363-A483 WeakPolarHBondContact CG2-O 3.46Å; V363-I486 HydrophobicContact CG1-CG2 4.04Å; V363-I486 HydrophobicContact CG2-CB 3.82Å; V363-I486 HydrophobicContact CG2-CG2 3.78Å; V363-A487 HydrophobicContact CG1-CB 4.44Å
364	F	73.9	Confident	67.9	Low	25 Å²	25	35.4 Å²	35.4	11%	0.11	18%	0.184	C	C	.	.	H	α-helix	trans	-57.2	-42.8	177.2	168.2	-96.4	0	0	0	112.4	F192 L360 N361 M362 F367 Q368 L378	F192-F364 HydrophobicContact CB-CD1 4.37Å; F192-F364 HydrophobicContact CB-CD2 4.3Å; F192-F364 HydrophobicContact CB-CE1 4Å; F192-F364 HydrophobicContact CB-CE2 3.91Å; F192-F364 HydrophobicContact CB-CZ 3.76Å; F192-F364 HydrophobicContact CD1-CD1 4.34Å; F192-F364 HydrophobicContact CD2-CB 3.72Å; F192-F364 AromaticContact CD2-CD1 3.73Å; F192-F364 HydrophobicContact CD2-CD1 3.73Å; F192-F364 AromaticContact CD2-CD2 3.42Å; F192-F364 HydrophobicContact CD2-CD2 3.42Å; F192-F364 VanDerWaalsContact CD2-CD2 3.42Å; F192-F364 HydrophobicContact CD2-CE1 4.22Å; F192-F364 AromaticContact CD2-CE2 3.94Å; F192-F364 HydrophobicContact CD2-CE2 3.94Å; F192-F364 AromaticContact CD2-CG 3.31Å; F192-F364 HydrophobicContact CD2-CG 3.31Å; F192-F364 HydrophobicContact CD2-CZ 4.32Å; F192-F364 HydrophobicContact CE2-CB 3.47Å; F192-F364 VanDerWaalsContact CE2-CB 3.47Å; F192-F364 HydrophobicContact CE2-CD1 4.13Å; F192-F364 HydrophobicContact CE2-CD2 4.11Å; F192-F364 AromaticContact CE2-CG 3.63Å; F192-F364 HydrophobicContact CE2-CG 3.63Å; F192-F364 AromaticContact CG-CD1 3.88Å; F192-F364 HydrophobicContact CG-CD1 3.88Å; F192-F364 HydrophobicContact CG-CD2 4.09Å; F192-F364 HydrophobicContact CG-CE1 4.01Å; F192-F364 HydrophobicContact CG-CE2 4.2Å; F192-F364 AromaticContact CG-CG 3.94Å; F192-F364 HydrophobicContact CG-CG 3.94Å; F192-F364 HydrophobicContact CG-CZ 4.17Å; F192-F364 HydrophobicContact CZ-CB 4.24Å; F192-F364 HydrophobicContact CZ-CG 4.46Å; L360-F364 PolarHBondContact O-N 2.88Å; N361-F364 PolarHBondContact O-N 2.92Å; M362-F364 PolarHBondContact O-N 3.07Å; F364-F367 PolarHBondContact O-N 3.06Å; F364-Q368 HydrophobicContact CD1-CG 4.36Å; F364-Q368 HydrophobicContact CE1-CG 3.84Å; F364-Q368 HydrophobicContact CE2-CG 4.29Å; F364-Q368 HydrophobicContact CZ-CG 3.8Å; F364-Q368 WeakPolarHBondContact O-CG 3.18Å; F364-Q368 PolarHBondContact O-N 3.15Å; F364-Q368 VanDerWaalsContact O-N 3.16Å; F364-Q368 PolarHBondContact O-NE2 2.9Å; F364-L378 HydrophobicContact CB-CB 4.4Å; F364-L378 HydrophobicContact CD2-CB 4.25Å
365	N	60.5	Low	68.6	Low	89 Å²	89	33 Å²	33	48%	0.476	18%	0.178	S	C	.	.	H	α-helix	trans	-68.7	-35.6	179.1	-76.8	-78.1	0	0	0	112.3	N361 M362 V363 F367 Q368 H369	N361-N365 PolarHBondContact O-N 2.76Å; N361-N365 PolarHBondContact O-ND2 3.22Å; N361-N365 PolarHBondContact OD1-ND2 3.37Å; M362-N365 PolarHBondContact O-N 2.98Å; M362-N365 VanDerWaalsContact O-N 3.14Å; V363-N365 VanDerWaalsContact C-N 3.31Å; V363-N365 PolarHBondContact O-N 2.86Å; N365-F367 VanDerWaalsContact C-N 3.32Å; N365-F367 PolarHBondContact O-N 3.24Å; N365-Q368 PolarHBondContact O-N 2.88Å; N365-Q368 VanDerWaalsContact O-N 3.07Å; N365-H369 PolarHBondContact O-N 2.95Å
366	L	71.6	Confident	69.3	Low	21 Å²	21	32.6 Å²	32.6	11%	0.11	18%	0.177	C	C	.	.	H	α-helix	trans	-60.5	-40.8	171.3	-65.6	173.3	0	0	0	111.3	M362 V363 Q368 H369 F484 A487 I511 W527	M362-L366 WeakPolarHBondContact O-CG 3.47Å; M362-L366 PolarHBondContact O-N 3.1Å; V363-L366 PolarHBondContact O-N 2.89Å; L366-Q368 VanDerWaalsContact C-N 3.26Å; L366-Q368 PolarHBondContact O-N 3.1Å; L366-H369 WeakPolarHBondContact O-CB 3.47Å; L366-H369 PolarHBondContact O-N 3.38Å; L366-F484 HydrophobicContact CD1-CD1 3.65Å; L366-F484 HydrophobicContact CD1-CE1 3.88Å; L366-F484 HydrophobicContact CD2-CD1 4.31Å; L366-F484 HydrophobicContact CD2-CE1 3.76Å; L366-F484 HydrophobicContact CG-CE1 4.49Å; L366-A487 HydrophobicContact CB-CB 4.38Å; L366-A487 HydrophobicContact CD1-CB 3.75Å; L366-I511 HydrophobicContact CB-CD1 4.39Å; L366-I511 HydrophobicContact CD2-CD1 4.17Å; L366-W527 PolarHBondContact O-NE1 2.93Å
367	F	76.4	Confident	69.2	Low	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-72.2	-11.7	174.3	-76	-64.5	0	0	0	114.8	V363 F364 N365 L372 V376 A487 M490 M494 W527	V363-F367 HydrophobicContact CG1-CD2 3.83Å; V363-F367 HydrophobicContact CG1-CE2 3.68Å; V363-F367 WeakPolarHBondContact O-CD2 3.28Å; V363-F367 PolarHBondContact O-N 3.33Å; V363-F367 VanDerWaalsContact O-N 3.1Å; F364-F367 PolarHBondContact O-N 3.06Å; N365-F367 VanDerWaalsContact C-N 3.32Å; N365-F367 PolarHBondContact O-N 3.24Å; F367-L372 HydrophobicContact CD1-CD2 3.78Å; F367-L372 HydrophobicContact CE1-CD2 4.42Å; F367-V376 HydrophobicContact CB-CB 4.37Å; F367-V376 HydrophobicContact CD1-CB 4.49Å; F367-A487 HydrophobicContact CE2-CB 4.28Å; F367-A487 HydrophobicContact CZ-CB 4.47Å; F367-M490 HydrophobicContact CE2-CB 4.12Å; F367-M490 HydrophobicContact CE2-CG 4.03Å; F367-M490 HydrophobicContact CE2-SD 3.86Å; F367-M490 HydrophobicContact CZ-CB 3.88Å; F367-M490 HydrophobicContact CZ-CG 3.83Å; F367-M490 HydrophobicContact CZ-SD 4.26Å; F367-M494 HydrophobicContact CD1-CE 4.02Å; F367-M494 HydrophobicContact CE1-CE 3.31Å; F367-M494 HydrophobicContact CZ-CE 3.82Å; F367-W527 HydrophobicContact CD1-CH2 4.09Å; F367-W527 AromaticContact CD1-CZ2 3.55Å; F367-W527 HydrophobicContact CD1-CZ2 3.55Å; F367-W527 AromaticContact CE1-CH2 3.31Å; F367-W527 HydrophobicContact CE1-CH2 3.31Å; F367-W527 AromaticContact CE1-CZ2 3.25Å; F367-W527 HydrophobicContact CE1-CZ2 3.25Å; F367-W527 HydrophobicContact CE1-CZ3 4.41Å; F367-W527 HydrophobicContact CG-CZ2 4.29Å; F367-W527 AromaticContact CZ-CH2 3.66Å; F367-W527 HydrophobicContact CZ-CH2 3.66Å; F367-W527 AromaticContact CZ-CZ2 3.8Å; F367-W527 HydrophobicContact CZ-CZ2 3.8Å
368	Q	67.6	Low	69.7	Low	55 Å²	55	31.2 Å²	31.2	26%	0.257	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-3.5	167.5	-55.4	-30.9	-65.2	0	0	112.9	F364 N365 L366 K370 V376	F364-Q368 HydrophobicContact CD1-CG 4.36Å; F364-Q368 HydrophobicContact CE1-CG 3.84Å; F364-Q368 HydrophobicContact CE2-CG 4.29Å; F364-Q368 HydrophobicContact CZ-CG 3.8Å; F364-Q368 WeakPolarHBondContact O-CG 3.18Å; F364-Q368 PolarHBondContact O-N 3.15Å; F364-Q368 VanDerWaalsContact O-N 3.16Å; F364-Q368 PolarHBondContact O-NE2 2.9Å; N365-Q368 PolarHBondContact O-N 2.88Å; N365-Q368 VanDerWaalsContact O-N 3.07Å; L366-Q368 VanDerWaalsContact C-N 3.26Å; L366-Q368 PolarHBondContact O-N 3.1Å; Q368-K370 PolarHBondContact O-N 2.78Å; Q368-V376 PolarHBondContact NE2-O 3.4Å
369	H	66.8	Low	70.3	Confident	79 Å²	79	31 Å²	31	37%	0.366	17%	0.165	S	C	.	.			trans	-68.7	127.4	-175.3	-170.5	-96.6	0	0	0	112.4	N365 L366 S371 L372 S526	N365-H369 PolarHBondContact O-N 2.95Å; L366-H369 WeakPolarHBondContact O-CB 3.47Å; L366-H369 PolarHBondContact O-N 3.38Å; H369-S371 PolarHBondContact CE1-OG 2.82Å; H369-S371 PolarHBondContact ND1-N 2.85Å; H369-S371 PolarHBondContact ND1-OG 3.18Å; H369-S371 PolarHBondContact O-N 3.46Å; H369-L372 WeakPolarHBondContact O-CB 3.16Å; H369-L372 PolarHBondContact O-N 2.88Å; H369-L372 VanDerWaalsContact O-N 3.09Å; H369-S526 VanDerWaalsContact CE1-CB 3.47Å; H369-S526 WeakPolarHBondContact CE1-CB 3.45Å
370	K	64.7	Low	70.4	Confident	82 Å²	82	31.1 Å²	31.1	36%	0.357	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-59.3	-25.6	-166.8	-57.9	-171.1	-171.8	-170.5	0	115.1	L239 Q368 L372 G373	L239-K370 HydrophobicContact CD2-CD 4.43Å; L239-K370 VanDerWaalsContact CD2-CE 3.48Å; Q368-K370 PolarHBondContact O-N 2.78Å; K370-L372 PolarHBondContact O-N 2.04Å; K370-G373 PolarHBondContact O-N 3.07Å
371	S	74.7	Confident	70.2	Confident	39 Å²	39	32.2 Å²	32.2	27%	0.273	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-65.4	-26.3	-179.8	65	0	0	0	0	113.1	H369 G373 W527	H369-S371 PolarHBondContact CE1-OG 2.82Å; H369-S371 PolarHBondContact ND1-N 2.85Å; H369-S371 PolarHBondContact ND1-OG 3.18Å; H369-S371 PolarHBondContact O-N 3.46Å; S371-G373 PolarHBondContact O-N 2.88Å; S371-W527 WeakPolarHBondContact CB-O 3.42Å; S371-W527 WeakPolarHBondContact OG-CA 2.96Å; S371-W527 WeakPolarHBondContact OG-CB 3.02Å; S371-W527 PolarHBondContact OG-N 3.27Å; S371-W527 PolarHBondContact OG-O 3.05Å
372	L	79.1	Confident	70.3	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-66.9	-26.5	172.4	-165.4	58.6	0	0	0	112.6	F367 H369 K370 V374 I496 W527 K532 L535	F367-L372 HydrophobicContact CD1-CD2 3.78Å; F367-L372 HydrophobicContact CE1-CD2 4.42Å; H369-L372 WeakPolarHBondContact O-CB 3.16Å; H369-L372 PolarHBondContact O-N 2.88Å; H369-L372 VanDerWaalsContact O-N 3.09Å; K370-L372 PolarHBondContact O-N 2.04Å; L372-V374 PolarHBondContact O-N 3.39Å; L372-I496 HydrophobicContact CD1-CD1 4.49Å; L372-W527 HydrophobicContact CB-CB 4.3Å; L372-W527 HydrophobicContact CB-CG 3.92Å; L372-W527 HydrophobicContact CD1-CB 4.18Å; L372-W527 HydrophobicContact CD1-CD2 3.79Å; L372-W527 HydrophobicContact CD1-CE3 4.07Å; L372-W527 HydrophobicContact CD1-CG 3.84Å; L372-W527 HydrophobicContact CD2-CD2 4.38Å; L372-W527 HydrophobicContact CD2-CZ2 4.42Å; L372-W527 HydrophobicContact CG-CD2 4.47Å; L372-W527 HydrophobicContact CG-CG 4.33Å; L372-K532 WeakPolarHBondContact O-CD 3.4Å; L372-K532 VanDerWaalsContact O-CG 3.24Å; L372-K532 WeakPolarHBondContact O-CG 3.29Å; L372-L535 HydrophobicContact CD1-CB 4.47Å; L372-L535 HydrophobicContact CD1-CD2 3.58Å; L372-L535 HydrophobicContact CD2-CD2 3.84Å; L372-L535 HydrophobicContact CG-CD2 3.65Å
373	G	67.3	Low	70.8	Confident	43 Å²	43	30.2 Å²	30.2	44%	0.443	16%	0.159	S	C	.	.			trans	69.7	-0.5	170.4	0	0	0	0	0	117.3	K370 S371	K370-G373 PolarHBondContact O-N 3.07Å; S371-G373 PolarHBondContact O-N 2.88Å
374	V	71.4	Confident	70.8	Confident	21 Å²	21	30.2 Å²	30.2	13%	0.127	16%	0.159	C	C	.	.	S	Bend	trans	-132.3	140.9	173	-176.5	0	0	0	0	107.8	Y331 L372 E536 L539	Y331-V374 HydrophobicContact CD2-CG1 3.64Å; Y331-V374 HydrophobicContact CE2-CG1 3.6Å; L372-V374 PolarHBondContact O-N 3.39Å; V374-E536 HydrophobicContact CG2-CG 4.13Å; V374-L539 HydrophobicContact CB-CD1 4.39Å; V374-L539 HydrophobicContact CG1-CD1 3.83Å; V374-L539 HydrophobicContact CG2-CD1 4.43Å
375	Q	66.8	Low	70.9	Confident	83 Å²	83	29 Å²	29	39%	0.388	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	122.3	178.6	-62.7	-176.9	12.6	0	0	110.4	R191 Q329 E330 Y331	R191-Q375 VanDerWaalsContact NH2-OE1 3.14Å; Q329-Q375 PolarHBondContact O-N 2.93Å; E330-Q375 WeakPolarHBondContact CA-O 3.33Å; E330-Q375 HydrophobicContact CG-CB 4.43Å; Y331-Q375 PolarHBondContact N-O 3.4Å
376	V	75.8	Confident	71.9	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.006	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	109.1	-178.5	-180	0	0	0	0	108.6	I333 F367 Q368 L378 M494 L535	I333-V376 HydrophobicContact CD1-CG1 3.45Å; I333-V376 VanDerWaalsContact CD1-CG1 3.45Å; I333-V376 HydrophobicContact CG1-CG1 4.04Å; F367-V376 HydrophobicContact CB-CB 4.37Å; F367-V376 HydrophobicContact CD1-CB 4.49Å; Q368-V376 PolarHBondContact NE2-O 3.4Å; V376-L378 PolarHBondContact O-N 3.19Å; V376-M494 HydrophobicContact CG1-CE 4.44Å; V376-M494 HydrophobicContact CG1-SD 4.19Å; V376-L535 HydrophobicContact CG2-CD2 4.27Å
377	N	70.4	Confident	72.3	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	101	-176.9	-61.3	-54.4	0	0	0	110.5	Y331 N332 I333 R379	Y331-N377 WeakPolarHBondContact O-CB 3.37Å; Y331-N377 PolarHBondContact O-N 2.92Å; Y331-N377 PolarHBondContact O-ND2 2.04Å; N332-N377 CarbonylContact C-O 3.59Å; N332-N377 WeakPolarHBondContact CA-O 3.37Å; N332-N377 WeakPolarHBondContact OD1-CB 3.43Å; N332-N377 PolarHBondContact OD1-ND2 1.89Å; I333-N377 PolarHBondContact N-O 3.23Å; N377-R379 PolarHBondContact O-N 3.19Å
378	L	73.3	Confident	72.4	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	119.5	171.2	-176.1	65.1	0	0	0	110.5	I333 T335 V363 F364 V376 M490	I333-L378 HydrophobicContact CB-CD1 4.22Å; I333-L378 HydrophobicContact CG2-CD1 4.17Å; T335-L378 HydrophobicContact CG2-CD1 3.61Å; T335-L378 HydrophobicContact CG2-CG 4.33Å; V363-L378 HydrophobicContact CB-CD2 4.11Å; V363-L378 HydrophobicContact CG1-CD2 3.69Å; F364-L378 HydrophobicContact CB-CB 4.4Å; F364-L378 HydrophobicContact CD2-CB 4.25Å; V376-L378 PolarHBondContact O-N 3.19Å; L378-M490 HydrophobicContact CD1-CE 3.89Å; L378-M490 HydrophobicContact CD1-SD 3.74Å
379	R	71.1	Confident	73.1	Confident	31 Å²	31	33 Å²	33	12%	0.117	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	105.9	177.5	-63	-172.2	-173.6	-164	6.2	111	N332 I333 E334 T335 N377 I381 S554	N332-R379 VanDerWaalsContact OD1-CZ 3.3Å; N332-R379 PolarHBondContact OD1-NE 2.64Å; N332-R379 PolarHBondContact OD1-NH2 2.87Å; I333-R379 WeakPolarHBondContact O-CA 3.36Å; I333-R379 PolarHBondContact O-N 2.8Å; E334-R379 WeakPolarHBondContact CA-O 3.45Å; T335-R379 PolarHBondContact N-O 3.4Å; N377-R379 PolarHBondContact O-N 3.19Å; R379-I381 PolarHBondContact O-N 3.36Å; R379-S554 PolarHBondContact NH1-O 2.04Å
380	V	73.2	Confident	73.9	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	114.8	175.4	-170.5	0	0	0	0	109.5	A194 F197 T335 V337 L360	A194-V380 WeakPolarHBondContact CB-O 3.25Å; F197-V380 HydrophobicContact CD2-CB 4.34Å; F197-V380 HydrophobicContact CD2-CG1 3.92Å; F197-V380 HydrophobicContact CE2-CB 4.49Å; F197-V380 HydrophobicContact CE2-CG1 3.71Å; T335-V380 HydrophobicContact CG2-CG2 4.28Å; V337-V380 HydrophobicContact CG2-CG1 4.27Å; L360-V380 HydrophobicContact CB-CG2 4.16Å; L360-V380 HydrophobicContact CD1-CG1 4.3Å; L360-V380 HydrophobicContact CD1-CG2 3.92Å; L360-V380 HydrophobicContact CG-CG2 4.43Å
381	I	67	Low	74.3	Confident	25 Å²	25	32.7 Å²	32.7	13%	0.128	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-31.1	-178.2	51	162.7	0	0	0	113.4	A194 F197 E334 T335 V336 R379 V435	A194-I381 HydrophobicContact CB-CG2 3.95Å; F197-I381 WeakPolarHBondContact CA-O 3.03Å; E334-I381 HydrophobicContact CB-CD1 4.34Å; E334-I381 HydrophobicContact CB-CG2 4.08Å; E334-I381 HydrophobicContact CG-CG2 4.35Å; T335-I381 WeakPolarHBondContact O-CG1 3.44Å; T335-I381 PolarHBondContact O-N 2.87Å; V336-I381 HydrophobicContact CG2-CD1 3.84Å; V336-I381 HydrophobicContact CG2-CG1 3.88Å; R379-I381 PolarHBondContact O-N 3.36Å; I381-V435 HydrophobicContact CD1-CB 4.21Å; I381-V435 HydrophobicContact CD1-CG1 3.7Å
382	K	66.4	Low	74.4	Confident	40 Å²	40	34.9 Å²	34.9	17%	0.174	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	142.9	178.6	-156.7	168.9	-178.8	179.5	0	110.9	A198 E200 V336 V337 I384	A198-K382 HydrophobicContact CB-CG 4.44Å; A198-K382 WeakPolarHBondContact O-CA 3.28Å; E200-K382 WeakPolarHBondContact OE2-CE 3.48Å; E200-K382 IonicContact OE2-NZ 3.78Å; E200-K382 PolarHBondContact OE2-NZ 3.46Å; V336-K382 WeakPolarHBondContact CA-O 3.15Å; V336-K382 HydrophobicContact CG1-CB 4.41Å; V336-K382 HydrophobicContact CG2-CB 4.03Å; V337-K382 PolarHBondContact N-O 3.09Å; K382-I384 HydrophobicContact CG-CG1 4.38Å
383	L	74.3	Confident	74.8	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	129	169.3	174.6	63.1	0	0	0	108.7	F197 A198 V199 E200 V337 R353 I356 L385	F197-L383 HydrophobicContact CE2-CB 3.86Å; F197-L383 HydrophobicContact CZ-CB 3.93Å; F197-L383 HydrophobicContact CZ-CD2 4.47Å; A198-L383 PolarHBondContact O-N 3.08Å; V199-L383 CarbonylContact C-O 3.32Å; V199-L383 VanDerWaalsContact CA-O 3.3Å; V199-L383 WeakPolarHBondContact CA-O 3.3Å; V199-L383 HydrophobicContact CG1-CB 4.44Å; V199-L383 HydrophobicContact CG1-CD2 4.2Å; V199-L383 HydrophobicContact CG1-CG 4.29Å; V199-L383 HydrophobicContact CG2-CB 4.26Å; V199-L383 HydrophobicContact CG2-CD2 4.32Å; E200-L383 PolarHBondContact N-O 2.98Å; V337-L383 HydrophobicContact CB-CD1 3.99Å; V337-L383 HydrophobicContact CG1-CD1 4.01Å; V337-L383 CarbonylContact O-C 3.59Å; V337-L383 VanDerWaalsContact O-CA 3.3Å; V337-L383 WeakPolarHBondContact O-CA 3.29Å; R353-L383 HydrophobicContact CB-CD2 4.4Å; R353-L383 HydrophobicContact CG-CD2 4.13Å; I356-L383 HydrophobicContact CD1-CD1 4.33Å; I356-L383 HydrophobicContact CG2-CD1 3.88Å; L383-L385 HydrophobicContact CD1-CD2 4.24Å; L383-L385 HydrophobicContact CD2-CD2 4.32Å; L383-L385 HydrophobicContact CG-CD2 4.11Å
384	I	75.6	Confident	75.9	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	127	-178.7	-58.6	170.6	0	0	0	108.7	E200 V336 V337 V338 A339 K382 L386 W409 F414	E200-I384 HydrophobicContact CB-CG1 4.34Å; V336-I384 HydrophobicContact CG1-CD1 3.97Å; V336-I384 HydrophobicContact CG1-CG1 4.47Å; V337-I384 PolarHBondContact O-N 3.46Å; V338-I384 CarbonylContact C-O 3.38Å; V338-I384 WeakPolarHBondContact CA-O 3.35Å; V338-I384 HydrophobicContact CG1-CB 4.47Å; V338-I384 HydrophobicContact CG2-CB 4.38Å; V338-I384 HydrophobicContact CG2-CD1 4.45Å; A339-I384 PolarHBondContact N-O 3.27Å; K382-I384 HydrophobicContact CG-CG1 4.38Å; I384-L386 HydrophobicContact CG2-CD2 3.98Å; I384-L386 HydrophobicContact CG2-CG 4.46Å; I384-W409 HydrophobicContact CD1-CH2 4.38Å; I384-F414 HydrophobicContact CD1-CE2 4.5Å; I384-F414 HydrophobicContact CD1-CZ 3.88Å
385	L	75.9	Confident	76.7	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	104	177.7	-54.1	-177.9	0	0	0	109.1	V199 E200 Q201 R202 A339 V344 A349 R353 L383 H387	V199-L385 HydrophobicContact CG1-CD1 4.09Å; V199-L385 HydrophobicContact CG1-CG 4.24Å; E200-L385 PolarHBondContact O-N 3.28Å; Q201-L385 WeakPolarHBondContact CA-O 3.4Å; Q201-L385 HydrophobicContact CG-CB 4.27Å; Q201-L385 HydrophobicContact CG-CD1 4.28Å; R202-L385 PolarHBondContact N-O 2.74Å; R202-L385 VanDerWaalsContact N-O 3.14Å; A339-L385 HydrophobicContact CB-CD2 3.58Å; V344-L385 HydrophobicContact CG2-CB 3.85Å; V344-L385 HydrophobicContact CG2-CD2 4.34Å; A349-L385 HydrophobicContact CB-CD1 3.97Å; A349-L385 WeakPolarHBondContact O-CD1 3.23Å; R353-L385 HydrophobicContact CB-CD1 4.46Å; L383-L385 HydrophobicContact CD1-CD2 4.24Å; L383-L385 HydrophobicContact CD2-CD2 4.32Å; L383-L385 HydrophobicContact CG-CD2 4.11Å; L385-H387 PolarHBondContact O-ND1 3.17Å
386	L	81	Confident	77.5	Confident	1 Å²	1	34 Å²	34	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	124.4	178.2	-60	177.4	0	0	0	109.6	R202 V338 A339 P341 V344 I384 P390 L393	R202-L386 HydrophobicContact CB-CD2 4.3Å; V338-L386 HydrophobicContact CG1-CD1 3.61Å; V338-L386 HydrophobicContact CG1-CG 3.88Å; A339-L386 WeakPolarHBondContact O-CB 3.13Å; A339-L386 PolarHBondContact O-N 2.93Å; P341-L386 WeakPolarHBondContact CA-O 3.43Å; P341-L386 HydrophobicContact CG-CB 4.18Å; V344-L386 WeakPolarHBondContact CG2-O 3.47Å; I384-L386 HydrophobicContact CG2-CD2 3.98Å; I384-L386 HydrophobicContact CG2-CG 4.46Å; L386-P390 HydrophobicContact CD1-CG 4.42Å; L386-P390 HydrophobicContact CD2-CG 4.28Å; L386-L393 HydrophobicContact CD1-CD2 4.02Å
387	H	78.9	Confident	77.9	Confident	80 Å²	80	36.4 Å²	36.4	37%	0.37	19%	0.19	S	C	.	.	S	Bend	trans	-90.4	-22.4	173.8	-71	67.6	0	0	0	112.3	R202 L385	R202-H387 PolarHBondContact O-N 3.5Å; L385-H387 PolarHBondContact O-ND1 3.17Å
388	E	78.8	Confident	78.7	Confident	98 Å²	98	37.5 Å²	37.5	46%	0.458	20%	0.195	S	C	.	.	S	Bend	trans	-140.1	156.4	172	-68.3	179.2	-177	0	0	109.1	N204 P390	N204-E388 WeakPolarHBondContact CB-OE1 3.32Å; N204-E388 VanDerWaalsContact CB-OE2 3.31Å; N204-E388 WeakPolarHBondContact CB-OE2 3.48Å; N204-E388 PolarHBondContact ND2-OE1 2.82Å; N204-E388 PolarHBondContact ND2-OE2 2.83Å; E388-P390 WeakPolarHBondContact O-CD 3.23Å
389	T	82.8	Confident	79.3	Confident	69 Å²	69	37.5 Å²	37.5	42%	0.423	20%	0.195	S	C	.	.			trans	-80.1	124.4	-177.5	-46.6	0	0	0	0	110.1	L393 I395	T389-L393 HydrophobicContact CG2-CB 4.3Å; T389-L393 HydrophobicContact CG2-CG 4.38Å; T389-L393 WeakPolarHBondContact CG2-O 3.27Å; T389-I395 HydrophobicContact CG2-CB 4.47Å; T389-I395 HydrophobicContact CG2-CD1 3.93Å; T389-I395 HydrophobicContact CG2-CG1 3.95Å
390	P	83.4	Confident	80	Confident	25 Å²	25	38.4 Å²	38.4	16%	0.162	20%	0.201	C	C	.	.			trans	-57.3	146.5	174.4	-24.9	34.1	0	0	0	112.4	L386 E388 D392 L393	L386-P390 HydrophobicContact CD1-CG 4.42Å; L386-P390 HydrophobicContact CD2-CG 4.28Å; E388-P390 WeakPolarHBondContact O-CD 3.23Å; P390-D392 PolarHBondContact O-N 3.27Å; P390-D392 VanDerWaalsContact O-N 3.17Å; P390-L393 HydrophobicContact CB-CB 4.2Å; P390-L393 HydrophobicContact CG-CB 4.43Å; P390-L393 PolarHBondContact O-N 3.47Å
391	P	72.6	Confident	80.7	Confident	129 Å²	129	43.1 Å²	43.1	84%	0.838	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-24.9	-176.6	25.9	-35.3	0	0	0	113.9
392	D	78.3	Confident	81.8	Confident	86 Å²	86	42 Å²	42	46%	0.46	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	2.7	175.9	-71.8	-84.1	0	0	0	114.3	P390 S405 K408	P390-D392 PolarHBondContact O-N 3.27Å; P390-D392 VanDerWaalsContact O-N 3.17Å; D392-S405 PolarHBondContact O-OG 3.02Å; D392-S405 VanDerWaalsContact O-OG 3.1Å; D392-K408 IonicContact OD1-NZ 3.69Å; D392-K408 PolarHBondContact OD1-NZ 3.37Å
393	L	87.2	Confident	82.9	Confident	6 Å²	6	40.3 Å²	40.3	3%	0.031	21%	0.208	C	C	.	.			trans	-119.7	106.7	-178.1	-176	60.8	0	0	0	111.2	L386 T389 P390 I395 S405 F406 W409	L386-L393 HydrophobicContact CD1-CD2 4.02Å; T389-L393 HydrophobicContact CG2-CB 4.3Å; T389-L393 HydrophobicContact CG2-CG 4.38Å; T389-L393 WeakPolarHBondContact CG2-O 3.27Å; P390-L393 HydrophobicContact CB-CB 4.2Å; P390-L393 HydrophobicContact CG-CB 4.43Å; P390-L393 PolarHBondContact O-N 3.47Å; L393-I395 HydrophobicContact CD2-CD1 4.07Å; L393-I395 HydrophobicContact CD2-CG1 4.42Å; L393-I395 HydrophobicContact CG-CD1 4.29Å; L393-I395 HydrophobicContact CG-CG1 4.09Å; L393-S405 WeakPolarHBondContact CA-OG 3.49Å; L393-F406 HydrophobicContact CD1-CB 3.91Å; L393-F406 HydrophobicContact CD1-CD2 4.01Å; L393-F406 HydrophobicContact CD1-CG 4.47Å; L393-W409 HydrophobicContact CB-CG 4.49Å; L393-W409 HydrophobicContact CD1-CB 4.3Å
394	Y	89.8	Confident	83.6	Confident	78 Å²	78	45.5 Å²	45.5	31%	0.306	23%	0.232	S	C	.	.			trans	-79	126.7	170.6	172.1	-97.5	0	0	0	111	H398 K401 M402 S405 D451	Y394-H398 HydrophobicContact CE1-CB 4.2Å; Y394-K401 HydrophobicContact CD1-CB 3.93Å; Y394-K401 HydrophobicContact CE1-CB 3.9Å; Y394-M402 WeakPolarHBondContact O-CG 3.28Å; Y394-S405 PolarHBondContact N-OG 2.91Å; Y394-D451 PolarHBondContact OH-OD1 3.36Å; Y394-D451 VanDerWaalsContact OH-OD1 3.11Å
395	I	87.9	Confident	84.4	Confident	35 Å²	35	46.5 Å²	46.5	18%	0.179	24%	0.24	C	C	.	.			trans	-129.5	115.5	169.2	-53	-176.8	0	0	0	107.5	D340 T389 L393 M402 L440 K444	D340-I395 HydrophobicContact CB-CD1 3.66Å; T389-I395 HydrophobicContact CG2-CB 4.47Å; T389-I395 HydrophobicContact CG2-CD1 3.93Å; T389-I395 HydrophobicContact CG2-CG1 3.95Å; L393-I395 HydrophobicContact CD2-CD1 4.07Å; L393-I395 HydrophobicContact CD2-CG1 4.42Å; L393-I395 HydrophobicContact CG-CD1 4.29Å; L393-I395 HydrophobicContact CG-CG1 4.09Å; I395-M402 HydrophobicContact CG2-CE 4.09Å; I395-M402 HydrophobicContact CG2-SD 4.18Å; I395-L440 HydrophobicContact CD1-CD2 4.4Å; I395-K444 HydrophobicContact CG2-CB 4.21Å; I395-K444 HydrophobicContact CG2-CG 4.37Å
396	G	84.9	Confident	85.2	Confident	9 Å²	9	46.5 Å²	46.5	9%	0.093	24%	0.24	C	C	.	.	S	Bend	trans	-157.2	-164.3	-174.4	0	0	0	0	0	110.8	H398 M402 K444	G396-H398 VanDerWaalsContact C-N 3.31Å; G396-M402 WeakPolarHBondContact O-CE 3.38Å; G396-K444 WeakPolarHBondContact O-CG 3.07Å
397	H	84.3	Confident	85.6	Confident	51 Å²	51	46.7 Å²	46.7	24%	0.236	24%	0.241	C	C	.	.	S	Bend	trans	-80.7	-14.6	178.2	-66.8	-76.2	0	0	0	112.4	G399 K444 D445 F446 C447 K450 D451	H397-G399 PolarHBondContact O-N 2.94Å; H397-K444 PolarHBondContact CD2-NZ 2.87Å; H397-K444 VanDerWaalsContact CE1-CE 3.45Å; H397-K444 WeakPolarHBondContact CE1-CE 3.4Å; H397-K444 PolarHBondContact CE1-NZ 3.25Å; H397-K444 WeakPolarHBondContact NE2-CE 3.35Å; H397-K444 PolarHBondContact NE2-NZ 3.08Å; H397-D445 PolarHBondContact ND1-O 3.48Å; H397-F446 CarbonylContact O-C 3.57Å; H397-F446 VanDerWaalsContact O-CA 3.24Å; H397-F446 WeakPolarHBondContact O-CA 3.49Å; H397-F446 WeakPolarHBondContact O-CB 3.38Å; H397-C447 PolarHBondContact O-N 3.39Å; H397-K450 CarbonylContact C-O 3.6Å; H397-K450 VanDerWaalsContact O-O 3.06Å; H397-D451 WeakPolarHBondContact CA-OD1 3.2Å; H397-D451 WeakPolarHBondContact CB-OD1 3.33Å; H397-D451 PolarHBondContact N-OD1 3.22Å
398	H	86.9	Confident	86	Confident	23 Å²	23	47 Å²	47	11%	0.106	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-86.7	94.9	-176.4	-155.7	99.4	0	0	0	113.6	Y394 G396 E400 K401 M402 H449 K450 D451	Y394-H398 HydrophobicContact CE1-CB 4.2Å; G396-H398 VanDerWaalsContact C-N 3.31Å; H398-E400 PolarHBondContact O-N 3.05Å; H398-K401 HydrophobicContact CB-CB 4.49Å; H398-K401 HydrophobicContact CB-CD 4.21Å; H398-K401 WeakPolarHBondContact CD2-CD 3.4Å; H398-K401 VanDerWaalsContact CD2-CE 3.5Å; H398-K401 WeakPolarHBondContact CD2-CE 3.05Å; H398-K401 VanDerWaalsContact CD2-CG 3.43Å; H398-K401 WeakPolarHBondContact CD2-CG 3.33Å; H398-K401 WeakPolarHBondContact NE2-CE 3.47Å; H398-K401 PolarHBondContact O-N 2.86Å; H398-M402 PolarHBondContact O-N 2.95Å; H398-M402 VanDerWaalsContact O-N 3.07Å; H398-H449 PolarHBondContact CE1-O 3.02Å; H398-H449 VanDerWaalsContact CE1-O 3.26Å; H398-K450 WeakPolarHBondContact CA-O 3.48Å; H398-D451 HydrophobicContact CB-CB 4.02Å; H398-D451 PolarHBondContact N-OD1 3.18Å; H398-D451 VanDerWaalsContact N-OD1 3.1Å; H398-D451 PolarHBondContact ND1-N 3.29Å
399	G	85.6	Confident	86.4	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-58.4	-45.6	-170.5	0	0	0	0	0	115.5	H397 K401 M402 L403 C447	H397-G399 PolarHBondContact O-N 2.94Å; G399-K401 VanDerWaalsContact C-N 3.34Å; G399-K401 PolarHBondContact O-N 3.26Å; G399-M402 WeakPolarHBondContact O-CA 3.06Å; G399-M402 WeakPolarHBondContact O-CB 3.47Å; G399-M402 PolarHBondContact O-N 2.88Å; G399-M402 VanDerWaalsContact O-N 3.1Å; G399-L403 PolarHBondContact O-N 2.03Å; G399-C447 PolarHBondContact N-O 2.88Å
400	E	86.3	Confident	86.6	Confident	51 Å²	51	39.6 Å²	39.6	24%	0.238	20%	0.201	C	C	.	.	H	α-helix	trans	-60.8	-40.7	-180	179.3	169.3	-149.8	0	0	112.4	I303 H398 L403 E404 V448 H449	I303-E400 WeakPolarHBondContact CD1-OE1 3.35Å; H398-E400 PolarHBondContact O-N 3.05Å; E400-L403 PolarHBondContact O-N 3.5Å; E400-E404 WeakPolarHBondContact O-CG 3.43Å; E400-E404 PolarHBondContact O-N 2.02Å; E400-V448 WeakPolarHBondContact CB-O 3.28Å; E400-V448 PolarHBondContact N-O 3.18Å; E400-H449 IonicContact OE2-CE1 2.69Å; E400-H449 PolarHBondContact OE2-CE1 2.84Å; E400-H449 IonicContact OE2-CG 3.09Å; E400-H449 IonicContact OE2-ND1 2.65Å; E400-H449 PolarHBondContact OE2-ND1 2.99Å
401	K	86.4	Confident	86.6	Confident	100 Å²	100	40.4 Å²	40.4	44%	0.435	20%	0.203	S	C	.	.	H	α-helix	trans	-70.7	-34	174.7	-71.5	169.8	-163.8	154.4	0	112.1	Y394 H398 G399 L403 S405	Y394-K401 HydrophobicContact CD1-CB 3.93Å; Y394-K401 HydrophobicContact CE1-CB 3.9Å; H398-K401 HydrophobicContact CB-CB 4.49Å; H398-K401 HydrophobicContact CB-CD 4.21Å; H398-K401 WeakPolarHBondContact CD2-CD 3.4Å; H398-K401 VanDerWaalsContact CD2-CE 3.5Å; H398-K401 WeakPolarHBondContact CD2-CE 3.05Å; H398-K401 VanDerWaalsContact CD2-CG 3.43Å; H398-K401 WeakPolarHBondContact CD2-CG 3.33Å; H398-K401 WeakPolarHBondContact NE2-CE 3.47Å; H398-K401 PolarHBondContact O-N 2.86Å; G399-K401 VanDerWaalsContact C-N 3.34Å; G399-K401 PolarHBondContact O-N 3.26Å; K401-L403 VanDerWaalsContact C-N 3.32Å; K401-S405 VanDerWaalsContact O-CB 3.23Å; K401-S405 WeakPolarHBondContact O-CB 3.41Å; K401-S405 PolarHBondContact O-N 3.38Å
402	M	90.1	Very high	87	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.4	-43.8	172.5	-158.9	-166.2	-57.2	0	0	110	Y394 I395 G396 H398 G399 S405 F406 L440 T442 F446 I474	Y394-M402 WeakPolarHBondContact O-CG 3.28Å; I395-M402 HydrophobicContact CG2-CE 4.09Å; I395-M402 HydrophobicContact CG2-SD 4.18Å; G396-M402 WeakPolarHBondContact O-CE 3.38Å; H398-M402 PolarHBondContact O-N 2.95Å; H398-M402 VanDerWaalsContact O-N 3.07Å; G399-M402 WeakPolarHBondContact O-CA 3.06Å; G399-M402 WeakPolarHBondContact O-CB 3.47Å; G399-M402 PolarHBondContact O-N 2.88Å; G399-M402 VanDerWaalsContact O-N 3.1Å; M402-S405 PolarHBondContact O-N 2.97Å; M402-F406 VanDerWaalsContact O-CB 3.24Å; M402-F406 WeakPolarHBondContact O-CB 3.03Å; M402-F406 PolarHBondContact O-N 3.17Å; M402-L440 HydrophobicContact CG-CD2 4.37Å; M402-L440 HydrophobicContact SD-CD2 4.06Å; M402-T442 HydrophobicContact CE-CG2 4.5Å; M402-T442 HydrophobicContact SD-CG2 4.23Å; M402-F446 HydrophobicContact CE-CB 3.91Å; M402-F446 HydrophobicContact CE-CD1 3.88Å; M402-F446 HydrophobicContact CE-CG 4.06Å; M402-I474 VanDerWaalsContact C-CD1 3.42Å; M402-I474 HydrophobicContact CB-CD1 3.81Å; M402-I474 HydrophobicContact CG-CD1 3.66Å; M402-I474 HydrophobicContact SD-CD1 3.84Å; M402-I474 HydrophobicContact SD-CG2 3.81Å
403	L	90.3	Very high	86.8	Confident	5 Å²	5	35.7 Å²	35.7	3%	0.026	17%	0.167	C	C	.	.	H	α-helix	trans	-65	-47.5	177.5	-175	65.4	0	0	0	112.2	G399 E400 K401 S405 F406 C407 I459 Y461 C472 I474	G399-L403 PolarHBondContact O-N 2.03Å; E400-L403 PolarHBondContact O-N 3.5Å; K401-L403 VanDerWaalsContact C-N 3.32Å; L403-S405 PolarHBondContact O-N 3.49Å; L403-F406 PolarHBondContact O-N 2.77Å; L403-C407 VanDerWaalsContact O-CB 3.27Å; L403-C407 WeakPolarHBondContact O-CB 3.19Å; L403-C407 PolarHBondContact O-N 3.09Å; L403-C407 PolarHBondContact O-SG 3.39Å; L403-C407 VanDerWaalsContact O-SG 3.32Å; L403-I459 HydrophobicContact CB-CG2 4.39Å; L403-I459 HydrophobicContact CD2-CD1 4.07Å; L403-I459 HydrophobicContact CD2-CG1 4.06Å; L403-Y461 HydrophobicContact CD2-CD1 4.19Å; L403-Y461 HydrophobicContact CD2-CD2 3.96Å; L403-Y461 HydrophobicContact CD2-CE1 4.06Å; L403-Y461 HydrophobicContact CD2-CE2 3.86Å; L403-Y461 HydrophobicContact CD2-CG 4.13Å; L403-Y461 HydrophobicContact CG-CD2 4.2Å; L403-Y461 HydrophobicContact CG-CE2 3.85Å; L403-C472 HydrophobicContact CD1-CB 4.29Å; L403-I474 VanDerWaalsContact CA-CD1 3.49Å; L403-I474 HydrophobicContact CB-CD1 4.05Å; L403-I474 HydrophobicContact CD1-CD1 4.28Å; L403-I474 HydrophobicContact CD1-CG1 4.13Å
404	E	89.4	Confident	86.1	Confident	109 Å²	109	36 Å²	36	51%	0.509	17%	0.168	S	C	.	.	H	α-helix	trans	-59.4	-45.3	175.3	-74.6	-169.5	147.3	0	0	112	E400 C407 K408 Y461	E400-E404 WeakPolarHBondContact O-CG 3.43Å; E400-E404 PolarHBondContact O-N 2.02Å; E404-C407 PolarHBondContact O-N 3.27Å; E404-K408 PolarHBondContact O-N 2.83Å; E404-Y461 WeakPolarHBondContact CG-OH 3.48Å
405	S	91.4	Very high	84.6	Confident	22 Å²	22	33.1 Å²	33.1	15%	0.154	16%	0.162	C	C	.	.	H	α-helix	trans	-69.5	-40.7	-179.5	-161.7	0	0	0	0	112.4	D392 L393 Y394 K401 M402 L403 K408 W409	D392-S405 PolarHBondContact O-OG 3.02Å; D392-S405 VanDerWaalsContact O-OG 3.1Å; L393-S405 WeakPolarHBondContact CA-OG 3.49Å; Y394-S405 PolarHBondContact N-OG 2.91Å; K401-S405 VanDerWaalsContact O-CB 3.23Å; K401-S405 WeakPolarHBondContact O-CB 3.41Å; K401-S405 PolarHBondContact O-N 3.38Å; M402-S405 PolarHBondContact O-N 2.97Å; L403-S405 PolarHBondContact O-N 3.49Å; S405-K408 PolarHBondContact O-N 3.15Å; S405-W409 WeakPolarHBondContact O-CB 3.03Å; S405-W409 PolarHBondContact O-N 3.11Å
406	F	92.7	Very high	83	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-66.8	-38.5	175.3	-177.9	-121.2	0	0	0	111.5	V338 L393 M402 L403 W409 Q410 A438 L440 C472 I474	V338-F406 HydrophobicContact CB-CE2 4.36Å; V338-F406 HydrophobicContact CG2-CE2 4.06Å; V338-F406 HydrophobicContact CG2-CZ 4.2Å; L393-F406 HydrophobicContact CD1-CB 3.91Å; L393-F406 HydrophobicContact CD1-CD2 4.01Å; L393-F406 HydrophobicContact CD1-CG 4.47Å; M402-F406 VanDerWaalsContact O-CB 3.24Å; M402-F406 WeakPolarHBondContact O-CB 3.03Å; M402-F406 PolarHBondContact O-N 3.17Å; L403-F406 PolarHBondContact O-N 2.77Å; F406-W409 HydrophobicContact CD2-CE3 4.01Å; F406-W409 AromaticContact CE2-CE3 3.82Å; F406-W409 HydrophobicContact CE2-CE3 3.82Å; F406-W409 AromaticContact CE2-CZ3 3.92Å; F406-W409 HydrophobicContact CE2-CZ3 3.92Å; F406-W409 PolarHBondContact O-N 3.05Å; F406-Q410 WeakPolarHBondContact O-CB 3.06Å; F406-Q410 PolarHBondContact O-N 3.24Å; F406-A438 HydrophobicContact CE1-CB 4.18Å; F406-A438 HydrophobicContact CZ-CB 3.95Å; F406-L440 HydrophobicContact CB-CD2 4.34Å; F406-L440 HydrophobicContact CD1-CB 3.82Å; F406-L440 HydrophobicContact CD2-CB 4.04Å; F406-L440 HydrophobicContact CD2-CD2 4.14Å; F406-L440 HydrophobicContact CD2-CG 4.48Å; F406-L440 HydrophobicContact CE1-CB 3.66Å; F406-L440 HydrophobicContact CE2-CB 3.89Å; F406-L440 HydrophobicContact CE2-CD1 4.38Å; F406-L440 HydrophobicContact CG-CB 4.02Å; F406-L440 HydrophobicContact CG-CD2 4.12Å; F406-L440 HydrophobicContact CZ-CB 3.7Å; F406-C472 HydrophobicContact CD1-CB 3.89Å; F406-C472 HydrophobicContact CE1-CB 4.16Å; F406-I474 HydrophobicContact CB-CD1 4.3Å; F406-I474 HydrophobicContact CD1-CG1 4.25Å
407	C	89.9	Confident	81.3	Confident	5 Å²	5	45.8 Å²	45.8	3%	0.034	21%	0.213	C	C	.	.	H	α-helix	trans	-64	-41.4	172.1	-77.9	0	0	0	0	113.3	L403 E404 H411 Y461 K469 C472	L403-C407 VanDerWaalsContact O-CB 3.27Å; L403-C407 WeakPolarHBondContact O-CB 3.19Å; L403-C407 PolarHBondContact O-N 3.09Å; L403-C407 PolarHBondContact O-SG 3.39Å; L403-C407 VanDerWaalsContact O-SG 3.32Å; E404-C407 PolarHBondContact O-N 3.27Å; C407-H411 VanDerWaalsContact O-CB 3.31Å; C407-H411 WeakPolarHBondContact O-CB 3.3Å; C407-H411 PolarHBondContact O-N 3.18Å; C407-Y461 VanDerWaalsContact SG-CE2 3.54Å; C407-K469 WeakPolarHBondContact CB-O 3.43Å; C407-C472 WeakPolarHBondContact CA-SG 3.13Å; C407-C472 HydrophobicContact CB-CB 4.16Å; C407-C472 WeakPolarHBondContact CB-SG 3.3Å; C407-C472 WeakPolarHBondContact SG-CB 3.3Å; C407-C472 CovalentContact SG-SG 2.02Å; C407-C472 PolarHBondContact SG-SG 3.01Å
408	K	87.3	Confident	79	Confident	87 Å²	87	50.7 Å²	50.7	38%	0.378	24%	0.241	S	C	.	.	H	α-helix	trans	-59.1	-54.2	173.2	176.1	-175.7	171	-74.2	0	110.3	D392 E404 S405 Q410 H411 E412	D392-K408 IonicContact OD1-NZ 3.69Å; D392-K408 PolarHBondContact OD1-NZ 3.37Å; E404-K408 PolarHBondContact O-N 2.83Å; S405-K408 PolarHBondContact O-N 3.15Å; K408-Q410 PolarHBondContact O-N 3.33Å; K408-H411 PolarHBondContact O-N 2.8Å; K408-H411 VanDerWaalsContact O-N 3.12Å; K408-E412 WeakPolarHBondContact CE-OE1 3.26Å; K408-E412 WeakPolarHBondContact CE-OE2 3.4Å; K408-E412 HydrophobicContact CG-CG 4.48Å; K408-E412 WeakPolarHBondContact CG-OE2 3.29Å; K408-E412 VanDerWaalsContact NZ-CD 3.34Å; K408-E412 IonicContact NZ-OE1 2.66Å; K408-E412 PolarHBondContact NZ-OE1 2.92Å; K408-E412 IonicContact NZ-OE2 3.96Å; K408-E412 PolarHBondContact NZ-OE2 3.49Å; K408-E412 WeakPolarHBondContact O-CG 3.35Å; K408-E412 PolarHBondContact O-N 2.83Å
409	W	88	Confident	76.4	Confident	11 Å²	11	56.4 Å²	56.4	4%	0.042	27%	0.273	C	S	.	.	H	α-helix	trans	-58.8	-46.7	-179.9	-179.6	81.5	0	0	0	112	V338 I384 L393 S405 F406 H411 E412 E413 F414	V338-W409 HydrophobicContact CG2-CH2 4.32Å; V338-W409 HydrophobicContact CG2-CZ3 4.01Å; I384-W409 HydrophobicContact CD1-CH2 4.38Å; L393-W409 HydrophobicContact CB-CG 4.49Å; L393-W409 HydrophobicContact CD1-CB 4.3Å; S405-W409 WeakPolarHBondContact O-CB 3.03Å; S405-W409 PolarHBondContact O-N 3.11Å; F406-W409 HydrophobicContact CD2-CE3 4.01Å; F406-W409 AromaticContact CE2-CE3 3.82Å; F406-W409 HydrophobicContact CE2-CE3 3.82Å; F406-W409 AromaticContact CE2-CZ3 3.92Å; F406-W409 HydrophobicContact CE2-CZ3 3.92Å; F406-W409 PolarHBondContact O-N 3.05Å; W409-H411 VanDerWaalsContact C-N 3.31Å; W409-H411 PolarHBondContact O-N 2.89Å; W409-E412 PolarHBondContact O-N 2.81Å; W409-E413 HydrophobicContact CD2-CG 4.2Å; W409-E413 HydrophobicContact CH2-CG 4.36Å; W409-E413 HydrophobicContact CZ2-CG 3.84Å; W409-E413 WeakPolarHBondContact O-CG 2.99Å; W409-E413 PolarHBondContact O-N 2.76Å; W409-F414 HydrophobicContact CH2-CE2 4.2Å; W409-F414 HydrophobicContact CZ3-CE2 4.16Å
410	Q	86.2	Confident	74.1	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-55.4	-44.8	174.1	175.3	-83.3	-81.1	0	0	111.6	F406 K408 F414 A438	F406-Q410 WeakPolarHBondContact O-CB 3.06Å; F406-Q410 PolarHBondContact O-N 3.24Å; K408-Q410 PolarHBondContact O-N 3.33Å; Q410-F414 WeakPolarHBondContact O-CA 3.31Å; Q410-F414 WeakPolarHBondContact O-CB 3.4Å; Q410-F414 PolarHBondContact O-N 2.03Å; Q410-A438 HydrophobicContact CG-CB 3.71Å
411	H	83.4	Confident	71.6	Confident	41 Å²	41	69.5 Å²	69.5	19%	0.19	34%	0.337	C	S	.	.	H	α-helix	trans	-69.4	-36.5	-179.6	179.9	73.5	0	0	0	112.1	C407 K408 W409 G415 E468 K469	C407-H411 VanDerWaalsContact O-CB 3.31Å; C407-H411 WeakPolarHBondContact O-CB 3.3Å; C407-H411 PolarHBondContact O-N 3.18Å; K408-H411 PolarHBondContact O-N 2.8Å; K408-H411 VanDerWaalsContact O-N 3.12Å; W409-H411 VanDerWaalsContact C-N 3.31Å; W409-H411 PolarHBondContact O-N 2.89Å; H411-G415 WeakPolarHBondContact O-CA 3.16Å; H411-G415 PolarHBondContact O-N 2.79Å; H411-E468 PolarHBondContact ND1-O 3.42Å; H411-K469 HydrophobicContact CB-CG 4.49Å; H411-K469 WeakPolarHBondContact NE2-CE 3.19Å
412	E	80.1	Confident	69	Low	72 Å²	72	72.6 Å²	72.6	34%	0.336	36%	0.357	S	S	.	.	H	α-helix	trans	-73.2	-29.8	-179.8	-73.2	170.9	161.6	0	0	113	K408 W409 K416	K408-E412 WeakPolarHBondContact CE-OE1 3.26Å; K408-E412 WeakPolarHBondContact CE-OE2 3.4Å; K408-E412 HydrophobicContact CG-CG 4.48Å; K408-E412 WeakPolarHBondContact CG-OE2 3.29Å; K408-E412 VanDerWaalsContact NZ-CD 3.34Å; K408-E412 IonicContact NZ-OE1 2.66Å; K408-E412 PolarHBondContact NZ-OE1 2.92Å; K408-E412 IonicContact NZ-OE2 3.96Å; K408-E412 PolarHBondContact NZ-OE2 3.49Å; K408-E412 WeakPolarHBondContact O-CG 3.35Å; K408-E412 PolarHBondContact O-N 2.83Å; W409-E412 PolarHBondContact O-N 2.81Å; E412-K416 VanDerWaalsContact O-CE 3.28Å; E412-K416 WeakPolarHBondContact O-CE 2.97Å; E412-K416 PolarHBondContact O-NZ 3.28Å
413	E	75	Confident	66.2	Low	44 Å²	44	80.3 Å²	80.3	21%	0.206	39%	0.393	C	S	.	.	H	α-helix	trans	-83.5	-56.9	171.3	-64.4	-103	161.2	0	0	111.8	R202 W409 M432	R202-E413 IonicContact CZ-OE1 2.72Å; R202-E413 IonicContact CZ-OE2 2.68Å; R202-E413 VanDerWaalsContact NH1-CD 3.3Å; R202-E413 IonicContact NH1-OE1 2.61Å; R202-E413 PolarHBondContact NH1-OE1 2.89Å; R202-E413 IonicContact NH1-OE2 2.79Å; R202-E413 PolarHBondContact NH1-OE2 2.92Å; R202-E413 VanDerWaalsContact NH1-OE2 3.16Å; R202-E413 IonicContact NH2-OE1 2.98Å; R202-E413 IonicContact NH2-OE2 2.9Å; R202-E413 PolarHBondContact NH2-OE2 2.93Å; W409-E413 HydrophobicContact CD2-CG 4.2Å; W409-E413 HydrophobicContact CH2-CG 4.36Å; W409-E413 HydrophobicContact CZ2-CG 3.84Å; W409-E413 WeakPolarHBondContact O-CG 2.99Å; W409-E413 PolarHBondContact O-N 2.76Å; E413-M432 HydrophobicContact CB-CE 3.98Å; E413-M432 VanDerWaalsContact O-CE 3.25Å; E413-M432 WeakPolarHBondContact O-CE 3.28Å; E413-M432 VanDerWaalsContact O-SD 3.36Å
414	F	72.8	Confident	63.5	Low	12 Å²	12	88.3 Å²	88.3	5%	0.053	43%	0.433	C	S	.	.	H	α-helix	trans	-110	16.1	-165.8	-52.9	-79.9	0	0	0	115	V336 I384 W409 Q410 M432 V435	V336-F414 HydrophobicContact CG1-CE2 4.5Å; V336-F414 HydrophobicContact CG1-CZ 4.28Å; V336-F414 HydrophobicContact CG2-CE1 4.41Å; I384-F414 HydrophobicContact CD1-CE2 4.5Å; I384-F414 HydrophobicContact CD1-CZ 3.88Å; W409-F414 HydrophobicContact CH2-CE2 4.2Å; W409-F414 HydrophobicContact CZ3-CE2 4.16Å; Q410-F414 WeakPolarHBondContact O-CA 3.31Å; Q410-F414 WeakPolarHBondContact O-CB 3.4Å; Q410-F414 PolarHBondContact O-N 2.03Å; F414-M432 HydrophobicContact CD1-CE 3.73Å; F414-M432 HydrophobicContact CE1-CE 3.54Å; F414-M432 HydrophobicContact CG-CE 4.4Å; F414-M432 HydrophobicContact CZ-CE 4.09Å; F414-V435 HydrophobicContact CB-CG1 4.07Å; F414-V435 HydrophobicContact CB-CG2 4.23Å; F414-V435 HydrophobicContact CD1-CG1 4Å; F414-V435 HydrophobicContact CG-CG1 4.16Å
415	G	57.7	Low	60.5	Low	19 Å²	19	88.7 Å²	88.7	20%	0.196	45%	0.447	C	S	.	.			trans	-118.5	-11.7	-173.9	0	0	0	0	0	116.7	H411 K417	H411-G415 WeakPolarHBondContact O-CA 3.16Å; H411-G415 PolarHBondContact O-N 2.79Å; G415-K417 PolarHBondContact O-N 2.88Å
416	K	55	Low	57.7	Low	141 Å²	141	94.3 Å²	94.3	61%	0.613	48%	0.481	S	S	*	.			trans	-82.6	117.5	-174.1	-68.6	167.8	-177.2	148	0	112	E412	E412-K416 VanDerWaalsContact O-CE 3.28Å; E412-K416 WeakPolarHBondContact O-CE 2.97Å; E412-K416 PolarHBondContact O-NZ 3.28Å
417	K	47.6	Very low	54.6	Low	168 Å²	168	99.4 Å²	99.4	73%	0.73	52%	0.517	S	S	*	.			trans	-93.5	129.8	160	-74.3	177.4	178.3	169.5	0	108.9	G415 D419	G415-K417 PolarHBondContact O-N 2.88Å; K417-D419 PolarHBondContact O-N 2.85Å
418	N	36.2	Very low	52	Low	154 Å²	154	111.6 Å²	111.6	82%	0.824	56%	0.562	S	S	*	*			trans	-81.7	77.8	-178.2	-72.6	-17.2	0	0	0	111.8	I420	N418-I420 PolarHBondContact O-N 2.87Å
419	D	34	Very low	49.1	Very low	143 Å²	143	111 Å²	111	77%	0.765	58%	0.58	S	S	*	*			trans	-76.7	100.8	163.8	-91.8	-42	0	0	0	110.5	K417	K417-D419 PolarHBondContact O-N 2.85Å
420	I	36.3	Very low	46.6	Very low	145 Å²	145	118 Å²	118	74%	0.744	61%	0.613	S	S	*	*	S	Bend	trans	63.9	104	149.1	-50.7	172.3	0	0	0	117.5	N418	N418-I420 PolarHBondContact O-N 2.87Å
421	H	34	Very low	44.1	Very low	182 Å²	182	125.8 Å²	125.8	84%	0.843	66%	0.655	S	S	*	*			trans	50.1	103.8	149.3	-104.3	-91.6	0	0	0	119.6
422	L	30.7	Very low	42.2	Very low	165 Å²	165	128 Å²	128	86%	0.864	67%	0.667	S	S	*	*				-150.1	169.6	124.9	-154.2	52.3	0	0	0	111
423	E	31.9	Very low	40.8	Very low	161 Å²	161	127.7 Å²	127.7	75%	0.752	67%	0.67	S	S	*	*			trans	-90.9	165.5	-159.4	-57.9	172.1	112.4	0	0	115.3
424	M	34.9	Very low	40.3	Very low	174 Å²	174	129.2 Å²	129.2	86%	0.857	69%	0.685	S	S	*	*			trans	61.2	71.7	148.2	-155.7	78.9	77.6	0	0	117.9
425	S	24.9	Very low	40.4	Very low	117 Å²	117	128.8 Å²	128.8	82%	0.818	68%	0.684	S	S	*	*			trans	-135.5	125.4	147.4	62.5	0	0	0	0	111.1	S427	S425-S427 PolarHBondContact O-N 2.02Å
426	T	33.3	Very low	41.7	Very low	140 Å²	140	128.6 Å²	128.6	86%	0.859	68%	0.678	S	S	*	*			trans	-96.4	78.8	-174.8	52.3	0	0	0	0	110.9
427	S	27	Very low	43.3	Very low	107 Å²	107	121.9 Å²	121.9	75%	0.748	65%	0.649	S	S	*	*			trans	-148	156.7	164.5	-162.2	0	0	0	0	112	S425	S425-S427 PolarHBondContact O-N 2.02Å
428	W	35.9	Very low	45.3	Very low	261 Å²	261	114 Å²	114	99%	0.989	62%	0.615	S	S	*	*			trans	-72.9	131.8	-177.7	-60.5	70.8	0	0	0	110.4
429	G	26.5	Very low	48	Very low	74 Å²	74	106.6 Å²	106.6	76%	0.763	58%	0.576	S	S	*	*			trans	-140.9	135.1	172.1	0	0	0	0	0	110.3
430	E	34.3	Very low	50.9	Low	157 Å²	157	99.8 Å²	99.8	73%	0.734	54%	0.539	S	S	*	.			trans	-77.8	149.3	171.8	-54.9	-172.9	123.2	0	0	109.8	M432	E430-M432 WeakPolarHBondContact O-CG 3.28Å; E430-M432 PolarHBondContact O-N 2.92Å
431	D	35.4	Very low	53.6	Low	165 Å²	165	92.9 Å²	92.9	88%	0.882	50%	0.504	S	S	*	.			trans	-67.7	95	171.7	-76.4	-53.3	0	0	0	110.1	T433	D431-T433 PolarHBondContact O-N 3.21Å
432	M	41.9	Very low	56.3	Low	87 Å²	87	84.2 Å²	84.2	43%	0.429	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-73.9	119.5	-172.9	-63.7	-177.5	75.1	0	0	112.1	E413 F414 E430	E413-M432 HydrophobicContact CB-CE 3.98Å; E413-M432 VanDerWaalsContact O-CE 3.25Å; E413-M432 WeakPolarHBondContact O-CE 3.28Å; E413-M432 VanDerWaalsContact O-SD 3.36Å; F414-M432 HydrophobicContact CD1-CE 3.73Å; F414-M432 HydrophobicContact CE1-CE 3.54Å; F414-M432 HydrophobicContact CG-CE 4.4Å; F414-M432 HydrophobicContact CZ-CE 4.09Å; E430-M432 WeakPolarHBondContact O-CG 3.28Å; E430-M432 PolarHBondContact O-N 2.92Å
433	T	52.6	Low	58.9	Low	65 Å²	65	78.3 Å²	78.3	40%	0.399	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-74	131.5	176.4	50.9	0	0	0	0	111.5	D431	D431-T433 PolarHBondContact O-N 3.21Å
434	S	63.8	Low	61.4	Low	76 Å²	76	73.9 Å²	73.9	53%	0.531	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-64	131.9	172.6	56.5	0	0	0	0	111.6
435	V	74.9	Confident	63.7	Low	4 Å²	4	68.3 Å²	68.3	2%	0.024	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-100.7	157.9	-175.5	-44.5	0	0	0	0	111.6	V336 I381 F414 K471	V336-V435 HydrophobicContact CG2-CB 4.42Å; V336-V435 HydrophobicContact CG2-CG1 3.68Å; I381-V435 HydrophobicContact CD1-CB 4.21Å; I381-V435 HydrophobicContact CD1-CG1 3.7Å; F414-V435 HydrophobicContact CB-CG1 4.07Å; F414-V435 HydrophobicContact CB-CG2 4.23Å; F414-V435 HydrophobicContact CD1-CG1 4Å; F414-V435 HydrophobicContact CG-CG1 4.16Å; V435-K471 HydrophobicContact CG2-CD 4.39Å; V435-K471 VanDerWaalsContact O-CD 3.29Å; V435-K471 WeakPolarHBondContact O-CD 3.12Å; V435-K471 WeakPolarHBondContact O-CE 3.3Å; V435-K471 PolarHBondContact O-NZ 2.03Å
436	D	84.1	Confident	66.5	Low	15 Å²	15	62.8 Å²	62.8	8%	0.08	34%	0.343	C	S	.	.	S	Bend	trans	-84.8	-36.9	179.6	-63.6	-28.9	0	0	0	112.4	I333 E334 M465 C466 K471 C546 L547	I333-D436 HydrophobicContact CG2-CB 4.16Å; E334-D436 PolarHBondContact N-OD2 3.39Å; E334-D436 PolarHBondContact O-N 2.8Å; D436-M465 HydrophobicContact CB-SD 4.22Å; D436-C466 PolarHBondContact O-N 3.03Å; D436-C466 VanDerWaalsContact O-N 3.14Å; D436-K471 VanDerWaalsContact O-CB 3.26Å; D436-K471 WeakPolarHBondContact O-CB 3.32Å; D436-K471 WeakPolarHBondContact O-CD 3.47Å; D436-C546 VanDerWaalsContact CG-SG 3.51Å; D436-C546 WeakPolarHBondContact OD1-CB 3.1Å; D436-C546 PolarHBondContact OD1-SG 2.69Å; D436-L547 HydrophobicContact CB-CD2 4.02Å
437	A	88.8	Confident	68.9	Low	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	158.5	169.8	0	0	0	0	0	112.9	I333 T335 V336 M465 K471 M490	I333-A437 HydrophobicContact CG2-CB 4.49Å; T335-A437 VanDerWaalsContact CA-O 3.22Å; T335-A437 WeakPolarHBondContact CA-O 3.41Å; T335-A437 WeakPolarHBondContact CB-O 3.02Å; T335-A437 PolarHBondContact OG1-O 3.15Å; V336-A437 PolarHBondContact N-O 2.82Å; A437-M465 HydrophobicContact CB-CE 3.75Å; A437-M465 HydrophobicContact CB-SD 3.69Å; A437-K471 CarbonylContact C-O 3.53Å; A437-K471 WeakPolarHBondContact CA-O 3.3Å; A437-K471 HydrophobicContact CB-CB 4.48Å; A437-M490 HydrophobicContact CB-CE 4.49Å
438	A	89.9	Confident	71.3	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.008	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	140.9	171.6	0	0	0	0	0	111.8	V336 F406 Q410 K471 C472 I473	V336-A438 CarbonylContact O-C 3.57Å; V336-A438 VanDerWaalsContact O-CA 3.26Å; V336-A438 WeakPolarHBondContact O-CA 3.2Å; F406-A438 HydrophobicContact CE1-CB 4.18Å; F406-A438 HydrophobicContact CZ-CB 3.95Å; Q410-A438 HydrophobicContact CG-CB 3.71Å; A438-K471 PolarHBondContact N-O 3.31Å; A438-C472 WeakPolarHBondContact O-CA 3.45Å; A438-I473 PolarHBondContact O-N 3.14Å
439	I	93.5	Very high	73.3	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.3	180	-58.8	159.5	0	0	0	109	V336 V337 V338 L360 I441 I473 I486 M490	V336-I439 PolarHBondContact O-N 2.95Å; V337-I439 CarbonylContact C-O 3.41Å; V337-I439 WeakPolarHBondContact CA-O 3.48Å; V337-I439 HydrophobicContact CG1-CB 4.39Å; V337-I439 HydrophobicContact CG2-CB 4.26Å; V337-I439 HydrophobicContact CG2-CD1 4.07Å; V338-I439 PolarHBondContact N-O 3Å; L360-I439 HydrophobicContact CD2-CD1 4.19Å; I439-I441 HydrophobicContact CG2-CG1 3.98Å; I439-I473 CarbonylContact C-O 3.58Å; I439-I473 WeakPolarHBondContact CA-O 3.44Å; I439-I473 HydrophobicContact CG1-CB 4.11Å; I439-I473 HydrophobicContact CG1-CD1 4.1Å; I439-I473 HydrophobicContact CG1-CG2 4.23Å; I439-I473 HydrophobicContact CG2-CG2 4.24Å; I439-I486 HydrophobicContact CD1-CG2 3.75Å; I439-I486 HydrophobicContact CG2-CD1 4.24Å; I439-I486 HydrophobicContact CG2-CG1 4.29Å; I439-M490 HydrophobicContact CD1-CE 3.91Å; I439-M490 HydrophobicContact CG1-CE 4.36Å
440	L	93.9	Very high	75.8	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	125.6	164.4	-178.9	63.8	0	0	0	108.8	V338 D340 I395 M402 F406 I473 I474 A475	V338-L440 HydrophobicContact CB-CD1 4.03Å; V338-L440 HydrophobicContact CG1-CD1 3.92Å; D340-L440 HydrophobicContact CB-CD1 4.23Å; I395-L440 HydrophobicContact CD1-CD2 4.4Å; M402-L440 HydrophobicContact CG-CD2 4.37Å; M402-L440 HydrophobicContact SD-CD2 4.06Å; F406-L440 HydrophobicContact CB-CD2 4.34Å; F406-L440 HydrophobicContact CD1-CB 3.82Å; F406-L440 HydrophobicContact CD2-CB 4.04Å; F406-L440 HydrophobicContact CD2-CD2 4.14Å; F406-L440 HydrophobicContact CD2-CG 4.48Å; F406-L440 HydrophobicContact CE1-CB 3.66Å; F406-L440 HydrophobicContact CE2-CB 3.89Å; F406-L440 HydrophobicContact CE2-CD1 4.38Å; F406-L440 HydrophobicContact CG-CB 4.02Å; F406-L440 HydrophobicContact CG-CD2 4.12Å; F406-L440 HydrophobicContact CZ-CB 3.7Å; L440-I473 PolarHBondContact N-O 3.49Å; L440-I474 HydrophobicContact CB-CG1 4.22Å; L440-I474 HydrophobicContact CD2-CD1 4.3Å; L440-I474 HydrophobicContact CD2-CG1 4.42Å; L440-I474 WeakPolarHBondContact O-CA 3.47Å; L440-A475 PolarHBondContact O-N 2.98Å
441	I	93.5	Very high	77.9	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	124.3	171.1	-55.3	173.7	0	0	0	107	V337 V338 D340 M343 I356 I439 A475 D477 L482 I486	V337-I441 HydrophobicContact CG1-CD1 3.58Å; V337-I441 HydrophobicContact CG1-CG1 4.09Å; V338-I441 PolarHBondContact O-N 2.87Å; D340-I441 PolarHBondContact N-O 3.48Å; D340-I441 VanDerWaalsContact N-O 3.1Å; M343-I441 HydrophobicContact CE-CG2 3.8Å; M343-I441 HydrophobicContact CG-CG2 4.01Å; M343-I441 WeakPolarHBondContact CG-O 3.48Å; M343-I441 HydrophobicContact SD-CG2 3.89Å; I356-I441 HydrophobicContact CB-CD1 4.38Å; I356-I441 HydrophobicContact CD1-CD1 4.17Å; I356-I441 HydrophobicContact CG1-CD1 3.87Å; I356-I441 HydrophobicContact CG2-CD1 3.74Å; I439-I441 HydrophobicContact CG2-CG1 3.98Å; I441-A475 WeakPolarHBondContact CA-O 3.33Å; I441-D477 HydrophobicContact CG2-CB 4.3Å; I441-L482 HydrophobicContact CD1-CD2 4.32Å; I441-L482 HydrophobicContact CG2-CD1 4.34Å; I441-L482 HydrophobicContact CG2-CD2 3.67Å; I441-I486 HydrophobicContact CD1-CD1 3.99Å; I441-I486 HydrophobicContact CG1-CD1 4.22Å
442	T	90.4	Very high	79.7	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	147.7	-178.7	-178.5	0	0	0	0	111.9	D340 M402 K444 F446 I474 A475 E476 D477	D340-T442 VanDerWaalsContact CG-OG1 3.26Å; D340-T442 WeakPolarHBondContact OD1-CA 3.35Å; D340-T442 WeakPolarHBondContact OD2-CB 3.19Å; D340-T442 PolarHBondContact OD2-OG1 3.41Å; M402-T442 HydrophobicContact CE-CG2 4.5Å; M402-T442 HydrophobicContact SD-CG2 4.23Å; T442-K444 VanDerWaalsContact C-N 3.26Å; T442-K444 HydrophobicContact CG2-CB 4.32Å; T442-K444 WeakPolarHBondContact OG1-CB 3.44Å; T442-K444 PolarHBondContact OG1-N 2.99Å; T442-F446 HydrophobicContact CG2-CD1 4.26Å; T442-F446 HydrophobicContact CG2-CE1 4.24Å; T442-I474 HydrophobicContact CG2-CG2 4.33Å; T442-A475 PolarHBondContact N-O 3.45Å; T442-A475 VanDerWaalsContact N-O 3.07Å; T442-E476 CarbonylContact O-C 3.5Å; T442-E476 WeakPolarHBondContact O-CA 3.3Å; T442-D477 PolarHBondContact O-N 2.82Å
443	R	85.7	Confident	81	Confident	41 Å²	41	39.5 Å²	39.5	16%	0.155	21%	0.21	C	C	.	.	S	Bend	trans	-89.3	10.6	167.2	-108.4	-61	-145.3	-118.4	-9.6	112.8	A342 M343 Y346 D477 I577	A342-R443 HydrophobicContact CB-CB 3.64Å; M343-R443 HydrophobicContact SD-CB 4.33Å; M343-R443 HydrophobicContact SD-CG 3.85Å; Y346-R443 HydrophobicContact CG-CG 4.35Å; Y346-R443 PolarHBondContact OH-NH2 3.32Å; Y346-R443 VanDerWaalsContact OH-NH2 3.13Å; R443-D477 HydrophobicContact CG-CB 4.17Å; R443-D477 IonicContact CZ-OD2 3.79Å; R443-D477 IonicContact NE-OD2 2.75Å; R443-D477 PolarHBondContact NE-OD2 2.93Å; R443-D477 PolarHBondContact NH1-O 3.11Å; R443-D477 IonicContact NH1-OD1 2.68Å; R443-D477 PolarHBondContact NH1-OD1 2.98Å; R443-D477 IonicContact NH1-OD2 2.76Å; R443-D477 PolarHBondContact NH1-OD2 3.36Å; R443-D477 IonicContact NH2-OD2 3.16Å; R443-I577 PolarHBondContact NH2-O 3.39Å
444	K	85	Confident	82.1	Confident	67 Å²	67	38.3 Å²	38.3	29%	0.291	20%	0.204	S	C	.	.			trans	-92.7	106.2	179.9	-172.3	67.3	-178.6	174.4	0	110.2	I395 G396 H397 T442 F446	I395-K444 HydrophobicContact CG2-CB 4.21Å; I395-K444 HydrophobicContact CG2-CG 4.37Å; G396-K444 WeakPolarHBondContact O-CG 3.07Å; H397-K444 PolarHBondContact CD2-NZ 2.87Å; H397-K444 VanDerWaalsContact CE1-CE 3.45Å; H397-K444 WeakPolarHBondContact CE1-CE 3.4Å; H397-K444 PolarHBondContact CE1-NZ 3.25Å; H397-K444 WeakPolarHBondContact NE2-CE 3.35Å; H397-K444 PolarHBondContact NE2-NZ 3.08Å; T442-K444 VanDerWaalsContact C-N 3.26Å; T442-K444 HydrophobicContact CG2-CB 4.32Å; T442-K444 WeakPolarHBondContact OG1-CB 3.44Å; T442-K444 PolarHBondContact OG1-N 2.99Å; K444-F446 WeakPolarHBondContact O-CD1 3.46Å; K444-F446 PolarHBondContact O-N 3.27Å
445	D	81.6	Confident	82.2	Confident	58 Å²	58	41.8 Å²	41.8	31%	0.31	22%	0.216	S	C	.	.			trans	-47.6	124.9	162.5	178.2	-25.2	0	0	0	110	H397 P453 C454	H397-D445 PolarHBondContact ND1-O 3.48Å; D445-P453 HydrophobicContact CB-CB 4.33Å; D445-P453 WeakPolarHBondContact OD1-CA 3.47Å; D445-P453 WeakPolarHBondContact OD1-CB 3.05Å; D445-P453 WeakPolarHBondContact OD2-CB 3.36Å; D445-C454 PolarHBondContact OD1-N 3.39Å
446	F	85.4	Confident	82.4	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.223	C	C	.	.			trans	-138.5	160.2	-177.7	67.8	-101.1	0	0	0	111.6	H397 M402 T442 K444 T456 I459 I474 E476	H397-F446 CarbonylContact O-C 3.57Å; H397-F446 VanDerWaalsContact O-CA 3.24Å; H397-F446 WeakPolarHBondContact O-CA 3.49Å; H397-F446 WeakPolarHBondContact O-CB 3.38Å; M402-F446 HydrophobicContact CE-CB 3.91Å; M402-F446 HydrophobicContact CE-CD1 3.88Å; M402-F446 HydrophobicContact CE-CG 4.06Å; T442-F446 HydrophobicContact CG2-CD1 4.26Å; T442-F446 HydrophobicContact CG2-CE1 4.24Å; K444-F446 WeakPolarHBondContact O-CD1 3.46Å; K444-F446 PolarHBondContact O-N 3.27Å; F446-T456 HydrophobicContact CD2-CG2 4.2Å; F446-T456 HydrophobicContact CE2-CG2 3.75Å; F446-T456 WeakPolarHBondContact O-CB 3.45Å; F446-I459 HydrophobicContact CE2-CB 4.24Å; F446-I459 HydrophobicContact CE2-CG2 3.76Å; F446-I459 HydrophobicContact CZ-CG2 4.06Å; F446-I474 HydrophobicContact CD1-CG2 4.47Å; F446-I474 HydrophobicContact CE1-CG2 3.65Å; F446-I474 HydrophobicContact CZ-CG2 3.83Å; F446-E476 HydrophobicContact CE1-CB 4.17Å
447	C	81.9	Confident	82.3	Confident	16 Å²	16	43.6 Å²	43.6	11%	0.108	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-130.9	139.1	177	-157	0	0	0	0	110.6	H397 G399 H449 K450 E452 C454	H397-C447 PolarHBondContact O-N 3.39Å; G399-C447 PolarHBondContact N-O 2.88Å; C447-H449 PolarHBondContact O-N 2.81Å; C447-K450 HydrophobicContact CB-CB 4.41Å; C447-K450 PolarHBondContact O-N 2.95Å; C447-E452 WeakPolarHBondContact CB-O 3.31Å; C447-C454 VanDerWaalsContact CA-SG 3.5Å; C447-C454 HydrophobicContact CB-CB 3.75Å; C447-C454 WeakPolarHBondContact CB-SG 3.37Å; C447-C454 WeakPolarHBondContact SG-CB 3.36Å; C447-C454 CovalentContact SG-SG 2.04Å; C447-C454 PolarHBondContact SG-SG 3.16Å
448	V	78.9	Confident	82.2	Confident	44 Å²	44	44 Å²	44	27%	0.267	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.3	-56.9	-167.3	-171.6	0	0	0	0	113.1	E400 T456 I459	E400-V448 WeakPolarHBondContact CB-O 3.28Å; E400-V448 PolarHBondContact N-O 3.18Å; V448-T456 HydrophobicContact CG2-CG2 3.55Å; V448-I459 HydrophobicContact CG1-CD1 3.91Å
449	H	77.1	Confident	82.2	Confident	74 Å²	74	45.1 Å²	45.1	34%	0.343	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	16.2	-171.6	-56.7	-61.9	0	0	0	114.1	I303 H398 E400 C447	I303-H449 WeakPolarHBondContact CD1-CE1 3.49Å; H398-H449 PolarHBondContact CE1-O 3.02Å; H398-H449 VanDerWaalsContact CE1-O 3.26Å; E400-H449 IonicContact OE2-CE1 2.69Å; E400-H449 PolarHBondContact OE2-CE1 2.84Å; E400-H449 IonicContact OE2-CG 3.09Å; E400-H449 IonicContact OE2-ND1 2.65Å; E400-H449 PolarHBondContact OE2-ND1 2.99Å; C447-H449 PolarHBondContact O-N 2.81Å
450	K	78.6	Confident	82.1	Confident	106 Å²	106	45.9 Å²	45.9	46%	0.461	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-139.9	146.7	-175	-62.8	-170.7	-173.9	-177.2	0	111.5	H397 H398 C447 E452	H397-K450 CarbonylContact C-O 3.6Å; H397-K450 VanDerWaalsContact O-O 3.06Å; H398-K450 WeakPolarHBondContact CA-O 3.48Å; C447-K450 HydrophobicContact CB-CB 4.41Å; C447-K450 PolarHBondContact O-N 2.95Å; K450-E452 HydrophobicContact CB-CG 3.87Å; K450-E452 HydrophobicContact CD-CG 3.76Å; K450-E452 WeakPolarHBondContact CD-OE1 3.38Å; K450-E452 WeakPolarHBondContact CD-OE2 3.48Å; K450-E452 WeakPolarHBondContact CE-OE1 3.01Å; K450-E452 IonicContact NZ-OE1 3.98Å; K450-E452 PolarHBondContact NZ-OE1 2.98Å; K450-E452 IonicContact NZ-OE2 3.92Å; K450-E452 PolarHBondContact NZ-OE2 2.79Å; K450-E452 PolarHBondContact O-N 3.3Å
451	D	78.3	Confident	81.9	Confident	101 Å²	101	48.4 Å²	48.4	54%	0.54	25%	0.254	S	S	.	.	S	Bend	trans	-90.1	50	173	-152.6	20.5	0	0	0	110.3	Y394 H397 H398	Y394-D451 PolarHBondContact OH-OD1 3.36Å; Y394-D451 VanDerWaalsContact OH-OD1 3.11Å; H397-D451 WeakPolarHBondContact CA-OD1 3.2Å; H397-D451 WeakPolarHBondContact CB-OD1 3.33Å; H397-D451 PolarHBondContact N-OD1 3.22Å; H398-D451 HydrophobicContact CB-CB 4.02Å; H398-D451 PolarHBondContact N-OD1 3.18Å; H398-D451 VanDerWaalsContact N-OD1 3.1Å; H398-D451 PolarHBondContact ND1-N 3.29Å
452	E	74.2	Confident	81.6	Confident	87 Å²	87	52.6 Å²	52.6	41%	0.407	28%	0.276	S	S	.	.	S	Bend	trans	-134.5	150.2	175.7	78.4	-172.3	-157.7	0	0	108.8	C447 K450	C447-E452 WeakPolarHBondContact CB-O 3.31Å; K450-E452 HydrophobicContact CB-CG 3.87Å; K450-E452 HydrophobicContact CD-CG 3.76Å; K450-E452 WeakPolarHBondContact CD-OE1 3.38Å; K450-E452 WeakPolarHBondContact CD-OE2 3.48Å; K450-E452 WeakPolarHBondContact CE-OE1 3.01Å; K450-E452 IonicContact NZ-OE1 3.98Å; K450-E452 PolarHBondContact NZ-OE1 2.98Å; K450-E452 IonicContact NZ-OE2 3.92Å; K450-E452 PolarHBondContact NZ-OE2 2.79Å; K450-E452 PolarHBondContact O-N 3.3Å
453	P	69.8	Low	81.4	Confident	74 Å²	74	55.2 Å²	55.2	48%	0.481	29%	0.294	S	S	.	.			trans	-66.8	142.7	174.7	26.1	-34	0	0	0	112.8	D445	D445-P453 HydrophobicContact CB-CB 4.33Å; D445-P453 WeakPolarHBondContact OD1-CA 3.47Å; D445-P453 WeakPolarHBondContact OD1-CB 3.05Å; D445-P453 WeakPolarHBondContact OD2-CB 3.36Å
454	C	73.9	Confident	81.4	Confident	40 Å²	40	53.4 Å²	53.4	27%	0.27	29%	0.288	S	S	.	.			trans	-162.4	172.3	175.1	89.2	0	0	0	0	112.4	D445 C447 T456	D445-C454 PolarHBondContact OD1-N 3.39Å; C447-C454 VanDerWaalsContact CA-SG 3.5Å; C447-C454 HydrophobicContact CB-CB 3.75Å; C447-C454 WeakPolarHBondContact CB-SG 3.37Å; C447-C454 WeakPolarHBondContact SG-CB 3.36Å; C447-C454 CovalentContact SG-SG 2.04Å; C447-C454 PolarHBondContact SG-SG 3.16Å; C454-T456 PolarHBondContact O-N 2.61Å; C454-T456 PolarHBondContact SG-OG1 3.43Å
455	D	67.1	Low	81.5	Confident	149 Å²	149	50.2 Å²	50.2	80%	0.797	27%	0.274	S	S	*	.	S	Bend	trans	-66.1	25.2	-176.7	-63.2	-71.2	0	0	0	115.9	V457	D455-V457 PolarHBondContact O-N 2.6Å
456	T	78.3	Confident	81.5	Confident	27 Å²	27	48.9 Å²	48.9	17%	0.166	27%	0.269	C	S	.	.			trans	-88.3	90.8	178.1	-53.9	0	0	0	0	111	F446 V448 C454 G458	F446-T456 HydrophobicContact CD2-CG2 4.2Å; F446-T456 HydrophobicContact CE2-CG2 3.75Å; F446-T456 WeakPolarHBondContact O-CB 3.45Å; V448-T456 HydrophobicContact CG2-CG2 3.55Å; C454-T456 PolarHBondContact O-N 2.61Å; C454-T456 PolarHBondContact SG-OG1 3.43Å; T456-G458 VanDerWaalsContact C-N 3.31Å; T456-G458 VanDerWaalsContact CG2-O 3.32Å; T456-G458 WeakPolarHBondContact CG2-O 3.29Å; T456-G458 PolarHBondContact O-N 3.03Å
457	V	81.9	Confident	81.5	Confident	31 Å²	31	51 Å²	51	19%	0.188	28%	0.284	C	S	.	.			trans	-74.1	-13.7	-179.3	-63.4	0	0	0	0	114.8	D455 E476 T485 W516	D455-V457 PolarHBondContact O-N 2.6Å; V457-E476 WeakPolarHBondContact O-CB 3.2Å; V457-E476 PolarHBondContact O-N 3.1Å; V457-T485 HydrophobicContact CB-CG2 4.35Å; V457-T485 HydrophobicContact CG2-CG2 4.19Å; V457-T485 WeakPolarHBondContact O-CG2 3.45Å; V457-W516 HydrophobicContact CG2-CD2 4.38Å; V457-W516 HydrophobicContact CG2-CE3 3.74Å; V457-W516 HydrophobicContact CG2-CH2 4.31Å; V457-W516 HydrophobicContact CG2-CZ3 3.72Å
458	G	87.2	Confident	81.3	Confident	9 Å²	9	56 Å²	56	9%	0.093	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	157.1	-173.3	0	0	0	0	0	113.7	T456 I474 E489	T456-G458 VanDerWaalsContact C-N 3.31Å; T456-G458 VanDerWaalsContact CG2-O 3.32Å; T456-G458 WeakPolarHBondContact CG2-O 3.29Å; T456-G458 PolarHBondContact O-N 3.03Å; G458-I474 WeakPolarHBondContact CA-O 3.18Å; G458-E489 VanDerWaalsContact C-CD 3.49Å; G458-E489 VanDerWaalsContact C-OE1 3.26Å
459	I	89.1	Confident	81.3	Confident	23 Å²	23	60 Å²	60	12%	0.118	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	134.8	168.3	-166	-176.3	0	0	0	112.6	L403 F446 V448 I474 E489	L403-I459 HydrophobicContact CB-CG2 4.39Å; L403-I459 HydrophobicContact CD2-CD1 4.07Å; L403-I459 HydrophobicContact CD2-CG1 4.06Å; F446-I459 HydrophobicContact CE2-CB 4.24Å; F446-I459 HydrophobicContact CE2-CG2 3.76Å; F446-I459 HydrophobicContact CZ-CG2 4.06Å; V448-I459 HydrophobicContact CG1-CD1 3.91Å; I459-I474 HydrophobicContact CG2-CB 3.91Å; I459-I474 HydrophobicContact CG2-CD1 4.47Å; I459-I474 HydrophobicContact CG2-CG1 4.47Å; I459-I474 PolarHBondContact N-O 2.75Å; I459-I474 PolarHBondContact O-N 3.09Å; I459-E489 VanDerWaalsContact CA-OE2 3.27Å; I459-E489 WeakPolarHBondContact CA-OE2 3.29Å; I459-E489 VanDerWaalsContact N-CD 3.31Å
460	A	92	Very high	81.7	Confident	16 Å²	16	63.3 Å²	63.3	13%	0.132	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	161.9	170.9	0	0	0	0	0	112.9	I473 E489 H492 N493	A460-I473 HydrophobicContact CB-CB 4.38Å; A460-I473 HydrophobicContact CB-CG1 3.84Å; A460-E489 HydrophobicContact CB-CB 3.95Å; A460-E489 WeakPolarHBondContact CB-O 3.37Å; A460-E489 PolarHBondContact N-OE2 3.07Å; A460-H492 HydrophobicContact CB-CB 4.46Å; A460-N493 HydrophobicContact CB-CB 4.49Å
461	Y	90.3	Very high	82.2	Confident	54 Å²	54	58.8 Å²	58.8	21%	0.212	31%	0.309	C	S	.	.			trans	-78.6	129.6	173.1	-73.9	-61.2	0	0	0	112.3	L403 E404 C407 S463 G464 R470 N493	L403-Y461 HydrophobicContact CD2-CD1 4.19Å; L403-Y461 HydrophobicContact CD2-CD2 3.96Å; L403-Y461 HydrophobicContact CD2-CE1 4.06Å; L403-Y461 HydrophobicContact CD2-CE2 3.86Å; L403-Y461 HydrophobicContact CD2-CG 4.13Å; L403-Y461 HydrophobicContact CG-CD2 4.2Å; L403-Y461 HydrophobicContact CG-CE2 3.85Å; E404-Y461 WeakPolarHBondContact CG-OH 3.48Å; C407-Y461 VanDerWaalsContact SG-CE2 3.54Å; Y461-S463 PolarHBondContact O-N 3.39Å; Y461-G464 PolarHBondContact O-N 2.68Å; Y461-G464 VanDerWaalsContact O-N 3.08Å; Y461-R470 HydrophobicContact CD2-CB 3.7Å; Y461-R470 HydrophobicContact CD2-CG 3.74Å; Y461-R470 HydrophobicContact CE2-CB 4.42Å; Y461-R470 HydrophobicContact CE2-CG 4.03Å; Y461-R470 HydrophobicContact CG-CB 4.12Å; Y461-R470 HydrophobicContact CG-CG 4.18Å; Y461-N493 WeakPolarHBondContact O-CA 3.47Å; Y461-N493 PolarHBondContact O-ND2 3Å
462	L	87.8	Confident	82.8	Confident	88 Å²	88	54 Å²	54	46%	0.461	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	128	172.5	-171.1	73	0	0	0	111.6	G464 H492 I496 N497	L462-G464 PolarHBondContact O-N 3.2Å; L462-H492 CarbonylContact C-O 3.53Å; L462-H492 VanDerWaalsContact CA-O 3.24Å; L462-H492 WeakPolarHBondContact CA-O 3.47Å; L462-I496 VanDerWaalsContact CD1-O 3.26Å; L462-I496 WeakPolarHBondContact CD1-O 3.31Å; L462-N497 WeakPolarHBondContact CD2-OD1 3.03Å
463	S	85.5	Confident	83.8	Confident	55 Å²	55	49.8 Å²	49.8	39%	0.385	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	26.8	-175.5	-53.8	0	0	0	0	114.5	Y461 H492 N493 G495	Y461-S463 PolarHBondContact O-N 3.39Å; S463-H492 PolarHBondContact N-O 2.92Å; S463-N493 CarbonylContact C-O 3.55Å; S463-N493 VanDerWaalsContact C-O 3.24Å; S463-N493 VanDerWaalsContact CA-O 3.25Å; S463-N493 WeakPolarHBondContact CA-O 3.33Å; S463-G495 WeakPolarHBondContact OG-CA 3.43Å
464	G	85.1	Confident	84.9	Confident	2 Å²	2	46.3 Å²	46.3	2%	0.021	24%	0.241	C	C	.	.			trans	-74.6	-18.2	179.3	0	0	0	0	0	115.4	Y461 L462 S467 R470 K471 N493	Y461-G464 PolarHBondContact O-N 2.68Å; Y461-G464 VanDerWaalsContact O-N 3.08Å; L462-G464 PolarHBondContact O-N 3.2Å; G464-S467 WeakPolarHBondContact O-CA 3.29Å; G464-S467 WeakPolarHBondContact O-CB 3.22Å; G464-S467 PolarHBondContact O-N 2.9Å; G464-R470 VanDerWaalsContact CA-O 3.3Å; G464-R470 WeakPolarHBondContact CA-O 3.47Å; G464-R470 CarbonylContact O-C 3.38Å; G464-K471 WeakPolarHBondContact O-CA 3.42Å; G464-K471 WeakPolarHBondContact O-CB 3.44Å; G464-K471 PolarHBondContact O-N 3.08Å; G464-K471 VanDerWaalsContact O-N 3.17Å; G464-N493 WeakPolarHBondContact CA-ND2 3.13Å; G464-N493 PolarHBondContact N-O 3.33Å
465	M	86.9	Confident	85.8	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	141.5	179.1	-177.3	68.7	65.6	0	0	111	I333 D436 A437 S467 M490 N493 M494 F538 L547	I333-M465 HydrophobicContact CD1-CE 3.96Å; I333-M465 HydrophobicContact CG1-CE 4.35Å; I333-M465 HydrophobicContact CG1-SD 4.43Å; I333-M465 HydrophobicContact CG2-CE 3.97Å; I333-M465 HydrophobicContact CG2-SD 3.91Å; D436-M465 HydrophobicContact CB-SD 4.22Å; A437-M465 HydrophobicContact CB-CE 3.75Å; A437-M465 HydrophobicContact CB-SD 3.69Å; M465-S467 PolarHBondContact O-N 3.41Å; M465-M490 HydrophobicContact CE-CE 4.35Å; M465-M490 HydrophobicContact CE-CG 4Å; M465-M490 HydrophobicContact CE-SD 4.45Å; M465-N493 WeakPolarHBondContact CA-OD1 3.06Å; M465-N493 WeakPolarHBondContact CB-O 3.5Å; M465-N493 PolarHBondContact N-O 3.31Å; M465-N493 PolarHBondContact N-OD1 3.2Å; M465-N493 VanDerWaalsContact N-OD1 3.08Å; M465-M494 HydrophobicContact CB-CG 4.28Å; M465-M494 HydrophobicContact CE-CG 3.86Å; M465-M494 HydrophobicContact CG-CG 4.18Å; M465-F538 HydrophobicContact CB-CE1 4.33Å; M465-F538 HydrophobicContact CB-CZ 3.81Å; M465-F538 HydrophobicContact CG-CE1 4.38Å; M465-F538 HydrophobicContact CG-CZ 4.2Å; M465-L547 HydrophobicContact CG-CD1 4.12Å; M465-L547 HydrophobicContact CG-CD2 4.02Å; M465-L547 HydrophobicContact CG-CG 4.42Å; M465-L547 HydrophobicContact SD-CD2 4Å
466	C	82.3	Confident	86.9	Confident	30 Å²	30	38.6 Å²	38.6	20%	0.203	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	-10	-169.2	-50.2	0	0	0	0	116.6	D436 A543 C546	D436-C466 PolarHBondContact O-N 3.03Å; D436-C466 VanDerWaalsContact O-N 3.14Å; C466-A543 WeakPolarHBondContact CB-O 3.07Å; C466-A543 PolarHBondContact SG-O 3.34Å; C466-C546 WeakPolarHBondContact CA-SG 3.3Å; C466-C546 HydrophobicContact CB-CB 3.68Å; C466-C546 WeakPolarHBondContact CB-SG 3.17Å; C466-C546 WeakPolarHBondContact SG-CB 3.07Å; C466-C546 PolarHBondContact SG-N 2.78Å; C466-C546 VanDerWaalsContact SG-N 3.42Å; C466-C546 CovalentContact SG-SG 2.02Å; C466-C546 PolarHBondContact SG-SG 3.4Å
467	S	85.1	Confident	87.1	Confident	45 Å²	45	37.3 Å²	37.3	32%	0.315	19%	0.189	S	C	.	.			trans	-69.3	133.6	179.6	-171.4	0	0	0	0	110.7	G464 M465 K469 K471	G464-S467 WeakPolarHBondContact O-CA 3.29Å; G464-S467 WeakPolarHBondContact O-CB 3.22Å; G464-S467 PolarHBondContact O-N 2.9Å; M465-S467 PolarHBondContact O-N 3.41Å; S467-K469 PolarHBondContact O-N 3.32Å; S467-K471 WeakPolarHBondContact O-CB 3.16Å; S467-K471 WeakPolarHBondContact O-CD 3.42Å; S467-K471 WeakPolarHBondContact O-CG 3.37Å
468	E	78.5	Confident	86.7	Confident	120 Å²	120	36.5 Å²	36.5	56%	0.561	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-27.9	179.8	-63.5	-178.3	161.3	0	0	113.5	H411	H411-E468 PolarHBondContact ND1-O 3.42Å
469	K	78.3	Confident	85.7	Confident	127 Å²	127	36.2 Å²	36.2	55%	0.552	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.5	3.9	-170.7	-61.7	-175.2	177.2	-173.3	0	115.4	C407 H411 S467	C407-K469 WeakPolarHBondContact CB-O 3.43Å; H411-K469 HydrophobicContact CB-CG 4.49Å; H411-K469 WeakPolarHBondContact NE2-CE 3.19Å; S467-K469 PolarHBondContact O-N 3.32Å
470	R	86.6	Confident	84.3	Confident	144 Å²	144	36.8 Å²	36.8	54%	0.543	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.4	5.5	-174.8	-66.8	-171.6	175.8	177.2	-3.2	115.1	Y461 G464 C472 N493	Y461-R470 HydrophobicContact CD2-CB 3.7Å; Y461-R470 HydrophobicContact CD2-CG 3.74Å; Y461-R470 HydrophobicContact CE2-CB 4.42Å; Y461-R470 HydrophobicContact CE2-CG 4.03Å; Y461-R470 HydrophobicContact CG-CB 4.12Å; Y461-R470 HydrophobicContact CG-CG 4.18Å; G464-R470 VanDerWaalsContact CA-O 3.3Å; G464-R470 WeakPolarHBondContact CA-O 3.47Å; G464-R470 CarbonylContact O-C 3.38Å; R470-C472 PolarHBondContact O-N 3.49Å; R470-N493 PolarHBondContact O-ND2 2.87Å; R470-N493 VanDerWaalsContact O-ND2 3.14Å
471	K	88.1	Confident	83	Confident	11 Å²	11	37.7 Å²	37.7	5%	0.048	19%	0.186	C	C	.	.			trans	-79.2	42.1	-179.2	63.6	-175.8	169.3	-174.6	0	113.4	V435 D436 A437 A438 G464 S467	V435-K471 HydrophobicContact CG2-CD 4.39Å; V435-K471 VanDerWaalsContact O-CD 3.29Å; V435-K471 WeakPolarHBondContact O-CD 3.12Å; V435-K471 WeakPolarHBondContact O-CE 3.3Å; V435-K471 PolarHBondContact O-NZ 2.03Å; D436-K471 VanDerWaalsContact O-CB 3.26Å; D436-K471 WeakPolarHBondContact O-CB 3.32Å; D436-K471 WeakPolarHBondContact O-CD 3.47Å; A437-K471 CarbonylContact C-O 3.53Å; A437-K471 WeakPolarHBondContact CA-O 3.3Å; A437-K471 HydrophobicContact CB-CB 4.48Å; A438-K471 PolarHBondContact N-O 3.31Å; G464-K471 WeakPolarHBondContact O-CA 3.42Å; G464-K471 WeakPolarHBondContact O-CB 3.44Å; G464-K471 PolarHBondContact O-N 3.08Å; G464-K471 VanDerWaalsContact O-N 3.17Å; S467-K471 WeakPolarHBondContact O-CB 3.16Å; S467-K471 WeakPolarHBondContact O-CD 3.42Å; S467-K471 WeakPolarHBondContact O-CG 3.37Å
472	C	91.5	Very high	82.4	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	136.3	-165.2	-5.3	0	0	0	0	109.2	L403 F406 C407 A438 R470	L403-C472 HydrophobicContact CD1-CB 4.29Å; F406-C472 HydrophobicContact CD1-CB 3.89Å; F406-C472 HydrophobicContact CE1-CB 4.16Å; C407-C472 WeakPolarHBondContact CA-SG 3.13Å; C407-C472 HydrophobicContact CB-CB 4.16Å; C407-C472 WeakPolarHBondContact CB-SG 3.3Å; C407-C472 WeakPolarHBondContact SG-CB 3.3Å; C407-C472 CovalentContact SG-SG 2.02Å; C407-C472 PolarHBondContact SG-SG 3.01Å; A438-C472 WeakPolarHBondContact O-CA 3.45Å; R470-C472 PolarHBondContact O-N 3.49Å
473	I	94.7	Very high	81.8	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	137.4	-175	-68.6	156.3	0	0	0	107.3	A438 I439 L440 A460 E489 M490 N493	A438-I473 PolarHBondContact O-N 3.14Å; I439-I473 CarbonylContact C-O 3.58Å; I439-I473 WeakPolarHBondContact CA-O 3.44Å; I439-I473 HydrophobicContact CG1-CB 4.11Å; I439-I473 HydrophobicContact CG1-CD1 4.1Å; I439-I473 HydrophobicContact CG1-CG2 4.23Å; I439-I473 HydrophobicContact CG2-CG2 4.24Å; L440-I473 PolarHBondContact N-O 3.49Å; A460-I473 HydrophobicContact CB-CB 4.38Å; A460-I473 HydrophobicContact CB-CG1 3.84Å; I473-E489 HydrophobicContact CG2-CB 3.56Å; I473-E489 HydrophobicContact CG2-CG 4.41Å; I473-M490 HydrophobicContact CD1-CB 3.89Å; I473-M490 HydrophobicContact CD1-CE 3.72Å; I473-M490 HydrophobicContact CD1-CG 4.24Å; I473-N493 HydrophobicContact CD1-CB 4.09Å; I473-N493 HydrophobicContact CG1-CB 4.08Å
474	I	93.6	Very high	81.4	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	135.8	171.4	-57.5	-174	0	0	0	108.5	M402 L403 F406 L440 T442 F446 G458 I459	M402-I474 VanDerWaalsContact C-CD1 3.42Å; M402-I474 HydrophobicContact CB-CD1 3.81Å; M402-I474 HydrophobicContact CG-CD1 3.66Å; M402-I474 HydrophobicContact SD-CD1 3.84Å; M402-I474 HydrophobicContact SD-CG2 3.81Å; L403-I474 VanDerWaalsContact CA-CD1 3.49Å; L403-I474 HydrophobicContact CB-CD1 4.05Å; L403-I474 HydrophobicContact CD1-CD1 4.28Å; L403-I474 HydrophobicContact CD1-CG1 4.13Å; F406-I474 HydrophobicContact CB-CD1 4.3Å; F406-I474 HydrophobicContact CD1-CG1 4.25Å; L440-I474 HydrophobicContact CB-CG1 4.22Å; L440-I474 HydrophobicContact CD2-CD1 4.3Å; L440-I474 HydrophobicContact CD2-CG1 4.42Å; L440-I474 WeakPolarHBondContact O-CA 3.47Å; T442-I474 HydrophobicContact CG2-CG2 4.33Å; F446-I474 HydrophobicContact CD1-CG2 4.47Å; F446-I474 HydrophobicContact CE1-CG2 3.65Å; F446-I474 HydrophobicContact CZ-CG2 3.83Å; G458-I474 WeakPolarHBondContact CA-O 3.18Å; I459-I474 HydrophobicContact CG2-CB 3.91Å; I459-I474 HydrophobicContact CG2-CD1 4.47Å; I459-I474 HydrophobicContact CG2-CG1 4.47Å; I459-I474 PolarHBondContact N-O 2.75Å; I459-I474 PolarHBondContact O-N 3.09Å
475	A	92.6	Very high	81.3	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	132	176.2	0	0	0	0	0	110.9	L440 I441 T442 L482 T485 I486	L440-A475 PolarHBondContact O-N 2.98Å; I441-A475 WeakPolarHBondContact CA-O 3.33Å; T442-A475 PolarHBondContact N-O 3.45Å; T442-A475 VanDerWaalsContact N-O 3.07Å; A475-L482 HydrophobicContact CB-CD1 3.5Å; A475-T485 HydrophobicContact CB-CG2 3.63Å; A475-I486 HydrophobicContact CB-CD1 4.47Å; A475-I486 HydrophobicContact CB-CG1 3.68Å
476	E	88.7	Confident	81.3	Confident	27 Å²	27	29.7 Å²	29.7	13%	0.126	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	128.9	171.3	-165.1	-150.5	166.9	0	0	109.8	T442 F446 V457 N478 L482	T442-E476 CarbonylContact O-C 3.5Å; T442-E476 WeakPolarHBondContact O-CA 3.3Å; F446-E476 HydrophobicContact CE1-CB 4.17Å; V457-E476 WeakPolarHBondContact O-CB 3.2Å; V457-E476 PolarHBondContact O-N 3.1Å; E476-N478 PolarHBondContact O-N 2.86Å; E476-L482 WeakPolarHBondContact O-CD1 2.99Å
477	D	84.2	Confident	81.5	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.132	C	C	.	.			trans	-66.2	99.9	169.1	167.9	29.4	0	0	0	110.7	M343 H347 F355 I441 T442 R443 G479 L482	M343-D477 HydrophobicContact CE-CB 4.16Å; M343-D477 HydrophobicContact SD-CB 3.33Å; M343-D477 WeakPolarHBondContact SD-CB 3.44Å; M343-D477 VanDerWaalsContact SD-OD2 3.41Å; H347-D477 IonicContact CD2-OD2 3.36Å; H347-D477 IonicContact CE1-OD2 3.72Å; H347-D477 IonicContact NE2-OD2 3.4Å; H347-D477 PolarHBondContact NE2-OD2 3.01Å; F355-D477 WeakPolarHBondContact CE1-OD1 3.01Å; F355-D477 VanDerWaalsContact CZ-OD1 3.31Å; F355-D477 WeakPolarHBondContact CZ-OD1 3.42Å; I441-D477 HydrophobicContact CG2-CB 4.3Å; T442-D477 PolarHBondContact O-N 2.82Å; R443-D477 HydrophobicContact CG-CB 4.17Å; R443-D477 IonicContact CZ-OD2 3.79Å; R443-D477 IonicContact NE-OD2 2.75Å; R443-D477 PolarHBondContact NE-OD2 2.93Å; R443-D477 PolarHBondContact NH1-O 3.11Å; R443-D477 IonicContact NH1-OD1 2.68Å; R443-D477 PolarHBondContact NH1-OD1 2.98Å; R443-D477 IonicContact NH1-OD2 2.76Å; R443-D477 PolarHBondContact NH1-OD2 3.36Å; R443-D477 IonicContact NH2-OD2 3.16Å; D477-G479 PolarHBondContact OD1-N 3.02Å; D477-L482 HydrophobicContact CB-CD2 4.36Å
478	N	72.5	Confident	81.6	Confident	15 Å²	15	27.3 Å²	27.3	8%	0.08	12%	0.122	C	C	.	.			trans	-103.1	20.9	170.1	62.7	23.8	0	0	0	112.5	E476 L482 T485 W516	E476-N478 PolarHBondContact O-N 2.86Å; N478-L482 PolarHBondContact OD1-N 2.94Å; N478-T485 PolarHBondContact ND2-OG1 2.96Å; N478-W516 VanDerWaalsContact ND2-CH2 3.35Å; N478-W516 WeakPolarHBondContact ND2-CH2 3.28Å; N478-W516 VanDerWaalsContact ND2-CZ2 3.29Å; N478-W516 WeakPolarHBondContact ND2-CZ2 3.07Å
479	G	65.9	Low	82.3	Confident	2 Å²	2	22.4 Å²	22.4	2%	0.021	10%	0.099	C	C	.	.	S	Bend	trans	90.3	-143.8	-174.8	0	0	0	0	0	112.5	F355 D477 N481 L482	F355-G479 WeakPolarHBondContact CZ-O 3.1Å; D477-G479 PolarHBondContact OD1-N 3.02Å; G479-N481 PolarHBondContact O-N 2.84Å; G479-L482 WeakPolarHBondContact O-CB 3.42Å; G479-L482 PolarHBondContact O-N 2.04Å
480	L	59.9	Low	83	Confident	36 Å²	36	16.3 Å²	16.3	19%	0.188	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-26.4	-176.1	-86.4	-168.7	0	0	0	114.2	I359 M362 L482 A483 M615	I359-L480 HydrophobicContact CD1-CD2 3.92Å; I359-L480 WeakPolarHBondContact CD1-O 3.5Å; M362-L480 HydrophobicContact CE-CB 4.41Å; M362-L480 HydrophobicContact CE-CD2 4.21Å; M362-L480 HydrophobicContact SD-CD2 3.93Å; L480-L482 PolarHBondContact O-N 2.86Å; L480-A483 PolarHBondContact O-N 3.15Å; L480-M615 HydrophobicContact CD1-CE 3.87Å; L480-M615 HydrophobicContact CD1-CG 3.8Å; L480-M615 HydrophobicContact CD2-CE 3.88Å; L480-M615 HydrophobicContact CG-CE 3.83Å
481	N	65.3	Low	83	Confident	35 Å²	35	9.5 Å²	9.5	19%	0.187	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-10.1	-177.7	-52.6	-45.8	0	0	0	112.8	G479 A483 F484 T485 W516 D612	G479-N481 PolarHBondContact O-N 2.84Å; N481-A483 PolarHBondContact O-N 2.67Å; N481-F484 WeakPolarHBondContact O-CA 3.21Å; N481-F484 WeakPolarHBondContact O-CB 3.38Å; N481-F484 PolarHBondContact O-N 2.95Å; N481-T485 PolarHBondContact O-N 3.24Å; N481-W516 HydrophobicContact CB-CH2 3.88Å; N481-W516 HydrophobicContact CB-CZ2 3.48Å; N481-W516 VanDerWaalsContact CB-CZ2 3.48Å; N481-D612 PolarHBondContact ND2-OD1 2.93Å
482	L	77.4	Confident	83.1	Confident	0 Å²	0	10 Å²	10	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-53.1	-25.6	171.2	175.7	63.8	0	0	0	112	F355 I359 I441 A475 E476 D477 N478 G479 L480 T485 I486	F355-L482 HydrophobicContact CE1-CD2 4.01Å; F355-L482 HydrophobicContact CZ-CD2 4.38Å; I359-L482 HydrophobicContact CD1-CB 4.14Å; I359-L482 HydrophobicContact CG1-CD2 4.25Å; I359-L482 HydrophobicContact CG2-CB 4.25Å; I359-L482 HydrophobicContact CG2-CD2 4.09Å; I359-L482 HydrophobicContact CG2-CG 3.88Å; I441-L482 HydrophobicContact CD1-CD2 4.32Å; I441-L482 HydrophobicContact CG2-CD1 4.34Å; I441-L482 HydrophobicContact CG2-CD2 3.67Å; A475-L482 HydrophobicContact CB-CD1 3.5Å; E476-L482 WeakPolarHBondContact O-CD1 2.99Å; D477-L482 HydrophobicContact CB-CD2 4.36Å; N478-L482 PolarHBondContact OD1-N 2.94Å; G479-L482 WeakPolarHBondContact O-CB 3.42Å; G479-L482 PolarHBondContact O-N 2.04Å; L480-L482 PolarHBondContact O-N 2.86Å; L482-T485 PolarHBondContact O-N 2.73Å; L482-I486 HydrophobicContact CD1-CD1 3.89Å; L482-I486 HydrophobicContact CD1-CG1 3.99Å; L482-I486 HydrophobicContact CD2-CD1 4.42Å; L482-I486 HydrophobicContact CG-CD1 3.83Å; L482-I486 HydrophobicContact CG-CG1 4.32Å; L482-I486 WeakPolarHBondContact O-CB 3.12Å; L482-I486 WeakPolarHBondContact O-CG1 3.37Å; L482-I486 PolarHBondContact O-N 2.8Å
483	A	74.1	Confident	83.1	Confident	1 Å²	1	10 Å²	10	1%	0.008	5%	0.05	C	C	.	.	H	α-helix	trans	-64.3	-37.2	172	0	0	0	0	0	113.4	I359 M362 V363 L480 N481 A487	I359-A483 HydrophobicContact CG2-CB 4.21Å; M362-A483 HydrophobicContact CB-CB 3.5Å; M362-A483 HydrophobicContact CE-CB 3.82Å; M362-A483 HydrophobicContact CG-CB 4.46Å; M362-A483 HydrophobicContact SD-CB 4.25Å; V363-A483 HydrophobicContact CG2-CB 4.22Å; V363-A483 WeakPolarHBondContact CG2-O 3.46Å; L480-A483 PolarHBondContact O-N 3.15Å; N481-A483 PolarHBondContact O-N 2.67Å; A483-A487 WeakPolarHBondContact O-CB 3.32Å; A483-A487 PolarHBondContact O-N 3.17Å; A483-A487 VanDerWaalsContact O-N 3.12Å
484	F	77.8	Confident	83	Confident	30 Å²	30	10 Å²	10	13%	0.132	5%	0.05	C	C	.	.	H	α-helix	trans	-72.5	-42.8	173.3	-66.5	-62	0	0	0	111.1	L366 N481 I486 A487 H488 W516 L522 V525	L366-F484 HydrophobicContact CD1-CD1 3.65Å; L366-F484 HydrophobicContact CD1-CE1 3.88Å; L366-F484 HydrophobicContact CD2-CD1 4.31Å; L366-F484 HydrophobicContact CD2-CE1 3.76Å; L366-F484 HydrophobicContact CG-CE1 4.49Å; N481-F484 WeakPolarHBondContact O-CA 3.21Å; N481-F484 WeakPolarHBondContact O-CB 3.38Å; N481-F484 PolarHBondContact O-N 2.95Å; F484-I486 PolarHBondContact O-N 3.31Å; F484-A487 PolarHBondContact O-N 3.14Å; F484-H488 WeakPolarHBondContact O-CB 3.45Å; F484-H488 PolarHBondContact O-N 3Å; F484-W516 HydrophobicContact CB-CH2 4.37Å; F484-W516 HydrophobicContact CB-CZ3 4.46Å; F484-L522 HydrophobicContact CE2-CD2 3.58Å; F484-L522 HydrophobicContact CE2-CG 4.48Å; F484-L522 HydrophobicContact CZ-CD2 3.72Å; F484-V525 HydrophobicContact CD1-CG1 4.03Å; F484-V525 HydrophobicContact CE1-CB 3.64Å; F484-V525 HydrophobicContact CE1-CG1 3.54Å; F484-V525 HydrophobicContact CE1-CG2 3.94Å; F484-V525 HydrophobicContact CZ-CB 3.91Å; F484-V525 HydrophobicContact CZ-CG1 4.21Å; F484-V525 HydrophobicContact CZ-CG2 3.73Å
485	T	82.7	Confident	82.6	Confident	1 Å²	1	10.3 Å²	10.3	1%	0.006	5%	0.053	C	C	.	.	H	α-helix	trans	-53	-54.5	173.1	-50.6	0	0	0	0	111.4	V457 A475 N478 N481 L482 A487 H488 E489 W516	V457-T485 HydrophobicContact CB-CG2 4.35Å; V457-T485 HydrophobicContact CG2-CG2 4.19Å; V457-T485 WeakPolarHBondContact O-CG2 3.45Å; A475-T485 HydrophobicContact CB-CG2 3.63Å; N478-T485 PolarHBondContact ND2-OG1 2.96Å; N481-T485 PolarHBondContact O-N 3.24Å; L482-T485 PolarHBondContact O-N 2.73Å; T485-A487 VanDerWaalsContact C-N 3.32Å; T485-A487 PolarHBondContact O-N 2.94Å; T485-H488 WeakPolarHBondContact O-CB 3.49Å; T485-H488 PolarHBondContact O-N 3.17Å; T485-E489 HydrophobicContact CG2-CG 4.48Å; T485-E489 WeakPolarHBondContact O-CG 3.42Å; T485-E489 PolarHBondContact O-N 2.97Å; T485-W516 VanDerWaalsContact OG1-CH2 3.28Å; T485-W516 WeakPolarHBondContact OG1-CH2 3.35Å; T485-W516 WeakPolarHBondContact OG1-CZ3 3.46Å
486	I	87.7	Confident	82.5	Confident	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-65.4	-35.4	-178	-67.1	170.4	0	0	0	111.3	I359 V363 I439 I441 A475 L482 F484 M490	I359-I486 HydrophobicContact CG2-CD1 3.9Å; V363-I486 HydrophobicContact CG1-CG2 4.04Å; V363-I486 HydrophobicContact CG2-CB 3.82Å; V363-I486 HydrophobicContact CG2-CG2 3.78Å; I439-I486 HydrophobicContact CD1-CG2 3.75Å; I439-I486 HydrophobicContact CG2-CD1 4.24Å; I439-I486 HydrophobicContact CG2-CG1 4.29Å; I441-I486 HydrophobicContact CD1-CD1 3.99Å; I441-I486 HydrophobicContact CG1-CD1 4.22Å; A475-I486 HydrophobicContact CB-CD1 4.47Å; A475-I486 HydrophobicContact CB-CG1 3.68Å; L482-I486 HydrophobicContact CD1-CD1 3.89Å; L482-I486 HydrophobicContact CD1-CG1 3.99Å; L482-I486 HydrophobicContact CD2-CD1 4.42Å; L482-I486 HydrophobicContact CG-CD1 3.83Å; L482-I486 HydrophobicContact CG-CG1 4.32Å; L482-I486 WeakPolarHBondContact O-CB 3.12Å; L482-I486 WeakPolarHBondContact O-CG1 3.37Å; L482-I486 PolarHBondContact O-N 2.8Å; F484-I486 PolarHBondContact O-N 3.31Å; I486-M490 WeakPolarHBondContact O-CB 3.02Å; I486-M490 PolarHBondContact O-N 2.84Å
487	A	86.4	Confident	82.5	Confident	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-66	-43	174.3	0	0	0	0	0	112.3	V363 L366 F367 A483 F484 T485 G491 I511 W527	V363-A487 HydrophobicContact CG1-CB 4.44Å; L366-A487 HydrophobicContact CB-CB 4.38Å; L366-A487 HydrophobicContact CD1-CB 3.75Å; F367-A487 HydrophobicContact CE2-CB 4.28Å; F367-A487 HydrophobicContact CZ-CB 4.47Å; A483-A487 WeakPolarHBondContact O-CB 3.32Å; A483-A487 PolarHBondContact O-N 3.17Å; A483-A487 VanDerWaalsContact O-N 3.12Å; F484-A487 PolarHBondContact O-N 3.14Å; T485-A487 VanDerWaalsContact C-N 3.32Å; T485-A487 PolarHBondContact O-N 2.94Å; A487-G491 PolarHBondContact O-N 3.19Å; A487-I511 HydrophobicContact CB-CG2 4.24Å; A487-W527 HydrophobicContact CB-CH2 4.41Å; A487-W527 HydrophobicContact CB-CZ2 4.43Å; A487-W527 WeakPolarHBondContact O-CH2 3.04Å
488	H	87	Confident	82.7	Confident	25 Å²	25	14 Å²	14	12%	0.116	7%	0.072	C	C	.	.	H	α-helix	trans	-61.2	-53.3	176.8	-174.6	106.7	0	0	0	111.4	F484 T485 M490 G491 H492 H498 I511 M512 S513	F484-H488 WeakPolarHBondContact O-CB 3.45Å; F484-H488 PolarHBondContact O-N 3Å; T485-H488 WeakPolarHBondContact O-CB 3.49Å; T485-H488 PolarHBondContact O-N 3.17Å; H488-M490 PolarHBondContact O-N 3.02Å; H488-G491 CarbonylContact O-C 3.6Å; H488-G491 VanDerWaalsContact O-CA 3.29Å; H488-G491 WeakPolarHBondContact O-CA 3.34Å; H488-G491 PolarHBondContact O-N 3.38Å; H488-H492 AromaticContact CD2-CD2 3.47Å; H488-H492 PolarHBondContact CD2-CD2 2.96Å; H488-H492 VanDerWaalsContact CD2-CD2 3.47Å; H488-H492 AromaticContact CD2-NE2 3.4Å; H488-H492 PolarHBondContact CD2-NE2 3.32Å; H488-H492 AromaticContact NE2-CD2 3.62Å; H488-H492 AromaticContact NE2-NE2 3Å; H488-H492 PolarHBondContact NE2-NE2 2.97Å; H488-H492 PolarHBondContact O-N 2.79Å; H488-H498 AromaticContact CE1-CD2 3.59Å; H488-H498 AromaticContact CE1-NE2 3.78Å; H488-H498 AromaticContact NE2-CD2 3.53Å; H488-H498 AromaticContact NE2-NE2 3.3Å; H488-H498 PolarHBondContact NE2-NE2 2.87Å; H488-I511 PolarHBondContact ND1-O 3.29Å; H488-M512 HydrophobicContact CB-SD 4.46Å; H488-M512 WeakPolarHBondContact O-CE 3.47Å; H488-S513 PolarHBondContact CE1-O 2.81Å
489	E	93	Very high	83.3	Confident	16 Å²	16	13.3 Å²	13.3	8%	0.075	7%	0.068	C	C	.	.	H	α-helix	trans	-67.4	-33.4	-179.8	-62.4	-48.7	143.7	0	0	113.1	G458 I459 A460 I473 T485 G491 H492 N493	G458-E489 VanDerWaalsContact C-CD 3.49Å; G458-E489 VanDerWaalsContact C-OE1 3.26Å; I459-E489 VanDerWaalsContact CA-OE2 3.27Å; I459-E489 WeakPolarHBondContact CA-OE2 3.29Å; I459-E489 VanDerWaalsContact N-CD 3.31Å; A460-E489 HydrophobicContact CB-CB 3.95Å; A460-E489 WeakPolarHBondContact CB-O 3.37Å; A460-E489 PolarHBondContact N-OE2 3.07Å; I473-E489 HydrophobicContact CG2-CB 3.56Å; I473-E489 HydrophobicContact CG2-CG 4.41Å; T485-E489 HydrophobicContact CG2-CG 4.48Å; T485-E489 WeakPolarHBondContact O-CG 3.42Å; T485-E489 PolarHBondContact O-N 2.97Å; E489-G491 VanDerWaalsContact C-N 3.29Å; E489-H492 PolarHBondContact O-N 3.27Å; E489-H492 IonicContact OE2-CD2 3.45Å; E489-N493 WeakPolarHBondContact O-CB 3.24Å; E489-N493 PolarHBondContact O-N 2.8Å
490	M	92.4	Very high	84	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-69.7	-28.6	170.4	-174.9	162.8	-77.6	0	0	112	I333 F367 L378 A437 I439 M465 I473 I486 H488 N493 M494	I333-M490 HydrophobicContact CD1-CG 4.44Å; I333-M490 HydrophobicContact CD1-SD 3.82Å; I333-M490 HydrophobicContact CG2-CE 4.41Å; F367-M490 HydrophobicContact CE2-CB 4.12Å; F367-M490 HydrophobicContact CE2-CG 4.03Å; F367-M490 HydrophobicContact CE2-SD 3.86Å; F367-M490 HydrophobicContact CZ-CB 3.88Å; F367-M490 HydrophobicContact CZ-CG 3.83Å; F367-M490 HydrophobicContact CZ-SD 4.26Å; L378-M490 HydrophobicContact CD1-CE 3.89Å; L378-M490 HydrophobicContact CD1-SD 3.74Å; A437-M490 HydrophobicContact CB-CE 4.49Å; I439-M490 HydrophobicContact CD1-CE 3.91Å; I439-M490 HydrophobicContact CG1-CE 4.36Å; M465-M490 HydrophobicContact CE-CE 4.35Å; M465-M490 HydrophobicContact CE-CG 4Å; M465-M490 HydrophobicContact CE-SD 4.45Å; I473-M490 HydrophobicContact CD1-CB 3.89Å; I473-M490 HydrophobicContact CD1-CE 3.72Å; I473-M490 HydrophobicContact CD1-CG 4.24Å; I486-M490 WeakPolarHBondContact O-CB 3.02Å; I486-M490 PolarHBondContact O-N 2.84Å; H488-M490 PolarHBondContact O-N 3.02Å; M490-N493 PolarHBondContact O-N 3.42Å; M490-M494 HydrophobicContact CG-CE 4.3Å; M490-M494 WeakPolarHBondContact O-CG 3.49Å; M490-M494 PolarHBondContact O-N 2.97Å
491	G	88.3	Confident	85	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61.3	-51.8	167.7	0	0	0	0	0	112.2	A487 H488 E489 N493 M494 G495 I496	A487-G491 PolarHBondContact O-N 3.19Å; H488-G491 CarbonylContact O-C 3.6Å; H488-G491 VanDerWaalsContact O-CA 3.29Å; H488-G491 WeakPolarHBondContact O-CA 3.34Å; H488-G491 PolarHBondContact O-N 3.38Å; E489-G491 VanDerWaalsContact C-N 3.29Å; G491-N493 VanDerWaalsContact C-N 3.28Å; G491-N493 PolarHBondContact O-N 3.39Å; G491-M494 CarbonylContact O-C 3.58Å; G491-M494 WeakPolarHBondContact O-CA 3.39Å; G491-M494 PolarHBondContact O-N 3.3Å; G491-G495 PolarHBondContact O-N 3.1Å; G491-I496 WeakPolarHBondContact O-CB 3.46Å; G491-I496 WeakPolarHBondContact O-CG1 3.24Å; G491-I496 PolarHBondContact O-N 2.73Å
492	H	88.6	Confident	85.7	Confident	22 Å²	22	19.2 Å²	19.2	10%	0.102	10%	0.098	C	C	.	.	H	α-helix	trans	-54	-46.7	170.7	-76	-55.8	0	0	0	111	A460 L462 S463 H488 E489 M494 G495 I496 H498	A460-H492 HydrophobicContact CB-CB 4.46Å; L462-H492 CarbonylContact C-O 3.53Å; L462-H492 VanDerWaalsContact CA-O 3.24Å; L462-H492 WeakPolarHBondContact CA-O 3.47Å; S463-H492 PolarHBondContact N-O 2.92Å; H488-H492 AromaticContact CD2-CD2 3.47Å; H488-H492 PolarHBondContact CD2-CD2 2.96Å; H488-H492 VanDerWaalsContact CD2-CD2 3.47Å; H488-H492 AromaticContact CD2-NE2 3.4Å; H488-H492 PolarHBondContact CD2-NE2 3.32Å; H488-H492 AromaticContact NE2-CD2 3.62Å; H488-H492 AromaticContact NE2-NE2 3Å; H488-H492 PolarHBondContact NE2-NE2 2.97Å; H488-H492 PolarHBondContact O-N 2.79Å; E489-H492 PolarHBondContact O-N 3.27Å; E489-H492 IonicContact OE2-CD2 3.45Å; H492-M494 PolarHBondContact O-N 3.46Å; H492-G495 WeakPolarHBondContact O-CA 3.3Å; H492-G495 PolarHBondContact O-N 2.78Å; H492-I496 WeakPolarHBondContact CA-O 3.37Å; H492-I496 PolarHBondContact ND1-O 2.93Å; H492-I496 VanDerWaalsContact ND1-O 3.16Å; H492-H498 AromaticContact CE1-CD2 3.52Å; H492-H498 AromaticContact CE1-CE1 3.93Å; H492-H498 AromaticContact CE1-NE2 3.35Å; H492-H498 PolarHBondContact CE1-NE2 2.89Å; H492-H498 VanDerWaalsContact CE1-NE2 3.35Å; H492-H498 AromaticContact NE2-CD2 3.56Å; H492-H498 AromaticContact NE2-CE1 3.99Å; H492-H498 AromaticContact NE2-NE2 3.12Å; H492-H498 PolarHBondContact NE2-NE2 3.36Å; H492-H498 VanDerWaalsContact NE2-NE2 3.12Å
493	N	91.9	Very high	85.4	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.7	-29.7	180	-145.7	-121.3	0	0	0	112.8	A460 Y461 S463 G464 M465 R470 I473 E489 M490 G491 G495	A460-N493 HydrophobicContact CB-CB 4.49Å; Y461-N493 WeakPolarHBondContact O-CA 3.47Å; Y461-N493 PolarHBondContact O-ND2 3Å; S463-N493 CarbonylContact C-O 3.55Å; S463-N493 VanDerWaalsContact C-O 3.24Å; S463-N493 VanDerWaalsContact CA-O 3.25Å; S463-N493 WeakPolarHBondContact CA-O 3.33Å; G464-N493 WeakPolarHBondContact CA-ND2 3.13Å; G464-N493 PolarHBondContact N-O 3.33Å; M465-N493 WeakPolarHBondContact CA-OD1 3.06Å; M465-N493 WeakPolarHBondContact CB-O 3.5Å; M465-N493 PolarHBondContact N-O 3.31Å; M465-N493 PolarHBondContact N-OD1 3.2Å; M465-N493 VanDerWaalsContact N-OD1 3.08Å; R470-N493 PolarHBondContact O-ND2 2.87Å; R470-N493 VanDerWaalsContact O-ND2 3.14Å; I473-N493 HydrophobicContact CD1-CB 4.09Å; I473-N493 HydrophobicContact CG1-CB 4.08Å; E489-N493 WeakPolarHBondContact O-CB 3.24Å; E489-N493 PolarHBondContact O-N 2.8Å; M490-N493 PolarHBondContact O-N 3.42Å; G491-N493 VanDerWaalsContact C-N 3.28Å; G491-N493 PolarHBondContact O-N 3.39Å; N493-G495 VanDerWaalsContact C-N 3.31Å; N493-G495 PolarHBondContact O-N 3.22Å
494	M	92.3	Very high	85.4	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	17.2	168.9	-65.3	-169.7	-66.9	0	0	114.8	I333 F367 V376 M465 M490 G491 H492 L535 F538	I333-M494 HydrophobicContact CD1-CE 4.45Å; I333-M494 HydrophobicContact CD1-SD 3.81Å; F367-M494 HydrophobicContact CD1-CE 4.02Å; F367-M494 HydrophobicContact CE1-CE 3.31Å; F367-M494 HydrophobicContact CZ-CE 3.82Å; V376-M494 HydrophobicContact CG1-CE 4.44Å; V376-M494 HydrophobicContact CG1-SD 4.19Å; M465-M494 HydrophobicContact CB-CG 4.28Å; M465-M494 HydrophobicContact CE-CG 3.86Å; M465-M494 HydrophobicContact CG-CG 4.18Å; M490-M494 HydrophobicContact CG-CE 4.3Å; M490-M494 WeakPolarHBondContact O-CG 3.49Å; M490-M494 PolarHBondContact O-N 2.97Å; G491-M494 CarbonylContact O-C 3.58Å; G491-M494 WeakPolarHBondContact O-CA 3.39Å; G491-M494 PolarHBondContact O-N 3.3Å; H492-M494 PolarHBondContact O-N 3.46Å; M494-L535 HydrophobicContact CB-CD1 3.75Å; M494-L535 HydrophobicContact CE-CD1 4.18Å; M494-L535 HydrophobicContact CG-CD1 4.42Å; M494-L535 HydrophobicContact SD-CD1 3.91Å; M494-F538 HydrophobicContact CB-CD1 4.16Å; M494-F538 HydrophobicContact CB-CE1 4.33Å; M494-F538 HydrophobicContact CG-CE1 4.43Å; M494-F538 WeakPolarHBondContact O-CB 3.34Å; M494-F538 WeakPolarHBondContact O-CD1 3.49Å; M494-F538 WeakPolarHBondContact O-CG 3.48Å
495	G	86.6	Confident	85.5	Confident	7 Å²	7	29.4 Å²	29.4	7%	0.072	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	17.2	170.9	0	0	0	0	0	115.8	S463 G491 H492 N493	S463-G495 WeakPolarHBondContact OG-CA 3.43Å; G491-G495 PolarHBondContact O-N 3.1Å; H492-G495 WeakPolarHBondContact O-CA 3.3Å; H492-G495 PolarHBondContact O-N 2.78Å; N493-G495 VanDerWaalsContact C-N 3.31Å; N493-G495 PolarHBondContact O-N 3.22Å
496	I	90.2	Very high	84.9	Confident	0 Å²	0	32 Å²	32	0%	0	19%	0.191	C	C	.	.			trans	-81.5	131.2	172.3	-49.1	177.2	0	0	0	109.3	L372 L462 G491 H492 M512 W527 D534 L535	L372-I496 HydrophobicContact CD1-CD1 4.49Å; L462-I496 VanDerWaalsContact CD1-O 3.26Å; L462-I496 WeakPolarHBondContact CD1-O 3.31Å; G491-I496 WeakPolarHBondContact O-CB 3.46Å; G491-I496 WeakPolarHBondContact O-CG1 3.24Å; G491-I496 PolarHBondContact O-N 2.73Å; H492-I496 WeakPolarHBondContact CA-O 3.37Å; H492-I496 PolarHBondContact ND1-O 2.93Å; H492-I496 VanDerWaalsContact ND1-O 3.16Å; I496-M512 HydrophobicContact CB-CE 4.29Å; I496-M512 HydrophobicContact CB-CG 4.49Å; I496-M512 HydrophobicContact CG2-CB 4.44Å; I496-M512 HydrophobicContact CG2-CE 4.27Å; I496-M512 HydrophobicContact CG2-CG 3.71Å; I496-M512 HydrophobicContact CG2-SD 4.37Å; I496-W527 HydrophobicContact CD1-CE3 4.39Å; I496-W527 HydrophobicContact CD1-CZ3 4.03Å; I496-D534 HydrophobicContact CB-CB 4.38Å; I496-D534 HydrophobicContact CG2-CB 4.16Å; I496-L535 HydrophobicContact CD1-CB 3.95Å; I496-L535 HydrophobicContact CG1-CB 4Å
497	N	88.4	Confident	83.8	Confident	47 Å²	47	36.3 Å²	36.3	25%	0.251	21%	0.214	S	C	.	.			trans	-90.8	176.8	175.3	-53.8	-90.7	0	0	0	110.4	L462 D501 D534	L462-N497 WeakPolarHBondContact CD2-OD1 3.03Å; N497-D501 HydrophobicContact CB-CB 4.49Å; N497-D534 PolarHBondContact N-OD2 3.02Å; N497-D534 VanDerWaalsContact N-OD2 3.13Å; N497-D534 PolarHBondContact ND2-OD2 3.02Å
498	H	89.3	Confident	82.6	Confident	57 Å²	57	37.8 Å²	37.8	26%	0.264	23%	0.229	S	C	.	.			trans	-67.3	145	174.3	-64.1	131.3	0	0	0	110.9	H488 H492 N500 D501 H502 M512	H488-H498 AromaticContact CE1-CD2 3.59Å; H488-H498 AromaticContact CE1-NE2 3.78Å; H488-H498 AromaticContact NE2-CD2 3.53Å; H488-H498 AromaticContact NE2-NE2 3.3Å; H488-H498 PolarHBondContact NE2-NE2 2.87Å; H492-H498 AromaticContact CE1-CD2 3.52Å; H492-H498 AromaticContact CE1-CE1 3.93Å; H492-H498 AromaticContact CE1-NE2 3.35Å; H492-H498 PolarHBondContact CE1-NE2 2.89Å; H492-H498 VanDerWaalsContact CE1-NE2 3.35Å; H492-H498 AromaticContact NE2-CD2 3.56Å; H492-H498 AromaticContact NE2-CE1 3.99Å; H492-H498 AromaticContact NE2-NE2 3.12Å; H492-H498 PolarHBondContact NE2-NE2 3.36Å; H492-H498 VanDerWaalsContact NE2-NE2 3.12Å; H498-N500 HydrophobicContact CB-CB 4.48Å; H498-N500 PolarHBondContact O-N 3.42Å; H498-D501 WeakPolarHBondContact CB-OD2 3.22Å; H498-D501 IonicContact CG-OD2 2.73Å; H498-D501 PolarHBondContact N-OD2 2.91Å; H498-D501 VanDerWaalsContact N-OD2 3.1Å; H498-D501 IonicContact ND1-OD2 2.73Å; H498-D501 WeakPolarHBondContact O-CB 3.46Å; H498-D501 PolarHBondContact O-N 3.26Å; H498-H502 PolarHBondContact O-CD2 2.83Å; H498-M512 CarbonylContact C-O 3.6Å; H498-M512 WeakPolarHBondContact CA-O 3.28Å
499	D	84.9	Confident	81.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-63.1	-23.4	174.6	-69.2	-43	0	0	0	111.6	H502 C505 A506 H510 M512 S528 S531	D499-H502 PolarHBondContact O-N 2.03Å; D499-C505 HydrophobicContact CB-CB 4.08Å; D499-C505 CarbonylContact O-C 3.55Å; D499-A506 PolarHBondContact O-N 2.95Å; D499-H510 WeakPolarHBondContact OD2-CB 3.43Å; D499-M512 PolarHBondContact N-O 2.87Å; D499-M512 WeakPolarHBondContact OD2-CB 3.45Å; D499-M512 PolarHBondContact OD2-N 2.8Å; D499-S528 VanDerWaalsContact CG-CB 3.5Å; D499-S528 VanDerWaalsContact CG-OG 3.23Å; D499-S528 VanDerWaalsContact OD1-CB 3.25Å; D499-S528 WeakPolarHBondContact OD1-CB 3.44Å; D499-S528 PolarHBondContact OD1-OG 3.17Å; D499-S528 WeakPolarHBondContact OD2-CB 3.37Å; D499-S531 PolarHBondContact OD1-N 3.01Å; D499-S531 PolarHBondContact OD1-OG 3.47Å; D499-S531 PolarHBondContact OD2-OG 3.33Å
500	N	80.8	Confident	80.7	Confident	76 Å²	76	41.5 Å²	41.5	41%	0.406	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-70.1	-23.9	171.1	-61	76.6	0	0	0	114.3	H498 H502 G514	H498-N500 HydrophobicContact CB-CB 4.48Å; H498-N500 PolarHBondContact O-N 3.42Å; N500-H502 PolarHBondContact O-N 3.21Å; N500-G514 PolarHBondContact OD1-N 2.86Å
501	D	80.8	Confident	80.3	Confident	79 Å²	79	42 Å²	42	42%	0.422	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-73.4	-17.3	173.6	-61.7	-45.5	0	0	0	111.5	N497 H498	N497-D501 HydrophobicContact CB-CB 4.49Å; H498-D501 WeakPolarHBondContact CB-OD2 3.22Å; H498-D501 IonicContact CG-OD2 2.73Å; H498-D501 PolarHBondContact N-OD2 2.91Å; H498-D501 VanDerWaalsContact N-OD2 3.1Å; H498-D501 IonicContact ND1-OD2 2.73Å; H498-D501 WeakPolarHBondContact O-CB 3.46Å; H498-D501 PolarHBondContact O-N 3.26Å
502	H	78.9	Confident	80.2	Confident	42 Å²	42	42 Å²	42	19%	0.194	25%	0.252	C	S	.	.	S	Bend	trans	-103.7	109.9	178.7	-67.2	-88	0	0	0	111	H498 D499 N500 S504 C505 A506 C530 D534	H498-H502 PolarHBondContact O-CD2 2.83Å; D499-H502 PolarHBondContact O-N 2.03Å; N500-H502 PolarHBondContact O-N 3.21Å; H502-S504 PolarHBondContact O-N 3.2Å; H502-C505 HydrophobicContact CB-CB 4.38Å; H502-C505 PolarHBondContact O-N 2.97Å; H502-A506 PolarHBondContact O-N 3.39Å; H502-C530 HydrophobicContact CB-CB 3.76Å; H502-C530 WeakPolarHBondContact CB-SG 3.11Å; H502-D534 IonicContact CD2-OD2 2.71Å; H502-D534 IonicContact CE1-OD1 3.48Å; H502-D534 PolarHBondContact CE1-OD1 3.47Å; H502-D534 VanDerWaalsContact CE1-OD1 3.3Å; H502-D534 IonicContact CE1-OD2 3.14Å; H502-D534 IonicContact NE2-OD1 2.64Å; H502-D534 PolarHBondContact NE2-OD1 3.42Å; H502-D534 IonicContact NE2-OD2 2.7Å; H502-D534 PolarHBondContact NE2-OD2 3.5Å
503	P	71.5	Confident	79.9	Confident	136 Å²	136	41.3 Å²	41.3	88%	0.883	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-6.8	-176.9	-26.7	35.7	0	0	0	116.5
504	S	73.8	Confident	78.6	Confident	101 Å²	101	43.5 Å²	43.5	71%	0.706	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-5.8	177.6	49.8	0	0	0	0	115	H502 C530	H502-S504 PolarHBondContact O-N 3.2Å; S504-C530 PolarHBondContact OG-SG 3.2Å; S504-C530 VanDerWaalsContact OG-SG 3.42Å
505	C	79.7	Confident	77.3	Confident	8 Å²	8	51.3 Å²	51.3	5%	0.054	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130	5.2	-178.5	-63.1	0	0	0	0	113.9	D499 H502 D507 C530	D499-C505 HydrophobicContact CB-CB 4.08Å; D499-C505 CarbonylContact O-C 3.55Å; H502-C505 HydrophobicContact CB-CB 4.38Å; H502-C505 PolarHBondContact O-N 2.97Å; C505-D507 PolarHBondContact O-N 2.99Å; C505-C530 HydrophobicContact CB-CB 3.74Å; C505-C530 WeakPolarHBondContact CB-SG 3.3Å; C505-C530 WeakPolarHBondContact SG-CB 3.34Å; C505-C530 PolarHBondContact SG-N 2.91Å; C505-C530 CovalentContact SG-SG 2.04Å; C505-C530 PolarHBondContact SG-SG 2.98Å
506	A	70.3	Confident	75.7	Confident	57 Å²	57	55.1 Å²	55.1	47%	0.471	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	59.2	-179.2	0	0	0	0	0	113.2	D499 H502	D499-A506 PolarHBondContact O-N 2.95Å; H502-A506 PolarHBondContact O-N 3.39Å
507	D	65.8	Low	74	Confident	90 Å²	90	57.3 Å²	57.3	48%	0.481	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-14.4	178.5	60.9	24.9	0	0	0	114.6	C505 L509 H510	C505-D507 PolarHBondContact O-N 2.99Å; D507-L509 PolarHBondContact OD1-N 3.42Å; D507-L509 VanDerWaalsContact OD1-N 3.1Å; D507-H510 IonicContact OD1-CD2 2.87Å; D507-H510 PolarHBondContact OD1-CD2 3.05Å; D507-H510 VanDerWaalsContact OD1-CD2 3.3Å; D507-H510 IonicContact OD2-CD2 2.8Å; D507-H510 IonicContact OD2-NE2 3.62Å
508	G	59.8	Low	71.8	Confident	31 Å²	31	62.7 Å²	62.7	32%	0.32	35%	0.353	S	S	.	.	S	Bend	trans	78.5	12.5	175.8	0	0	0	0	0	115.1	S513	G508-S513 VanDerWaalsContact C-OG 3.3Å; G508-S513 WeakPolarHBondContact CA-OG 3.46Å
509	L	64	Low	69.5	Low	86 Å²	86	63.6 Å²	63.6	45%	0.45	38%	0.378	S	S	.	.			trans	-107.5	11.4	-175.9	-61.9	175.6	0	0	0	113.2	D507 Q520	D507-L509 PolarHBondContact OD1-N 3.42Å; D507-L509 VanDerWaalsContact OD1-N 3.1Å; L509-Q520 VanDerWaalsContact CD2-NE2 3.33Å
510	H	77.6	Confident	67.6	Low	33 Å²	33	67.7 Å²	67.7	15%	0.153	40%	0.397	C	S	.	.	B	Isolated β-bridge	trans	-125.8	153.8	-166.9	-73.3	-49.8	0	0	0	114	D499 D507 M512 S513 S526 S528	D499-H510 WeakPolarHBondContact OD2-CB 3.43Å; D507-H510 IonicContact OD1-CD2 2.87Å; D507-H510 PolarHBondContact OD1-CD2 3.05Å; D507-H510 VanDerWaalsContact OD1-CD2 3.3Å; D507-H510 IonicContact OD2-CD2 2.8Å; D507-H510 IonicContact OD2-NE2 3.62Å; H510-M512 PolarHBondContact O-N 3Å; H510-M512 VanDerWaalsContact O-N 3.08Å; H510-S513 PolarHBondContact N-OG 2.9Å; H510-S513 VanDerWaalsContact N-OG 3.15Å; H510-S513 VanDerWaalsContact O-CB 3.24Å; H510-S513 WeakPolarHBondContact O-CB 3.19Å; H510-S513 PolarHBondContact O-N 3.25Å; H510-S513 PolarHBondContact O-OG 3.09Å; H510-S526 CarbonylContact C-O 3.49Å; H510-S526 WeakPolarHBondContact CA-O 3.44Å; H510-S526 WeakPolarHBondContact CB-O 3.4Å; H510-S526 PolarHBondContact CE1-OG 2.92Å; H510-S526 PolarHBondContact ND1-O 3.21Å; H510-S526 PolarHBondContact ND1-OG 2.88Å; H510-S528 WeakPolarHBondContact CD2-CB 3.42Å
511	I	82.5	Confident	65.8	Low	10 Å²	10	67.4 Å²	67.4	5%	0.051	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-32.2	-173.9	-67.4	167.6	0	0	0	112.8	L366 A487 H488 V525 S526 W527	L366-I511 HydrophobicContact CB-CD1 4.39Å; L366-I511 HydrophobicContact CD2-CD1 4.17Å; A487-I511 HydrophobicContact CB-CG2 4.24Å; H488-I511 PolarHBondContact ND1-O 3.29Å; I511-V525 HydrophobicContact CD1-CG1 4.47Å; I511-V525 HydrophobicContact CG1-CG1 3.65Å; I511-S526 PolarHBondContact N-O 2.78Å; I511-W527 HydrophobicContact CB-CD2 4.15Å; I511-W527 HydrophobicContact CB-CE3 3.97Å; I511-W527 HydrophobicContact CB-CZ3 4.19Å; I511-W527 HydrophobicContact CD1-CD2 3.76Å; I511-W527 HydrophobicContact CD1-CE3 4.43Å; I511-W527 HydrophobicContact CD1-CG 3.93Å; I511-W527 HydrophobicContact CD1-CZ2 4Å; I511-W527 HydrophobicContact CG2-CD2 4.37Å; I511-W527 HydrophobicContact CG2-CE3 3.99Å; I511-W527 HydrophobicContact CG2-CH2 3.73Å; I511-W527 HydrophobicContact CG2-CZ2 4.12Å; I511-W527 HydrophobicContact CG2-CZ3 3.67Å
512	M	86.1	Confident	64	Low	0 Å²	0	68.2 Å²	68.2	0%	0	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	21.2	178.4	-56.9	-62.2	-53.8	0	0	113.3	H488 I496 H498 D499 H510 G514 W527 S531	H488-M512 HydrophobicContact CB-SD 4.46Å; H488-M512 WeakPolarHBondContact O-CE 3.47Å; I496-M512 HydrophobicContact CB-CE 4.29Å; I496-M512 HydrophobicContact CB-CG 4.49Å; I496-M512 HydrophobicContact CG2-CB 4.44Å; I496-M512 HydrophobicContact CG2-CE 4.27Å; I496-M512 HydrophobicContact CG2-CG 3.71Å; I496-M512 HydrophobicContact CG2-SD 4.37Å; H498-M512 CarbonylContact C-O 3.6Å; H498-M512 WeakPolarHBondContact CA-O 3.28Å; D499-M512 PolarHBondContact N-O 2.87Å; D499-M512 WeakPolarHBondContact OD2-CB 3.45Å; D499-M512 PolarHBondContact OD2-N 2.8Å; H510-M512 PolarHBondContact O-N 3Å; H510-M512 VanDerWaalsContact O-N 3.08Å; M512-G514 PolarHBondContact O-N 2.82Å; M512-W527 HydrophobicContact CG-CE3 4.07Å; M512-W527 HydrophobicContact CG-CZ3 3.89Å; M512-W527 HydrophobicContact SD-CZ3 3.82Å; M512-S531 WeakPolarHBondContact CB-OG 3.43Å; M512-S531 VanDerWaalsContact CG-OG 3.27Å; M512-S531 WeakPolarHBondContact CG-OG 3.14Å
513	S	82.6	Confident	62.1	Low	7 Å²	7	69.7 Å²	69.7	5%	0.049	43%	0.426	C	S	.	.			trans	-63.1	133.1	171.1	-57	0	0	0	0	110.2	H488 G508 H510 E515	H488-S513 PolarHBondContact CE1-O 2.81Å; G508-S513 VanDerWaalsContact C-OG 3.3Å; G508-S513 WeakPolarHBondContact CA-OG 3.46Å; H510-S513 PolarHBondContact N-OG 2.9Å; H510-S513 VanDerWaalsContact N-OG 3.15Å; H510-S513 VanDerWaalsContact O-CB 3.24Å; H510-S513 WeakPolarHBondContact O-CB 3.19Å; H510-S513 PolarHBondContact O-N 3.25Å; H510-S513 PolarHBondContact O-OG 3.09Å; S513-E515 PolarHBondContact O-N 2.82Å
514	G	64.6	Low	61	Low	47 Å²	47	68.6 Å²	68.6	49%	0.485	41%	0.413	S	S	.	.	S	Bend	trans	-77.9	5.7	-179.8	0	0	0	0	0	114.8	N500 M512	N500-G514 PolarHBondContact OD1-N 2.86Å; M512-G514 PolarHBondContact O-N 2.82Å
515	E	64.5	Low	60.5	Low	164 Å²	164	64.2 Å²	64.2	77%	0.766	38%	0.382	S	S	*	.	S	Bend	trans	-128.2	139	170.3	-173.9	170.3	-167.2	0	0	108.6	S513 I517	S513-E515 PolarHBondContact O-N 2.82Å; E515-I517 PolarHBondContact O-N 3.42Å
516	W	54.7	Low	60.3	Low	87 Å²	87	65 Å²	65	33%	0.33	39%	0.388	S	S	.	.			trans	-71.8	125.1	-169.7	179.8	-104.8	0	0	0	112.6	V457 N478 N481 F484 T485 K518	V457-W516 HydrophobicContact CG2-CD2 4.38Å; V457-W516 HydrophobicContact CG2-CE3 3.74Å; V457-W516 HydrophobicContact CG2-CH2 4.31Å; V457-W516 HydrophobicContact CG2-CZ3 3.72Å; N478-W516 VanDerWaalsContact ND2-CH2 3.35Å; N478-W516 WeakPolarHBondContact ND2-CH2 3.28Å; N478-W516 VanDerWaalsContact ND2-CZ2 3.29Å; N478-W516 WeakPolarHBondContact ND2-CZ2 3.07Å; N481-W516 HydrophobicContact CB-CH2 3.88Å; N481-W516 HydrophobicContact CB-CZ2 3.48Å; N481-W516 VanDerWaalsContact CB-CZ2 3.48Å; F484-W516 HydrophobicContact CB-CH2 4.37Å; F484-W516 HydrophobicContact CB-CZ3 4.46Å; T485-W516 VanDerWaalsContact OG1-CH2 3.28Å; T485-W516 WeakPolarHBondContact OG1-CH2 3.35Å; T485-W516 WeakPolarHBondContact OG1-CZ3 3.46Å; W516-K518 PolarHBondContact O-N 3.01Å
517	I	54	Low	61	Low	45 Å²	45	62.4 Å²	62.4	23%	0.231	37%	0.366	C	S	.	.			trans	-72.5	87	-175.8	-51.3	178	0	0	0	110.6	E515 Q520 V525	E515-I517 PolarHBondContact O-N 3.42Å; I517-Q520 HydrophobicContact CG2-CB 3.95Å; I517-Q520 HydrophobicContact CG2-CG 3.76Å; I517-V525 HydrophobicContact CD1-CG1 4.35Å
518	K	41.4	Very low	62	Low	160 Å²	160	58.2 Å²	58.2	70%	0.696	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	120.8	177.5	-66.5	178.6	-177.8	176.5	0	110.8	W516	W516-K518 PolarHBondContact O-N 3.01Å
519	G	41.3	Very low	63.1	Low	77 Å²	77	66.7 Å²	66.7	79%	0.794	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	25.8	163.9	0	0	0	0	0	117.6
520	Q	44.3	Very low	64.2	Low	85 Å²	85	62.9 Å²	62.9	40%	0.397	35%	0.346	S	S	.	.			trans	-101.5	153.2	170.3	-67.1	-171.6	3.2	0	0	112.2	L509 I517	L509-Q520 VanDerWaalsContact CD2-NE2 3.33Å; I517-Q520 HydrophobicContact CG2-CB 3.95Å; I517-Q520 HydrophobicContact CG2-CG 3.76Å
521	N	43.7	Very low	64.7	Low	70 Å²	70	61.3 Å²	61.3	37%	0.374	34%	0.339	S	S	.	.			trans	-72.7	144.1	180	-74.4	-56	0	0	0	111.9	G523 D524	N521-G523 PolarHBondContact O-N 2.86Å; N521-D524 PolarHBondContact O-N 3.47Å; N521-D524 VanDerWaalsContact O-N 3.09Å
522	L	42.5	Very low	65	Low	96 Å²	96	64 Å²	64	50%	0.503	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-16.8	178.4	-80.1	158	0	0	0	115.4	M362 F484	M362-L522 HydrophobicContact CE-CD1 4.35Å; M362-L522 HydrophobicContact CE-CD2 3.62Å; F484-L522 HydrophobicContact CE2-CD2 3.58Å; F484-L522 HydrophobicContact CE2-CG 4.48Å; F484-L522 HydrophobicContact CZ-CD2 3.72Å
523	G	40.1	Very low	65	Low	73 Å²	73	69.9 Å²	69.9	75%	0.753	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-15	-179.9	0	0	0	0	0	115.9	N521	N521-G523 PolarHBondContact O-N 2.86Å
524	D	48.1	Very low	65.3	Low	113 Å²	113	69.6 Å²	69.6	60%	0.604	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-15.4	-171.7	-62.4	-48.4	0	0	0	113.4	N521	N521-D524 PolarHBondContact O-N 3.47Å; N521-D524 VanDerWaalsContact O-N 3.09Å
525	V	62	Low	66.4	Low	10 Å²	10	67.4 Å²	67.4	6%	0.061	35%	0.353	C	S	.	.			trans	-79	134.4	-172.7	-175.7	0	0	0	0	111.8	F484 I511 I517	F484-V525 HydrophobicContact CD1-CG1 4.03Å; F484-V525 HydrophobicContact CE1-CB 3.64Å; F484-V525 HydrophobicContact CE1-CG1 3.54Å; F484-V525 HydrophobicContact CE1-CG2 3.94Å; F484-V525 HydrophobicContact CZ-CB 3.91Å; F484-V525 HydrophobicContact CZ-CG1 4.21Å; F484-V525 HydrophobicContact CZ-CG2 3.73Å; I511-V525 HydrophobicContact CD1-CG1 4.47Å; I511-V525 HydrophobicContact CG1-CG1 3.65Å; I517-V525 HydrophobicContact CD1-CG1 4.35Å
526	S	76.8	Confident	67.4	Low	25 Å²	25	61.8 Å²	61.8	18%	0.175	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-145.2	159.6	-172.9	63.4	0	0	0	0	114	H369 H510 I511	H369-S526 VanDerWaalsContact CE1-CB 3.47Å; H369-S526 WeakPolarHBondContact CE1-CB 3.45Å; H510-S526 CarbonylContact C-O 3.49Å; H510-S526 WeakPolarHBondContact CA-O 3.44Å; H510-S526 WeakPolarHBondContact CB-O 3.4Å; H510-S526 PolarHBondContact CE1-OG 2.92Å; H510-S526 PolarHBondContact ND1-O 3.21Å; H510-S526 PolarHBondContact ND1-OG 2.88Å; I511-S526 PolarHBondContact N-O 2.78Å
527	W	85.1	Confident	68.9	Low	2 Å²	2	64 Å²	64	1%	0.008	34%	0.335	C	S	.	.			trans	-74.1	143.3	169.1	-54.4	90.4	0	0	0	111.4	L366 F367 S371 L372 A487 I496 I511 M512	L366-W527 PolarHBondContact O-NE1 2.93Å; F367-W527 HydrophobicContact CD1-CH2 4.09Å; F367-W527 AromaticContact CD1-CZ2 3.55Å; F367-W527 HydrophobicContact CD1-CZ2 3.55Å; F367-W527 AromaticContact CE1-CH2 3.31Å; F367-W527 HydrophobicContact CE1-CH2 3.31Å; F367-W527 AromaticContact CE1-CZ2 3.25Å; F367-W527 HydrophobicContact CE1-CZ2 3.25Å; F367-W527 HydrophobicContact CE1-CZ3 4.41Å; F367-W527 HydrophobicContact CG-CZ2 4.29Å; F367-W527 AromaticContact CZ-CH2 3.66Å; F367-W527 HydrophobicContact CZ-CH2 3.66Å; F367-W527 AromaticContact CZ-CZ2 3.8Å; F367-W527 HydrophobicContact CZ-CZ2 3.8Å; S371-W527 WeakPolarHBondContact CB-O 3.42Å; S371-W527 WeakPolarHBondContact OG-CA 2.96Å; S371-W527 WeakPolarHBondContact OG-CB 3.02Å; S371-W527 PolarHBondContact OG-N 3.27Å; S371-W527 PolarHBondContact OG-O 3.05Å; L372-W527 HydrophobicContact CB-CB 4.3Å; L372-W527 HydrophobicContact CB-CG 3.92Å; L372-W527 HydrophobicContact CD1-CB 4.18Å; L372-W527 HydrophobicContact CD1-CD2 3.79Å; L372-W527 HydrophobicContact CD1-CE3 4.07Å; L372-W527 HydrophobicContact CD1-CG 3.84Å; L372-W527 HydrophobicContact CD2-CD2 4.38Å; L372-W527 HydrophobicContact CD2-CZ2 4.42Å; L372-W527 HydrophobicContact CG-CD2 4.47Å; L372-W527 HydrophobicContact CG-CG 4.33Å; A487-W527 HydrophobicContact CB-CH2 4.41Å; A487-W527 HydrophobicContact CB-CZ2 4.43Å; A487-W527 WeakPolarHBondContact O-CH2 3.04Å; I496-W527 HydrophobicContact CD1-CE3 4.39Å; I496-W527 HydrophobicContact CD1-CZ3 4.03Å; I511-W527 HydrophobicContact CB-CD2 4.15Å; I511-W527 HydrophobicContact CB-CE3 3.97Å; I511-W527 HydrophobicContact CB-CZ3 4.19Å; I511-W527 HydrophobicContact CD1-CD2 3.76Å; I511-W527 HydrophobicContact CD1-CE3 4.43Å; I511-W527 HydrophobicContact CD1-CG 3.93Å; I511-W527 HydrophobicContact CD1-CZ2 4Å; I511-W527 HydrophobicContact CG2-CD2 4.37Å; I511-W527 HydrophobicContact CG2-CE3 3.99Å; I511-W527 HydrophobicContact CG2-CH2 3.73Å; I511-W527 HydrophobicContact CG2-CZ2 4.12Å; I511-W527 HydrophobicContact CG2-CZ3 3.67Å; M512-W527 HydrophobicContact CG-CE3 4.07Å; M512-W527 HydrophobicContact CG-CZ3 3.89Å; M512-W527 HydrophobicContact SD-CZ3 3.82Å
528	S	86.1	Confident	70.5	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.014	33%	0.326	C	S	.	.			trans	-75.3	174.8	174.4	95.7	0	0	0	0	112.9	D499 H510 C530 S531 K532	D499-S528 VanDerWaalsContact CG-CB 3.5Å; D499-S528 VanDerWaalsContact CG-OG 3.23Å; D499-S528 VanDerWaalsContact OD1-CB 3.25Å; D499-S528 WeakPolarHBondContact OD1-CB 3.44Å; D499-S528 PolarHBondContact OD1-OG 3.17Å; D499-S528 WeakPolarHBondContact OD2-CB 3.37Å; H510-S528 WeakPolarHBondContact CD2-CB 3.42Å; S528-C530 PolarHBondContact OG-N 2.97Å; S528-S531 PolarHBondContact OG-N 2.9Å; S528-K532 PolarHBondContact O-N 2.81Å
529	R	82.8	Confident	72.6	Confident	209 Å²	209	55.1 Å²	55.1	79%	0.789	30%	0.295	S	S	*	.	H	α-helix	trans	-67.4	-37.1	169.6	-62.7	-178	-176.8	-179.6	2.6	112.4	K532 E533	R529-K532 WeakPolarHBondContact O-CB 3.41Å; R529-K532 PolarHBondContact O-N 2.87Å; R529-E533 WeakPolarHBondContact O-CG 3.37Å; R529-E533 PolarHBondContact O-N 3.42Å
530	C	87.1	Confident	74.5	Confident	6 Å²	6	58.1 Å²	58.1	4%	0.041	28%	0.282	C	S	.	.	H	α-helix	trans	-70.7	-40.6	179.5	-54.2	0	0	0	0	110.8	H502 S504 C505 S528 K532 E533 D534	H502-C530 HydrophobicContact CB-CB 3.76Å; H502-C530 WeakPolarHBondContact CB-SG 3.11Å; S504-C530 PolarHBondContact OG-SG 3.2Å; S504-C530 VanDerWaalsContact OG-SG 3.42Å; C505-C530 HydrophobicContact CB-CB 3.74Å; C505-C530 WeakPolarHBondContact CB-SG 3.3Å; C505-C530 WeakPolarHBondContact SG-CB 3.34Å; C505-C530 PolarHBondContact SG-N 2.91Å; C505-C530 CovalentContact SG-SG 2.04Å; C505-C530 PolarHBondContact SG-SG 2.98Å; S528-C530 PolarHBondContact OG-N 2.97Å; C530-K532 VanDerWaalsContact C-N 3.28Å; C530-K532 PolarHBondContact O-N 3.38Å; C530-E533 PolarHBondContact O-N 3.49Å; C530-E533 VanDerWaalsContact O-N 3.12Å; C530-D534 PolarHBondContact O-N 3.23Å
531	S	89.1	Confident	76.3	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-51.5	-47.5	170.3	-75.1	0	0	0	0	111.9	D499 M512 S528 L535	D499-S531 PolarHBondContact OD1-N 3.01Å; D499-S531 PolarHBondContact OD1-OG 3.47Å; D499-S531 PolarHBondContact OD2-OG 3.33Å; M512-S531 WeakPolarHBondContact CB-OG 3.43Å; M512-S531 VanDerWaalsContact CG-OG 3.27Å; M512-S531 WeakPolarHBondContact CG-OG 3.14Å; S528-S531 PolarHBondContact OG-N 2.9Å; S531-L535 PolarHBondContact O-N 2.7Å; S531-L535 VanDerWaalsContact O-N 3.11Å
532	K	88.4	Confident	77.8	Confident	65 Å²	65	61.7 Å²	61.7	28%	0.283	30%	0.299	S	S	.	.	H	α-helix	trans	-63	-47.4	174.5	166	172.7	-177.3	-179.3	0	113	L372 S528 R529 C530 D534 L535 E536	L372-K532 WeakPolarHBondContact O-CD 3.4Å; L372-K532 VanDerWaalsContact O-CG 3.24Å; L372-K532 WeakPolarHBondContact O-CG 3.29Å; S528-K532 PolarHBondContact O-N 2.81Å; R529-K532 WeakPolarHBondContact O-CB 3.41Å; R529-K532 PolarHBondContact O-N 2.87Å; C530-K532 VanDerWaalsContact C-N 3.28Å; C530-K532 PolarHBondContact O-N 3.38Å; K532-D534 VanDerWaalsContact C-N 3.29Å; K532-D534 PolarHBondContact O-N 3.43Å; K532-L535 PolarHBondContact O-N 2.95Å; K532-E536 WeakPolarHBondContact CE-OE1 3.12Å; K532-E536 IonicContact NZ-OE1 3.15Å; K532-E536 PolarHBondContact O-N 2.82Å
533	E	85.4	Confident	79.4	Confident	125 Å²	125	59.1 Å²	59.1	58%	0.584	29%	0.292	S	S	*	.	H	α-helix	trans	-66	-32	-177	-75.9	-175.9	-153.8	0	0	112.8	R529 C530 R537	R529-E533 WeakPolarHBondContact O-CG 3.37Å; R529-E533 PolarHBondContact O-N 3.42Å; C530-E533 PolarHBondContact O-N 3.49Å; C530-E533 VanDerWaalsContact O-N 3.12Å; E533-R537 PolarHBondContact O-N 2.97Å
534	D	88.5	Confident	81.4	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-70.5	-46.3	172.4	-74.1	-3.2	0	0	0	111.8	I496 N497 H502 C530 K532 E536 R537 F538	I496-D534 HydrophobicContact CB-CB 4.38Å; I496-D534 HydrophobicContact CG2-CB 4.16Å; N497-D534 PolarHBondContact N-OD2 3.02Å; N497-D534 VanDerWaalsContact N-OD2 3.13Å; N497-D534 PolarHBondContact ND2-OD2 3.02Å; H502-D534 IonicContact CD2-OD2 2.71Å; H502-D534 IonicContact CE1-OD1 3.48Å; H502-D534 PolarHBondContact CE1-OD1 3.47Å; H502-D534 VanDerWaalsContact CE1-OD1 3.3Å; H502-D534 IonicContact CE1-OD2 3.14Å; H502-D534 IonicContact NE2-OD1 2.64Å; H502-D534 PolarHBondContact NE2-OD1 3.42Å; H502-D534 IonicContact NE2-OD2 2.7Å; H502-D534 PolarHBondContact NE2-OD2 3.5Å; C530-D534 PolarHBondContact O-N 3.23Å; K532-D534 VanDerWaalsContact C-N 3.29Å; K532-D534 PolarHBondContact O-N 3.43Å; D534-E536 PolarHBondContact O-N 3.44Å; D534-R537 WeakPolarHBondContact O-CA 3.15Å; D534-R537 VanDerWaalsContact O-CB 3.24Å; D534-R537 WeakPolarHBondContact O-CB 3.28Å; D534-R537 PolarHBondContact O-N 2.04Å; D534-R537 IonicContact OD1-CZ 2.6Å; D534-R537 IonicContact OD1-NH1 3.75Å; D534-R537 PolarHBondContact OD1-NH1 2.8Å; D534-R537 IonicContact OD1-NH2 3.91Å; D534-R537 PolarHBondContact OD1-NH2 3.15Å; D534-F538 PolarHBondContact O-N 3.42Å
535	L	88.8	Confident	82.8	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-59	-46.4	174.8	179.6	63.3	0	0	0	111.5	L372 V376 M494 I496 S531 K532 R537 F538 L539	L372-L535 HydrophobicContact CD1-CB 4.47Å; L372-L535 HydrophobicContact CD1-CD2 3.58Å; L372-L535 HydrophobicContact CD2-CD2 3.84Å; L372-L535 HydrophobicContact CG-CD2 3.65Å; V376-L535 HydrophobicContact CG2-CD2 4.27Å; M494-L535 HydrophobicContact CB-CD1 3.75Å; M494-L535 HydrophobicContact CE-CD1 4.18Å; M494-L535 HydrophobicContact CG-CD1 4.42Å; M494-L535 HydrophobicContact SD-CD1 3.91Å; I496-L535 HydrophobicContact CD1-CB 3.95Å; I496-L535 HydrophobicContact CG1-CB 4Å; S531-L535 PolarHBondContact O-N 2.7Å; S531-L535 VanDerWaalsContact O-N 3.11Å; K532-L535 PolarHBondContact O-N 2.95Å; L535-R537 PolarHBondContact O-N 3.26Å; L535-F538 PolarHBondContact O-N 3.3Å; L535-L539 HydrophobicContact CD1-CD1 3.95Å; L535-L539 HydrophobicContact CD1-CD2 4.36Å; L535-L539 HydrophobicContact CD1-CG 3.91Å; L535-L539 HydrophobicContact CD2-CD1 4.25Å; L535-L539 HydrophobicContact CG-CD1 3.75Å; L535-L539 HydrophobicContact CG-CG 4.13Å; L535-L539 WeakPolarHBondContact O-CB 3.46Å; L535-L539 VanDerWaalsContact O-CG 3.31Å; L535-L539 WeakPolarHBondContact O-CG 3.45Å; L535-L539 PolarHBondContact O-N 3.44Å
536	E	85.6	Confident	83.5	Confident	46 Å²	46	55.3 Å²	55.3	22%	0.215	26%	0.256	C	S	.	.	H	α-helix	trans	-58.4	-29.1	174.7	-79.9	-164.3	-156.7	0	0	112.1	L327 V374 K532 D534 R540	L327-E536 HydrophobicContact CD1-CB 4.39Å; L327-E536 HydrophobicContact CD1-CG 4.19Å; V374-E536 HydrophobicContact CG2-CG 4.13Å; K532-E536 WeakPolarHBondContact CE-OE1 3.12Å; K532-E536 IonicContact NZ-OE1 3.15Å; K532-E536 PolarHBondContact O-N 2.82Å; D534-E536 PolarHBondContact O-N 3.44Å; E536-R540 WeakPolarHBondContact O-CB 3.43Å; E536-R540 WeakPolarHBondContact O-CD 3.41Å; E536-R540 WeakPolarHBondContact O-CG 3.16Å; E536-R540 PolarHBondContact O-N 3.25Å; E536-R540 PolarHBondContact O-NE 3.48Å; E536-R540 IonicContact OE2-CZ 3.3Å; E536-R540 IonicContact OE2-NE 2.7Å; E536-R540 IonicContact OE2-NH2 3.13Å; E536-R540 PolarHBondContact OE2-NH2 3.03Å
537	R	85.8	Confident	83.5	Confident	135 Å²	135	54.2 Å²	54.2	51%	0.509	25%	0.248	S	C	.	.	H	α-helix	trans	-74.8	-42.3	176.5	-158.3	-176.8	-50.6	112	12.3	112	E533 D534 L535 R540 S541	E533-R537 PolarHBondContact O-N 2.97Å; D534-R537 WeakPolarHBondContact O-CA 3.15Å; D534-R537 VanDerWaalsContact O-CB 3.24Å; D534-R537 WeakPolarHBondContact O-CB 3.28Å; D534-R537 PolarHBondContact O-N 2.04Å; D534-R537 IonicContact OD1-CZ 2.6Å; D534-R537 IonicContact OD1-NH1 3.75Å; D534-R537 PolarHBondContact OD1-NH1 2.8Å; D534-R537 IonicContact OD1-NH2 3.91Å; D534-R537 PolarHBondContact OD1-NH2 3.15Å; L535-R537 PolarHBondContact O-N 3.26Å; R537-R540 PolarHBondContact O-N 2.97Å; R537-S541 PolarHBondContact O-N 3.33Å
538	F	88	Confident	82.7	Confident	10 Å²	10	58 Å²	58	4%	0.044	27%	0.268	C	S	.	.	H	α-helix	trans	-63.1	-46.4	173.6	172.7	-99.1	0	0	0	111.7	M465 M494 D534 L535 R540 S541 A543 L547	M465-F538 HydrophobicContact CB-CE1 4.33Å; M465-F538 HydrophobicContact CB-CZ 3.81Å; M465-F538 HydrophobicContact CG-CE1 4.38Å; M465-F538 HydrophobicContact CG-CZ 4.2Å; M494-F538 HydrophobicContact CB-CD1 4.16Å; M494-F538 HydrophobicContact CB-CE1 4.33Å; M494-F538 HydrophobicContact CG-CE1 4.43Å; M494-F538 WeakPolarHBondContact O-CB 3.34Å; M494-F538 WeakPolarHBondContact O-CD1 3.49Å; M494-F538 WeakPolarHBondContact O-CG 3.48Å; D534-F538 PolarHBondContact O-N 3.42Å; L535-F538 PolarHBondContact O-N 3.3Å; F538-R540 PolarHBondContact O-N 2.85Å; F538-S541 WeakPolarHBondContact O-CA 3.42Å; F538-S541 WeakPolarHBondContact O-CB 3.49Å; F538-S541 PolarHBondContact O-N 3.48Å; F538-S541 PolarHBondContact O-OG 3.12Å; F538-A543 HydrophobicContact CD2-CB 4.33Å; F538-A543 HydrophobicContact CE2-CB 3.65Å; F538-A543 HydrophobicContact CZ-CB 4.25Å; F538-L547 HydrophobicContact CE1-CD1 4.2Å
539	L	85.3	Confident	81.3	Confident	7 Å²	7	65.8 Å²	65.8	4%	0.037	30%	0.304	C	S	.	.	H	α-helix	trans	-66	-24.5	-178.8	-64.9	176.9	0	0	0	113.3	L327 Y331 V374 L535 S541 S544 L547	L327-L539 HydrophobicContact CD2-CB 4Å; Y331-L539 HydrophobicContact CD1-CD2 3.81Å; Y331-L539 HydrophobicContact CD2-CD1 3.96Å; Y331-L539 HydrophobicContact CD2-CD2 4.38Å; Y331-L539 HydrophobicContact CE1-CB 4.37Å; Y331-L539 HydrophobicContact CE1-CD2 3.86Å; Y331-L539 HydrophobicContact CE1-CG 4.48Å; Y331-L539 HydrophobicContact CE2-CD1 3.77Å; Y331-L539 HydrophobicContact CE2-CD2 4.47Å; Y331-L539 HydrophobicContact CG-CD1 4.48Å; Y331-L539 HydrophobicContact CG-CD2 4.09Å; V374-L539 HydrophobicContact CB-CD1 4.39Å; V374-L539 HydrophobicContact CG1-CD1 3.83Å; V374-L539 HydrophobicContact CG2-CD1 4.43Å; L535-L539 HydrophobicContact CD1-CD1 3.95Å; L535-L539 HydrophobicContact CD1-CD2 4.36Å; L535-L539 HydrophobicContact CD1-CG 3.91Å; L535-L539 HydrophobicContact CD2-CD1 4.25Å; L535-L539 HydrophobicContact CG-CD1 3.75Å; L535-L539 HydrophobicContact CG-CG 4.13Å; L535-L539 WeakPolarHBondContact O-CB 3.46Å; L535-L539 VanDerWaalsContact O-CG 3.31Å; L535-L539 WeakPolarHBondContact O-CG 3.45Å; L535-L539 PolarHBondContact O-N 3.44Å; L539-S541 VanDerWaalsContact C-N 3.33Å; L539-S544 PolarHBondContact O-OG 2.72Å; L539-L547 HydrophobicContact CD2-CD1 4.08Å
540	R	81.6	Confident	79.8	Confident	140 Å²	140	58.1 Å²	58.1	53%	0.528	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-10.9	170.4	-68.9	165.2	-157.5	-70.9	2.5	113.8	L327 E536 R537 F538	L327-R540 HydrophobicContact CD1-CG 4.13Å; L327-R540 HydrophobicContact CD2-CG 3.77Å; L327-R540 HydrophobicContact CG-CG 4.11Å; E536-R540 WeakPolarHBondContact O-CB 3.43Å; E536-R540 WeakPolarHBondContact O-CD 3.41Å; E536-R540 WeakPolarHBondContact O-CG 3.16Å; E536-R540 PolarHBondContact O-N 3.25Å; E536-R540 PolarHBondContact O-NE 3.48Å; E536-R540 IonicContact OE2-CZ 3.3Å; E536-R540 IonicContact OE2-NE 2.7Å; E536-R540 IonicContact OE2-NH2 3.13Å; E536-R540 PolarHBondContact OE2-NH2 3.03Å; R537-R540 PolarHBondContact O-N 2.97Å; F538-R540 PolarHBondContact O-N 2.85Å
541	S	82.1	Confident	77.8	Confident	45 Å²	45	60 Å²	60	32%	0.315	29%	0.29	S	S	.	.	S	Bend	trans	-86	166	-179.1	86.1	0	0	0	0	111.7	R537 F538 L539 A543 S544	R537-S541 PolarHBondContact O-N 3.33Å; F538-S541 WeakPolarHBondContact O-CA 3.42Å; F538-S541 WeakPolarHBondContact O-CB 3.49Å; F538-S541 PolarHBondContact O-N 3.48Å; F538-S541 PolarHBondContact O-OG 3.12Å; L539-S541 VanDerWaalsContact C-N 3.33Å; S541-A543 PolarHBondContact O-N 3.3Å; S541-A543 WeakPolarHBondContact OG-CB 3.47Å; S541-A543 PolarHBondContact OG-N 2.92Å; S541-A543 VanDerWaalsContact OG-N 3.11Å; S541-S544 PolarHBondContact O-OG 3.03Å
542	K	75.4	Confident	75.3	Confident	185 Å²	185	65.6 Å²	65.6	80%	0.804	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-72.3	-9.6	172.2	-67.4	-174.4	178.5	-176.4	0	113.6	N545	K542-N545 VanDerWaalsContact O-CG 3.31Å; K542-N545 PolarHBondContact O-ND2 2.91Å; K542-N545 VanDerWaalsContact O-ND2 3.13Å
543	A	76.1	Confident	72.8	Confident	43 Å²	43	67.6 Å²	67.6	36%	0.355	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-72.4	-32.4	179.4	0	0	0	0	0	111.8	C466 F538 S541 N545	C466-A543 WeakPolarHBondContact CB-O 3.07Å; C466-A543 PolarHBondContact SG-O 3.34Å; F538-A543 HydrophobicContact CD2-CB 4.33Å; F538-A543 HydrophobicContact CE2-CB 3.65Å; F538-A543 HydrophobicContact CZ-CB 4.25Å; S541-A543 PolarHBondContact O-N 3.3Å; S541-A543 WeakPolarHBondContact OG-CB 3.47Å; S541-A543 PolarHBondContact OG-N 2.92Å; S541-A543 VanDerWaalsContact OG-N 3.11Å; A543-N545 PolarHBondContact O-N 2.96Å; A543-N545 VanDerWaalsContact O-N 3.16Å
544	S	81	Confident	70.6	Confident	1 Å²	1	62 Å²	62	1%	0.007	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-72.2	-2.8	-179.9	62.8	0	0	0	0	115.2	L539 S541 C546 L547	L539-S544 PolarHBondContact O-OG 2.72Å; S541-S544 PolarHBondContact O-OG 3.03Å; S544-C546 PolarHBondContact O-N 3.02Å; S544-C546 VanDerWaalsContact O-N 3.07Å; S544-L547 WeakPolarHBondContact O-CB 3.46Å; S544-L547 PolarHBondContact O-N 2.89Å
545	N	78.5	Confident	68	Low	86 Å²	86	66 Å²	66	46%	0.46	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-60.5	-23.2	-167.1	-80.7	-17.6	0	0	0	115.2	K542 A543 L547	K542-N545 VanDerWaalsContact O-CG 3.31Å; K542-N545 PolarHBondContact O-ND2 2.91Å; K542-N545 VanDerWaalsContact O-ND2 3.13Å; A543-N545 PolarHBondContact O-N 2.96Å; A543-N545 VanDerWaalsContact O-N 3.16Å; N545-L547 VanDerWaalsContact C-N 3.34Å
546	C	77	Confident	65.1	Low	29 Å²	29	71.6 Å²	71.6	20%	0.196	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-67	-37.5	176.1	74.3	0	0	0	0	111.9	D436 C466 S544 L548 Q549	D436-C546 VanDerWaalsContact CG-SG 3.51Å; D436-C546 WeakPolarHBondContact OD1-CB 3.1Å; D436-C546 PolarHBondContact OD1-SG 2.69Å; C466-C546 WeakPolarHBondContact CA-SG 3.3Å; C466-C546 HydrophobicContact CB-CB 3.68Å; C466-C546 WeakPolarHBondContact CB-SG 3.17Å; C466-C546 WeakPolarHBondContact SG-CB 3.07Å; C466-C546 PolarHBondContact SG-N 2.78Å; C466-C546 VanDerWaalsContact SG-N 3.42Å; C466-C546 CovalentContact SG-SG 2.02Å; C466-C546 PolarHBondContact SG-SG 3.4Å; S544-C546 PolarHBondContact O-N 3.02Å; S544-C546 VanDerWaalsContact O-N 3.07Å; C546-L548 PolarHBondContact O-N 3.3Å; C546-Q549 PolarHBondContact O-N 2.92Å
547	L	76.8	Confident	62.2	Low	2 Å²	2	71.6 Å²	71.6	1%	0.01	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-66.6	-4.5	-176	-49.5	-177.3	0	0	0	114.3	Y331 N332 I333 D436 M465 F538 L539 S544 N545	Y331-L547 HydrophobicContact CD1-CB 3.99Å; N332-L547 PolarHBondContact N-O 2.98Å; N332-L547 VanDerWaalsContact O-CA 3.29Å; N332-L547 WeakPolarHBondContact O-CA 3.47Å; N332-L547 WeakPolarHBondContact O-CB 3.21Å; N332-L547 VanDerWaalsContact O-CD2 3.3Å; N332-L547 WeakPolarHBondContact O-CD2 3.25Å; I333-L547 HydrophobicContact CB-CD2 4.37Å; I333-L547 HydrophobicContact CG1-CD2 3.77Å; D436-L547 HydrophobicContact CB-CD2 4.02Å; M465-L547 HydrophobicContact CG-CD1 4.12Å; M465-L547 HydrophobicContact CG-CD2 4.02Å; M465-L547 HydrophobicContact CG-CG 4.42Å; M465-L547 HydrophobicContact SD-CD2 4Å; F538-L547 HydrophobicContact CE1-CD1 4.2Å; L539-L547 HydrophobicContact CD2-CD1 4.08Å; S544-L547 WeakPolarHBondContact O-CB 3.46Å; S544-L547 PolarHBondContact O-N 2.89Å; N545-L547 VanDerWaalsContact C-N 3.34Å
548	L	67.6	Low	59.4	Low	82 Å²	82	66.1 Å²	66.1	43%	0.429	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-100.3	-4.3	176	-60.9	177.7	0	0	0	113.1	P328 Y331 C546	P328-L548 HydrophobicContact CB-CD2 4.14Å; P328-L548 HydrophobicContact CG-CD2 3.83Å; Y331-L548 HydrophobicContact CD1-CD2 3.8Å; Y331-L548 HydrophobicContact CE1-CD2 3.53Å; Y331-L548 HydrophobicContact CE1-CG 4.3Å; C546-L548 PolarHBondContact O-N 3.3Å
549	Q	55.8	Low	56.3	Low	164 Å²	164	68.6 Å²	68.6	77%	0.766	37%	0.365	S	S	*	.			trans	-130.7	69.2	-174	-63.8	-169	2.5	0	0	112.2	C546	C546-Q549 PolarHBondContact O-N 2.92Å
550	T	52.1	Low	53.6	Low	48 Å²	48	70.5 Å²	70.5	29%	0.294	38%	0.377	S	S	.	.			trans	-61.6	137.8	168.7	33.1	0	0	0	0	112.1	N332 E334	N332-T550 HydrophobicContact CB-CG2 3.4Å; E334-T550 HydrophobicContact CG-CG2 4.43Å; E334-T550 WeakPolarHBondContact OE1-CA 3.42Å
551	N	45	Very low	51.1	Low	46 Å²	46	68.3 Å²	68.3	25%	0.246	38%	0.38	C	S	.	.			trans	-64	132.3	177.6	-175.3	-26.8	0	0	0	110.4	E334 Q553 S554	E334-N551 PolarHBondContact OE1-N 2.82Å; N551-Q553 PolarHBondContact O-N 2.84Å; N551-Q553 WeakPolarHBondContact OD1-CB 3.43Å; N551-Q553 PolarHBondContact OD1-N 2.89Å; N551-S554 WeakPolarHBondContact O-CB 3.43Å; N551-S554 PolarHBondContact O-N 3.34Å; N551-S554 PolarHBondContact O-OG 2.94Å
552	P	36.1	Very low	48.7	Very low	118 Å²	118	71.4 Å²	71.4	77%	0.766	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-13.5	176.4	23.8	-33.7	0	0	0	113.8
553	Q	37.4	Very low	46.9	Very low	106 Å²	106	69 Å²	69	50%	0.495	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	1.3	170.8	-55.2	-168	10.2	0	0	114	P195 N551	P195-Q553 WeakPolarHBondContact CG-O 3.31Å; N551-Q553 PolarHBondContact O-N 2.84Å; N551-Q553 WeakPolarHBondContact OD1-CB 3.43Å; N551-Q553 PolarHBondContact OD1-N 2.89Å
554	S	37.9	Very low	45.4	Very low	8 Å²	8	70.1 Å²	70.1	6%	0.056	39%	0.391	C	S	.	.	S	Bend	trans	-105.1	19.9	179.4	79.9	0	0	0	0	114.7	P195 E334 R379 N551	P195-S554 WeakPolarHBondContact CD-O 3.37Å; P195-S554 VanDerWaalsContact CG-C 3.45Å; E334-S554 VanDerWaalsContact OE1-CB 3.26Å; E334-S554 WeakPolarHBondContact OE1-CB 3.34Å; E334-S554 PolarHBondContact OE1-OG 2.85Å; R379-S554 PolarHBondContact NH1-O 2.04Å; N551-S554 WeakPolarHBondContact O-CB 3.43Å; N551-S554 PolarHBondContact O-N 3.34Å; N551-S554 PolarHBondContact O-OG 2.94Å
555	V	33.6	Very low	43.9	Very low	86 Å²	86	71.7 Å²	71.7	52%	0.521	40%	0.402	S	S	.	.			trans	-96.5	-21.6	-163.5	-178.8	0	0	0	0	117
556	N	29.3	Very low	42.8	Very low	116 Å²	116	67.8 Å²	67.8	62%	0.62	38%	0.382	S	S	*	.	S	Bend	trans	-111.2	68.7	-169.5	-47.1	-17	0	0	0	115.9	P195	P195-N556 VanDerWaalsContact CA-O 3.26Å; P195-N556 WeakPolarHBondContact CA-O 3.47Å; P195-N556 HydrophobicContact CB-CB 3.88Å; P195-N556 VanDerWaalsContact CB-O 3.25Å; P195-N556 WeakPolarHBondContact CB-O 3.32Å
557	S	24.2	Very low	41.8	Very low	47 Å²	47	70.7 Å²	70.7	33%	0.329	39%	0.394	S	S	.	.			trans	34.4	134.4	147.7	52.1	0	0	0	0	123.3	L193 A224	L193-S557 VanDerWaalsContact O-CA 3.29Å; L193-S557 WeakPolarHBondContact O-CA 3.46Å; L193-S557 PolarHBondContact O-N 3.23Å; A224-S557 WeakPolarHBondContact CB-OG 3.35Å
558	V	25.8	Very low	40.5	Very low	19 Å²	19	73.8 Å²	73.8	12%	0.115	41%	0.413	C	S	.	.			trans	-140.3	164.5	-175.6	158.3	0	0	0	0	113.1	L193 A194 F197 P221 D223	L193-V558 HydrophobicContact CB-CB 3.98Å; L193-V558 WeakPolarHBondContact CD1-O 3.42Å; A194-V558 WeakPolarHBondContact O-CG2 3.23Å; F197-V558 HydrophobicContact CD1-CG1 4.46Å; P221-V558 HydrophobicContact CG-CG1 4.46Å; D223-V558 CarbonylContact O-C 3.53Å
559	M	24.7	Very low	39.9	Very low	63 Å²	63	70.8 Å²	70.8	31%	0.31	40%	0.396	S	S	.	.			trans	-79.6	140.2	-172.4	-170.7	-163.2	-158.9	0	0	117.6	P221 D223 P561	P221-M559 HydrophobicContact CB-CB 3.93Å; P221-M559 HydrophobicContact CB-CG 4.5Å; P221-M559 HydrophobicContact CB-SD 3.78Å; P221-M559 HydrophobicContact CG-CB 4.18Å; D223-M559 HydrophobicContact CB-CB 4.22Å; D223-M559 HydrophobicContact CB-CG 3.9Å; D223-M559 WeakPolarHBondContact O-CA 3.3Å; D223-M559 WeakPolarHBondContact OD2-CE 3.06Å; M559-P561 HydrophobicContact CE-CB 4.42Å
560	V	28.5	Very low	40.7	Very low	47 Å²	47	66 Å²	66	29%	0.285	38%	0.377	S	S	.	.			trans	-141.1	139	147.9	173.8	0	0	0	0	109.1	L193 N361	L193-V560 HydrophobicContact CD1-CG2 3.81Å; N361-V560 HydrophobicContact CB-CG1 4.44Å
561	P	28	Very low	41.9	Very low	93 Å²	93	64.1 Å²	64.1	60%	0.604	37%	0.367	S	S	*	.			trans	-92.9	165.1	-161.6	36.2	-38.2	0	0	0	117.2	M559 K563	M559-P561 HydrophobicContact CE-CB 4.42Å; P561-K563 PolarHBondContact O-N 2.67Å
562	S	31.9	Very low	43.2	Very low	111 Å²	111	65.2 Å²	65.2	78%	0.776	37%	0.373	S	S	*	.			trans	-90.6	37.1	-169.3	52.9	0	0	0	0	116.7
563	K	37.8	Very low	44.8	Very low	134 Å²	134	63.4 Å²	63.4	58%	0.583	35%	0.354	S	S	*	.			trans	-106.9	143.6	173	-79.5	-169.7	169.5	-165.8	0	111.7	P561 M567	P561-K563 PolarHBondContact O-N 2.67Å; K563-M567 HydrophobicContact CD-CB 4.48Å
564	L	44.7	Very low	46.3	Very low	66 Å²	66	58.9 Å²	58.9	35%	0.346	33%	0.333	S	S	.	.			trans	-64.6	142.5	166.2	-71.6	168.2	0	0	0	109.8	G566 M567 D616 W625	L564-G566 VanDerWaalsContact C-N 3.32Å; L564-G566 PolarHBondContact O-N 2.86Å; L564-M567 HydrophobicContact CB-CG 4.07Å; L564-M567 HydrophobicContact CB-SD 4.06Å; L564-M567 WeakPolarHBondContact O-CB 3.5Å; L564-M567 PolarHBondContact O-N 2.85Å; L564-D616 WeakPolarHBondContact CB-O 3.06Å; L564-D616 HydrophobicContact CD2-CB 4.35Å; L564-W625 HydrophobicContact CD1-CH2 3.56Å; L564-W625 HydrophobicContact CD1-CZ2 4.5Å; L564-W625 HydrophobicContact CD1-CZ3 3.74Å
565	P	50.1	Low	47.9	Very low	35 Å²	35	58.5 Å²	58.5	23%	0.227	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-59.8	-37.4	-168.8	-26.9	36.7	0	0	0	114.1	M567 T568 Y569 M615	P565-M567 PolarHBondContact O-N 2.02Å; P565-T568 CarbonylContact O-C 3.57Å; P565-T568 WeakPolarHBondContact O-CA 3.48Å; P565-T568 WeakPolarHBondContact O-CB 3.4Å; P565-T568 PolarHBondContact O-N 2.8Å; P565-Y569 PolarHBondContact O-N 3.49Å; P565-M615 VanDerWaalsContact C-SD 3.57Å; P565-M615 HydrophobicContact CB-CB 4.08Å; P565-M615 HydrophobicContact CB-CE 3.95Å; P565-M615 HydrophobicContact CB-CG 3.95Å; P565-M615 HydrophobicContact CB-SD 3.43Å; P565-M615 WeakPolarHBondContact CB-SD 3.48Å
566	G	55.4	Low	49.8	Very low	4 Å²	4	57.9 Å²	57.9	4%	0.041	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-72.1	-8.3	177.3	0	0	0	0	0	114.7	L564 T568 Y569 D616 G617	L564-G566 VanDerWaalsContact C-N 3.32Å; L564-G566 PolarHBondContact O-N 2.86Å; G566-T568 VanDerWaalsContact C-N 3.28Å; G566-Y569 WeakPolarHBondContact CA-O 3.28Å; G566-D616 WeakPolarHBondContact CA-O 3.17Å; G566-D616 PolarHBondContact N-O 3.43Å; G566-G617 VanDerWaalsContact C-C 3.44Å; G566-G617 CarbonylContact O-C 3.55Å
567	M	54.8	Low	51.4	Low	90 Å²	90	53.7 Å²	53.7	44%	0.443	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-88.2	2.5	166.8	-51.3	178	80.1	0	0	112.9	K563 L564 P565 W625	K563-M567 HydrophobicContact CD-CB 4.48Å; L564-M567 HydrophobicContact CB-CG 4.07Å; L564-M567 HydrophobicContact CB-SD 4.06Å; L564-M567 WeakPolarHBondContact O-CB 3.5Å; L564-M567 PolarHBondContact O-N 2.85Å; P565-M567 PolarHBondContact O-N 2.02Å; M567-W625 HydrophobicContact CE-CZ3 4.29Å; M567-W625 HydrophobicContact CG-CE3 4.34Å; M567-W625 HydrophobicContact CG-CZ3 4.08Å; M567-W625 HydrophobicContact SD-CZ3 3.79Å
568	T	50.3	Low	53.1	Low	67 Å²	67	52.5 Å²	52.5	41%	0.411	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.4	-27.6	-176.3	-49.9	0	0	0	0	111.7	P565 G566	P565-T568 CarbonylContact O-C 3.57Å; P565-T568 WeakPolarHBondContact O-CA 3.48Å; P565-T568 WeakPolarHBondContact O-CB 3.4Å; P565-T568 PolarHBondContact O-N 2.8Å; G566-T568 VanDerWaalsContact C-N 3.28Å
569	Y	53.6	Low	55.2	Low	19 Å²	19	54 Å²	54	8%	0.075	29%	0.294	C	S	.	.	S	Bend	trans	-128.3	120.9	171.1	-52	-79	0	0	0	109.4	R354 P565 G566 Q574 I577 M615	R354-Y569 WeakPolarHBondContact CB-OH 3.05Å; P565-Y569 PolarHBondContact O-N 3.49Å; G566-Y569 WeakPolarHBondContact CA-O 3.28Å; Y569-Q574 PolarHBondContact O-NE2 3.16Å; Y569-I577 HydrophobicContact CD1-CD1 3.82Å; Y569-I577 HydrophobicContact CE1-CD1 4.24Å; Y569-I577 HydrophobicContact CG-CD1 4.24Å; Y569-M615 HydrophobicContact CD2-CE 3.95Å; Y569-M615 HydrophobicContact CD2-SD 3.86Å; Y569-M615 HydrophobicContact CG-SD 4.4Å
570	T	74.3	Confident	56.8	Low	62 Å²	62	51.3 Å²	51.3	38%	0.38	28%	0.283	S	S	.	.			trans	-68.1	171.6	175.1	56.4	0	0	0	0	112.5	D572 E573 Q574	T570-D572 VanDerWaalsContact C-N 3.28Å; T570-D572 PolarHBondContact O-N 2.94Å; T570-E573 WeakPolarHBondContact CB-OE2 3.3Å; T570-E573 WeakPolarHBondContact CG2-OE2 3.23Å; T570-E573 PolarHBondContact N-OE2 3.3Å; T570-E573 PolarHBondContact O-N 2.03Å; T570-E573 WeakPolarHBondContact OG1-CG 3.46Å; T570-E573 PolarHBondContact OG1-N 3.03Å; T570-E573 PolarHBondContact OG1-OE2 2.79Å; T570-Q574 WeakPolarHBondContact O-CB 3.34Å; T570-Q574 VanDerWaalsContact O-CG 3.28Å; T570-Q574 WeakPolarHBondContact O-CG 3.47Å; T570-Q574 PolarHBondContact O-N 3.26Å; T570-Q574 PolarHBondContact O-NE2 3.42Å
571	A	75.8	Confident	58.5	Low	10 Å²	10	54 Å²	54	8%	0.083	30%	0.301	C	S	.	.	H	α-helix	trans	-60.4	-37.7	174.8	0	0	0	0	0	112.3	C575 F585 I593 L597 T618	A571-C575 WeakPolarHBondContact O-CB 3.21Å; A571-C575 PolarHBondContact O-N 2.92Å; A571-C575 PolarHBondContact O-SG 3.46Å; A571-F585 HydrophobicContact CB-CB 4.04Å; A571-F585 HydrophobicContact CB-CD2 4.03Å; A571-F585 HydrophobicContact CB-CG 4.02Å; A571-I593 HydrophobicContact CB-CD1 4.2Å; A571-L597 HydrophobicContact CB-CD1 4.29Å; A571-T618 HydrophobicContact CB-CG2 3.81Å
572	D	72.9	Confident	60.5	Low	69 Å²	69	55.4 Å²	55.4	37%	0.369	30%	0.303	S	S	.	.	H	α-helix	trans	-65.9	-47	174.1	-69.2	-67.1	0	0	0	112	T570 Q574 C575 Q576 S584 F585	T570-D572 VanDerWaalsContact C-N 3.28Å; T570-D572 PolarHBondContact O-N 2.94Å; D572-Q574 VanDerWaalsContact C-N 3.32Å; D572-Q574 PolarHBondContact O-N 2.96Å; D572-C575 WeakPolarHBondContact O-CB 3.2Å; D572-C575 PolarHBondContact O-N 2.87Å; D572-C575 VanDerWaalsContact O-N 3.14Å; D572-Q576 VanDerWaalsContact O-CG 3.31Å; D572-Q576 WeakPolarHBondContact O-CG 3.15Å; D572-Q576 PolarHBondContact O-N 3.21Å; D572-S584 WeakPolarHBondContact OD1-CA 3.19Å; D572-S584 WeakPolarHBondContact OD1-CB 3.41Å; D572-F585 PolarHBondContact OD1-N 2.95Å
573	E	69.6	Low	62.6	Low	79 Å²	79	50.2 Å²	50.2	37%	0.369	27%	0.267	S	S	.	.	H	α-helix	trans	-63.2	-37.6	176.3	-71.5	164.1	121.8	0	0	111.8	T570 Q576 I577	T570-E573 WeakPolarHBondContact CB-OE2 3.3Å; T570-E573 WeakPolarHBondContact CG2-OE2 3.23Å; T570-E573 PolarHBondContact N-OE2 3.3Å; T570-E573 PolarHBondContact O-N 2.03Å; T570-E573 WeakPolarHBondContact OG1-CG 3.46Å; T570-E573 PolarHBondContact OG1-N 3.03Å; T570-E573 PolarHBondContact OG1-OE2 2.79Å; E573-Q576 PolarHBondContact O-N 2.66Å; E573-I577 WeakPolarHBondContact O-CB 3.47Å; E573-I577 WeakPolarHBondContact O-CD1 3.36Å; E573-I577 WeakPolarHBondContact O-CG1 3.39Å; E573-I577 PolarHBondContact O-N 2.96Å
574	Q	69.8	Low	64.8	Low	11 Å²	11	46.1 Å²	46.1	5%	0.051	26%	0.255	C	S	.	.	H	α-helix	trans	-65.6	-39.3	172.7	-71.3	168.9	60.6	0	0	111.8	Y569 T570 D572 Q576 I577 L578 L597 M615 T618	Y569-Q574 PolarHBondContact O-NE2 3.16Å; T570-Q574 WeakPolarHBondContact O-CB 3.34Å; T570-Q574 VanDerWaalsContact O-CG 3.28Å; T570-Q574 WeakPolarHBondContact O-CG 3.47Å; T570-Q574 PolarHBondContact O-N 3.26Å; T570-Q574 PolarHBondContact O-NE2 3.42Å; D572-Q574 VanDerWaalsContact C-N 3.32Å; D572-Q574 PolarHBondContact O-N 2.96Å; Q574-Q576 VanDerWaalsContact C-N 3.32Å; Q574-Q576 PolarHBondContact O-N 3.45Å; Q574-I577 CarbonylContact O-C 3.6Å; Q574-I577 PolarHBondContact O-N 3.03Å; Q574-L578 WeakPolarHBondContact O-CG 3.43Å; Q574-L578 PolarHBondContact O-N 2.71Å; Q574-L597 HydrophobicContact CB-CD2 3.47Å; Q574-L597 VanDerWaalsContact CB-CD2 3.47Å; Q574-M615 HydrophobicContact CG-CG 4.24Å; Q574-M615 HydrophobicContact CG-SD 3.88Å; Q574-T618 PolarHBondContact NE2-OG1 3.01Å
575	C	71.4	Confident	66.7	Low	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.1	-37.2	171.7	-79.6	0	0	0	0	112.5	A571 D572 L578 F579 A583 C599	A571-C575 WeakPolarHBondContact O-CB 3.21Å; A571-C575 PolarHBondContact O-N 2.92Å; A571-C575 PolarHBondContact O-SG 3.46Å; D572-C575 WeakPolarHBondContact O-CB 3.2Å; D572-C575 PolarHBondContact O-N 2.87Å; D572-C575 VanDerWaalsContact O-N 3.14Å; C575-L578 PolarHBondContact O-N 2.8Å; C575-F579 PolarHBondContact O-N 2.94Å; C575-A583 HydrophobicContact CB-CB 4.37Å; C575-A583 WeakPolarHBondContact O-CB 3.05Å; C575-C599 WeakPolarHBondContact CA-SG 3.36Å; C575-C599 HydrophobicContact CB-CB 3.69Å; C575-C599 WeakPolarHBondContact CB-SG 3.04Å; C575-C599 VanDerWaalsContact SG-CA 3.51Å; C575-C599 WeakPolarHBondContact SG-CB 3.38Å; C575-C599 CovalentContact SG-SG 2.04Å; C575-C599 PolarHBondContact SG-SG 3.41Å
576	Q	72.8	Confident	68.4	Low	74 Å²	74	42 Å²	42	35%	0.346	23%	0.231	S	C	.	.	H	α-helix	trans	-67	-39.1	174.1	-67.5	160.9	11.6	0	0	111.6	Y346 D572 E573 Q574 L578 G580 A583	Y346-Q576 PolarHBondContact OH-O 3.15Å; D572-Q576 VanDerWaalsContact O-CG 3.31Å; D572-Q576 WeakPolarHBondContact O-CG 3.15Å; D572-Q576 PolarHBondContact O-N 3.21Å; E573-Q576 PolarHBondContact O-N 2.66Å; Q574-Q576 VanDerWaalsContact C-N 3.32Å; Q574-Q576 PolarHBondContact O-N 3.45Å; Q576-L578 VanDerWaalsContact C-N 3.28Å; Q576-L578 PolarHBondContact O-N 3.18Å; Q576-G580 WeakPolarHBondContact CA-O 3.08Å; Q576-G580 CarbonylContact O-C 3.47Å; Q576-G580 VanDerWaalsContact O-CA 3.31Å; Q576-G580 WeakPolarHBondContact O-CA 3.42Å; Q576-G580 PolarHBondContact O-N 2.84Å; Q576-A583 WeakPolarHBondContact CG-O 3.29Å; Q576-A583 PolarHBondContact NE2-O 3.16Å
577	I	63.2	Low	69.6	Low	28 Å²	28	49.5 Å²	49.5	14%	0.144	27%	0.265	C	S	.	.	H	α-helix	trans	-67.3	-22.6	173.5	-72.5	164.9	0	0	0	112.5	Y346 R443 Y569 E573 Q574	Y346-I577 VanDerWaalsContact CE1-O 3.3Å; Y346-I577 WeakPolarHBondContact CE1-O 3.49Å; Y346-I577 VanDerWaalsContact OH-C 3.31Å; Y346-I577 PolarHBondContact OH-O 3.12Å; Y346-I577 VanDerWaalsContact OH-O 3.13Å; R443-I577 PolarHBondContact NH2-O 3.39Å; Y569-I577 HydrophobicContact CD1-CD1 3.82Å; Y569-I577 HydrophobicContact CE1-CD1 4.24Å; Y569-I577 HydrophobicContact CG-CD1 4.24Å; E573-I577 WeakPolarHBondContact O-CB 3.47Å; E573-I577 WeakPolarHBondContact O-CD1 3.36Å; E573-I577 WeakPolarHBondContact O-CG1 3.39Å; E573-I577 PolarHBondContact O-N 2.96Å; Q574-I577 CarbonylContact O-C 3.6Å; Q574-I577 PolarHBondContact O-N 3.03Å
578	L	59.9	Low	70.7	Confident	22 Å²	22	51.5 Å²	51.5	12%	0.115	27%	0.273	C	S	.	.	H	α-helix	trans	-100.9	-33	178.7	-70.1	-179.5	0	0	0	115.6	Y346 Q574 C575 Q576 L597	Y346-L578 PolarHBondContact OH-N 3.25Å; Y346-L578 PolarHBondContact OH-O 3.27Å; Q574-L578 WeakPolarHBondContact O-CG 3.43Å; Q574-L578 PolarHBondContact O-N 2.71Å; C575-L578 PolarHBondContact O-N 2.8Å; Q576-L578 VanDerWaalsContact C-N 3.28Å; Q576-L578 PolarHBondContact O-N 3.18Å; L578-L597 HydrophobicContact CD1-CD2 3.88Å
579	F	69.2	Low	72	Confident	49 Å²	49	51.1 Å²	51.1	22%	0.215	27%	0.268	C	S	.	.	H	α-helix	trans	-130.5	3.4	-173.2	-60.2	-84.4	0	0	0	115.6	Y346 C575 A583 C599 V601 K608 K610	Y346-F579 PolarHBondContact OH-N 2.77Å; C575-F579 PolarHBondContact O-N 2.94Å; F579-A583 HydrophobicContact CB-CB 3.8Å; F579-C599 HydrophobicContact CD2-CB 3.47Å; F579-C599 VanDerWaalsContact CD2-CB 3.47Å; F579-C599 VanDerWaalsContact CD2-SG 3.56Å; F579-C599 HydrophobicContact CE2-CB 3.74Å; F579-C599 HydrophobicContact CG-CB 4.33Å; F579-V601 HydrophobicContact CB-CG2 3.76Å; F579-V601 HydrophobicContact CD1-CG2 4.45Å; F579-V601 HydrophobicContact CG-CG2 4.24Å; F579-K608 HydrophobicContact CE1-CB 3.92Å; F579-K608 HydrophobicContact CZ-CB 4.13Å; F579-K610 HydrophobicContact CZ-CG 4.05Å
580	G	59.1	Low	73.1	Confident	8 Å²	8	53.6 Å²	53.6	8%	0.082	28%	0.28	C	S	.	.			trans	104.9	166.3	172.2	0	0	0	0	0	113.8	Y346 Q576 L582 A583	Y346-G580 PolarHBondContact OH-N 2.82Å; Q576-G580 WeakPolarHBondContact CA-O 3.08Å; Q576-G580 CarbonylContact O-C 3.47Å; Q576-G580 VanDerWaalsContact O-CA 3.31Å; Q576-G580 WeakPolarHBondContact O-CA 3.42Å; Q576-G580 PolarHBondContact O-N 2.84Å; G580-L582 PolarHBondContact O-N 3.02Å; G580-A583 VanDerWaalsContact O-CB 3.26Å; G580-A583 WeakPolarHBondContact O-CB 3.36Å; G580-A583 PolarHBondContact O-N 2.88Å
581	P	63.6	Low	73	Confident	103 Å²	103	57.9 Å²	57.9	67%	0.669	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-9.7	-166.5	25.8	-36.3	0	0	0	115.9
582	L	70.8	Confident	72.9	Confident	122 Å²	122	59.6 Å²	59.6	64%	0.639	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	6.3	174.6	-60.7	173.6	0	0	0	112.9	G580 E602	G580-L582 PolarHBondContact O-N 3.02Å; L582-E602 HydrophobicContact CB-CB 4.24Å
583	A	75.6	Confident	73.1	Confident	3 Å²	3	56.5 Å²	56.5	3%	0.025	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	149.1	172.9	0	0	0	0	0	111.6	C575 Q576 F579 G580 K600 V601	C575-A583 HydrophobicContact CB-CB 4.37Å; C575-A583 WeakPolarHBondContact O-CB 3.05Å; Q576-A583 WeakPolarHBondContact CG-O 3.29Å; Q576-A583 PolarHBondContact NE2-O 3.16Å; F579-A583 HydrophobicContact CB-CB 3.8Å; G580-A583 VanDerWaalsContact O-CB 3.26Å; G580-A583 WeakPolarHBondContact O-CB 3.36Å; G580-A583 PolarHBondContact O-N 2.88Å; A583-K600 CarbonylContact C-O 3.52Å; A583-K600 VanDerWaalsContact CA-O 3.25Å; A583-K600 WeakPolarHBondContact CA-O 2.95Å; A583-V601 HydrophobicContact CB-CG2 4.31Å
584	S	83.3	Confident	73.5	Confident	47 Å²	47	53 Å²	53	33%	0.329	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	167.8	171.4	78.3	0	0	0	0	110.6	D572 C599 K600	D572-S584 WeakPolarHBondContact OD1-CA 3.19Å; D572-S584 WeakPolarHBondContact OD1-CB 3.41Å; S584-C599 CarbonylContact O-C 3.27Å; S584-C599 VanDerWaalsContact O-CA 3.27Å; S584-C599 WeakPolarHBondContact O-CA 3.33Å; S584-K600 PolarHBondContact N-O 3.1Å; S584-K600 PolarHBondContact O-N 3.18Å
585	F	85.5	Confident	73.5	Confident	13 Å²	13	57.1 Å²	57.1	6%	0.057	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	140.4	169.6	179.6	-108.3	0	0	0	111.2	A571 D572 Q587 Q590 I593 L597 W598	A571-F585 HydrophobicContact CB-CB 4.04Å; A571-F585 HydrophobicContact CB-CD2 4.03Å; A571-F585 HydrophobicContact CB-CG 4.02Å; D572-F585 PolarHBondContact OD1-N 2.95Å; F585-Q587 HydrophobicContact CD1-CG 4.5Å; F585-Q587 PolarHBondContact O-N 3.28Å; F585-Q590 HydrophobicContact CE1-CB 4.39Å; F585-Q590 VanDerWaalsContact CE1-OE1 3.31Å; F585-I593 HydrophobicContact CD1-CD1 4.47Å; F585-I593 HydrophobicContact CD2-CD1 4.25Å; F585-I593 HydrophobicContact CE1-CD1 3.95Å; F585-I593 HydrophobicContact CE2-CB 4.31Å; F585-I593 HydrophobicContact CE2-CD1 3.71Å; F585-I593 HydrophobicContact CE2-CG1 3.65Å; F585-I593 HydrophobicContact CZ-CB 3.94Å; F585-I593 HydrophobicContact CZ-CD1 3.55Å; F585-I593 HydrophobicContact CZ-CG1 3.68Å; F585-L597 HydrophobicContact CD2-CD1 3.72Å; F585-L597 HydrophobicContact CE2-CD1 4.06Å; F585-W598 WeakPolarHBondContact CD2-O 3.22Å; F585-W598 WeakPolarHBondContact CE2-O 3.47Å
586	C	86.3	Confident	73.6	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.007	30%	0.3	C	S	.	.			trans	-83.7	91.3	176.5	-175.2	0	0	0	0	110.6	E588 M589 W598 C607	C586-E588 PolarHBondContact O-N 3.25Å; C586-M589 HydrophobicContact CB-CG 4.44Å; C586-M589 PolarHBondContact O-N 2.76Å; C586-W598 HydrophobicContact CB-CB 3.86Å; C586-W598 WeakPolarHBondContact CB-O 3.24Å; C586-W598 PolarHBondContact N-O 3.35Å; C586-C607 HydrophobicContact CB-CB 3.62Å; C586-C607 WeakPolarHBondContact CB-SG 3.2Å; C586-C607 WeakPolarHBondContact SG-CB 3.39Å; C586-C607 CovalentContact SG-SG 2.03Å; C586-C607 PolarHBondContact SG-SG 2.91Å
587	Q	80.2	Confident	73.8	Confident	163 Å²	163	54 Å²	54	76%	0.762	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-54	-27.9	-178.3	-66.3	-178.4	-8.9	0	0	114.3	F585 M589 Q590	F585-Q587 HydrophobicContact CD1-CG 4.5Å; F585-Q587 PolarHBondContact O-N 3.28Å; Q587-M589 PolarHBondContact O-N 3.45Å; Q587-Q590 WeakPolarHBondContact O-CB 3.47Å; Q587-Q590 PolarHBondContact O-N 2.92Å
588	E	78.4	Confident	74.8	Confident	132 Å²	132	56 Å²	56	62%	0.617	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-61	-26	175.2	-62.1	164.2	-132	0	0	112.1	C586 H591 K600	C586-E588 PolarHBondContact O-N 3.25Å; E588-H591 PolarHBondContact O-ND1 2.63Å; E588-K600 IonicContact OE1-NZ 3.72Å; E588-K600 PolarHBondContact OE1-NZ 3.28Å; E588-K600 VanDerWaalsContact OE1-NZ 3.09Å
589	M	77.2	Confident	76	Confident	58 Å²	58	54.9 Å²	54.9	29%	0.286	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-102.3	13.3	-179.1	-59.6	-59.9	175.2	0	0	114.1	C586 Q587 H591 V592 I593 W598	C586-M589 HydrophobicContact CB-CG 4.44Å; C586-M589 PolarHBondContact O-N 2.76Å; Q587-M589 PolarHBondContact O-N 3.45Å; M589-H591 PolarHBondContact O-N 2.9Å; M589-V592 HydrophobicContact CB-CG2 4.06Å; M589-V592 WeakPolarHBondContact O-CG2 3.46Å; M589-V592 PolarHBondContact O-N 2.99Å; M589-V592 HydrophobicContact SD-CG2 4.41Å; M589-I593 PolarHBondContact O-N 3.38Å; M589-W598 HydrophobicContact CB-CB 3.72Å; M589-W598 HydrophobicContact CB-CD2 4.49Å; M589-W598 HydrophobicContact CB-CG 3.71Å; M589-W598 HydrophobicContact CG-CB 3.83Å; M589-W598 HydrophobicContact CG-CD2 4.03Å; M589-W598 HydrophobicContact CG-CG 3.7Å
590	Q	76.5	Confident	76.8	Confident	72 Å²	72	56.4 Å²	56.4	34%	0.336	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-49	-35.6	178.1	-170.9	71.7	49.1	0	0	113.2	F585 Q587 V592 I593 C620	F585-Q590 HydrophobicContact CE1-CB 4.39Å; F585-Q590 VanDerWaalsContact CE1-OE1 3.31Å; Q587-Q590 WeakPolarHBondContact O-CB 3.47Å; Q587-Q590 PolarHBondContact O-N 2.92Å; Q590-V592 VanDerWaalsContact C-N 3.26Å; Q590-V592 PolarHBondContact O-N 2.83Å; Q590-I593 WeakPolarHBondContact O-CB 3.13Å; Q590-I593 WeakPolarHBondContact O-CG2 3.49Å; Q590-I593 PolarHBondContact O-N 2.99Å; Q590-C620 PolarHBondContact NE2-O 2.83Å
591	H	71.5	Confident	77.8	Confident	152 Å²	152	57.5 Å²	57.5	70%	0.704	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-69.6	-15.1	-177.7	68.5	-79.5	0	0	0	115	E588 M589	E588-H591 PolarHBondContact O-ND1 2.63Å; M589-H591 PolarHBondContact O-N 2.9Å
592	V	73.8	Confident	77.9	Confident	45 Å²	45	59.7 Å²	59.7	27%	0.273	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-121.3	14.1	174.9	-73.1	0	0	0	0	112.3	M589 Q590 C594 T595 G596	M589-V592 HydrophobicContact CB-CG2 4.06Å; M589-V592 WeakPolarHBondContact O-CG2 3.46Å; M589-V592 PolarHBondContact O-N 2.99Å; M589-V592 HydrophobicContact SD-CG2 4.41Å; Q590-V592 VanDerWaalsContact C-N 3.26Å; Q590-V592 PolarHBondContact O-N 2.83Å; V592-C594 VanDerWaalsContact C-N 3.29Å; V592-C594 PolarHBondContact O-N 3.07Å; V592-C594 VanDerWaalsContact O-N 3.14Å; V592-T595 PolarHBondContact O-N 3.16Å; V592-T595 PolarHBondContact O-OG1 3.49Å; V592-G596 PolarHBondContact O-N 3.36Å
593	I	77.8	Confident	77.7	Confident	4 Å²	4	57.8 Å²	57.8	2%	0.021	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-51.8	-44.3	-171.9	-172.2	170.5	0	0	0	113	A571 F585 M589 Q590 T595 G596 P614 D619 C620	A571-I593 HydrophobicContact CB-CD1 4.2Å; F585-I593 HydrophobicContact CD1-CD1 4.47Å; F585-I593 HydrophobicContact CD2-CD1 4.25Å; F585-I593 HydrophobicContact CE1-CD1 3.95Å; F585-I593 HydrophobicContact CE2-CB 4.31Å; F585-I593 HydrophobicContact CE2-CD1 3.71Å; F585-I593 HydrophobicContact CE2-CG1 3.65Å; F585-I593 HydrophobicContact CZ-CB 3.94Å; F585-I593 HydrophobicContact CZ-CD1 3.55Å; F585-I593 HydrophobicContact CZ-CG1 3.68Å; M589-I593 PolarHBondContact O-N 3.38Å; Q590-I593 WeakPolarHBondContact O-CB 3.13Å; Q590-I593 WeakPolarHBondContact O-CG2 3.49Å; Q590-I593 PolarHBondContact O-N 2.99Å; I593-T595 PolarHBondContact O-N 3.32Å; I593-G596 CarbonylContact O-C 3.56Å; I593-G596 PolarHBondContact O-N 3.39Å; I593-G596 VanDerWaalsContact O-O 3.07Å; I593-P614 HydrophobicContact CG1-CG 4.39Å; I593-P614 WeakPolarHBondContact O-CD 3.45Å; I593-P614 WeakPolarHBondContact O-CG 3.42Å; I593-D619 WeakPolarHBondContact CD1-O 3.27Å; I593-C620 HydrophobicContact CG2-CB 3.56Å
594	C	78.3	Confident	77.5	Confident	6 Å²	6	61.7 Å²	61.7	4%	0.041	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-77.4	-19	-176.7	-55.8	0	0	0	0	114.8	V592 P613 C620 C626 G629 C631	V592-C594 VanDerWaalsContact C-N 3.29Å; V592-C594 PolarHBondContact O-N 3.07Å; V592-C594 VanDerWaalsContact O-N 3.14Å; C594-P613 VanDerWaalsContact O-CB 3.26Å; C594-P613 WeakPolarHBondContact O-CB 3.04Å; C594-C620 WeakPolarHBondContact SG-CB 3.41Å; C594-C626 WeakPolarHBondContact CA-SG 3.31Å; C594-C626 HydrophobicContact CB-CB 3.71Å; C594-C626 WeakPolarHBondContact CB-SG 3.47Å; C594-C626 WeakPolarHBondContact SG-CA 3.23Å; C594-C626 WeakPolarHBondContact SG-CB 3.21Å; C594-C626 CovalentContact SG-SG 2.04Å; C594-C626 PolarHBondContact SG-SG 2.83Å; C594-G629 CarbonylContact C-O 3.4Å; C594-G629 VanDerWaalsContact C-O 3.27Å; C594-G629 WeakPolarHBondContact CB-O 3.09Å; C594-G629 CarbonylContact O-C 3.51Å; C594-G629 WeakPolarHBondContact O-CA 3.3Å; C594-C631 VanDerWaalsContact SG-CB 3.58Å
595	T	69.5	Low	76.6	Confident	98 Å²	98	69.2 Å²	69.2	60%	0.601	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-91	-11.3	175.6	54.1	0	0	0	0	112.9	V592 I593 G629	V592-T595 PolarHBondContact O-N 3.16Å; V592-T595 PolarHBondContact O-OG1 3.49Å; I593-T595 PolarHBondContact O-N 3.32Å; T595-G629 WeakPolarHBondContact CG2-O 3.31Å
596	G	72.6	Confident	76.1	Confident	4 Å²	4	76.4 Å²	76.4	4%	0.041	39%	0.386	C	S	.	.			trans	-173.8	133.2	171.5	0	0	0	0	0	111.9	V592 I593 W598 D612	V592-G596 PolarHBondContact O-N 3.36Å; I593-G596 CarbonylContact O-C 3.56Å; I593-G596 PolarHBondContact O-N 3.39Å; I593-G596 VanDerWaalsContact O-O 3.07Å; G596-W598 PolarHBondContact O-N 3.04Å; G596-D612 WeakPolarHBondContact CA-O 3.46Å
597	L	77.3	Confident	75.9	Confident	4 Å²	4	77.5 Å²	77.5	2%	0.021	39%	0.393	C	S	.	.			trans	-79.2	114.4	176	-178.9	57.8	0	0	0	110	A571 Q574 L578 F585 T609 D612 P614	A571-L597 HydrophobicContact CB-CD1 4.29Å; Q574-L597 HydrophobicContact CB-CD2 3.47Å; Q574-L597 VanDerWaalsContact CB-CD2 3.47Å; L578-L597 HydrophobicContact CD1-CD2 3.88Å; F585-L597 HydrophobicContact CD2-CD1 3.72Å; F585-L597 HydrophobicContact CE2-CD1 4.06Å; L597-T609 VanDerWaalsContact O-CB 3.25Å; L597-T609 WeakPolarHBondContact O-CB 3.43Å; L597-T609 PolarHBondContact O-OG1 3.06Å; L597-D612 PolarHBondContact N-O 3.04Å; L597-P614 HydrophobicContact CB-CB 4.25Å; L597-P614 HydrophobicContact CD1-CB 4.37Å
598	W	84	Confident	75.5	Confident	69 Å²	69	74 Å²	74	26%	0.261	38%	0.375	S	S	.	.			trans	-105.5	132.5	177.6	-64.7	86.3	0	0	0	110.7	F585 C586 M589 G596 C607 T609	F585-W598 WeakPolarHBondContact CD2-O 3.22Å; F585-W598 WeakPolarHBondContact CE2-O 3.47Å; C586-W598 HydrophobicContact CB-CB 3.86Å; C586-W598 WeakPolarHBondContact CB-O 3.24Å; C586-W598 PolarHBondContact N-O 3.35Å; M589-W598 HydrophobicContact CB-CB 3.72Å; M589-W598 HydrophobicContact CB-CD2 4.49Å; M589-W598 HydrophobicContact CB-CG 3.71Å; M589-W598 HydrophobicContact CG-CB 3.83Å; M589-W598 HydrophobicContact CG-CD2 4.03Å; M589-W598 HydrophobicContact CG-CG 3.7Å; G596-W598 PolarHBondContact O-N 3.04Å; W598-C607 HydrophobicContact CE3-CB 4.5Å; W598-T609 HydrophobicContact CD2-CG2 3.94Å; W598-T609 HydrophobicContact CE3-CG2 3.75Å; W598-T609 HydrophobicContact CH2-CG2 3.59Å; W598-T609 HydrophobicContact CZ2-CG2 3.77Å; W598-T609 HydrophobicContact CZ3-CG2 3.58Å
599	C	85.4	Confident	75	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	146	-172.3	-55.6	0	0	0	0	111.4	C575 F579 S584 C607 K608	C575-C599 WeakPolarHBondContact CA-SG 3.36Å; C575-C599 HydrophobicContact CB-CB 3.69Å; C575-C599 WeakPolarHBondContact CB-SG 3.04Å; C575-C599 VanDerWaalsContact SG-CA 3.51Å; C575-C599 WeakPolarHBondContact SG-CB 3.38Å; C575-C599 CovalentContact SG-SG 2.04Å; C575-C599 PolarHBondContact SG-SG 3.41Å; F579-C599 HydrophobicContact CD2-CB 3.47Å; F579-C599 VanDerWaalsContact CD2-CB 3.47Å; F579-C599 VanDerWaalsContact CD2-SG 3.56Å; F579-C599 HydrophobicContact CE2-CB 3.74Å; F579-C599 HydrophobicContact CG-CB 4.33Å; S584-C599 CarbonylContact O-C 3.27Å; S584-C599 VanDerWaalsContact O-CA 3.27Å; S584-C599 WeakPolarHBondContact O-CA 3.33Å; C599-C607 CarbonylContact O-C 3.56Å; C599-C607 WeakPolarHBondContact O-CA 3.35Å; C599-K608 PolarHBondContact N-O 3.32Å; C599-K608 PolarHBondContact O-N 3.01Å
600	K	85.2	Confident	74.1	Confident	80 Å²	80	71.1 Å²	71.1	35%	0.348	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	130.4	175.8	-166.6	166.1	-167.1	155	0	108.2	A583 S584 E588	A583-K600 CarbonylContact C-O 3.52Å; A583-K600 VanDerWaalsContact CA-O 3.25Å; A583-K600 WeakPolarHBondContact CA-O 2.95Å; S584-K600 PolarHBondContact N-O 3.1Å; S584-K600 PolarHBondContact O-N 3.18Å; E588-K600 IonicContact OE1-NZ 3.72Å; E588-K600 PolarHBondContact OE1-NZ 3.28Å; E588-K600 VanDerWaalsContact OE1-NZ 3.09Å
601	V	80.9	Confident	72.9	Confident	32 Å²	32	74.2 Å²	74.2	19%	0.194	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	134.8	-176.5	-173.8	0	0	0	0	109	F579 A583 G603 E604	F579-V601 HydrophobicContact CB-CG2 3.76Å; F579-V601 HydrophobicContact CD1-CG2 4.45Å; F579-V601 HydrophobicContact CG-CG2 4.24Å; A583-V601 HydrophobicContact CB-CG2 4.31Å; V601-G603 PolarHBondContact O-N 2.04Å; V601-E604 PolarHBondContact O-N 3.46Å; V601-E604 VanDerWaalsContact O-N 3.12Å
602	E	65.3	Low	72	Confident	149 Å²	149	68.8 Å²	68.8	70%	0.696	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	125.8	-179.1	-170.4	170.3	-158.9	0	0	111.6	L582	L582-E602 HydrophobicContact CB-CB 4.24Å
603	G	66.3	Low	71.2	Confident	81 Å²	81	69.5 Å²	69.5	84%	0.835	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.7	-18.8	-175	0	0	0	0	0	114.8	V601	V601-G603 PolarHBondContact O-N 2.04Å
604	E	71.3	Confident	70.8	Confident	86 Å²	86	69.7 Å²	69.7	40%	0.402	36%	0.363	S	S	.	.			trans	-105.5	149	-179.6	-61.3	-169.9	141.4	0	0	112.6	V601 K608	V601-E604 PolarHBondContact O-N 3.46Å; V601-E604 VanDerWaalsContact O-N 3.12Å; E604-K608 IonicContact OE1-NZ 3.48Å; E604-K608 PolarHBondContact OE1-NZ 3.17Å; E604-K608 WeakPolarHBondContact OE2-CD 3.25Å; E604-K608 WeakPolarHBondContact OE2-CE 3.26Å; E604-K608 IonicContact OE2-NZ 3.3Å; E604-K608 PolarHBondContact OE2-NZ 2.82Å
605	K	64.4	Low	70.3	Confident	205 Å²	205	70.2 Å²	70.2	89%	0.891	37%	0.365	S	S	*	.	S	Bend	trans	-95.2	-19.3	-175.7	-71.4	-172.8	178.1	-179.5	0	114.5
606	E	76.2	Confident	69.9	Low	164 Å²	164	68.2 Å²	68.2	77%	0.766	35%	0.351	S	S	*	.	S	Bend	trans	-115.5	143.5	-175.6	-64.8	178	170.3	0	0	109.1
607	C	80.9	Confident	69.5	Low	23 Å²	23	68 Å²	68	16%	0.155	35%	0.349	C	S	.	.			trans	-78.6	136.2	178.7	-66.1	0	0	0	0	111.3	C586 W598 C599	C586-C607 HydrophobicContact CB-CB 3.62Å; C586-C607 WeakPolarHBondContact CB-SG 3.2Å; C586-C607 WeakPolarHBondContact SG-CB 3.39Å; C586-C607 CovalentContact SG-SG 2.03Å; C586-C607 PolarHBondContact SG-SG 2.91Å; W598-C607 HydrophobicContact CE3-CB 4.5Å; C599-C607 CarbonylContact O-C 3.56Å; C599-C607 WeakPolarHBondContact O-CA 3.35Å
608	K	72.4	Confident	69.4	Low	91 Å²	91	67.9 Å²	67.9	40%	0.396	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-102.1	153.4	178.8	-74.4	179.4	173.7	165.2	0	111.5	F579 C599 E604	F579-K608 HydrophobicContact CE1-CB 3.92Å; F579-K608 HydrophobicContact CZ-CB 4.13Å; C599-K608 PolarHBondContact N-O 3.32Å; C599-K608 PolarHBondContact O-N 3.01Å; E604-K608 IonicContact OE1-NZ 3.48Å; E604-K608 PolarHBondContact OE1-NZ 3.17Å; E604-K608 WeakPolarHBondContact OE2-CD 3.25Å; E604-K608 WeakPolarHBondContact OE2-CE 3.26Å; E604-K608 IonicContact OE2-NZ 3.3Å; E604-K608 PolarHBondContact OE2-NZ 2.82Å
609	T	69.1	Low	69	Low	31 Å²	31	68.1 Å²	68.1	19%	0.19	36%	0.355	C	S	.	.			trans	-140.4	157.6	169.6	-175.1	0	0	0	0	109.1	L597 W598 L611	L597-T609 VanDerWaalsContact O-CB 3.25Å; L597-T609 WeakPolarHBondContact O-CB 3.43Å; L597-T609 PolarHBondContact O-OG1 3.06Å; W598-T609 HydrophobicContact CD2-CG2 3.94Å; W598-T609 HydrophobicContact CE3-CG2 3.75Å; W598-T609 HydrophobicContact CH2-CG2 3.59Å; W598-T609 HydrophobicContact CZ2-CG2 3.77Å; W598-T609 HydrophobicContact CZ3-CG2 3.58Å; T609-L611 HydrophobicContact CG2-CD2 3.86Å; T609-L611 HydrophobicContact CG2-CG 4.34Å; T609-L611 PolarHBondContact OG1-N 3.39Å
610	K	56.9	Low	68.8	Low	98 Å²	98	68.2 Å²	68.2	43%	0.426	36%	0.356	S	S	.	.			trans	-96.8	5.6	165.2	-74.6	-164.3	174	-168.3	0	113	F579 D612	F579-K610 HydrophobicContact CZ-CG 4.05Å; K610-D612 WeakPolarHBondContact CB-OD2 3.06Å; K610-D612 PolarHBondContact O-N 3.31Å
611	L	52.3	Low	68.3	Low	136 Å²	136	67.6 Å²	67.6	71%	0.712	36%	0.356	S	S	*	.	S	Bend	trans	69.9	8.8	-173.9	-55.1	169.4	0	0	0	115	T609	T609-L611 HydrophobicContact CG2-CD2 3.86Å; T609-L611 HydrophobicContact CG2-CG 4.34Å; T609-L611 PolarHBondContact OG1-N 3.39Å
612	D	51.1	Low	67.8	Low	38 Å²	38	72 Å²	72	20%	0.203	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-75.7	133.5	169.3	-59.5	-71.3	0	0	0	111.2	N481 G596 L597 K610	N481-D612 PolarHBondContact ND2-OD1 2.93Å; G596-D612 WeakPolarHBondContact CA-O 3.46Å; L597-D612 PolarHBondContact N-O 3.04Å; K610-D612 WeakPolarHBondContact CB-OD2 3.06Å; K610-D612 PolarHBondContact O-N 3.31Å
613	P	58.8	Low	67.6	Low	61 Å²	61	66.8 Å²	66.8	40%	0.396	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-67.2	148.4	165.3	30.3	-34.1	0	0	0	110.2	C594	C594-P613 VanDerWaalsContact O-CB 3.26Å; C594-P613 WeakPolarHBondContact O-CB 3.04Å
614	P	68.1	Low	68.2	Low	7 Å²	7	66.5 Å²	66.5	5%	0.045	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-65.1	158	175.8	31.8	-38.9	0	0	0	110.8	I593 L597 D616 T618 C626	I593-P614 HydrophobicContact CG1-CG 4.39Å; I593-P614 WeakPolarHBondContact O-CD 3.45Å; I593-P614 WeakPolarHBondContact O-CG 3.42Å; L597-P614 HydrophobicContact CB-CB 4.25Å; L597-P614 HydrophobicContact CD1-CB 4.37Å; P614-D616 PolarHBondContact O-N 2.96Å; P614-T618 HydrophobicContact CB-CG2 4.17Å; P614-C626 HydrophobicContact CG-CB 4.13Å; P614-C626 VanDerWaalsContact CG-SG 3.58Å
615	M	68	Low	68.3	Low	17 Å²	17	64.7 Å²	64.7	8%	0.084	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-52.2	138.4	-178.9	-66.9	175.8	161.1	0	0	112.9	L480 P565 Y569 Q574 G617 T618	L480-M615 HydrophobicContact CD1-CE 3.87Å; L480-M615 HydrophobicContact CD1-CG 3.8Å; L480-M615 HydrophobicContact CD2-CE 3.88Å; L480-M615 HydrophobicContact CG-CE 3.83Å; P565-M615 VanDerWaalsContact C-SD 3.57Å; P565-M615 HydrophobicContact CB-CB 4.08Å; P565-M615 HydrophobicContact CB-CE 3.95Å; P565-M615 HydrophobicContact CB-CG 3.95Å; P565-M615 HydrophobicContact CB-SD 3.43Å; P565-M615 WeakPolarHBondContact CB-SD 3.48Å; Y569-M615 HydrophobicContact CD2-CE 3.95Å; Y569-M615 HydrophobicContact CD2-SD 3.86Å; Y569-M615 HydrophobicContact CG-SD 4.4Å; Q574-M615 HydrophobicContact CG-CG 4.24Å; Q574-M615 HydrophobicContact CG-SD 3.88Å; M615-G617 PolarHBondContact O-N 3.11Å; M615-G617 VanDerWaalsContact O-N 3.14Å; M615-T618 WeakPolarHBondContact O-CB 3.49Å; M615-T618 PolarHBondContact O-N 2.89Å; M615-T618 PolarHBondContact O-OG1 3.19Å
616	D	61	Low	68.7	Low	56 Å²	56	55 Å²	55	30%	0.299	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	123	163.4	-93	28.3	0	0	0	109.5	L564 G566 P614 C626 K627 A628	L564-D616 WeakPolarHBondContact CB-O 3.06Å; L564-D616 HydrophobicContact CD2-CB 4.35Å; G566-D616 WeakPolarHBondContact CA-O 3.17Å; G566-D616 PolarHBondContact N-O 3.43Å; P614-D616 PolarHBondContact O-N 2.96Å; D616-C626 WeakPolarHBondContact CA-O 3.38Å; D616-K627 WeakPolarHBondContact OD1-CA 3.43Å; D616-K627 WeakPolarHBondContact OD2-CG 3.48Å; D616-A628 PolarHBondContact OD1-N 3.23Å
617	G	64.3	Low	68	Low	1 Å²	1	52.3 Å²	52.3	1%	0.01	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	111.6	-19.6	-175.8	0	0	0	0	0	116.2	G566 M615 C626 R634	G566-G617 VanDerWaalsContact C-C 3.44Å; G566-G617 CarbonylContact O-C 3.55Å; M615-G617 PolarHBondContact O-N 3.11Å; M615-G617 VanDerWaalsContact O-N 3.14Å; G617-C626 PolarHBondContact N-O 3.42Å; G617-R634 PolarHBondContact O-NH2 3.34Å
618	T	75.3	Confident	66.6	Low	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.295	C	S	.	.			trans	-64.3	136.9	-172.8	-53.1	0	0	0	0	112.1	A571 Q574 P614 M615 C620 W625 C626	A571-T618 HydrophobicContact CB-CG2 3.81Å; Q574-T618 PolarHBondContact NE2-OG1 3.01Å; P614-T618 HydrophobicContact CB-CG2 4.17Å; M615-T618 WeakPolarHBondContact O-CB 3.49Å; M615-T618 PolarHBondContact O-N 2.89Å; M615-T618 PolarHBondContact O-OG1 3.19Å; T618-C620 PolarHBondContact O-N 2.87Å; T618-W625 CarbonylContact O-C 3.58Å; T618-W625 WeakPolarHBondContact O-CA 3.1Å; T618-W625 WeakPolarHBondContact O-CB 3.26Å; T618-C626 PolarHBondContact O-N 2.79Å
619	D	76.4	Confident	65.9	Low	74 Å²	74	50.6 Å²	50.6	40%	0.396	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	127.6	172.2	-89.8	-79.8	0	0	0	112	I593 R634	I593-D619 WeakPolarHBondContact CD1-O 3.27Å; D619-R634 IonicContact OD1-CZ 2.84Å; D619-R634 IonicContact OD1-NE 4Å; D619-R634 IonicContact OD1-NH1 3.47Å; D619-R634 PolarHBondContact OD1-NH1 3.13Å; D619-R634 IonicContact OD1-NH2 3.53Å; D619-R634 IonicContact OD2-CZ 3.2Å; D619-R634 IonicContact OD2-NH1 3.46Å; D619-R634 PolarHBondContact OD2-NH1 2.92Å; D619-R634 IonicContact OD2-NH2 3.93Å; D619-R634 PolarHBondContact OD2-NH2 3.14Å
620	C	81.3	Confident	65.9	Low	3 Å²	3	55.7 Å²	55.7	2%	0.02	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	-19.4	179.6	69.4	0	0	0	0	114.8	Q590 I593 C594 T618 K624 W625 C631	Q590-C620 PolarHBondContact NE2-O 2.83Å; I593-C620 HydrophobicContact CG2-CB 3.56Å; C594-C620 WeakPolarHBondContact SG-CB 3.41Å; T618-C620 PolarHBondContact O-N 2.87Å; C620-K624 PolarHBondContact N-O 2.66Å; C620-K624 VanDerWaalsContact N-O 3.1Å; C620-K624 WeakPolarHBondContact SG-CB 3.44Å; C620-W625 VanDerWaalsContact SG-CA 3.55Å; C620-W625 PolarHBondContact SG-N 3.36Å; C620-W625 PolarHBondContact SG-O 3.16Å; C620-C631 HydrophobicContact CB-CB 3.86Å; C620-C631 WeakPolarHBondContact CB-SG 3.3Å; C620-C631 WeakPolarHBondContact SG-CA 3.04Å; C620-C631 WeakPolarHBondContact SG-CB 3.35Å; C620-C631 CovalentContact SG-SG 2.04Å; C620-C631 PolarHBondContact SG-SG 2.79Å
621	D	74	Confident	66.9	Low	67 Å²	67	53.6 Å²	53.6	36%	0.358	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	162.2	178.5	-136.9	-3.5	0	0	0	106.8	G623 K624	D621-G623 PolarHBondContact O-N 2.88Å; D621-K624 HydrophobicContact CB-CB 3.63Å; D621-K624 HydrophobicContact CB-CD 3.57Å; D621-K624 HydrophobicContact CB-CG 3.72Å; D621-K624 PolarHBondContact O-N 3.34Å; D621-K624 VanDerWaalsContact OD2-CE 3.3Å; D621-K624 WeakPolarHBondContact OD2-CE 3.18Å; D621-K624 IonicContact OD2-NZ 2.68Å; D621-K624 PolarHBondContact OD2-NZ 2.89Å
622	P	71.4	Confident	67.8	Low	123 Å²	123	49.3 Å²	49.3	80%	0.799	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	109.8	177.9	-25.6	36.1	0	0	0	111.9
623	G	61.1	Low	68.3	Low	40 Å²	40	51.8 Å²	51.8	41%	0.412	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	27.6	-173.3	0	0	0	0	0	114.1	D621 R634	D621-G623 PolarHBondContact O-N 2.88Å; G623-R634 WeakPolarHBondContact O-CB 3.46Å; G623-R634 PolarHBondContact O-N 2.82Å
624	K	77.1	Confident	68.4	Low	76 Å²	76	53 Å²	53	33%	0.33	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	155.2	172.5	-55.9	-169.1	-160.9	156.9	0	112	C620 D621 T632	C620-K624 PolarHBondContact N-O 2.66Å; C620-K624 VanDerWaalsContact N-O 3.1Å; C620-K624 WeakPolarHBondContact SG-CB 3.44Å; D621-K624 HydrophobicContact CB-CB 3.63Å; D621-K624 HydrophobicContact CB-CD 3.57Å; D621-K624 HydrophobicContact CB-CG 3.72Å; D621-K624 PolarHBondContact O-N 3.34Å; D621-K624 VanDerWaalsContact OD2-CE 3.3Å; D621-K624 WeakPolarHBondContact OD2-CE 3.18Å; D621-K624 IonicContact OD2-NZ 2.68Å; D621-K624 PolarHBondContact OD2-NZ 2.89Å; K624-T632 CarbonylContact C-O 3.48Å; K624-T632 WeakPolarHBondContact CA-O 3.4Å; K624-T632 WeakPolarHBondContact CB-O 3.41Å
625	W	75.3	Confident	67.2	Low	47 Å²	47	59.2 Å²	59.2	18%	0.178	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	155.1	179.6	68.2	-10	0	0	0	113.2	L564 M567 T618 C620 T632 R634	L564-W625 HydrophobicContact CD1-CH2 3.56Å; L564-W625 HydrophobicContact CD1-CZ2 4.5Å; L564-W625 HydrophobicContact CD1-CZ3 3.74Å; M567-W625 HydrophobicContact CE-CZ3 4.29Å; M567-W625 HydrophobicContact CG-CE3 4.34Å; M567-W625 HydrophobicContact CG-CZ3 4.08Å; M567-W625 HydrophobicContact SD-CZ3 3.79Å; T618-W625 CarbonylContact O-C 3.58Å; T618-W625 WeakPolarHBondContact O-CA 3.1Å; T618-W625 WeakPolarHBondContact O-CB 3.26Å; C620-W625 VanDerWaalsContact SG-CA 3.55Å; C620-W625 PolarHBondContact SG-N 3.36Å; C620-W625 PolarHBondContact SG-O 3.16Å; W625-T632 PolarHBondContact N-O 2.75Å; W625-T632 PolarHBondContact NE1-OG1 3.19Å; W625-T632 VanDerWaalsContact NE1-OG1 3.11Å; W625-T632 PolarHBondContact O-N 2.75Å; W625-T632 PolarHBondContact O-OG1 2.71Å; W625-R634 HydrophobicContact CB-CG 4.01Å; W625-R634 HydrophobicContact CG-CG 4.07Å
626	C	72.3	Confident	65.4	Low	1 Å²	1	64.3 Å²	64.3	1%	0.007	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	136.8	171.5	-62.4	0	0	0	0	111.3	C594 P614 D616 G617 T618 E630	C594-C626 WeakPolarHBondContact CA-SG 3.31Å; C594-C626 HydrophobicContact CB-CB 3.71Å; C594-C626 WeakPolarHBondContact CB-SG 3.47Å; C594-C626 WeakPolarHBondContact SG-CA 3.23Å; C594-C626 WeakPolarHBondContact SG-CB 3.21Å; C594-C626 CovalentContact SG-SG 2.04Å; C594-C626 PolarHBondContact SG-SG 2.83Å; P614-C626 HydrophobicContact CG-CB 4.13Å; P614-C626 VanDerWaalsContact CG-SG 3.58Å; D616-C626 WeakPolarHBondContact CA-O 3.38Å; G617-C626 PolarHBondContact N-O 3.42Å; T618-C626 PolarHBondContact O-N 2.79Å; C626-E630 CarbonylContact C-O 3.54Å; C626-E630 WeakPolarHBondContact CA-O 3.43Å
627	K	61.8	Low	63.8	Low	108 Å²	108	65.6 Å²	65.6	47%	0.47	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	123.6	170.9	-167.3	-179.9	-179.3	178.3	0	110.3	D616 G629 E630	D616-K627 WeakPolarHBondContact OD1-CA 3.43Å; D616-K627 WeakPolarHBondContact OD2-CG 3.48Å; K627-G629 PolarHBondContact O-N 2.91Å; K627-G629 VanDerWaalsContact O-N 3.15Å; K627-E630 PolarHBondContact N-O 3.04Å; K627-E630 PolarHBondContact O-N 2.56Å
628	A	51.8	Low	62.5	Low	57 Å²	57	71.6 Å²	71.6	47%	0.471	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	39	178	0	0	0	0	0	114.6	D616	D616-A628 PolarHBondContact OD1-N 3.23Å
629	G	56.5	Low	60.4	Low	21 Å²	21	80.3 Å²	80.3	22%	0.216	48%	0.475	C	S	.	.	T	Hydrogen-bonded Turn	trans	94	-14.2	-178.9	0	0	0	0	0	115.9	C594 T595 K627	C594-G629 CarbonylContact C-O 3.4Å; C594-G629 VanDerWaalsContact C-O 3.27Å; C594-G629 WeakPolarHBondContact CB-O 3.09Å; C594-G629 CarbonylContact O-C 3.51Å; C594-G629 WeakPolarHBondContact O-CA 3.3Å; T595-G629 WeakPolarHBondContact CG2-O 3.31Å; K627-G629 PolarHBondContact O-N 2.91Å; K627-G629 VanDerWaalsContact O-N 3.15Å
630	E	68.7	Low	58.6	Low	139 Å²	139	84.3 Å²	84.3	65%	0.65	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.8	149	-173.2	-64.6	-168.2	161.1	0	0	113.9	C626 K627 T632	C626-E630 CarbonylContact C-O 3.54Å; C626-E630 WeakPolarHBondContact CA-O 3.43Å; K627-E630 PolarHBondContact N-O 3.04Å; K627-E630 PolarHBondContact O-N 2.56Å; E630-T632 HydrophobicContact CB-CG2 4.25Å
631	C	79.4	Confident	56.7	Low	54 Å²	54	91 Å²	91	37%	0.365	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	104.5	177.1	-178	0	0	0	0	111.2	C594 C620	C594-C631 VanDerWaalsContact SG-CB 3.58Å; C620-C631 HydrophobicContact CB-CB 3.86Å; C620-C631 WeakPolarHBondContact CB-SG 3.3Å; C620-C631 WeakPolarHBondContact SG-CA 3.04Å; C620-C631 WeakPolarHBondContact SG-CB 3.35Å; C620-C631 CovalentContact SG-SG 2.04Å; C620-C631 PolarHBondContact SG-SG 2.79Å
632	T	71	Confident	55.4	Low	46 Å²	46	91.8 Å²	91.8	28%	0.282	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	159	-169.8	64.3	0	0	0	0	112.4	K624 W625 E630	K624-T632 CarbonylContact C-O 3.48Å; K624-T632 WeakPolarHBondContact CA-O 3.4Å; K624-T632 WeakPolarHBondContact CB-O 3.41Å; W625-T632 PolarHBondContact N-O 2.75Å; W625-T632 PolarHBondContact NE1-OG1 3.19Å; W625-T632 VanDerWaalsContact NE1-OG1 3.11Å; W625-T632 PolarHBondContact O-N 2.75Å; W625-T632 PolarHBondContact O-OG1 2.71Å; E630-T632 HydrophobicContact CB-CG2 4.25Å
633	S	59.8	Low	54.6	Low	90 Å²	90	87.2 Å²	87.2	63%	0.629	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	137.5	-174.3	-163.6	0	0	0	0	113.7	T635	S633-T635 PolarHBondContact O-N 2.76Å
634	R	61.5	Low	54.3	Low	87 Å²	87	90.8 Å²	90.8	33%	0.328	52%	0.523	S	S	.	.			trans	-76.9	108.5	167.9	-76.5	-179.1	161.2	173.8	1	109.5	G617 D619 G623 W625 S636	G617-R634 PolarHBondContact O-NH2 3.34Å; D619-R634 IonicContact OD1-CZ 2.84Å; D619-R634 IonicContact OD1-NE 4Å; D619-R634 IonicContact OD1-NH1 3.47Å; D619-R634 PolarHBondContact OD1-NH1 3.13Å; D619-R634 IonicContact OD1-NH2 3.53Å; D619-R634 IonicContact OD2-CZ 3.2Å; D619-R634 IonicContact OD2-NH1 3.46Å; D619-R634 PolarHBondContact OD2-NH1 2.92Å; D619-R634 IonicContact OD2-NH2 3.93Å; D619-R634 PolarHBondContact OD2-NH2 3.14Å; G623-R634 WeakPolarHBondContact O-CB 3.46Å; G623-R634 PolarHBondContact O-N 2.82Å; W625-R634 HydrophobicContact CB-CG 4.01Å; W625-R634 HydrophobicContact CG-CG 4.07Å; R634-S636 PolarHBondContact O-N 2.68Å
635	T	42.7	Very low	53.8	Low	136 Å²	136	90.5 Å²	90.5	83%	0.834	52%	0.52	S	S	*	.			trans	-62.8	126.4	161.8	29	0	0	0	0	109.6	S633	S633-T635 PolarHBondContact O-N 2.76Å
636	S	31.5	Very low	53.2	Low	124 Å²	124	91 Å²	91	87%	0.867	53%	0.531	S	S	*	.			trans	-89.4	139	-169.3	49.6	0	0	0	0	113.5	R634	R634-S636 PolarHBondContact O-N 2.68Å
637	A	27.3	Very low	52.9	Low	83 Å²	83	98.4 Å²	98.4	69%	0.686	57%	0.569	S	S	*	*			trans	-130.2	153.7	167.3	0	0	0	0	0	109.9
638	P	36.5	Very low	53.2	Low	127 Å²	127	96 Å²	96	83%	0.825	56%	0.557	S	S	*	*			trans	-85	159.2	-158.9	-13.7	32	0	0	0	116
639	E	31.9	Very low	53.8	Low	183 Å²	183	95.3 Å²	95.3	86%	0.855	55%	0.549	S	S	*	.			trans	-93.8	143.8	-177.6	-171.7	174.3	-146.8	0	0	112.5
640	H	37.3	Very low	54.2	Low	158 Å²	158	99.2 Å²	99.2	73%	0.731	57%	0.571	S	S	*	*			trans	-104.6	142.2	178.9	-91.4	-94.3	0	0	0	112.5	E644	H640-E644 IonicContact CE1-OE2 3.53Å; H640-E644 IonicContact CG-OE2 3.13Å; H640-E644 IonicContact ND1-OE2 4Å; H640-E644 PolarHBondContact ND1-OE2 2.97Å
641	L	42.5	Very low	54.4	Low	145 Å²	145	94.3 Å²	94.3	76%	0.759	55%	0.552	S	S	*	*			trans	-93.4	156.9	-169.6	-68.7	168.5	0	0	0	114.1
642	A	47	Very low	54	Low	82 Å²	82	94.2 Å²	94.2	68%	0.678	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	134.4	-175.5	0	0	0	0	0	113.5	P667	A642-P667 HydrophobicContact CB-CB 4.25Å
643	G	52.8	Low	53.7	Low	28 Å²	28	94.1 Å²	94.1	29%	0.289	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	113.3	-15.2	178.7	0	0	0	0	0	114.8	K665	G643-K665 WeakPolarHBondContact CA-O 3.45Å; G643-K665 PolarHBondContact N-O 3.39Å
644	E	56.2	Low	53.8	Low	115 Å²	115	96 Å²	96	54%	0.537	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-70.7	157.8	177.3	-62.8	-159.5	120.1	0	0	113.2	H640 R664	H640-E644 IonicContact CE1-OE2 3.53Å; H640-E644 IonicContact CG-OE2 3.13Å; H640-E644 IonicContact ND1-OE2 4Å; H640-E644 PolarHBondContact ND1-OE2 2.97Å; E644-R664 VanDerWaalsContact O-CB 3.23Å; E644-R664 WeakPolarHBondContact O-CB 3.15Å
645	W	65.5	Low	53.8	Low	69 Å²	69	93.4 Å²	93.4	26%	0.261	55%	0.548	S	S	.	.	B	Isolated β-bridge	trans	-83.5	141.1	174.5	-73.7	99.5	0	0	0	111.4	R662 R664 P679 R680 Q682	W645-R662 HydrophobicContact CD2-CG 4.41Å; W645-R662 HydrophobicContact CE3-CG 3.79Å; W645-R662 HydrophobicContact CZ3-CG 4.31Å; W645-R662 WeakPolarHBondContact CZ3-O 3.37Å; W645-R664 HydrophobicContact CD2-CB 4Å; W645-R664 HydrophobicContact CD2-CG 3.99Å; W645-R664 HydrophobicContact CE3-CB 3.87Å; W645-R664 HydrophobicContact CE3-CG 3.85Å; W645-R664 HydrophobicContact CG-CB 4.35Å; W645-R664 HydrophobicContact CH2-CG 4.1Å; W645-R664 HydrophobicContact CZ2-CG 4.22Å; W645-R664 VanDerWaalsContact CZ2-NE 3.35Å; W645-R664 HydrophobicContact CZ3-CB 4.37Å; W645-R664 HydrophobicContact CZ3-CG 3.91Å; W645-P679 HydrophobicContact CH2-CG 4.39Å; W645-P679 WeakPolarHBondContact CH2-O 3.14Å; W645-P679 WeakPolarHBondContact CZ2-O 3.43Å; W645-R680 WeakPolarHBondContact CZ3-O 3.48Å; W645-Q682 HydrophobicContact CH2-CB 3.73Å; W645-Q682 HydrophobicContact CZ2-CB 4.35Å; W645-Q682 HydrophobicContact CZ3-CB 3.84Å
646	S	63.9	Low	55	Low	58 Å²	58	88.8 Å²	88.8	41%	0.406	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-58.6	162.9	169.2	78	0	0	0	0	111.9	R662 E663	S646-R662 WeakPolarHBondContact OG-CB 3.49Å; S646-E663 VanDerWaalsContact CB-O 3.31Å; S646-E663 WeakPolarHBondContact CB-O 3.26Å; S646-E663 PolarHBondContact N-O 3.09Å; S646-E663 PolarHBondContact OG-N 3.39Å; S646-E663 PolarHBondContact OG-O 3.32Å
647	L	66.1	Low	56.7	Low	156 Å²	156	84.7 Å²	84.7	82%	0.817	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-55	153.6	160.1	-62.5	177.1	0	0	0	110.5
648	W	66.6	Low	59	Low	58 Å²	58	80.8 Å²	80.8	22%	0.22	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-75.3	137.2	175.7	-71.7	101.4	0	0	0	111	R662 Q682 R684 L775	W648-R662 HydrophobicContact CD2-CB 4.03Å; W648-R662 HydrophobicContact CD2-CG 3.87Å; W648-R662 VanDerWaalsContact CE2-CD 3.4Å; W648-R662 HydrophobicContact CE3-CB 3.85Å; W648-R662 HydrophobicContact CE3-CG 3.72Å; W648-R662 HydrophobicContact CG-CB 4.46Å; W648-R662 HydrophobicContact CH2-CG 3.87Å; W648-R662 HydrophobicContact CZ2-CG 4Å; W648-R662 HydrophobicContact CZ3-CB 4.27Å; W648-R662 HydrophobicContact CZ3-CG 3.72Å; W648-Q682 HydrophobicContact CH2-CB 4.19Å; W648-Q682 HydrophobicContact CH2-CG 4Å; W648-Q682 WeakPolarHBondContact CZ3-O 3.3Å; W648-R684 HydrophobicContact CD2-CG 4Å; W648-R684 HydrophobicContact CE3-CB 4.35Å; W648-R684 HydrophobicContact CE3-CG 3.65Å; W648-R684 VanDerWaalsContact CG-CZ 3.49Å; W648-R684 HydrophobicContact CH2-CB 3.72Å; W648-R684 HydrophobicContact CH2-CG 3.94Å; W648-R684 HydrophobicContact CZ2-CB 4.19Å; W648-R684 HydrophobicContact CZ2-CG 4.27Å; W648-R684 HydrophobicContact CZ3-CB 3.81Å; W648-R684 HydrophobicContact CZ3-CG 3.63Å; W648-L775 HydrophobicContact CH2-CD2 3.52Å; W648-L775 HydrophobicContact CZ2-CD2 3.67Å
649	S	64.1	Low	60.8	Low	43 Å²	43	75 Å²	75	30%	0.301	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-60.5	161.9	173.8	76.3	0	0	0	0	112.4	S660 S661	S649-S660 WeakPolarHBondContact O-CB 3.43Å; S649-S660 PolarHBondContact O-OG 3.16Å; S649-S660 WeakPolarHBondContact OG-CA 3.29Å; S649-S661 WeakPolarHBondContact CB-O 3.25Å; S649-S661 PolarHBondContact N-O 2.8Å; S649-S661 PolarHBondContact OG-N 3Å; S649-S661 PolarHBondContact OG-O 2.94Å
650	P	66.7	Low	63	Low	103 Å²	103	66.5 Å²	66.5	67%	0.669	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-50.3	163	160.8	-26.2	35.9	0	0	0	112.8	S660	P650-S660 PolarHBondContact O-OG 2.97Å
651	C	72	Confident	64.8	Low	36 Å²	36	60.1 Å²	60.1	24%	0.243	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-76.1	138.4	179.2	-162.7	0	0	0	0	111.4	R653 C686 N688	C651-R653 PolarHBondContact O-N 2.8Å; C651-R653 VanDerWaalsContact O-N 3.16Å; C651-R653 PolarHBondContact SG-O 2.88Å; C651-C686 WeakPolarHBondContact CA-SG 3.43Å; C651-C686 HydrophobicContact CB-CB 3.75Å; C651-C686 WeakPolarHBondContact CB-SG 3.4Å; C651-C686 WeakPolarHBondContact SG-CB 3.5Å; C651-C686 CovalentContact SG-SG 2.02Å; C651-C686 PolarHBondContact SG-SG 3.45Å; C651-N688 PolarHBondContact SG-ND2 2.88Å
652	S	70.6	Confident	66.4	Low	52 Å²	52	56.1 Å²	56.1	36%	0.364	33%	0.334	S	S	.	.	S	Bend	trans	-70.5	-5.9	179.4	71.3	0	0	0	0	115	I659 D750	S652-I659 WeakPolarHBondContact CB-O 3.47Å; S652-I659 PolarHBondContact N-O 2.84Å; S652-I659 PolarHBondContact OG-N 3.06Å; S652-I659 PolarHBondContact OG-O 3.33Å; S652-D750 WeakPolarHBondContact CB-O 2.96Å; S652-D750 PolarHBondContact OG-O 2.99Å
653	R	65.6	Low	67.7	Low	43 Å²	43	56.9 Å²	56.9	16%	0.162	32%	0.323	C	S	.	.			trans	-137.8	149.9	175	-65.5	-179.2	61.6	-158.3	1.6	109.8	C651 C655 A657 N688 F698	C651-R653 PolarHBondContact O-N 2.8Å; C651-R653 VanDerWaalsContact O-N 3.16Å; C651-R653 PolarHBondContact SG-O 2.88Å; R653-C655 VanDerWaalsContact CZ-O 3.32Å; R653-C655 PolarHBondContact NE-O 3.15Å; R653-C655 PolarHBondContact NH2-O 3.49Å; R653-C655 VanDerWaalsContact NH2-O 3.15Å; R653-A657 WeakPolarHBondContact CD-O 3.37Å; R653-A657 PolarHBondContact NH1-O 2.76Å; R653-N688 PolarHBondContact O-ND2 2.81Å; R653-F698 HydrophobicContact CG-CE1 4.11Å; R653-F698 HydrophobicContact CG-CE2 4.39Å; R653-F698 HydrophobicContact CG-CZ 3.99Å
654	T	61.8	Low	68.8	Low	130 Å²	130	58.1 Å²	58.1	80%	0.798	32%	0.319	S	S	*	.	S	Bend	trans	-97.3	-15.5	177.8	50.3	0	0	0	0	113.6	N688	T654-N688 WeakPolarHBondContact O-CB 3.3Å
655	C	60.2	Low	68.9	Low	32 Å²	32	61.4 Å²	61.4	22%	0.216	33%	0.332	C	S	.	.	S	Bend	trans	-139	145.8	174.4	68	0	0	0	0	111.4	R653 P689 C691	R653-C655 VanDerWaalsContact CZ-O 3.32Å; R653-C655 PolarHBondContact NE-O 3.15Å; R653-C655 PolarHBondContact NH2-O 3.49Å; R653-C655 VanDerWaalsContact NH2-O 3.15Å; C655-P689 CarbonylContact C-O 3.57Å; C655-P689 WeakPolarHBondContact CA-O 3.19Å; C655-P689 VanDerWaalsContact CB-O 3.3Å; C655-P689 WeakPolarHBondContact CB-O 3.35Å; C655-C691 HydrophobicContact CB-CB 3.9Å; C655-C691 WeakPolarHBondContact CB-SG 3.42Å; C655-C691 PolarHBondContact O-SG 2.86Å; C655-C691 VanDerWaalsContact SG-CA 3.58Å; C655-C691 WeakPolarHBondContact SG-CB 3.13Å; C655-C691 CovalentContact SG-SG 2.04Å; C655-C691 PolarHBondContact SG-SG 2.87Å
656	S	68.1	Low	68.7	Low	40 Å²	40	60.2 Å²	60.2	28%	0.28	33%	0.334	S	S	.	.	S	Bend	trans	55.6	-173	-166.8	-52.6	0	0	0	0	113.2	G658 N688 P689 C691	S656-G658 PolarHBondContact O-N 2.85Å; S656-N688 WeakPolarHBondContact CA-O 3.26Å; S656-N688 PolarHBondContact N-O 2.8Å; S656-N688 WeakPolarHBondContact O-CB 2.92Å; S656-N688 PolarHBondContact O-N 3.14Å; S656-N688 PolarHBondContact O-ND2 3.15Å; S656-P689 PolarHBondContact N-O 3.24Å; S656-C691 PolarHBondContact OG-N 2.86Å
657	A	67.9	Low	68.5	Low	38 Å²	38	62 Å²	62	31%	0.314	34%	0.343	S	S	.	.	S	Bend	trans	-65.8	130.6	-179.6	0	0	0	0	0	112.8	R653 C686	R653-A657 WeakPolarHBondContact CD-O 3.37Å; R653-A657 PolarHBondContact NH1-O 2.76Å; A657-C686 WeakPolarHBondContact CA-O 3.46Å
658	G	74.9	Confident	67.8	Low	0 Å²	0	57.7 Å²	57.7	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	-163.6	169.1	0	0	0	0	0	110.8	S656 I685 C686	S656-G658 PolarHBondContact O-N 2.85Å; G658-I685 WeakPolarHBondContact O-CA 3.48Å; G658-C686 PolarHBondContact N-O 2.73Å; G658-C686 PolarHBondContact O-N 3.31Å; G658-C686 PolarHBondContact O-SG 3.5Å
659	I	76	Confident	67.1	Low	6 Å²	6	63.8 Å²	63.8	3%	0.031	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147.6	177.6	62.5	168.5	0	0	0	114.4	S652 Y683 R684 C686 D750 I761 A763 L776	S652-I659 WeakPolarHBondContact CB-O 3.47Å; S652-I659 PolarHBondContact N-O 2.84Å; S652-I659 PolarHBondContact OG-N 3.06Å; S652-I659 PolarHBondContact OG-O 3.33Å; I659-Y683 HydrophobicContact CD1-CD1 3.71Å; I659-Y683 HydrophobicContact CD1-CE1 4.13Å; I659-R684 CarbonylContact C-O 3.53Å; I659-R684 WeakPolarHBondContact CA-O 3.04Å; I659-R684 VanDerWaalsContact CB-O 3.29Å; I659-R684 WeakPolarHBondContact CB-O 3.47Å; I659-C686 VanDerWaalsContact CA-SG 3.5Å; I659-C686 PolarHBondContact N-SG 3.06Å; I659-C686 VanDerWaalsContact N-SG 3.42Å; I659-D750 HydrophobicContact CD1-CB 3.78Å; I659-D750 HydrophobicContact CG1-CB 4.36Å; I659-I761 HydrophobicContact CG2-CG2 3.85Å; I659-A763 HydrophobicContact CD1-CB 3.76Å; I659-L776 HydrophobicContact CD1-CD2 4.38Å; I659-L776 HydrophobicContact CG2-CD1 3.85Å; I659-L776 HydrophobicContact CG2-CD2 3.84Å
660	S	76.3	Confident	66.1	Low	4 Å²	4	65 Å²	65	3%	0.028	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	156.5	166.7	-66.3	0	0	0	0	109.8	S649 P650 Y683 R684	S649-S660 WeakPolarHBondContact O-CB 3.43Å; S649-S660 PolarHBondContact O-OG 3.16Å; S649-S660 WeakPolarHBondContact OG-CA 3.29Å; P650-S660 PolarHBondContact O-OG 2.97Å; S660-Y683 CarbonylContact O-C 3.58Å; S660-Y683 WeakPolarHBondContact O-CA 3.33Å; S660-R684 PolarHBondContact N-O 2.87Å; S660-R684 PolarHBondContact O-N 2.94Å
661	S	76.9	Confident	64.9	Low	24 Å²	24	66.3 Å²	66.3	17%	0.168	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	157.7	174	71.3	0	0	0	0	113	S649 K681 Q682	S649-S661 WeakPolarHBondContact CB-O 3.25Å; S649-S661 PolarHBondContact N-O 2.8Å; S649-S661 PolarHBondContact OG-N 3Å; S649-S661 PolarHBondContact OG-O 2.94Å; S661-K681 WeakPolarHBondContact OG-CE 3.45Å; S661-Q682 CarbonylContact C-O 3.32Å; S661-Q682 WeakPolarHBondContact CA-O 3.44Å; S661-Q682 WeakPolarHBondContact CB-O 3.41Å
662	R	74.4	Confident	63.7	Low	61 Å²	61	72.4 Å²	72.4	23%	0.23	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	157.5	172.5	67	175.8	179.2	177.8	-4.5	111.2	W645 S646 W648 K681 Q682	W645-R662 HydrophobicContact CD2-CG 4.41Å; W645-R662 HydrophobicContact CE3-CG 3.79Å; W645-R662 HydrophobicContact CZ3-CG 4.31Å; W645-R662 WeakPolarHBondContact CZ3-O 3.37Å; S646-R662 WeakPolarHBondContact OG-CB 3.49Å; W648-R662 HydrophobicContact CD2-CB 4.03Å; W648-R662 HydrophobicContact CD2-CG 3.87Å; W648-R662 VanDerWaalsContact CE2-CD 3.4Å; W648-R662 HydrophobicContact CE3-CB 3.85Å; W648-R662 HydrophobicContact CE3-CG 3.72Å; W648-R662 HydrophobicContact CG-CB 4.46Å; W648-R662 HydrophobicContact CH2-CG 3.87Å; W648-R662 HydrophobicContact CZ2-CG 4Å; W648-R662 HydrophobicContact CZ3-CB 4.27Å; W648-R662 HydrophobicContact CZ3-CG 3.72Å; R662-K681 CarbonylContact O-C 3.36Å; R662-K681 WeakPolarHBondContact O-CA 3.43Å; R662-Q682 HydrophobicContact CG-CB 4.14Å; R662-Q682 PolarHBondContact N-O 2.8Å; R662-Q682 PolarHBondContact O-N 2.84Å
663	E	75.5	Confident	62.4	Low	98 Å²	98	74.4 Å²	74.4	46%	0.458	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	160.1	-173.8	-67.6	-178.6	-161.4	0	0	111.6	S646 R680 K681	S646-E663 VanDerWaalsContact CB-O 3.31Å; S646-E663 WeakPolarHBondContact CB-O 3.26Å; S646-E663 PolarHBondContact N-O 3.09Å; S646-E663 PolarHBondContact OG-N 3.39Å; S646-E663 PolarHBondContact OG-O 3.32Å; E663-R680 CarbonylContact C-O 3.57Å; E663-R680 VanDerWaalsContact CA-O 3.3Å; E663-R680 WeakPolarHBondContact CA-O 3.26Å; E663-K681 HydrophobicContact CG-CB 3.95Å; E663-K681 HydrophobicContact CG-CD 3.98Å; E663-K681 HydrophobicContact CG-CG 3.73Å; E663-K681 VanDerWaalsContact OE1-CD 3.28Å; E663-K681 WeakPolarHBondContact OE1-CD 3.33Å; E663-K681 WeakPolarHBondContact OE1-CE 3.28Å; E663-K681 IonicContact OE1-NZ 3.21Å; E663-K681 PolarHBondContact OE1-NZ 3.39Å
664	R	74.9	Confident	61.7	Low	54 Å²	54	83 Å²	83	20%	0.204	48%	0.481	C	S	.	.	B	Isolated β-bridge	trans	-136.8	143	175.1	59.8	176.8	172.3	160.3	5	112.5	E644 W645 N677 G678 P679 R680	E644-R664 VanDerWaalsContact O-CB 3.23Å; E644-R664 WeakPolarHBondContact O-CB 3.15Å; W645-R664 HydrophobicContact CD2-CB 4Å; W645-R664 HydrophobicContact CD2-CG 3.99Å; W645-R664 HydrophobicContact CE3-CB 3.87Å; W645-R664 HydrophobicContact CE3-CG 3.85Å; W645-R664 HydrophobicContact CG-CB 4.35Å; W645-R664 HydrophobicContact CH2-CG 4.1Å; W645-R664 HydrophobicContact CZ2-CG 4.22Å; W645-R664 VanDerWaalsContact CZ2-NE 3.35Å; W645-R664 HydrophobicContact CZ3-CB 4.37Å; W645-R664 HydrophobicContact CZ3-CG 3.91Å; R664-N677 PolarHBondContact NH2-O 3.49Å; R664-G678 PolarHBondContact NH2-O 3.48Å; R664-P679 PolarHBondContact NE-O 2.76Å; R664-P679 PolarHBondContact NH2-O 3.31Å; R664-R680 PolarHBondContact N-O 2.99Å
665	K	60	Low	61.4	Low	185 Å²	185	82.3 Å²	82.3	80%	0.804	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-91.6	122.8	168.6	-67.9	-176.5	178.4	-179.6	0	108.6	G643	G643-K665 WeakPolarHBondContact CA-O 3.45Å; G643-K665 PolarHBondContact N-O 3.39Å
666	C	59.7	Low	61.4	Low	44 Å²	44	81.8 Å²	81.8	30%	0.297	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-91.2	140.5	178.5	-60.7	0	0	0	0	110.2	C676	C666-C676 HydrophobicContact CB-CB 4.23Å; C666-C676 WeakPolarHBondContact CB-SG 3.41Å; C666-C676 WeakPolarHBondContact SG-CB 3.38Å; C666-C676 CovalentContact SG-SG 2.03Å; C666-C676 PolarHBondContact SG-SG 3.18Å
667	P	59.9	Low	60.9	Low	94 Å²	94	87.6 Å²	87.6	61%	0.61	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-71	132.4	-173.7	27.6	-34.6	0	0	0	112	A642	A642-P667 HydrophobicContact CB-CB 4.25Å
668	G	51.5	Low	60.6	Low	67 Å²	67	88 Å²	88	69%	0.691	51%	0.505	S	S	*	.			trans	-154.5	124.8	172.9	0	0	0	0	0	110.4
669	L	52.2	Low	60.1	Low	185 Å²	185	91.7 Å²	91.7	97%	0.969	53%	0.529	S	S	*	.			trans	-121.3	119.7	172.5	-89.7	159.9	0	0	0	106.9
670	G	43.7	Very low	59.9	Low	69 Å²	69	98.2 Å²	98.2	71%	0.711	55%	0.553	S	S	*	*	S	Bend	trans	94.1	170.1	-174	0	0	0	0	0	114.4	E672	G670-E672 VanDerWaalsContact C-N 3.31Å; G670-E672 PolarHBondContact O-N 3.26Å; G670-E672 VanDerWaalsContact O-N 3.1Å
671	S	41.6	Very low	59.8	Low	131 Å²	131	101.9 Å²	101.9	92%	0.916	57%	0.568	S	S	*	*	S	Bend	trans	-81.7	19.2	-156.6	58.4	0	0	0	0	117.1
672	E	46.7	Very low	59.9	Low	163 Å²	163	102.7 Å²	102.7	76%	0.762	57%	0.57	S	S	*	*			trans	-126.8	99.8	173.4	-71.6	-166	164.2	0	0	110.9	G670 R674	G670-E672 VanDerWaalsContact C-N 3.31Å; G670-E672 PolarHBondContact O-N 3.26Å; G670-E672 VanDerWaalsContact O-N 3.1Å; E672-R674 PolarHBondContact O-N 2.03Å
673	A	42	Very low	60.3	Low	94 Å²	94	101 Å²	101	78%	0.777	56%	0.564	S	S	*	*			trans	-72.6	89.9	-179.7	0	0	0	0	0	111.4	D675	A673-D675 PolarHBondContact O-N 3.39Å
674	R	51.4	Low	60.6	Low	224 Å²	224	100.7 Å²	100.7	85%	0.845	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-62.1	125.8	168.3	-70.8	-171.7	176.1	-167	-1.8	109.8	E672	E672-R674 PolarHBondContact O-N 2.03Å
675	D	55.9	Low	60.8	Low	115 Å²	115	100.1 Å²	100.1	62%	0.615	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-71.6	157.5	-176.5	-144.1	-19.1	0	0	0	112.2	A673 R680	A673-D675 PolarHBondContact O-N 3.39Å; D675-R680 VanDerWaalsContact CG-NH2 3.3Å; D675-R680 IonicContact OD1-CZ 3.93Å; D675-R680 VanDerWaalsContact OD1-CZ 3.3Å; D675-R680 IonicContact OD1-NE 3.53Å; D675-R680 PolarHBondContact OD1-NE 3.23Å; D675-R680 IonicContact OD1-NH2 3.97Å; D675-R680 PolarHBondContact OD1-NH2 2.81Å; D675-R680 IonicContact OD2-NH2 2.62Å
676	C	59.5	Low	61.6	Low	22 Å²	22	92.3 Å²	92.3	15%	0.149	53%	0.527	C	S	.	.	P	Polyproline II helix	trans	-67.4	135.3	-176.5	-54.2	0	0	0	0	111.5	C666 G678 R680	C666-C676 HydrophobicContact CB-CB 4.23Å; C666-C676 WeakPolarHBondContact CB-SG 3.41Å; C666-C676 WeakPolarHBondContact SG-CB 3.38Å; C666-C676 CovalentContact SG-SG 2.03Å; C666-C676 PolarHBondContact SG-SG 3.18Å; C676-G678 VanDerWaalsContact CB-O 3.3Å; C676-G678 WeakPolarHBondContact CB-O 3.26Å; C676-G678 PolarHBondContact O-N 2.94Å; C676-R680 HydrophobicContact CB-CG 4.37Å
677	N	57.2	Low	62.1	Low	162 Å²	162	98.4 Å²	98.4	87%	0.866	55%	0.551	S	S	*	*	S	Bend	trans	-67.6	96.8	164.6	-85.4	-38.5	0	0	0	109.4	R664	R664-N677 PolarHBondContact NH2-O 3.49Å
678	G	62.5	Low	62.4	Low	45 Å²	45	96.2 Å²	96.2	46%	0.464	53%	0.534	S	S	.	.	S	Bend	trans	91.8	172.6	-172.7	0	0	0	0	0	113.6	R664 C676	R664-G678 PolarHBondContact NH2-O 3.48Å; C676-G678 VanDerWaalsContact CB-O 3.3Å; C676-G678 WeakPolarHBondContact CB-O 3.26Å; C676-G678 PolarHBondContact O-N 2.94Å
679	P	65.2	Low	63.3	Low	78 Å²	78	97.7 Å²	97.7	51%	0.506	53%	0.532	S	S	.	.			trans	-60.3	156.5	-167.9	24.5	-35.4	0	0	0	114.5	W645 R664	W645-P679 HydrophobicContact CH2-CG 4.39Å; W645-P679 WeakPolarHBondContact CH2-O 3.14Å; W645-P679 WeakPolarHBondContact CZ2-O 3.43Å; R664-P679 PolarHBondContact NE-O 2.76Å; R664-P679 PolarHBondContact NH2-O 3.31Å
680	R	70.8	Confident	63.8	Low	144 Å²	144	94.2 Å²	94.2	54%	0.543	52%	0.52	S	S	.	.	S	Bend	trans	-85.1	-27.5	172.7	-64.7	-175.8	-173.6	-164.7	5.9	113.2	W645 E663 R664 D675 C676	W645-R680 WeakPolarHBondContact CZ3-O 3.48Å; E663-R680 CarbonylContact C-O 3.57Å; E663-R680 VanDerWaalsContact CA-O 3.3Å; E663-R680 WeakPolarHBondContact CA-O 3.26Å; R664-R680 PolarHBondContact N-O 2.99Å; D675-R680 VanDerWaalsContact CG-NH2 3.3Å; D675-R680 IonicContact OD1-CZ 3.93Å; D675-R680 VanDerWaalsContact OD1-CZ 3.3Å; D675-R680 IonicContact OD1-NE 3.53Å; D675-R680 PolarHBondContact OD1-NE 3.23Å; D675-R680 IonicContact OD1-NH2 3.97Å; D675-R680 PolarHBondContact OD1-NH2 2.81Å; D675-R680 IonicContact OD2-NH2 2.62Å; C676-R680 HydrophobicContact CB-CG 4.37Å
681	K	73.8	Confident	64.9	Low	80 Å²	80	92.9 Å²	92.9	35%	0.348	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	136.9	177.4	-173.1	165.5	-167.5	146.5	0	110	S661 R662 E663 Y683	S661-K681 WeakPolarHBondContact OG-CE 3.45Å; R662-K681 CarbonylContact O-C 3.36Å; R662-K681 WeakPolarHBondContact O-CA 3.43Å; E663-K681 HydrophobicContact CG-CB 3.95Å; E663-K681 HydrophobicContact CG-CD 3.98Å; E663-K681 HydrophobicContact CG-CG 3.73Å; E663-K681 VanDerWaalsContact OE1-CD 3.28Å; E663-K681 WeakPolarHBondContact OE1-CD 3.33Å; E663-K681 WeakPolarHBondContact OE1-CE 3.28Å; E663-K681 IonicContact OE1-NZ 3.21Å; E663-K681 PolarHBondContact OE1-NZ 3.39Å; K681-Y683 HydrophobicContact CD-CE2 4.07Å; K681-Y683 HydrophobicContact CG-CE2 3.9Å
682	Q	79.2	Confident	66.3	Low	42 Å²	42	91 Å²	91	20%	0.196	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	150.7	178.9	-162.8	177.6	37	0	0	109.9	W645 W648 S661 R662 L775	W645-Q682 HydrophobicContact CH2-CB 3.73Å; W645-Q682 HydrophobicContact CZ2-CB 4.35Å; W645-Q682 HydrophobicContact CZ3-CB 3.84Å; W648-Q682 HydrophobicContact CH2-CB 4.19Å; W648-Q682 HydrophobicContact CH2-CG 4Å; W648-Q682 WeakPolarHBondContact CZ3-O 3.3Å; S661-Q682 CarbonylContact C-O 3.32Å; S661-Q682 WeakPolarHBondContact CA-O 3.44Å; S661-Q682 WeakPolarHBondContact CB-O 3.41Å; R662-Q682 HydrophobicContact CG-CB 4.14Å; R662-Q682 PolarHBondContact N-O 2.8Å; R662-Q682 PolarHBondContact O-N 2.84Å; Q682-L775 HydrophobicContact CG-CD2 4.23Å
683	Y	82.3	Confident	66.9	Low	26 Å²	26	88.4 Å²	88.4	10%	0.102	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	145.6	-177.7	-69.2	-95.6	0	0	0	110.5	I659 S660 K681 D750 A763 L775 L776	I659-Y683 HydrophobicContact CD1-CD1 3.71Å; I659-Y683 HydrophobicContact CD1-CE1 4.13Å; S660-Y683 CarbonylContact O-C 3.58Å; S660-Y683 WeakPolarHBondContact O-CA 3.33Å; K681-Y683 HydrophobicContact CD-CE2 4.07Å; K681-Y683 HydrophobicContact CG-CE2 3.9Å; Y683-D750 WeakPolarHBondContact CE1-OD2 3.49Å; Y683-A763 HydrophobicContact CD1-CB 3.98Å; Y683-A763 HydrophobicContact CD2-CB 4.43Å; Y683-A763 HydrophobicContact CE1-CB 4.1Å; Y683-A763 HydrophobicContact CG-CB 4.13Å; Y683-L775 WeakPolarHBondContact O-CA 3.33Å; Y683-L776 PolarHBondContact O-N 2.88Å
684	R	83.6	Confident	67.5	Low	90 Å²	90	88 Å²	88	34%	0.34	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	156.1	173	69.6	173	-177.3	-176.5	-0.2	111.7	W648 I659 S660 G774 L775	W648-R684 HydrophobicContact CD2-CG 4Å; W648-R684 HydrophobicContact CE3-CB 4.35Å; W648-R684 HydrophobicContact CE3-CG 3.65Å; W648-R684 VanDerWaalsContact CG-CZ 3.49Å; W648-R684 HydrophobicContact CH2-CB 3.72Å; W648-R684 HydrophobicContact CH2-CG 3.94Å; W648-R684 HydrophobicContact CZ2-CB 4.19Å; W648-R684 HydrophobicContact CZ2-CG 4.27Å; W648-R684 HydrophobicContact CZ3-CB 3.81Å; W648-R684 HydrophobicContact CZ3-CG 3.63Å; I659-R684 CarbonylContact C-O 3.53Å; I659-R684 WeakPolarHBondContact CA-O 3.04Å; I659-R684 VanDerWaalsContact CB-O 3.29Å; I659-R684 WeakPolarHBondContact CB-O 3.47Å; S660-R684 PolarHBondContact N-O 2.87Å; S660-R684 PolarHBondContact O-N 2.94Å; R684-G774 CarbonylContact C-O 3.46Å; R684-G774 WeakPolarHBondContact CA-O 3.48Å; R684-G774 WeakPolarHBondContact CB-O 3.29Å; R684-L775 HydrophobicContact CB-CD2 3.99Å
685	I	78.7	Confident	67.8	Low	42 Å²	42	82.5 Å²	82.5	22%	0.215	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	148.6	160.9	-80.9	-162.9	0	0	0	110.4	G658 E687 I761 V770 G774 L776	G658-I685 WeakPolarHBondContact O-CA 3.48Å; I685-E687 HydrophobicContact CG2-CG 3.92Å; I685-I761 HydrophobicContact CD1-CD1 3.63Å; I685-I761 HydrophobicContact CG1-CD1 3.9Å; I685-V770 HydrophobicContact CD1-CB 4.33Å; I685-V770 HydrophobicContact CD1-CG1 3.78Å; I685-V770 HydrophobicContact CD1-CG2 3.81Å; I685-V770 HydrophobicContact CG1-CG1 3.9Å; I685-V770 HydrophobicContact CG1-CG2 4Å; I685-G774 PolarHBondContact N-O 3.36Å; I685-L776 HydrophobicContact CG1-CD1 4.11Å
686	C	76.4	Confident	68.2	Low	21 Å²	21	79.3 Å²	79.3	14%	0.142	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	133.2	160.1	37.1	0	0	0	0	108.6	C651 A657 G658 I659	C651-C686 WeakPolarHBondContact CA-SG 3.43Å; C651-C686 HydrophobicContact CB-CB 3.75Å; C651-C686 WeakPolarHBondContact CB-SG 3.4Å; C651-C686 WeakPolarHBondContact SG-CB 3.5Å; C651-C686 CovalentContact SG-SG 2.02Å; C651-C686 PolarHBondContact SG-SG 3.45Å; A657-C686 WeakPolarHBondContact CA-O 3.46Å; G658-C686 PolarHBondContact N-O 2.73Å; G658-C686 PolarHBondContact O-N 3.31Å; G658-C686 PolarHBondContact O-SG 3.5Å; I659-C686 VanDerWaalsContact CA-SG 3.5Å; I659-C686 PolarHBondContact N-SG 3.06Å; I659-C686 VanDerWaalsContact N-SG 3.42Å
687	E	69.5	Low	68.6	Low	173 Å²	173	80 Å²	80	81%	0.808	48%	0.479	S	S	*	.			trans	-99.7	129.2	-178.7	-62.8	-175.1	159	0	0	109.9	I685	I685-E687 HydrophobicContact CG2-CG 3.92Å
688	N	67.7	Low	69.5	Low	47 Å²	47	74.7 Å²	74.7	25%	0.251	45%	0.448	S	S	.	.			trans	-123.8	162.9	177	-48.2	-84.3	0	0	0	109.7	C651 R653 T654 S656	C651-N688 PolarHBondContact SG-ND2 2.88Å; R653-N688 PolarHBondContact O-ND2 2.81Å; T654-N688 WeakPolarHBondContact O-CB 3.3Å; S656-N688 WeakPolarHBondContact CA-O 3.26Å; S656-N688 PolarHBondContact N-O 2.8Å; S656-N688 WeakPolarHBondContact O-CB 2.92Å; S656-N688 PolarHBondContact O-N 3.14Å; S656-N688 PolarHBondContact O-ND2 3.15Å
689	P	69.9	Low	70.4	Confident	99 Å²	99	73.5 Å²	73.5	64%	0.643	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-51.9	144.8	176.8	-26.6	35.8	0	0	0	112.5	C655 S656 C691	C655-P689 CarbonylContact C-O 3.57Å; C655-P689 WeakPolarHBondContact CA-O 3.19Å; C655-P689 VanDerWaalsContact CB-O 3.3Å; C655-P689 WeakPolarHBondContact CB-O 3.35Å; S656-P689 PolarHBondContact N-O 3.24Å; P689-C691 PolarHBondContact O-N 2.85Å
690	P	62.4	Low	71	Confident	112 Å²	112	72.1 Å²	72.1	73%	0.727	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-60.2	139.7	-178.5	25.6	-34.5	0	0	0	111.5
691	C	66.8	Low	71.3	Confident	40 Å²	40	71.3 Å²	71.3	27%	0.27	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-61.6	148.7	178	-55	0	0	0	0	112	C655 S656 P689	C655-C691 HydrophobicContact CB-CB 3.9Å; C655-C691 WeakPolarHBondContact CB-SG 3.42Å; C655-C691 PolarHBondContact O-SG 2.86Å; C655-C691 VanDerWaalsContact SG-CA 3.58Å; C655-C691 WeakPolarHBondContact SG-CB 3.13Å; C655-C691 CovalentContact SG-SG 2.04Å; C655-C691 PolarHBondContact SG-SG 2.87Å; S656-C691 PolarHBondContact OG-N 2.86Å; P689-C691 PolarHBondContact O-N 2.85Å
692	P	71.8	Confident	71.6	Confident	92 Å²	92	67.9 Å²	67.9	60%	0.597	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-52	141.3	176.7	-29.2	35	0	0	0	114.3	L695	P692-L695 HydrophobicContact CB-CD1 3.98Å; P692-L695 HydrophobicContact CB-CG 4.47Å; P692-L695 HydrophobicContact CG-CD1 4.15Å
693	A	58.1	Low	71.4	Confident	108 Å²	108	65.9 Å²	65.9	89%	0.893	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	143.4	179.1	0	0	0	0	0	111.8
694	G	55.3	Low	70.9	Confident	87 Å²	87	66.7 Å²	66.7	90%	0.897	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.5	-7.3	-177.3	0	0	0	0	0	115
695	L	57.6	Low	70	Confident	107 Å²	107	65 Å²	65	56%	0.56	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-75.9	145.9	171.2	-67.2	175.1	0	0	0	111.9	P692	P692-L695 HydrophobicContact CB-CD1 3.98Å; P692-L695 HydrophobicContact CB-CG 4.47Å; P692-L695 HydrophobicContact CG-CD1 4.15Å
696	P	64.3	Low	69.1	Low	48 Å²	48	67.6 Å²	67.6	31%	0.312	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-62.6	154.8	171.6	28	-36.1	0	0	0	111.7	D700 W701	P696-D700 HydrophobicContact CB-CB 4.15Å; P696-W701 HydrophobicContact CG-CB 4.03Å; P696-W701 HydrophobicContact CG-CG 4.49Å
697	G	67.7	Low	67.9	Low	36 Å²	36	67.4 Å²	67.4	37%	0.371	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-57.9	150.2	173.8	0	0	0	0	0	111.5	R699 D700 W701	G697-R699 PolarHBondContact O-N 2.82Å; G697-D700 WeakPolarHBondContact CA-OD2 3.14Å; G697-D700 CarbonylContact O-C 3.56Å; G697-D700 PolarHBondContact O-N 3.34Å; G697-W701 WeakPolarHBondContact O-CB 3.48Å; G697-W701 PolarHBondContact O-N 3Å
698	F	76.9	Confident	67	Low	52 Å²	52	65.2 Å²	65.2	23%	0.228	41%	0.405	C	S	.	.	H	α-helix	trans	-60.4	-21.6	-172.5	-175.2	-115.3	0	0	0	114.1	R653 Q702 M749 T752	R653-F698 HydrophobicContact CG-CE1 4.11Å; R653-F698 HydrophobicContact CG-CE2 4.39Å; R653-F698 HydrophobicContact CG-CZ 3.99Å; F698-Q702 WeakPolarHBondContact O-CG 3.34Å; F698-Q702 PolarHBondContact O-NE2 2.89Å; F698-M749 HydrophobicContact CE1-CB 4.3Å; F698-M749 HydrophobicContact CZ-CB 4.34Å; F698-M749 HydrophobicContact CZ-SD 4.17Å; F698-T752 HydrophobicContact CD1-CG2 4.39Å; F698-T752 WeakPolarHBondContact CE1-OG1 3.37Å
699	R	80.8	Confident	65.9	Low	20 Å²	20	73.2 Å²	73.2	8%	0.075	43%	0.432	C	S	.	.	H	α-helix	trans	-83.5	-41.3	172.5	-159.1	-173.6	-176.9	115.6	-3.2	111.7	G697 W701 Q702 C703 A721 P728 A730 L731 T752 S753	G697-R699 PolarHBondContact O-N 2.82Å; R699-W701 VanDerWaalsContact C-N 3.33Å; R699-Q702 WeakPolarHBondContact O-CB 3.4Å; R699-Q702 PolarHBondContact O-N 3.45Å; R699-C703 PolarHBondContact O-N 3.2Å; R699-C703 VanDerWaalsContact O-N 3.14Å; R699-A721 HydrophobicContact CB-CB 3.91Å; R699-A721 HydrophobicContact CG-CB 3.55Å; R699-P728 PolarHBondContact NH1-O 3.05Å; R699-P728 PolarHBondContact NH2-O 3.13Å; R699-A730 PolarHBondContact NH2-O 3.11Å; R699-L731 HydrophobicContact CG-CD1 4.23Å; R699-T752 HydrophobicContact CB-CG2 3.96Å; R699-T752 HydrophobicContact CG-CG2 3.97Å; R699-S753 PolarHBondContact NH1-O 2.83Å
700	D	77.1	Confident	64.6	Low	48 Å²	48	73.3 Å²	73.3	26%	0.257	43%	0.431	S	S	.	.	H	α-helix	trans	-65.8	-36.4	175.2	-49.8	-77.2	0	0	0	111.9	P696 G697 Q702 C703 Q704 A721	P696-D700 HydrophobicContact CB-CB 4.15Å; G697-D700 WeakPolarHBondContact CA-OD2 3.14Å; G697-D700 CarbonylContact O-C 3.56Å; G697-D700 PolarHBondContact O-N 3.34Å; D700-Q702 VanDerWaalsContact C-N 3.33Å; D700-C703 CarbonylContact O-C 3.5Å; D700-C703 WeakPolarHBondContact O-CA 3.42Å; D700-C703 WeakPolarHBondContact O-CB 3.36Å; D700-C703 PolarHBondContact O-N 3.41Å; D700-C703 VanDerWaalsContact O-N 3.1Å; D700-Q704 WeakPolarHBondContact O-CB 3.4Å; D700-Q704 VanDerWaalsContact O-CG 3.31Å; D700-Q704 WeakPolarHBondContact O-CG 3.43Å; D700-Q704 PolarHBondContact O-N 3.39Å; D700-A721 WeakPolarHBondContact OD1-CB 3.49Å; D700-A721 PolarHBondContact OD1-N 2.02Å
701	W	77.6	Confident	63.3	Low	127 Å²	127	71 Å²	71	48%	0.481	42%	0.418	S	S	.	.	H	α-helix	trans	-60.4	-42.2	170.9	-176.7	83.5	0	0	0	111.6	P696 G697 R699 C703 Q704 A705 M749	P696-W701 HydrophobicContact CG-CB 4.03Å; P696-W701 HydrophobicContact CG-CG 4.49Å; G697-W701 WeakPolarHBondContact O-CB 3.48Å; G697-W701 PolarHBondContact O-N 3Å; R699-W701 VanDerWaalsContact C-N 3.33Å; W701-C703 VanDerWaalsContact C-N 3.27Å; W701-C703 PolarHBondContact O-N 2.86Å; W701-Q704 PolarHBondContact O-N 3.46Å; W701-A705 WeakPolarHBondContact O-CB 3.11Å; W701-A705 PolarHBondContact O-N 3.21Å; W701-M749 HydrophobicContact CZ3-CE 4.49Å
702	Q	79.6	Confident	62	Low	8 Å²	8	74.2 Å²	74.2	4%	0.037	44%	0.44	C	S	.	.	H	α-helix	trans	-60.5	-36.6	172.8	-77.1	166.8	82.1	0	0	111.3	F698 R699 D700 Y706 L731 M749 T752	F698-Q702 WeakPolarHBondContact O-CG 3.34Å; F698-Q702 PolarHBondContact O-NE2 2.89Å; R699-Q702 WeakPolarHBondContact O-CB 3.4Å; R699-Q702 PolarHBondContact O-N 3.45Å; D700-Q702 VanDerWaalsContact C-N 3.33Å; Q702-Y706 WeakPolarHBondContact O-CD2 3.44Å; Q702-L731 HydrophobicContact CB-CD1 3.84Å; Q702-L731 HydrophobicContact CB-CD2 3.99Å; Q702-M749 HydrophobicContact CG-CE 4.4Å; Q702-M749 HydrophobicContact CG-SD 4.3Å; Q702-T752 PolarHBondContact NE2-OG1 2.98Å
703	C	76.2	Confident	60.7	Low	0 Å²	0	76.2 Å²	76.2	0%	0	45%	0.453	C	S	.	.	H	α-helix	trans	-71.1	-42.9	172.7	-67.5	0	0	0	0	113.7	R699 D700 W701 A705 Y706 S707 W719 A721 C733	R699-C703 PolarHBondContact O-N 3.2Å; R699-C703 VanDerWaalsContact O-N 3.14Å; D700-C703 CarbonylContact O-C 3.5Å; D700-C703 WeakPolarHBondContact O-CA 3.42Å; D700-C703 WeakPolarHBondContact O-CB 3.36Å; D700-C703 PolarHBondContact O-N 3.41Å; D700-C703 VanDerWaalsContact O-N 3.1Å; W701-C703 VanDerWaalsContact C-N 3.27Å; W701-C703 PolarHBondContact O-N 2.86Å; C703-A705 VanDerWaalsContact C-N 3.3Å; C703-A705 PolarHBondContact O-N 2.8Å; C703-Y706 WeakPolarHBondContact O-CB 3.5Å; C703-Y706 PolarHBondContact O-N 2.82Å; C703-S707 PolarHBondContact O-N 3.07Å; C703-W719 HydrophobicContact CB-CB 4.48Å; C703-A721 VanDerWaalsContact SG-CA 3.5Å; C703-C733 WeakPolarHBondContact CA-SG 3.25Å; C703-C733 HydrophobicContact CB-CB 3.69Å; C703-C733 WeakPolarHBondContact CB-SG 2.99Å; C703-C733 WeakPolarHBondContact SG-CB 3.3Å; C703-C733 CovalentContact SG-SG 2.03Å; C703-C733 PolarHBondContact SG-SG 3.32Å
704	Q	70.8	Confident	59.8	Low	44 Å²	44	80.3 Å²	80.3	21%	0.206	45%	0.451	C	S	.	.	H	α-helix	trans	-71.2	-25.2	-177.3	-70.8	167.8	17.2	0	0	112.4	D700 W701 Y706 S707 W719	D700-Q704 WeakPolarHBondContact O-CB 3.4Å; D700-Q704 VanDerWaalsContact O-CG 3.31Å; D700-Q704 WeakPolarHBondContact O-CG 3.43Å; D700-Q704 PolarHBondContact O-N 3.39Å; W701-Q704 PolarHBondContact O-N 3.46Å; Q704-Y706 PolarHBondContact O-N 3.39Å; Q704-S707 WeakPolarHBondContact CA-OG 3.44Å; Q704-S707 PolarHBondContact O-N 2.73Å; Q704-S707 PolarHBondContact O-OG 2.92Å; Q704-W719 VanDerWaalsContact CG-O 3.29Å; Q704-W719 WeakPolarHBondContact CG-O 3.16Å; Q704-W719 PolarHBondContact NE2-O 2.77Å
705	A	65.4	Low	59.3	Low	53 Å²	53	83.7 Å²	83.7	44%	0.438	44%	0.443	S	S	.	.	H	α-helix	trans	-60.4	-26.9	167.4	0	0	0	0	0	113	W701 C703	W701-A705 WeakPolarHBondContact O-CB 3.11Å; W701-A705 PolarHBondContact O-N 3.21Å; C703-A705 VanDerWaalsContact C-N 3.3Å; C703-A705 PolarHBondContact O-N 2.8Å
706	Y	58.9	Low	58.8	Low	98 Å²	98	85.2 Å²	85.2	38%	0.384	46%	0.457	S	S	.	.	H	α-helix	trans	-88.7	-32.8	173.2	-69.2	-77.1	0	0	0	113.3	Q702 C703 Q704 V708 R709 L731 L744	Q702-Y706 WeakPolarHBondContact O-CD2 3.44Å; C703-Y706 WeakPolarHBondContact O-CB 3.5Å; C703-Y706 PolarHBondContact O-N 2.82Å; Q704-Y706 PolarHBondContact O-N 3.39Å; Y706-V708 PolarHBondContact O-N 2.8Å; Y706-R709 WeakPolarHBondContact O-CB 3.22Å; Y706-R709 PolarHBondContact O-N 2.73Å; Y706-L731 HydrophobicContact CD2-CD2 4.24Å; Y706-L731 HydrophobicContact CE2-CD2 3.8Å; Y706-L744 HydrophobicContact CD2-CB 4.39Å; Y706-L744 HydrophobicContact CD2-CD1 3.74Å; Y706-L744 HydrophobicContact CE2-CB 4.5Å; Y706-L744 HydrophobicContact CG-CD1 3.8Å
707	S	52.7	Low	58.4	Low	16 Å²	16	87.1 Å²	87.1	11%	0.112	46%	0.463	C	S	.	.	H	α-helix	trans	-60.4	-33.4	-175.6	64	0	0	0	0	113.8	C703 Q704 R709 T710	C703-S707 PolarHBondContact O-N 3.07Å; Q704-S707 WeakPolarHBondContact CA-OG 3.44Å; Q704-S707 PolarHBondContact O-N 2.73Å; Q704-S707 PolarHBondContact O-OG 2.92Å; S707-R709 PolarHBondContact O-N 3.19Å; S707-T710 PolarHBondContact O-N 3.12Å; S707-T710 PolarHBondContact O-OG1 2.97Å
708	V	48.7	Very low	58	Low	127 Å²	127	91 Å²	91	77%	0.77	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.7	178	-179.7	0	0	0	0	112.4	Y706	Y706-V708 PolarHBondContact O-N 2.8Å
709	R	46.1	Very low	57.8	Low	216 Å²	216	90.2 Å²	90.2	82%	0.815	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-11	179.4	-91.8	178.8	161.7	176.1	-6.9	115.1	Y706 S707	Y706-R709 WeakPolarHBondContact O-CB 3.22Å; Y706-R709 PolarHBondContact O-N 2.73Å; S707-R709 PolarHBondContact O-N 3.19Å
710	T	42.6	Very low	57.8	Low	100 Å²	100	93 Å²	93	61%	0.613	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.4	-1	-160.1	53.5	0	0	0	0	117	S707	S707-T710 PolarHBondContact O-N 3.12Å; S707-T710 PolarHBondContact O-OG1 2.97Å
711	S	35	Very low	58	Low	65 Å²	65	91.8 Å²	91.8	46%	0.455	48%	0.478	S	S	.	.			trans	-129.6	119.8	-175.6	59.4	0	0	0	0	114.1
712	S	38.3	Very low	58.3	Low	107 Å²	107	87.5 Å²	87.5	75%	0.748	47%	0.466	S	S	*	.			trans	-64.6	156.1	171.5	-48.6	0	0	0	0	112.3	K714	S712-K714 PolarHBondContact O-N 2.72Å
713	P	44.4	Very low	58.1	Low	133 Å²	133	90.2 Å²	90.2	86%	0.864	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	61.5	-152.9	35.5	-39.2	0	0	0	114.5
714	K	40.8	Very low	58.3	Low	194 Å²	194	92.6 Å²	92.6	84%	0.843	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.4	-27.3	171.7	-75	-163.2	171.8	-173.7	0	116.6	S712	S712-K714 PolarHBondContact O-N 2.72Å
715	H	44.1	Very low	58.5	Low	158 Å²	158	97.1 Å²	97.1	73%	0.731	51%	0.514	S	S	*	.			trans	-140.7	117.8	166.2	-70.6	-73.3	0	0	0	111	L717	H715-L717 VanDerWaalsContact C-N 3.28Å; H715-L717 PolarHBondContact O-N 3.12Å
716	V	47.2	Very low	59	Low	140 Å²	140	103 Å²	103	85%	0.848	53%	0.532	S	S	*	.			trans	-78.5	82.3	171.4	-176.2	0	0	0	0	108.1	Q718	V716-Q718 PolarHBondContact O-N 3.18Å; V716-Q718 VanDerWaalsContact O-N 3.14Å
717	L	54.5	Low	60.1	Low	87 Å²	87	103.8 Å²	103.8	46%	0.455	54%	0.538	S	S	.	.			trans	-65.2	110.5	164.8	-76.5	167.9	0	0	0	107.6	H715 P735	H715-L717 VanDerWaalsContact C-N 3.28Å; H715-L717 PolarHBondContact O-N 3.12Å; L717-P735 HydrophobicContact CB-CB 4Å; L717-P735 HydrophobicContact CD1-CB 4.27Å
718	Q	60.5	Low	61.5	Low	118 Å²	118	104.6 Å²	104.6	55%	0.551	54%	0.543	S	S	*	.			trans	-68.4	133.4	173.6	-177.1	175.1	19.4	0	0	108.9	V716 I736	V716-Q718 PolarHBondContact O-N 3.18Å; V716-Q718 VanDerWaalsContact O-N 3.14Å; Q718-I736 HydrophobicContact CB-CD1 4.04Å; Q718-I736 HydrophobicContact CG-CD1 3.98Å; Q718-I736 WeakPolarHBondContact O-CB 3.08Å; Q718-I736 WeakPolarHBondContact O-CG1 3.04Å; Q718-I736 PolarHBondContact O-N 3.16Å
719	W	73.1	Confident	63.4	Low	36 Å²	36	98.9 Å²	98.9	14%	0.136	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	144.2	179	-70.1	60.7	0	0	0	110.9	C703 Q704 C733 S734 P735 I742	C703-W719 HydrophobicContact CB-CB 4.48Å; Q704-W719 VanDerWaalsContact CG-O 3.29Å; Q704-W719 WeakPolarHBondContact CG-O 3.16Å; Q704-W719 PolarHBondContact NE2-O 2.77Å; W719-C733 HydrophobicContact CE3-CB 3.9Å; W719-C733 HydrophobicContact CZ3-CB 4.34Å; W719-S734 WeakPolarHBondContact CA-O 3.44Å; W719-P735 HydrophobicContact CD2-CB 4.25Å; W719-P735 HydrophobicContact CG-CB 4.48Å; W719-P735 HydrophobicContact CZ2-CB 4.49Å; W719-P735 HydrophobicContact CZ2-CG 4.48Å; W719-I742 HydrophobicContact CH2-CD1 4.19Å; W719-I742 HydrophobicContact CZ3-CD1 4.38Å
720	Q	79.9	Confident	65.3	Low	79 Å²	79	88.7 Å²	88.7	37%	0.369	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	153.4	177.3	60.8	179.5	15.3	0	0	109.9	C733 S734 I736	Q720-C733 WeakPolarHBondContact O-CA 3.29Å; Q720-S734 PolarHBondContact N-O 3.1Å; Q720-S734 PolarHBondContact O-N 3.02Å; Q720-I736 HydrophobicContact CB-CG1 4.22Å; Q720-I736 HydrophobicContact CG-CG1 4.07Å
721	A	80.6	Confident	67.3	Low	21 Å²	21	84.1 Å²	84.1	17%	0.174	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	136.5	170.5	0	0	0	0	0	110.8	R699 D700 C703	R699-A721 HydrophobicContact CB-CB 3.91Å; R699-A721 HydrophobicContact CG-CB 3.55Å; D700-A721 WeakPolarHBondContact OD1-CB 3.49Å; D700-A721 PolarHBondContact OD1-N 2.02Å; C703-A721 VanDerWaalsContact SG-CA 3.5Å
722	V	84.3	Confident	69.8	Low	38 Å²	38	82.3 Å²	82.3	23%	0.23	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	137.9	170.5	-178.1	0	0	0	0	108.3	F732 P741	V722-F732 HydrophobicContact CB-CB 4.16Å; V722-F732 PolarHBondContact N-O 2.89Å; V722-P741 HydrophobicContact CB-CB 4Å; V722-P741 HydrophobicContact CG1-CB 4.08Å; V722-P741 HydrophobicContact CG1-CG 4.41Å; V722-P741 HydrophobicContact CG2-CB 4.04Å
723	L	76.8	Confident	72	Confident	65 Å²	65	77.2 Å²	77.2	34%	0.34	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-90.8	126.2	170.1	-82.5	160.5	0	0	0	108.3
724	D	80.1	Confident	73.8	Confident	50 Å²	50	71 Å²	71	27%	0.267	35%	0.351	S	S	.	.			trans	-105.5	130.9	172.8	179.9	-89.2	0	0	0	108.6	E726 K727 P728 F732	D724-E726 PolarHBondContact OD1-N 2.91Å; D724-E726 VanDerWaalsContact OD1-N 3.11Å; D724-K727 CarbonylContact O-C 3.53Å; D724-K727 PolarHBondContact OD1-N 3.42Å; D724-P728 WeakPolarHBondContact O-CA 3.5Å; D724-P728 WeakPolarHBondContact O-CB 3.16Å; D724-P728 VanDerWaalsContact O-N 3.09Å; D724-F732 HydrophobicContact CB-CD2 3.49Å; D724-F732 VanDerWaalsContact CB-CD2 3.49Å; D724-F732 HydrophobicContact CB-CE2 3.39Å; D724-F732 HydrophobicContact CB-CG 4.34Å; D724-F732 HydrophobicContact CB-CZ 4.18Å
725	E	74.3	Confident	75.5	Confident	138 Å²	138	62.4 Å²	62.4	65%	0.645	31%	0.314	S	S	*	.	S	Bend	trans	-74.2	-29	-173.1	-69.4	-82.3	-148.6	0	0	112.7	Y756	E725-Y756 WeakPolarHBondContact OE1-CE2 3.4Å; E725-Y756 WeakPolarHBondContact OE2-CE2 3.31Å
726	E	76.9	Confident	76.7	Confident	176 Å²	176	58.8 Å²	58.8	82%	0.822	30%	0.299	S	S	*	.	S	Bend	trans	-82.9	-34.2	179	-60.6	-167.4	169.3	0	0	111.9	D724 P728	D724-E726 PolarHBondContact OD1-N 2.91Å; D724-E726 VanDerWaalsContact OD1-N 3.11Å; E726-P728 VanDerWaalsContact C-CD 3.4Å
727	K	81.9	Confident	77.4	Confident	116 Å²	116	55.9 Å²	55.9	50%	0.504	30%	0.298	S	S	.	.			trans	-127.8	60.8	-177.5	-61.5	178.2	-176.2	176.6	0	111.3	D724 C729 A730 F732	D724-K727 CarbonylContact O-C 3.53Å; D724-K727 PolarHBondContact OD1-N 3.42Å; K727-C729 PolarHBondContact O-N 2.74Å; K727-A730 HydrophobicContact CB-CB 3.94Å; K727-A730 WeakPolarHBondContact O-CB 3.44Å; K727-A730 PolarHBondContact O-N 3.07Å; K727-F732 HydrophobicContact CB-CE2 4.19Å
728	P	81.4	Confident	77.9	Confident	33 Å²	33	58.6 Å²	58.6	21%	0.214	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-8.3	-174	27.5	-37	0	0	0	114.7	R699 D724 E726 C754 C767	R699-P728 PolarHBondContact NH1-O 3.05Å; R699-P728 PolarHBondContact NH2-O 3.13Å; D724-P728 WeakPolarHBondContact O-CA 3.5Å; D724-P728 WeakPolarHBondContact O-CB 3.16Å; D724-P728 VanDerWaalsContact O-N 3.09Å; E726-P728 VanDerWaalsContact C-CD 3.4Å; P728-C754 HydrophobicContact CB-CB 4.21Å; P728-C754 WeakPolarHBondContact O-CB 3.03Å; P728-C767 HydrophobicContact CG-CB 4.06Å
729	C	88.4	Confident	77.8	Confident	6 Å²	6	62.4 Å²	62.4	4%	0.041	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	10.8	170.7	-70.8	0	0	0	0	115	K727 K747 V748 C762 G765 C767	K727-C729 PolarHBondContact O-N 2.74Å; C729-K747 CarbonylContact O-C 3.51Å; C729-K747 WeakPolarHBondContact O-CA 3.33Å; C729-V748 HydrophobicContact CB-CG2 4.29Å; C729-V748 WeakPolarHBondContact O-CG2 3.47Å; C729-V748 PolarHBondContact O-N 2.03Å; C729-C762 WeakPolarHBondContact CA-SG 3.38Å; C729-C762 HydrophobicContact CB-CB 3.95Å; C729-C762 WeakPolarHBondContact CB-SG 3.29Å; C729-C762 WeakPolarHBondContact SG-CA 3.38Å; C729-C762 WeakPolarHBondContact SG-CB 3.42Å; C729-C762 CovalentContact SG-SG 2.04Å; C729-C762 PolarHBondContact SG-SG 3.48Å; C729-G765 WeakPolarHBondContact CB-O 3.39Å; C729-C767 WeakPolarHBondContact SG-CA 3.36Å; C729-C767 PolarHBondContact SG-N 2.95Å
730	A	86.1	Confident	77.6	Confident	3 Å²	3	68.7 Å²	68.7	3%	0.025	36%	0.355	C	S	.	.	S	Bend	trans	-90.3	147.9	165.8	0	0	0	0	0	110.8	R699 K727 F732 L743	R699-A730 PolarHBondContact NH2-O 3.11Å; K727-A730 HydrophobicContact CB-CB 3.94Å; K727-A730 WeakPolarHBondContact O-CB 3.44Å; K727-A730 PolarHBondContact O-N 3.07Å; A730-F732 HydrophobicContact CB-CD2 4.08Å; A730-F732 HydrophobicContact CB-CE2 3.74Å; A730-F732 PolarHBondContact O-N 3.21Å; A730-L743 HydrophobicContact CB-CD1 3.84Å
731	L	85.3	Confident	77.5	Confident	4 Å²	4	67.9 Å²	67.9	2%	0.021	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	90	179.4	-171.8	65.8	0	0	0	109.9	R699 Q702 Y706 L744 S745 V748	R699-L731 HydrophobicContact CG-CD1 4.23Å; Q702-L731 HydrophobicContact CB-CD1 3.84Å; Q702-L731 HydrophobicContact CB-CD2 3.99Å; Y706-L731 HydrophobicContact CD2-CD2 4.24Å; Y706-L731 HydrophobicContact CE2-CD2 3.8Å; L731-L744 HydrophobicContact CD2-CB 4.29Å; L731-L744 PolarHBondContact O-N 3.01Å; L731-S745 PolarHBondContact N-O 3.15Å; L731-S745 PolarHBondContact O-N 3.04Å; L731-V748 HydrophobicContact CB-CG1 3.9Å; L731-V748 HydrophobicContact CD1-CG1 4.07Å
732	F	86.4	Confident	77.4	Confident	26 Å²	26	71 Å²	71	11%	0.114	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	137.1	166.2	-68.8	-87.6	0	0	0	110.2	V722 D724 K727 A730 P741 I742 L743	V722-F732 HydrophobicContact CB-CB 4.16Å; V722-F732 PolarHBondContact N-O 2.89Å; D724-F732 HydrophobicContact CB-CD2 3.49Å; D724-F732 VanDerWaalsContact CB-CD2 3.49Å; D724-F732 HydrophobicContact CB-CE2 3.39Å; D724-F732 HydrophobicContact CB-CG 4.34Å; D724-F732 HydrophobicContact CB-CZ 4.18Å; K727-F732 HydrophobicContact CB-CE2 4.19Å; A730-F732 HydrophobicContact CB-CD2 4.08Å; A730-F732 HydrophobicContact CB-CE2 3.74Å; A730-F732 PolarHBondContact O-N 3.21Å; F732-P741 HydrophobicContact CB-CB 4.21Å; F732-P741 HydrophobicContact CD1-CB 4.32Å; F732-I742 WeakPolarHBondContact CA-O 3.03Å; F732-L743 HydrophobicContact CD1-CB 4Å; F732-L743 HydrophobicContact CD1-CD1 4.3Å; F732-L743 HydrophobicContact CD2-CD1 4.37Å; F732-L743 HydrophobicContact CE1-CB 3.79Å; F732-L743 HydrophobicContact CE1-CD1 4.09Å; F732-L743 HydrophobicContact CE1-CG 4.41Å; F732-L743 HydrophobicContact CE2-CD1 4.16Å; F732-L743 HydrophobicContact CG-CD1 4.46Å; F732-L743 HydrophobicContact CZ-CB 4.47Å; F732-L743 HydrophobicContact CZ-CD1 4.03Å
733	C	85.9	Confident	77.3	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	145.5	-178.7	-54.6	0	0	0	0	110.7	C703 W719 Q720 I742 L744	C703-C733 WeakPolarHBondContact CA-SG 3.25Å; C703-C733 HydrophobicContact CB-CB 3.69Å; C703-C733 WeakPolarHBondContact CB-SG 2.99Å; C703-C733 WeakPolarHBondContact SG-CB 3.3Å; C703-C733 CovalentContact SG-SG 2.03Å; C703-C733 PolarHBondContact SG-SG 3.32Å; W719-C733 HydrophobicContact CE3-CB 3.9Å; W719-C733 HydrophobicContact CZ3-CB 4.34Å; Q720-C733 WeakPolarHBondContact O-CA 3.29Å; C733-I742 PolarHBondContact N-O 3.45Å; C733-I742 PolarHBondContact O-N 2.92Å; C733-L744 HydrophobicContact CB-CD1 3.83Å; C733-L744 HydrophobicContact CB-CG 4.19Å; C733-L744 VanDerWaalsContact SG-CD1 3.55Å
734	S	82.1	Confident	77.3	Confident	4 Å²	4	72.2 Å²	72.2	3%	0.028	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	150.8	167.8	62.3	0	0	0	0	111.5	W719 Q720	W719-S734 WeakPolarHBondContact CA-O 3.44Å; Q720-S734 PolarHBondContact N-O 3.1Å; Q720-S734 PolarHBondContact O-N 3.02Å
735	P	76.5	Confident	77.2	Confident	13 Å²	13	71.8 Å²	71.8	8%	0.084	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	137.2	164.4	29.3	-31.8	0	0	0	109.1	L717 W719 G737 K738	L717-P735 HydrophobicContact CB-CB 4Å; L717-P735 HydrophobicContact CD1-CB 4.27Å; W719-P735 HydrophobicContact CD2-CB 4.25Å; W719-P735 HydrophobicContact CG-CB 4.48Å; W719-P735 HydrophobicContact CZ2-CB 4.49Å; W719-P735 HydrophobicContact CZ2-CG 4.48Å; P735-G737 PolarHBondContact O-N 3.42Å; P735-K738 HydrophobicContact CG-CB 4.22Å; P735-K738 HydrophobicContact CG-CD 4.23Å; P735-K738 HydrophobicContact CG-CG 4.38Å; P735-K738 PolarHBondContact O-N 3.3Å; P735-K738 VanDerWaalsContact O-N 3.13Å
736	I	68.5	Low	77.4	Confident	81 Å²	81	72.7 Å²	72.7	42%	0.415	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	126	178.8	-70.5	175.7	0	0	0	109.5	Q718 Q720	Q718-I736 HydrophobicContact CB-CD1 4.04Å; Q718-I736 HydrophobicContact CG-CD1 3.98Å; Q718-I736 WeakPolarHBondContact O-CB 3.08Å; Q718-I736 WeakPolarHBondContact O-CG1 3.04Å; Q718-I736 PolarHBondContact O-N 3.16Å; Q720-I736 HydrophobicContact CB-CG1 4.22Å; Q720-I736 HydrophobicContact CG-CG1 4.07Å
737	G	62.6	Low	77.5	Confident	79 Å²	79	69.5 Å²	69.5	81%	0.814	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.5	2.3	-177.4	0	0	0	0	0	116.1	P735	P735-G737 PolarHBondContact O-N 3.42Å
738	K	64.1	Low	77.4	Confident	145 Å²	145	64.2 Å²	64.2	63%	0.63	34%	0.34	S	S	*	.			trans	-120.6	137.8	168.6	-66.3	-168.7	175.8	-173.3	0	112.3	P735	P735-K738 HydrophobicContact CG-CB 4.22Å; P735-K738 HydrophobicContact CG-CD 4.23Å; P735-K738 HydrophobicContact CG-CG 4.38Å; P735-K738 PolarHBondContact O-N 3.3Å; P735-K738 VanDerWaalsContact O-N 3.13Å
739	E	59.5	Low	77.1	Confident	197 Å²	197	67.5 Å²	67.5	92%	0.921	35%	0.354	S	S	*	.			trans	-82.3	-19.3	-171.4	-60.9	-169.4	140	0	0	115	P741	E739-P741 VanDerWaalsContact O-CD 3.28Å; E739-P741 WeakPolarHBondContact O-CD 3.08Å
740	Q	68	Low	76.6	Confident	169 Å²	169	69.7 Å²	69.7	79%	0.79	37%	0.365	S	S	*	.			trans	-88.3	115.9	-178.6	-71.2	-173.4	-10.3	0	0	111.8
741	P	77.2	Confident	76	Confident	61 Å²	61	69.6 Å²	69.6	40%	0.396	37%	0.365	S	S	.	.			trans	-77.9	143.1	172.8	31.5	-33.6	0	0	0	111.9	V722 F732 E739	V722-P741 HydrophobicContact CB-CB 4Å; V722-P741 HydrophobicContact CG1-CB 4.08Å; V722-P741 HydrophobicContact CG1-CG 4.41Å; V722-P741 HydrophobicContact CG2-CB 4.04Å; F732-P741 HydrophobicContact CB-CB 4.21Å; F732-P741 HydrophobicContact CD1-CB 4.32Å; E739-P741 VanDerWaalsContact O-CD 3.28Å; E739-P741 WeakPolarHBondContact O-CD 3.08Å
742	I	79.9	Confident	75.9	Confident	87 Å²	87	69.5 Å²	69.5	45%	0.446	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	131.8	174.9	-53.4	177.5	0	0	0	108.7	W719 F732 C733 L744	W719-I742 HydrophobicContact CH2-CD1 4.19Å; W719-I742 HydrophobicContact CZ3-CD1 4.38Å; F732-I742 WeakPolarHBondContact CA-O 3.03Å; C733-I742 PolarHBondContact N-O 3.45Å; C733-I742 PolarHBondContact O-N 2.92Å; I742-L744 HydrophobicContact CB-CD2 4.38Å; I742-L744 HydrophobicContact CG2-CD2 3.88Å; I742-L744 PolarHBondContact O-N 2.97Å
743	L	80.8	Confident	75.7	Confident	72 Å²	72	70.7 Å²	70.7	38%	0.377	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	114.3	172.4	179	61	0	0	0	109.9	A730 F732 S745	A730-L743 HydrophobicContact CB-CD1 3.84Å; F732-L743 HydrophobicContact CD1-CB 4Å; F732-L743 HydrophobicContact CD1-CD1 4.3Å; F732-L743 HydrophobicContact CD2-CD1 4.37Å; F732-L743 HydrophobicContact CE1-CB 3.79Å; F732-L743 HydrophobicContact CE1-CD1 4.09Å; F732-L743 HydrophobicContact CE1-CG 4.41Å; F732-L743 HydrophobicContact CE2-CD1 4.16Å; F732-L743 HydrophobicContact CG-CD1 4.46Å; F732-L743 HydrophobicContact CZ-CB 4.47Å; F732-L743 HydrophobicContact CZ-CD1 4.03Å; L743-S745 VanDerWaalsContact CD1-O 3.28Å; L743-S745 WeakPolarHBondContact CD1-O 3.1Å
744	L	77.8	Confident	75.5	Confident	56 Å²	56	70.9 Å²	70.9	29%	0.293	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-22.1	178.2	-57.6	-168.4	0	0	0	113.6	Y706 L731 C733 I742	Y706-L744 HydrophobicContact CD2-CB 4.39Å; Y706-L744 HydrophobicContact CD2-CD1 3.74Å; Y706-L744 HydrophobicContact CE2-CB 4.5Å; Y706-L744 HydrophobicContact CG-CD1 3.8Å; L731-L744 HydrophobicContact CD2-CB 4.29Å; L731-L744 PolarHBondContact O-N 3.01Å; C733-L744 HydrophobicContact CB-CD1 3.83Å; C733-L744 HydrophobicContact CB-CG 4.19Å; C733-L744 VanDerWaalsContact SG-CD1 3.55Å; I742-L744 HydrophobicContact CB-CD2 4.38Å; I742-L744 HydrophobicContact CG2-CD2 3.88Å; I742-L744 PolarHBondContact O-N 2.97Å
745	S	78.8	Confident	74.7	Confident	41 Å²	41	71.2 Å²	71.2	29%	0.287	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	139.2	172	176.3	0	0	0	0	110.9	L731 L743 K747	L731-S745 PolarHBondContact N-O 3.15Å; L731-S745 PolarHBondContact O-N 3.04Å; L743-S745 VanDerWaalsContact CD1-O 3.28Å; L743-S745 WeakPolarHBondContact CD1-O 3.1Å; S745-K747 PolarHBondContact O-N 2.97Å; S745-K747 PolarHBondContact OG-N 3.37Å; S745-K747 VanDerWaalsContact OG-N 3.15Å; S745-K747 PolarHBondContact OG-O 3.44Å
746	E	77.3	Confident	73.8	Confident	157 Å²	157	78 Å²	78	73%	0.734	41%	0.406	S	S	*	.	S	Bend	trans	-65.6	-17.6	172.7	-61	-158.9	134.6	0	0	113.5
747	K	79.5	Confident	73.1	Confident	109 Å²	109	82.3 Å²	82.3	47%	0.474	42%	0.424	S	S	.	.	S	Bend	trans	-136.4	125.5	177.6	-62	-171.2	179.9	-167.5	0	111.5	C729 S745 N764	C729-K747 CarbonylContact O-C 3.51Å; C729-K747 WeakPolarHBondContact O-CA 3.33Å; S745-K747 PolarHBondContact O-N 2.97Å; S745-K747 PolarHBondContact OG-N 3.37Å; S745-K747 VanDerWaalsContact OG-N 3.15Å; S745-K747 PolarHBondContact OG-O 3.44Å; K747-N764 PolarHBondContact NZ-O 2.64Å; K747-N764 VanDerWaalsContact NZ-O 3.09Å; K747-N764 PolarHBondContact NZ-OD1 2.89Å
748	V	79.1	Confident	72.8	Confident	5 Å²	5	80.8 Å²	80.8	3%	0.03	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-71	162.7	162.2	-58.8	0	0	0	0	110.6	C729 L731 T752 C762	C729-V748 HydrophobicContact CB-CG2 4.29Å; C729-V748 WeakPolarHBondContact O-CG2 3.47Å; C729-V748 PolarHBondContact O-N 2.03Å; L731-V748 HydrophobicContact CB-CG1 3.9Å; L731-V748 HydrophobicContact CD1-CG1 4.07Å; V748-T752 HydrophobicContact CB-CG2 4.03Å; V748-T752 HydrophobicContact CG1-CG2 4.4Å; V748-T752 HydrophobicContact CG2-CG2 3.92Å; V748-C762 HydrophobicContact CG2-CB 3.65Å; V748-C762 WeakPolarHBondContact CG2-SG 3.14Å
749	M	75.2	Confident	72.7	Confident	103 Å²	103	78.3 Å²	78.3	51%	0.507	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-61.7	138.9	177.2	-64.1	178.8	-175.7	0	0	112.2	F698 W701 Q702 G751 T752	F698-M749 HydrophobicContact CE1-CB 4.3Å; F698-M749 HydrophobicContact CZ-CB 4.34Å; F698-M749 HydrophobicContact CZ-SD 4.17Å; W701-M749 HydrophobicContact CZ3-CE 4.49Å; Q702-M749 HydrophobicContact CG-CE 4.4Å; Q702-M749 HydrophobicContact CG-SD 4.3Å; M749-G751 PolarHBondContact O-N 2.86Å; M749-T752 VanDerWaalsContact O-CB 3.24Å; M749-T752 WeakPolarHBondContact O-CB 3.2Å; M749-T752 PolarHBondContact O-N 3.07Å; M749-T752 PolarHBondContact O-OG1 3.28Å
750	D	77.7	Confident	73.7	Confident	51 Å²	51	70.2 Å²	70.2	27%	0.273	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	122.7	177.2	-95.7	21.2	0	0	0	110.3	S652 I659 Y683 C762 A763 N764	S652-D750 WeakPolarHBondContact CB-O 2.96Å; S652-D750 PolarHBondContact OG-O 2.99Å; I659-D750 HydrophobicContact CD1-CB 3.78Å; I659-D750 HydrophobicContact CG1-CB 4.36Å; Y683-D750 WeakPolarHBondContact CE1-OD2 3.49Å; D750-C762 WeakPolarHBondContact CA-O 3.21Å; D750-A763 WeakPolarHBondContact OD1-CA 3.46Å; D750-N764 VanDerWaalsContact CG-N 3.3Å; D750-N764 PolarHBondContact OD1-N 3.06Å; D750-N764 PolarHBondContact OD2-N 2.97Å
751	G	74.8	Confident	74.4	Confident	2 Å²	2	62.7 Å²	62.7	2%	0.021	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	102.8	-3.1	-168.7	0	0	0	0	0	115	M749 C762	M749-G751 PolarHBondContact O-N 2.86Å; G751-C762 PolarHBondContact N-O 2.92Å
752	T	83.1	Confident	74.8	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.006	31%	0.311	C	S	.	.			trans	-73.1	140.2	170.2	-54	0	0	0	0	111	F698 R699 Q702 V748 M749 C762	F698-T752 HydrophobicContact CD1-CG2 4.39Å; F698-T752 WeakPolarHBondContact CE1-OG1 3.37Å; R699-T752 HydrophobicContact CB-CG2 3.96Å; R699-T752 HydrophobicContact CG-CG2 3.97Å; Q702-T752 PolarHBondContact NE2-OG1 2.98Å; V748-T752 HydrophobicContact CB-CG2 4.03Å; V748-T752 HydrophobicContact CG1-CG2 4.4Å; V748-T752 HydrophobicContact CG2-CG2 3.92Å; M749-T752 VanDerWaalsContact O-CB 3.24Å; M749-T752 WeakPolarHBondContact O-CB 3.2Å; M749-T752 PolarHBondContact O-N 3.07Å; M749-T752 PolarHBondContact O-OG1 3.28Å; T752-C762 PolarHBondContact O-N 3.17Å
753	S	80.8	Confident	74.7	Confident	51 Å²	51	55.6 Å²	55.6	36%	0.357	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-72.7	141.8	175.8	-168.2	0	0	0	0	112.1	R699 D760	R699-S753 PolarHBondContact NH1-O 2.83Å; S753-D760 PolarHBondContact OG-O 2.98Å
754	C	82.3	Confident	74.5	Confident	5 Å²	5	57 Å²	57	3%	0.034	30%	0.297	C	S	.	.			trans	-134.3	-10.4	-179	53.9	0	0	0	0	114.8	P728 D760 I761 C762 C767	P728-C754 HydrophobicContact CB-CB 4.21Å; P728-C754 WeakPolarHBondContact O-CB 3.03Å; C754-D760 PolarHBondContact N-O 3.25Å; C754-D760 PolarHBondContact SG-O 3.31Å; C754-D760 VanDerWaalsContact SG-O 3.39Å; C754-I761 PolarHBondContact SG-N 3.28Å; C754-C762 VanDerWaalsContact CB-SG 3.5Å; C754-C767 HydrophobicContact CB-CB 3.85Å; C754-C767 WeakPolarHBondContact CB-SG 3.47Å; C754-C767 WeakPolarHBondContact SG-CA 3.42Å; C754-C767 WeakPolarHBondContact SG-CB 3.41Å; C754-C767 CovalentContact SG-SG 2.03Å; C754-C767 PolarHBondContact SG-SG 3.14Å
755	G	65.5	Low	74.4	Confident	11 Å²	11	55.3 Å²	55.3	11%	0.113	29%	0.294	C	S	.	.	S	Bend	trans	-93.5	140.3	176	0	0	0	0	0	112.6	Q757 G758 D760	G755-Q757 PolarHBondContact O-N 3.01Å; G755-G758 PolarHBondContact O-N 3.42Å; G755-D760 PolarHBondContact N-O 3.19Å
756	Y	56.9	Low	74.5	Confident	154 Å²	154	62.5 Å²	62.5	60%	0.604	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-13.6	176	-85	-96.2	0	0	0	115.7	E725	E725-Y756 WeakPolarHBondContact OE1-CE2 3.4Å; E725-Y756 WeakPolarHBondContact OE2-CE2 3.31Å
757	Q	55.3	Low	74.9	Confident	172 Å²	172	57.4 Å²	57.4	80%	0.804	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	14.3	175.6	-62.8	-172.7	-6.6	0	0	113.2	G755 L759	G755-Q757 PolarHBondContact O-N 3.01Å; Q757-L759 PolarHBondContact O-N 3.31Å; Q757-L759 VanDerWaalsContact O-N 3.15Å
758	G	54.9	Low	75.1	Confident	47 Å²	47	54.4 Å²	54.4	49%	0.485	28%	0.283	S	S	.	.	S	Bend	trans	74.3	-3.2	173.2	0	0	0	0	0	116.6	G755	G755-G758 PolarHBondContact O-N 3.42Å
759	L	62.3	Low	75.1	Confident	93 Å²	93	60.8 Å²	60.8	49%	0.487	31%	0.311	S	S	.	.			trans	-93.6	-18.4	-173.5	-63.6	173.1	0	0	0	115	Q757	Q757-L759 PolarHBondContact O-N 3.31Å; Q757-L759 VanDerWaalsContact O-N 3.15Å
760	D	80.4	Confident	75.3	Confident	28 Å²	28	58 Å²	58	15%	0.15	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	138.4	179.2	-50.6	-51.2	0	0	0	110.1	S753 C754 G755 K769	S753-D760 PolarHBondContact OG-O 2.98Å; C754-D760 PolarHBondContact N-O 3.25Å; C754-D760 PolarHBondContact SG-O 3.31Å; C754-D760 VanDerWaalsContact SG-O 3.39Å; G755-D760 PolarHBondContact N-O 3.19Å; D760-K769 WeakPolarHBondContact OD1-CD 3.21Å; D760-K769 WeakPolarHBondContact OD1-CG 3.48Å; D760-K769 IonicContact OD1-NZ 2.92Å; D760-K769 PolarHBondContact OD1-NZ 2.81Å; D760-K769 IonicContact OD2-NZ 3.69Å; D760-K769 PolarHBondContact OD2-NZ 2.93Å
761	I	82.9	Confident	75.1	Confident	10 Å²	10	55.9 Å²	55.9	5%	0.051	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	141	-166.3	-62.5	-179.2	0	0	0	111.1	I659 I685 C754 Q768 V770 L776	I659-I761 HydrophobicContact CG2-CG2 3.85Å; I685-I761 HydrophobicContact CD1-CD1 3.63Å; I685-I761 HydrophobicContact CG1-CD1 3.9Å; C754-I761 PolarHBondContact SG-N 3.28Å; I761-Q768 PolarHBondContact N-O 3.22Å; I761-Q768 PolarHBondContact O-N 3.34Å; I761-V770 HydrophobicContact CD1-CG2 4.22Å; I761-V770 HydrophobicContact CG1-CG2 4.4Å; I761-L776 HydrophobicContact CB-CD2 4.21Å; I761-L776 HydrophobicContact CG2-CD2 4.23Å
762	C	85.1	Confident	74.9	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	127.3	174.5	-63.8	0	0	0	0	112	C729 V748 D750 G751 T752 C754 R766	C729-C762 WeakPolarHBondContact CA-SG 3.38Å; C729-C762 HydrophobicContact CB-CB 3.95Å; C729-C762 WeakPolarHBondContact CB-SG 3.29Å; C729-C762 WeakPolarHBondContact SG-CA 3.38Å; C729-C762 WeakPolarHBondContact SG-CB 3.42Å; C729-C762 CovalentContact SG-SG 2.04Å; C729-C762 PolarHBondContact SG-SG 3.48Å; V748-C762 HydrophobicContact CG2-CB 3.65Å; V748-C762 WeakPolarHBondContact CG2-SG 3.14Å; D750-C762 WeakPolarHBondContact CA-O 3.21Å; G751-C762 PolarHBondContact N-O 2.92Å; T752-C762 PolarHBondContact O-N 3.17Å; C754-C762 VanDerWaalsContact CB-SG 3.5Å; C762-R766 WeakPolarHBondContact CA-O 3.38Å
763	A	79.1	Confident	74.5	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	126.8	170.1	0	0	0	0	0	110.3	I659 Y683 D750 G765 R766 Q768 L776	I659-A763 HydrophobicContact CD1-CB 3.76Å; Y683-A763 HydrophobicContact CD1-CB 3.98Å; Y683-A763 HydrophobicContact CD2-CB 4.43Å; Y683-A763 HydrophobicContact CE1-CB 4.1Å; Y683-A763 HydrophobicContact CG-CB 4.13Å; D750-A763 WeakPolarHBondContact OD1-CA 3.46Å; A763-G765 PolarHBondContact O-N 3.21Å; A763-R766 PolarHBondContact N-O 3.28Å; A763-R766 PolarHBondContact O-N 3.14Å; A763-R766 VanDerWaalsContact O-N 3.1Å; A763-Q768 PolarHBondContact O-NE2 3.1Å; A763-Q768 VanDerWaalsContact O-NE2 3.11Å; A763-L776 HydrophobicContact CB-CD2 3.76Å
764	N	75.7	Confident	74	Confident	100 Å²	100	59.5 Å²	59.5	54%	0.535	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	31.2	-168.8	-162.7	0	0	0	0	114.1	K747 D750 R766	K747-N764 PolarHBondContact NZ-O 2.64Å; K747-N764 VanDerWaalsContact NZ-O 3.09Å; K747-N764 PolarHBondContact NZ-OD1 2.89Å; D750-N764 VanDerWaalsContact CG-N 3.3Å; D750-N764 PolarHBondContact OD1-N 3.06Å; D750-N764 PolarHBondContact OD2-N 2.97Å; N764-R766 VanDerWaalsContact C-N 3.3Å; N764-R766 PolarHBondContact O-N 3.28Å
765	G	76.6	Confident	73.8	Confident	21 Å²	21	60.7 Å²	60.7	22%	0.216	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	13.9	-175.9	0	0	0	0	0	115.4	C729 A763	C729-G765 WeakPolarHBondContact CB-O 3.39Å; A763-G765 PolarHBondContact O-N 3.21Å
766	R	80.8	Confident	74.3	Confident	193 Å²	193	60.7 Å²	60.7	73%	0.728	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111	140.1	168.1	-67.2	-175.2	177.6	-176.7	-0.8	109.8	C762 A763 N764 Q768	C762-R766 WeakPolarHBondContact CA-O 3.38Å; A763-R766 PolarHBondContact N-O 3.28Å; A763-R766 PolarHBondContact O-N 3.14Å; A763-R766 VanDerWaalsContact O-N 3.1Å; N764-R766 VanDerWaalsContact C-N 3.3Å; N764-R766 PolarHBondContact O-N 3.28Å; R766-Q768 HydrophobicContact CB-CG 4.43Å; R766-Q768 PolarHBondContact O-N 2.83Å
767	C	85	Confident	74.9	Confident	50 Å²	50	55.9 Å²	55.9	34%	0.338	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	115.9	173.8	-169.4	0	0	0	0	108.7	P728 C729 C754	P728-C767 HydrophobicContact CG-CB 4.06Å; C729-C767 WeakPolarHBondContact SG-CA 3.36Å; C729-C767 PolarHBondContact SG-N 2.95Å; C754-C767 HydrophobicContact CB-CB 3.85Å; C754-C767 WeakPolarHBondContact CB-SG 3.47Å; C754-C767 WeakPolarHBondContact SG-CA 3.42Å; C754-C767 WeakPolarHBondContact SG-CB 3.41Å; C754-C767 CovalentContact SG-SG 2.03Å; C754-C767 PolarHBondContact SG-SG 3.14Å
768	Q	83.4	Confident	75.8	Confident	45 Å²	45	49.7 Å²	49.7	21%	0.21	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.4	-175.5	-60.5	-171.5	38.9	0	0	110.2	I761 A763 R766 L776	I761-Q768 PolarHBondContact N-O 3.22Å; I761-Q768 PolarHBondContact O-N 3.34Å; A763-Q768 PolarHBondContact O-NE2 3.1Å; A763-Q768 VanDerWaalsContact O-NE2 3.11Å; R766-Q768 HydrophobicContact CB-CG 4.43Å; R766-Q768 PolarHBondContact O-N 2.83Å; Q768-L776 HydrophobicContact CB-CB 4.17Å; Q768-L776 HydrophobicContact CB-CD2 4.31Å
769	K	79.2	Confident	76.5	Confident	139 Å²	139	55.2 Å²	55.2	60%	0.604	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	143.8	171.9	-55.2	-148.6	165.2	-89	0	109.5	D760 G777	D760-K769 WeakPolarHBondContact OD1-CD 3.21Å; D760-K769 WeakPolarHBondContact OD1-CG 3.48Å; D760-K769 IonicContact OD1-NZ 2.92Å; D760-K769 PolarHBondContact OD1-NZ 2.81Å; D760-K769 IonicContact OD2-NZ 3.69Å; D760-K769 PolarHBondContact OD2-NZ 2.93Å; K769-G777 PolarHBondContact O-N 2.85Å
770	V	78.8	Confident	76.9	Confident	44 Å²	44	51.1 Å²	51.1	27%	0.267	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-92.7	124.3	-179.7	-179.7	0	0	0	0	108.9	I685 I761 L776	I685-V770 HydrophobicContact CD1-CB 4.33Å; I685-V770 HydrophobicContact CD1-CG1 3.78Å; I685-V770 HydrophobicContact CD1-CG2 3.81Å; I685-V770 HydrophobicContact CG1-CG1 3.9Å; I685-V770 HydrophobicContact CG1-CG2 4Å; I761-V770 HydrophobicContact CD1-CG2 4.22Å; I761-V770 HydrophobicContact CG1-CG2 4.4Å; V770-L776 HydrophobicContact CG2-CD1 4.08Å; V770-L776 HydrophobicContact CG2-CG 4.03Å
771	G	73.9	Confident	76.5	Confident	8 Å²	8	59.3 Å²	59.3	8%	0.082	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-72.6	159.6	172.3	0	0	0	0	0	112	D773 G774 L775 A780	G771-D773 VanDerWaalsContact C-OD1 3.3Å; G771-D773 WeakPolarHBondContact CA-OD1 3.31Å; G771-D773 PolarHBondContact O-N 3.3Å; G771-D773 VanDerWaalsContact O-N 3.09Å; G771-G774 PolarHBondContact O-N 2.98Å; G771-L775 PolarHBondContact N-O 2.87Å; G771-A780 WeakPolarHBondContact CA-O 3.48Å
772	C	72.1	Confident	76.1	Confident	41 Å²	41	63.7 Å²	63.7	28%	0.277	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-13	177.3	58	0	0	0	0	114.4	A780 R781 E782 C788	C772-A780 PolarHBondContact N-O 2.98Å; C772-A780 VanDerWaalsContact SG-CB 3.6Å; C772-A780 PolarHBondContact SG-O 3.17Å; C772-R781 VanDerWaalsContact SG-CA 3.52Å; C772-R781 PolarHBondContact SG-N 2.83Å; C772-R781 PolarHBondContact SG-O 2.9Å; C772-E782 HydrophobicContact CB-CB 4.47Å; C772-E782 HydrophobicContact CB-CG 3.65Å; C772-C788 HydrophobicContact CB-CB 3.47Å; C772-C788 VanDerWaalsContact CB-CB 3.47Å; C772-C788 WeakPolarHBondContact CB-SG 3.15Å; C772-C788 WeakPolarHBondContact O-CB 3.42Å; C772-C788 PolarHBondContact O-SG 2.92Å; C772-C788 WeakPolarHBondContact SG-CA 3.49Å; C772-C788 WeakPolarHBondContact SG-CB 3.34Å; C772-C788 CovalentContact SG-SG 2.03Å; C772-C788 PolarHBondContact SG-SG 2.82Å
773	D	73.4	Confident	75.7	Confident	64 Å²	64	64.7 Å²	64.7	34%	0.342	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	4	176.3	50.1	7	0	0	0	111.5	G771 L775 S778 A780 C788	G771-D773 VanDerWaalsContact C-OD1 3.3Å; G771-D773 WeakPolarHBondContact CA-OD1 3.31Å; G771-D773 PolarHBondContact O-N 3.3Å; G771-D773 VanDerWaalsContact O-N 3.09Å; D773-L775 HydrophobicContact CB-CD1 4.25Å; D773-L775 HydrophobicContact CB-CG 4.32Å; D773-L775 PolarHBondContact O-N 2.77Å; D773-L775 WeakPolarHBondContact OD1-CB 3.45Å; D773-L775 PolarHBondContact OD1-N 3.5Å; D773-S778 WeakPolarHBondContact OD1-CB 3.42Å; D773-S778 VanDerWaalsContact OD2-CB 3.28Å; D773-S778 WeakPolarHBondContact OD2-CB 3.05Å; D773-S778 PolarHBondContact OD2-OG 2.9Å; D773-A780 HydrophobicContact CB-CB 4.25Å; D773-A780 WeakPolarHBondContact OD2-CB 3.49Å; D773-C788 PolarHBondContact N-SG 2.86Å
774	G	71.5	Confident	75.5	Confident	24 Å²	24	67.5 Å²	67.5	25%	0.247	35%	0.354	C	S	.	.	S	Bend	trans	74.9	2.9	-172.6	0	0	0	0	0	113.3	R684 I685 G771	R684-G774 CarbonylContact C-O 3.46Å; R684-G774 WeakPolarHBondContact CA-O 3.48Å; R684-G774 WeakPolarHBondContact CB-O 3.29Å; I685-G774 PolarHBondContact N-O 3.36Å; G771-G774 PolarHBondContact O-N 2.98Å
775	L	77.3	Confident	75.5	Confident	30 Å²	30	63.1 Å²	63.1	16%	0.157	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-94.4	128.7	-173.2	-62	170.8	0	0	0	111.3	W648 Q682 Y683 R684 G771 D773 S778	W648-L775 HydrophobicContact CH2-CD2 3.52Å; W648-L775 HydrophobicContact CZ2-CD2 3.67Å; Q682-L775 HydrophobicContact CG-CD2 4.23Å; Y683-L775 WeakPolarHBondContact O-CA 3.33Å; R684-L775 HydrophobicContact CB-CD2 3.99Å; G771-L775 PolarHBondContact N-O 2.87Å; D773-L775 HydrophobicContact CB-CD1 4.25Å; D773-L775 HydrophobicContact CB-CG 4.32Å; D773-L775 PolarHBondContact O-N 2.77Å; D773-L775 WeakPolarHBondContact OD1-CB 3.45Å; D773-L775 PolarHBondContact OD1-N 3.5Å; L775-S778 WeakPolarHBondContact O-CB 3.41Å; L775-S778 PolarHBondContact O-N 2.8Å
776	L	76.6	Confident	75.2	Confident	12 Å²	12	62.7 Å²	62.7	6%	0.063	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-73.4	136.3	176.8	-80.5	71.8	0	0	0	109.9	I659 Y683 I685 I761 A763 Q768 V770 S778	I659-L776 HydrophobicContact CD1-CD2 4.38Å; I659-L776 HydrophobicContact CG2-CD1 3.85Å; I659-L776 HydrophobicContact CG2-CD2 3.84Å; Y683-L776 PolarHBondContact O-N 2.88Å; I685-L776 HydrophobicContact CG1-CD1 4.11Å; I761-L776 HydrophobicContact CB-CD2 4.21Å; I761-L776 HydrophobicContact CG2-CD2 4.23Å; A763-L776 HydrophobicContact CB-CD2 3.76Å; Q768-L776 HydrophobicContact CB-CB 4.17Å; Q768-L776 HydrophobicContact CB-CD2 4.31Å; V770-L776 HydrophobicContact CG2-CD1 4.08Å; V770-L776 HydrophobicContact CG2-CG 4.03Å; L776-S778 PolarHBondContact O-N 2.79Å
777	G	68.6	Low	75.1	Confident	53 Å²	53	56.4 Å²	56.4	55%	0.546	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	5.3	-176.4	0	0	0	0	0	114.6	K769	K769-G777 PolarHBondContact O-N 2.85Å
778	S	73.9	Confident	74.8	Confident	41 Å²	41	56.1 Å²	56.1	29%	0.287	31%	0.307	S	S	.	.			trans	-70.4	144.3	174	-174.3	0	0	0	0	111.5	D773 L775 L776 A780	D773-S778 WeakPolarHBondContact OD1-CB 3.42Å; D773-S778 VanDerWaalsContact OD2-CB 3.28Å; D773-S778 WeakPolarHBondContact OD2-CB 3.05Å; D773-S778 PolarHBondContact OD2-OG 2.9Å; L775-S778 WeakPolarHBondContact O-CB 3.41Å; L775-S778 PolarHBondContact O-N 2.8Å; L776-S778 PolarHBondContact O-N 2.79Å; S778-A780 PolarHBondContact O-N 3.48Å; S778-A780 VanDerWaalsContact OG-CB 3.3Å; S778-A780 WeakPolarHBondContact OG-CB 3.22Å; S778-A780 PolarHBondContact OG-N 2.9Å; S778-A780 VanDerWaalsContact OG-N 3.16Å
779	L	70.4	Confident	74.4	Confident	164 Å²	164	59.3 Å²	59.3	86%	0.859	33%	0.326	S	S	*	.			trans	-77.2	-5.2	170.7	-64.1	178.1	0	0	0	112.4	R781	L779-R781 PolarHBondContact O-N 2.73Å
780	A	69.5	Low	73.9	Confident	6 Å²	6	53.9 Å²	53.9	5%	0.05	31%	0.309	C	S	.	.			trans	-65.9	129	-175.4	0	0	0	0	0	112.4	G771 C772 D773 S778 N789	G771-A780 WeakPolarHBondContact CA-O 3.48Å; C772-A780 PolarHBondContact N-O 2.98Å; C772-A780 VanDerWaalsContact SG-CB 3.6Å; C772-A780 PolarHBondContact SG-O 3.17Å; D773-A780 HydrophobicContact CB-CB 4.25Å; D773-A780 WeakPolarHBondContact OD2-CB 3.49Å; S778-A780 PolarHBondContact O-N 3.48Å; S778-A780 VanDerWaalsContact OG-CB 3.3Å; S778-A780 WeakPolarHBondContact OG-CB 3.22Å; S778-A780 PolarHBondContact OG-N 2.9Å; S778-A780 VanDerWaalsContact OG-N 3.16Å; A780-N789 WeakPolarHBondContact CA-OD1 3.41Å; A780-N789 VanDerWaalsContact CB-ND2 3.33Å; A780-N789 WeakPolarHBondContact CB-ND2 3.24Å; A780-N789 WeakPolarHBondContact CB-OD1 3.46Å
781	R	73.3	Confident	73.6	Confident	200 Å²	200	57.5 Å²	57.5	76%	0.755	33%	0.327	S	S	*	.			trans	-124.5	147.2	179.9	-67	-177.8	-179	-173.5	0	111.4	C772 L779 D783 N789	C772-R781 VanDerWaalsContact SG-CA 3.52Å; C772-R781 PolarHBondContact SG-N 2.83Å; C772-R781 PolarHBondContact SG-O 2.9Å; L779-R781 PolarHBondContact O-N 2.73Å; R781-D783 PolarHBondContact O-N 2.86Å; R781-N789 PolarHBondContact N-OD1 2.8Å; R781-N789 PolarHBondContact O-N 2.89Å
782	E	74	Confident	73.5	Confident	103 Å²	103	58 Å²	58	48%	0.481	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-60.8	135.7	169.2	-68.6	-170.6	132.1	0	0	109.8	C772	C772-E782 HydrophobicContact CB-CB 4.47Å; C772-E782 HydrophobicContact CB-CG 3.65Å
783	D	77.4	Confident	73.6	Confident	21 Å²	21	63.8 Å²	63.8	11%	0.112	35%	0.353	C	S	.	.			trans	-72.1	-178.3	163.5	75.3	-2.4	0	0	0	111	R781 C785 G786 V787 G790 G792	R781-D783 PolarHBondContact O-N 2.86Å; D783-C785 PolarHBondContact O-N 3.1Å; D783-C785 VanDerWaalsContact OD1-CA 3.28Å; D783-C785 WeakPolarHBondContact OD1-CA 3.26Å; D783-C785 WeakPolarHBondContact OD1-CB 3.41Å; D783-C785 PolarHBondContact OD1-N 3.47Å; D783-G786 PolarHBondContact O-N 3.36Å; D783-G786 PolarHBondContact OD1-N 2.8Å; D783-V787 PolarHBondContact N-O 2.81Å; D783-V787 PolarHBondContact OD1-N 3.46Å; D783-G790 WeakPolarHBondContact CB-O 3.34Å; D783-G790 VanDerWaalsContact OD2-C 3.26Å; D783-G790 VanDerWaalsContact OD2-CA 3.26Å; D783-G790 WeakPolarHBondContact OD2-CA 3.36Å; D783-G792 WeakPolarHBondContact OD2-CA 3.48Å; D783-G792 PolarHBondContact OD2-N 3.02Å
784	H	73.3	Confident	73.6	Confident	59 Å²	59	62.6 Å²	62.6	27%	0.273	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-1.8	179	65.2	-104.5	0	0	0	113.9	G792 C795 I797 R822 T904	H784-G792 WeakPolarHBondContact CE1-CA 3.4Å; H784-G792 PolarHBondContact CE1-O 2.87Å; H784-G792 VanDerWaalsContact CE1-O 3.24Å; H784-G792 PolarHBondContact NE2-O 3.44Å; H784-C795 PolarHBondContact CD2-SG 3.46Å; H784-I797 HydrophobicContact CB-CD1 4.48Å; H784-I797 VanDerWaalsContact CD2-CG1 3.45Å; H784-I797 WeakPolarHBondContact CD2-CG1 3.41Å; H784-R822 VanDerWaalsContact O-CD 3.25Å; H784-R822 WeakPolarHBondContact O-CD 3.22Å; H784-T904 WeakPolarHBondContact O-CB 3.43Å; H784-T904 WeakPolarHBondContact O-CG2 3.5Å; H784-T904 PolarHBondContact O-OG1 2.94Å
785	C	75.8	Confident	74	Confident	7 Å²	7	62 Å²	62	5%	0.047	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-5.2	174.4	-51.9	0	0	0	0	112.9	D783 V787 S794 C795 R821	D783-C785 PolarHBondContact O-N 3.1Å; D783-C785 VanDerWaalsContact OD1-CA 3.28Å; D783-C785 WeakPolarHBondContact OD1-CA 3.26Å; D783-C785 WeakPolarHBondContact OD1-CB 3.41Å; D783-C785 PolarHBondContact OD1-N 3.47Å; C785-V787 VanDerWaalsContact C-N 3.27Å; C785-V787 HydrophobicContact CB-CG2 4.21Å; C785-S794 WeakPolarHBondContact CB-OG 3.17Å; C785-S794 PolarHBondContact SG-OG 3.46Å; C785-S794 VanDerWaalsContact SG-OG 3.37Å; C785-C795 WeakPolarHBondContact CA-SG 3.4Å; C785-C795 HydrophobicContact CB-CB 3.45Å; C785-C795 VanDerWaalsContact CB-CB 3.45Å; C785-C795 WeakPolarHBondContact CB-SG 3.42Å; C785-C795 WeakPolarHBondContact SG-CB 3.41Å; C785-C795 PolarHBondContact SG-N 3.02Å; C785-C795 CovalentContact SG-SG 2.02Å; C785-C795 PolarHBondContact SG-SG 2.92Å; C785-R821 VanDerWaalsContact O-CD 3.31Å; C785-R821 WeakPolarHBondContact O-CD 3.46Å; C785-R821 PolarHBondContact O-NH1 2.83Å
786	G	71	Confident	74.1	Confident	12 Å²	12	66.6 Å²	66.6	12%	0.124	36%	0.36	C	S	.	.	S	Bend	trans	70	26.7	-169	0	0	0	0	0	112.2	D783 R821	D783-G786 PolarHBondContact O-N 3.36Å; D783-G786 PolarHBondContact OD1-N 2.8Å; G786-R821 PolarHBondContact O-NH1 2.81Å
787	V	79	Confident	74.4	Confident	62 Å²	62	69.5 Å²	69.5	38%	0.376	38%	0.375	S	S	.	.			trans	-99.6	127.8	171.1	177.5	0	0	0	0	108	D783 C785 N789 G790 S794	D783-V787 PolarHBondContact N-O 2.81Å; D783-V787 PolarHBondContact OD1-N 3.46Å; C785-V787 VanDerWaalsContact C-N 3.27Å; C785-V787 HydrophobicContact CB-CG2 4.21Å; V787-N789 PolarHBondContact O-N 2.72Å; V787-G790 PolarHBondContact O-N 2.98Å; V787-G790 VanDerWaalsContact O-N 3.07Å; V787-S794 VanDerWaalsContact CG2-OG 3.3Å; V787-S794 WeakPolarHBondContact CG2-OG 3.48Å
788	C	78.7	Confident	75.1	Confident	43 Å²	43	69.5 Å²	69.5	29%	0.291	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-68	127.4	-175.5	-176.1	0	0	0	0	112.3	C772 D773 G790	C772-C788 HydrophobicContact CB-CB 3.47Å; C772-C788 VanDerWaalsContact CB-CB 3.47Å; C772-C788 WeakPolarHBondContact CB-SG 3.15Å; C772-C788 WeakPolarHBondContact O-CB 3.42Å; C772-C788 PolarHBondContact O-SG 2.92Å; C772-C788 WeakPolarHBondContact SG-CA 3.49Å; C772-C788 WeakPolarHBondContact SG-CB 3.34Å; C772-C788 CovalentContact SG-SG 2.03Å; C772-C788 PolarHBondContact SG-SG 2.82Å; D773-C788 PolarHBondContact N-SG 2.86Å; C788-G790 PolarHBondContact O-N 2.92Å
789	N	75.3	Confident	75.7	Confident	112 Å²	112	72.8 Å²	72.8	60%	0.599	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	28.6	-170.3	-69	-20.3	0	0	0	112.8	A780 R781 V787	A780-N789 WeakPolarHBondContact CA-OD1 3.41Å; A780-N789 VanDerWaalsContact CB-ND2 3.33Å; A780-N789 WeakPolarHBondContact CB-ND2 3.24Å; A780-N789 WeakPolarHBondContact CB-OD1 3.46Å; R781-N789 PolarHBondContact N-OD1 2.8Å; R781-N789 PolarHBondContact O-N 2.89Å; V787-N789 PolarHBondContact O-N 2.72Å
790	G	67.6	Low	76.3	Confident	25 Å²	25	65.6 Å²	65.6	26%	0.258	34%	0.336	S	S	.	.			trans	-67.5	156.6	-178.6	0	0	0	0	0	112	D783 V787 C788 G792	D783-G790 WeakPolarHBondContact CB-O 3.34Å; D783-G790 VanDerWaalsContact OD2-C 3.26Å; D783-G790 VanDerWaalsContact OD2-CA 3.26Å; D783-G790 WeakPolarHBondContact OD2-CA 3.36Å; V787-G790 PolarHBondContact O-N 2.98Å; V787-G790 VanDerWaalsContact O-N 3.07Å; C788-G790 PolarHBondContact O-N 2.92Å; G790-G792 VanDerWaalsContact C-N 3.28Å; G790-G792 PolarHBondContact O-N 2.02Å
791	N	74	Confident	76.9	Confident	120 Å²	120	69.8 Å²	69.8	64%	0.642	36%	0.358	S	S	*	.			trans	-87.3	7.1	-179	63.1	12.9	0	0	0	113.4	K793	N791-K793 VanDerWaalsContact C-N 3.33Å; N791-K793 PolarHBondContact O-N 3.17Å; N791-K793 VanDerWaalsContact OD1-CB 3.3Å; N791-K793 WeakPolarHBondContact OD1-CB 3.47Å; N791-K793 PolarHBondContact OD1-N 3.14Å; N791-K793 VanDerWaalsContact OD1-N 3.09Å
792	G	70.1	Confident	77.2	Confident	19 Å²	19	61.7 Å²	61.7	20%	0.196	33%	0.328	C	S	.	.	S	Bend	trans	68.4	26.4	-178.1	0	0	0	0	0	114.4	D783 H784 G790	D783-G792 WeakPolarHBondContact OD2-CA 3.48Å; D783-G792 PolarHBondContact OD2-N 3.02Å; H784-G792 WeakPolarHBondContact CE1-CA 3.4Å; H784-G792 PolarHBondContact CE1-O 2.87Å; H784-G792 VanDerWaalsContact CE1-O 3.24Å; H784-G792 PolarHBondContact NE2-O 3.44Å; G790-G792 VanDerWaalsContact C-N 3.28Å; G790-G792 PolarHBondContact O-N 2.02Å
793	K	74.9	Confident	77.2	Confident	163 Å²	163	61 Å²	61	71%	0.709	33%	0.328	S	S	*	.			trans	-119.2	-6.5	178.7	-55.4	179.7	-178.3	178	0	114.1	N791 C795	N791-K793 VanDerWaalsContact C-N 3.33Å; N791-K793 PolarHBondContact O-N 3.17Å; N791-K793 VanDerWaalsContact OD1-CB 3.3Å; N791-K793 WeakPolarHBondContact OD1-CB 3.47Å; N791-K793 PolarHBondContact OD1-N 3.14Å; N791-K793 VanDerWaalsContact OD1-N 3.09Å; K793-C795 PolarHBondContact O-N 3.01Å
794	S	72.8	Confident	76.5	Confident	38 Å²	38	63.5 Å²	63.5	27%	0.266	34%	0.338	S	S	.	.	S	Bend	trans	-79	2	179.1	49.1	0	0	0	0	113.8	C785 V787 S907	C785-S794 WeakPolarHBondContact CB-OG 3.17Å; C785-S794 PolarHBondContact SG-OG 3.46Å; C785-S794 VanDerWaalsContact SG-OG 3.37Å; V787-S794 VanDerWaalsContact CG2-OG 3.3Å; V787-S794 WeakPolarHBondContact CG2-OG 3.48Å; S794-S907 PolarHBondContact O-N 3.49Å
795	C	79.7	Confident	75.7	Confident	11 Å²	11	63.8 Å²	63.8	7%	0.074	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	175.1	178.1	72.5	0	0	0	0	111	H784 C785 K793 I905	H784-C795 PolarHBondContact CD2-SG 3.46Å; C785-C795 WeakPolarHBondContact CA-SG 3.4Å; C785-C795 HydrophobicContact CB-CB 3.45Å; C785-C795 VanDerWaalsContact CB-CB 3.45Å; C785-C795 WeakPolarHBondContact CB-SG 3.42Å; C785-C795 WeakPolarHBondContact SG-CB 3.41Å; C785-C795 PolarHBondContact SG-N 3.02Å; C785-C795 CovalentContact SG-SG 2.02Å; C785-C795 PolarHBondContact SG-SG 2.92Å; K793-C795 PolarHBondContact O-N 3.01Å; C795-I905 CarbonylContact C-O 3.45Å; C795-I905 WeakPolarHBondContact CA-O 3.4Å; C795-I905 WeakPolarHBondContact CB-O 3.4Å
796	K	81	Confident	74.7	Confident	128 Å²	128	72.8 Å²	72.8	56%	0.557	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.5	167	-67.7	156.8	-167.7	147.6	0	109.1	T904 I905 S907	K796-T904 VanDerWaalsContact O-CA 3.29Å; K796-T904 WeakPolarHBondContact O-CA 3.03Å; K796-I905 HydrophobicContact CB-CG1 4.21Å; K796-I905 PolarHBondContact N-O 2.96Å; K796-I905 PolarHBondContact O-N 3.45Å; K796-S907 VanDerWaalsContact CE-OG 3.29Å; K796-S907 WeakPolarHBondContact CE-OG 3.37Å; K796-S907 PolarHBondContact NZ-OG 3.32Å
797	I	82.3	Confident	74.1	Confident	73 Å²	73	73.6 Å²	73.6	37%	0.374	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	125.8	170.1	-46	179.2	0	0	0	108.4	H784 K799 E902 T904	H784-I797 HydrophobicContact CB-CD1 4.48Å; H784-I797 VanDerWaalsContact CD2-CG1 3.45Å; H784-I797 WeakPolarHBondContact CD2-CG1 3.41Å; I797-K799 HydrophobicContact CG2-CG 3.98Å; I797-E902 HydrophobicContact CG2-CG 4.18Å; I797-T904 HydrophobicContact CB-CG2 4.21Å; I797-T904 HydrophobicContact CG1-CG2 3.9Å; I797-T904 HydrophobicContact CG2-CG2 4.16Å
798	I	82.9	Confident	73.3	Confident	53 Å²	53	75.1 Å²	75.1	27%	0.272	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	131.5	168.6	-52.5	-56.8	0	0	0	107.5	E902 Y903 I905	I798-E902 WeakPolarHBondContact O-CA 3.31Å; I798-Y903 HydrophobicContact CB-CD1 4.28Å; I798-Y903 HydrophobicContact CB-CD2 4.28Å; I798-Y903 HydrophobicContact CB-CE1 3.93Å; I798-Y903 HydrophobicContact CB-CE2 3.94Å; I798-Y903 HydrophobicContact CB-CG 4.45Å; I798-Y903 HydrophobicContact CG1-CD2 4.43Å; I798-Y903 HydrophobicContact CG1-CE2 3.92Å; I798-Y903 HydrophobicContact CG2-CD1 4.48Å; I798-Y903 HydrophobicContact CG2-CE1 3.74Å; I798-Y903 HydrophobicContact CG2-CE2 4.33Å; I798-Y903 PolarHBondContact N-O 3.12Å; I798-Y903 PolarHBondContact O-N 3.16Å; I798-Y903 VanDerWaalsContact O-O 3.09Å; I798-I905 HydrophobicContact CD1-CD1 4.05Å; I798-I905 HydrophobicContact CD1-CG1 4.44Å; I798-I905 HydrophobicContact CG1-CD1 4.08Å; I798-I905 HydrophobicContact CG1-CG1 4.19Å
799	K	86.6	Confident	73.1	Confident	110 Å²	110	73.6 Å²	73.6	48%	0.478	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	155.2	173	-59.9	-167.7	-179.3	-131.1	0	109.9	I797 Y901 E902	I797-K799 HydrophobicContact CG2-CG 3.98Å; K799-Y901 VanDerWaalsContact CA-O 3.25Å; K799-Y901 WeakPolarHBondContact CA-O 3.38Å; K799-E902 HydrophobicContact CD-CG 4.48Å; K799-E902 VanDerWaalsContact CE-CD 3.41Å; K799-E902 WeakPolarHBondContact CE-OE1 3.2Å; K799-E902 HydrophobicContact CG-CB 4.21Å; K799-E902 HydrophobicContact CG-CG 4.17Å; K799-E902 IonicContact NZ-OE1 3.64Å; K799-E902 PolarHBondContact NZ-OE1 3.38Å; K799-E902 IonicContact NZ-OE2 3.65Å; K799-E902 PolarHBondContact NZ-OE2 2.82Å
800	G	83.1	Confident	73.5	Confident	12 Å²	12	71.1 Å²	71.1	12%	0.124	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.5	171.6	169	0	0	0	0	0	112.2	Y901	G800-Y901 PolarHBondContact N-O 3.38Å; G800-Y901 WeakPolarHBondContact O-CD1 3.14Å; G800-Y901 WeakPolarHBondContact O-CE1 3.2Å; G800-Y901 PolarHBondContact O-N 3.03Å
801	D	83.3	Confident	74.2	Confident	95 Å²	95	71.3 Å²	71.3	51%	0.508	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	126.7	-172.2	-49.8	-70.9	0	0	0	108.6	L899 H900	D801-L899 WeakPolarHBondContact CA-O 3.26Å; D801-H900 IonicContact OD1-CE1 2.71Å; D801-H900 IonicContact OD1-CG 2.72Å; D801-H900 IonicContact OD1-ND1 3.13Å; D801-H900 PolarHBondContact OD1-ND1 3.26Å
802	F	79.6	Confident	74.7	Confident	29 Å²	29	69.9 Å²	69.9	13%	0.127	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	102.9	-179.2	177.1	-95.6	0	0	0	110.3	H804 V811 V813 V889 L899	F802-H804 HydrophobicContact CD1-CB 4.05Å; F802-H804 HydrophobicContact CD2-CB 4.35Å; F802-H804 HydrophobicContact CE1-CB 3.43Å; F802-H804 VanDerWaalsContact CE1-CB 3.43Å; F802-H804 HydrophobicContact CE2-CB 3.78Å; F802-H804 HydrophobicContact CG-CB 4.49Å; F802-H804 HydrophobicContact CZ-CB 3.28Å; F802-H804 AromaticContact CZ-CG 3.8Å; F802-V811 HydrophobicContact CZ-CG1 3.98Å; F802-V813 HydrophobicContact CB-CG1 3.64Å; F802-V813 HydrophobicContact CD1-CG1 4.07Å; F802-V813 HydrophobicContact CD1-CG2 4.15Å; F802-V813 HydrophobicContact CD2-CB 4.3Å; F802-V813 HydrophobicContact CD2-CG1 3.67Å; F802-V813 HydrophobicContact CE1-CG2 3.99Å; F802-V813 HydrophobicContact CE2-CB 4.35Å; F802-V813 HydrophobicContact CE2-CG1 4.21Å; F802-V813 HydrophobicContact CE2-CG2 4.39Å; F802-V813 HydrophobicContact CG-CB 4.44Å; F802-V813 HydrophobicContact CG-CG1 3.57Å; F802-V813 HydrophobicContact CG-CG2 4.42Å; F802-V813 HydrophobicContact CZ-CG2 4.1Å; F802-V889 HydrophobicContact CE1-CG2 4.26Å; F802-L899 HydrophobicContact CB-CB 4.2Å; F802-L899 HydrophobicContact CD1-CB 4.39Å; F802-L899 HydrophobicContact CD1-CD2 4.39Å; F802-L899 PolarHBondContact N-O 3.11Å; F802-L899 PolarHBondContact O-N 3.32Å; F802-L899 VanDerWaalsContact O-N 3.13Å
803	N	72.4	Confident	75.3	Confident	89 Å²	89	70 Å²	70	48%	0.476	36%	0.362	S	S	.	.			trans	-111.5	78	175.8	-73.1	-47.7	0	0	0	108.6	N896 G898	N803-N896 WeakPolarHBondContact CA-OD1 3.21Å; N803-N896 VanDerWaalsContact CB-OD1 3.32Å; N803-N896 WeakPolarHBondContact CB-OD1 3.34Å; N803-N896 PolarHBondContact OD1-OD1 3Å; N803-N896 VanDerWaalsContact OD1-OD1 3.09Å; N803-G898 VanDerWaalsContact OD1-CA 3.26Å; N803-G898 WeakPolarHBondContact OD1-CA 3.41Å; N803-G898 PolarHBondContact OD1-N 2.96Å
804	H	64	Low	75.8	Confident	73 Å²	73	63.5 Å²	63.5	34%	0.338	34%	0.335	S	S	.	.			trans	-104.7	137.4	178.8	-159.4	82	0	0	0	110.1	F802 R806	F802-H804 HydrophobicContact CD1-CB 4.05Å; F802-H804 HydrophobicContact CD2-CB 4.35Å; F802-H804 HydrophobicContact CE1-CB 3.43Å; F802-H804 VanDerWaalsContact CE1-CB 3.43Å; F802-H804 HydrophobicContact CE2-CB 3.78Å; F802-H804 HydrophobicContact CG-CB 4.49Å; F802-H804 HydrophobicContact CZ-CB 3.28Å; F802-H804 AromaticContact CZ-CG 3.8Å; H804-R806 PolarHBondContact NE2-O 2.89Å; H804-R806 VanDerWaalsContact NE2-O 3.14Å
805	T	55.7	Low	76.4	Confident	66 Å²	66	64.5 Å²	64.5	41%	0.405	34%	0.34	S	S	.	.			trans	-133.7	13.9	-165	69.5	0	0	0	0	114.4	D894 Q895 N896	T805-D894 WeakPolarHBondContact O-CB 3.45Å; T805-Q895 WeakPolarHBondContact CA-O 3.31Å; T805-N896 HydrophobicContact CG2-CB 4.08Å
806	R	55.6	Low	76.8	Confident	195 Å²	195	64.1 Å²	64.1	74%	0.736	34%	0.337	S	S	*	.			trans	-147.2	113.6	-178.3	-70.8	-170.5	-179.8	171.9	1.2	112.6	H804 D894	H804-R806 PolarHBondContact NE2-O 2.89Å; H804-R806 VanDerWaalsContact NE2-O 3.14Å; R806-D894 WeakPolarHBondContact CA-OD1 3.17Å
807	G	57	Low	77	Confident	30 Å²	30	60.3 Å²	60.3	31%	0.309	33%	0.325	S	S	.	.			trans	148.5	151.9	171.7	0	0	0	0	0	112.9	L891 D894	G807-L891 VanDerWaalsContact O-CB 3.25Å; G807-L891 WeakPolarHBondContact O-CB 3.42Å; G807-D894 PolarHBondContact N-OD1 3.39Å
808	A	62.6	Low	77	Confident	93 Å²	93	59.5 Å²	59.5	77%	0.769	33%	0.329	S	S	*	.	S	Bend	trans	-118.1	138.3	176.8	0	0	0	0	0	110.3
809	G	75.4	Confident	77	Confident	12 Å²	12	58 Å²	58	12%	0.124	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	92.1	-158.6	-173.5	0	0	0	0	0	112.9	V811 L891	G809-V811 PolarHBondContact O-N 2.69Å; G809-L891 PolarHBondContact N-O 3.36Å; G809-L891 PolarHBondContact O-N 3.21Å
810	Y	83	Confident	77	Confident	59 Å²	59	52.8 Å²	52.8	23%	0.231	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	112.7	-175.5	-66.5	-80.6	0	0	0	112.3	A836 N846 W849 L888 V889 L890	Y810-A836 HydrophobicContact CD1-CB 4.02Å; Y810-A836 HydrophobicContact CE1-CB 3.79Å; Y810-N846 WeakPolarHBondContact CE1-O 3.32Å; Y810-N846 VanDerWaalsContact CZ-O 3.28Å; Y810-N846 PolarHBondContact OH-O 3.37Å; Y810-W849 HydrophobicContact CE2-CD2 4.37Å; Y810-W849 WeakPolarHBondContact OH-CA 3.43Å; Y810-W849 PolarHBondContact OH-N 3.27Å; Y810-W849 VanDerWaalsContact OH-N 3.13Å; Y810-L888 HydrophobicContact CD1-CB 4.5Å; Y810-V889 WeakPolarHBondContact CA-O 3.38Å; Y810-L890 HydrophobicContact CD1-CB 3.97Å; Y810-L890 HydrophobicContact CD1-CD1 4.33Å; Y810-L890 HydrophobicContact CD2-CD1 4.22Å; Y810-L890 HydrophobicContact CE1-CB 3.75Å; Y810-L890 HydrophobicContact CE1-CD1 4.23Å; Y810-L890 HydrophobicContact CE1-CD2 4.24Å; Y810-L890 HydrophobicContact CE1-CG 4.29Å; Y810-L890 HydrophobicContact CE2-CD1 4.1Å; Y810-L890 HydrophobicContact CG-CD1 4.34Å
811	V	82.5	Confident	77.2	Confident	29 Å²	29	55.4 Å²	55.4	18%	0.176	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	130.8	173.2	-176.2	0	0	0	0	109.6	F802 G809 L888 V889 L891	F802-V811 HydrophobicContact CZ-CG1 3.98Å; G809-V811 PolarHBondContact O-N 2.69Å; V811-L888 CarbonylContact O-C 3.6Å; V811-L888 VanDerWaalsContact O-CA 3.26Å; V811-L888 WeakPolarHBondContact O-CA 2.98Å; V811-V889 PolarHBondContact N-O 2.94Å; V811-V889 PolarHBondContact O-N 2.89Å; V811-L891 HydrophobicContact CB-CD1 4.36Å; V811-L891 HydrophobicContact CG2-CD1 3.69Å; V811-L891 HydrophobicContact CG2-CG 4.11Å
812	E	83.9	Confident	77.3	Confident	90 Å²	90	55.9 Å²	55.9	42%	0.421	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	127.6	176.8	-167	169.3	91.6	0	0	111	R838 H886 L888	E812-R838 IonicContact OE2-NH2 2.81Å; E812-H886 IonicContact OE1-ND1 2.69Å; E812-H886 IonicContact OE2-CE1 2.85Å; E812-H886 IonicContact OE2-CG 2.89Å; E812-H886 IonicContact OE2-ND1 3.9Å; E812-H886 PolarHBondContact OE2-ND1 3.14Å; E812-L888 HydrophobicContact CB-CD2 3.89Å; E812-L888 HydrophobicContact CG-CD2 4.27Å
813	V	82.4	Confident	77.8	Confident	22 Å²	22	54.9 Å²	54.9	13%	0.133	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-55.4	-176.3	-173.6	0	0	0	0	110.1	F802 L887 V889 L899	F802-V813 HydrophobicContact CB-CG1 3.64Å; F802-V813 HydrophobicContact CD1-CG1 4.07Å; F802-V813 HydrophobicContact CD1-CG2 4.15Å; F802-V813 HydrophobicContact CD2-CB 4.3Å; F802-V813 HydrophobicContact CD2-CG1 3.67Å; F802-V813 HydrophobicContact CE1-CG2 3.99Å; F802-V813 HydrophobicContact CE2-CB 4.35Å; F802-V813 HydrophobicContact CE2-CG1 4.21Å; F802-V813 HydrophobicContact CE2-CG2 4.39Å; F802-V813 HydrophobicContact CG-CB 4.44Å; F802-V813 HydrophobicContact CG-CG1 3.57Å; F802-V813 HydrophobicContact CG-CG2 4.42Å; F802-V813 HydrophobicContact CZ-CG2 4.1Å; V813-L887 HydrophobicContact CB-CB 4.22Å; V813-L887 HydrophobicContact CB-CD2 3.96Å; V813-L887 HydrophobicContact CB-CG 3.93Å; V813-L887 HydrophobicContact CG1-CD2 3.91Å; V813-L887 HydrophobicContact CG1-CG 4.42Å; V813-L887 HydrophobicContact CG2-CD2 4.33Å; V813-L887 HydrophobicContact CG2-CG 4.01Å; V813-L887 PolarHBondContact N-O 2.99Å; V813-V889 HydrophobicContact CG2-CG2 3.59Å; V813-L899 HydrophobicContact CG1-CD2 4.12Å; V813-L899 HydrophobicContact CG2-CD2 4.01Å
814	L	85.3	Confident	78.7	Confident	26 Å²	26	54.4 Å²	54.4	14%	0.136	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	166.1	172.2	68.8	140.6	0	0	0	110.5	I816 L887 Y901 Y903	L814-I816 HydrophobicContact CD1-CG1 3.71Å; L814-I816 HydrophobicContact CG-CG1 4.21Å; L814-L887 HydrophobicContact CD2-CB 4.45Å; L814-L887 HydrophobicContact CD2-CD2 3.75Å; L814-L887 PolarHBondContact O-N 3.44Å; L814-Y901 HydrophobicContact CD1-CD2 4.25Å; L814-Y901 HydrophobicContact CD1-CE2 4.1Å; L814-Y901 HydrophobicContact CD2-CD1 3.73Å; L814-Y901 HydrophobicContact CD2-CD2 3.82Å; L814-Y901 HydrophobicContact CD2-CE1 3.79Å; L814-Y901 HydrophobicContact CD2-CE2 3.89Å; L814-Y901 HydrophobicContact CD2-CG 3.75Å; L814-Y903 HydrophobicContact CD1-CE1 3.55Å
815	V	86.1	Confident	80	Confident	60 Å²	60	51 Å²	51	36%	0.364	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	112.3	164.7	-174.8	0	0	0	0	108.7	P884	V815-P884 HydrophobicContact CG1-CB 3.65Å
816	I	87.9	Confident	81.5	Confident	2 Å²	2	49 Å²	49	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	121.6	172.1	-60.5	166	0	0	0	107.1	L814 A820 I823 P884 L885 Y903	L814-I816 HydrophobicContact CD1-CG1 3.71Å; L814-I816 HydrophobicContact CG-CG1 4.21Å; I816-A820 HydrophobicContact CG2-CB 3.47Å; I816-A820 VanDerWaalsContact CG2-CB 3.47Å; I816-I823 HydrophobicContact CD1-CG2 3.83Å; I816-I823 HydrophobicContact CG2-CD1 3.86Å; I816-I823 HydrophobicContact CG2-CG1 4.18Å; I816-P884 CarbonylContact O-C 3.32Å; I816-P884 VanDerWaalsContact O-CA 3.27Å; I816-P884 WeakPolarHBondContact O-CA 3.5Å; I816-L885 HydrophobicContact CB-CB 4.29Å; I816-L885 PolarHBondContact N-O 2.84Å; I816-L885 PolarHBondContact O-N 2.72Å; I816-Y903 HydrophobicContact CG1-CD1 4.49Å; I816-Y903 HydrophobicContact CG1-CE1 4.44Å; I816-Y903 HydrophobicContact CG2-CD2 4.23Å; I816-Y903 HydrophobicContact CG2-CE2 4.43Å; I816-Y903 HydrophobicContact CG2-CG 4.36Å
817	P	85.3	Confident	82.8	Confident	49 Å²	49	39.8 Å²	39.8	32%	0.318	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-70.7	163.5	-173.3	29.2	-35.8	0	0	0	112.8	A820 T881 Y903 I905	P817-A820 VanDerWaalsContact O-CB 3.23Å; P817-A820 WeakPolarHBondContact O-CB 3.09Å; P817-A820 PolarHBondContact O-N 3.43Å; P817-T881 PolarHBondContact O-OG1 2.03Å; P817-Y903 HydrophobicContact CG-CE2 4.23Å; P817-I905 HydrophobicContact CG-CG2 3.92Å
818	A	82.9	Confident	83.7	Confident	56 Å²	56	44.3 Å²	44.3	46%	0.463	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	147.8	164.2	0	0	0	0	0	110.7	A820 T881	A818-A820 VanDerWaalsContact C-N 3.3Å; A818-T881 WeakPolarHBondContact CA-OG1 3.41Å
819	G	82.4	Confident	84.2	Confident	21 Å²	21	46.4 Å²	46.4	22%	0.216	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	-3.8	-173.2	0	0	0	0	0	114.9	T881 P906	G819-T881 PolarHBondContact N-O 2.61Å; G819-T881 PolarHBondContact N-OG1 2.99Å; G819-P906 VanDerWaalsContact O-CD 3.3Å; G819-P906 WeakPolarHBondContact O-CD 3.42Å
820	A	85.9	Confident	84.1	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.259	C	S	.	.			trans	-70.3	140.9	-178.6	0	0	0	0	0	112.5	I816 P817 A818 I823 P880 T881 Y903 T904 I905	I816-A820 HydrophobicContact CG2-CB 3.47Å; I816-A820 VanDerWaalsContact CG2-CB 3.47Å; P817-A820 VanDerWaalsContact O-CB 3.23Å; P817-A820 WeakPolarHBondContact O-CB 3.09Å; P817-A820 PolarHBondContact O-N 3.43Å; A818-A820 VanDerWaalsContact C-N 3.3Å; A820-I823 HydrophobicContact CB-CD1 4.22Å; A820-I823 HydrophobicContact CB-CG1 4.38Å; A820-P880 WeakPolarHBondContact O-CA 3.35Å; A820-T881 PolarHBondContact N-OG1 3.07Å; A820-T881 PolarHBondContact O-N 2.87Å; A820-T881 VanDerWaalsContact O-N 3.09Å; A820-Y903 HydrophobicContact CB-CD2 3.99Å; A820-T904 CarbonylContact C-O 3.59Å; A820-T904 WeakPolarHBondContact CA-O 3.15Å; A820-I905 HydrophobicContact CB-CG2 4.49Å
821	R	87.3	Confident	83.5	Confident	68 Å²	68	47.7 Å²	47.7	26%	0.257	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	165	-176.3	-77.8	179.3	152.4	-158.8	-12.2	112.2	C785 G786 I823 K878 P880 T904	C785-R821 VanDerWaalsContact O-CD 3.31Å; C785-R821 WeakPolarHBondContact O-CD 3.46Å; C785-R821 PolarHBondContact O-NH1 2.83Å; G786-R821 PolarHBondContact O-NH1 2.81Å; R821-I823 PolarHBondContact O-N 3.31Å; R821-I823 VanDerWaalsContact O-N 3.12Å; R821-K878 CarbonylContact C-O 3.57Å; R821-K878 VanDerWaalsContact CA-O 3.3Å; R821-K878 WeakPolarHBondContact CA-O 3.39Å; R821-P880 HydrophobicContact CG-CB 4.01Å; R821-T904 PolarHBondContact N-O 2.93Å; R821-T904 PolarHBondContact O-N 2.96Å; R821-T904 PolarHBondContact O-OG1 3.47Å
822	R	86.6	Confident	83.1	Confident	105 Å²	105	51.5 Å²	51.5	40%	0.396	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	43.8	44.1	-177.7	-63.8	-178.2	72.1	-101.9	5.1	113	H784 K824 A877 K878	H784-R822 VanDerWaalsContact O-CD 3.25Å; H784-R822 WeakPolarHBondContact O-CD 3.22Å; R822-K824 PolarHBondContact O-N 3.26Å; R822-A877 CarbonylContact C-O 3.55Å; R822-K878 PolarHBondContact N-O 3.4Å
823	I	90.3	Very high	82.9	Confident	7 Å²	7	47.2 Å²	47.2	4%	0.036	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	127.2	179.3	-62.2	163.7	0	0	0	108.2	I816 A820 R821 S876 A877 T881 L885 E902	I816-I823 HydrophobicContact CD1-CG2 3.83Å; I816-I823 HydrophobicContact CG2-CD1 3.86Å; I816-I823 HydrophobicContact CG2-CG1 4.18Å; A820-I823 HydrophobicContact CB-CD1 4.22Å; A820-I823 HydrophobicContact CB-CG1 4.38Å; R821-I823 PolarHBondContact O-N 3.31Å; R821-I823 VanDerWaalsContact O-N 3.12Å; I823-S876 CarbonylContact O-C 3.53Å; I823-S876 WeakPolarHBondContact O-CA 3.01Å; I823-A877 HydrophobicContact CB-CB 4.31Å; I823-A877 PolarHBondContact N-O 2.67Å; I823-A877 PolarHBondContact O-N 2.93Å; I823-T881 HydrophobicContact CD1-CG2 3.62Å; I823-L885 HydrophobicContact CD1-CD1 4.35Å; I823-E902 CarbonylContact C-O 3.54Å
824	K	89.9	Confident	83	Confident	80 Å²	80	48.1 Å²	48.1	35%	0.348	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	122.7	178.1	173.8	-166.7	164.1	-152.5	0	107.8	R822 V826 Y901 E902	R822-K824 PolarHBondContact O-N 3.26Å; K824-V826 HydrophobicContact CG-CG2 3.98Å; K824-Y901 CarbonylContact O-C 3.58Å; K824-Y901 WeakPolarHBondContact O-CA 3.3Å; K824-E902 PolarHBondContact N-O 2.81Å; K824-E902 IonicContact NZ-OE2 2.73Å; K824-E902 PolarHBondContact O-N 2.79Å
825	V	91.1	Very high	83.2	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.012	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	129.5	175.1	-179.1	0	0	0	0	107	L835 K874 I875 L887 L899 H900	V825-L835 HydrophobicContact CG1-CD1 4.2Å; V825-K874 WeakPolarHBondContact O-CA 3.2Å; V825-I875 HydrophobicContact CB-CB 4.24Å; V825-I875 PolarHBondContact N-O 2.96Å; V825-I875 PolarHBondContact O-N 3.41Å; V825-I875 VanDerWaalsContact O-O 3.08Å; V825-L887 HydrophobicContact CB-CD2 4.46Å; V825-L887 HydrophobicContact CG1-CD1 4.16Å; V825-L887 HydrophobicContact CG1-CD2 3.82Å; V825-L887 HydrophobicContact CG2-CD1 4.28Å; V825-L887 HydrophobicContact CG2-CD2 3.78Å; V825-L899 HydrophobicContact CG1-CD1 3.49Å; V825-L899 VanDerWaalsContact CG1-CD1 3.49Å; V825-L899 HydrophobicContact CG1-CD2 4.19Å; V825-L899 HydrophobicContact CG1-CG 3.96Å; V825-H900 WeakPolarHBondContact CA-O 3.4Å
826	V	88.2	Confident	83.3	Confident	23 Å²	23	44 Å²	44	14%	0.139	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	128.8	-172.1	173.7	0	0	0	0	109.6	K824 W872 K874 H900	K824-V826 HydrophobicContact CG-CG2 3.98Å; V826-W872 HydrophobicContact CG1-CZ2 3.7Å; V826-K874 HydrophobicContact CG2-CB 4.26Å; V826-K874 HydrophobicContact CG2-CD 4.12Å; V826-K874 HydrophobicContact CG2-CG 3.89Å; V826-H900 PolarHBondContact N-O 3.46Å; V826-H900 PolarHBondContact O-N 3.35Å
827	E	83.9	Confident	83.4	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.009	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	126.4	162.2	-92.2	170.6	167.6	0	0	110.1	K829 S833 W872 E873 L899	E827-K829 VanDerWaalsContact C-N 3.26Å; E827-S833 PolarHBondContact OE1-OG 3.31Å; E827-W872 VanDerWaalsContact O-CD1 3.32Å; E827-W872 PolarHBondContact O-NE1 3.27Å; E827-E873 PolarHBondContact N-O 3.39Å; E827-E873 VanDerWaalsContact N-O 3.07Å; E827-E873 PolarHBondContact OE2-N 2.86Å; E827-L899 HydrophobicContact CG-CD1 4.32Å
828	E	76	Confident	83.5	Confident	125 Å²	125	46.3 Å²	46.3	58%	0.584	23%	0.226	S	C	*	.	S	Bend	trans	-72.1	-23.7	172.9	-66.9	-164.1	135.8	0	0	112.2	G898 H900	E828-G898 WeakPolarHBondContact CB-O 3.44Å; E828-G898 WeakPolarHBondContact CG-O 3Å; E828-G898 PolarHBondContact N-O 3.37Å; E828-H900 HydrophobicContact CG-CB 4.25Å
829	K	72	Confident	83.6	Confident	137 Å²	137	44.4 Å²	44.4	60%	0.596	21%	0.208	S	C	*	.	S	Bend	trans	-137.2	141.8	-178.8	-62.4	-177.8	-175.8	178.3	0	109.8	E827 A831	E827-K829 VanDerWaalsContact C-N 3.26Å; K829-A831 PolarHBondContact O-N 3.37Å
830	P	73.4	Confident	83.2	Confident	90 Å²	90	47 Å²	47	58%	0.584	23%	0.227	S	C	*	.			trans	-64	132	173.6	-13.4	27.4	0	0	0	110.2	L871 W872	P830-L871 CarbonylContact C-O 3.45Å; P830-L871 WeakPolarHBondContact CA-O 3.45Å; P830-L871 HydrophobicContact CB-CB 3.7Å; P830-W872 HydrophobicContact CB-CB 4.28Å; P830-W872 HydrophobicContact CG-CB 4.35Å
831	A	70.9	Confident	81.9	Confident	7 Å²	7	49.4 Å²	49.4	6%	0.058	25%	0.253	C	S	.	.			trans	-142.9	163.7	-174.7	0	0	0	0	0	112.5	K829 S833 L871 Y897	K829-A831 PolarHBondContact O-N 3.37Å; A831-S833 WeakPolarHBondContact CB-OG 3.05Å; A831-S833 PolarHBondContact O-N 3.32Å; A831-L871 PolarHBondContact N-O 2.86Å; A831-Y897 HydrophobicContact CB-CD1 3.65Å; A831-Y897 HydrophobicContact CB-CE1 3.93Å
832	H	74.2	Confident	80.9	Confident	109 Å²	109	55.4 Å²	55.4	51%	0.505	28%	0.28	S	S	.	.	S	Bend	trans	-84.9	46.3	179	-68.9	-80.3	0	0	0	112.3	L871 F892	H832-L871 VanDerWaalsContact CE1-CD1 3.46Å; H832-L871 WeakPolarHBondContact CE1-CD1 3.48Å; H832-F892 VanDerWaalsContact O-CD2 3.3Å; H832-F892 WeakPolarHBondContact O-CD2 3.21Å
833	S	78.7	Confident	80.5	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.286	C	S	.	.			trans	-108.7	174.2	-179.6	17.4	0	0	0	0	111.1	E827 A831 R868 Y897	E827-S833 PolarHBondContact OE1-OG 3.31Å; A831-S833 WeakPolarHBondContact CB-OG 3.05Å; A831-S833 PolarHBondContact O-N 3.32Å; S833-R868 PolarHBondContact O-NH2 3.05Å; S833-Y897 WeakPolarHBondContact OG-CD1 3.41Å; S833-Y897 WeakPolarHBondContact OG-CE1 3.21Å
834	Y	85.9	Confident	80.2	Confident	42 Å²	42	56.9 Å²	56.9	17%	0.165	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	130.3	155.6	-63.7	-92.8	0	0	0	109.7	I851 R868 E873 V889 L890 F892	Y834-I851 HydrophobicContact CD1-CB 4.47Å; Y834-I851 HydrophobicContact CD1-CD1 4.21Å; Y834-I851 HydrophobicContact CD1-CG1 3.9Å; Y834-I851 HydrophobicContact CD1-CG2 3.74Å; Y834-I851 HydrophobicContact CD2-CD1 4.01Å; Y834-I851 HydrophobicContact CD2-CG1 4.21Å; Y834-I851 HydrophobicContact CE1-CB 4.28Å; Y834-I851 HydrophobicContact CE1-CD1 3.73Å; Y834-I851 HydrophobicContact CE1-CG1 3.84Å; Y834-I851 HydrophobicContact CE1-CG2 3.43Å; Y834-I851 VanDerWaalsContact CE1-CG2 3.43Å; Y834-I851 HydrophobicContact CE2-CD1 3.56Å; Y834-I851 HydrophobicContact CE2-CG1 4.22Å; Y834-I851 HydrophobicContact CG-CD1 4.35Å; Y834-I851 HydrophobicContact CG-CG1 4.1Å; Y834-I851 VanDerWaalsContact CZ-CD1 3.43Å; Y834-R868 VanDerWaalsContact CE1-NH1 3.27Å; Y834-R868 PolarHBondContact OH-NH1 3.32Å; Y834-R868 VanDerWaalsContact OH-NH1 3.17Å; Y834-E873 WeakPolarHBondContact CD1-OE1 3.46Å; Y834-V889 WeakPolarHBondContact O-CA 3.33Å; Y834-L890 HydrophobicContact CD2-CD2 4.16Å; Y834-L890 PolarHBondContact N-O 3.1Å; Y834-L890 PolarHBondContact O-N 2.96Å; Y834-F892 AromaticContact CD2-CE2 3.62Å; Y834-F892 HydrophobicContact CD2-CE2 3.62Å; Y834-F892 AromaticContact CD2-CZ 3.88Å; Y834-F892 HydrophobicContact CD2-CZ 3.88Å; Y834-F892 AromaticContact CE2-CE2 3.64Å; Y834-F892 HydrophobicContact CE2-CE2 3.64Å; Y834-F892 AromaticContact CE2-CZ 3.79Å; Y834-F892 HydrophobicContact CE2-CZ 3.79Å
835	L	88.7	Confident	80.1	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	121.6	170.2	-57.2	-175.1	0	0	0	108.8	V825 N846 E873 I875 V889 L899	V825-L835 HydrophobicContact CG1-CD1 4.2Å; L835-N846 WeakPolarHBondContact O-CB 3.34Å; L835-N846 PolarHBondContact O-ND2 3.39Å; L835-E873 WeakPolarHBondContact CB-OE2 3.17Å; L835-E873 HydrophobicContact CD1-CB 3.72Å; L835-E873 HydrophobicContact CG-CB 3.86Å; L835-E873 PolarHBondContact N-OE2 3.14Å; L835-I875 HydrophobicContact CB-CD1 3.76Å; L835-I875 HydrophobicContact CB-CG1 4.38Å; L835-V889 HydrophobicContact CD2-CG1 4.29Å; L835-V889 HydrophobicContact CD2-CG2 3.97Å; L835-L899 HydrophobicContact CD1-CD1 3.93Å; L835-L899 HydrophobicContact CD2-CD1 3.55Å; L835-L899 HydrophobicContact CD2-CD2 3.82Å; L835-L899 HydrophobicContact CD2-CG 4.32Å; L835-L899 HydrophobicContact CG-CD1 4.41Å
836	A	88.6	Confident	79.8	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	150.5	178.7	0	0	0	0	0	111.1	Y810 I845 N846 L888	Y810-A836 HydrophobicContact CD1-CB 4.02Å; Y810-A836 HydrophobicContact CE1-CB 3.79Å; A836-I845 VanDerWaalsContact CA-O 3.27Å; A836-I845 WeakPolarHBondContact CA-O 3.35Å; A836-I845 WeakPolarHBondContact CB-O 3.37Å; A836-N846 HydrophobicContact CB-CB 3.93Å; A836-L888 HydrophobicContact CB-CB 3.87Å; A836-L888 PolarHBondContact N-O 3.04Å; A836-L888 PolarHBondContact O-N 2.8Å; A836-L888 VanDerWaalsContact O-O 3.05Å
837	L	89.3	Confident	78.9	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.021	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	128.1	-175.7	-164.5	72.9	0	0	0	108.8	S844 I845 L859 V864 I875 L885 H886 L887	L837-S844 CarbonylContact O-C 3.54Å; L837-S844 WeakPolarHBondContact O-CA 3.31Å; L837-I845 HydrophobicContact CB-CB 4.4Å; L837-I845 HydrophobicContact CD2-CD1 4.4Å; L837-I845 PolarHBondContact N-O 2.98Å; L837-I845 PolarHBondContact O-N 3.46Å; L837-L859 HydrophobicContact CD2-CD2 4.47Å; L837-V864 HydrophobicContact CD2-CG1 3.77Å; L837-V864 HydrophobicContact CD2-CG2 4.05Å; L837-I875 HydrophobicContact CB-CD1 4.33Å; L837-I875 HydrophobicContact CD2-CG2 4.2Å; L837-L885 HydrophobicContact CD1-CB 4.18Å; L837-L885 HydrophobicContact CD2-CD1 4.26Å; L837-L885 HydrophobicContact CD2-CD2 4.34Å; L837-L885 HydrophobicContact CG-CD2 4.26Å; L837-H886 WeakPolarHBondContact CA-O 3.45Å; L837-L887 HydrophobicContact CD1-CB 4.26Å; L837-L887 HydrophobicContact CD1-CD1 3.99Å
838	R	87.4	Confident	78.2	Confident	94 Å²	94	57.8 Å²	57.8	36%	0.355	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	132	-175.4	-175.4	-174.7	67	-162.1	-6.8	111.8	E812 H886 L888	E812-R838 IonicContact OE2-NH2 2.81Å; R838-H886 HydrophobicContact CB-CB 4.36Å; R838-H886 PolarHBondContact N-O 3.01Å; R838-H886 WeakPolarHBondContact O-CB 3.5Å; R838-H886 PolarHBondContact O-N 3.4Å; R838-L888 HydrophobicContact CB-CD1 3.97Å
839	D	84.4	Confident	77.9	Confident	16 Å²	16	61 Å²	61	9%	0.086	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	152.9	171.6	-172.4	-3.5	0	0	0	110.5	G841 K842 Q843 A860 A883 L885	D839-G841 PolarHBondContact O-N 2.75Å; D839-G841 PolarHBondContact OD1-N 2.83Å; D839-K842 PolarHBondContact O-N 3.27Å; D839-Q843 PolarHBondContact N-O 3.4Å; D839-A860 WeakPolarHBondContact OD2-CA 3.31Å; D839-A860 PolarHBondContact OD2-N 3.24Å; D839-A883 VanDerWaalsContact OD1-CB 3.31Å; D839-A883 WeakPolarHBondContact OD1-CB 3.44Å; D839-L885 HydrophobicContact CB-CD2 4.24Å
840	A	74.1	Confident	78	Confident	75 Å²	75	60.1 Å²	60.1	62%	0.62	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-25.7	168.8	0	0	0	0	0	112.5	K842	A840-K842 PolarHBondContact O-N 2.85Å; A840-K842 VanDerWaalsContact O-N 3.15Å
841	G	60.1	Low	78.4	Confident	52 Å²	52	59.4 Å²	59.4	54%	0.536	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	14.5	177.1	0	0	0	0	0	116.9	D839 Q843	D839-G841 PolarHBondContact O-N 2.75Å; D839-G841 PolarHBondContact OD1-N 2.83Å; G841-Q843 PolarHBondContact O-N 2.97Å
842	K	64.5	Low	79	Confident	193 Å²	193	61.3 Å²	61.3	84%	0.839	31%	0.306	S	S	*	.	S	Bend	trans	66.4	-0.1	-172.5	-52	-177.6	-180	-179.4	0	116.5	D839 A840	D839-K842 PolarHBondContact O-N 3.27Å; A840-K842 PolarHBondContact O-N 2.85Å; A840-K842 VanDerWaalsContact O-N 3.15Å
843	Q	78.1	Confident	79.3	Confident	108 Å²	108	64 Å²	64	51%	0.505	32%	0.318	S	S	.	.			trans	-80.3	143.3	173.1	-67.3	-175.2	-53.6	0	0	111	D839 G841 N858 L859	D839-Q843 PolarHBondContact N-O 3.4Å; G841-Q843 PolarHBondContact O-N 2.97Å; Q843-N858 PolarHBondContact OE1-O 3.24Å; Q843-L859 HydrophobicContact CB-CG 4.22Å
844	S	85.4	Confident	79.6	Confident	36 Å²	36	67.1 Å²	67.1	25%	0.252	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	159	-173.7	60.4	0	0	0	0	113.4	L837 S847	L837-S844 CarbonylContact O-C 3.54Å; L837-S844 WeakPolarHBondContact O-CA 3.31Å; S844-S847 VanDerWaalsContact CB-CB 3.43Å
845	I	87.1	Confident	79.3	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	134	165.1	-51.6	175.7	0	0	0	106.5	A836 L837 S847 F857 L859 V864 Y866	A836-I845 VanDerWaalsContact CA-O 3.27Å; A836-I845 WeakPolarHBondContact CA-O 3.35Å; A836-I845 WeakPolarHBondContact CB-O 3.37Å; L837-I845 HydrophobicContact CB-CB 4.4Å; L837-I845 HydrophobicContact CD2-CD1 4.4Å; L837-I845 PolarHBondContact N-O 2.98Å; L837-I845 PolarHBondContact O-N 3.46Å; I845-S847 PolarHBondContact O-N 2.98Å; I845-F857 HydrophobicContact CD1-CB 3.86Å; I845-F857 HydrophobicContact CD1-CD2 3.83Å; I845-F857 HydrophobicContact CD1-CG 3.96Å; I845-F857 HydrophobicContact CG1-CB 3.99Å; I845-F857 HydrophobicContact CG1-CD1 4.41Å; I845-F857 HydrophobicContact CG1-CD2 4.18Å; I845-F857 HydrophobicContact CG1-CG 3.95Å; I845-F857 HydrophobicContact CG2-CE2 4.48Å; I845-L859 HydrophobicContact CD1-CD1 3.96Å; I845-L859 HydrophobicContact CG1-CD1 3.69Å; I845-L859 HydrophobicContact CG1-CD2 4.12Å; I845-V864 HydrophobicContact CD1-CB 4.04Å; I845-V864 HydrophobicContact CD1-CG1 3.65Å; I845-Y866 HydrophobicContact CG2-CD1 4.19Å; I845-Y866 HydrophobicContact CG2-CG 4.2Å
846	N	84	Confident	78.9	Confident	2 Å²	2	69.6 Å²	69.6	1%	0.011	37%	0.372	C	S	.	.	S	Bend	trans	55.3	15.3	177.9	-64.7	-23.3	0	0	0	115.9	Y810 L835 A836 K850 E852 Y866	Y810-N846 WeakPolarHBondContact CE1-O 3.32Å; Y810-N846 VanDerWaalsContact CZ-O 3.28Å; Y810-N846 PolarHBondContact OH-O 3.37Å; L835-N846 WeakPolarHBondContact O-CB 3.34Å; L835-N846 PolarHBondContact O-ND2 3.39Å; A836-N846 HydrophobicContact CB-CB 3.93Å; N846-K850 CarbonylContact C-O 3.51Å; N846-K850 VanDerWaalsContact CA-O 3.24Å; N846-K850 WeakPolarHBondContact CA-O 3.28Å; N846-E852 PolarHBondContact OD1-N 2.83Å; N846-Y866 PolarHBondContact ND2-OH 3.46Å; N846-Y866 VanDerWaalsContact ND2-OH 3.15Å
847	S	69.5	Low	78.7	Confident	8 Å²	8	71.9 Å²	71.9	6%	0.056	38%	0.382	C	S	.	.			trans	-86.7	174.4	176.3	-164.6	0	0	0	0	111.6	S844 I845 W849 K850	S844-S847 VanDerWaalsContact CB-CB 3.43Å; I845-S847 PolarHBondContact O-N 2.98Å; S847-W849 PolarHBondContact O-N 2.88Å; S847-W849 VanDerWaalsContact O-N 3.12Å; S847-K850 PolarHBondContact O-N 3.26Å
848	D	70.2	Confident	78.5	Confident	115 Å²	115	76.7 Å²	76.7	62%	0.615	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	30.4	165	-47.2	-12.3	0	0	0	112.5	K850	D848-K850 PolarHBondContact O-N 3.26Å
849	W	68.9	Low	78.3	Confident	192 Å²	192	72.4 Å²	72.4	73%	0.727	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	9.4	-177.2	-53.8	93.7	0	0	0	115.6	Y810 S847 L890	Y810-W849 HydrophobicContact CE2-CD2 4.37Å; Y810-W849 WeakPolarHBondContact OH-CA 3.43Å; Y810-W849 PolarHBondContact OH-N 3.27Å; Y810-W849 VanDerWaalsContact OH-N 3.13Å; S847-W849 PolarHBondContact O-N 2.88Å; S847-W849 VanDerWaalsContact O-N 3.12Å; W849-L890 HydrophobicContact CZ3-CD1 4.15Å
850	K	75.6	Confident	78.2	Confident	120 Å²	120	71.7 Å²	71.7	52%	0.522	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-97.9	125.9	172.4	-169.2	-168.8	175.3	-149.9	0	109.9	N846 S847 D848 E852	N846-K850 CarbonylContact C-O 3.51Å; N846-K850 VanDerWaalsContact CA-O 3.24Å; N846-K850 WeakPolarHBondContact CA-O 3.28Å; S847-K850 PolarHBondContact O-N 3.26Å; D848-K850 PolarHBondContact O-N 3.26Å; K850-E852 WeakPolarHBondContact CD-OE1 3.43Å; K850-E852 WeakPolarHBondContact CE-OE1 3.19Å; K850-E852 WeakPolarHBondContact CE-OE2 3.15Å; K850-E852 IonicContact NZ-OE1 2.84Å; K850-E852 PolarHBondContact NZ-OE1 2.95Å; K850-E852 IonicContact NZ-OE2 2.72Å; K850-E852 PolarHBondContact NZ-OE2 3.23Å
851	I	81.1	Confident	78.3	Confident	75 Å²	75	71.1 Å²	71.1	39%	0.385	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-93.8	129.2	171.6	-67.4	154	0	0	0	108.3	Y834	Y834-I851 HydrophobicContact CD1-CB 4.47Å; Y834-I851 HydrophobicContact CD1-CD1 4.21Å; Y834-I851 HydrophobicContact CD1-CG1 3.9Å; Y834-I851 HydrophobicContact CD1-CG2 3.74Å; Y834-I851 HydrophobicContact CD2-CD1 4.01Å; Y834-I851 HydrophobicContact CD2-CG1 4.21Å; Y834-I851 HydrophobicContact CE1-CB 4.28Å; Y834-I851 HydrophobicContact CE1-CD1 3.73Å; Y834-I851 HydrophobicContact CE1-CG1 3.84Å; Y834-I851 HydrophobicContact CE1-CG2 3.43Å; Y834-I851 VanDerWaalsContact CE1-CG2 3.43Å; Y834-I851 HydrophobicContact CE2-CD1 3.56Å; Y834-I851 HydrophobicContact CE2-CG1 4.22Å; Y834-I851 HydrophobicContact CG-CD1 4.35Å; Y834-I851 HydrophobicContact CG-CG1 4.1Å; Y834-I851 VanDerWaalsContact CZ-CD1 3.43Å
852	E	82.5	Confident	79.5	Confident	47 Å²	47	69.4 Å²	69.4	22%	0.22	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-97	160.3	176.2	-58.8	-68	-176.9	0	0	111.2	N846 K850 F857 Y866	N846-E852 PolarHBondContact OD1-N 2.83Å; K850-E852 WeakPolarHBondContact CD-OE1 3.43Å; K850-E852 WeakPolarHBondContact CE-OE1 3.19Å; K850-E852 WeakPolarHBondContact CE-OE2 3.15Å; K850-E852 IonicContact NZ-OE1 2.84Å; K850-E852 PolarHBondContact NZ-OE1 2.95Å; K850-E852 IonicContact NZ-OE2 2.72Å; K850-E852 PolarHBondContact NZ-OE2 3.23Å; E852-F857 HydrophobicContact CB-CE1 4.09Å; E852-F857 HydrophobicContact CB-CZ 3.83Å; E852-F857 HydrophobicContact CG-CE1 4.13Å; E852-F857 HydrophobicContact CG-CZ 4.37Å; E852-Y866 WeakPolarHBondContact O-CE1 3.39Å
853	H	80.8	Confident	80.5	Confident	165 Å²	165	63 Å²	63	76%	0.764	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-83.9	161.9	173.7	-64.4	-81.4	0	0	0	112	G855 F857	H853-G855 PolarHBondContact O-N 2.96Å; H853-F857 WeakPolarHBondContact O-CZ 3.04Å
854	S	85.4	Confident	81	Confident	65 Å²	65	57.9 Å²	57.9	46%	0.455	32%	0.322	S	S	.	.	S	Bend	trans	-53.4	127.6	172.9	-62.3	0	0	0	0	111.1	Y866 R868	S854-Y866 CarbonylContact C-O 3.58Å; S854-Y866 WeakPolarHBondContact CA-O 3.13Å; S854-R868 PolarHBondContact OG-N 2.92Å; S854-R868 PolarHBondContact OG-O 3.28Å
855	G	79.2	Confident	81	Confident	31 Å²	31	60.4 Å²	60.4	32%	0.32	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.3	-171.8	-170.3	0	0	0	0	0	114.4	H853 H865 Y866	H853-G855 PolarHBondContact O-N 2.96Å; G855-H865 WeakPolarHBondContact O-CA 3.48Å; G855-Y866 PolarHBondContact N-O 2.73Å; G855-Y866 PolarHBondContact O-N 3.38Å
856	A	81	Confident	81.2	Confident	64 Å²	64	60.4 Å²	60.4	53%	0.529	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125.5	175.6	0	0	0	0	0	109.7	T863 V864	A856-T863 HydrophobicContact CB-CG2 3.99Å; A856-V864 WeakPolarHBondContact CA-O 3.37Å
857	F	84.5	Confident	81.3	Confident	47 Å²	47	62.7 Å²	62.7	21%	0.206	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	141.6	-173.7	-56.7	-96.7	0	0	0	109.4	I845 E852 H853 L859 V864 Y866	I845-F857 HydrophobicContact CD1-CB 3.86Å; I845-F857 HydrophobicContact CD1-CD2 3.83Å; I845-F857 HydrophobicContact CD1-CG 3.96Å; I845-F857 HydrophobicContact CG1-CB 3.99Å; I845-F857 HydrophobicContact CG1-CD1 4.41Å; I845-F857 HydrophobicContact CG1-CD2 4.18Å; I845-F857 HydrophobicContact CG1-CG 3.95Å; I845-F857 HydrophobicContact CG2-CE2 4.48Å; E852-F857 HydrophobicContact CB-CE1 4.09Å; E852-F857 HydrophobicContact CB-CZ 3.83Å; E852-F857 HydrophobicContact CG-CE1 4.13Å; E852-F857 HydrophobicContact CG-CZ 4.37Å; H853-F857 WeakPolarHBondContact O-CZ 3.04Å; F857-L859 HydrophobicContact CB-CD1 3.56Å; F857-V864 PolarHBondContact N-O 2.04Å; F857-V864 PolarHBondContact O-N 2.95Å; F857-Y866 HydrophobicContact CE2-CD1 4.19Å
858	N	84	Confident	82	Confident	106 Å²	106	65 Å²	65	57%	0.567	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	114.2	177.6	-67.3	-33.3	0	0	0	109.8	Q843 T863	Q843-N858 PolarHBondContact OE1-O 3.24Å; N858-T863 WeakPolarHBondContact OD1-CB 3.2Å; N858-T863 PolarHBondContact OD1-OG1 2.94Å
859	L	83.1	Confident	82.5	Confident	4 Å²	4	68.8 Å²	68.8	2%	0.021	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	145.5	178.8	-73.2	82.5	0	0	0	109.4	L837 Q843 I845 F857 G861 T862 V864 L885	L837-L859 HydrophobicContact CD2-CD2 4.47Å; Q843-L859 HydrophobicContact CB-CG 4.22Å; I845-L859 HydrophobicContact CD1-CD1 3.96Å; I845-L859 HydrophobicContact CG1-CD1 3.69Å; I845-L859 HydrophobicContact CG1-CD2 4.12Å; F857-L859 HydrophobicContact CB-CD1 3.56Å; L859-G861 PolarHBondContact O-N 2.86Å; L859-G861 VanDerWaalsContact O-N 3.1Å; L859-T862 PolarHBondContact N-O 3.12Å; L859-T862 VanDerWaalsContact N-O 3.07Å; L859-T862 PolarHBondContact O-N 3.11Å; L859-V864 HydrophobicContact CB-CG2 4.24Å; L859-V864 HydrophobicContact CD1-CG2 4.5Å; L859-L885 HydrophobicContact CB-CD2 3.98Å; L859-L885 HydrophobicContact CD2-CD2 4.42Å
860	A	82.8	Confident	83	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	46	42.5	178.9	0	0	0	0	0	113.6	D839 T862 T881 T882 A883 L885	D839-A860 WeakPolarHBondContact OD2-CA 3.31Å; D839-A860 PolarHBondContact OD2-N 3.24Å; A860-T862 VanDerWaalsContact C-N 3.25Å; A860-T862 PolarHBondContact O-N 2.03Å; A860-T881 HydrophobicContact CB-CG2 4.42Å; A860-T881 CarbonylContact O-C 3.59Å; A860-T881 WeakPolarHBondContact O-CA 3.18Å; A860-T882 PolarHBondContact O-N 2.82Å; A860-T882 PolarHBondContact O-OG1 2.95Å; A860-A883 HydrophobicContact CB-CB 3.94Å; A860-A883 WeakPolarHBondContact CB-O 3.34Å; A860-L885 HydrophobicContact CB-CD1 4.11Å; A860-L885 HydrophobicContact CB-CD2 3.47Å; A860-L885 VanDerWaalsContact CB-CD2 3.47Å; A860-L885 HydrophobicContact CB-CG 3.58Å
861	G	76.4	Confident	83	Confident	64 Å²	64	59.8 Å²	59.8	66%	0.66	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	12.1	178.9	0	0	0	0	0	116.1	L859 T882	L859-G861 PolarHBondContact O-N 2.86Å; L859-G861 VanDerWaalsContact O-N 3.1Å; G861-T882 WeakPolarHBondContact CA-OG1 3.42Å; G861-T882 PolarHBondContact N-OG1 2.97Å
862	T	85.5	Confident	83.1	Confident	16 Å²	16	59.7 Å²	59.7	10%	0.098	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	153.5	177.9	-160	0	0	0	0	112	L859 A860 V864 A877 G879 T881	L859-T862 PolarHBondContact N-O 3.12Å; L859-T862 VanDerWaalsContact N-O 3.07Å; L859-T862 PolarHBondContact O-N 3.11Å; A860-T862 VanDerWaalsContact C-N 3.25Å; A860-T862 PolarHBondContact O-N 2.03Å; T862-V864 HydrophobicContact CG2-CG2 4.36Å; T862-A877 HydrophobicContact CG2-CB 3.94Å; T862-G879 WeakPolarHBondContact OG1-CA 3.43Å; T862-G879 PolarHBondContact OG1-N 3.49Å; T862-G879 VanDerWaalsContact OG1-N 3.11Å; T862-T881 HydrophobicContact CG2-CG2 4.1Å
863	T	86.1	Confident	83.3	Confident	58 Å²	58	57.5 Å²	57.5	36%	0.356	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	121.1	174.4	-53.9	0	0	0	0	110.2	A856 N858 A877	A856-T863 HydrophobicContact CB-CG2 3.99Å; N858-T863 WeakPolarHBondContact OD1-CB 3.2Å; N858-T863 PolarHBondContact OD1-OG1 2.94Å; T863-A877 WeakPolarHBondContact O-CB 3.3Å
864	V	88	Confident	83.7	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	117.5	179.3	-175.2	0	0	0	0	108.6	L837 I845 A856 F857 L859 T862 I875 A877	L837-V864 HydrophobicContact CD2-CG1 3.77Å; L837-V864 HydrophobicContact CD2-CG2 4.05Å; I845-V864 HydrophobicContact CD1-CB 4.04Å; I845-V864 HydrophobicContact CD1-CG1 3.65Å; A856-V864 WeakPolarHBondContact CA-O 3.37Å; F857-V864 PolarHBondContact N-O 2.04Å; F857-V864 PolarHBondContact O-N 2.95Å; L859-V864 HydrophobicContact CB-CG2 4.24Å; L859-V864 HydrophobicContact CD1-CG2 4.5Å; T862-V864 HydrophobicContact CG2-CG2 4.36Å; V864-I875 HydrophobicContact CG1-CG2 3.57Å; V864-A877 HydrophobicContact CB-CB 4.45Å; V864-A877 HydrophobicContact CG2-CB 4.06Å
865	H	85.8	Confident	83.9	Confident	89 Å²	89	49.9 Å²	49.9	41%	0.412	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	115.7	171.2	-57.7	-75	0	0	0	109.5	G855 I875 S876	G855-H865 WeakPolarHBondContact O-CA 3.48Å; H865-I875 CarbonylContact O-C 3.57Å; H865-I875 WeakPolarHBondContact O-CA 3.05Å; H865-S876 PolarHBondContact N-O 2.89Å; H865-S876 PolarHBondContact O-N 3.39Å
866	Y	90.5	Very high	84.4	Confident	1 Å²	1	49.6 Å²	49.6	0%	0.004	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	127.6	171.9	164.6	-115.6	0	0	0	109.1	I845 N846 E852 S854 G855 F857 E873 K874 I875	I845-Y866 HydrophobicContact CG2-CD1 4.19Å; I845-Y866 HydrophobicContact CG2-CG 4.2Å; N846-Y866 PolarHBondContact ND2-OH 3.46Å; N846-Y866 VanDerWaalsContact ND2-OH 3.15Å; E852-Y866 WeakPolarHBondContact O-CE1 3.39Å; S854-Y866 CarbonylContact C-O 3.58Å; S854-Y866 WeakPolarHBondContact CA-O 3.13Å; G855-Y866 PolarHBondContact N-O 2.73Å; G855-Y866 PolarHBondContact O-N 3.38Å; F857-Y866 HydrophobicContact CE2-CD1 4.19Å; Y866-E873 HydrophobicContact CE2-CB 4.39Å; Y866-E873 HydrophobicContact CE2-CG 4.12Å; Y866-E873 WeakPolarHBondContact CE2-OE2 3.5Å; Y866-K874 WeakPolarHBondContact CA-O 3Å; Y866-I875 HydrophobicContact CD2-CG1 3.92Å
867	V	87.1	Confident	84.7	Confident	49 Å²	49	46.9 Å²	46.9	30%	0.297	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	112.9	-177.1	180	0	0	0	0	109.1	R869 K874	V867-R869 HydrophobicContact CG1-CG 4.31Å; V867-K874 PolarHBondContact N-O 2.78Å; V867-K874 PolarHBondContact O-N 2.96Å
868	R	82.9	Confident	84.7	Confident	58 Å²	58	50.6 Å²	50.6	22%	0.219	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	135.6	167.4	-177.4	176.1	-118.4	-131.1	-5.6	110.3	S833 Y834 S854 G870 W872 E873	S833-R868 PolarHBondContact O-NH2 3.05Å; Y834-R868 VanDerWaalsContact CE1-NH1 3.27Å; Y834-R868 PolarHBondContact OH-NH1 3.32Å; Y834-R868 VanDerWaalsContact OH-NH1 3.17Å; S854-R868 PolarHBondContact OG-N 2.92Å; S854-R868 PolarHBondContact OG-O 3.28Å; R868-G870 VanDerWaalsContact CG-O 3.29Å; R868-G870 WeakPolarHBondContact CG-O 3.34Å; R868-W872 CarbonylContact C-O 3.29Å; R868-W872 WeakPolarHBondContact CA-O 2.99Å; R868-E873 HydrophobicContact CB-CG 4.09Å; R868-E873 HydrophobicContact CG-CG 3.95Å; R868-E873 IonicContact CZ-OE1 3.57Å; R868-E873 IonicContact NE-OE1 2.71Å; R868-E873 PolarHBondContact NE-OE1 3.41Å; R868-E873 IonicContact NH2-OE1 2.68Å; R868-E873 PolarHBondContact NH2-OE1 3.19Å
869	R	81.4	Confident	84.4	Confident	194 Å²	194	46.3 Å²	46.3	73%	0.732	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.4	97.8	171.8	-71.3	-175.2	171.8	-165.5	-4.4	109.1	V867 L871 W872	V867-R869 HydrophobicContact CG1-CG 4.31Å; R869-L871 PolarHBondContact O-N 2.94Å; R869-W872 HydrophobicContact CB-CE3 4.3Å; R869-W872 PolarHBondContact N-O 3.38Å; R869-W872 PolarHBondContact O-N 3.29Å; R869-W872 VanDerWaalsContact O-N 3.14Å
870	G	80.1	Confident	84.5	Confident	60 Å²	60	49.1 Å²	49.1	62%	0.619	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	-121.4	-168.7	0	0	0	0	0	110.5	R868	R868-G870 VanDerWaalsContact CG-O 3.29Å; R868-G870 WeakPolarHBondContact CG-O 3.34Å
871	L	74.7	Confident	84.7	Confident	62 Å²	62	49.4 Å²	49.4	33%	0.325	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	8.9	176.5	-62.9	176.7	0	0	0	113.6	P830 A831 H832 R869	P830-L871 CarbonylContact C-O 3.45Å; P830-L871 WeakPolarHBondContact CA-O 3.45Å; P830-L871 HydrophobicContact CB-CB 3.7Å; A831-L871 PolarHBondContact N-O 2.86Å; H832-L871 VanDerWaalsContact CE1-CD1 3.46Å; H832-L871 WeakPolarHBondContact CE1-CD1 3.48Å; R869-L871 PolarHBondContact O-N 2.94Å
872	W	84	Confident	85	Confident	74 Å²	74	51.4 Å²	51.4	28%	0.28	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	127.2	179.6	178.9	82.2	0	0	0	111.3	V826 E827 P830 R868 R869 K874	V826-W872 HydrophobicContact CG1-CZ2 3.7Å; E827-W872 VanDerWaalsContact O-CD1 3.32Å; E827-W872 PolarHBondContact O-NE1 3.27Å; P830-W872 HydrophobicContact CB-CB 4.28Å; P830-W872 HydrophobicContact CG-CB 4.35Å; R868-W872 CarbonylContact C-O 3.29Å; R868-W872 WeakPolarHBondContact CA-O 2.99Å; R869-W872 HydrophobicContact CB-CE3 4.3Å; R869-W872 PolarHBondContact N-O 3.38Å; R869-W872 PolarHBondContact O-N 3.29Å; R869-W872 VanDerWaalsContact O-N 3.14Å; W872-K874 HydrophobicContact CH2-CB 3.61Å; W872-K874 HydrophobicContact CH2-CD 3.9Å; W872-K874 HydrophobicContact CH2-CG 4.37Å; W872-K874 HydrophobicContact CZ2-CB 4.16Å; W872-K874 HydrophobicContact CZ3-CB 3.87Å
873	E	86.4	Confident	84.9	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	146.1	-179	-68.6	-177.1	-157.6	0	0	115	E827 Y834 L835 Y866 R868	E827-E873 PolarHBondContact N-O 3.39Å; E827-E873 VanDerWaalsContact N-O 3.07Å; E827-E873 PolarHBondContact OE2-N 2.86Å; Y834-E873 WeakPolarHBondContact CD1-OE1 3.46Å; L835-E873 WeakPolarHBondContact CB-OE2 3.17Å; L835-E873 HydrophobicContact CD1-CB 3.72Å; L835-E873 HydrophobicContact CG-CB 3.86Å; L835-E873 PolarHBondContact N-OE2 3.14Å; Y866-E873 HydrophobicContact CE2-CB 4.39Å; Y866-E873 HydrophobicContact CE2-CG 4.12Å; Y866-E873 WeakPolarHBondContact CE2-OE2 3.5Å; R868-E873 HydrophobicContact CB-CG 4.09Å; R868-E873 HydrophobicContact CG-CG 3.95Å; R868-E873 IonicContact CZ-OE1 3.57Å; R868-E873 IonicContact NE-OE1 2.71Å; R868-E873 PolarHBondContact NE-OE1 3.41Å; R868-E873 IonicContact NH2-OE1 2.68Å; R868-E873 PolarHBondContact NH2-OE1 3.19Å
874	K	88.2	Confident	84.9	Confident	69 Å²	69	51.1 Å²	51.1	30%	0.3	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	135.1	174.1	168.2	179.3	171.9	-163.5	0	110.8	V825 V826 Y866 V867 W872 S876	V825-K874 WeakPolarHBondContact O-CA 3.2Å; V826-K874 HydrophobicContact CG2-CB 4.26Å; V826-K874 HydrophobicContact CG2-CD 4.12Å; V826-K874 HydrophobicContact CG2-CG 3.89Å; Y866-K874 WeakPolarHBondContact CA-O 3Å; V867-K874 PolarHBondContact N-O 2.78Å; V867-K874 PolarHBondContact O-N 2.96Å; W872-K874 HydrophobicContact CH2-CB 3.61Å; W872-K874 HydrophobicContact CH2-CD 3.9Å; W872-K874 HydrophobicContact CH2-CG 4.37Å; W872-K874 HydrophobicContact CZ2-CB 4.16Å; W872-K874 HydrophobicContact CZ3-CB 3.87Å; K874-S876 WeakPolarHBondContact CE-OG 3.32Å
875	I	89.9	Confident	85	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	136.9	166.9	-67.5	176.1	0	0	0	108.4	V825 L835 L837 V864 H865 Y866 L887	V825-I875 HydrophobicContact CB-CB 4.24Å; V825-I875 PolarHBondContact N-O 2.96Å; V825-I875 PolarHBondContact O-N 3.41Å; V825-I875 VanDerWaalsContact O-O 3.08Å; L835-I875 HydrophobicContact CB-CD1 3.76Å; L835-I875 HydrophobicContact CB-CG1 4.38Å; L837-I875 HydrophobicContact CB-CD1 4.33Å; L837-I875 HydrophobicContact CD2-CG2 4.2Å; V864-I875 HydrophobicContact CG1-CG2 3.57Å; H865-I875 CarbonylContact O-C 3.57Å; H865-I875 WeakPolarHBondContact O-CA 3.05Å; Y866-I875 HydrophobicContact CD2-CG1 3.92Å; I875-L887 HydrophobicContact CD1-CD1 4.49Å
876	S	89.9	Confident	85.1	Confident	26 Å²	26	48.9 Å²	48.9	18%	0.182	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	137.6	172.5	48.6	0	0	0	0	113.5	I823 H865 K874	I823-S876 CarbonylContact O-C 3.53Å; I823-S876 WeakPolarHBondContact O-CA 3.01Å; H865-S876 PolarHBondContact N-O 2.89Å; H865-S876 PolarHBondContact O-N 3.39Å; K874-S876 WeakPolarHBondContact CE-OG 3.32Å
877	A	87.6	Confident	85	Confident	7 Å²	7	48.9 Å²	48.9	6%	0.058	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	145	-179.8	0	0	0	0	0	111	R822 I823 T862 T863 V864	R822-A877 CarbonylContact C-O 3.55Å; I823-A877 HydrophobicContact CB-CB 4.31Å; I823-A877 PolarHBondContact N-O 2.67Å; I823-A877 PolarHBondContact O-N 2.93Å; T862-A877 HydrophobicContact CG2-CB 3.94Å; T863-A877 WeakPolarHBondContact O-CB 3.3Å; V864-A877 HydrophobicContact CB-CB 4.45Å; V864-A877 HydrophobicContact CG2-CB 4.06Å
878	K	83.8	Confident	85.1	Confident	124 Å²	124	47 Å²	47	54%	0.539	25%	0.25	S	C	.	.			trans	-73.6	-35.9	179.5	-69.3	-171.2	-179.7	-176.5	0	112.7	R821 R822	R821-K878 CarbonylContact C-O 3.57Å; R821-K878 VanDerWaalsContact CA-O 3.3Å; R821-K878 WeakPolarHBondContact CA-O 3.39Å; R822-K878 PolarHBondContact N-O 3.4Å
879	G	78.2	Confident	85.2	Confident	17 Å²	17	44.2 Å²	44.2	18%	0.175	24%	0.24	C	C	.	.			trans	71.1	-171.8	-167.8	0	0	0	0	0	112.6	T862	T862-G879 WeakPolarHBondContact OG1-CA 3.43Å; T862-G879 PolarHBondContact OG1-N 3.49Å; T862-G879 VanDerWaalsContact OG1-N 3.11Å
880	P	86	Confident	85.3	Confident	63 Å²	63	35.2 Å²	35.2	41%	0.409	21%	0.206	S	C	.	.			cis	-69.7	144.8	-1.4	31.7	-33	0	0	0	111.4	A820 R821	A820-P880 WeakPolarHBondContact O-CA 3.35Å; R821-P880 HydrophobicContact CG-CB 4.01Å
881	T	85.7	Confident	85.2	Confident	5 Å²	5	32.4 Å²	32.4	3%	0.031	18%	0.177	C	C	.	.			trans	-71.5	137.9	170.1	46.5	0	0	0	0	110.9	P817 A818 G819 A820 I823 A860 T862 A883 L885	P817-T881 PolarHBondContact O-OG1 2.03Å; A818-T881 WeakPolarHBondContact CA-OG1 3.41Å; G819-T881 PolarHBondContact N-O 2.61Å; G819-T881 PolarHBondContact N-OG1 2.99Å; A820-T881 PolarHBondContact N-OG1 3.07Å; A820-T881 PolarHBondContact O-N 2.87Å; A820-T881 VanDerWaalsContact O-N 3.09Å; I823-T881 HydrophobicContact CD1-CG2 3.62Å; A860-T881 HydrophobicContact CB-CG2 4.42Å; A860-T881 CarbonylContact O-C 3.59Å; A860-T881 WeakPolarHBondContact O-CA 3.18Å; T862-T881 HydrophobicContact CG2-CG2 4.1Å; T881-A883 WeakPolarHBondContact CB-O 3.46Å; T881-L885 HydrophobicContact CG2-CD1 3.63Å; T881-L885 HydrophobicContact CG2-CG 4.27Å
882	T	84.2	Confident	85	Confident	106 Å²	106	34.7 Å²	34.7	65%	0.65	18%	0.184	S	C	*	.	S	Bend	trans	-88.4	-22.1	173.5	59.1	0	0	0	0	112.7	A860 G861	A860-T882 PolarHBondContact O-N 2.82Å; A860-T882 PolarHBondContact O-OG1 2.95Å; G861-T882 WeakPolarHBondContact CA-OG1 3.42Å; G861-T882 PolarHBondContact N-OG1 2.97Å
883	A	83.1	Confident	84.1	Confident	19 Å²	19	36.9 Å²	36.9	16%	0.157	20%	0.198	C	C	.	.	S	Bend	trans	-132.5	161.2	179.9	0	0	0	0	0	110.7	D839 A860 T881	D839-A883 VanDerWaalsContact OD1-CB 3.31Å; D839-A883 WeakPolarHBondContact OD1-CB 3.44Å; A860-A883 HydrophobicContact CB-CB 3.94Å; A860-A883 WeakPolarHBondContact CB-O 3.34Å; T881-A883 WeakPolarHBondContact CB-O 3.46Å
884	P	85.7	Confident	82.6	Confident	50 Å²	50	42 Å²	42	33%	0.325	23%	0.225	S	C	.	.			trans	-69	135.1	173.3	28	-33.8	0	0	0	111.6	V815 I816	V815-P884 HydrophobicContact CG1-CB 3.65Å; I816-P884 CarbonylContact O-C 3.32Å; I816-P884 VanDerWaalsContact O-CA 3.27Å; I816-P884 WeakPolarHBondContact O-CA 3.5Å
885	L	89.1	Confident	81.3	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	120.4	175.5	-72.9	170.6	0	0	0	110.3	I816 I823 L837 D839 L859 A860 T881 L887	I816-L885 HydrophobicContact CB-CB 4.29Å; I816-L885 PolarHBondContact N-O 2.84Å; I816-L885 PolarHBondContact O-N 2.72Å; I823-L885 HydrophobicContact CD1-CD1 4.35Å; L837-L885 HydrophobicContact CD1-CB 4.18Å; L837-L885 HydrophobicContact CD2-CD1 4.26Å; L837-L885 HydrophobicContact CD2-CD2 4.34Å; L837-L885 HydrophobicContact CG-CD2 4.26Å; D839-L885 HydrophobicContact CB-CD2 4.24Å; L859-L885 HydrophobicContact CB-CD2 3.98Å; L859-L885 HydrophobicContact CD2-CD2 4.42Å; A860-L885 HydrophobicContact CB-CD1 4.11Å; A860-L885 HydrophobicContact CB-CD2 3.47Å; A860-L885 VanDerWaalsContact CB-CD2 3.47Å; A860-L885 HydrophobicContact CB-CG 3.58Å; T881-L885 HydrophobicContact CG2-CD1 3.63Å; T881-L885 HydrophobicContact CG2-CG 4.27Å; L885-L887 PolarHBondContact O-N 3.18Å
886	H	88.6	Confident	79.8	Confident	41 Å²	41	46.7 Å²	46.7	19%	0.19	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	112	173.4	-64.4	-106	0	0	0	108.9	E812 L837 R838	E812-H886 IonicContact OE1-ND1 2.69Å; E812-H886 IonicContact OE2-CE1 2.85Å; E812-H886 IonicContact OE2-CG 2.89Å; E812-H886 IonicContact OE2-ND1 3.9Å; E812-H886 PolarHBondContact OE2-ND1 3.14Å; L837-H886 WeakPolarHBondContact CA-O 3.45Å; R838-H886 HydrophobicContact CB-CB 4.36Å; R838-H886 PolarHBondContact N-O 3.01Å; R838-H886 WeakPolarHBondContact O-CB 3.5Å; R838-H886 PolarHBondContact O-N 3.4Å
887	L	89.1	Confident	78.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	129.2	171.9	-179.1	66.3	0	0	0	109.1	V813 L814 V825 L837 I875 L885 L899	V813-L887 HydrophobicContact CB-CB 4.22Å; V813-L887 HydrophobicContact CB-CD2 3.96Å; V813-L887 HydrophobicContact CB-CG 3.93Å; V813-L887 HydrophobicContact CG1-CD2 3.91Å; V813-L887 HydrophobicContact CG1-CG 4.42Å; V813-L887 HydrophobicContact CG2-CD2 4.33Å; V813-L887 HydrophobicContact CG2-CG 4.01Å; V813-L887 PolarHBondContact N-O 2.99Å; L814-L887 HydrophobicContact CD2-CB 4.45Å; L814-L887 HydrophobicContact CD2-CD2 3.75Å; L814-L887 PolarHBondContact O-N 3.44Å; V825-L887 HydrophobicContact CB-CD2 4.46Å; V825-L887 HydrophobicContact CG1-CD1 4.16Å; V825-L887 HydrophobicContact CG1-CD2 3.82Å; V825-L887 HydrophobicContact CG2-CD1 4.28Å; V825-L887 HydrophobicContact CG2-CD2 3.78Å; L837-L887 HydrophobicContact CD1-CB 4.26Å; L837-L887 HydrophobicContact CD1-CD1 3.99Å; I875-L887 HydrophobicContact CD1-CD1 4.49Å; L885-L887 PolarHBondContact O-N 3.18Å; L887-L899 HydrophobicContact CD2-CD2 4.39Å
888	L	87.5	Confident	77.9	Confident	9 Å²	9	45.7 Å²	45.7	5%	0.047	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	154.4	-172.8	-66.8	150.4	0	0	0	109.1	Y810 V811 E812 A836 R838	Y810-L888 HydrophobicContact CD1-CB 4.5Å; V811-L888 CarbonylContact O-C 3.6Å; V811-L888 VanDerWaalsContact O-CA 3.26Å; V811-L888 WeakPolarHBondContact O-CA 2.98Å; E812-L888 HydrophobicContact CB-CD2 3.89Å; E812-L888 HydrophobicContact CG-CD2 4.27Å; A836-L888 HydrophobicContact CB-CB 3.87Å; A836-L888 PolarHBondContact N-O 3.04Å; A836-L888 PolarHBondContact O-N 2.8Å; A836-L888 VanDerWaalsContact O-O 3.05Å; R838-L888 HydrophobicContact CB-CD1 3.97Å
889	V	86.6	Confident	77.9	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	132.3	164.3	-165.5	0	0	0	0	109.3	F802 Y810 V811 V813 Y834 L835 L891 L899	F802-V889 HydrophobicContact CE1-CG2 4.26Å; Y810-V889 WeakPolarHBondContact CA-O 3.38Å; V811-V889 PolarHBondContact N-O 2.94Å; V811-V889 PolarHBondContact O-N 2.89Å; V813-V889 HydrophobicContact CG2-CG2 3.59Å; Y834-V889 WeakPolarHBondContact O-CA 3.33Å; L835-V889 HydrophobicContact CD2-CG1 4.29Å; L835-V889 HydrophobicContact CD2-CG2 3.97Å; V889-L891 HydrophobicContact CB-CD2 3.94Å; V889-L891 HydrophobicContact CG1-CD2 3.58Å; V889-L899 HydrophobicContact CG2-CD2 3.67Å
890	L	83.4	Confident	78.3	Confident	4 Å²	4	40.6 Å²	40.6	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	112.8	169.1	-179	54.5	0	0	0	109.5	Y810 Y834 W849 F892	Y810-L890 HydrophobicContact CD1-CB 3.97Å; Y810-L890 HydrophobicContact CD1-CD1 4.33Å; Y810-L890 HydrophobicContact CD2-CD1 4.22Å; Y810-L890 HydrophobicContact CE1-CB 3.75Å; Y810-L890 HydrophobicContact CE1-CD1 4.23Å; Y810-L890 HydrophobicContact CE1-CD2 4.24Å; Y810-L890 HydrophobicContact CE1-CG 4.29Å; Y810-L890 HydrophobicContact CE2-CD1 4.1Å; Y810-L890 HydrophobicContact CG-CD1 4.34Å; Y834-L890 HydrophobicContact CD2-CD2 4.16Å; Y834-L890 PolarHBondContact N-O 3.1Å; Y834-L890 PolarHBondContact O-N 2.96Å; W849-L890 HydrophobicContact CZ3-CD1 4.15Å; L890-F892 HydrophobicContact CD2-CE1 4.14Å; L890-F892 HydrophobicContact CD2-CE2 4.12Å; L890-F892 HydrophobicContact CD2-CZ 3.52Å; L890-F892 HydrophobicContact CG-CE1 4.28Å; L890-F892 HydrophobicContact CG-CE2 3.94Å; L890-F892 HydrophobicContact CG-CZ 3.75Å
891	L	77.4	Confident	78.4	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	131.2	178.8	-51.2	-171.8	0	0	0	110.3	G807 G809 V811 V889 Y897	G807-L891 VanDerWaalsContact O-CB 3.25Å; G807-L891 WeakPolarHBondContact O-CB 3.42Å; G809-L891 PolarHBondContact N-O 3.36Å; G809-L891 PolarHBondContact O-N 3.21Å; V811-L891 HydrophobicContact CB-CD1 4.36Å; V811-L891 HydrophobicContact CG2-CD1 3.69Å; V811-L891 HydrophobicContact CG2-CG 4.11Å; V889-L891 HydrophobicContact CB-CD2 3.94Å; V889-L891 HydrophobicContact CG1-CD2 3.58Å; L891-Y897 HydrophobicContact CD1-CE2 4.47Å; L891-Y897 HydrophobicContact CD2-CD1 4.47Å; L891-Y897 HydrophobicContact CD2-CD2 3.72Å; L891-Y897 HydrophobicContact CD2-CE1 4.38Å; L891-Y897 HydrophobicContact CD2-CE2 3.62Å; L891-Y897 HydrophobicContact CD2-CG 4.15Å; L891-Y897 HydrophobicContact CG-CE2 4.47Å
892	F	70.1	Confident	78.6	Confident	109 Å²	109	40.7 Å²	40.7	48%	0.478	21%	0.21	S	C	.	.	S	Bend	trans	-109.3	-18.7	174.3	-53.9	-92.9	0	0	0	113.2	H832 Y834 L890	H832-F892 VanDerWaalsContact O-CD2 3.3Å; H832-F892 WeakPolarHBondContact O-CD2 3.21Å; Y834-F892 AromaticContact CD2-CE2 3.62Å; Y834-F892 HydrophobicContact CD2-CE2 3.62Å; Y834-F892 AromaticContact CD2-CZ 3.88Å; Y834-F892 HydrophobicContact CD2-CZ 3.88Å; Y834-F892 AromaticContact CE2-CE2 3.64Å; Y834-F892 HydrophobicContact CE2-CE2 3.64Å; Y834-F892 AromaticContact CE2-CZ 3.79Å; Y834-F892 HydrophobicContact CE2-CZ 3.79Å; L890-F892 HydrophobicContact CD2-CE1 4.14Å; L890-F892 HydrophobicContact CD2-CE2 4.12Å; L890-F892 HydrophobicContact CD2-CZ 3.52Å; L890-F892 HydrophobicContact CG-CE1 4.28Å; L890-F892 HydrophobicContact CG-CE2 3.94Å; L890-F892 HydrophobicContact CG-CZ 3.75Å
893	Q	64.9	Low	78.9	Confident	121 Å²	121	36.8 Å²	36.8	57%	0.565	18%	0.184	S	C	*	.	S	Bend	trans	-148.3	161.2	-176.4	-66	-173.6	-7.9	0	0	110	Q895 Y897	Q893-Q895 PolarHBondContact O-N 3.06Å; Q893-Q895 VanDerWaalsContact O-N 3.1Å; Q893-Y897 PolarHBondContact O-OH 3.16Å
894	D	55.9	Low	79	Confident	107 Å²	107	35.9 Å²	35.9	57%	0.572	18%	0.176	S	C	*	.	S	Bend	trans	-81.7	85.3	175.6	-74	-8	0	0	0	110.4	T805 R806 G807	T805-D894 WeakPolarHBondContact O-CB 3.45Å; R806-D894 WeakPolarHBondContact CA-OD1 3.17Å; G807-D894 PolarHBondContact N-OD1 3.39Å
895	Q	59.8	Low	78.8	Confident	76 Å²	76	35.9 Å²	35.9	36%	0.355	17%	0.173	S	C	.	.			trans	-117.6	175	171	-63	-171.6	-4.1	0	0	111.4	T805 Q893 Y897	T805-Q895 WeakPolarHBondContact CA-O 3.31Å; Q893-Q895 PolarHBondContact O-N 3.06Å; Q893-Q895 VanDerWaalsContact O-N 3.1Å; Q895-Y897 HydrophobicContact CB-CD2 4.49Å; Q895-Y897 HydrophobicContact CB-CE1 4.34Å; Q895-Y897 HydrophobicContact CB-CE2 3.86Å; Q895-Y897 VanDerWaalsContact O-CD2 3.23Å; Q895-Y897 WeakPolarHBondContact O-CD2 3.45Å; Q895-Y897 WeakPolarHBondContact O-CE2 3.47Å
896	N	58.6	Low	78.2	Confident	93 Å²	93	39.9 Å²	39.9	50%	0.497	20%	0.199	S	C	.	.			trans	-104.3	108.1	175.3	-175	25.7	0	0	0	111.1	N803 T805	N803-N896 WeakPolarHBondContact CA-OD1 3.21Å; N803-N896 VanDerWaalsContact CB-OD1 3.32Å; N803-N896 WeakPolarHBondContact CB-OD1 3.34Å; N803-N896 PolarHBondContact OD1-OD1 3Å; N803-N896 VanDerWaalsContact OD1-OD1 3.09Å; T805-N896 HydrophobicContact CG2-CB 4.08Å
897	Y	66.3	Low	77.2	Confident	5 Å²	5	39.1 Å²	39.1	2%	0.02	20%	0.198	C	C	.	.			trans	-89.3	-8.6	-160.6	-71.6	-79.4	0	0	0	116.2	A831 S833 L891 Q893 Q895 L899	A831-Y897 HydrophobicContact CB-CD1 3.65Å; A831-Y897 HydrophobicContact CB-CE1 3.93Å; S833-Y897 WeakPolarHBondContact OG-CD1 3.41Å; S833-Y897 WeakPolarHBondContact OG-CE1 3.21Å; L891-Y897 HydrophobicContact CD1-CE2 4.47Å; L891-Y897 HydrophobicContact CD2-CD1 4.47Å; L891-Y897 HydrophobicContact CD2-CD2 3.72Å; L891-Y897 HydrophobicContact CD2-CE1 4.38Å; L891-Y897 HydrophobicContact CD2-CE2 3.62Å; L891-Y897 HydrophobicContact CD2-CG 4.15Å; L891-Y897 HydrophobicContact CG-CE2 4.47Å; Q893-Y897 PolarHBondContact O-OH 3.16Å; Q895-Y897 HydrophobicContact CB-CD2 4.49Å; Q895-Y897 HydrophobicContact CB-CE1 4.34Å; Q895-Y897 HydrophobicContact CB-CE2 3.86Å; Q895-Y897 VanDerWaalsContact O-CD2 3.23Å; Q895-Y897 WeakPolarHBondContact O-CD2 3.45Å; Q895-Y897 WeakPolarHBondContact O-CE2 3.47Å; Y897-L899 PolarHBondContact O-N 3.07Å
898	G	72.8	Confident	75.7	Confident	6 Å²	6	46.7 Å²	46.7	6%	0.062	24%	0.239	C	C	.	.			trans	56.6	47.4	164.2	0	0	0	0	0	115.2	N803 E828	N803-G898 VanDerWaalsContact OD1-CA 3.26Å; N803-G898 WeakPolarHBondContact OD1-CA 3.41Å; N803-G898 PolarHBondContact OD1-N 2.96Å; E828-G898 WeakPolarHBondContact CB-O 3.44Å; E828-G898 WeakPolarHBondContact CG-O 3Å; E828-G898 PolarHBondContact N-O 3.37Å
899	L	83.2	Confident	73.5	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	105.3	-171.2	-175.8	63.6	0	0	0	112.5	D801 F802 V813 V825 E827 L835 L887 V889 Y897	D801-L899 WeakPolarHBondContact CA-O 3.26Å; F802-L899 HydrophobicContact CB-CB 4.2Å; F802-L899 HydrophobicContact CD1-CB 4.39Å; F802-L899 HydrophobicContact CD1-CD2 4.39Å; F802-L899 PolarHBondContact N-O 3.11Å; F802-L899 PolarHBondContact O-N 3.32Å; F802-L899 VanDerWaalsContact O-N 3.13Å; V813-L899 HydrophobicContact CG1-CD2 4.12Å; V813-L899 HydrophobicContact CG2-CD2 4.01Å; V825-L899 HydrophobicContact CG1-CD1 3.49Å; V825-L899 VanDerWaalsContact CG1-CD1 3.49Å; V825-L899 HydrophobicContact CG1-CD2 4.19Å; V825-L899 HydrophobicContact CG1-CG 3.96Å; E827-L899 HydrophobicContact CG-CD1 4.32Å; L835-L899 HydrophobicContact CD1-CD1 3.93Å; L835-L899 HydrophobicContact CD2-CD1 3.55Å; L835-L899 HydrophobicContact CD2-CD2 3.82Å; L835-L899 HydrophobicContact CD2-CG 4.32Å; L835-L899 HydrophobicContact CG-CD1 4.41Å; L887-L899 HydrophobicContact CD2-CD2 4.39Å; V889-L899 HydrophobicContact CG2-CD2 3.67Å; Y897-L899 PolarHBondContact O-N 3.07Å
900	H	86.6	Confident	71.2	Confident	34 Å²	34	59.8 Å²	59.8	16%	0.157	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	132.1	175.2	-175.5	77.4	0	0	0	111.5	D801 V825 V826 E828	D801-H900 IonicContact OD1-CE1 2.71Å; D801-H900 IonicContact OD1-CG 2.72Å; D801-H900 IonicContact OD1-ND1 3.13Å; D801-H900 PolarHBondContact OD1-ND1 3.26Å; V825-H900 WeakPolarHBondContact CA-O 3.4Å; V826-H900 PolarHBondContact N-O 3.46Å; V826-H900 PolarHBondContact O-N 3.35Å; E828-H900 HydrophobicContact CG-CB 4.25Å
901	Y	88.4	Confident	69.1	Low	47 Å²	47	65.6 Å²	65.6	18%	0.184	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.7	173.6	64.6	-92.9	0	0	0	113	K799 G800 L814 K824 Y903	K799-Y901 VanDerWaalsContact CA-O 3.25Å; K799-Y901 WeakPolarHBondContact CA-O 3.38Å; G800-Y901 PolarHBondContact N-O 3.38Å; G800-Y901 WeakPolarHBondContact O-CD1 3.14Å; G800-Y901 WeakPolarHBondContact O-CE1 3.2Å; G800-Y901 PolarHBondContact O-N 3.03Å; L814-Y901 HydrophobicContact CD1-CD2 4.25Å; L814-Y901 HydrophobicContact CD1-CE2 4.1Å; L814-Y901 HydrophobicContact CD2-CD1 3.73Å; L814-Y901 HydrophobicContact CD2-CD2 3.82Å; L814-Y901 HydrophobicContact CD2-CE1 3.79Å; L814-Y901 HydrophobicContact CD2-CE2 3.89Å; L814-Y901 HydrophobicContact CD2-CG 3.75Å; K824-Y901 CarbonylContact O-C 3.58Å; K824-Y901 WeakPolarHBondContact O-CA 3.3Å; Y901-Y903 HydrophobicContact CD2-CD1 4.25Å; Y901-Y903 HydrophobicContact CD2-CE1 4.02Å; Y901-Y903 HydrophobicContact CE2-CE1 4.2Å
902	E	89.4	Confident	67.1	Low	22 Å²	22	73.9 Å²	73.9	10%	0.103	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	131.1	177.7	171.5	172.9	-162.6	0	0	109.3	I797 I798 K799 I823 K824	I797-E902 HydrophobicContact CG2-CG 4.18Å; I798-E902 WeakPolarHBondContact O-CA 3.31Å; K799-E902 HydrophobicContact CD-CG 4.48Å; K799-E902 VanDerWaalsContact CE-CD 3.41Å; K799-E902 WeakPolarHBondContact CE-OE1 3.2Å; K799-E902 HydrophobicContact CG-CB 4.21Å; K799-E902 HydrophobicContact CG-CG 4.17Å; K799-E902 IonicContact NZ-OE1 3.64Å; K799-E902 PolarHBondContact NZ-OE1 3.38Å; K799-E902 IonicContact NZ-OE2 3.65Å; K799-E902 PolarHBondContact NZ-OE2 2.82Å; I823-E902 CarbonylContact C-O 3.54Å; K824-E902 PolarHBondContact N-O 2.81Å; K824-E902 IonicContact NZ-OE2 2.73Å; K824-E902 PolarHBondContact O-N 2.79Å
903	Y	89.6	Confident	65.6	Low	24 Å²	24	76 Å²	76	9%	0.094	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	166.6	170.3	63.2	-84.8	0	0	0	110.5	I798 L814 I816 P817 A820 Y901 I905	I798-Y903 HydrophobicContact CB-CD1 4.28Å; I798-Y903 HydrophobicContact CB-CD2 4.28Å; I798-Y903 HydrophobicContact CB-CE1 3.93Å; I798-Y903 HydrophobicContact CB-CE2 3.94Å; I798-Y903 HydrophobicContact CB-CG 4.45Å; I798-Y903 HydrophobicContact CG1-CD2 4.43Å; I798-Y903 HydrophobicContact CG1-CE2 3.92Å; I798-Y903 HydrophobicContact CG2-CD1 4.48Å; I798-Y903 HydrophobicContact CG2-CE1 3.74Å; I798-Y903 HydrophobicContact CG2-CE2 4.33Å; I798-Y903 PolarHBondContact N-O 3.12Å; I798-Y903 PolarHBondContact O-N 3.16Å; I798-Y903 VanDerWaalsContact O-O 3.09Å; L814-Y903 HydrophobicContact CD1-CE1 3.55Å; I816-Y903 HydrophobicContact CG1-CD1 4.49Å; I816-Y903 HydrophobicContact CG1-CE1 4.44Å; I816-Y903 HydrophobicContact CG2-CD2 4.23Å; I816-Y903 HydrophobicContact CG2-CE2 4.43Å; I816-Y903 HydrophobicContact CG2-CG 4.36Å; P817-Y903 HydrophobicContact CG-CE2 4.23Å; A820-Y903 HydrophobicContact CB-CD2 3.99Å; Y901-Y903 HydrophobicContact CD2-CD1 4.25Å; Y901-Y903 HydrophobicContact CD2-CE1 4.02Å; Y901-Y903 HydrophobicContact CE2-CE1 4.2Å; Y903-I905 HydrophobicContact CD2-CG2 3.92Å; Y903-I905 HydrophobicContact CE2-CG2 3.73Å
904	T	85.6	Confident	64.3	Low	1 Å²	1	79.4 Å²	79.4	1%	0.006	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	141.5	179.4	67.7	0	0	0	0	111.9	H784 K796 I797 A820 R821	H784-T904 WeakPolarHBondContact O-CB 3.43Å; H784-T904 WeakPolarHBondContact O-CG2 3.5Å; H784-T904 PolarHBondContact O-OG1 2.94Å; K796-T904 VanDerWaalsContact O-CA 3.29Å; K796-T904 WeakPolarHBondContact O-CA 3.03Å; I797-T904 HydrophobicContact CB-CG2 4.21Å; I797-T904 HydrophobicContact CG1-CG2 3.9Å; I797-T904 HydrophobicContact CG2-CG2 4.16Å; A820-T904 CarbonylContact C-O 3.59Å; A820-T904 WeakPolarHBondContact CA-O 3.15Å; R821-T904 PolarHBondContact N-O 2.93Å; R821-T904 PolarHBondContact O-N 2.96Å; R821-T904 PolarHBondContact O-OG1 3.47Å
905	I	82.7	Confident	63.8	Low	50 Å²	50	80.3 Å²	80.3	26%	0.256	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	134.4	-179.8	57.6	175.8	0	0	0	110.3	C795 K796 I798 P817 A820 Y903	C795-I905 CarbonylContact C-O 3.45Å; C795-I905 WeakPolarHBondContact CA-O 3.4Å; C795-I905 WeakPolarHBondContact CB-O 3.4Å; K796-I905 HydrophobicContact CB-CG1 4.21Å; K796-I905 PolarHBondContact N-O 2.96Å; K796-I905 PolarHBondContact O-N 3.45Å; I798-I905 HydrophobicContact CD1-CD1 4.05Å; I798-I905 HydrophobicContact CD1-CG1 4.44Å; I798-I905 HydrophobicContact CG1-CD1 4.08Å; I798-I905 HydrophobicContact CG1-CG1 4.19Å; P817-I905 HydrophobicContact CG-CG2 3.92Å; A820-I905 HydrophobicContact CB-CG2 4.49Å; Y903-I905 HydrophobicContact CD2-CG2 3.92Å; Y903-I905 HydrophobicContact CE2-CG2 3.73Å
906	P	76.4	Confident	63.2	Low	84 Å²	84	81.6 Å²	81.6	55%	0.545	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	158	-179.8	-28.7	35.8	0	0	0	114.3	G819	G819-P906 VanDerWaalsContact O-CD 3.3Å; G819-P906 WeakPolarHBondContact O-CD 3.42Å
907	S	66.7	Low	62.1	Low	26 Å²	26	87 Å²	87	18%	0.182	48%	0.475	C	S	.	.			trans	-133.1	128.5	172.2	-71.2	0	0	0	0	109.4	S794 K796	S794-S907 PolarHBondContact O-N 3.49Å; K796-S907 VanDerWaalsContact CE-OG 3.29Å; K796-S907 WeakPolarHBondContact CE-OG 3.37Å; K796-S907 PolarHBondContact NZ-OG 3.32Å
908	D	57.9	Low	60.6	Low	159 Å²	159	90.9 Å²	90.9	85%	0.85	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-60.3	131.6	-169.8	-51.8	-64.5	0	0	0	112
909	P	41.3	Very low	59.2	Low	123 Å²	123	95.4 Å²	95.4	80%	0.799	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-75	139.4	-176.4	29.1	-34.1	0	0	0	112.6
910	L	38.8	Very low	57.4	Low	162 Å²	162	104.1 Å²	104.1	85%	0.848	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-89.2	133.9	173.7	-71.4	163.1	0	0	0	110.6
911	P	38.9	Very low	55.6	Low	125 Å²	125	104.4 Å²	104.4	81%	0.812	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-89.6	120.4	173.1	32.7	-31.4	0	0	0	112.6
912	E	36	Very low	54.1	Low	176 Å²	176	107.8 Å²	107.8	82%	0.822	60%	0.602	S	S	*	*			trans	-113.9	141.5	161.6	-63.5	177.7	154.3	0	0	106.9
913	N	37.7	Very low	53.3	Low	153 Å²	153	109.2 Å²	109.2	82%	0.818	61%	0.608	S	S	*	*	S	Bend	cis	-128.6	117.3	23.1	-82.7	-66.8	0	0	0	113.8
914	Q	36.8	Very low	52.4	Low	194 Å²	194	111.8 Å²	111.8	91%	0.907	62%	0.622	S	S	*	*			trans	-159.6	101.3	140.6	-122.4	173.1	86.1	0	0	110.4	S916	Q914-S916 PolarHBondContact O-N 3.31Å
915	S	45.3	Very low	51.9	Low	126 Å²	126	113.5 Å²	113.5	88%	0.881	63%	0.628	S	S	*	*			trans	-77.2	81.5	-176.5	172.8	0	0	0	0	112.4
916	S	47.3	Very low	51.4	Low	103 Å²	103	112.7 Å²	112.7	72%	0.72	63%	0.626	S	S	*	*			trans	172.1	93.7	130.3	60.6	0	0	0	0	113.5	Q914	Q914-S916 PolarHBondContact O-N 3.31Å
917	K	35.8	Very low	51.3	Low	207 Å²	207	112.1 Å²	112.1	90%	0.9	62%	0.615	S	S	*	*			trans	-167.8	145.7	145.5	-106.7	153.5	-171.1	175.5	0	109.8
918	A	36.2	Very low	51.1	Low	86 Å²	86	113.2 Å²	113.2	71%	0.711	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-68.2	145.4	175.1	0	0	0	0	0	110.1	E920	A918-E920 PolarHBondContact O-N 2.88Å
919	P	41.9	Very low	51.7	Low	100 Å²	100	108.3 Å²	108.3	65%	0.649	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-61.5	127.5	-178.2	24.6	-34	0	0	0	110.8
920	E	45.3	Very low	53.4	Low	185 Å²	185	106.6 Å²	106.6	86%	0.864	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-65.4	141.5	174.3	-69.1	-152	137.6	0	0	110.4	A918 L922	A918-E920 PolarHBondContact O-N 2.88Å; E920-L922 PolarHBondContact O-N 2.9Å
921	P	49.3	Very low	55.3	Low	39 Å²	39	103.3 Å²	103.3	25%	0.253	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-73.2	125.6	-176.1	28.9	-34.3	0	0	0	111.4	F923 K950 M952	P921-F923 HydrophobicContact CB-CE2 4.44Å; P921-F923 HydrophobicContact CB-CZ 4.39Å; P921-F923 HydrophobicContact CG-CE2 3.87Å; P921-F923 HydrophobicContact CG-CZ 3.9Å; P921-F923 VanDerWaalsContact O-CD2 3.23Å; P921-F923 WeakPolarHBondContact O-CD2 3.4Å; P921-F923 VanDerWaalsContact O-CE2 3.3Å; P921-F923 WeakPolarHBondContact O-CE2 3.33Å; P921-K950 HydrophobicContact CB-CD 4.17Å; P921-K950 HydrophobicContact CB-CG 3.89Å; P921-M952 HydrophobicContact CB-CE 4.46Å; P921-M952 HydrophobicContact CB-CG 3.69Å; P921-M952 HydrophobicContact CB-SD 3.92Å
922	L	58.1	Low	57	Low	119 Å²	119	104.8 Å²	104.8	62%	0.623	56%	0.558	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-69.2	134.4	175.1	-144.5	76.7	0	0	0	109.9	E920 K950 I951	E920-L922 PolarHBondContact O-N 2.9Å; L922-K950 WeakPolarHBondContact O-CA 3.46Å; L922-I951 PolarHBondContact N-O 3.25Å; L922-I951 PolarHBondContact O-N 3.49Å
923	F	70.6	Confident	59.1	Low	52 Å²	52	97.5 Å²	97.5	23%	0.228	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.2	173.5	-61.8	-80.4	0	0	0	108.9	P921 T949 K950 V959 K963 L967	P921-F923 HydrophobicContact CB-CE2 4.44Å; P921-F923 HydrophobicContact CB-CZ 4.39Å; P921-F923 HydrophobicContact CG-CE2 3.87Å; P921-F923 HydrophobicContact CG-CZ 3.9Å; P921-F923 VanDerWaalsContact O-CD2 3.23Å; P921-F923 WeakPolarHBondContact O-CD2 3.4Å; P921-F923 VanDerWaalsContact O-CE2 3.3Å; P921-F923 WeakPolarHBondContact O-CE2 3.33Å; F923-T949 WeakPolarHBondContact CA-O 3.46Å; F923-K950 HydrophobicContact CD1-CB 3.88Å; F923-K950 HydrophobicContact CD1-CG 4.01Å; F923-K950 HydrophobicContact CE1-CB 3.77Å; F923-K950 HydrophobicContact CE1-CD 3.97Å; F923-K950 HydrophobicContact CE1-CG 3.58Å; F923-K950 HydrophobicContact CZ-CD 4.37Å; F923-K950 HydrophobicContact CZ-CG 4.18Å; F923-V959 HydrophobicContact CD1-CG2 3.92Å; F923-V959 HydrophobicContact CE1-CG2 4.07Å; F923-K963 HydrophobicContact CD1-CB 3.69Å; F923-K963 HydrophobicContact CD1-CG 4.19Å; F923-K963 HydrophobicContact CE1-CB 3.88Å; F923-K963 HydrophobicContact CE1-CD 4Å; F923-K963 HydrophobicContact CE1-CG 3.84Å; F923-K963 HydrophobicContact CE2-CD 4.24Å; F923-K963 HydrophobicContact CG-CB 4.11Å; F923-K963 HydrophobicContact CZ-CB 4.48Å; F923-K963 HydrophobicContact CZ-CD 3.84Å; F923-K963 HydrophobicContact CZ-CG 4.22Å; F923-L967 WeakPolarHBondContact O-CD1 3.38Å
924	M	72.5	Confident	61	Low	78 Å²	78	95.3 Å²	95.3	38%	0.384	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	155.7	176.1	61.6	179	-63.7	0	0	112	T926 T949 I951 C964	M924-T926 HydrophobicContact CE-CG2 3.97Å; M924-T926 HydrophobicContact CG-CG2 4.1Å; M924-T926 HydrophobicContact SD-CG2 4.3Å; M924-T949 PolarHBondContact N-O 2.83Å; M924-T949 PolarHBondContact O-N 2.77Å; M924-T949 PolarHBondContact O-OG1 2.96Å; M924-I951 HydrophobicContact CG-CD1 4.23Å; M924-I951 HydrophobicContact SD-CD1 3.64Å; M924-C964 PolarHBondContact O-SG 3.14Å; M924-C964 VanDerWaalsContact O-SG 3.34Å
925	W	75.3	Confident	62.7	Low	36 Å²	36	86.2 Å²	86.2	14%	0.136	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	133.9	169.1	-67.4	112.2	0	0	0	110.1	V946 C948 N961 C964 L967 K969 P970	W925-V946 HydrophobicContact CB-CG1 4.18Å; W925-V946 HydrophobicContact CD2-CG1 4.42Å; W925-V946 HydrophobicContact CE3-CG1 3.96Å; W925-C948 HydrophobicContact CE3-CB 4.16Å; W925-C948 HydrophobicContact CZ3-CB 4.06Å; W925-N961 HydrophobicContact CH2-CB 3.79Å; W925-N961 HydrophobicContact CZ3-CB 4.08Å; W925-N961 WeakPolarHBondContact CZ3-OD1 3.41Å; W925-C964 HydrophobicContact CD2-CB 3.68Å; W925-C964 HydrophobicContact CE3-CB 4.25Å; W925-C964 HydrophobicContact CG-CB 4.11Å; W925-C964 HydrophobicContact CH2-CB 4.21Å; W925-C964 HydrophobicContact CZ2-CB 3.62Å; W925-C964 HydrophobicContact CZ3-CB 4.49Å; W925-C964 PolarHBondContact NE1-O 2.87Å; W925-C964 VanDerWaalsContact NE1-O 3.12Å; W925-L967 PolarHBondContact NE1-O 2.8Å; W925-K969 HydrophobicContact CD2-CB 4.2Å; W925-K969 HydrophobicContact CD2-CG 3.94Å; W925-K969 HydrophobicContact CE3-CG 4.1Å; W925-K969 HydrophobicContact CG-CG 4.43Å; W925-K969 HydrophobicContact CH2-CD 4.22Å; W925-K969 HydrophobicContact CH2-CG 4.33Å; W925-K969 HydrophobicContact CZ2-CB 4.07Å; W925-K969 HydrophobicContact CZ2-CD 4.44Å; W925-K969 HydrophobicContact CZ2-CG 4.19Å; W925-K969 HydrophobicContact CZ3-CD 4.28Å; W925-K969 HydrophobicContact CZ3-CG 4.28Å; W925-P970 VanDerWaalsContact CB-CD 3.42Å; W925-P970 HydrophobicContact CB-CG 4.04Å
926	T	70.9	Confident	64.3	Low	33 Å²	33	82.7 Å²	82.7	20%	0.202	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	143.8	178.5	43.1	0	0	0	0	110.7	M924 T928 S947 T949	M924-T926 HydrophobicContact CE-CG2 3.97Å; M924-T926 HydrophobicContact CG-CG2 4.1Å; M924-T926 HydrophobicContact SD-CG2 4.3Å; T926-T928 PolarHBondContact O-N 3.39Å; T926-S947 PolarHBondContact N-O 3.29Å; T926-S947 PolarHBondContact O-N 2.68Å; T926-S947 PolarHBondContact OG1-O 3.32Å; T926-T949 VanDerWaalsContact CG2-OG1 3.28Å; T926-T949 WeakPolarHBondContact CG2-OG1 3.25Å; T926-T949 WeakPolarHBondContact OG1-CG2 3.13Å; T926-T949 PolarHBondContact OG1-OG1 2.81Å
927	H	73.6	Confident	65.7	Low	72 Å²	72	78.1 Å²	78.1	33%	0.333	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	99.1	167.7	-54.9	-91.7	0	0	0	107.5	T944 E971	H927-T944 HydrophobicContact CB-CG2 4.11Å; H927-T944 PolarHBondContact ND1-OG1 3.46Å; H927-E971 PolarHBondContact CE1-O 2.93Å
928	T	64.3	Low	67.3	Low	50 Å²	50	70.7 Å²	70.7	31%	0.307	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-27.3	-169.3	48.3	0	0	0	0	113.9	T926 T945 S947 T949 I958	T926-T928 PolarHBondContact O-N 3.39Å; T928-T945 PolarHBondContact N-O 3.13Å; T928-T945 PolarHBondContact OG1-O 3.11Å; T928-S947 PolarHBondContact OG1-OG 2.81Å; T928-T949 HydrophobicContact CG2-CG2 4.03Å; T928-I958 HydrophobicContact CG2-CD1 3.85Å; T928-I958 HydrophobicContact CG2-CG1 4.03Å
929	S	70.4	Confident	69.1	Low	56 Å²	56	68.2 Å²	68.2	39%	0.392	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	155.6	-174.3	41.5	0	0	0	0	108.7	T944 T945	S929-T944 CarbonylContact O-C 3.57Å; S929-T944 VanDerWaalsContact O-CA 3.3Å; S929-T944 WeakPolarHBondContact O-CA 3.43Å; S929-T945 PolarHBondContact O-N 3.48Å; S929-T945 VanDerWaalsContact OG-CB 3.24Å; S929-T945 WeakPolarHBondContact OG-CB 3.44Å; S929-T945 PolarHBondContact OG-OG1 3.27Å
930	W	75.7	Confident	70.7	Confident	87 Å²	87	64 Å²	64	33%	0.33	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	138.3	155.7	-67.8	89	0	0	0	107.9	R942 T944 Q973 R975	W930-R942 HydrophobicContact CD2-CG 4.25Å; W930-R942 HydrophobicContact CE3-CB 4.22Å; W930-R942 HydrophobicContact CE3-CG 3.62Å; W930-R942 HydrophobicContact CZ3-CG 4.19Å; W930-R942 WeakPolarHBondContact CZ3-O 3.23Å; W930-T944 HydrophobicContact CD2-CG2 3.77Å; W930-T944 HydrophobicContact CE3-CG2 3.7Å; W930-T944 HydrophobicContact CH2-CG2 3.65Å; W930-T944 HydrophobicContact CZ2-CG2 3.69Å; W930-T944 HydrophobicContact CZ3-CG2 3.66Å; W930-Q973 HydrophobicContact CH2-CB 4Å; W930-Q973 VanDerWaalsContact CZ3-O 3.22Å; W930-Q973 WeakPolarHBondContact CZ3-O 3.47Å; W930-R975 HydrophobicContact CE3-CB 4.42Å; W930-R975 HydrophobicContact CH2-CB 3.44Å; W930-R975 VanDerWaalsContact CH2-CB 3.44Å; W930-R975 HydrophobicContact CZ2-CB 4.23Å; W930-R975 HydrophobicContact CZ3-CB 3.55Å
931	E	78.4	Confident	72.4	Confident	93 Å²	93	58.9 Å²	58.9	44%	0.435	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-64.1	159.5	159.6	-63	167.9	-176.8	0	0	108.3	R942 K943 T945	E931-R942 WeakPolarHBondContact O-CB 3.35Å; E931-K943 WeakPolarHBondContact CB-O 2.98Å; E931-K943 WeakPolarHBondContact CG-O 3.32Å; E931-K943 PolarHBondContact N-O 2.68Å; E931-T945 WeakPolarHBondContact CG-OG1 3.3Å
932	D	75	Confident	73.6	Confident	155 Å²	155	60.7 Å²	60.7	83%	0.829	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-60.4	153.1	175.5	-67.8	-60.6	0	0	0	110.9	D934	D932-D934 PolarHBondContact O-N 3.34Å
933	C	80.1	Confident	74.7	Confident	24 Å²	24	59.2 Å²	59.2	16%	0.162	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-68.2	127.6	175.8	-163.2	0	0	0	0	109.3	A935 R942 C977 N978	C933-A935 VanDerWaalsContact CB-O 3.29Å; C933-A935 WeakPolarHBondContact CB-O 3.24Å; C933-A935 PolarHBondContact O-N 3.14Å; C933-A935 VanDerWaalsContact O-N 3.15Å; C933-A935 PolarHBondContact SG-O 2.92Å; C933-R942 HydrophobicContact CB-CB 4.46Å; C933-C977 HydrophobicContact CB-CB 3.94Å; C933-C977 WeakPolarHBondContact CB-SG 3.39Å; C933-C977 WeakPolarHBondContact SG-CB 3.48Å; C933-C977 CovalentContact SG-SG 2.02Å; C933-C977 PolarHBondContact SG-SG 2.84Å; C933-N978 WeakPolarHBondContact CB-ND2 3.46Å
934	D	78.4	Confident	74.9	Confident	106 Å²	106	56.9 Å²	56.9	57%	0.567	31%	0.31	S	S	*	.	S	Bend	trans	-58.3	-26.9	178.5	65.4	-4.1	0	0	0	112.8	D932 G940 E941	D932-D934 PolarHBondContact O-N 3.34Å; D934-G940 WeakPolarHBondContact OD1-CA 3.4Å; D934-E941 VanDerWaalsContact CG-O 3.22Å; D934-E941 PolarHBondContact N-O 3.06Å; D934-E941 PolarHBondContact OD1-N 3.38Å
935	A	72.6	Confident	74.9	Confident	4 Å²	4	55.1 Å²	55.1	3%	0.033	30%	0.304	C	S	.	.			trans	-112.3	134.4	166.4	0	0	0	0	0	112.8	C933 N978 S1014	C933-A935 VanDerWaalsContact CB-O 3.29Å; C933-A935 WeakPolarHBondContact CB-O 3.24Å; C933-A935 PolarHBondContact O-N 3.14Å; C933-A935 VanDerWaalsContact O-N 3.15Å; C933-A935 PolarHBondContact SG-O 2.92Å; A935-N978 WeakPolarHBondContact O-CB 3.33Å; A935-N978 PolarHBondContact O-ND2 2.88Å; A935-S1014 CarbonylContact C-O 3.5Å; A935-S1014 WeakPolarHBondContact CA-O 3.38Å
936	T	77.8	Confident	75	Confident	51 Å²	51	53.8 Å²	53.8	31%	0.313	30%	0.3	S	S	.	.	S	Bend	trans	-79.4	-18.6	169.4	62.3	0	0	0	0	113.9	Q1012 L1013 S1014 G1016	T936-Q1012 VanDerWaalsContact CB-NE2 3.3Å; T936-Q1012 PolarHBondContact OG1-NE2 3.01Å; T936-L1013 PolarHBondContact OG1-O 2.97Å; T936-S1014 PolarHBondContact N-O 3.08Å; T936-S1014 PolarHBondContact OG1-O 3.07Å; T936-G1016 WeakPolarHBondContact OG1-CA 3.43Å; T936-G1016 PolarHBondContact OG1-N 3.22Å
937	C	77.1	Confident	75.2	Confident	7 Å²	7	53 Å²	53	5%	0.047	30%	0.296	C	S	.	.	S	Bend	trans	-163.2	166.8	177	59	0	0	0	0	110.8	G939 N978 C982 S1014	C937-G939 VanDerWaalsContact C-N 3.32Å; C937-G939 PolarHBondContact O-N 3.03Å; C937-N978 CarbonylContact C-O 3.54Å; C937-N978 VanDerWaalsContact C-O 3.32Å; C937-N978 WeakPolarHBondContact CA-O 3.46Å; C937-C982 HydrophobicContact CB-CB 3.93Å; C937-C982 WeakPolarHBondContact CB-SG 3.11Å; C937-C982 PolarHBondContact O-SG 3.5Å; C937-C982 VanDerWaalsContact O-SG 3.41Å; C937-C982 WeakPolarHBondContact SG-CA 3.44Å; C937-C982 WeakPolarHBondContact SG-CB 3.33Å; C937-C982 CovalentContact SG-SG 2.04Å; C937-C982 PolarHBondContact SG-SG 2.87Å; C937-S1014 VanDerWaalsContact O-CA 3.32Å; C937-S1014 WeakPolarHBondContact O-CA 3.4Å; C937-S1014 WeakPolarHBondContact O-CB 3.19Å
938	G	70.9	Confident	75.4	Confident	51 Å²	51	49.6 Å²	49.6	53%	0.526	28%	0.28	S	S	.	.	S	Bend	trans	79.9	8	175.4	0	0	0	0	0	115.3	N978 Q980	G938-N978 PolarHBondContact N-O 3.43Å; G938-Q980 PolarHBondContact N-O 2.99Å
939	G	72.6	Confident	75.8	Confident	35 Å²	35	47.4 Å²	47.4	36%	0.361	27%	0.267	S	S	.	.	S	Bend	trans	88.4	125.7	-173.8	0	0	0	0	0	112.7	C937 N978	C937-G939 VanDerWaalsContact C-N 3.32Å; C937-G939 PolarHBondContact O-N 3.03Å; G939-N978 PolarHBondContact N-O 3.39Å
940	G	75.3	Confident	75.9	Confident	10 Å²	10	47.6 Å²	47.6	10%	0.103	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	-177.5	172	0	0	0	0	0	111.5	D934 K976 C977	D934-G940 WeakPolarHBondContact OD1-CA 3.4Å; G940-K976 CarbonylContact O-C 3.55Å; G940-K976 VanDerWaalsContact O-CA 3.28Å; G940-K976 WeakPolarHBondContact O-CA 3.04Å; G940-C977 PolarHBondContact N-O 3.37Å; G940-C977 PolarHBondContact O-N 3.23Å
941	E	80.9	Confident	75.3	Confident	79 Å²	79	46.2 Å²	46.2	37%	0.369	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	129.8	-179.2	-62.9	-168.5	158	0	0	111.1	D934 I974	D934-E941 VanDerWaalsContact CG-O 3.22Å; D934-E941 PolarHBondContact N-O 3.06Å; D934-E941 PolarHBondContact OD1-N 3.38Å; E941-I974 HydrophobicContact CB-CG2 3.83Å; E941-I974 HydrophobicContact CG-CG2 4.11Å; E941-I974 WeakPolarHBondContact OE2-CG2 3.11Å
942	R	75.6	Confident	74.2	Confident	77 Å²	77	45.8 Å²	45.8	29%	0.291	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	150	167.6	57.7	-177	-178.3	171.4	-2.5	110.5	W930 E931 C933 R975 C977	W930-R942 HydrophobicContact CD2-CG 4.25Å; W930-R942 HydrophobicContact CE3-CB 4.22Å; W930-R942 HydrophobicContact CE3-CG 3.62Å; W930-R942 HydrophobicContact CZ3-CG 4.19Å; W930-R942 WeakPolarHBondContact CZ3-O 3.23Å; E931-R942 WeakPolarHBondContact O-CB 3.35Å; C933-R942 HydrophobicContact CB-CB 4.46Å; R942-R975 WeakPolarHBondContact CG-O 3.5Å; R942-R975 PolarHBondContact N-O 3.25Å; R942-R975 PolarHBondContact O-N 2.55Å; R942-C977 HydrophobicContact CG-CB 4.23Å; R942-C977 VanDerWaalsContact CG-SG 3.54Å; R942-C977 PolarHBondContact N-SG 2.88Å
943	K	80.8	Confident	72.9	Confident	88 Å²	88	44 Å²	44	38%	0.383	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	148.9	-176.5	-59.3	-175.2	-178.9	174.4	0	110	E931 P972 Q973 I974	E931-K943 WeakPolarHBondContact CB-O 2.98Å; E931-K943 WeakPolarHBondContact CG-O 3.32Å; E931-K943 PolarHBondContact N-O 2.68Å; K943-P972 HydrophobicContact CB-CB 4.02Å; K943-Q973 CarbonylContact C-O 3.43Å; K943-Q973 VanDerWaalsContact CA-O 3.3Å; K943-Q973 WeakPolarHBondContact CA-O 3.27Å; K943-I974 HydrophobicContact CD-CG1 4.49Å; K943-I974 HydrophobicContact CG-CG1 4.25Å
944	T	74.5	Confident	71.4	Confident	3 Å²	3	52.5 Å²	52.5	2%	0.018	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	128.2	177.2	55.7	0	0	0	0	112	H927 S929 W930 V946 P972 Q973	H927-T944 HydrophobicContact CB-CG2 4.11Å; H927-T944 PolarHBondContact ND1-OG1 3.46Å; S929-T944 CarbonylContact O-C 3.57Å; S929-T944 VanDerWaalsContact O-CA 3.3Å; S929-T944 WeakPolarHBondContact O-CA 3.43Å; W930-T944 HydrophobicContact CD2-CG2 3.77Å; W930-T944 HydrophobicContact CE3-CG2 3.7Å; W930-T944 HydrophobicContact CH2-CG2 3.65Å; W930-T944 HydrophobicContact CZ2-CG2 3.69Å; W930-T944 HydrophobicContact CZ3-CG2 3.66Å; T944-V946 PolarHBondContact O-N 3.48Å; T944-P972 WeakPolarHBondContact O-CB 3.47Å; T944-P972 WeakPolarHBondContact OG1-CA 3.41Å; T944-Q973 HydrophobicContact CG2-CB 3.87Å; T944-Q973 PolarHBondContact N-O 2.91Å; T944-Q973 PolarHBondContact OG1-N 2.9Å
945	T	73.8	Confident	70	Confident	41 Å²	41	53.6 Å²	53.6	25%	0.252	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	118.1	167.3	-35.3	0	0	0	0	109.6	T928 S929 E931	T928-T945 PolarHBondContact N-O 3.13Å; T928-T945 PolarHBondContact OG1-O 3.11Å; S929-T945 PolarHBondContact O-N 3.48Å; S929-T945 VanDerWaalsContact OG-CB 3.24Å; S929-T945 WeakPolarHBondContact OG-CB 3.44Å; S929-T945 PolarHBondContact OG-OG1 3.27Å; E931-T945 WeakPolarHBondContact CG-OG1 3.3Å
946	V	77.1	Confident	69.4	Low	7 Å²	7	59.4 Å²	59.4	4%	0.042	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	107.5	179	177	0	0	0	0	109.6	W925 T944 K969 P970	W925-V946 HydrophobicContact CB-CG1 4.18Å; W925-V946 HydrophobicContact CD2-CG1 4.42Å; W925-V946 HydrophobicContact CE3-CG1 3.96Å; T944-V946 PolarHBondContact O-N 3.48Å; V946-K969 HydrophobicContact CG1-CD 4.35Å; V946-K969 HydrophobicContact CG1-CG 3.73Å; V946-K969 WeakPolarHBondContact O-CE 3.39Å; V946-P970 HydrophobicContact CG1-CG 3.8Å
947	S	75.4	Confident	68.7	Low	17 Å²	17	59.7 Å²	59.7	12%	0.119	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	148.1	-175.7	-45.4	0	0	0	0	111.2	T926 T928 T949	T926-S947 PolarHBondContact N-O 3.29Å; T926-S947 PolarHBondContact O-N 2.68Å; T926-S947 PolarHBondContact OG1-O 3.32Å; T928-S947 PolarHBondContact OG1-OG 2.81Å; S947-T949 PolarHBondContact O-N 3.1Å
948	C	75.8	Confident	68.4	Low	0 Å²	0	64.6 Å²	64.6	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	122.9	173.5	-175.2	0	0	0	0	110.2	W925 V959 N961 C964	W925-C948 HydrophobicContact CE3-CB 4.16Å; W925-C948 HydrophobicContact CZ3-CB 4.06Å; C948-V959 HydrophobicContact CB-CG2 4.28Å; C948-V959 WeakPolarHBondContact O-CG2 3.03Å; C948-V959 PolarHBondContact O-N 2.92Å; C948-N961 PolarHBondContact N-OD1 3Å; C948-C964 VanDerWaalsContact CA-SG 3.54Å; C948-C964 HydrophobicContact CB-CB 3.69Å; C948-C964 WeakPolarHBondContact CB-SG 3.49Å; C948-C964 WeakPolarHBondContact SG-CB 3.38Å; C948-C964 PolarHBondContact SG-N 2.81Å; C948-C964 CovalentContact SG-SG 2.04Å; C948-C964 PolarHBondContact SG-SG 3.42Å
949	T	73.7	Confident	68.5	Low	5 Å²	5	64 Å²	64	3%	0.031	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	147.9	171.8	47.1	0	0	0	0	111.4	F923 M924 T926 T928 S947 I956 S957 I958	F923-T949 WeakPolarHBondContact CA-O 3.46Å; M924-T949 PolarHBondContact N-O 2.83Å; M924-T949 PolarHBondContact O-N 2.77Å; M924-T949 PolarHBondContact O-OG1 2.96Å; T926-T949 VanDerWaalsContact CG2-OG1 3.28Å; T926-T949 WeakPolarHBondContact CG2-OG1 3.25Å; T926-T949 WeakPolarHBondContact OG1-CG2 3.13Å; T926-T949 PolarHBondContact OG1-OG1 2.81Å; T928-T949 HydrophobicContact CG2-CG2 4.03Å; S947-T949 PolarHBondContact O-N 3.1Å; T949-I956 HydrophobicContact CG2-CG2 4.14Å; T949-S957 WeakPolarHBondContact CA-O 3.44Å; T949-I958 HydrophobicContact CG2-CG1 3.96Å
950	K	72.3	Confident	68.5	Low	59 Å²	59	66.4 Å²	66.4	26%	0.257	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.9	172.2	-175.9	-166.6	-177.6	-161.6	0	107.9	P921 L922 F923 M952 S957 V959	P921-K950 HydrophobicContact CB-CD 4.17Å; P921-K950 HydrophobicContact CB-CG 3.89Å; L922-K950 WeakPolarHBondContact O-CA 3.46Å; F923-K950 HydrophobicContact CD1-CB 3.88Å; F923-K950 HydrophobicContact CD1-CG 4.01Å; F923-K950 HydrophobicContact CE1-CB 3.77Å; F923-K950 HydrophobicContact CE1-CD 3.97Å; F923-K950 HydrophobicContact CE1-CG 3.58Å; F923-K950 HydrophobicContact CZ-CD 4.37Å; F923-K950 HydrophobicContact CZ-CG 4.18Å; K950-M952 WeakPolarHBondContact CE-SD 3.34Å; K950-M952 HydrophobicContact CG-CG 4.44Å; K950-M952 PolarHBondContact NZ-SD 2.84Å; K950-S957 PolarHBondContact N-O 3.26Å; K950-S957 PolarHBondContact O-N 2.84Å; K950-V959 HydrophobicContact CB-CB 4.5Å; K950-V959 HydrophobicContact CB-CG1 3.6Å; K950-V959 HydrophobicContact CB-CG2 4.04Å; K950-V959 HydrophobicContact CD-CG1 4.26Å
951	I	63.1	Low	68.5	Low	58 Å²	58	69.3 Å²	69.3	30%	0.297	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	125.4	178.3	-53.4	-174.1	0	0	0	108.5	L922 M924 I956	L922-I951 PolarHBondContact N-O 3.25Å; L922-I951 PolarHBondContact O-N 3.49Å; M924-I951 HydrophobicContact CG-CD1 4.23Å; M924-I951 HydrophobicContact SD-CD1 3.64Å; I951-I956 HydrophobicContact CG1-CG1 4.26Å; I951-I956 HydrophobicContact CG2-CG1 4.36Å
952	M	54.8	Low	67.9	Low	85 Å²	85	72.6 Å²	72.6	42%	0.419	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	83	175.1	-72.1	-163.2	78.2	0	0	110.5	P921 K950 K954 N955	P921-M952 HydrophobicContact CB-CE 4.46Å; P921-M952 HydrophobicContact CB-CG 3.69Å; P921-M952 HydrophobicContact CB-SD 3.92Å; K950-M952 WeakPolarHBondContact CE-SD 3.34Å; K950-M952 HydrophobicContact CG-CG 4.44Å; K950-M952 PolarHBondContact NZ-SD 2.84Å; M952-K954 PolarHBondContact O-N 3.47Å; M952-N955 PolarHBondContact N-O 3.26Å; M952-N955 PolarHBondContact O-N 2.88Å
953	S	49.3	Very low	67.5	Low	116 Å²	116	74.2 Å²	74.2	81%	0.811	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	-25.4	165	-48.7	0	0	0	0	120.2
954	K	47.3	Very low	67.2	Low	204 Å²	204	70.1 Å²	70.1	89%	0.887	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147.3	-15.6	175.4	-64.6	-169.8	179.5	-179.7	0	113.3	M952	M952-K954 PolarHBondContact O-N 3.47Å
955	N	48.4	Very low	66.4	Low	129 Å²	129	76 Å²	76	69%	0.69	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.2	140.6	175.9	-81.1	-11.9	0	0	0	111.5	M952	M952-N955 PolarHBondContact N-O 3.26Å; M952-N955 PolarHBondContact O-N 2.88Å
956	I	61	Low	65.7	Low	125 Å²	125	82 Å²	82	64%	0.641	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.6	130.9	167.4	-61.2	162.5	0	0	0	107	T949 I951	T949-I956 HydrophobicContact CG2-CG2 4.14Å; I951-I956 HydrophobicContact CG1-CG1 4.26Å; I951-I956 HydrophobicContact CG2-CG1 4.36Å
957	S	63.6	Low	65.1	Low	58 Å²	58	85.7 Å²	85.7	41%	0.406	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	135.9	176.6	65.1	0	0	0	0	111.5	T949 K950	T949-S957 WeakPolarHBondContact CA-O 3.44Å; K950-S957 PolarHBondContact N-O 3.26Å; K950-S957 PolarHBondContact O-N 2.84Å
958	I	69.9	Low	64.6	Low	110 Å²	110	91.4 Å²	91.4	56%	0.564	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	139	170.9	-53.1	177.2	0	0	0	109	T928 T949	T928-I958 HydrophobicContact CG2-CD1 3.85Å; T928-I958 HydrophobicContact CG2-CG1 4.03Å; T949-I958 HydrophobicContact CG2-CG1 3.96Å
959	V	74.3	Confident	64.3	Low	38 Å²	38	96.9 Å²	96.9	23%	0.23	49%	0.485	C	S	.	.			trans	-136.2	168.8	-178.3	-66.4	0	0	0	0	111.3	F923 C948 K950 N961 K963	F923-V959 HydrophobicContact CD1-CG2 3.92Å; F923-V959 HydrophobicContact CE1-CG2 4.07Å; C948-V959 HydrophobicContact CB-CG2 4.28Å; C948-V959 WeakPolarHBondContact O-CG2 3.03Å; C948-V959 PolarHBondContact O-N 2.92Å; K950-V959 HydrophobicContact CB-CB 4.5Å; K950-V959 HydrophobicContact CB-CG1 3.6Å; K950-V959 HydrophobicContact CB-CG2 4.04Å; K950-V959 HydrophobicContact CD-CG1 4.26Å; V959-N961 PolarHBondContact O-N 3.13Å; V959-K963 HydrophobicContact CG2-CB 4.21Å; V959-K963 HydrophobicContact CG2-CG 4.45Å
960	D	72.2	Confident	64.3	Low	85 Å²	85	98.9 Å²	98.9	46%	0.455	50%	0.498	S	S	.	.			trans	-53	124	176.5	-174.3	-36.1	0	0	0	111.3	K962 K963	D960-K962 PolarHBondContact O-N 3.47Å; D960-K962 VanDerWaalsContact OD1-CB 3.29Å; D960-K962 WeakPolarHBondContact OD1-CB 3.31Å; D960-K962 WeakPolarHBondContact OD1-CD 2.99Å; D960-K962 WeakPolarHBondContact OD1-CG 3.48Å; D960-K962 PolarHBondContact OD1-N 2.97Å; D960-K962 IonicContact OD1-NZ 2.96Å; D960-K962 IonicContact OD2-NZ 3.84Å; D960-K962 PolarHBondContact OD2-NZ 2.89Å; D960-K963 WeakPolarHBondContact O-CB 3.21Å; D960-K963 PolarHBondContact O-N 3.49Å
961	N	73.7	Confident	64.2	Low	72 Å²	72	104.2 Å²	104.2	39%	0.385	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-49.8	-23.5	179.3	-77.9	-12	0	0	0	114.5	W925 C948 V959 K963 C964 K965	W925-N961 HydrophobicContact CH2-CB 3.79Å; W925-N961 HydrophobicContact CZ3-CB 4.08Å; W925-N961 WeakPolarHBondContact CZ3-OD1 3.41Å; C948-N961 PolarHBondContact N-OD1 3Å; V959-N961 PolarHBondContact O-N 3.13Å; N961-K963 PolarHBondContact O-N 2.04Å; N961-C964 PolarHBondContact O-N 3.43Å; N961-C964 VanDerWaalsContact O-N 3.15Å; N961-K965 PolarHBondContact O-N 2.91Å
962	K	69.4	Low	64.5	Low	148 Å²	148	104.4 Å²	104.4	64%	0.643	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-58.2	-23.1	171.1	-64.9	166.3	-158.4	122.5	0	113.4	D960 K965	D960-K962 PolarHBondContact O-N 3.47Å; D960-K962 VanDerWaalsContact OD1-CB 3.29Å; D960-K962 WeakPolarHBondContact OD1-CB 3.31Å; D960-K962 WeakPolarHBondContact OD1-CD 2.99Å; D960-K962 WeakPolarHBondContact OD1-CG 3.48Å; D960-K962 PolarHBondContact OD1-N 2.97Å; D960-K962 IonicContact OD1-NZ 2.96Å; D960-K962 IonicContact OD2-NZ 3.84Å; D960-K962 PolarHBondContact OD2-NZ 2.89Å; K962-K965 WeakPolarHBondContact O-CB 3.49Å; K962-K965 PolarHBondContact O-N 3.37Å
963	K	68.1	Low	65.5	Low	111 Å²	111	105.5 Å²	105.5	48%	0.483	53%	0.534	S	S	.	.	G	3₁₀ helix	trans	-72.2	-28.2	176.8	-73.3	-66.1	-172.3	174.4	0	113.5	F923 V959 D960 N961	F923-K963 HydrophobicContact CD1-CB 3.69Å; F923-K963 HydrophobicContact CD1-CG 4.19Å; F923-K963 HydrophobicContact CE1-CB 3.88Å; F923-K963 HydrophobicContact CE1-CD 4Å; F923-K963 HydrophobicContact CE1-CG 3.84Å; F923-K963 HydrophobicContact CE2-CD 4.24Å; F923-K963 HydrophobicContact CG-CB 4.11Å; F923-K963 HydrophobicContact CZ-CB 4.48Å; F923-K963 HydrophobicContact CZ-CD 3.84Å; F923-K963 HydrophobicContact CZ-CG 4.22Å; V959-K963 HydrophobicContact CG2-CB 4.21Å; V959-K963 HydrophobicContact CG2-CG 4.45Å; D960-K963 WeakPolarHBondContact O-CB 3.21Å; D960-K963 PolarHBondContact O-N 3.49Å; N961-K963 PolarHBondContact O-N 2.04Å
964	C	73.9	Confident	66.6	Low	1 Å²	1	104.5 Å²	104.5	1%	0.007	52%	0.518	C	S	.	.	G	3₁₀ helix	trans	-99.3	13.1	174.3	-61.3	0	0	0	0	112.4	M924 W925 C948 N961 Y966 L967	M924-C964 PolarHBondContact O-SG 3.14Å; M924-C964 VanDerWaalsContact O-SG 3.34Å; W925-C964 HydrophobicContact CD2-CB 3.68Å; W925-C964 HydrophobicContact CE3-CB 4.25Å; W925-C964 HydrophobicContact CG-CB 4.11Å; W925-C964 HydrophobicContact CH2-CB 4.21Å; W925-C964 HydrophobicContact CZ2-CB 3.62Å; W925-C964 HydrophobicContact CZ3-CB 4.49Å; W925-C964 PolarHBondContact NE1-O 2.87Å; W925-C964 VanDerWaalsContact NE1-O 3.12Å; C948-C964 VanDerWaalsContact CA-SG 3.54Å; C948-C964 HydrophobicContact CB-CB 3.69Å; C948-C964 WeakPolarHBondContact CB-SG 3.49Å; C948-C964 WeakPolarHBondContact SG-CB 3.38Å; C948-C964 PolarHBondContact SG-N 2.81Å; C948-C964 CovalentContact SG-SG 2.04Å; C948-C964 PolarHBondContact SG-SG 3.42Å; N961-C964 PolarHBondContact O-N 3.43Å; N961-C964 VanDerWaalsContact O-N 3.15Å; C964-Y966 PolarHBondContact O-N 2.79Å; C964-L967 HydrophobicContact CB-CD1 4.35Å; C964-L967 PolarHBondContact O-N 3.33Å
965	K	57.6	Low	67.9	Low	128 Å²	128	101.7 Å²	101.7	56%	0.557	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-26.4	-173	177.7	168.4	179.1	169.6	0	115.1	N961 K962	N961-K965 PolarHBondContact O-N 2.91Å; K962-K965 WeakPolarHBondContact O-CB 3.49Å; K962-K965 PolarHBondContact O-N 3.37Å
966	Y	59	Low	69.3	Low	165 Å²	165	102 Å²	102	65%	0.647	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-0.3	-178.7	-56.8	-77.1	0	0	0	113.5	C964	C964-Y966 PolarHBondContact O-N 2.79Å
967	L	64	Low	70.1	Confident	86 Å²	86	96.8 Å²	96.8	45%	0.45	47%	0.471	S	S	.	.	S	Bend	trans	-99	139.5	173	-59.1	173.7	0	0	0	108.3	F923 W925 C964 K969	F923-L967 WeakPolarHBondContact O-CD1 3.38Å; W925-L967 PolarHBondContact NE1-O 2.8Å; C964-L967 HydrophobicContact CB-CD1 4.35Å; C964-L967 PolarHBondContact O-N 3.33Å; L967-K969 PolarHBondContact O-N 3.11Å; L967-K969 VanDerWaalsContact O-N 3.16Å
968	T	65.1	Low	70.7	Confident	136 Å²	136	96.7 Å²	96.7	83%	0.834	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-58.2	119.7	175.8	-49.7	0	0	0	0	109.7	P970	T968-P970 WeakPolarHBondContact O-CD 3.06Å
969	K	70.4	Confident	70.8	Confident	115 Å²	115	97.7 Å²	97.7	50%	0.5	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-74.1	118.7	175.7	-173	-174.7	176.8	-169	0	108.3	W925 V946 L967	W925-K969 HydrophobicContact CD2-CB 4.2Å; W925-K969 HydrophobicContact CD2-CG 3.94Å; W925-K969 HydrophobicContact CE3-CG 4.1Å; W925-K969 HydrophobicContact CG-CG 4.43Å; W925-K969 HydrophobicContact CH2-CD 4.22Å; W925-K969 HydrophobicContact CH2-CG 4.33Å; W925-K969 HydrophobicContact CZ2-CB 4.07Å; W925-K969 HydrophobicContact CZ2-CD 4.44Å; W925-K969 HydrophobicContact CZ2-CG 4.19Å; W925-K969 HydrophobicContact CZ3-CD 4.28Å; W925-K969 HydrophobicContact CZ3-CG 4.28Å; V946-K969 HydrophobicContact CG1-CD 4.35Å; V946-K969 HydrophobicContact CG1-CG 3.73Å; V946-K969 WeakPolarHBondContact O-CE 3.39Å; L967-K969 PolarHBondContact O-N 3.11Å; L967-K969 VanDerWaalsContact O-N 3.16Å
970	P	72.6	Confident	70.6	Confident	47 Å²	47	100.5 Å²	100.5	31%	0.305	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-67.3	153.9	177.8	28.9	-34.5	0	0	0	110.9	W925 V946 T968	W925-P970 VanDerWaalsContact CB-CD 3.42Å; W925-P970 HydrophobicContact CB-CG 4.04Å; V946-P970 HydrophobicContact CG1-CG 3.8Å; T968-P970 WeakPolarHBondContact O-CD 3.06Å
971	E	70.6	Confident	70.4	Confident	172 Å²	172	101.3 Å²	101.3	80%	0.804	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-69.1	145.1	176.1	-60.3	-172	150.7	0	0	110.9	H927 Q973	H927-E971 PolarHBondContact CE1-O 2.93Å; E971-Q973 PolarHBondContact O-N 2.94Å
972	P	69.8	Low	70.5	Confident	61 Å²	61	99.4 Å²	99.4	40%	0.396	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-59	124.2	173.6	-25	35.8	0	0	0	111.3	K943 T944 I974	K943-P972 HydrophobicContact CB-CB 4.02Å; T944-P972 WeakPolarHBondContact O-CB 3.47Å; T944-P972 WeakPolarHBondContact OG1-CA 3.41Å; P972-I974 PolarHBondContact O-N 3.28Å
973	Q	75.3	Confident	70.7	Confident	109 Å²	109	99.7 Å²	99.7	51%	0.509	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-63	136.1	169.3	-63.1	179.2	-2.3	0	0	108.4	W930 K943 T944 E971	W930-Q973 HydrophobicContact CH2-CB 4Å; W930-Q973 VanDerWaalsContact CZ3-O 3.22Å; W930-Q973 WeakPolarHBondContact CZ3-O 3.47Å; K943-Q973 CarbonylContact C-O 3.43Å; K943-Q973 VanDerWaalsContact CA-O 3.3Å; K943-Q973 WeakPolarHBondContact CA-O 3.27Å; T944-Q973 HydrophobicContact CG2-CB 3.87Å; T944-Q973 PolarHBondContact N-O 2.91Å; T944-Q973 PolarHBondContact OG1-N 2.9Å; E971-Q973 PolarHBondContact O-N 2.94Å
974	I	72.3	Confident	71.3	Confident	94 Å²	94	96 Å²	96	48%	0.482	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	134.4	179	-50.4	-175.6	0	0	0	108.3	E941 K943 P972	E941-I974 HydrophobicContact CB-CG2 3.83Å; E941-I974 HydrophobicContact CG-CG2 4.11Å; E941-I974 WeakPolarHBondContact OE2-CG2 3.11Å; K943-I974 HydrophobicContact CD-CG1 4.49Å; K943-I974 HydrophobicContact CG-CG1 4.25Å; P972-I974 PolarHBondContact O-N 3.28Å
975	R	75.9	Confident	71.5	Confident	146 Å²	146	101.8 Å²	101.8	55%	0.551	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.8	131.4	176	175.1	169.8	174.4	174.3	3.8	111	W930 R942	W930-R975 HydrophobicContact CE3-CB 4.42Å; W930-R975 HydrophobicContact CH2-CB 3.44Å; W930-R975 VanDerWaalsContact CH2-CB 3.44Å; W930-R975 HydrophobicContact CZ2-CB 4.23Å; W930-R975 HydrophobicContact CZ3-CB 3.55Å; R942-R975 WeakPolarHBondContact CG-O 3.5Å; R942-R975 PolarHBondContact N-O 3.25Å; R942-R975 PolarHBondContact O-N 2.55Å
976	K	77.2	Confident	72.9	Confident	136 Å²	136	97.8 Å²	97.8	59%	0.591	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.1	140.6	171.5	-63.9	-171	177.1	-173.6	0	111.8	G940 E979	G940-K976 CarbonylContact O-C 3.55Å; G940-K976 VanDerWaalsContact O-CA 3.28Å; G940-K976 WeakPolarHBondContact O-CA 3.04Å; K976-E979 VanDerWaalsContact CB-OE1 3.29Å; K976-E979 WeakPolarHBondContact CB-OE1 3.31Å; K976-E979 WeakPolarHBondContact CD-OE1 3.46Å
977	C	77.9	Confident	73.8	Confident	14 Å²	14	93.3 Å²	93.3	10%	0.095	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	160.5	-176.5	43.3	0	0	0	0	110.6	C933 G940 R942 E979	C933-C977 HydrophobicContact CB-CB 3.94Å; C933-C977 WeakPolarHBondContact CB-SG 3.39Å; C933-C977 WeakPolarHBondContact SG-CB 3.48Å; C933-C977 CovalentContact SG-SG 2.02Å; C933-C977 PolarHBondContact SG-SG 2.84Å; G940-C977 PolarHBondContact N-O 3.37Å; G940-C977 PolarHBondContact O-N 3.23Å; R942-C977 HydrophobicContact CG-CB 4.23Å; R942-C977 VanDerWaalsContact CG-SG 3.54Å; R942-C977 PolarHBondContact N-SG 2.88Å; C977-E979 VanDerWaalsContact C-N 3.27Å; C977-E979 PolarHBondContact O-N 3.45Å
978	N	75.9	Confident	74.7	Confident	57 Å²	57	93.9 Å²	93.9	31%	0.305	46%	0.462	S	S	.	.			trans	53	38.7	176.1	-65.9	-32.8	0	0	0	115.4	C933 A935 C937 G938 G939 Q980	C933-N978 WeakPolarHBondContact CB-ND2 3.46Å; A935-N978 WeakPolarHBondContact O-CB 3.33Å; A935-N978 PolarHBondContact O-ND2 2.88Å; C937-N978 CarbonylContact C-O 3.54Å; C937-N978 VanDerWaalsContact C-O 3.32Å; C937-N978 WeakPolarHBondContact CA-O 3.46Å; G938-N978 PolarHBondContact N-O 3.43Å; G939-N978 PolarHBondContact N-O 3.39Å; N978-Q980 VanDerWaalsContact C-OE1 3.28Å; N978-Q980 VanDerWaalsContact CA-OE1 3.27Å; N978-Q980 PolarHBondContact O-N 2.83Å; N978-Q980 PolarHBondContact OD1-NE2 3.24Å; N978-Q980 VanDerWaalsContact OD1-NE2 3.1Å
979	E	71.9	Confident	75.4	Confident	131 Å²	131	90.8 Å²	90.8	61%	0.612	44%	0.443	S	S	*	.			trans	-66.3	-11.5	-179.9	-59.8	-177.2	153	0	0	113.6	K976 C977	K976-E979 VanDerWaalsContact CB-OE1 3.29Å; K976-E979 WeakPolarHBondContact CB-OE1 3.31Å; K976-E979 WeakPolarHBondContact CD-OE1 3.46Å; C977-E979 VanDerWaalsContact C-N 3.27Å; C977-E979 PolarHBondContact O-N 3.45Å
980	Q	69.7	Low	76	Confident	97 Å²	97	93 Å²	93	45%	0.453	46%	0.455	S	S	.	.	S	Bend	trans	-59	137	172	64.4	-78.6	-6.1	0	0	111.9	G938 N978	G938-Q980 PolarHBondContact N-O 2.99Å; N978-Q980 VanDerWaalsContact C-OE1 3.28Å; N978-Q980 VanDerWaalsContact CA-OE1 3.27Å; N978-Q980 PolarHBondContact O-N 2.83Å; N978-Q980 PolarHBondContact OD1-NE2 3.24Å; N978-Q980 VanDerWaalsContact OD1-NE2 3.1Å
981	P	68.2	Low	76.6	Confident	101 Å²	101	93.1 Å²	93.1	66%	0.656	45%	0.449	S	S	*	.			trans	-62.5	139.8	179.8	25.8	-34.5	0	0	0	111.4	Q983	P981-Q983 PolarHBondContact O-N 2.94Å
982	C	75.5	Confident	77.2	Confident	32 Å²	32	87.9 Å²	87.9	22%	0.216	43%	0.429	C	S	.	.			trans	-62.9	107.8	-179.2	-74.3	0	0	0	0	112.5	C937 Q1012	C937-C982 HydrophobicContact CB-CB 3.93Å; C937-C982 WeakPolarHBondContact CB-SG 3.11Å; C937-C982 PolarHBondContact O-SG 3.5Å; C937-C982 VanDerWaalsContact O-SG 3.41Å; C937-C982 WeakPolarHBondContact SG-CA 3.44Å; C937-C982 WeakPolarHBondContact SG-CB 3.33Å; C937-C982 CovalentContact SG-SG 2.04Å; C937-C982 PolarHBondContact SG-SG 2.87Å; C982-Q1012 WeakPolarHBondContact CB-O 3.26Å; C982-Q1012 PolarHBondContact SG-O 3.47Å; C982-Q1012 VanDerWaalsContact SG-O 3.4Å
983	Q	74.6	Confident	77.5	Confident	154 Å²	154	90.7 Å²	90.7	72%	0.72	45%	0.447	S	S	*	.			trans	-79	149.2	-177.6	-63.7	-175.3	-3.9	0	0	112.8	P981	P981-Q983 PolarHBondContact O-N 2.94Å
984	T	79.3	Confident	77.8	Confident	34 Å²	34	86.8 Å²	86.8	21%	0.209	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	134.9	170.8	38.1	0	0	0	0	110.2	T1010 Q1011 A1021 D1025	T984-T1010 WeakPolarHBondContact CA-O 3.44Å; T984-Q1011 HydrophobicContact CG2-CB 3.9Å; T984-Q1011 HydrophobicContact CG2-CG 4.08Å; T984-A1021 HydrophobicContact CG2-CB 4.23Å; T984-D1025 VanDerWaalsContact CB-O 3.28Å; T984-D1025 WeakPolarHBondContact CB-O 3.48Å; T984-D1025 HydrophobicContact CG2-CB 4.02Å; T984-D1025 PolarHBondContact OG1-O 3.47Å
985	R	79	Confident	78.1	Confident	122 Å²	122	86.5 Å²	86.5	46%	0.46	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	148.5	178.5	67.6	-178.6	-176	-176.2	-0.1	113	M987 T1010 C1026	R985-M987 HydrophobicContact CG-CG 4.28Å; R985-M987 HydrophobicContact CG-SD 4.33Å; R985-M987 PolarHBondContact NE-SD 3.06Å; R985-M987 PolarHBondContact O-N 2.9Å; R985-T1010 PolarHBondContact N-O 3.24Å; R985-T1010 PolarHBondContact O-N 2.83Å; R985-T1010 PolarHBondContact O-OG1 2.61Å; R985-C1026 PolarHBondContact O-SG 3.23Å; R985-C1026 VanDerWaalsContact O-SG 3.39Å
986	W	86	Confident	77.6	Confident	45 Å²	45	87.2 Å²	87.2	17%	0.17	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	107.9	168.2	-71.9	112.4	0	0	0	109.7	V1007 C1009 E1023 C1026 G1028 K1030 P1031	W986-V1007 HydrophobicContact CE3-CG1 3.97Å; W986-V1007 HydrophobicContact CZ3-CG1 4.43Å; W986-C1009 HydrophobicContact CE3-CB 4.06Å; W986-C1009 HydrophobicContact CH2-CB 4.23Å; W986-C1009 HydrophobicContact CZ3-CB 3.89Å; W986-E1023 HydrophobicContact CH2-CB 3.74Å; W986-E1023 HydrophobicContact CH2-CG 3.8Å; W986-E1023 HydrophobicContact CZ2-CB 4.49Å; W986-E1023 HydrophobicContact CZ3-CG 4.15Å; W986-C1026 HydrophobicContact CD2-CB 4.15Å; W986-C1026 HydrophobicContact CG-CB 4.3Å; W986-C1026 HydrophobicContact CZ2-CB 4.2Å; W986-G1028 PolarHBondContact NE1-O 3.14Å; W986-K1030 HydrophobicContact CE3-CG 4.19Å; W986-K1030 HydrophobicContact CH2-CB 3.77Å; W986-K1030 HydrophobicContact CH2-CD 3.77Å; W986-K1030 HydrophobicContact CH2-CG 3.61Å; W986-K1030 HydrophobicContact CZ2-CB 3.74Å; W986-K1030 HydrophobicContact CZ2-CG 4.09Å; W986-K1030 HydrophobicContact CZ3-CB 4.27Å; W986-K1030 HydrophobicContact CZ3-CD 3.98Å; W986-K1030 HydrophobicContact CZ3-CG 3.68Å; W986-P1031 HydrophobicContact CB-CG 3.92Å; W986-P1031 HydrophobicContact CG-CG 4.25Å
987	M	79.6	Confident	76.9	Confident	70 Å²	70	86.7 Å²	86.7	35%	0.345	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	143.2	167.7	-71.2	-66	-67.8	0	0	109.5	R985 V1007 A1008 T1010 L1018	R985-M987 HydrophobicContact CG-CG 4.28Å; R985-M987 HydrophobicContact CG-SD 4.33Å; R985-M987 PolarHBondContact NE-SD 3.06Å; R985-M987 PolarHBondContact O-N 2.9Å; M987-V1007 WeakPolarHBondContact O-CA 3.25Å; M987-A1008 PolarHBondContact N-O 3.49Å; M987-A1008 PolarHBondContact O-N 3.12Å; M987-T1010 HydrophobicContact CB-CG2 4.15Å; M987-T1010 HydrophobicContact CG-CG2 4.06Å; M987-T1010 WeakPolarHBondContact CG-OG1 3.04Å; M987-L1018 HydrophobicContact CE-CD1 4.14Å; M987-L1018 HydrophobicContact CG-CD1 4.4Å; M987-L1018 HydrophobicContact SD-CD1 4.47Å
988	M	81.8	Confident	76.2	Confident	99 Å²	99	89.5 Å²	89.5	49%	0.488	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	144.5	175.7	66.6	-168.8	-163.5	0	0	108.9	R1005 Q1006 V1007	M988-R1005 PolarHBondContact SD-NH1 3.36Å; M988-Q1006 CarbonylContact C-O 3.55Å; M988-Q1006 VanDerWaalsContact CA-O 3.23Å; M988-Q1006 WeakPolarHBondContact CA-O 3.28Å; M988-V1007 HydrophobicContact CB-CG2 4.1Å
989	T	79.6	Confident	75.6	Confident	70 Å²	70	88.7 Å²	88.7	43%	0.429	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-73	167.1	169.8	62.6	0	0	0	0	110	R1005 Q1006	T989-R1005 WeakPolarHBondContact O-CB 3.44Å; T989-R1005 WeakPolarHBondContact OG1-CA 3.39Å; T989-R1005 WeakPolarHBondContact OG1-CB 3.35Å; T989-Q1006 HydrophobicContact CG2-CB 3.89Å; T989-Q1006 PolarHBondContact N-O 2.7Å; T989-Q1006 PolarHBondContact OG1-N 3.31Å
990	E	83.6	Confident	75.8	Confident	163 Å²	163	90 Å²	90	76%	0.762	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-52.5	154.7	157.5	-76.3	-53.4	143.8	0	0	111.4	R1005	E990-R1005 WeakPolarHBondContact O-CB 3.01Å
991	W	84.1	Confident	76.1	Confident	48 Å²	48	86.2 Å²	86.2	18%	0.182	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-65.7	132.3	168.7	-68.1	109.8	0	0	0	109.3	Q1003 R1005 Q1035	W991-Q1003 HydrophobicContact CB-CB 4.17Å; W991-Q1003 HydrophobicContact CB-CG 4.13Å; W991-Q1003 HydrophobicContact CD2-CG 4.07Å; W991-Q1003 HydrophobicContact CE3-CB 4.3Å; W991-Q1003 HydrophobicContact CE3-CG 3.96Å; W991-Q1003 HydrophobicContact CG-CG 4.18Å; W991-Q1003 WeakPolarHBondContact CZ3-O 3.39Å; W991-R1005 HydrophobicContact CD2-CB 4.24Å; W991-R1005 HydrophobicContact CD2-CG 4.18Å; W991-R1005 HydrophobicContact CE3-CB 3.79Å; W991-R1005 HydrophobicContact CE3-CG 3.76Å; W991-R1005 HydrophobicContact CH2-CG 3.9Å; W991-R1005 HydrophobicContact CZ2-CG 4.32Å; W991-R1005 VanDerWaalsContact CZ2-NE 3.3Å; W991-R1005 VanDerWaalsContact CZ2-NH1 3.32Å; W991-R1005 HydrophobicContact CZ3-CB 4.08Å; W991-R1005 HydrophobicContact CZ3-CG 3.58Å; W991-Q1035 HydrophobicContact CD2-CG 4.01Å; W991-Q1035 VanDerWaalsContact CE2-NE2 3.31Å; W991-Q1035 HydrophobicContact CE3-CG 4.1Å; W991-Q1035 HydrophobicContact CH2-CB 3.76Å; W991-Q1035 HydrophobicContact CH2-CG 3.57Å; W991-Q1035 HydrophobicContact CZ2-CB 3.96Å; W991-Q1035 HydrophobicContact CZ2-CG 3.43Å; W991-Q1035 VanDerWaalsContact CZ2-CG 3.43Å; W991-Q1035 HydrophobicContact CZ3-CB 4.29Å; W991-Q1035 HydrophobicContact CZ3-CG 3.91Å; W991-Q1035 VanDerWaalsContact NE1-NE2 3.13Å
992	T	83.4	Confident	76.7	Confident	63 Å²	63	87 Å²	87	39%	0.387	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-55.5	146.9	166.9	43.1	0	0	0	0	109.8	C994 Q1003 S1004	T992-C994 PolarHBondContact O-N 2.78Å; T992-Q1003 VanDerWaalsContact O-CB 3.26Å; T992-Q1003 WeakPolarHBondContact O-CB 3.35Å; T992-S1004 WeakPolarHBondContact CB-O 3.45Å; T992-S1004 PolarHBondContact N-O 3.46Å; T992-S1004 PolarHBondContact OG1-N 3.26Å; T992-S1004 PolarHBondContact OG1-O 3.12Å; T992-S1004 PolarHBondContact OG1-OG 3.38Å; T992-S1004 VanDerWaalsContact OG1-OG 3.09Å
993	P	77.8	Confident	76.9	Confident	119 Å²	119	87.1 Å²	87.1	77%	0.773	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-49	133.2	178	-27.8	34.9	0	0	0	110.6	S995	P993-S995 PolarHBondContact O-N 3.13Å
994	C	79.8	Confident	77.3	Confident	28 Å²	28	82.6 Å²	82.6	19%	0.189	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-48.5	130.3	179.8	-171.1	0	0	0	0	109.4	T992 R996 C1037	T992-C994 PolarHBondContact O-N 2.78Å; C994-R996 CarbonylContact O-C 3.55Å; C994-R996 PolarHBondContact O-N 3.13Å; C994-C1037 WeakPolarHBondContact CA-SG 3.34Å; C994-C1037 HydrophobicContact CB-CB 3.79Å; C994-C1037 WeakPolarHBondContact CB-SG 3.35Å; C994-C1037 WeakPolarHBondContact SG-CB 3.1Å; C994-C1037 CovalentContact SG-SG 2.03Å; C994-C1037 PolarHBondContact SG-SG 3.1Å
995	S	79.6	Confident	77.5	Confident	87 Å²	87	82.7 Å²	82.7	61%	0.608	44%	0.439	S	S	*	.	S	Bend	trans	-60.1	-3.3	-169.6	63.1	0	0	0	0	115.5	P993 M1002	P993-S995 PolarHBondContact O-N 3.13Å; S995-M1002 WeakPolarHBondContact CB-O 3.16Å; S995-M1002 PolarHBondContact N-O 3.31Å; S995-M1002 VanDerWaalsContact N-O 3.08Å; S995-M1002 PolarHBondContact OG-N 2.68Å; S995-M1002 PolarHBondContact OG-O 3.3Å
996	R	65.9	Low	77.7	Confident	161 Å²	161	84 Å²	84	61%	0.608	45%	0.45	S	S	*	.	S	Bend	trans	-139	134.6	169.2	-42.3	-171.2	81.8	173.3	2.5	108.5	C994 C998 K1000	C994-R996 CarbonylContact O-C 3.55Å; C994-R996 PolarHBondContact O-N 3.13Å; R996-C998 PolarHBondContact O-N 3.47Å; R996-K1000 WeakPolarHBondContact CD-O 3.12Å
997	T	61.8	Low	77.8	Confident	126 Å²	126	82.6 Å²	82.6	77%	0.773	45%	0.447	S	S	*	.	S	Bend	trans	-72.9	-15	176.3	46	0	0	0	0	113.6	G1039	T997-G1039 CarbonylContact O-C 3.43Å; T997-G1039 VanDerWaalsContact O-CA 3.31Å; T997-G1039 WeakPolarHBondContact O-CA 3.42Å
998	C	62.3	Low	77.9	Confident	73 Å²	73	80.2 Å²	80.2	49%	0.493	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	137.3	173.4	59.5	0	0	0	0	111	R996	R996-C998 PolarHBondContact O-N 3.47Å
999	G	65.1	Low	78.1	Confident	39 Å²	39	75.6 Å²	75.6	40%	0.402	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	72.9	-171.1	179	0	0	0	0	0	114.4	G1001 E1038 G1039	G999-G1001 PolarHBondContact O-N 2.81Å; G999-E1038 WeakPolarHBondContact O-CA 3.39Å; G999-G1039 PolarHBondContact N-O 2.95Å; G999-G1039 PolarHBondContact O-N 3.07Å
1000	K	75	Confident	78.3	Confident	160 Å²	160	73 Å²	73	70%	0.696	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	124.5	-171.8	-71.4	174.9	-178.5	175	0	113	R996 C1037 E1038	R996-K1000 WeakPolarHBondContact CD-O 3.12Å; K1000-C1037 WeakPolarHBondContact CA-O 3.49Å; K1000-E1038 WeakPolarHBondContact CE-OE1 3.43Å; K1000-E1038 HydrophobicContact CG-CG 3.74Å; K1000-E1038 WeakPolarHBondContact CG-OE1 3.11Å; K1000-E1038 IonicContact NZ-OE1 3.92Å
1001	G	75.5	Confident	78.1	Confident	16 Å²	16	68.7 Å²	68.7	17%	0.165	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	-167.2	173.1	0	0	0	0	0	112.2	G999 C1037	G999-G1001 PolarHBondContact O-N 2.81Å; G1001-C1037 PolarHBondContact N-O 2.91Å; G1001-C1037 PolarHBondContact O-N 3.31Å; G1001-C1037 VanDerWaalsContact O-N 3.09Å
1002	M	80.6	Confident	77.7	Confident	117 Å²	117	68.7 Å²	68.7	58%	0.576	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.1	147.4	175.5	-162.6	168.5	70.6	0	0	109.7	S995 Q1035 C1037	S995-M1002 WeakPolarHBondContact CB-O 3.16Å; S995-M1002 PolarHBondContact N-O 3.31Å; S995-M1002 VanDerWaalsContact N-O 3.08Å; S995-M1002 PolarHBondContact OG-N 2.68Å; S995-M1002 PolarHBondContact OG-O 3.3Å; M1002-Q1035 VanDerWaalsContact CG-O 3.3Å; M1002-Q1035 WeakPolarHBondContact CG-O 3.42Å; M1002-C1037 PolarHBondContact N-SG 2.75Å; M1002-C1037 VanDerWaalsContact N-SG 3.43Å
1003	Q	79.6	Confident	77.1	Confident	36 Å²	36	68.8 Å²	68.8	17%	0.168	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	142.6	177.9	55.6	-173.6	-11.3	0	0	109.8	W991 T992 Q1035 C1037	W991-Q1003 HydrophobicContact CB-CB 4.17Å; W991-Q1003 HydrophobicContact CB-CG 4.13Å; W991-Q1003 HydrophobicContact CD2-CG 4.07Å; W991-Q1003 HydrophobicContact CE3-CB 4.3Å; W991-Q1003 HydrophobicContact CE3-CG 3.96Å; W991-Q1003 HydrophobicContact CG-CG 4.18Å; W991-Q1003 WeakPolarHBondContact CZ3-O 3.39Å; T992-Q1003 VanDerWaalsContact O-CB 3.26Å; T992-Q1003 WeakPolarHBondContact O-CB 3.35Å; Q1003-Q1035 HydrophobicContact CG-CG 3.65Å; Q1003-Q1035 PolarHBondContact N-O 3.11Å; Q1003-Q1035 PolarHBondContact O-N 3.26Å; Q1003-Q1035 VanDerWaalsContact O-O 3.13Å; Q1003-C1037 HydrophobicContact CG-CB 3.99Å
1004	S	83.3	Confident	76.6	Confident	59 Å²	59	66 Å²	66	41%	0.413	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	152.2	-176.4	65.6	0	0	0	0	111.6	T992 S1033	T992-S1004 WeakPolarHBondContact CB-O 3.45Å; T992-S1004 PolarHBondContact N-O 3.46Å; T992-S1004 PolarHBondContact OG1-N 3.26Å; T992-S1004 PolarHBondContact OG1-O 3.12Å; T992-S1004 PolarHBondContact OG1-OG 3.38Å; T992-S1004 VanDerWaalsContact OG1-OG 3.09Å; S1004-S1033 CarbonylContact C-O 3.51Å; S1004-S1033 VanDerWaalsContact CA-O 3.3Å; S1004-S1033 WeakPolarHBondContact CA-O 3.38Å
1005	R	84.4	Confident	76	Confident	35 Å²	35	69.3 Å²	69.3	13%	0.132	38%	0.379	C	S	.	.			trans	-142.6	149.5	177	69.3	-174.7	175.2	-168	-2.3	110.8	M988 T989 E990 W991 V1007 A1032 S1033	M988-R1005 PolarHBondContact SD-NH1 3.36Å; T989-R1005 WeakPolarHBondContact O-CB 3.44Å; T989-R1005 WeakPolarHBondContact OG1-CA 3.39Å; T989-R1005 WeakPolarHBondContact OG1-CB 3.35Å; E990-R1005 WeakPolarHBondContact O-CB 3.01Å; W991-R1005 HydrophobicContact CD2-CB 4.24Å; W991-R1005 HydrophobicContact CD2-CG 4.18Å; W991-R1005 HydrophobicContact CE3-CB 3.79Å; W991-R1005 HydrophobicContact CE3-CG 3.76Å; W991-R1005 HydrophobicContact CH2-CG 3.9Å; W991-R1005 HydrophobicContact CZ2-CG 4.32Å; W991-R1005 VanDerWaalsContact CZ2-NE 3.3Å; W991-R1005 VanDerWaalsContact CZ2-NH1 3.32Å; W991-R1005 HydrophobicContact CZ3-CB 4.08Å; W991-R1005 HydrophobicContact CZ3-CG 3.58Å; R1005-V1007 HydrophobicContact CG-CG2 4.12Å; R1005-A1032 VanDerWaalsContact CZ-O 3.3Å; R1005-A1032 PolarHBondContact NE-O 2.98Å; R1005-A1032 PolarHBondContact NH2-O 3.25Å; R1005-S1033 PolarHBondContact N-O 3.47Å; R1005-S1033 WeakPolarHBondContact O-CA 3.46Å; R1005-S1033 VanDerWaalsContact O-CB 3.32Å; R1005-S1033 WeakPolarHBondContact O-CB 3.41Å
1006	Q	83.2	Confident	75.1	Confident	149 Å²	149	66.7 Å²	66.7	70%	0.696	37%	0.365	S	S	*	.			trans	-77.2	144.2	171	-61.5	-61.6	-23.1	0	0	109.6	M988 T989	M988-Q1006 CarbonylContact C-O 3.55Å; M988-Q1006 VanDerWaalsContact CA-O 3.23Å; M988-Q1006 WeakPolarHBondContact CA-O 3.28Å; T989-Q1006 HydrophobicContact CG2-CB 3.89Å; T989-Q1006 PolarHBondContact N-O 2.7Å; T989-Q1006 PolarHBondContact OG1-N 3.31Å
1007	V	87.6	Confident	75.4	Confident	16 Å²	16	62.3 Å²	62.3	10%	0.097	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	125.6	178.8	-178.1	0	0	0	0	108.7	W986 M987 M988 R1005 K1030 P1031	W986-V1007 HydrophobicContact CE3-CG1 3.97Å; W986-V1007 HydrophobicContact CZ3-CG1 4.43Å; M987-V1007 WeakPolarHBondContact O-CA 3.25Å; M988-V1007 HydrophobicContact CB-CG2 4.1Å; R1005-V1007 HydrophobicContact CG-CG2 4.12Å; V1007-K1030 HydrophobicContact CG1-CG 4.22Å; V1007-P1031 HydrophobicContact CG1-CB 4.11Å; V1007-P1031 HydrophobicContact CG1-CG 4.24Å
1008	A	82.8	Confident	75.9	Confident	21 Å²	21	59.7 Å²	59.7	17%	0.174	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	141.8	-177	0	0	0	0	0	111.5	M987	M987-A1008 PolarHBondContact N-O 3.49Å; M987-A1008 PolarHBondContact O-N 3.12Å
1009	C	85.8	Confident	76.7	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.007	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	127.7	166.5	-179.6	0	0	0	0	109.1	W986 A1021 R1022 E1023 C1026	W986-C1009 HydrophobicContact CE3-CB 4.06Å; W986-C1009 HydrophobicContact CH2-CB 4.23Å; W986-C1009 HydrophobicContact CZ3-CB 3.89Å; C1009-A1021 PolarHBondContact O-N 3.46Å; C1009-R1022 PolarHBondContact SG-O 3.44Å; C1009-E1023 HydrophobicContact CB-CG 4.49Å; C1009-C1026 WeakPolarHBondContact CA-SG 3.28Å; C1009-C1026 HydrophobicContact CB-CB 3.94Å; C1009-C1026 WeakPolarHBondContact CB-SG 3.48Å; C1009-C1026 WeakPolarHBondContact SG-CB 3.49Å; C1009-C1026 PolarHBondContact SG-N 3.43Å; C1009-C1026 CovalentContact SG-SG 2.03Å; C1009-C1026 PolarHBondContact SG-SG 2.87Å
1010	T	82.4	Confident	77.3	Confident	16 Å²	16	66 Å²	66	10%	0.098	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	137.2	176.9	57.9	0	0	0	0	110.9	T984 R985 M987 L1018 I1019	T984-T1010 WeakPolarHBondContact CA-O 3.44Å; R985-T1010 PolarHBondContact N-O 3.24Å; R985-T1010 PolarHBondContact O-N 2.83Å; R985-T1010 PolarHBondContact O-OG1 2.61Å; M987-T1010 HydrophobicContact CB-CG2 4.15Å; M987-T1010 HydrophobicContact CG-CG2 4.06Å; M987-T1010 WeakPolarHBondContact CG-OG1 3.04Å; T1010-L1018 HydrophobicContact CG2-CB 4.48Å; T1010-I1019 CarbonylContact C-O 3.57Å; T1010-I1019 WeakPolarHBondContact CA-O 3.4Å; T1010-I1019 WeakPolarHBondContact CB-O 3.09Å
1011	Q	79.9	Confident	77.6	Confident	73 Å²	73	59 Å²	59	34%	0.341	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	133.5	165	-172.8	171.3	27	0	0	108.3	T984 I1019 A1021	T984-Q1011 HydrophobicContact CG2-CB 3.9Å; T984-Q1011 HydrophobicContact CG2-CG 4.08Å; Q1011-I1019 HydrophobicContact CB-CG1 4.13Å; Q1011-I1019 PolarHBondContact N-O 3.22Å; Q1011-I1019 WeakPolarHBondContact O-CG1 3.49Å; Q1011-I1019 PolarHBondContact O-N 2.86Å; Q1011-A1021 HydrophobicContact CB-CB 3.98Å
1012	Q	75.1	Confident	77.8	Confident	48 Å²	48	65.9 Å²	65.9	22%	0.224	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	123.3	169	-169.2	164.1	-28.4	0	0	108.2	T936 C982 L1018	T936-Q1012 VanDerWaalsContact CB-NE2 3.3Å; T936-Q1012 PolarHBondContact OG1-NE2 3.01Å; C982-Q1012 WeakPolarHBondContact CB-O 3.26Å; C982-Q1012 PolarHBondContact SG-O 3.47Å; C982-Q1012 VanDerWaalsContact SG-O 3.4Å; Q1012-L1018 HydrophobicContact CB-CD2 3.94Å; Q1012-L1018 HydrophobicContact CG-CD2 4.25Å
1013	L	70.6	Confident	77.8	Confident	65 Å²	65	64 Å²	64	34%	0.34	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-75.5	163.2	167.2	-71.3	180	0	0	0	110	T936 N1015 G1016 T1017 I1019	T936-L1013 PolarHBondContact OG1-O 2.97Å; L1013-N1015 VanDerWaalsContact C-N 3.32Å; L1013-N1015 WeakPolarHBondContact CB-OD1 3.41Å; L1013-N1015 PolarHBondContact O-N 2.98Å; L1013-G1016 PolarHBondContact O-N 2.97Å; L1013-T1017 WeakPolarHBondContact CB-O 3.39Å; L1013-T1017 PolarHBondContact N-O 3.23Å; L1013-I1019 HydrophobicContact CD1-CD1 4.37Å; L1013-I1019 HydrophobicContact CD1-CG2 3.61Å; L1013-I1019 HydrophobicContact CD2-CD1 3.8Å; L1013-I1019 HydrophobicContact CD2-CG1 4.32Å; L1013-I1019 HydrophobicContact CG-CD1 4.05Å; L1013-I1019 HydrophobicContact CG-CG1 4.09Å; L1013-I1019 HydrophobicContact CG-CG2 4Å
1014	S	67.9	Low	77.7	Confident	60 Å²	60	71.7 Å²	71.7	42%	0.42	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-54.1	175.9	49.5	0	0	0	0	111.1	A935 T936 C937 G1016	A935-S1014 CarbonylContact C-O 3.5Å; A935-S1014 WeakPolarHBondContact CA-O 3.38Å; T936-S1014 PolarHBondContact N-O 3.08Å; T936-S1014 PolarHBondContact OG1-O 3.07Å; C937-S1014 VanDerWaalsContact O-CA 3.32Å; C937-S1014 WeakPolarHBondContact O-CA 3.4Å; C937-S1014 WeakPolarHBondContact O-CB 3.19Å; S1014-G1016 PolarHBondContact O-N 2.86Å
1015	N	66.6	Low	77.5	Confident	98 Å²	98	71.7 Å²	71.7	52%	0.524	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	9.3	176.9	77.7	-9.1	0	0	0	116.5	L1013 T1017	L1013-N1015 VanDerWaalsContact C-N 3.32Å; L1013-N1015 WeakPolarHBondContact CB-OD1 3.41Å; L1013-N1015 PolarHBondContact O-N 2.98Å; N1015-T1017 VanDerWaalsContact C-N 3.27Å; N1015-T1017 PolarHBondContact ND2-OG1 3.33Å; N1015-T1017 PolarHBondContact O-N 3.34Å; N1015-T1017 WeakPolarHBondContact OD1-CB 3.4Å; N1015-T1017 PolarHBondContact OD1-N 2.83Å; N1015-T1017 PolarHBondContact OD1-OG1 3.18Å
1016	G	62	Low	77.3	Confident	31 Å²	31	70.5 Å²	70.5	32%	0.32	35%	0.346	S	S	.	.	S	Bend	trans	80.7	-3.4	178.8	0	0	0	0	0	115.2	T936 L1013 S1014 L1018	T936-G1016 WeakPolarHBondContact OG1-CA 3.43Å; T936-G1016 PolarHBondContact OG1-N 3.22Å; L1013-G1016 PolarHBondContact O-N 2.97Å; S1014-G1016 PolarHBondContact O-N 2.86Å; G1016-L1018 PolarHBondContact O-N 3.25Å
1017	T	72.4	Confident	77	Confident	70 Å²	70	71.1 Å²	71.1	43%	0.429	35%	0.352	S	S	.	.			trans	-72	124.6	178.1	-58	0	0	0	0	110.1	L1013 N1015 I1019	L1013-T1017 WeakPolarHBondContact CB-O 3.39Å; L1013-T1017 PolarHBondContact N-O 3.23Å; N1015-T1017 VanDerWaalsContact C-N 3.27Å; N1015-T1017 PolarHBondContact ND2-OG1 3.33Å; N1015-T1017 PolarHBondContact O-N 3.34Å; N1015-T1017 WeakPolarHBondContact OD1-CB 3.4Å; N1015-T1017 PolarHBondContact OD1-N 2.83Å; N1015-T1017 PolarHBondContact OD1-OG1 3.18Å; T1017-I1019 HydrophobicContact CG2-CG2 4.36Å; T1017-I1019 PolarHBondContact O-N 3.49Å
1018	L	72.3	Confident	76.3	Confident	70 Å²	70	72.5 Å²	72.5	37%	0.366	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	107	174.7	-66.9	170.7	0	0	0	109.7	M987 T1010 Q1012 G1016	M987-L1018 HydrophobicContact CE-CD1 4.14Å; M987-L1018 HydrophobicContact CG-CD1 4.4Å; M987-L1018 HydrophobicContact SD-CD1 4.47Å; T1010-L1018 HydrophobicContact CG2-CB 4.48Å; Q1012-L1018 HydrophobicContact CB-CD2 3.94Å; Q1012-L1018 HydrophobicContact CG-CD2 4.25Å; G1016-L1018 PolarHBondContact O-N 3.25Å
1019	I	78.2	Confident	76.1	Confident	67 Å²	67	77.5 Å²	77.5	34%	0.344	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	153	172.3	61.9	167.6	0	0	0	111	T1010 Q1011 L1013 T1017 A1021	T1010-I1019 CarbonylContact C-O 3.57Å; T1010-I1019 WeakPolarHBondContact CA-O 3.4Å; T1010-I1019 WeakPolarHBondContact CB-O 3.09Å; Q1011-I1019 HydrophobicContact CB-CG1 4.13Å; Q1011-I1019 PolarHBondContact N-O 3.22Å; Q1011-I1019 WeakPolarHBondContact O-CG1 3.49Å; Q1011-I1019 PolarHBondContact O-N 2.86Å; L1013-I1019 HydrophobicContact CD1-CD1 4.37Å; L1013-I1019 HydrophobicContact CD1-CG2 3.61Å; L1013-I1019 HydrophobicContact CD2-CD1 3.8Å; L1013-I1019 HydrophobicContact CD2-CG1 4.32Å; L1013-I1019 HydrophobicContact CG-CD1 4.05Å; L1013-I1019 HydrophobicContact CG-CG1 4.09Å; L1013-I1019 HydrophobicContact CG-CG2 4Å; T1017-I1019 HydrophobicContact CG2-CG2 4.36Å; T1017-I1019 PolarHBondContact O-N 3.49Å; I1019-A1021 PolarHBondContact O-N 2.8Å
1020	R	78.9	Confident	76	Confident	178 Å²	178	82.5 Å²	82.5	67%	0.672	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	112.6	175.7	-174.2	179.8	-178.8	89.2	6.6	110.1	E1023	R1020-E1023 IonicContact NH2-OE1 3.51Å
1021	A	80.3	Confident	76.1	Confident	13 Å²	13	83.7 Å²	83.7	11%	0.107	43%	0.43	C	S	.	.			trans	-88.6	172.8	173.4	0	0	0	0	0	111.1	T984 C1009 Q1011 I1019 D1025	T984-A1021 HydrophobicContact CG2-CB 4.23Å; C1009-A1021 PolarHBondContact O-N 3.46Å; Q1011-A1021 HydrophobicContact CB-CB 3.98Å; I1019-A1021 PolarHBondContact O-N 2.8Å; A1021-D1025 HydrophobicContact CB-CB 4.43Å
1022	R	81	Confident	76.2	Confident	161 Å²	161	83.2 Å²	83.2	61%	0.608	44%	0.439	S	S	*	.			trans	-80.7	145.9	175	-50.5	166.6	169.3	157	-5.3	108.2	C1009 R1024 D1025	C1009-R1022 PolarHBondContact SG-O 3.44Å; R1022-R1024 HydrophobicContact CB-CG 4.15Å; R1022-R1024 PolarHBondContact O-N 2.82Å; R1022-D1025 WeakPolarHBondContact CA-OD2 3.44Å; R1022-D1025 WeakPolarHBondContact CB-OD2 3.34Å; R1022-D1025 WeakPolarHBondContact CG-OD2 3.45Å; R1022-D1025 PolarHBondContact N-OD2 2.9Å; R1022-D1025 WeakPolarHBondContact O-CB 3.45Å; R1022-D1025 PolarHBondContact O-N 3.03Å
1023	E	80.4	Confident	76.6	Confident	78 Å²	78	84.3 Å²	84.3	36%	0.364	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-20.2	-172.8	-67.5	-164.4	179.9	0	0	114.5	W986 C1009 R1020 K1030	W986-E1023 HydrophobicContact CH2-CB 3.74Å; W986-E1023 HydrophobicContact CH2-CG 3.8Å; W986-E1023 HydrophobicContact CZ2-CB 4.49Å; W986-E1023 HydrophobicContact CZ3-CG 4.15Å; C1009-E1023 HydrophobicContact CB-CG 4.49Å; R1020-E1023 IonicContact NH2-OE1 3.51Å; E1023-K1030 IonicContact OE1-NZ 2.66Å; E1023-K1030 PolarHBondContact OE1-NZ 2.96Å; E1023-K1030 WeakPolarHBondContact OE2-CE 3.47Å; E1023-K1030 IonicContact OE2-NZ 3.19Å; E1023-K1030 PolarHBondContact OE2-NZ 3.22Å
1024	R	77.6	Confident	77.1	Confident	196 Å²	196	83.7 Å²	83.7	74%	0.74	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-15.2	171.8	59.6	167.3	166.7	-92.2	9.1	114.8	R1022	R1022-R1024 HydrophobicContact CB-CG 4.15Å; R1022-R1024 PolarHBondContact O-N 2.82Å
1025	D	77.9	Confident	77.8	Confident	60 Å²	60	84.9 Å²	84.9	32%	0.321	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-19.5	-177	-48	-27.4	0	0	0	110.6	T984 A1021 R1022	T984-D1025 VanDerWaalsContact CB-O 3.28Å; T984-D1025 WeakPolarHBondContact CB-O 3.48Å; T984-D1025 HydrophobicContact CG2-CB 4.02Å; T984-D1025 PolarHBondContact OG1-O 3.47Å; A1021-D1025 HydrophobicContact CB-CB 4.43Å; R1022-D1025 WeakPolarHBondContact CA-OD2 3.44Å; R1022-D1025 WeakPolarHBondContact CB-OD2 3.34Å; R1022-D1025 WeakPolarHBondContact CG-OD2 3.45Å; R1022-D1025 PolarHBondContact N-OD2 2.9Å; R1022-D1025 WeakPolarHBondContact O-CB 3.45Å; R1022-D1025 PolarHBondContact O-N 3.03Å
1026	C	81.4	Confident	78.5	Confident	10 Å²	10	91 Å²	91	7%	0.068	47%	0.47	C	S	.	.	S	Bend	trans	-85.3	132.5	175.1	-77.3	0	0	0	0	112	R985 W986 C1009	R985-C1026 PolarHBondContact O-SG 3.23Å; R985-C1026 VanDerWaalsContact O-SG 3.39Å; W986-C1026 HydrophobicContact CD2-CB 4.15Å; W986-C1026 HydrophobicContact CG-CB 4.3Å; W986-C1026 HydrophobicContact CZ2-CB 4.2Å; C1009-C1026 WeakPolarHBondContact CA-SG 3.28Å; C1009-C1026 HydrophobicContact CB-CB 3.94Å; C1009-C1026 WeakPolarHBondContact CB-SG 3.48Å; C1009-C1026 WeakPolarHBondContact SG-CB 3.49Å; C1009-C1026 PolarHBondContact SG-N 3.43Å; C1009-C1026 CovalentContact SG-SG 2.03Å; C1009-C1026 PolarHBondContact SG-SG 2.87Å
1027	I	76.4	Confident	79.3	Confident	161 Å²	161	90.3 Å²	90.3	83%	0.826	46%	0.461	S	S	*	.	S	Bend	trans	-79.1	132.6	176.9	-55.9	177.1	0	0	0	109.9
1028	G	72.9	Confident	79	Confident	46 Å²	46	93 Å²	93	47%	0.474	47%	0.468	S	S	.	.	S	Bend	trans	94.4	163.8	176.3	0	0	0	0	0	115	W986	W986-G1028 PolarHBondContact NE1-O 3.14Å
1029	P	78.4	Confident	78.3	Confident	125 Å²	125	90.8 Å²	90.8	81%	0.812	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-67.8	142.6	-173.1	28.2	-35.4	0	0	0	112.6	P1031	P1029-P1031 WeakPolarHBondContact O-CD 3.32Å
1030	K	83.9	Confident	77.3	Confident	107 Å²	107	96.7 Å²	96.7	47%	0.465	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-60.7	121.9	179.4	-175.9	172.3	-170.1	171.9	0	111.5	W986 V1007 E1023	W986-K1030 HydrophobicContact CE3-CG 4.19Å; W986-K1030 HydrophobicContact CH2-CB 3.77Å; W986-K1030 HydrophobicContact CH2-CD 3.77Å; W986-K1030 HydrophobicContact CH2-CG 3.61Å; W986-K1030 HydrophobicContact CZ2-CB 3.74Å; W986-K1030 HydrophobicContact CZ2-CG 4.09Å; W986-K1030 HydrophobicContact CZ3-CB 4.27Å; W986-K1030 HydrophobicContact CZ3-CD 3.98Å; W986-K1030 HydrophobicContact CZ3-CG 3.68Å; V1007-K1030 HydrophobicContact CG1-CG 4.22Å; E1023-K1030 IonicContact OE1-NZ 2.66Å; E1023-K1030 PolarHBondContact OE1-NZ 2.96Å; E1023-K1030 WeakPolarHBondContact OE2-CE 3.47Å; E1023-K1030 IonicContact OE2-NZ 3.19Å; E1023-K1030 PolarHBondContact OE2-NZ 3.22Å
1031	P	84.1	Confident	75.9	Confident	41 Å²	41	93.2 Å²	93.2	27%	0.266	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-59.7	147	177.4	-26.8	35.1	0	0	0	113.7	W986 V1007 P1029	W986-P1031 HydrophobicContact CB-CG 3.92Å; W986-P1031 HydrophobicContact CG-CG 4.25Å; V1007-P1031 HydrophobicContact CG1-CB 4.11Å; V1007-P1031 HydrophobicContact CG1-CG 4.24Å; P1029-P1031 WeakPolarHBondContact O-CD 3.32Å
1032	A	81.3	Confident	74.9	Confident	63 Å²	63	97.6 Å²	97.6	52%	0.521	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-63.3	139.9	176.8	0	0	0	0	0	112.3	R1005	R1005-A1032 VanDerWaalsContact CZ-O 3.3Å; R1005-A1032 PolarHBondContact NE-O 2.98Å; R1005-A1032 PolarHBondContact NH2-O 3.25Å
1033	S	83.2	Confident	73.2	Confident	70 Å²	70	96.9 Å²	96.9	49%	0.49	52%	0.517	S	S	.	.	S	Bend	trans	-98.7	-3.8	-179.1	52.2	0	0	0	0	114.6	S1004 R1005	S1004-S1033 CarbonylContact C-O 3.51Å; S1004-S1033 VanDerWaalsContact CA-O 3.3Å; S1004-S1033 WeakPolarHBondContact CA-O 3.38Å; R1005-S1033 PolarHBondContact N-O 3.47Å; R1005-S1033 WeakPolarHBondContact O-CA 3.46Å; R1005-S1033 VanDerWaalsContact O-CB 3.32Å; R1005-S1033 WeakPolarHBondContact O-CB 3.41Å
1034	A	82.4	Confident	72.3	Confident	52 Å²	52	96.8 Å²	96.8	43%	0.43	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	140	177.3	0	0	0	0	0	110.6
1035	Q	81.3	Confident	71.2	Confident	85 Å²	85	91.3 Å²	91.3	40%	0.397	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	163	168.8	74.3	177.4	9.6	0	0	112.3	W991 M1002 Q1003	W991-Q1035 HydrophobicContact CD2-CG 4.01Å; W991-Q1035 VanDerWaalsContact CE2-NE2 3.31Å; W991-Q1035 HydrophobicContact CE3-CG 4.1Å; W991-Q1035 HydrophobicContact CH2-CB 3.76Å; W991-Q1035 HydrophobicContact CH2-CG 3.57Å; W991-Q1035 HydrophobicContact CZ2-CB 3.96Å; W991-Q1035 HydrophobicContact CZ2-CG 3.43Å; W991-Q1035 VanDerWaalsContact CZ2-CG 3.43Å; W991-Q1035 HydrophobicContact CZ3-CB 4.29Å; W991-Q1035 HydrophobicContact CZ3-CG 3.91Å; W991-Q1035 VanDerWaalsContact NE1-NE2 3.13Å; M1002-Q1035 VanDerWaalsContact CG-O 3.3Å; M1002-Q1035 WeakPolarHBondContact CG-O 3.42Å; Q1003-Q1035 HydrophobicContact CG-CG 3.65Å; Q1003-Q1035 PolarHBondContact N-O 3.11Å; Q1003-Q1035 PolarHBondContact O-N 3.26Å; Q1003-Q1035 VanDerWaalsContact O-O 3.13Å
1036	R	83.1	Confident	70.9	Confident	226 Å²	226	90.7 Å²	90.7	85%	0.853	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	158.9	174.8	-55.2	-175.3	-166.7	-165.2	4.3	110.4
1037	C	77.5	Confident	70.2	Confident	18 Å²	18	95.9 Å²	95.9	12%	0.122	53%	0.526	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	162.3	179	51.9	0	0	0	0	111.3	C994 K1000 G1001 M1002 Q1003	C994-C1037 WeakPolarHBondContact CA-SG 3.34Å; C994-C1037 HydrophobicContact CB-CB 3.79Å; C994-C1037 WeakPolarHBondContact CB-SG 3.35Å; C994-C1037 WeakPolarHBondContact SG-CB 3.1Å; C994-C1037 CovalentContact SG-SG 2.03Å; C994-C1037 PolarHBondContact SG-SG 3.1Å; K1000-C1037 WeakPolarHBondContact CA-O 3.49Å; G1001-C1037 PolarHBondContact N-O 2.91Å; G1001-C1037 PolarHBondContact O-N 3.31Å; G1001-C1037 VanDerWaalsContact O-N 3.09Å; M1002-C1037 PolarHBondContact N-SG 2.75Å; M1002-C1037 VanDerWaalsContact N-SG 3.43Å; Q1003-C1037 HydrophobicContact CG-CB 3.99Å
1038	E	67.1	Low	70	Confident	127 Å²	127	90.4 Å²	90.4	59%	0.593	51%	0.505	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.4	126.3	170.4	-69.4	-175.5	153.8	0	0	109.1	G999 K1000	G999-E1038 WeakPolarHBondContact O-CA 3.39Å; K1000-E1038 WeakPolarHBondContact CE-OE1 3.43Å; K1000-E1038 HydrophobicContact CG-CG 3.74Å; K1000-E1038 WeakPolarHBondContact CG-OE1 3.11Å; K1000-E1038 IonicContact NZ-OE1 3.92Å
1039	G	57.6	Low	70	Confident	22 Å²	22	89.7 Å²	89.7	23%	0.227	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	128.5	177.9	0	0	0	0	0	111.5	T997 G999	T997-G1039 CarbonylContact O-C 3.43Å; T997-G1039 VanDerWaalsContact O-CA 3.31Å; T997-G1039 WeakPolarHBondContact O-CA 3.42Å; G999-G1039 PolarHBondContact N-O 2.95Å; G999-G1039 PolarHBondContact O-N 3.07Å
1040	Q	57.6	Low	70.1	Confident	192 Å²	192	90 Å²	90	90%	0.897	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	-9.3	-152.2	-159	172.9	5.5	0	0	116.1
1041	D	48.6	Very low	70.1	Confident	104 Å²	104	88.1 Å²	88.1	56%	0.556	49%	0.487	S	S	*	.			trans	-136.8	144.5	-171.7	-149.4	-24.2	0	0	0	114.6	M1043	D1041-M1043 WeakPolarHBondContact OD1-CG 3.49Å; D1041-M1043 PolarHBondContact OD1-N 2.94Å; D1041-M1043 WeakPolarHBondContact OD2-CE 3.32Å
1042	C	59.1	Low	69.9	Low	106 Å²	106	88.9 Å²	88.9	72%	0.716	49%	0.493	S	S	*	.			trans	-143.8	37.8	-176	-76.6	0	0	0	0	111.5
1043	M	46.2	Very low	69.5	Low	145 Å²	145	92.6 Å²	92.6	71%	0.714	50%	0.5	S	S	*	.			trans	-55	140.9	176.8	-80.9	-166	-83.5	0	0	113.6	D1041 V1045	D1041-M1043 WeakPolarHBondContact OD1-CG 3.49Å; D1041-M1043 PolarHBondContact OD1-N 2.94Å; D1041-M1043 WeakPolarHBondContact OD2-CE 3.32Å; M1043-V1045 HydrophobicContact CB-CG2 4.42Å
1044	T	59.8	Low	69.4	Low	76 Å²	76	90.2 Å²	90.2	47%	0.466	48%	0.483	S	S	.	.			trans	-122.2	134	171.7	51.5	0	0	0	0	109.2	N1071	T1044-N1071 HydrophobicContact CG2-CB 4Å
1045	V	56.4	Low	69.2	Low	81 Å²	81	91.7 Å²	91.7	49%	0.491	49%	0.49	S	S	.	.			trans	-132.9	147.2	-156.3	-176	0	0	0	0	111.2	M1043 T1070	M1043-V1045 HydrophobicContact CB-CG2 4.42Å; V1045-T1070 PolarHBondContact N-OG1 3.4Å; V1045-T1070 PolarHBondContact O-N 2.9Å; V1045-T1070 VanDerWaalsContact O-N 3.13Å; V1045-T1070 PolarHBondContact O-OG1 3.22Å; V1045-T1070 VanDerWaalsContact O-OG1 3.11Å
1046	W	70.7	Confident	68.8	Low	47 Å²	47	90 Å²	90	18%	0.178	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	117.5	165.6	-70.2	111.5	0	0	0	109.9	V1067 R1068 C1069 C1076 V1077 L1078 R1081	W1046-V1067 HydrophobicContact CB-CG1 4.48Å; W1046-V1067 HydrophobicContact CD2-CG1 4.45Å; W1046-V1067 HydrophobicContact CE3-CG1 3.8Å; W1046-V1067 HydrophobicContact CZ3-CG1 4.42Å; W1046-R1068 CarbonylContact C-O 3.41Å; W1046-R1068 WeakPolarHBondContact CA-O 3.47Å; W1046-C1069 HydrophobicContact CE3-CB 3.92Å; W1046-C1069 HydrophobicContact CH2-CB 4.24Å; W1046-C1069 HydrophobicContact CZ3-CB 3.72Å; W1046-C1076 HydrophobicContact CD2-CB 3.87Å; W1046-C1076 VanDerWaalsContact CE2-CB 3.43Å; W1046-C1076 HydrophobicContact CE3-CB 4.36Å; W1046-C1076 HydrophobicContact CG-CB 4.41Å; W1046-C1076 HydrophobicContact CH2-CB 4.12Å; W1046-C1076 HydrophobicContact CZ2-CB 3.57Å; W1046-C1076 HydrophobicContact CZ3-CB 4.49Å; W1046-V1077 PolarHBondContact NE1-O 3.01Å; W1046-L1078 HydrophobicContact CH2-CD2 4.33Å; W1046-L1078 HydrophobicContact CZ2-CD2 4.16Å; W1046-R1081 HydrophobicContact CD2-CB 4.28Å; W1046-R1081 HydrophobicContact CD2-CG 4.21Å; W1046-R1081 HydrophobicContact CE3-CG 4.2Å; W1046-R1081 HydrophobicContact CH2-CG 4.19Å; W1046-R1081 HydrophobicContact CZ2-CB 4.02Å; W1046-R1081 HydrophobicContact CZ2-CG 4.2Å; W1046-R1081 HydrophobicContact CZ3-CG 4.18Å
1047	E	67.3	Low	68	Low	120 Å²	120	82.9 Å²	82.9	56%	0.561	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	116.8	176	-176.8	175.2	-134.4	0	0	109	V1067 R1068 T1070	E1047-V1067 CarbonylContact O-C 3.58Å; E1047-V1067 WeakPolarHBondContact O-CA 3.37Å; E1047-R1068 PolarHBondContact N-O 2.86Å; E1047-R1068 PolarHBondContact O-N 2.92Å; E1047-T1070 HydrophobicContact CB-CG2 4.06Å
1048	A	71.5	Confident	67.5	Low	45 Å²	45	85.4 Å²	85.4	37%	0.372	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	123.5	178.4	0	0	0	0	0	110.3	V1067 P1082	A1048-V1067 HydrophobicContact CB-CG2 4Å; A1048-P1082 HydrophobicContact CB-CB 4.2Å; A1048-P1082 HydrophobicContact CB-CG 4.15Å
1049	G	73.5	Confident	67.6	Low	31 Å²	31	80 Å²	80	32%	0.32	46%	0.456	S	S	.	.			trans	-73.3	176.1	175.8	0	0	0	0	0	113.3	R1065 T1066	G1049-R1065 WeakPolarHBondContact O-CD 3.27Å; G1049-T1066 PolarHBondContact N-O 3.42Å
1050	V	81	Confident	68.4	Low	133 Å²	133	86.3 Å²	86.3	81%	0.806	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-64.5	150.7	173.8	-68	0	0	0	0	111.9	R1065	V1050-R1065 VanDerWaalsContact O-CB 3.28Å; V1050-R1065 WeakPolarHBondContact O-CB 3.49Å
1051	W	82.8	Confident	69.4	Low	67 Å²	67	77.8 Å²	77.8	25%	0.254	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-70.3	144.5	170.3	-66.9	113.5	0	0	0	111.3	R1063 H1064 R1065 R1083 E1086	W1051-R1063 HydrophobicContact CB-CG 4.49Å; W1051-R1063 HydrophobicContact CD2-CG 4.27Å; W1051-R1063 HydrophobicContact CE3-CG 3.97Å; W1051-R1063 WeakPolarHBondContact CZ3-O 3.5Å; W1051-H1064 CarbonylContact C-O 3.56Å; W1051-H1064 WeakPolarHBondContact CA-O 3.39Å; W1051-H1064 VanDerWaalsContact CE3-C 3.48Å; W1051-R1065 HydrophobicContact CD2-CB 4.07Å; W1051-R1065 HydrophobicContact CD2-CG 4.07Å; W1051-R1065 HydrophobicContact CE3-CB 3.71Å; W1051-R1065 HydrophobicContact CE3-CG 3.71Å; W1051-R1065 HydrophobicContact CH2-CG 4.03Å; W1051-R1065 HydrophobicContact CZ2-CG 4.37Å; W1051-R1065 VanDerWaalsContact CZ2-CZ 3.4Å; W1051-R1065 HydrophobicContact CZ3-CB 4.15Å; W1051-R1065 HydrophobicContact CZ3-CG 3.69Å; W1051-R1083 WeakPolarHBondContact CH2-O 3.35Å; W1051-E1086 HydrophobicContact CH2-CB 3.63Å; W1051-E1086 HydrophobicContact CZ2-CB 4.02Å; W1051-E1086 HydrophobicContact CZ3-CB 4Å
1052	S	79.8	Confident	70.9	Confident	57 Å²	57	75 Å²	75	40%	0.399	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-64.9	169.3	167.4	72.1	0	0	0	0	111.4	H1064	S1052-H1064 WeakPolarHBondContact CB-O 3.43Å; S1052-H1064 PolarHBondContact N-O 3.31Å; S1052-H1064 PolarHBondContact OG-N 3.1Å; S1052-H1064 PolarHBondContact OG-O 3.37Å
1053	E	74	Confident	71.9	Confident	141 Å²	141	74.1 Å²	74.1	66%	0.659	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-57.8	158.8	158.6	-54.9	-160.5	116.7	0	0	111.1	K1057	E1053-K1057 IonicContact OE1-NZ 2.7Å; E1053-K1057 PolarHBondContact OE1-NZ 3.46Å; E1053-K1057 IonicContact OE2-NZ 2.72Å; E1053-K1057 PolarHBondContact OE2-NZ 2.85Å
1054	C	80.8	Confident	73.6	Confident	20 Å²	20	72.2 Å²	72.2	14%	0.135	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-66.6	142.4	172.8	-161.8	0	0	0	0	110.4	V1056 C1088 D1090	C1054-V1056 PolarHBondContact O-N 3.25Å; C1054-C1088 WeakPolarHBondContact CA-SG 3.42Å; C1054-C1088 HydrophobicContact CB-CB 3.95Å; C1054-C1088 WeakPolarHBondContact CB-SG 2.86Å; C1054-C1088 WeakPolarHBondContact SG-CB 3.24Å; C1054-C1088 CovalentContact SG-SG 2.04Å; C1054-C1088 PolarHBondContact SG-SG 2.65Å; C1054-D1090 HydrophobicContact CB-CB 4.32Å
1055	S	78.6	Confident	74.6	Confident	82 Å²	82	71.6 Å²	71.6	57%	0.573	39%	0.387	S	S	*	.	S	Bend	trans	-63.9	-10.5	-177	67.5	0	0	0	0	115	G1061 V1062	S1055-G1061 WeakPolarHBondContact OG-CA 3.27Å; S1055-V1062 WeakPolarHBondContact CB-O 3.42Å; S1055-V1062 PolarHBondContact N-O 2.9Å; S1055-V1062 PolarHBondContact OG-N 3.33Å; S1055-V1062 PolarHBondContact OG-O 3.07Å
1056	V	72.4	Confident	75.6	Confident	49 Å²	49	72.4 Å²	72.4	30%	0.297	39%	0.393	S	S	.	.			trans	-132.1	156.1	172.5	-55.5	0	0	0	0	110.2	C1054 G1059 K1060	C1054-V1056 PolarHBondContact O-N 3.25Å; V1056-G1059 WeakPolarHBondContact CG2-O 3.21Å; V1056-K1060 WeakPolarHBondContact CG2-O 3.31Å
1057	K	66.9	Low	76	Confident	78 Å²	78	70.8 Å²	70.8	34%	0.339	39%	0.388	S	S	.	.	S	Bend	trans	-106.7	3.4	174.6	-56.9	-62.9	-174.3	173.9	0	113.8	E1053 D1090 K1093	E1053-K1057 IonicContact OE1-NZ 2.7Å; E1053-K1057 PolarHBondContact OE1-NZ 3.46Å; E1053-K1057 IonicContact OE2-NZ 2.72Å; E1053-K1057 PolarHBondContact OE2-NZ 2.85Å; K1057-D1090 CarbonylContact C-O 3.58Å; K1057-D1090 WeakPolarHBondContact CD-OD2 3.46Å; K1057-K1093 PolarHBondContact O-N 3.12Å
1058	C	66.1	Low	76.2	Confident	70 Å²	70	73.8 Å²	73.8	47%	0.473	39%	0.394	S	S	.	.	S	Bend	trans	-154.6	99.7	176	-177.3	0	0	0	0	109.9	D1090 C1094	C1058-D1090 CarbonylContact C-O 3.56Å; C1058-D1090 WeakPolarHBondContact CA-O 3.12Å; C1058-D1090 PolarHBondContact N-O 3.12Å; C1058-C1094 WeakPolarHBondContact CA-SG 3.33Å; C1058-C1094 HydrophobicContact CB-CB 4.25Å; C1058-C1094 WeakPolarHBondContact CB-SG 3.27Å; C1058-C1094 VanDerWaalsContact SG-CA 3.58Å; C1058-C1094 WeakPolarHBondContact SG-CB 3.32Å; C1058-C1094 CovalentContact SG-SG 2.04Å; C1058-C1094 PolarHBondContact SG-SG 2.83Å
1059	G	68.4	Low	76.2	Confident	14 Å²	14	73.3 Å²	73.3	14%	0.144	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	116.4	-161.7	179.1	0	0	0	0	0	114.5	V1056 E1089 D1090	V1056-G1059 WeakPolarHBondContact CG2-O 3.21Å; G1059-E1089 WeakPolarHBondContact O-CA 3.43Å; G1059-D1090 PolarHBondContact N-O 2.83Å; G1059-D1090 PolarHBondContact O-N 3.48Å
1060	K	75.9	Confident	75.8	Confident	155 Å²	155	75.5 Å²	75.5	67%	0.674	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	136.7	175.4	-70.8	169.5	-178.4	-71.3	0	110.9	V1056 E1089	V1056-K1060 WeakPolarHBondContact CG2-O 3.31Å; K1060-E1089 HydrophobicContact CB-CG 4.32Å; K1060-E1089 HydrophobicContact CG-CG 3.59Å; K1060-E1089 IonicContact NZ-OE1 3.13Å; K1060-E1089 PolarHBondContact NZ-OE1 3.17Å
1061	G	78	Confident	74.5	Confident	12 Å²	12	70.9 Å²	70.9	12%	0.124	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	-163.8	174.9	0	0	0	0	0	111.4	S1055 C1088	S1055-G1061 WeakPolarHBondContact OG-CA 3.27Å; G1061-C1088 VanDerWaalsContact C-SG 3.52Å; G1061-C1088 PolarHBondContact N-O 2.89Å; G1061-C1088 PolarHBondContact O-N 3.45Å; G1061-C1088 VanDerWaalsContact O-O 3.11Å
1062	V	80.4	Confident	73.1	Confident	45 Å²	45	73.7 Å²	73.7	27%	0.273	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	146.4	-179.4	-177	0	0	0	0	109.6	S1055 A1085 E1086 C1088	S1055-V1062 WeakPolarHBondContact CB-O 3.42Å; S1055-V1062 PolarHBondContact N-O 2.9Å; S1055-V1062 PolarHBondContact OG-N 3.33Å; S1055-V1062 PolarHBondContact OG-O 3.07Å; V1062-A1085 HydrophobicContact CG1-CB 4.16Å; V1062-E1086 WeakPolarHBondContact CA-O 3.42Å; V1062-E1086 WeakPolarHBondContact CG1-O 3.2Å; V1062-C1088 VanDerWaalsContact CA-SG 3.58Å; V1062-C1088 PolarHBondContact N-SG 2.89Å
1063	R	78.7	Confident	71.8	Confident	88 Å²	88	81.4 Å²	81.4	33%	0.332	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	149.1	171.4	63.6	-178.5	-175.4	-171	-2	111	W1051 A1085 E1086 C1088	W1051-R1063 HydrophobicContact CB-CG 4.49Å; W1051-R1063 HydrophobicContact CD2-CG 4.27Å; W1051-R1063 HydrophobicContact CE3-CG 3.97Å; W1051-R1063 WeakPolarHBondContact CZ3-O 3.5Å; R1063-A1085 WeakPolarHBondContact O-CA 3.24Å; R1063-E1086 HydrophobicContact CG-CB 4.29Å; R1063-E1086 IonicContact CZ-OE2 3.23Å; R1063-E1086 PolarHBondContact N-O 3.18Å; R1063-E1086 IonicContact NE-OE2 2.9Å; R1063-E1086 PolarHBondContact NE-OE2 3.33Å; R1063-E1086 IonicContact NH2-OE2 2.79Å; R1063-E1086 PolarHBondContact NH2-OE2 2.97Å; R1063-E1086 PolarHBondContact O-N 2.98Å; R1063-C1088 HydrophobicContact CG-CB 4.34Å; R1063-C1088 PolarHBondContact N-SG 3.42Å
1064	H	83.5	Confident	70.8	Confident	105 Å²	105	83.8 Å²	83.8	49%	0.486	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	151.4	-171.6	-62.4	-77.2	0	0	0	112.2	W1051 S1052 E1084	W1051-H1064 CarbonylContact C-O 3.56Å; W1051-H1064 WeakPolarHBondContact CA-O 3.39Å; W1051-H1064 VanDerWaalsContact CE3-C 3.48Å; S1052-H1064 WeakPolarHBondContact CB-O 3.43Å; S1052-H1064 PolarHBondContact N-O 3.31Å; S1052-H1064 PolarHBondContact OG-N 3.1Å; S1052-H1064 PolarHBondContact OG-O 3.37Å; H1064-E1084 CarbonylContact C-O 3.49Å; H1064-E1084 VanDerWaalsContact CA-O 3.25Å; H1064-E1084 WeakPolarHBondContact CA-O 3.48Å
1065	R	79.8	Confident	69.6	Low	63 Å²	63	90.9 Å²	90.9	24%	0.238	45%	0.45	C	S	.	.			trans	-141.5	155.8	170.7	68.7	178.5	168.8	-170.1	-12.1	112	G1049 V1050 W1051 R1083 E1084	G1049-R1065 WeakPolarHBondContact O-CD 3.27Å; V1050-R1065 VanDerWaalsContact O-CB 3.28Å; V1050-R1065 WeakPolarHBondContact O-CB 3.49Å; W1051-R1065 HydrophobicContact CD2-CB 4.07Å; W1051-R1065 HydrophobicContact CD2-CG 4.07Å; W1051-R1065 HydrophobicContact CE3-CB 3.71Å; W1051-R1065 HydrophobicContact CE3-CG 3.71Å; W1051-R1065 HydrophobicContact CH2-CG 4.03Å; W1051-R1065 HydrophobicContact CZ2-CG 4.37Å; W1051-R1065 VanDerWaalsContact CZ2-CZ 3.4Å; W1051-R1065 HydrophobicContact CZ3-CB 4.15Å; W1051-R1065 HydrophobicContact CZ3-CG 3.69Å; R1065-R1083 VanDerWaalsContact CZ-O 3.31Å; R1065-R1083 PolarHBondContact NE-O 3.21Å; R1065-R1083 PolarHBondContact NH2-O 3.38Å; R1065-E1084 PolarHBondContact N-O 3.39Å
1066	T	78.2	Confident	68.9	Low	99 Å²	99	87.9 Å²	87.9	61%	0.607	43%	0.428	S	S	*	.			trans	-80.1	142.9	172.8	47.9	0	0	0	0	111.4	G1049	G1049-T1066 PolarHBondContact N-O 3.42Å
1067	V	79.7	Confident	68.4	Low	13 Å²	13	90 Å²	90	8%	0.079	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	120.5	171	175.2	0	0	0	0	109.6	W1046 E1047 A1048 R1081 P1082 E1084	W1046-V1067 HydrophobicContact CB-CG1 4.48Å; W1046-V1067 HydrophobicContact CD2-CG1 4.45Å; W1046-V1067 HydrophobicContact CE3-CG1 3.8Å; W1046-V1067 HydrophobicContact CZ3-CG1 4.42Å; E1047-V1067 CarbonylContact O-C 3.58Å; E1047-V1067 WeakPolarHBondContact O-CA 3.37Å; A1048-V1067 HydrophobicContact CB-CG2 4Å; V1067-R1081 HydrophobicContact CG1-CG 3.93Å; V1067-P1082 HydrophobicContact CG2-CB 4.17Å; V1067-E1084 HydrophobicContact CB-CG 4.02Å; V1067-E1084 WeakPolarHBondContact CB-OE1 3.38Å; V1067-E1084 HydrophobicContact CG2-CG 3.72Å
1068	R	71.4	Confident	68.3	Low	183 Å²	183	92.9 Å²	92.9	69%	0.691	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.6	145	-179.4	-75.2	175.7	63.5	139.8	-4.4	111.4	W1046 E1047	W1046-R1068 CarbonylContact C-O 3.41Å; W1046-R1068 WeakPolarHBondContact CA-O 3.47Å; E1047-R1068 PolarHBondContact N-O 2.86Å; E1047-R1068 PolarHBondContact O-N 2.92Å
1069	C	71.1	Confident	68	Low	35 Å²	35	94.9 Å²	94.9	24%	0.236	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	127.1	166	171.7	0	0	0	0	108.3	W1046 N1071 C1076	W1046-C1069 HydrophobicContact CE3-CB 3.92Å; W1046-C1069 HydrophobicContact CH2-CB 4.24Å; W1046-C1069 HydrophobicContact CZ3-CB 3.72Å; C1069-N1071 PolarHBondContact O-N 2.87Å; C1069-C1076 VanDerWaalsContact CA-SG 3.52Å; C1069-C1076 HydrophobicContact CB-CB 3.72Å; C1069-C1076 WeakPolarHBondContact CB-SG 3.49Å; C1069-C1076 WeakPolarHBondContact SG-CB 3.48Å; C1069-C1076 CovalentContact SG-SG 2.03Å; C1069-C1076 PolarHBondContact SG-SG 3.35Å
1070	T	64.6	Low	67.9	Low	77 Å²	77	98.5 Å²	98.5	47%	0.472	49%	0.493	S	S	.	.	S	Bend	trans	-74.9	-8.3	-178.2	56.2	0	0	0	0	114	V1045 E1047 P1072	V1045-T1070 PolarHBondContact N-OG1 3.4Å; V1045-T1070 PolarHBondContact O-N 2.9Å; V1045-T1070 VanDerWaalsContact O-N 3.13Å; V1045-T1070 PolarHBondContact O-OG1 3.22Å; V1045-T1070 VanDerWaalsContact O-OG1 3.11Å; E1047-T1070 HydrophobicContact CB-CG2 4.06Å; T1070-P1072 WeakPolarHBondContact O-CD 3.29Å
1071	N	53.3	Low	68.1	Low	35 Å²	35	96.4 Å²	96.4	19%	0.187	48%	0.482	C	S	.	.			trans	-87.7	115.6	179.7	-176.5	-13.1	0	0	0	112	T1044 C1069 R1073 K1074 K1075	T1044-N1071 HydrophobicContact CG2-CB 4Å; C1069-N1071 PolarHBondContact O-N 2.87Å; N1071-R1073 PolarHBondContact O-N 2.99Å; N1071-R1073 PolarHBondContact OD1-N 2.89Å; N1071-K1074 PolarHBondContact O-N 2.96Å; N1071-K1075 PolarHBondContact ND2-O 3.09Å
1072	P	53	Low	68	Low	126 Å²	126	97.9 Å²	97.9	82%	0.818	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-13.4	179.8	26.6	-34.8	0	0	0	114.2	T1070	T1070-P1072 WeakPolarHBondContact O-CD 3.29Å
1073	R	53.6	Low	67.8	Low	219 Å²	219	105.7 Å²	105.7	83%	0.826	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	17.9	172.7	-67.2	-177.5	170.9	175.6	-3.3	113.8	N1071 K1075	N1071-R1073 PolarHBondContact O-N 2.99Å; N1071-R1073 PolarHBondContact OD1-N 2.89Å; R1073-K1075 VanDerWaalsContact C-N 3.28Å; R1073-K1075 PolarHBondContact O-N 3.41Å; R1073-K1075 VanDerWaalsContact O-N 3.12Å
1074	K	53.1	Low	67.9	Low	191 Å²	191	105 Å²	105	83%	0.83	51%	0.514	S	S	*	.			trans	54.1	29.4	170.2	-61.8	-171.8	178.1	-178.4	0	116.3	N1071	N1071-K1074 PolarHBondContact O-N 2.96Å
1075	K	54.2	Low	67.8	Low	170 Å²	170	102.3 Å²	102.3	74%	0.739	51%	0.51	S	S	*	.			trans	-106.9	79.3	172.4	-70.5	-169.5	176.1	-172.7	0	111.3	N1071 R1073	N1071-K1075 PolarHBondContact ND2-O 3.09Å; R1073-K1075 VanDerWaalsContact C-N 3.28Å; R1073-K1075 PolarHBondContact O-N 3.41Å; R1073-K1075 VanDerWaalsContact O-N 3.12Å
1076	C	64.8	Low	67.9	Low	18 Å²	18	103.3 Å²	103.3	12%	0.122	52%	0.518	C	S	.	.			trans	-113.5	146.5	160.3	-64.5	0	0	0	0	108.9	W1046 C1069 L1078	W1046-C1076 HydrophobicContact CD2-CB 3.87Å; W1046-C1076 VanDerWaalsContact CE2-CB 3.43Å; W1046-C1076 HydrophobicContact CE3-CB 4.36Å; W1046-C1076 HydrophobicContact CG-CB 4.41Å; W1046-C1076 HydrophobicContact CH2-CB 4.12Å; W1046-C1076 HydrophobicContact CZ2-CB 3.57Å; W1046-C1076 HydrophobicContact CZ3-CB 4.49Å; C1069-C1076 VanDerWaalsContact CA-SG 3.52Å; C1069-C1076 HydrophobicContact CB-CB 3.72Å; C1069-C1076 WeakPolarHBondContact CB-SG 3.49Å; C1069-C1076 WeakPolarHBondContact SG-CB 3.48Å; C1069-C1076 CovalentContact SG-SG 2.03Å; C1069-C1076 PolarHBondContact SG-SG 3.35Å; C1076-L1078 PolarHBondContact O-N 3.06Å
1077	V	62.2	Low	68.1	Low	95 Å²	95	105.1 Å²	105.1	58%	0.576	52%	0.523	S	S	*	.			trans	-75.3	118.8	-170.7	-178.3	0	0	0	0	110.9	W1046 S1079 T1080	W1046-V1077 PolarHBondContact NE1-O 3.01Å; V1077-S1079 VanDerWaalsContact C-N 3.31Å; V1077-S1079 WeakPolarHBondContact CG1-OG 3.44Å; V1077-S1079 PolarHBondContact O-N 2.82Å; V1077-T1080 PolarHBondContact O-N 3.38Å; V1077-T1080 PolarHBondContact O-OG1 3.08Å; V1077-T1080 VanDerWaalsContact O-OG1 3.05Å
1078	L	63.4	Low	68	Low	137 Å²	137	105.4 Å²	105.4	72%	0.717	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-63.3	-30.5	-171.8	-71.9	171.7	0	0	0	114.5	W1046 C1076 T1080 R1081	W1046-L1078 HydrophobicContact CH2-CD2 4.33Å; W1046-L1078 HydrophobicContact CZ2-CD2 4.16Å; C1076-L1078 PolarHBondContact O-N 3.06Å; L1078-T1080 PolarHBondContact O-N 3.36Å; L1078-R1081 WeakPolarHBondContact O-CB 3.24Å; L1078-R1081 PolarHBondContact O-N 2.91Å
1079	S	60.6	Low	68	Low	112 Å²	112	101.9 Å²	101.9	78%	0.783	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-68.2	-16.3	179.3	54.4	0	0	0	0	114.3	V1077	V1077-S1079 VanDerWaalsContact C-N 3.31Å; V1077-S1079 WeakPolarHBondContact CG1-OG 3.44Å; V1077-S1079 PolarHBondContact O-N 2.82Å
1080	T	67.1	Low	67.7	Low	90 Å²	90	101.8 Å²	101.8	55%	0.552	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-103.7	8.2	176.5	59.3	0	0	0	0	113.5	V1077 L1078 P1082	V1077-T1080 PolarHBondContact O-N 3.38Å; V1077-T1080 PolarHBondContact O-OG1 3.08Å; V1077-T1080 VanDerWaalsContact O-OG1 3.05Å; L1078-T1080 PolarHBondContact O-N 3.36Å; T1080-P1082 VanDerWaalsContact O-CD 3.28Å; T1080-P1082 WeakPolarHBondContact O-CD 3.45Å
1081	R	79.9	Confident	67.6	Low	112 Å²	112	102.3 Å²	102.3	42%	0.423	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-68.6	121.2	178.6	-172.1	-177	179.8	-163.8	0.6	110.8	W1046 V1067 L1078 E1084	W1046-R1081 HydrophobicContact CD2-CB 4.28Å; W1046-R1081 HydrophobicContact CD2-CG 4.21Å; W1046-R1081 HydrophobicContact CE3-CG 4.2Å; W1046-R1081 HydrophobicContact CH2-CG 4.19Å; W1046-R1081 HydrophobicContact CZ2-CB 4.02Å; W1046-R1081 HydrophobicContact CZ2-CG 4.2Å; W1046-R1081 HydrophobicContact CZ3-CG 4.18Å; V1067-R1081 HydrophobicContact CG1-CG 3.93Å; L1078-R1081 WeakPolarHBondContact O-CB 3.24Å; L1078-R1081 PolarHBondContact O-N 2.91Å; R1081-E1084 IonicContact CZ-OE1 3.48Å; R1081-E1084 IonicContact CZ-OE2 3.19Å; R1081-E1084 IonicContact NE-OE1 3.79Å; R1081-E1084 IonicContact NH2-OE1 2.74Å; R1081-E1084 PolarHBondContact NH2-OE1 3.01Å; R1081-E1084 IonicContact NH2-OE2 3.54Å; R1081-E1084 PolarHBondContact NH2-OE2 3.17Å
1082	P	76	Confident	68	Low	42 Å²	42	103.5 Å²	103.5	27%	0.273	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-61.2	148.8	174.2	-25.8	36.8	0	0	0	113.1	A1048 V1067 T1080	A1048-P1082 HydrophobicContact CB-CB 4.2Å; A1048-P1082 HydrophobicContact CB-CG 4.15Å; V1067-P1082 HydrophobicContact CG2-CB 4.17Å; T1080-P1082 VanDerWaalsContact O-CD 3.28Å; T1080-P1082 WeakPolarHBondContact O-CD 3.45Å
1083	R	75	Confident	68.5	Low	209 Å²	209	102.5 Å²	102.5	79%	0.789	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-64.1	139.2	175.9	-63.7	-176	-179	-173.1	0.2	111.5	W1051 R1065	W1051-R1083 WeakPolarHBondContact CH2-O 3.35Å; R1065-R1083 VanDerWaalsContact CZ-O 3.31Å; R1065-R1083 PolarHBondContact NE-O 3.21Å; R1065-R1083 PolarHBondContact NH2-O 3.38Å
1084	E	80.7	Confident	69.2	Low	73 Å²	73	92.4 Å²	92.4	34%	0.341	47%	0.465	S	S	.	.	S	Bend	trans	-98	-8.6	-177.7	-69.6	178.2	148.1	0	0	114.2	H1064 R1065 V1067 R1081	H1064-E1084 CarbonylContact C-O 3.49Å; H1064-E1084 VanDerWaalsContact CA-O 3.25Å; H1064-E1084 WeakPolarHBondContact CA-O 3.48Å; R1065-E1084 PolarHBondContact N-O 3.39Å; V1067-E1084 HydrophobicContact CB-CG 4.02Å; V1067-E1084 WeakPolarHBondContact CB-OE1 3.38Å; V1067-E1084 HydrophobicContact CG2-CG 3.72Å; R1081-E1084 IonicContact CZ-OE1 3.48Å; R1081-E1084 IonicContact CZ-OE2 3.19Å; R1081-E1084 IonicContact NE-OE1 3.79Å; R1081-E1084 IonicContact NH2-OE1 2.74Å; R1081-E1084 PolarHBondContact NH2-OE1 3.01Å; R1081-E1084 IonicContact NH2-OE2 3.54Å; R1081-E1084 PolarHBondContact NH2-OE2 3.17Å
1085	A	81.3	Confident	70.1	Confident	50 Å²	50	86.4 Å²	86.4	41%	0.413	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	148.9	175.5	0	0	0	0	0	110.6	V1062 R1063	V1062-A1085 HydrophobicContact CG1-CB 4.16Å; R1063-A1085 WeakPolarHBondContact O-CA 3.24Å
1086	E	83.3	Confident	70.9	Confident	84 Å²	84	81.1 Å²	81.1	39%	0.393	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	141	178.6	-174.2	179.7	-126.7	0	0	110.2	W1051 V1062 R1063	W1051-E1086 HydrophobicContact CH2-CB 3.63Å; W1051-E1086 HydrophobicContact CZ2-CB 4.02Å; W1051-E1086 HydrophobicContact CZ3-CB 4Å; V1062-E1086 WeakPolarHBondContact CA-O 3.42Å; V1062-E1086 WeakPolarHBondContact CG1-O 3.2Å; R1063-E1086 HydrophobicContact CG-CB 4.29Å; R1063-E1086 IonicContact CZ-OE2 3.23Å; R1063-E1086 PolarHBondContact N-O 3.18Å; R1063-E1086 IonicContact NE-OE2 2.9Å; R1063-E1086 PolarHBondContact NE-OE2 3.33Å; R1063-E1086 IonicContact NH2-OE2 2.79Å; R1063-E1086 PolarHBondContact NH2-OE2 2.97Å; R1063-E1086 PolarHBondContact O-N 2.98Å
1087	D	81.7	Confident	71.5	Confident	137 Å²	137	83 Å²	83	73%	0.733	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	146.7	176.7	-57.2	-41.9	0	0	0	111.3
1088	C	76.7	Confident	72	Confident	19 Å²	19	86.5 Å²	86.5	13%	0.128	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	156.2	-180	52.4	0	0	0	0	111.9	C1054 G1061 V1062 R1063	C1054-C1088 WeakPolarHBondContact CA-SG 3.42Å; C1054-C1088 HydrophobicContact CB-CB 3.95Å; C1054-C1088 WeakPolarHBondContact CB-SG 2.86Å; C1054-C1088 WeakPolarHBondContact SG-CB 3.24Å; C1054-C1088 CovalentContact SG-SG 2.04Å; C1054-C1088 PolarHBondContact SG-SG 2.65Å; G1061-C1088 VanDerWaalsContact C-SG 3.52Å; G1061-C1088 PolarHBondContact N-O 2.89Å; G1061-C1088 PolarHBondContact O-N 3.45Å; G1061-C1088 VanDerWaalsContact O-O 3.11Å; V1062-C1088 VanDerWaalsContact CA-SG 3.58Å; V1062-C1088 PolarHBondContact N-SG 2.89Å; R1063-C1088 HydrophobicContact CG-CB 4.34Å; R1063-C1088 PolarHBondContact N-SG 3.42Å
1089	E	71.8	Confident	72.4	Confident	108 Å²	108	84.9 Å²	84.9	51%	0.505	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	123.1	174.4	-73.5	-179.5	-144.8	0	0	109.3	G1059 K1060 Y1091	G1059-E1089 WeakPolarHBondContact O-CA 3.43Å; K1060-E1089 HydrophobicContact CB-CG 4.32Å; K1060-E1089 HydrophobicContact CG-CG 3.59Å; K1060-E1089 IonicContact NZ-OE1 3.13Å; K1060-E1089 PolarHBondContact NZ-OE1 3.17Å; E1089-Y1091 HydrophobicContact CB-CD2 4.45Å; E1089-Y1091 HydrophobicContact CB-CE2 3.87Å; E1089-Y1091 HydrophobicContact CG-CE2 4.42Å; E1089-Y1091 WeakPolarHBondContact OE2-CE2 3.16Å; E1089-Y1091 PolarHBondContact OE2-OH 3.49Å; E1089-Y1091 VanDerWaalsContact OE2-OH 3.11Å
1090	D	64.6	Low	72.6	Confident	34 Å²	34	81.1 Å²	81.1	18%	0.182	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	117.3	175.7	-177	-2.1	0	0	0	108.3	C1054 K1057 C1058 G1059 S1092	C1054-D1090 HydrophobicContact CB-CB 4.32Å; K1057-D1090 CarbonylContact C-O 3.58Å; K1057-D1090 WeakPolarHBondContact CD-OD2 3.46Å; C1058-D1090 CarbonylContact C-O 3.56Å; C1058-D1090 WeakPolarHBondContact CA-O 3.12Å; C1058-D1090 PolarHBondContact N-O 3.12Å; G1059-D1090 PolarHBondContact N-O 2.83Å; G1059-D1090 PolarHBondContact O-N 3.48Å; D1090-S1092 WeakPolarHBondContact OD1-CB 3.3Å; D1090-S1092 PolarHBondContact OD1-N 3.29Å; D1090-S1092 PolarHBondContact OD1-OG 3.23Å; D1090-S1092 PolarHBondContact OD2-OG 3.03Å
1091	Y	63	Low	72.8	Confident	87 Å²	87	83.9 Å²	83.9	34%	0.341	41%	0.408	S	S	.	.			trans	-112.2	12.9	177.4	-65.6	-77.3	0	0	0	112.5	E1089 K1093 H1154 I1156	E1089-Y1091 HydrophobicContact CB-CD2 4.45Å; E1089-Y1091 HydrophobicContact CB-CE2 3.87Å; E1089-Y1091 HydrophobicContact CG-CE2 4.42Å; E1089-Y1091 WeakPolarHBondContact OE2-CE2 3.16Å; E1089-Y1091 PolarHBondContact OE2-OH 3.49Å; E1089-Y1091 VanDerWaalsContact OE2-OH 3.11Å; Y1091-K1093 VanDerWaalsContact C-N 3.26Å; Y1091-K1093 PolarHBondContact O-N 2.82Å; Y1091-H1154 PolarHBondContact O-NE2 2.99Å; Y1091-I1156 HydrophobicContact CD1-CD1 3.52Å; Y1091-I1156 HydrophobicContact CE1-CD1 3.79Å; Y1091-I1156 HydrophobicContact CG-CD1 4.14Å
1092	S	62	Low	72.3	Confident	61 Å²	61	80.9 Å²	80.9	43%	0.427	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-28.8	-169.8	58.3	0	0	0	0	114.4	D1090 Y1095	D1090-S1092 WeakPolarHBondContact OD1-CB 3.3Å; D1090-S1092 PolarHBondContact OD1-N 3.29Å; D1090-S1092 PolarHBondContact OD1-OG 3.23Å; D1090-S1092 PolarHBondContact OD2-OG 3.03Å; S1092-Y1095 WeakPolarHBondContact O-CE2 3.33Å
1093	K	62.7	Low	71.4	Confident	104 Å²	104	81.6 Å²	81.6	45%	0.452	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	18.7	-174	-56.9	-161.3	166.6	-79	0	115.9	K1057 Y1091 Y1095 E1163	K1057-K1093 PolarHBondContact O-N 3.12Å; Y1091-K1093 VanDerWaalsContact C-N 3.26Å; Y1091-K1093 PolarHBondContact O-N 2.82Å; K1093-Y1095 PolarHBondContact O-N 2.66Å; K1093-E1163 VanDerWaalsContact CG-OE2 3.3Å; K1093-E1163 WeakPolarHBondContact CG-OE2 3.1Å; K1093-E1163 IonicContact NZ-OE1 2.74Å; K1093-E1163 PolarHBondContact NZ-OE1 2.86Å; K1093-E1163 IonicContact NZ-OE2 2.73Å; K1093-E1163 PolarHBondContact NZ-OE2 3.04Å
1094	C	68.9	Low	70.3	Confident	8 Å²	8	75.6 Å²	75.6	5%	0.054	38%	0.382	C	S	.	.			trans	-79.7	67.6	-176.2	-58.5	0	0	0	0	114.4	C1058 H1154 K1155	C1058-C1094 WeakPolarHBondContact CA-SG 3.33Å; C1058-C1094 HydrophobicContact CB-CB 4.25Å; C1058-C1094 WeakPolarHBondContact CB-SG 3.27Å; C1058-C1094 VanDerWaalsContact SG-CA 3.58Å; C1058-C1094 WeakPolarHBondContact SG-CB 3.32Å; C1058-C1094 CovalentContact SG-SG 2.04Å; C1058-C1094 PolarHBondContact SG-SG 2.83Å; C1094-H1154 WeakPolarHBondContact CB-NE2 3.13Å; C1094-H1154 PolarHBondContact N-NE2 3.2Å; C1094-H1154 PolarHBondContact O-CD2 2.94Å; C1094-H1154 VanDerWaalsContact O-CD2 3.3Å; C1094-K1155 HydrophobicContact CB-CB 4.41Å; C1094-K1155 VanDerWaalsContact O-CB 3.3Å; C1094-K1155 WeakPolarHBondContact O-CB 3.03Å; C1094-K1155 PolarHBondContact O-N 3.26Å
1095	Y	71.6	Confident	68.9	Low	65 Å²	65	73.6 Å²	73.6	26%	0.255	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	145.4	-178.5	-58.8	-92.7	0	0	0	113.9	S1092 K1093 M1153 H1154 E1163 C1164	S1092-Y1095 WeakPolarHBondContact O-CE2 3.33Å; K1093-Y1095 PolarHBondContact O-N 2.66Å; Y1095-M1153 WeakPolarHBondContact CA-O 3.44Å; Y1095-H1154 HydrophobicContact CD1-CB 3.79Å; Y1095-H1154 HydrophobicContact CE1-CB 3.65Å; Y1095-H1154 AromaticContact CE1-CD2 3.76Å; Y1095-H1154 AromaticContact CZ-CD2 3.75Å; Y1095-E1163 HydrophobicContact CD2-CB 3.77Å; Y1095-E1163 HydrophobicContact CD2-CG 4.28Å; Y1095-E1163 HydrophobicContact CE2-CB 4.16Å; Y1095-E1163 HydrophobicContact CE2-CG 4.16Å; Y1095-E1163 HydrophobicContact CG-CB 4.44Å; Y1095-C1164 VanDerWaalsContact CB-SG 3.53Å
1096	V	72.3	Confident	67.1	Low	59 Å²	59	77.9 Å²	77.9	36%	0.358	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	149.6	178	-75.5	0	0	0	0	112.1	M1153 K1155 C1164	V1096-M1153 PolarHBondContact N-O 2.95Å; V1096-M1153 PolarHBondContact O-N 2.74Å; V1096-K1155 HydrophobicContact CG2-CB 4.14Å; V1096-K1155 HydrophobicContact CG2-CG 4.31Å; V1096-C1164 PolarHBondContact N-SG 3.26Å; V1096-C1164 VanDerWaalsContact N-SG 3.36Å
1097	W	76.1	Confident	64.9	Low	57 Å²	57	81.7 Å²	81.7	22%	0.216	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	128.7	177.2	-66.8	111.4	0	0	0	111.9	I1150 C1152 C1164 F1165 K1169 P1170	W1097-I1150 HydrophobicContact CD2-CG2 4.32Å; W1097-I1150 HydrophobicContact CE3-CG2 3.62Å; W1097-I1150 HydrophobicContact CZ3-CG2 4.13Å; W1097-C1152 HydrophobicContact CD2-CB 4.39Å; W1097-C1152 HydrophobicContact CE3-CB 3.79Å; W1097-C1152 HydrophobicContact CH2-CB 3.99Å; W1097-C1152 HydrophobicContact CZ3-CB 3.59Å; W1097-C1164 HydrophobicContact CD2-CB 3.82Å; W1097-C1164 HydrophobicContact CE3-CB 4.49Å; W1097-C1164 HydrophobicContact CG-CB 4.14Å; W1097-C1164 HydrophobicContact CH2-CB 4.39Å; W1097-C1164 HydrophobicContact CZ2-CB 3.7Å; W1097-F1165 PolarHBondContact NE1-O 3.3Å; W1097-K1169 HydrophobicContact CD2-CB 4.47Å; W1097-K1169 HydrophobicContact CD2-CG 4.21Å; W1097-K1169 HydrophobicContact CE3-CG 4.43Å; W1097-K1169 HydrophobicContact CH2-CD 3.76Å; W1097-K1169 HydrophobicContact CH2-CG 3.96Å; W1097-K1169 HydrophobicContact CZ2-CB 3.83Å; W1097-K1169 HydrophobicContact CZ2-CD 3.77Å; W1097-K1169 HydrophobicContact CZ2-CG 3.68Å; W1097-K1169 HydrophobicContact CZ3-CD 4.37Å; W1097-K1169 HydrophobicContact CZ3-CG 4.3Å; W1097-P1170 HydrophobicContact CB-CG 4.31Å
1098	R	73	Confident	62.5	Low	169 Å²	169	83.6 Å²	83.6	64%	0.638	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	146.2	164.5	-67.7	-72.9	-171.1	146	2.6	109.1	I1150 Q1151 M1153	R1098-I1150 WeakPolarHBondContact O-CA 3.43Å; R1098-Q1151 PolarHBondContact N-O 3.32Å; R1098-Q1151 PolarHBondContact O-N 3.12Å; R1098-M1153 HydrophobicContact CB-CG 4.02Å; R1098-M1153 HydrophobicContact CG-CB 3.96Å; R1098-M1153 HydrophobicContact CG-CG 3.81Å
1099	M	71.7	Confident	60.3	Low	102 Å²	102	92.8 Å²	92.8	50%	0.502	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	134.9	178.7	-60.1	171.9	-71	0	0	108.5	R1148 I1150 P1170	M1099-R1148 PolarHBondContact SD-NH1 2.83Å; M1099-I1150 HydrophobicContact CG-CD1 4.34Å; M1099-I1150 HydrophobicContact CG-CG1 4.22Å; M1099-P1170 HydrophobicContact CG-CB 4.11Å; M1099-P1170 HydrophobicContact CG-CG 3.93Å; M1099-P1170 HydrophobicContact SD-CB 3.43Å; M1099-P1170 WeakPolarHBondContact SD-CB 3.17Å; M1099-P1170 HydrophobicContact SD-CG 3.58Å; M1099-P1170 VanDerWaalsContact SD-CG 3.58Å
1100	G	65.4	Low	58.2	Low	34 Å²	34	94.5 Å²	94.5	35%	0.351	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-178.2	161.6	0	0	0	0	0	111.7	R1148 V1149	G1100-R1148 WeakPolarHBondContact O-CD 3.06Å; G1100-V1149 PolarHBondContact N-O 2.86Å
1101	D	71.1	Confident	56.4	Low	148 Å²	148	100.4 Å²	100.4	79%	0.791	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	167.2	-178.2	-56.4	-67.4	0	0	0	113.5	R1148	D1101-R1148 WeakPolarHBondContact O-CB 3.34Å
1102	W	70.4	Confident	54.6	Low	48 Å²	48	103.7 Å²	103.7	18%	0.182	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	143.2	-179.8	-65.7	99.2	0	0	0	111.3	Q1146 S1147 R1148 A1171 R1174	W1102-Q1146 HydrophobicContact CE3-CB 3.93Å; W1102-S1147 CarbonylContact C-O 3.55Å; W1102-R1148 HydrophobicContact CD2-CB 4.01Å; W1102-R1148 HydrophobicContact CD2-CG 4.07Å; W1102-R1148 HydrophobicContact CE3-CB 3.8Å; W1102-R1148 HydrophobicContact CE3-CG 3.82Å; W1102-R1148 HydrophobicContact CG-CB 4.47Å; W1102-R1148 HydrophobicContact CH2-CG 3.87Å; W1102-R1148 HydrophobicContact CZ2-CG 4.12Å; W1102-R1148 VanDerWaalsContact CZ2-CZ 3.46Å; W1102-R1148 HydrophobicContact CZ3-CB 4.17Å; W1102-R1148 HydrophobicContact CZ3-CG 3.7Å; W1102-A1171 WeakPolarHBondContact CH2-O 3.32Å; W1102-R1174 HydrophobicContact CD2-CG 4.21Å; W1102-R1174 HydrophobicContact CE3-CG 3.99Å; W1102-R1174 HydrophobicContact CH2-CB 3.76Å; W1102-R1174 HydrophobicContact CH2-CG 3.77Å; W1102-R1174 HydrophobicContact CZ2-CB 4.21Å; W1102-R1174 HydrophobicContact CZ2-CG 3.98Å; W1102-R1174 HydrophobicContact CZ3-CB 4.08Å; W1102-R1174 HydrophobicContact CZ3-CG 3.78Å
1103	S	56.1	Low	53	Low	58 Å²	58	107.6 Å²	107.6	41%	0.406	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	165.5	-176.2	62.1	0	0	0	0	111.9	A1105 S1147	S1103-A1105 PolarHBondContact O-N 2.79Å; S1103-S1147 PolarHBondContact N-O 3.2Å; S1103-S1147 PolarHBondContact O-N 3.15Å; S1103-S1147 VanDerWaalsContact O-O 3.11Å; S1103-S1147 PolarHBondContact O-OG 2.87Å; S1103-S1147 PolarHBondContact OG-O 3.39Å
1104	K	52.3	Low	51.2	Low	83 Å²	83	111.9 Å²	111.9	36%	0.361	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-71.9	118.2	-173.4	-159.8	-179.8	-166.2	97.8	0	111.3	I1106 E1135 C1137	K1104-I1106 PolarHBondContact O-N 2.04Å; K1104-I1106 VanDerWaalsContact O-N 3.11Å; K1104-E1135 PolarHBondContact NZ-O 3.42Å; K1104-C1137 WeakPolarHBondContact CE-O 3.07Å; K1104-C1137 WeakPolarHBondContact CG-O 3.08Å; K1104-C1137 PolarHBondContact NZ-O 3.14Å
1105	A	51.3	Low	49.1	Very low	30 Å²	30	117.6 Å²	117.6	25%	0.248	59%	0.587	C	S	.	*			trans	-75.6	98.7	-174.3	0	0	0	0	0	112.8	S1103 S1147	S1103-A1105 PolarHBondContact O-N 2.79Å; A1105-S1147 WeakPolarHBondContact CA-OG 3.22Å; A1105-S1147 WeakPolarHBondContact CB-OG 3.36Å
1106	I	43.6	Very low	47.1	Very low	141 Å²	141	120.8 Å²	120.8	72%	0.723	61%	0.614	S	S	*	*			trans	-128.3	133.8	170.8	-60.4	180	0	0	0	109	K1104	K1104-I1106 PolarHBondContact O-N 2.04Å; K1104-I1106 VanDerWaalsContact O-N 3.11Å
1107	L	37.4	Very low	44.9	Very low	163 Å²	163	121.6 Å²	121.6	85%	0.853	63%	0.634	S	S	*	*			trans	-75.4	139	-168.7	-102.2	73.6	0	0	0	114.3
1108	L	30.4	Very low	42.8	Very low	177 Å²	177	129.1 Å²	129.1	93%	0.927	66%	0.663	S	S	*	*			trans	-130.1	150.9	152.6	-90.2	172.5	0	0	0	111
1109	R	30.7	Very low	40.6	Very low	212 Å²	212	125.2 Å²	125.2	80%	0.8	66%	0.66	S	S	*	*			trans	-99.7	150.2	178.4	-73.4	-179	170.9	-174.9	-2.5	110.8
1110	M	27.1	Very low	38.5	Very low	145 Å²	145	128.3 Å²	128.3	71%	0.714	67%	0.673	S	S	*	*			trans	61.8	113.6	162.5	-68	175.1	161.1	0	0	116.8
1111	I	26.8	Very low	36.9	Very low	157 Å²	157	132.5 Å²	132.5	81%	0.805	69%	0.688	S	S	*	*				-155.6	94.6	113	-86.8	141.4	0	0	0	107.1
1112	D	26.2	Very low	34.9	Very low	156 Å²	156	131 Å²	131	83%	0.834	69%	0.685	S	S	*	*				-100.9	149.6	128.8	-57.8	-67.7	0	0	0	104.2
1113	I	27.7	Very low	32.9	Very low	143 Å²	143	135.3 Å²	135.3	73%	0.733	71%	0.709	S	S	*	*			cis	-135.4	140.3	16.5	-62.6	163.7	0	0	0	108.2	D1115	I1113-D1115 HydrophobicContact CG2-CB 3.96Å
1114	M	24.1	Very low	31.6	Very low	195 Å²	195	139.8 Å²	139.8	96%	0.961	72%	0.724	S	S	*	*			trans	-133.7	89.8	156.1	-125.9	-168.5	-66	0	0	108.2
1115	D	26.6	Very low	30.2	Very low	127 Å²	127	143.4 Å²	143.4	68%	0.679	74%	0.74	S	S	*	*			trans	-104	133.7	177.8	-172	18.2	0	0	0	110	I1113	I1113-D1115 HydrophobicContact CG2-CB 3.96Å
1116	T	27.9	Very low	29	Very low	133 Å²	133	148.5 Å²	148.5	82%	0.816	76%	0.759	S	S	*	*			trans	51	115.8	-175.6	63.7	0	0	0	0	115.3
1117	G	27.1	Very low	28.2	Very low	76 Å²	76	147.9 Å²	147.9	78%	0.784	75%	0.753	S	S	*	*			cis	116.9	140.1	30.7	0	0	0	0	0	108.7
1118	R	31.8	Very low	27.7	Very low	214 Å²	214	149.1 Å²	149.1	81%	0.808	75%	0.746	S	S	*	*			cis	-166.7	128.7	12.4	170.8	-166	-64.9	-168.7	0.9	111.3
1119	C	26.6	Very low	27.5	Very low	87 Å²	87	147.6 Å²	147.6	59%	0.588	74%	0.744	S	S	*	*			trans	59.8	164.3	158.3	-59.1	0	0	0	0	117.1
1120	E	27.4	Very low	27.3	Very low	167 Å²	167	145.7 Å²	145.7	78%	0.78	74%	0.744	S	S	*	*			cis	-132	135.7	19.1	-71.3	-179.3	141.9	0	0	111.2
1121	N	32.4	Very low	27.5	Very low	123 Å²	123	146 Å²	146	66%	0.658	75%	0.748	S	S	*	*				70.2	137.6	98	-57.1	-12.1	0	0	0	115.2
1122	T	28.9	Very low	27.6	Very low	117 Å²	117	146.2 Å²	146.2	72%	0.718	75%	0.75	S	S	*	*			cis	-169.5	-179.7	-6.8	22.1	0	0	0	0	108.6
1123	I	29.2	Very low	28.4	Very low	137 Å²	137	142.6 Å²	142.6	70%	0.703	75%	0.75	S	S	*	*			trans	75.2	136.7	164.8	-48.9	-174.6	0	0	0	114.4
1124	E	27.8	Very low	29	Very low	153 Å²	153	143 Å²	143	72%	0.715	75%	0.753	S	S	*	*			cis	-170	166.9	-29.5	-100.8	139.2	-127.6	0	0	105.7
1125	F	23.7	Very low	30.3	Very low	159 Å²	159	138.9 Å²	138.9	70%	0.697	73%	0.731	S	S	*	*			cis	-144.2	174	5.8	-135.7	-165.5	0	0	0	107.8
1126	Q	25.2	Very low	31.7	Very low	136 Å²	136	137.3 Å²	137.3	64%	0.636	72%	0.72	S	S	*	*				51.7	135.9	78.3	-136.2	150	-54.5	0	0	114.7
1127	E	27.3	Very low	33.4	Very low	128 Å²	128	131.4 Å²	131.4	60%	0.598	68%	0.684	S	S	*	*			cis	-157.2	172.6	25.4	-159.5	175.1	-99.9	0	0	113.6
1128	R	26.2	Very low	35	Very low	190 Å²	190	129.6 Å²	129.6	72%	0.717	66%	0.659	S	S	*	*			trans	76.2	104.9	145.3	-160.3	179.2	-56.1	-163.9	1	121.1
1129	V	26.2	Very low	36.2	Very low	145 Å²	145	122.6 Å²	122.6	88%	0.879	64%	0.637	S	S	*	*				-137.4	125.9	124.6	-180	0	0	0	0	107.5
1130	E	28	Very low	37.7	Very low	171 Å²	171	123.4 Å²	123.4	80%	0.799	64%	0.639	S	S	*	*			trans	-110.1	163.9	168.8	-76.2	-177	116.5	0	0	110.3
1131	D	29.5	Very low	39.2	Very low	151 Å²	151	117.1 Å²	117.1	81%	0.807	61%	0.614	S	S	*	*			trans	57.4	88.4	160.3	-158.1	19.8	0	0	0	119.3
1132	L	30.8	Very low	40.7	Very low	162 Å²	162	112 Å²	112	85%	0.848	59%	0.59	S	S	*	*			trans	-143.8	109.9	136.8	-100.8	177.5	0	0	0	108.4	L1134	L1132-L1134 PolarHBondContact O-N 2.04Å; L1132-L1134 VanDerWaalsContact O-N 3.14Å
1133	G	43	Very low	42.4	Very low	80 Å²	80	114.3 Å²	114.3	83%	0.825	59%	0.59	S	S	*	*			trans	-60.2	111.5	-174.3	0	0	0	0	0	114
1134	L	40	Very low	44.1	Very low	153 Å²	153	108.2 Å²	108.2	80%	0.801	56%	0.561	S	S	*	*			trans	-125.7	125.7	179.3	-91.7	158.1	0	0	0	110.6	L1132 E1136	L1132-L1134 PolarHBondContact O-N 2.04Å; L1132-L1134 VanDerWaalsContact O-N 3.14Å; L1134-E1136 PolarHBondContact O-N 3.4Å
1135	E	50.9	Low	45.8	Very low	107 Å²	107	104.9 Å²	104.9	50%	0.5	55%	0.546	S	S	.	.			trans	-57.8	118	-171	-61.2	-176.9	148.3	0	0	113.3	K1104 C1137	K1104-E1135 PolarHBondContact NZ-O 3.42Å; E1135-C1137 PolarHBondContact O-N 2.7Å
1136	E	56.1	Low	47.9	Very low	94 Å²	94	98.1 Å²	98.1	44%	0.439	52%	0.517	S	S	.	.			trans	-67.3	0.5	-177.3	-58.5	179.8	165	0	0	115.1	L1134 Q1146 R1174	L1134-E1136 PolarHBondContact O-N 3.4Å; E1136-Q1146 PolarHBondContact O-NE2 2.99Å; E1136-Q1146 PolarHBondContact OE2-NE2 2.84Å; E1136-R1174 IonicContact OE2-NH2 3.57Å
1137	C	63.3	Low	49.8	Very low	9 Å²	9	92.6 Å²	92.6	6%	0.061	49%	0.493	C	S	.	.	S	Bend	trans	-91.3	140.5	-177.6	-163	0	0	0	0	111.3	K1104 E1135 I1139 C1176 L1178	K1104-C1137 WeakPolarHBondContact CE-O 3.07Å; K1104-C1137 WeakPolarHBondContact CG-O 3.08Å; K1104-C1137 PolarHBondContact NZ-O 3.14Å; E1135-C1137 PolarHBondContact O-N 2.7Å; C1137-I1139 PolarHBondContact O-N 2.83Å; C1137-C1176 WeakPolarHBondContact CA-SG 3.19Å; C1137-C1176 HydrophobicContact CB-CB 3.98Å; C1137-C1176 WeakPolarHBondContact CB-SG 3.44Å; C1137-C1176 WeakPolarHBondContact SG-CB 3.47Å; C1137-C1176 CovalentContact SG-SG 2.04Å; C1137-C1176 PolarHBondContact SG-SG 2.76Å; C1137-L1178 HydrophobicContact CB-CD1 4.19Å
1138	S	60.2	Low	51.7	Low	38 Å²	38	89 Å²	89	27%	0.266	47%	0.474	S	S	.	.	S	Bend	trans	-63.3	-13.5	-174.6	65.6	0	0	0	0	115.6	M1145	S1138-M1145 WeakPolarHBondContact CB-O 3.25Å; S1138-M1145 PolarHBondContact N-O 3.49Å; S1138-M1145 PolarHBondContact OG-N 3.46Å; S1138-M1145 PolarHBondContact OG-O 2.88Å
1139	I	57.6	Low	53.6	Low	67 Å²	67	83.8 Å²	83.8	34%	0.344	46%	0.464	S	S	.	.	S	Bend	trans	-139.4	163.4	177	63	-173.6	0	0	0	108.8	C1137 C1141 K1143 L1178	C1137-I1139 PolarHBondContact O-N 2.83Å; I1139-C1141 WeakPolarHBondContact CD1-O 3.35Å; I1139-C1141 WeakPolarHBondContact CG1-O 3.39Å; I1139-K1143 VanDerWaalsContact CD1-C 3.43Å; I1139-K1143 VanDerWaalsContact CD1-O 3.26Å; I1139-K1143 WeakPolarHBondContact CD1-O 3.32Å; I1139-L1178 VanDerWaalsContact O-CD1 3.26Å; I1139-L1178 WeakPolarHBondContact O-CD1 3.49Å
1140	T	58.4	Low	55.9	Low	104 Å²	104	78.1 Å²	78.1	64%	0.638	43%	0.428	S	S	*	.	S	Bend	trans	-97.8	-7.4	-177.9	49.2	0	0	0	0	114.1
1141	C	58.1	Low	57.9	Low	35 Å²	35	74 Å²	74	24%	0.236	41%	0.409	C	S	.	.	S	Bend	trans	-150	148.1	177.8	52.1	0	0	0	0	109.1	I1139 Q1179 C1181	I1139-C1141 WeakPolarHBondContact CD1-O 3.35Å; I1139-C1141 WeakPolarHBondContact CG1-O 3.39Å; C1141-Q1179 CarbonylContact C-O 3.56Å; C1141-Q1179 VanDerWaalsContact C-O 3.29Å; C1141-Q1179 WeakPolarHBondContact CA-O 3.38Å; C1141-Q1179 WeakPolarHBondContact CB-O 3.48Å; C1141-C1181 HydrophobicContact CB-CB 4.07Å; C1141-C1181 WeakPolarHBondContact CB-SG 3.26Å; C1141-C1181 PolarHBondContact O-SG 3.48Å; C1141-C1181 WeakPolarHBondContact SG-CB 3.04Å; C1141-C1181 CovalentContact SG-SG 2.03Å; C1141-C1181 PolarHBondContact SG-SG 2.97Å
1142	G	63.5	Low	60	Low	15 Å²	15	67.1 Å²	67.1	16%	0.155	37%	0.373	C	S	.	.	S	Bend	trans	83	-156.6	178.6	0	0	0	0	0	115.5	G1144 L1178 Q1179	G1142-G1144 PolarHBondContact O-N 3.48Å; G1142-L1178 WeakPolarHBondContact CA-O 3.46Å; G1142-L1178 PolarHBondContact N-O 2.88Å; G1142-L1178 VanDerWaalsContact N-O 3.15Å; G1142-L1178 PolarHBondContact O-N 3.13Å; G1142-Q1179 PolarHBondContact N-O 3.11Å
1143	K	65.9	Low	61.7	Low	167 Å²	167	61.3 Å²	61.3	73%	0.726	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	102.6	-179.5	-39.4	-158.6	170.6	-163.4	0	110.5	I1139 C1176 H1177	I1139-K1143 VanDerWaalsContact CD1-C 3.43Å; I1139-K1143 VanDerWaalsContact CD1-O 3.26Å; I1139-K1143 WeakPolarHBondContact CD1-O 3.32Å; K1143-C1176 CarbonylContact C-O 3.42Å; K1143-H1177 VanDerWaalsContact CD-NE2 3.27Å; K1143-H1177 WeakPolarHBondContact CD-NE2 3.27Å; K1143-H1177 VanDerWaalsContact CE-NE2 3.26Å; K1143-H1177 WeakPolarHBondContact CE-NE2 3.13Å; K1143-H1177 WeakPolarHBondContact CG-NE2 3.46Å
1144	G	65.4	Low	63.2	Low	9 Å²	9	58.4 Å²	58.4	9%	0.093	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-176.2	176.3	0	0	0	0	0	113.6	G1142 P1175 C1176	G1142-G1144 PolarHBondContact O-N 3.48Å; G1144-P1175 WeakPolarHBondContact O-CA 3.45Å; G1144-C1176 PolarHBondContact N-O 3.46Å; G1144-C1176 PolarHBondContact O-N 2.91Å
1145	M	63.3	Low	64.5	Low	83 Å²	83	58.3 Å²	58.3	41%	0.409	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	147.4	174.5	-159.6	89.5	89.7	0	0	110.3	S1138 Y1173 R1174 C1176	S1138-M1145 WeakPolarHBondContact CB-O 3.25Å; S1138-M1145 PolarHBondContact N-O 3.49Å; S1138-M1145 PolarHBondContact OG-N 3.46Å; S1138-M1145 PolarHBondContact OG-O 2.88Å; M1145-Y1173 HydrophobicContact CG-CD1 4.12Å; M1145-Y1173 HydrophobicContact CG-CG 4.43Å; M1145-R1174 CarbonylContact C-O 3.57Å; M1145-R1174 WeakPolarHBondContact CA-O 3.14Å; M1145-C1176 VanDerWaalsContact C-SG 3.58Å; M1145-C1176 PolarHBondContact N-SG 3.16Å
1146	Q	67.8	Low	65.1	Low	16 Å²	16	58.5 Å²	58.5	8%	0.075	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	149	165.4	-45.1	-166.1	-97	0	0	109	W1102 E1136 Y1173 R1174 C1176	W1102-Q1146 HydrophobicContact CE3-CB 3.93Å; E1136-Q1146 PolarHBondContact O-NE2 2.99Å; E1136-Q1146 PolarHBondContact OE2-NE2 2.84Å; Q1146-Y1173 CarbonylContact O-C 3.24Å; Q1146-Y1173 VanDerWaalsContact O-CA 3.24Å; Q1146-Y1173 WeakPolarHBondContact O-CA 2.88Å; Q1146-R1174 HydrophobicContact CB-CG 4.09Å; Q1146-R1174 HydrophobicContact CG-CG 4.37Å; Q1146-R1174 PolarHBondContact N-O 3.05Å; Q1146-R1174 PolarHBondContact O-N 2.73Å; Q1146-C1176 HydrophobicContact CG-CB 3.96Å; Q1146-C1176 VanDerWaalsContact CG-SG 3.55Å
1147	S	64.4	Low	65.5	Low	21 Å²	21	57.9 Å²	57.9	15%	0.147	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	149.9	178.2	53.6	0	0	0	0	111.5	W1102 S1103 A1105 A1172	W1102-S1147 CarbonylContact C-O 3.55Å; S1103-S1147 PolarHBondContact N-O 3.2Å; S1103-S1147 PolarHBondContact O-N 3.15Å; S1103-S1147 VanDerWaalsContact O-O 3.11Å; S1103-S1147 PolarHBondContact O-OG 2.87Å; S1103-S1147 PolarHBondContact OG-O 3.39Å; A1105-S1147 WeakPolarHBondContact CA-OG 3.22Å; A1105-S1147 WeakPolarHBondContact CB-OG 3.36Å; S1147-A1172 CarbonylContact C-O 3.59Å; S1147-A1172 WeakPolarHBondContact CA-O 3.1Å
1148	R	68.2	Low	65.3	Low	51 Å²	51	59.6 Å²	59.6	19%	0.192	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	150.4	169.3	62.9	176.3	170.1	177.5	-0.9	111.7	M1099 G1100 D1101 W1102 I1150 A1171 A1172	M1099-R1148 PolarHBondContact SD-NH1 2.83Å; G1100-R1148 WeakPolarHBondContact O-CD 3.06Å; D1101-R1148 WeakPolarHBondContact O-CB 3.34Å; W1102-R1148 HydrophobicContact CD2-CB 4.01Å; W1102-R1148 HydrophobicContact CD2-CG 4.07Å; W1102-R1148 HydrophobicContact CE3-CB 3.8Å; W1102-R1148 HydrophobicContact CE3-CG 3.82Å; W1102-R1148 HydrophobicContact CG-CB 4.47Å; W1102-R1148 HydrophobicContact CH2-CG 3.87Å; W1102-R1148 HydrophobicContact CZ2-CG 4.12Å; W1102-R1148 VanDerWaalsContact CZ2-CZ 3.46Å; W1102-R1148 HydrophobicContact CZ3-CB 4.17Å; W1102-R1148 HydrophobicContact CZ3-CG 3.7Å; R1148-I1150 HydrophobicContact CG-CD1 4.23Å; R1148-I1150 HydrophobicContact CG-CG1 4.08Å; R1148-A1171 PolarHBondContact NE-O 2.91Å; R1148-A1171 PolarHBondContact NH2-O 3.09Å; R1148-A1172 PolarHBondContact N-O 2.74Å
1149	V	65.2	Low	65.5	Low	82 Å²	82	64.8 Å²	64.8	50%	0.497	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	129.4	175.2	179.5	0	0	0	0	109.2	G1100 Q1151	G1100-V1149 PolarHBondContact N-O 2.86Å; V1149-Q1151 HydrophobicContact CG1-CG 3.83Å
1150	I	75	Confident	65.5	Low	25 Å²	25	67.4 Å²	67.4	13%	0.128	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	117.7	177.4	-61.7	-174	0	0	0	108	W1097 R1098 M1099 R1148 P1170 A1171 A1172	W1097-I1150 HydrophobicContact CD2-CG2 4.32Å; W1097-I1150 HydrophobicContact CE3-CG2 3.62Å; W1097-I1150 HydrophobicContact CZ3-CG2 4.13Å; R1098-I1150 WeakPolarHBondContact O-CA 3.43Å; M1099-I1150 HydrophobicContact CG-CD1 4.34Å; M1099-I1150 HydrophobicContact CG-CG1 4.22Å; R1148-I1150 HydrophobicContact CG-CD1 4.23Å; R1148-I1150 HydrophobicContact CG-CG1 4.08Å; I1150-P1170 HydrophobicContact CD1-CB 3.98Å; I1150-P1170 WeakPolarHBondContact CD1-O 3.33Å; I1150-A1171 WeakPolarHBondContact CD1-O 3.13Å; I1150-A1172 HydrophobicContact CD1-CB 3.94Å; I1150-A1172 HydrophobicContact CG1-CB 4.42Å
1151	Q	69.1	Low	65.7	Low	85 Å²	85	63.4 Å²	63.4	40%	0.397	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.1	-172.1	-76.1	164.7	-25.3	0	0	109.8	R1098 V1149 M1153 H1160	R1098-Q1151 PolarHBondContact N-O 3.32Å; R1098-Q1151 PolarHBondContact O-N 3.12Å; V1149-Q1151 HydrophobicContact CG1-CG 3.83Å; Q1151-M1153 HydrophobicContact CB-CG 4.28Å; Q1151-H1160 PolarHBondContact NE2-CE1 3.34Å; Q1151-H1160 PolarHBondContact OE1-CE1 3.2Å
1152	C	74.8	Confident	65.9	Low	7 Å²	7	69 Å²	69	5%	0.047	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	126.6	169.3	173.4	0	0	0	0	108.3	W1097 H1160 G1161 C1164	W1097-C1152 HydrophobicContact CD2-CB 4.39Å; W1097-C1152 HydrophobicContact CE3-CB 3.79Å; W1097-C1152 HydrophobicContact CH2-CB 3.99Å; W1097-C1152 HydrophobicContact CZ3-CB 3.59Å; C1152-H1160 WeakPolarHBondContact O-CA 3.35Å; C1152-G1161 VanDerWaalsContact CB-O 3.23Å; C1152-G1161 WeakPolarHBondContact CB-O 3.43Å; C1152-G1161 PolarHBondContact O-N 3.45Å; C1152-C1164 WeakPolarHBondContact CA-SG 3.24Å; C1152-C1164 HydrophobicContact CB-CB 3.74Å; C1152-C1164 WeakPolarHBondContact CB-SG 2.96Å; C1152-C1164 WeakPolarHBondContact SG-CB 3.32Å; C1152-C1164 PolarHBondContact SG-N 3.17Å; C1152-C1164 CovalentContact SG-SG 2.03Å; C1152-C1164 PolarHBondContact SG-SG 3.12Å
1153	M	66.3	Low	65.9	Low	39 Å²	39	72.5 Å²	72.5	19%	0.192	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	135.7	-167.5	-68.9	-76.2	-92	0	0	110.3	Y1095 V1096 R1098 Q1151 K1155 G1158 R1159 H1160	Y1095-M1153 WeakPolarHBondContact CA-O 3.44Å; V1096-M1153 PolarHBondContact N-O 2.95Å; V1096-M1153 PolarHBondContact O-N 2.74Å; R1098-M1153 HydrophobicContact CB-CG 4.02Å; R1098-M1153 HydrophobicContact CG-CB 3.96Å; R1098-M1153 HydrophobicContact CG-CG 3.81Å; Q1151-M1153 HydrophobicContact CB-CG 4.28Å; M1153-K1155 PolarHBondContact O-N 2.8Å; M1153-G1158 WeakPolarHBondContact CE-O 3.29Å; M1153-R1159 CarbonylContact C-O 3.56Å; M1153-R1159 WeakPolarHBondContact CA-O 3.42Å; M1153-H1160 PolarHBondContact SD-CE1 2.93Å; M1153-H1160 PolarHBondContact SD-ND1 2.98Å
1154	H	74.1	Confident	66.3	Low	20 Å²	20	65 Å²	65	9%	0.093	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	126.1	175.4	-169.3	-101.3	0	0	0	110.4	Y1091 C1094 Y1095 I1156 T1157 G1158 R1159	Y1091-H1154 PolarHBondContact O-NE2 2.99Å; C1094-H1154 WeakPolarHBondContact CB-NE2 3.13Å; C1094-H1154 PolarHBondContact N-NE2 3.2Å; C1094-H1154 PolarHBondContact O-CD2 2.94Å; C1094-H1154 VanDerWaalsContact O-CD2 3.3Å; Y1095-H1154 HydrophobicContact CD1-CB 3.79Å; Y1095-H1154 HydrophobicContact CE1-CB 3.65Å; Y1095-H1154 AromaticContact CE1-CD2 3.76Å; Y1095-H1154 AromaticContact CZ-CD2 3.75Å; H1154-I1156 PolarHBondContact O-N 3.21Å; H1154-I1156 VanDerWaalsContact O-N 3.08Å; H1154-T1157 WeakPolarHBondContact CB-OG1 3.37Å; H1154-T1157 PolarHBondContact ND1-N 3.47Å; H1154-T1157 PolarHBondContact ND1-OG1 3.31Å; H1154-G1158 PolarHBondContact O-N 2.78Å; H1154-R1159 PolarHBondContact N-O 3.49Å
1155	K	67.6	Low	66.4	Low	151 Å²	151	72 Å²	72	66%	0.657	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-27.4	-167.1	-170.9	175.8	-180	178.9	0	114	C1094 V1096 M1153	C1094-K1155 HydrophobicContact CB-CB 4.41Å; C1094-K1155 VanDerWaalsContact O-CB 3.3Å; C1094-K1155 WeakPolarHBondContact O-CB 3.03Å; C1094-K1155 PolarHBondContact O-N 3.26Å; V1096-K1155 HydrophobicContact CG2-CB 4.14Å; V1096-K1155 HydrophobicContact CG2-CG 4.31Å; M1153-K1155 PolarHBondContact O-N 2.8Å
1156	I	63.1	Low	66.3	Low	110 Å²	110	73.1 Å²	73.1	56%	0.564	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	-43.3	-176.6	-58.3	175.5	0	0	0	111.5	Y1091 H1154	Y1091-I1156 HydrophobicContact CD1-CD1 3.52Å; Y1091-I1156 HydrophobicContact CE1-CD1 3.79Å; Y1091-I1156 HydrophobicContact CG-CD1 4.14Å; H1154-I1156 PolarHBondContact O-N 3.21Å; H1154-I1156 VanDerWaalsContact O-N 3.08Å
1157	T	65.2	Low	66	Low	82 Å²	82	77.5 Å²	77.5	50%	0.503	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-5.7	-171.8	62.7	0	0	0	0	114.7	H1154 R1159	H1154-T1157 WeakPolarHBondContact CB-OG1 3.37Å; H1154-T1157 PolarHBondContact ND1-N 3.47Å; H1154-T1157 PolarHBondContact ND1-OG1 3.31Å; T1157-R1159 PolarHBondContact O-N 3.38Å
1158	G	58.3	Low	66.1	Low	45 Å²	45	83.2 Å²	83.2	46%	0.464	44%	0.438	S	S	.	.			trans	66.1	4.1	178.1	0	0	0	0	0	115.2	M1153 H1154	M1153-G1158 WeakPolarHBondContact CE-O 3.29Å; H1154-G1158 PolarHBondContact O-N 2.78Å
1159	R	63.5	Low	66.3	Low	146 Å²	146	86.3 Å²	86.3	55%	0.551	45%	0.453	S	S	*	.			trans	-77.7	145.4	179.4	-67.5	-175.4	176.4	-175.6	-1.8	111.3	M1153 H1154 T1157	M1153-R1159 CarbonylContact C-O 3.56Å; M1153-R1159 WeakPolarHBondContact CA-O 3.42Å; H1154-R1159 PolarHBondContact N-O 3.49Å; T1157-R1159 PolarHBondContact O-N 3.38Å
1160	H	58.5	Low	66.8	Low	122 Å²	122	84 Å²	84	57%	0.565	44%	0.44	S	S	*	.	B	Isolated β-bridge	trans	-58.3	144.4	167.1	-62.1	-52.6	0	0	0	110.9	Q1151 C1152 M1153	Q1151-H1160 PolarHBondContact NE2-CE1 3.34Å; Q1151-H1160 PolarHBondContact OE1-CE1 3.2Å; C1152-H1160 WeakPolarHBondContact O-CA 3.35Å; M1153-H1160 PolarHBondContact SD-CE1 2.93Å; M1153-H1160 PolarHBondContact SD-ND1 2.98Å
1161	G	62.9	Low	66.6	Low	21 Å²	21	85.8 Å²	85.8	22%	0.216	46%	0.458	C	S	.	.			trans	-151.8	-172.1	173.5	0	0	0	0	0	110.7	C1152	C1152-G1161 VanDerWaalsContact CB-O 3.23Å; C1152-G1161 WeakPolarHBondContact CB-O 3.43Å; C1152-G1161 PolarHBondContact O-N 3.45Å
1162	N	61.5	Low	66.3	Low	152 Å²	152	83 Å²	83	81%	0.813	45%	0.45	S	S	*	.	S	Bend	trans	-139.2	8.2	-168.1	45.5	-11.5	0	0	0	113.7
1163	E	65	Low	66.1	Low	88 Å²	88	89.7 Å²	89.7	41%	0.411	48%	0.475	S	S	.	.			trans	-101.8	15.4	-177.3	-48.6	-158	126.6	0	0	114.7	K1093 Y1095	K1093-E1163 VanDerWaalsContact CG-OE2 3.3Å; K1093-E1163 WeakPolarHBondContact CG-OE2 3.1Å; K1093-E1163 IonicContact NZ-OE1 2.74Å; K1093-E1163 PolarHBondContact NZ-OE1 2.86Å; K1093-E1163 IonicContact NZ-OE2 2.73Å; K1093-E1163 PolarHBondContact NZ-OE2 3.04Å; Y1095-E1163 HydrophobicContact CD2-CB 3.77Å; Y1095-E1163 HydrophobicContact CD2-CG 4.28Å; Y1095-E1163 HydrophobicContact CE2-CB 4.16Å; Y1095-E1163 HydrophobicContact CE2-CG 4.16Å; Y1095-E1163 HydrophobicContact CG-CB 4.44Å
1164	C	73.3	Confident	66.3	Low	9 Å²	9	92.8 Å²	92.8	6%	0.061	49%	0.485	C	S	.	.	S	Bend	trans	-71.9	137.8	174.3	-60.7	0	0	0	0	110.9	Y1095 V1096 W1097 C1152 S1166	Y1095-C1164 VanDerWaalsContact CB-SG 3.53Å; V1096-C1164 PolarHBondContact N-SG 3.26Å; V1096-C1164 VanDerWaalsContact N-SG 3.36Å; W1097-C1164 HydrophobicContact CD2-CB 3.82Å; W1097-C1164 HydrophobicContact CE3-CB 4.49Å; W1097-C1164 HydrophobicContact CG-CB 4.14Å; W1097-C1164 HydrophobicContact CH2-CB 4.39Å; W1097-C1164 HydrophobicContact CZ2-CB 3.7Å; C1152-C1164 WeakPolarHBondContact CA-SG 3.24Å; C1152-C1164 HydrophobicContact CB-CB 3.74Å; C1152-C1164 WeakPolarHBondContact CB-SG 2.96Å; C1152-C1164 WeakPolarHBondContact SG-CB 3.32Å; C1152-C1164 PolarHBondContact SG-N 3.17Å; C1152-C1164 CovalentContact SG-SG 2.03Å; C1152-C1164 PolarHBondContact SG-SG 3.12Å; C1164-S1166 PolarHBondContact O-N 3.4Å
1165	F	67.4	Low	65.9	Low	156 Å²	156	96.8 Å²	96.8	68%	0.684	51%	0.512	S	S	*	.			trans	-58.2	125.2	-179.3	-80.7	-87.5	0	0	0	112.4	W1097 S1167 E1168	W1097-F1165 PolarHBondContact NE1-O 3.3Å; F1165-S1167 VanDerWaalsContact C-N 3.26Å; F1165-S1167 PolarHBondContact O-N 3.35Å; F1165-E1168 HydrophobicContact CB-CG 4.48Å; F1165-E1168 PolarHBondContact O-N 3Å; F1165-E1168 VanDerWaalsContact O-N 3.17Å
1166	S	60.5	Low	65.9	Low	108 Å²	108	90.5 Å²	90.5	76%	0.755	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-63.9	-29.5	-177.7	-54.1	0	0	0	0	113.4	C1164 E1168 K1169	C1164-S1166 PolarHBondContact O-N 3.4Å; S1166-E1168 VanDerWaalsContact C-N 3.26Å; S1166-E1168 PolarHBondContact O-N 3.47Å; S1166-K1169 VanDerWaalsContact O-CB 3.32Å; S1166-K1169 WeakPolarHBondContact O-CB 3.32Å; S1166-K1169 PolarHBondContact O-N 3.36Å
1167	S	63.3	Low	66	Low	107 Å²	107	91.5 Å²	91.5	75%	0.748	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-66.1	-25.5	176.3	46.9	0	0	0	0	113.6	F1165	F1165-S1167 VanDerWaalsContact C-N 3.26Å; F1165-S1167 PolarHBondContact O-N 3.35Å
1168	E	65.8	Low	65.8	Low	141 Å²	141	90.3 Å²	90.3	66%	0.659	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-99.9	4.9	179.3	-60.2	-175.3	165.5	0	0	112.3	F1165 S1166 P1170	F1165-E1168 HydrophobicContact CB-CG 4.48Å; F1165-E1168 PolarHBondContact O-N 3Å; F1165-E1168 VanDerWaalsContact O-N 3.17Å; S1166-E1168 VanDerWaalsContact C-N 3.26Å; S1166-E1168 PolarHBondContact O-N 3.47Å; E1168-P1170 WeakPolarHBondContact O-CD 3.4Å
1169	K	72.8	Confident	65.9	Low	116 Å²	116	96.3 Å²	96.3	50%	0.504	50%	0.496	S	S	.	.			trans	-67.2	115.9	-178.3	-172.5	175.4	-175.5	177.9	0	110	W1097 S1166	W1097-K1169 HydrophobicContact CD2-CB 4.47Å; W1097-K1169 HydrophobicContact CD2-CG 4.21Å; W1097-K1169 HydrophobicContact CE3-CG 4.43Å; W1097-K1169 HydrophobicContact CH2-CD 3.76Å; W1097-K1169 HydrophobicContact CH2-CG 3.96Å; W1097-K1169 HydrophobicContact CZ2-CB 3.83Å; W1097-K1169 HydrophobicContact CZ2-CD 3.77Å; W1097-K1169 HydrophobicContact CZ2-CG 3.68Å; W1097-K1169 HydrophobicContact CZ3-CD 4.37Å; W1097-K1169 HydrophobicContact CZ3-CG 4.3Å; S1166-K1169 VanDerWaalsContact O-CB 3.32Å; S1166-K1169 WeakPolarHBondContact O-CB 3.32Å; S1166-K1169 PolarHBondContact O-N 3.36Å
1170	P	74.3	Confident	65.8	Low	34 Å²	34	95 Å²	95	22%	0.221	51%	0.506	C	S	.	.			trans	-67.6	158.3	-177.9	-16.6	30.2	0	0	0	111.9	W1097 M1099 I1150 E1168 A1172	W1097-P1170 HydrophobicContact CB-CG 4.31Å; M1099-P1170 HydrophobicContact CG-CB 4.11Å; M1099-P1170 HydrophobicContact CG-CG 3.93Å; M1099-P1170 HydrophobicContact SD-CB 3.43Å; M1099-P1170 WeakPolarHBondContact SD-CB 3.17Å; M1099-P1170 HydrophobicContact SD-CG 3.58Å; M1099-P1170 VanDerWaalsContact SD-CG 3.58Å; I1150-P1170 HydrophobicContact CD1-CB 3.98Å; I1150-P1170 WeakPolarHBondContact CD1-O 3.33Å; E1168-P1170 WeakPolarHBondContact O-CD 3.4Å; P1170-A1172 PolarHBondContact O-N 3.48Å
1171	A	71.7	Confident	65.6	Low	63 Å²	63	92.6 Å²	92.6	52%	0.521	50%	0.502	S	S	.	.			trans	-63.5	119.9	178.1	0	0	0	0	0	111.4	W1102 R1148 I1150	W1102-A1171 WeakPolarHBondContact CH2-O 3.32Å; R1148-A1171 PolarHBondContact NE-O 2.91Å; R1148-A1171 PolarHBondContact NH2-O 3.09Å; I1150-A1171 WeakPolarHBondContact CD1-O 3.13Å
1172	A	63.4	Low	64.6	Low	27 Å²	27	99.8 Å²	99.8	22%	0.223	54%	0.536	C	S	.	.	S	Bend	trans	-81.4	-13.8	177.4	0	0	0	0	0	113.6	S1147 R1148 I1150 P1170	S1147-A1172 CarbonylContact C-O 3.59Å; S1147-A1172 WeakPolarHBondContact CA-O 3.1Å; R1148-A1172 PolarHBondContact N-O 2.74Å; I1150-A1172 HydrophobicContact CD1-CB 3.94Å; I1150-A1172 HydrophobicContact CG1-CB 4.42Å; P1170-A1172 PolarHBondContact O-N 3.48Å
1173	Y	68.8	Low	64	Low	147 Å²	147	101.3 Å²	101.3	58%	0.576	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.8	144.7	180	-59.9	-80.3	0	0	0	110.1	M1145 Q1146	M1145-Y1173 HydrophobicContact CG-CD1 4.12Å; M1145-Y1173 HydrophobicContact CG-CG 4.43Å; Q1146-Y1173 CarbonylContact O-C 3.24Å; Q1146-Y1173 VanDerWaalsContact O-CA 3.24Å; Q1146-Y1173 WeakPolarHBondContact O-CA 2.88Å
1174	R	71	Confident	62.4	Low	103 Å²	103	106.3 Å²	106.3	39%	0.389	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-137.7	145.2	168.3	72.1	177.2	-174.6	-167.2	-4	110.7	W1102 E1136 M1145 Q1146	W1102-R1174 HydrophobicContact CD2-CG 4.21Å; W1102-R1174 HydrophobicContact CE3-CG 3.99Å; W1102-R1174 HydrophobicContact CH2-CB 3.76Å; W1102-R1174 HydrophobicContact CH2-CG 3.77Å; W1102-R1174 HydrophobicContact CZ2-CB 4.21Å; W1102-R1174 HydrophobicContact CZ2-CG 3.98Å; W1102-R1174 HydrophobicContact CZ3-CB 4.08Å; W1102-R1174 HydrophobicContact CZ3-CG 3.78Å; E1136-R1174 IonicContact OE2-NH2 3.57Å; M1145-R1174 CarbonylContact C-O 3.57Å; M1145-R1174 WeakPolarHBondContact CA-O 3.14Å; Q1146-R1174 HydrophobicContact CB-CG 4.09Å; Q1146-R1174 HydrophobicContact CG-CG 4.37Å; Q1146-R1174 PolarHBondContact N-O 3.05Å; Q1146-R1174 PolarHBondContact O-N 2.73Å
1175	P	66.8	Low	60.4	Low	104 Å²	104	112.7 Å²	112.7	68%	0.675	59%	0.59	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-70.8	149	175.4	30.1	-34.9	0	0	0	111.7	G1144	G1144-P1175 WeakPolarHBondContact O-CA 3.45Å
1176	C	67.1	Low	58.5	Low	20 Å²	20	112.4 Å²	112.4	14%	0.135	60%	0.596	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.6	150.5	169	43.4	0	0	0	0	109.2	C1137 K1143 G1144 M1145 Q1146	C1137-C1176 WeakPolarHBondContact CA-SG 3.19Å; C1137-C1176 HydrophobicContact CB-CB 3.98Å; C1137-C1176 WeakPolarHBondContact CB-SG 3.44Å; C1137-C1176 WeakPolarHBondContact SG-CB 3.47Å; C1137-C1176 CovalentContact SG-SG 2.04Å; C1137-C1176 PolarHBondContact SG-SG 2.76Å; K1143-C1176 CarbonylContact C-O 3.42Å; G1144-C1176 PolarHBondContact N-O 3.46Å; G1144-C1176 PolarHBondContact O-N 2.91Å; M1145-C1176 VanDerWaalsContact C-SG 3.58Å; M1145-C1176 PolarHBondContact N-SG 3.16Å; Q1146-C1176 HydrophobicContact CG-CB 3.96Å; Q1146-C1176 VanDerWaalsContact CG-SG 3.55Å
1177	H	65.5	Low	57.2	Low	131 Å²	131	113.6 Å²	113.6	61%	0.606	60%	0.598	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-121.7	130.9	-180	-86.8	128.5	0	0	0	110.8	K1143	K1143-H1177 VanDerWaalsContact CD-NE2 3.27Å; K1143-H1177 WeakPolarHBondContact CD-NE2 3.27Å; K1143-H1177 VanDerWaalsContact CE-NE2 3.26Å; K1143-H1177 WeakPolarHBondContact CE-NE2 3.13Å; K1143-H1177 WeakPolarHBondContact CG-NE2 3.46Å
1178	L	61.2	Low	55.5	Low	57 Å²	57	115.4 Å²	115.4	30%	0.298	60%	0.6	S	S	.	*			trans	-127.5	169.4	168.9	-61.3	174.1	0	0	0	108.7	C1137 I1139 G1142	C1137-L1178 HydrophobicContact CB-CD1 4.19Å; I1139-L1178 VanDerWaalsContact O-CD1 3.26Å; I1139-L1178 WeakPolarHBondContact O-CD1 3.49Å; G1142-L1178 WeakPolarHBondContact CA-O 3.46Å; G1142-L1178 PolarHBondContact N-O 2.88Å; G1142-L1178 VanDerWaalsContact N-O 3.15Å; G1142-L1178 PolarHBondContact O-N 3.13Å
1179	Q	60.6	Low	53.8	Low	171 Å²	171	114.1 Å²	114.1	80%	0.799	60%	0.602	S	S	*	*	S	Bend	trans	-61.7	147.7	-176.8	-62.8	-147.1	1.9	0	0	112.2	C1141 G1142	C1141-Q1179 CarbonylContact C-O 3.56Å; C1141-Q1179 VanDerWaalsContact C-O 3.29Å; C1141-Q1179 WeakPolarHBondContact CA-O 3.38Å; C1141-Q1179 WeakPolarHBondContact CB-O 3.48Å; G1142-Q1179 PolarHBondContact N-O 3.11Å
1180	P	60	Low	51.7	Low	119 Å²	119	116.6 Å²	116.6	77%	0.773	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-65.6	143.1	-167.8	25.2	-35	0	0	0	114.9
1181	C	55.1	Low	49.6	Very low	70 Å²	70	120.9 Å²	120.9	47%	0.473	64%	0.644	S	S	.	*	P	Polyproline II helix	trans	-82.4	152.3	173.9	-47.6	0	0	0	0	112.4	C1141	C1141-C1181 HydrophobicContact CB-CB 4.07Å; C1141-C1181 WeakPolarHBondContact CB-SG 3.26Å; C1141-C1181 PolarHBondContact O-SG 3.48Å; C1141-C1181 WeakPolarHBondContact SG-CB 3.04Å; C1141-C1181 CovalentContact SG-SG 2.03Å; C1141-C1181 PolarHBondContact SG-SG 2.97Å
1182	N	42.4	Very low	47.6	Very low	173 Å²	173	122.4 Å²	122.4	93%	0.925	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-90.9	149.7	166.6	-99.4	-31.3	0	0	0	112
1183	E	47.5	Very low	46.2	Very low	183 Å²	183	126 Å²	126	86%	0.855	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-85.7	134.5	-174.2	-58.8	-175.5	151.1	0	0	114.1
1184	K	32.3	Very low	44.5	Very low	194 Å²	194	128.4 Å²	128.4	84%	0.843	68%	0.68	S	S	*	*			trans	-174.4	124.9	136.6	-103.5	155.8	-173.6	174.2	0	114.6
1185	I	31.2	Very low	42.5	Very low	142 Å²	142	130 Å²	130	73%	0.728	70%	0.695	S	S	*	*			trans	79.7	115.1	140.1	-65.6	169.5	0	0	0	120.6
1186	N	27.5	Very low	40.6	Very low	151 Å²	151	128.7 Å²	128.7	81%	0.807	69%	0.694	S	S	*	*			trans	64.6	126	145.1	-70.6	-8.3	0	0	0	124.8
1187	V	32.8	Very low	38.8	Very low	133 Å²	133	131.1 Å²	131.1	81%	0.806	72%	0.715	S	S	*	*			trans	-68.9	144.2	151.7	175.5	0	0	0	0	110.8
1188	N	28.6	Very low	37.2	Very low	145 Å²	145	129.7 Å²	129.7	78%	0.775	71%	0.712	S	S	*	*			trans	-159	160	145.8	-120.1	-28.4	0	0	0	114.2
1189	T	28.8	Very low	36	Very low	114 Å²	114	133.6 Å²	133.6	70%	0.699	74%	0.738	S	S	*	*			trans	55	100.8	168.8	37.1	0	0	0	0	119.4
1190	I	28.8	Very low	35	Very low	167 Å²	167	135 Å²	135	86%	0.856	74%	0.742	S	S	*	*			trans	-120.7	105	139.3	-62.7	178.2	0	0	0	108
1191	T	30	Very low	34.3	Very low	125 Å²	125	139 Å²	139	77%	0.767	75%	0.747	S	S	*	*			trans	-98.1	102.2	167.8	31.4	0	0	0	0	109.9
1192	S	30.9	Very low	34.1	Very low	94 Å²	94	139 Å²	139	66%	0.657	75%	0.747	S	S	*	*			trans	-84.7	130.1	164.9	149.6	0	0	0	0	109
1193	P	33.3	Very low	34.5	Very low	103 Å²	103	139.4 Å²	139.4	67%	0.669	75%	0.748	S	S	*	*				-137.3	141.1	117	35.4	-24.7	0	0	0	114.1	L1195	P1193-L1195 PolarHBondContact O-N 3.36Å
1194	R	34	Very low	35	Very low	197 Å²	197	132 Å²	132	74%	0.743	72%	0.721	S	S	*	*			trans	-55.7	120.9	151.3	-68.8	167.8	165.5	171.4	-8.4	108.8
1195	L	29.1	Very low	36.7	Very low	136 Å²	136	124.4 Å²	124.4	71%	0.712	69%	0.69	S	S	*	*				-177.6	142.3	126	-123.8	66.6	0	0	0	111.3	P1193	P1193-L1195 PolarHBondContact O-N 3.36Å
1196	A	25.9	Very low	37.9	Very low	78 Å²	78	124.4 Å²	124.4	65%	0.645	69%	0.687	S	S	*	*			trans	65.5	148.6	158.2	0	0	0	0	0	118.7	L1241	A1196-L1241 HydrophobicContact CB-CD2 3.63Å
1197	A	29.5	Very low	39.6	Very low	70 Å²	70	123 Å²	123	58%	0.579	67%	0.67	S	S	*	*			cis	-165	169.6	-21.2	0	0	0	0	0	110.5	L1241	A1197-L1241 HydrophobicContact CB-CD2 4.35Å
1198	L	31	Very low	41.1	Very low	102 Å²	102	120.9 Å²	120.9	53%	0.534	66%	0.659	S	S	.	*			trans	59.1	126.8	151	-71.3	155.6	0	0	0	119.9
1199	T	35.9	Very low	42.9	Very low	138 Å²	138	119.9 Å²	119.9	85%	0.847	66%	0.658	S	S	*	*				-157	95.2	122.5	0.7	0	0	0	0	112.5
1200	F	40.3	Very low	44.3	Very low	202 Å²	202	122.1 Å²	122.1	89%	0.886	66%	0.655	S	S	*	*			trans	-127.5	138.1	153.5	-83	-85.1	0	0	0	106.8
1201	K	44.4	Very low	46.3	Very low	202 Å²	202	114.2 Å²	114.2	88%	0.878	61%	0.614	S	S	*	*			trans	-84.4	143.1	-175.4	-69.4	-177.7	177.2	179.4	0	111.4
1202	C	51.1	Low	48.1	Very low	70 Å²	70	115.9 Å²	115.9	47%	0.473	61%	0.606	S	S	.	*			trans	-100.4	162.6	173.8	-89.9	0	0	0	0	112.6	C1230	C1202-C1230 HydrophobicContact CB-CB 3.72Å; C1202-C1230 WeakPolarHBondContact CB-SG 3.44Å; C1202-C1230 WeakPolarHBondContact SG-CB 3.42Å; C1202-C1230 CovalentContact SG-SG 2.03Å; C1202-C1230 PolarHBondContact SG-SG 3.15Å
1203	L	51.2	Low	50	Low	181 Å²	181	114.6 Å²	114.6	95%	0.948	59%	0.594	S	S	*	*			trans	-129.2	32.4	-169.5	-67.1	167.5	0	0	0	112.9
1204	G	59.3	Low	51.8	Low	28 Å²	28	110 Å²	110	29%	0.289	56%	0.564	S	S	.	*			trans	92.7	168.5	175.7	0	0	0	0	0	116
1205	D	66	Low	53.6	Low	34 Å²	34	105.6 Å²	105.6	18%	0.182	55%	0.547	C	S	.	.			trans	-84.5	128.1	177.3	-81.4	-0.9	0	0	0	112.4	C1229 C1230 E1231 T1232	D1205-C1229 WeakPolarHBondContact OD1-CA 3.47Å; D1205-C1230 PolarHBondContact OD1-N 3.08Å; D1205-E1231 PolarHBondContact OD1-N 3.1Å; D1205-T1232 PolarHBondContact OD1-N 3.28Å; D1205-T1232 WeakPolarHBondContact OD2-CB 3.47Å; D1205-T1232 PolarHBondContact OD2-N 3.23Å; D1205-T1232 PolarHBondContact OD2-OG1 3.33Å
1206	Q	57.3	Low	55.4	Low	143 Å²	143	105.2 Å²	105.2	67%	0.668	54%	0.542	S	S	*	.	S	Bend	trans	-86	-19.6	-178.1	-69	-170.2	-8	0	0	114.4	R1228	Q1206-R1228 PolarHBondContact N-O 3.17Å
1207	W	64	Low	57.3	Low	122 Å²	122	108.4 Å²	108.4	46%	0.462	54%	0.541	S	S	.	.			trans	-143.6	62.2	-171.8	-62.1	84.3	0	0	0	112.4	W68 V1209 Y1210 C1211	W68-W1207 HydrophobicContact CD2-CZ2 4.42Å; W68-W1207 AromaticContact CE2-CE2 3.73Å; W68-W1207 AromaticContact CE2-CH2 3.82Å; W68-W1207 AromaticContact CE2-CZ2 3.55Å; W68-W1207 AromaticContact CH2-CE2 3.9Å; W68-W1207 HydrophobicContact CH2-CZ2 4.28Å; W68-W1207 AromaticContact CH2-NE1 3.54Å; W68-W1207 AromaticContact CZ2-CD1 3.74Å; W68-W1207 AromaticContact CZ2-CD2 3.62Å; W68-W1207 HydrophobicContact CZ2-CD2 3.62Å; W68-W1207 AromaticContact CZ2-CE2 3.19Å; W68-W1207 HydrophobicContact CZ2-CE3 4.24Å; W68-W1207 HydrophobicContact CZ2-CG 4.01Å; W68-W1207 HydrophobicContact CZ2-CH2 4.16Å; W68-W1207 AromaticContact CZ2-CZ2 3.52Å; W68-W1207 HydrophobicContact CZ2-CZ2 3.52Å; W68-W1207 HydrophobicContact CZ2-CZ3 4.48Å; W68-W1207 AromaticContact CZ2-NE1 3.29Å; W68-W1207 VanDerWaalsContact CZ2-NE1 3.29Å; W68-W1207 AromaticContact NE1-CE2 3.98Å; W68-W1207 AromaticContact NE1-CE3 3.94Å; W68-W1207 AromaticContact NE1-CH2 3.32Å; W68-W1207 VanDerWaalsContact NE1-CH2 3.32Å; W68-W1207 AromaticContact NE1-CZ2 3.58Å; W68-W1207 AromaticContact NE1-CZ3 3.51Å; W1207-V1209 PolarHBondContact O-N 3Å; W1207-V1209 VanDerWaalsContact O-N 3.12Å; W1207-Y1210 WeakPolarHBondContact O-CA 3.49Å; W1207-Y1210 WeakPolarHBondContact O-CB 3.4Å; W1207-Y1210 PolarHBondContact O-N 2.77Å; W1207-C1211 PolarHBondContact O-N 2.84Å; W1207-C1211 PolarHBondContact O-SG 2.03Å
1208	P	63.2	Low	58.7	Low	87 Å²	87	109.4 Å²	109.4	57%	0.565	54%	0.537	S	S	*	.	H	α-helix	trans	-55.2	-38.4	-160.8	17.5	-32	0	0	0	115.8	Y1210 C1211 R1212	P1208-Y1210 PolarHBondContact O-N 3.45Å; P1208-C1211 PolarHBondContact O-N 3.3Å; P1208-R1212 PolarHBondContact O-N 2.7Å; P1208-R1212 VanDerWaalsContact O-N 3.12Å
1209	V	66.7	Low	60.2	Low	125 Å²	125	108.6 Å²	108.6	76%	0.758	53%	0.533	S	S	*	.	H	α-helix	trans	-64	-41.6	177.1	-177.1	0	0	0	0	111.4	W1207 R1212	W1207-V1209 PolarHBondContact O-N 3Å; W1207-V1209 VanDerWaalsContact O-N 3.12Å; V1209-R1212 WeakPolarHBondContact O-CB 3.02Å; V1209-R1212 PolarHBondContact O-N 2.68Å
1210	Y	58.6	Low	61.5	Low	161 Å²	161	102 Å²	102	63%	0.631	49%	0.492	S	S	*	.	H	α-helix	trans	-72.7	-35.4	178.1	-137.2	-82	0	0	0	111.6	W1207 P1208 R1212 V1213 I1214	W1207-Y1210 WeakPolarHBondContact O-CA 3.49Å; W1207-Y1210 WeakPolarHBondContact O-CB 3.4Å; W1207-Y1210 PolarHBondContact O-N 2.77Å; P1208-Y1210 PolarHBondContact O-N 3.45Å; Y1210-R1212 VanDerWaalsContact C-N 3.28Å; Y1210-R1212 PolarHBondContact O-N 2.93Å; Y1210-V1213 PolarHBondContact O-N 3.21Å; Y1210-I1214 HydrophobicContact CD1-CD1 4.24Å; Y1210-I1214 PolarHBondContact O-N 2.69Å
1211	C	70.8	Confident	62.3	Low	0 Å²	0	97.4 Å²	97.4	0%	0	47%	0.474	C	S	.	.	H	α-helix	trans	-60.1	-36.7	174.7	-63.7	0	0	0	0	112.5	W1207 P1208 V1213 I1214 R1215 C1229 T1232	W1207-C1211 PolarHBondContact O-N 2.84Å; W1207-C1211 PolarHBondContact O-SG 2.03Å; P1208-C1211 PolarHBondContact O-N 3.3Å; C1211-V1213 PolarHBondContact O-N 3.12Å; C1211-I1214 PolarHBondContact O-N 2.93Å; C1211-R1215 PolarHBondContact O-N 3.09Å; C1211-R1215 VanDerWaalsContact O-N 3.12Å; C1211-C1229 WeakPolarHBondContact CA-SG 3.34Å; C1211-C1229 HydrophobicContact CB-CB 3.52Å; C1211-C1229 WeakPolarHBondContact CB-SG 3.46Å; C1211-C1229 VanDerWaalsContact SG-CA 3.52Å; C1211-C1229 WeakPolarHBondContact SG-CB 2.99Å; C1211-C1229 CovalentContact SG-SG 2.03Å; C1211-C1229 PolarHBondContact SG-SG 3.24Å; C1211-T1232 HydrophobicContact CB-CG2 4.1Å; C1211-T1232 VanDerWaalsContact O-CG2 3.28Å; C1211-T1232 WeakPolarHBondContact O-CG2 3.47Å
1212	R	67.8	Low	63	Low	160 Å²	160	91.2 Å²	91.2	60%	0.604	45%	0.45	S	S	*	.	H	α-helix	trans	-58.7	-45.6	174.3	-146.8	-175.1	-137.1	-167.4	3.5	111.9	P1208 V1209 Y1210 R1215 E1216	P1208-R1212 PolarHBondContact O-N 2.7Å; P1208-R1212 VanDerWaalsContact O-N 3.12Å; V1209-R1212 WeakPolarHBondContact O-CB 3.02Å; V1209-R1212 PolarHBondContact O-N 2.68Å; Y1210-R1212 VanDerWaalsContact C-N 3.28Å; Y1210-R1212 PolarHBondContact O-N 2.93Å; R1212-R1215 PolarHBondContact O-N 3.24Å; R1212-E1216 WeakPolarHBondContact O-CG 3.42Å; R1212-E1216 PolarHBondContact O-N 3.36Å
1213	V	70.4	Confident	63.1	Low	67 Å²	67	92.8 Å²	92.8	41%	0.406	45%	0.452	S	S	.	.	H	α-helix	trans	-66	-38.1	177.5	-176	0	0	0	0	111.8	Y1210 C1211 R1215 E1216 K1217	Y1210-V1213 PolarHBondContact O-N 3.21Å; C1211-V1213 PolarHBondContact O-N 3.12Å; V1213-R1215 VanDerWaalsContact C-N 3.28Å; V1213-R1215 PolarHBondContact O-N 3.02Å; V1213-E1216 PolarHBondContact O-N 3.28Å; V1213-K1217 HydrophobicContact CG1-CG 4.15Å; V1213-K1217 WeakPolarHBondContact O-CB 3.17Å; V1213-K1217 WeakPolarHBondContact O-CG 3.43Å; V1213-K1217 PolarHBondContact O-N 3.29Å
1214	I	72	Confident	63.4	Low	8 Å²	8	93.2 Å²	93.2	4%	0.041	44%	0.441	C	S	.	.	H	α-helix	trans	-59.9	-39.1	175.2	-74.5	167.2	0	0	0	111.3	Y1210 C1211 N1218 L1219 W1225	Y1210-I1214 HydrophobicContact CD1-CD1 4.24Å; Y1210-I1214 PolarHBondContact O-N 2.69Å; C1211-I1214 PolarHBondContact O-N 2.93Å; I1214-N1218 PolarHBondContact O-N 3.3Å; I1214-L1219 HydrophobicContact CG2-CB 4.15Å; I1214-L1219 PolarHBondContact O-N 2.99Å; I1214-W1225 HydrophobicContact CD1-CB 4.5Å; I1214-W1225 HydrophobicContact CD1-CD2 3.98Å; I1214-W1225 HydrophobicContact CD1-CE3 3.49Å; I1214-W1225 VanDerWaalsContact CD1-CE3 3.49Å; I1214-W1225 HydrophobicContact CD1-CG 4.41Å; I1214-W1225 HydrophobicContact CD1-CZ3 4.03Å; I1214-W1225 HydrophobicContact CG1-CE3 4.48Å; I1214-W1225 HydrophobicContact CG2-CB 3.96Å; I1214-W1225 HydrophobicContact CG2-CG 4.41Å
1215	R	70.3	Confident	63.3	Low	103 Å²	103	96.3 Å²	96.3	39%	0.389	44%	0.444	S	S	.	.	H	α-helix	trans	-69.3	-47.3	173.6	-169.5	178.4	73.7	171.2	5.3	112	C1211 R1212 V1213 K1217 N1218 T1232	C1211-R1215 PolarHBondContact O-N 3.09Å; C1211-R1215 VanDerWaalsContact O-N 3.12Å; R1212-R1215 PolarHBondContact O-N 3.24Å; V1213-R1215 VanDerWaalsContact C-N 3.28Å; V1213-R1215 PolarHBondContact O-N 3.02Å; R1215-K1217 VanDerWaalsContact C-N 3.26Å; R1215-K1217 PolarHBondContact O-N 3.19Å; R1215-N1218 PolarHBondContact O-N 3.02Å; R1215-T1232 HydrophobicContact CB-CG2 3.91Å; R1215-T1232 WeakPolarHBondContact CD-O 3.15Å
1216	E	67.9	Low	62.9	Low	128 Å²	128	96.3 Å²	96.3	60%	0.598	44%	0.441	S	S	*	.	H	α-helix	trans	-63.3	-28.5	179.1	-72.5	166.2	-164.8	0	0	113.5	R1212 V1213	R1212-E1216 WeakPolarHBondContact O-CG 3.42Å; R1212-E1216 PolarHBondContact O-N 3.36Å; V1213-E1216 PolarHBondContact O-N 3.28Å
1217	K	65.3	Low	63	Low	146 Å²	146	96.6 Å²	96.6	64%	0.635	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	7.7	172.3	-60	-56.2	-176.9	-173.3	0	113.8	V1213 R1215 L1219	V1213-K1217 HydrophobicContact CG1-CG 4.15Å; V1213-K1217 WeakPolarHBondContact O-CB 3.17Å; V1213-K1217 WeakPolarHBondContact O-CG 3.43Å; V1213-K1217 PolarHBondContact O-N 3.29Å; R1215-K1217 VanDerWaalsContact C-N 3.26Å; R1215-K1217 PolarHBondContact O-N 3.19Å; K1217-L1219 HydrophobicContact CB-CD1 4.03Å; K1217-L1219 HydrophobicContact CB-CG 3.92Å; K1217-L1219 PolarHBondContact O-N 3.04Å; K1217-L1219 VanDerWaalsContact O-N 3.14Å
1218	N	59.5	Low	62.8	Low	90 Å²	90	96.1 Å²	96.1	48%	0.481	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	21.2	177.4	-116.7	-15.8	0	0	0	114.9	I1214 R1215 C1220 F1236	I1214-N1218 PolarHBondContact O-N 3.3Å; R1215-N1218 PolarHBondContact O-N 3.02Å; N1218-C1220 VanDerWaalsContact C-N 3.27Å; N1218-C1220 PolarHBondContact O-N 3.46Å; N1218-F1236 WeakPolarHBondContact OD1-CE2 3.24Å
1219	L	61.9	Low	62.9	Low	85 Å²	85	92.2 Å²	92.2	45%	0.445	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-79.4	-6.7	-175.1	-64	177.6	0	0	0	113.5	I1214 K1217 Q1221 D1222	I1214-L1219 HydrophobicContact CG2-CB 4.15Å; I1214-L1219 PolarHBondContact O-N 2.99Å; K1217-L1219 HydrophobicContact CB-CD1 4.03Å; K1217-L1219 HydrophobicContact CB-CG 3.92Å; K1217-L1219 PolarHBondContact O-N 3.04Å; K1217-L1219 VanDerWaalsContact O-N 3.14Å; L1219-Q1221 PolarHBondContact O-N 2.65Å; L1219-D1222 PolarHBondContact O-N 3.05Å; L1219-D1222 VanDerWaalsContact O-N 3.15Å
1220	C	62.4	Low	62.9	Low	0 Å²	0	86.5 Å²	86.5	0%	0	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-55.6	-12.9	172	-67.5	0	0	0	0	114.3	N1218 D1222 C1233 F1236 Y1237	N1218-C1220 VanDerWaalsContact C-N 3.27Å; N1218-C1220 PolarHBondContact O-N 3.46Å; C1220-D1222 VanDerWaalsContact C-N 3.27Å; C1220-D1222 PolarHBondContact O-N 2.7Å; C1220-C1233 VanDerWaalsContact CA-SG 3.57Å; C1220-C1233 HydrophobicContact CB-CB 3.61Å; C1220-C1233 WeakPolarHBondContact CB-SG 3.24Å; C1220-C1233 VanDerWaalsContact SG-CA 3.52Å; C1220-C1233 WeakPolarHBondContact SG-CB 3.07Å; C1220-C1233 CovalentContact SG-SG 2.04Å; C1220-C1233 PolarHBondContact SG-SG 2.71Å; C1220-F1236 HydrophobicContact CB-CB 4.03Å; C1220-F1236 HydrophobicContact CB-CD1 3.47Å; C1220-F1236 VanDerWaalsContact CB-CD1 3.47Å; C1220-F1236 HydrophobicContact CB-CD2 4.49Å; C1220-F1236 HydrophobicContact CB-CE1 4.12Å; C1220-F1236 HydrophobicContact CB-CG 3.7Å; C1220-Y1237 WeakPolarHBondContact O-CE2 3.34Å; C1220-Y1237 PolarHBondContact O-OH 3.27Å
1221	Q	58.2	Low	63.5	Low	106 Å²	106	83.5 Å²	83.5	50%	0.495	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-70.5	-17	175.6	-67.2	-174.9	95	0	0	114.2	L1219 F1236 Y1237	L1219-Q1221 PolarHBondContact O-N 2.65Å; Q1221-F1236 HydrophobicContact CB-CE1 4.49Å; Q1221-F1236 HydrophobicContact CG-CE1 3.42Å; Q1221-F1236 VanDerWaalsContact CG-CE1 3.42Å; Q1221-F1236 HydrophobicContact CG-CE2 4.45Å; Q1221-F1236 HydrophobicContact CG-CZ 3.28Å; Q1221-Y1237 PolarHBondContact O-OH 2.04Å
1222	D	59.3	Low	63.6	Low	72 Å²	72	84.8 Å²	84.8	39%	0.385	38%	0.381	S	S	.	.	S	Bend	trans	-89.4	121.9	169.1	-173.7	-27.5	0	0	0	109.9	L1219 C1220 R1224 W1225 Y1226	L1219-D1222 PolarHBondContact O-N 3.05Å; L1219-D1222 VanDerWaalsContact O-N 3.15Å; C1220-D1222 VanDerWaalsContact C-N 3.27Å; C1220-D1222 PolarHBondContact O-N 2.7Å; D1222-R1224 PolarHBondContact O-N 2.71Å; D1222-R1224 WeakPolarHBondContact OD1-CB 3.07Å; D1222-R1224 WeakPolarHBondContact OD1-CG 3.38Å; D1222-R1224 PolarHBondContact OD1-N 2.76Å; D1222-W1225 PolarHBondContact O-N 2.9Å; D1222-Y1226 PolarHBondContact O-N 3.45Å; D1222-Y1226 VanDerWaalsContact O-N 3.16Å
1223	M	53.4	Low	63.6	Low	102 Å²	102	77.1 Å²	77.1	50%	0.502	35%	0.352	S	S	.	.	H	α-helix	trans	-56.9	-22.7	179.9	-66.4	-66.8	-71.7	0	0	113.6	Y1226 Q1227	M1223-Y1226 HydrophobicContact CE-CD1 4.41Å; M1223-Q1227 WeakPolarHBondContact O-CG 3.48Å; M1223-Q1227 PolarHBondContact O-N 2.64Å
1224	R	56.2	Low	63.5	Low	191 Å²	191	81.1 Å²	81.1	72%	0.721	36%	0.359	S	S	*	.	H	α-helix	trans	-71.3	-34.4	175.9	-64.5	176.1	176.5	178.6	1.8	113	D1222	D1222-R1224 PolarHBondContact O-N 2.71Å; D1222-R1224 WeakPolarHBondContact OD1-CB 3.07Å; D1222-R1224 WeakPolarHBondContact OD1-CG 3.38Å; D1222-R1224 PolarHBondContact OD1-N 2.76Å
1225	W	58.7	Low	62.9	Low	93 Å²	93	84.6 Å²	84.6	35%	0.352	38%	0.378	S	S	.	.	H	α-helix	trans	-78	-39.5	173.3	-66.1	125	0	0	0	110.9	I1214 D1222 Q1227 R1228 C1229	I1214-W1225 HydrophobicContact CD1-CB 4.5Å; I1214-W1225 HydrophobicContact CD1-CD2 3.98Å; I1214-W1225 HydrophobicContact CD1-CE3 3.49Å; I1214-W1225 VanDerWaalsContact CD1-CE3 3.49Å; I1214-W1225 HydrophobicContact CD1-CG 4.41Å; I1214-W1225 HydrophobicContact CD1-CZ3 4.03Å; I1214-W1225 HydrophobicContact CG1-CE3 4.48Å; I1214-W1225 HydrophobicContact CG2-CB 3.96Å; I1214-W1225 HydrophobicContact CG2-CG 4.41Å; D1222-W1225 PolarHBondContact O-N 2.9Å; W1225-Q1227 VanDerWaalsContact C-N 3.29Å; W1225-Q1227 PolarHBondContact O-N 3.48Å; W1225-R1228 PolarHBondContact O-N 2.6Å; W1225-C1229 PolarHBondContact O-N 3.26Å
1226	Y	57.7	Low	62.6	Low	33 Å²	33	81 Å²	81	13%	0.129	37%	0.366	C	S	.	.	H	α-helix	trans	-53.9	-42.8	171.8	-177.6	-102	0	0	0	112.3	D1222 M1223 R1228 C1229 C1230 C1233 Y1237	D1222-Y1226 PolarHBondContact O-N 3.45Å; D1222-Y1226 VanDerWaalsContact O-N 3.16Å; M1223-Y1226 HydrophobicContact CE-CD1 4.41Å; Y1226-R1228 PolarHBondContact O-N 2.04Å; Y1226-C1229 CarbonylContact O-C 3.41Å; Y1226-C1230 WeakPolarHBondContact O-CA 3.35Å; Y1226-C1230 WeakPolarHBondContact O-CB 3.49Å; Y1226-C1230 PolarHBondContact O-N 3.47Å; Y1226-C1230 VanDerWaalsContact O-N 3.1Å; Y1226-C1233 HydrophobicContact CD2-CB 3.78Å; Y1226-C1233 HydrophobicContact CE2-CB 4.47Å; Y1226-Y1237 AromaticContact CD2-CD2 3.57Å; Y1226-Y1237 HydrophobicContact CD2-CD2 3.57Å; Y1226-Y1237 AromaticContact CD2-CE2 3.76Å; Y1226-Y1237 HydrophobicContact CD2-CE2 3.76Å; Y1226-Y1237 AromaticContact CE2-CD2 3.69Å; Y1226-Y1237 HydrophobicContact CE2-CD2 3.69Å; Y1226-Y1237 HydrophobicContact CE2-CE2 4.3Å; Y1226-Y1237 HydrophobicContact CG-CD2 4.37Å; Y1226-Y1237 HydrophobicContact CG-CE2 4.16Å
1227	Q	57.8	Low	61.9	Low	149 Å²	149	77.8 Å²	77.8	70%	0.696	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-12.4	177.9	-78	179.9	-15.6	0	0	115.6	M1223 W1225	M1223-Q1227 WeakPolarHBondContact O-CG 3.48Å; M1223-Q1227 PolarHBondContact O-N 2.64Å; W1225-Q1227 VanDerWaalsContact C-N 3.29Å; W1225-Q1227 PolarHBondContact O-N 3.48Å
1228	R	60.1	Low	61.3	Low	113 Å²	113	72.5 Å²	72.5	43%	0.426	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-24.6	-179.7	-69	-179.8	169.6	-160.5	-5.1	113.8	W68 Q1206 W1225 Y1226	W68-R1228 VanDerWaalsContact CZ3-NH1 3.28Å; Q1206-R1228 PolarHBondContact N-O 3.17Å; W1225-R1228 PolarHBondContact O-N 2.6Å; Y1226-R1228 PolarHBondContact O-N 2.04Å
1229	C	65.9	Low	61	Low	4 Å²	4	74.6 Å²	74.6	3%	0.027	34%	0.339	C	S	.	.	S	Bend	trans	-127.9	50.5	-179.6	-66.6	0	0	0	0	109.1	D1205 C1211 W1225 Y1226 E1231 C1233	D1205-C1229 WeakPolarHBondContact OD1-CA 3.47Å; C1211-C1229 WeakPolarHBondContact CA-SG 3.34Å; C1211-C1229 HydrophobicContact CB-CB 3.52Å; C1211-C1229 WeakPolarHBondContact CB-SG 3.46Å; C1211-C1229 VanDerWaalsContact SG-CA 3.52Å; C1211-C1229 WeakPolarHBondContact SG-CB 2.99Å; C1211-C1229 CovalentContact SG-SG 2.03Å; C1211-C1229 PolarHBondContact SG-SG 3.24Å; W1225-C1229 PolarHBondContact O-N 3.26Å; Y1226-C1229 CarbonylContact O-C 3.41Å; C1229-E1231 VanDerWaalsContact C-N 3.33Å; C1229-E1231 PolarHBondContact O-N 3.47Å; C1229-C1233 WeakPolarHBondContact O-CB 3.26Å; C1229-C1233 PolarHBondContact O-N 2.65Å
1230	C	67.7	Low	60.3	Low	5 Å²	5	76 Å²	76	3%	0.034	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-23.7	-167.6	-165	0	0	0	0	114.2	C1202 D1205 Y1226 R1234	C1202-C1230 HydrophobicContact CB-CB 3.72Å; C1202-C1230 WeakPolarHBondContact CB-SG 3.44Å; C1202-C1230 WeakPolarHBondContact SG-CB 3.42Å; C1202-C1230 CovalentContact SG-SG 2.03Å; C1202-C1230 PolarHBondContact SG-SG 3.15Å; D1205-C1230 PolarHBondContact OD1-N 3.08Å; Y1226-C1230 WeakPolarHBondContact O-CA 3.35Å; Y1226-C1230 WeakPolarHBondContact O-CB 3.49Å; Y1226-C1230 PolarHBondContact O-N 3.47Å; Y1226-C1230 VanDerWaalsContact O-N 3.1Å; C1230-R1234 VanDerWaalsContact O-CB 3.31Å; C1230-R1234 WeakPolarHBondContact O-CB 3.27Å; C1230-R1234 PolarHBondContact O-N 2.89Å
1231	E	70.3	Confident	59.5	Low	98 Å²	98	79.4 Å²	79.4	46%	0.458	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-49.4	172.4	-62.3	-164.7	119.7	0	0	111.1	D1205 C1229 C1233 R1234	D1205-E1231 PolarHBondContact OD1-N 3.1Å; C1229-E1231 VanDerWaalsContact C-N 3.33Å; C1229-E1231 PolarHBondContact O-N 3.47Å; E1231-C1233 VanDerWaalsContact C-N 3.28Å; E1231-C1233 PolarHBondContact O-N 2.82Å; E1231-R1234 WeakPolarHBondContact O-CB 3.2Å; E1231-R1234 PolarHBondContact O-N 2.84Å
1232	T	73.8	Confident	59	Low	27 Å²	27	80.7 Å²	80.7	17%	0.166	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-32.3	177	-61.7	0	0	0	0	112.9	D1205 C1211 R1215	D1205-T1232 PolarHBondContact OD1-N 3.28Å; D1205-T1232 WeakPolarHBondContact OD2-CB 3.47Å; D1205-T1232 PolarHBondContact OD2-N 3.23Å; D1205-T1232 PolarHBondContact OD2-OG1 3.33Å; C1211-T1232 HydrophobicContact CB-CG2 4.1Å; C1211-T1232 VanDerWaalsContact O-CG2 3.28Å; C1211-T1232 WeakPolarHBondContact O-CG2 3.47Å; R1215-T1232 HydrophobicContact CB-CG2 3.91Å; R1215-T1232 WeakPolarHBondContact CD-O 3.15Å
1233	C	67.2	Low	58.3	Low	0 Å²	0	85.4 Å²	85.4	0%	0	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	0.4	171.9	-67.8	0	0	0	0	114.1	C1220 Y1226 C1229 E1231 Y1237	C1220-C1233 VanDerWaalsContact CA-SG 3.57Å; C1220-C1233 HydrophobicContact CB-CB 3.61Å; C1220-C1233 WeakPolarHBondContact CB-SG 3.24Å; C1220-C1233 VanDerWaalsContact SG-CA 3.52Å; C1220-C1233 WeakPolarHBondContact SG-CB 3.07Å; C1220-C1233 CovalentContact SG-SG 2.04Å; C1220-C1233 PolarHBondContact SG-SG 2.71Å; Y1226-C1233 HydrophobicContact CD2-CB 3.78Å; Y1226-C1233 HydrophobicContact CE2-CB 4.47Å; C1229-C1233 WeakPolarHBondContact O-CB 3.26Å; C1229-C1233 PolarHBondContact O-N 2.65Å; E1231-C1233 VanDerWaalsContact C-N 3.28Å; E1231-C1233 PolarHBondContact O-N 2.82Å; C1233-Y1237 PolarHBondContact O-N 3.3Å
1234	R	67.8	Low	57.7	Low	150 Å²	150	87.9 Å²	87.9	57%	0.566	39%	0.393	S	S	*	.	H	α-helix	trans	-61.5	-50.4	176.2	-164.4	171.6	177.2	174.4	-4.6	110.7	C1230 E1231 F1236 Y1237 A1238	C1230-R1234 VanDerWaalsContact O-CB 3.31Å; C1230-R1234 WeakPolarHBondContact O-CB 3.27Å; C1230-R1234 PolarHBondContact O-N 2.89Å; E1231-R1234 WeakPolarHBondContact O-CB 3.2Å; E1231-R1234 PolarHBondContact O-N 2.84Å; R1234-F1236 VanDerWaalsContact C-N 3.29Å; R1234-F1236 PolarHBondContact O-N 2.98Å; R1234-Y1237 PolarHBondContact O-N 3.1Å; R1234-A1238 WeakPolarHBondContact O-CB 3.06Å; R1234-A1238 PolarHBondContact O-N 3.42Å
1235	D	60.4	Low	56.6	Low	82 Å²	82	86.2 Å²	86.2	44%	0.439	41%	0.411	S	S	.	.	H	α-helix	trans	-63.6	-36.2	-177.1	-58.9	-20	0	0	0	111.8	Y1237 A1238 Q1239	D1235-Y1237 VanDerWaalsContact C-N 3.35Å; D1235-Y1237 PolarHBondContact O-N 3.17Å; D1235-A1238 PolarHBondContact O-N 2.96Å; D1235-Q1239 WeakPolarHBondContact O-CB 3.16Å; D1235-Q1239 WeakPolarHBondContact O-CG 3.48Å; D1235-Q1239 PolarHBondContact O-N 3.24Å
1236	F	62.6	Low	56.5	Low	28 Å²	28	85.9 Å²	85.9	12%	0.123	41%	0.414	C	S	.	.	H	α-helix	trans	-60	-43.3	177.2	174	-94.7	0	0	0	112.1	N1218 C1220 Q1221 R1234 K1240	N1218-F1236 WeakPolarHBondContact OD1-CE2 3.24Å; C1220-F1236 HydrophobicContact CB-CB 4.03Å; C1220-F1236 HydrophobicContact CB-CD1 3.47Å; C1220-F1236 VanDerWaalsContact CB-CD1 3.47Å; C1220-F1236 HydrophobicContact CB-CD2 4.49Å; C1220-F1236 HydrophobicContact CB-CE1 4.12Å; C1220-F1236 HydrophobicContact CB-CG 3.7Å; Q1221-F1236 HydrophobicContact CB-CE1 4.49Å; Q1221-F1236 HydrophobicContact CG-CE1 3.42Å; Q1221-F1236 VanDerWaalsContact CG-CE1 3.42Å; Q1221-F1236 HydrophobicContact CG-CE2 4.45Å; Q1221-F1236 HydrophobicContact CG-CZ 3.28Å; R1234-F1236 VanDerWaalsContact C-N 3.29Å; R1234-F1236 PolarHBondContact O-N 2.98Å; F1236-K1240 HydrophobicContact CE1-CD 4.49Å; F1236-K1240 HydrophobicContact CZ-CD 4.28Å; F1236-K1240 PolarHBondContact O-N 2.93Å
1237	Y	53.3	Low	56.4	Low	59 Å²	59	88.7 Å²	88.7	23%	0.231	43%	0.429	C	S	.	.	H	α-helix	trans	-79.1	-33.3	173.9	-82.9	-72.2	0	0	0	112.9	C1220 Q1221 Y1226 C1233 R1234 D1235 Q1239 K1240 L1241	C1220-Y1237 WeakPolarHBondContact O-CE2 3.34Å; C1220-Y1237 PolarHBondContact O-OH 3.27Å; Q1221-Y1237 PolarHBondContact O-OH 2.04Å; Y1226-Y1237 AromaticContact CD2-CD2 3.57Å; Y1226-Y1237 HydrophobicContact CD2-CD2 3.57Å; Y1226-Y1237 AromaticContact CD2-CE2 3.76Å; Y1226-Y1237 HydrophobicContact CD2-CE2 3.76Å; Y1226-Y1237 AromaticContact CE2-CD2 3.69Å; Y1226-Y1237 HydrophobicContact CE2-CD2 3.69Å; Y1226-Y1237 HydrophobicContact CE2-CE2 4.3Å; Y1226-Y1237 HydrophobicContact CG-CD2 4.37Å; Y1226-Y1237 HydrophobicContact CG-CE2 4.16Å; C1233-Y1237 PolarHBondContact O-N 3.3Å; R1234-Y1237 PolarHBondContact O-N 3.1Å; D1235-Y1237 VanDerWaalsContact C-N 3.35Å; D1235-Y1237 PolarHBondContact O-N 3.17Å; Y1237-Q1239 PolarHBondContact O-N 3.44Å; Y1237-K1240 CarbonylContact O-C 3.49Å; Y1237-K1240 PolarHBondContact O-N 2.5Å; Y1237-L1241 WeakPolarHBondContact O-CB 3.25Å; Y1237-L1241 WeakPolarHBondContact O-CD1 3.39Å; Y1237-L1241 WeakPolarHBondContact O-CG 3.42Å; Y1237-L1241 PolarHBondContact O-N 3.31Å
1238	A	53.2	Low	56.3	Low	36 Å²	36	85.3 Å²	85.3	30%	0.298	41%	0.414	S	S	.	.	H	α-helix	trans	-61.4	-42.9	175.7	0	0	0	0	0	111.7	R1234 D1235 L1241 Q1242	R1234-A1238 WeakPolarHBondContact O-CB 3.06Å; R1234-A1238 PolarHBondContact O-N 3.42Å; D1235-A1238 PolarHBondContact O-N 2.96Å; A1238-L1241 WeakPolarHBondContact O-CB 3.47Å; A1238-L1241 PolarHBondContact O-N 2.85Å; A1238-L1241 VanDerWaalsContact O-N 3.13Å; A1238-Q1242 WeakPolarHBondContact O-CG 3.04Å; A1238-Q1242 PolarHBondContact O-N 3.46Å
1239	Q	52.4	Low	56.1	Low	134 Å²	134	83.7 Å²	83.7	63%	0.626	41%	0.413	S	S	*	.	H	α-helix	trans	-66.9	-36.3	174.9	-71.5	179.1	-10.1	0	0	112.4	D1235 Y1237 L1241 Q1243	D1235-Q1239 WeakPolarHBondContact O-CB 3.16Å; D1235-Q1239 WeakPolarHBondContact O-CG 3.48Å; D1235-Q1239 PolarHBondContact O-N 3.24Å; Y1237-Q1239 PolarHBondContact O-N 3.44Å; Q1239-L1241 VanDerWaalsContact C-N 3.3Å; Q1239-L1241 PolarHBondContact O-N 3.45Å; Q1239-Q1243 PolarHBondContact O-N 2.64Å
1240	K	48.8	Very low	55.5	Low	114 Å²	114	88.7 Å²	88.7	50%	0.496	44%	0.437	S	S	.	.	H	α-helix	trans	-68.9	-24.3	170.3	-87.9	-164.5	174.2	-174.1	0	113.7	F1236 Y1237	F1236-K1240 HydrophobicContact CE1-CD 4.49Å; F1236-K1240 HydrophobicContact CZ-CD 4.28Å; F1236-K1240 PolarHBondContact O-N 2.93Å; Y1237-K1240 CarbonylContact O-C 3.49Å; Y1237-K1240 PolarHBondContact O-N 2.5Å
1241	L	45.3	Very low	54.7	Low	71 Å²	71	94.3 Å²	94.3	37%	0.372	46%	0.464	S	S	.	.	H	α-helix	trans	-80.3	-40.3	173.7	-76.4	159.8	0	0	0	111.7	A1196 A1197 Y1237 A1238 Q1239 Q1243 K1244 S1245	A1196-L1241 HydrophobicContact CB-CD2 3.63Å; A1197-L1241 HydrophobicContact CB-CD2 4.35Å; Y1237-L1241 WeakPolarHBondContact O-CB 3.25Å; Y1237-L1241 WeakPolarHBondContact O-CD1 3.39Å; Y1237-L1241 WeakPolarHBondContact O-CG 3.42Å; Y1237-L1241 PolarHBondContact O-N 3.31Å; A1238-L1241 WeakPolarHBondContact O-CB 3.47Å; A1238-L1241 PolarHBondContact O-N 2.85Å; A1238-L1241 VanDerWaalsContact O-N 3.13Å; Q1239-L1241 VanDerWaalsContact C-N 3.3Å; Q1239-L1241 PolarHBondContact O-N 3.45Å; L1241-Q1243 PolarHBondContact O-N 3.39Å; L1241-K1244 CarbonylContact O-C 3.6Å; L1241-K1244 PolarHBondContact O-N 2.96Å; L1241-S1245 PolarHBondContact O-N 2.81Å
1242	Q	46.8	Very low	53.5	Low	133 Å²	133	94 Å²	94	62%	0.621	46%	0.464	S	S	*	.	H	α-helix	trans	-70.1	-9.6	176.8	-73.8	-179.5	-48.8	0	0	114.1	A1238 K1244 S1245	A1238-Q1242 WeakPolarHBondContact O-CG 3.04Å; A1238-Q1242 PolarHBondContact O-N 3.46Å; Q1242-K1244 PolarHBondContact O-N 3.49Å; Q1242-S1245 CarbonylContact O-C 3.55Å
1243	Q	45	Very low	52	Low	171 Å²	171	99.2 Å²	99.2	80%	0.799	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	8.6	163.7	-73.2	-167	-23.5	0	0	114	Q1239 L1241	Q1239-Q1243 PolarHBondContact O-N 2.64Å; L1241-Q1243 PolarHBondContact O-N 3.39Å
1244	K	40.8	Very low	50.7	Low	155 Å²	155	107.4 Å²	107.4	67%	0.674	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.4	25.1	161.3	-78.7	-163.8	169.3	-172.1	0	112.9	L1241 Q1242	L1241-K1244 CarbonylContact O-C 3.6Å; L1241-K1244 PolarHBondContact O-N 2.96Å; Q1242-K1244 PolarHBondContact O-N 3.49Å
1245	S	32.2	Very low	49.2	Very low	156 Å²	156	103.5 Å²	103.5	100%	1.091	52%	0.524	S	S	*	.			trans	-157.8	0	168.7	168.3	0	0	0	0	108.6	L1241 Q1242	L1241-S1245 PolarHBondContact O-N 2.81Å; Q1242-S1245 CarbonylContact O-C 3.55Å

Retrieved 1,245 of 1,245 residues in 3398.2 ms (Link to these results)

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