A0A3Q0KPF5_SCHMA Loading...

Suppressor of fused, putative

AlphaFold DB , UniProt , Accession A0A3Q0KPF5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,145 aa.

						>A0A3Q0KPF5_SCHMA|A0A3Q0KPF5
MSNSAFGPVLSSGTAPNLGSVPPAKEEHALGLKAIYAACRLLYPDQPTPLQVTAVRKFWMGGPDPLDFINMYANPGSAELQSPPHWHYVTNGLSDLYGDSRLHGHCHSTDGPSGFGFELTFRVKREAGEANPPTWPAHLLQSLARYVFYSQAQLMAGDHIPWPTSLDKQPNFSSQQSEKRRRHHQHHQQQQQQTDKEINVKELENARKSIAMAAAATAASILAANSAKTGIGSSSAALSALTNPSTYASMVAAALAAVNNNNSLTINDSNDSVGQNETKDKVTTNSTNSSRIHHMLLVEDPQLTKITTPYGYVQFLQLVGLCDEELRLVQRWTGSHVAELMSCSLETGGGLLVTDMRRNLNIFEMQPNLVDYINDKLKREGSNLSGVTTSYFAWAPITIVTLGELLPGEVESRRLRRQTQKRDSSSTSCLYSSKSEVQSGSKAVLFHNPSTDYNTHKSDTDIGSKTVAMDTDDTLVSFAVKKRIEDDEFIDVVGGGGNGGGDETLQKLTAESYINSSTSALASVCAEPNSLKISRFEQKPRASLSNRLSSGHLTSDCFPHSLGNRNVIDGQTISAPGGFSAWCSRVGPINPFNQSPIGRQSINKVGTNTSSTVGGIFKSALVNSPTELTNVVGGALGFRTFNSELPIPNMMADKFIDTSIEPKGGNLTPGGGSSSTTGDGSAPCTPLAHLSLSPASLDMMPTRIIDYLDVHLCREAGEMLPLAVNDRLRHGRHFTFLNANYPDHAITLVPSGVSGAFVSEETPYVARGPWLQILLTDDFLEQLEFQFSCLLYPNELHLPLVFRWPERHLRICLVDVSSSSPPPSSNGGLPSIPLPHSQTASVPNPVSLMNDSNNNIGNNSVDNSNTSDTSNISKLTGTPTTSGIHCNWNTSVVDNRLISSNNSGSVESTPQSSIIPSAFAKSDLLPSFLSLFPPGCIPPPNVLSSLFSAMATNNSSSISDNINTTNNDQSQTELLRKSFPPINQTVTSVPIFQTSSSPTSLIQPSASTLPNLSHIHQHQITQQQQVRQEHQPSTTSLPTEIKVDNLIDPNVFANNWSMFLQTLMRNNNNMDSLRQIISGNQNNSVVTTNISNTNSTAYFMELMQNFPFHNNNNNNNNCINMLSALTSSTAPTASVSSSSSSMKHF
					

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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	32	Very low	34.1	Very low	236 Å²	236	139.2 Å²	139.2	100%	1.163	84%	0.843	S	S	*	*				0	144.4	0	-72	169.1	164.5	0	0	107.9
2	S	30.4	Very low	34	Very low	102 Å²	102	138.3 Å²	138.3	71%	0.713	85%	0.848	S	S	*	*			trans	33.9	122.7	156.4	53.4	0	0	0	0	119.8
3	N	34.7	Very low	34.1	Very low	163 Å²	163	133.5 Å²	133.5	87%	0.872	84%	0.843	S	S	*	*			cis	-151.1	154	12.5	-85	-25.5	0	0	0	112.7
4	S	32.4	Very low	34.5	Very low	115 Å²	115	134.6 Å²	134.6	80%	0.804	85%	0.848	S	S	*	*			trans	-99.4	150.6	165.6	50.1	0	0	0	0	111.1
5	A	37	Very low	34.6	Very low	88 Å²	88	131.5 Å²	131.5	73%	0.727	84%	0.839	S	S	*	*			trans	-157.8	101.6	170.3	0	0	0	0	0	114.3
6	F	34.9	Very low	34.8	Very low	205 Å²	205	130.8 Å²	130.8	90%	0.899	84%	0.836	S	S	*	*			trans	44.3	123.4	144	-55.7	-75.9	0	0	0	123
7	G	32.1	Very low	34.8	Very low	68 Å²	68	132.6 Å²	132.6	70%	0.701	84%	0.837	S	S	*	*			trans	-112.8	155.8	134.2	0	0	0	0	0	110.1
8	P	41.1	Very low	35	Very low	132 Å²	132	134.4 Å²	134.4	86%	0.857	84%	0.839	S	S	*	*			trans	-110.6	139.7	-176.5	37	-28.5	0	0	0	116.1
9	V	35.2	Very low	35.1	Very low	136 Å²	136	130.7 Å²	130.7	82%	0.824	83%	0.829	S	S	*	*			trans	-44.5	149.8	171.8	169.6	0	0	0	0	116.6
10	L	29.4	Very low	34.9	Very low	165 Å²	165	130.3 Å²	130.3	86%	0.864	83%	0.831	S	S	*	*			trans	-67	143.6	169.1	-70.4	163.3	0	0	0	113.1
11	S	35.7	Very low	35	Very low	121 Å²	121	130.3 Å²	130.3	85%	0.846	83%	0.829	S	S	*	*			trans	-152.3	140	161.4	-78.3	0	0	0	0	111.6
12	S	32.6	Very low	35.2	Very low	129 Å²	129	124 Å²	124	90%	0.902	81%	0.805	S	S	*	*			trans	-87.6	130.5	-171.6	53.1	0	0	0	0	113.2
13	G	35.5	Very low	35.3	Very low	76 Å²	76	125 Å²	125	78%	0.784	81%	0.81	S	S	*	*			trans	-149.6	132.2	172.2	0	0	0	0	0	111.8
14	T	39.2	Very low	35.2	Very low	149 Å²	149	122.1 Å²	122.1	91%	0.914	81%	0.808	S	S	*	*			trans	-65.5	136.6	-170.4	-45.8	0	0	0	0	113.2
15	A	36.2	Very low	35.3	Very low	87 Å²	87	123.4 Å²	123.4	72%	0.719	80%	0.799	S	S	*	*			trans	-81.2	163	-179.1	0	0	0	0	0	114
16	P	38.9	Very low	35.5	Very low	120 Å²	120	127.2 Å²	127.2	78%	0.779	80%	0.802	S	S	*	*			trans	-111.2	150	136.7	34.7	-30.8	0	0	0	111.9	L18	P16-L18 PolarHBondContact O-N 3.2Å
17	N	34.9	Very low	36.5	Very low	162 Å²	162	122.4 Å²	122.4	87%	0.866	78%	0.782	S	S	*	*			trans	-74.8	117.1	-166.2	-168.1	-0.7	0	0	0	113.3
18	L	38.1	Very low	38.5	Very low	166 Å²	166	126.3 Å²	126.3	87%	0.869	78%	0.782	S	S	*	*			trans	-138.8	119.1	171.3	-121.9	92.9	0	0	0	111	P16	P16-L18 PolarHBondContact O-N 3.2Å
19	G	36.3	Very low	40.8	Very low	63 Å²	63	120.7 Å²	120.7	65%	0.649	75%	0.747	S	S	*	*			trans	52.7	104.1	158.1	0	0	0	0	0	118.2	V21	G19-V21 PolarHBondContact O-N 3.2Å
20	S	31.4	Very low	43.6	Very low	123 Å²	123	116.9 Å²	116.9	86%	0.86	72%	0.721	S	S	*	*			trans	-61.8	98	169.6	55.8	0	0	0	0	112.1
21	V	37.6	Very low	46.7	Very low	130 Å²	130	109 Å²	109	79%	0.788	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-71.7	120.6	168.3	179.8	0	0	0	0	108	G19	G19-V21 PolarHBondContact O-N 3.2Å
22	P	34.7	Very low	49.6	Very low	104 Å²	104	104.1 Å²	104.1	68%	0.675	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-66.6	145.2	173.5	29.2	-34	0	0	0	109.5	A24	P22-A24 PolarHBondContact O-N 3.19Å
23	P	33.1	Very low	52.6	Low	124 Å²	124	102.3 Å²	102.3	81%	0.805	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-60.3	117.2	-179.9	24.9	-33.5	0	0	0	110	K25	P23-K25 PolarHBondContact O-N 3.33Å; P23-K25 VanDerWaalsContact O-N 3.15Å
24	A	32.5	Very low	55.5	Low	101 Å²	101	99.8 Å²	99.8	84%	0.835	59%	0.592	S	S	*	*			trans	-64.9	115.2	176.8	0	0	0	0	0	108.9	P22 E26	P22-A24 PolarHBondContact O-N 3.19Å; A24-E26 PolarHBondContact O-N 3.39Å
25	K	35.8	Very low	58.3	Low	143 Å²	143	92.7 Å²	92.7	62%	0.622	55%	0.549	S	S	*	.			trans	-53.3	128.4	-170.5	-80	151	148.3	-83.7	0	112.8	P23 E27	P23-K25 PolarHBondContact O-N 3.33Å; P23-K25 VanDerWaalsContact O-N 3.15Å; K25-E27 HydrophobicContact CB-CB 4.22Å; K25-E27 HydrophobicContact CB-CG 3.93Å; K25-E27 WeakPolarHBondContact CD-OE2 3.17Å; K25-E27 HydrophobicContact CG-CG 4.46Å; K25-E27 IonicContact NZ-OE1 2.62Å; K25-E27 PolarHBondContact NZ-OE1 3.02Å; K25-E27 IonicContact NZ-OE2 2.71Å; K25-E27 PolarHBondContact NZ-OE2 3.41Å; K25-E27 PolarHBondContact O-N 3.04Å
26	E	40.2	Very low	61.1	Low	167 Å²	167	90.8 Å²	90.8	78%	0.78	52%	0.523	S	S	*	.			trans	-78.7	34.5	177.6	-156.6	175.8	-130.8	0	0	112.6	A24 H28 K33	A24-E26 PolarHBondContact O-N 3.39Å; E26-H28 VanDerWaalsContact C-N 3.3Å; E26-H28 PolarHBondContact O-N 3.06Å; E26-K33 PolarHBondContact O-NZ 3.37Å
27	E	55.4	Low	63.9	Low	105 Å²	105	87.4 Å²	87.4	49%	0.491	51%	0.505	S	S	.	.			trans	-87	17.6	-163.7	-78.8	171.9	179.1	0	0	114.9	K25	K25-E27 HydrophobicContact CB-CB 4.22Å; K25-E27 HydrophobicContact CB-CG 3.93Å; K25-E27 WeakPolarHBondContact CD-OE2 3.17Å; K25-E27 HydrophobicContact CG-CG 4.46Å; K25-E27 IonicContact NZ-OE1 2.62Å; K25-E27 PolarHBondContact NZ-OE1 3.02Å; K25-E27 IonicContact NZ-OE2 2.71Å; K25-E27 PolarHBondContact NZ-OE2 3.41Å; K25-E27 PolarHBondContact O-N 3.04Å
28	H	74.6	Confident	66.8	Low	150 Å²	150	80.4 Å²	80.4	69%	0.694	47%	0.47	S	S	*	.	S	Bend	trans	-80.1	136.6	178	-68	-62.5	0	0	0	112.8	E26 K33	E26-H28 VanDerWaalsContact C-N 3.3Å; E26-H28 PolarHBondContact O-N 3.06Å; H28-K33 WeakPolarHBondContact O-CE 3.29Å
29	A	89.7	Confident	69.7	Low	14 Å²	14	72.5 Å²	72.5	12%	0.116	43%	0.429	C	S	.	.			trans	59.5	58.3	170	0	0	0	0	0	116	G31 L32 K33 L96 Y97	A29-G31 PolarHBondContact O-N 3.18Å; A29-L32 HydrophobicContact CB-CB 4Å; A29-L32 HydrophobicContact CB-CD2 4.31Å; A29-L32 PolarHBondContact O-N 3.19Å; A29-K33 WeakPolarHBondContact O-CG 3.29Å; A29-K33 PolarHBondContact O-N 3.06Å; A29-L96 CarbonylContact C-O 3.56Å; A29-L96 VanDerWaalsContact C-O 3.23Å; A29-L96 WeakPolarHBondContact CA-O 3.35Å; A29-Y97 HydrophobicContact CB-CD1 3.69Å; A29-Y97 HydrophobicContact CB-CE1 3.67Å
30	L	94	Very high	72.5	Confident	55 Å²	55	75.3 Å²	75.3	29%	0.288	42%	0.42	S	S	.	.	H	α-helix	trans	-68.1	-31.4	-175.7	-54.5	-179	0	0	0	113.7	K33 A34 P309 Y310	L30-K33 HydrophobicContact CD2-CD 4.25Å; L30-K33 PolarHBondContact O-N 3.38Å; L30-A34 PolarHBondContact O-N 3.23Å; L30-P309 HydrophobicContact CB-CG 3.95Å; L30-P309 HydrophobicContact CD1-CB 4.42Å; L30-P309 HydrophobicContact CD1-CG 4.04Å; L30-Y310 HydrophobicContact CB-CE2 4.11Å; L30-Y310 WeakPolarHBondContact CB-OH 3.41Å; L30-Y310 WeakPolarHBondContact CG-OH 3.37Å
31	G	94.7	Very high	75.6	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	42%	0.418	C	S	.	.	H	α-helix	trans	-64.9	-45.7	174.7	0	0	0	0	0	111.5	A29 K33 A34 I35 L96	A29-G31 PolarHBondContact O-N 3.18Å; G31-K33 VanDerWaalsContact C-N 3.32Å; G31-K33 PolarHBondContact O-N 3.44Å; G31-A34 WeakPolarHBondContact O-CB 3.5Å; G31-A34 PolarHBondContact O-N 2.99Å; G31-A34 VanDerWaalsContact O-N 3.11Å; G31-I35 PolarHBondContact O-N 3.31Å; G31-L96 PolarHBondContact N-O 3.15Å
32	L	96.3	Very high	78.4	Confident	18 Å²	18	72.9 Å²	72.9	9%	0.094	39%	0.392	C	S	.	.	H	α-helix	trans	-60	-40.4	173.5	-170.6	65.9	0	0	0	112.2	A29 A34 I35 Y36 F68 N91 L96	A29-L32 HydrophobicContact CB-CB 4Å; A29-L32 HydrophobicContact CB-CD2 4.31Å; A29-L32 PolarHBondContact O-N 3.19Å; L32-A34 VanDerWaalsContact C-N 3.31Å; L32-A34 PolarHBondContact O-N 3Å; L32-I35 PolarHBondContact O-N 2.75Å; L32-Y36 HydrophobicContact CD1-CD1 4.04Å; L32-Y36 HydrophobicContact CD1-CE1 3.37Å; L32-Y36 HydrophobicContact CD1-CE2 4.47Å; L32-Y36 HydrophobicContact CD2-CE2 4.32Å; L32-Y36 HydrophobicContact CG-CD1 4.29Å; L32-Y36 HydrophobicContact CG-CE1 3.83Å; L32-Y36 HydrophobicContact CG-CE2 4.08Å; L32-Y36 WeakPolarHBondContact O-CB 3.49Å; L32-Y36 WeakPolarHBondContact O-CD1 3.46Å; L32-Y36 VanDerWaalsContact O-CG 3.32Å; L32-Y36 PolarHBondContact O-N 3.2Å; L32-F68 HydrophobicContact CD1-CD2 3.89Å; L32-F68 HydrophobicContact CD1-CE2 4.33Å; L32-F68 HydrophobicContact CD2-CD2 4.03Å; L32-F68 HydrophobicContact CD2-CE2 3.66Å; L32-F68 HydrophobicContact CD2-CZ 4.42Å; L32-N91 HydrophobicContact CD1-CB 3.76Å; L32-N91 VanDerWaalsContact CD1-OD1 3.29Å; L32-N91 WeakPolarHBondContact CD1-OD1 3.33Å; L32-L96 HydrophobicContact CB-CB 4.3Å; L32-L96 HydrophobicContact CB-CD2 4.27Å; L32-L96 HydrophobicContact CD1-CD1 4.23Å; L32-L96 HydrophobicContact CD1-CD2 4.11Å
33	K	95.9	Very high	81.3	Confident	91 Å²	91	68.2 Å²	68.2	40%	0.396	36%	0.361	S	S	.	.	H	α-helix	trans	-62.1	-36.8	174.9	-71.8	-177.5	-174.5	-174.9	0	112.4	E26 H28 A29 L30 G31 A37	E26-K33 PolarHBondContact O-NZ 3.37Å; H28-K33 WeakPolarHBondContact O-CE 3.29Å; A29-K33 WeakPolarHBondContact O-CG 3.29Å; A29-K33 PolarHBondContact O-N 3.06Å; L30-K33 HydrophobicContact CD2-CD 4.25Å; L30-K33 PolarHBondContact O-N 3.38Å; G31-K33 VanDerWaalsContact C-N 3.32Å; G31-K33 PolarHBondContact O-N 3.44Å; K33-A37 WeakPolarHBondContact O-CB 3.43Å; K33-A37 PolarHBondContact O-N 3.34Å
34	A	96.4	Very high	84.4	Confident	24 Å²	24	67 Å²	67	20%	0.198	35%	0.353	C	S	.	.	H	α-helix	trans	-68.9	-46.1	177.1	0	0	0	0	0	112.2	L30 G31 L32 Y36 A37 A38 I306 T308	L30-A34 PolarHBondContact O-N 3.23Å; G31-A34 WeakPolarHBondContact O-CB 3.5Å; G31-A34 PolarHBondContact O-N 2.99Å; G31-A34 VanDerWaalsContact O-N 3.11Å; L32-A34 VanDerWaalsContact C-N 3.31Å; L32-A34 PolarHBondContact O-N 3Å; A34-Y36 VanDerWaalsContact C-N 3.35Å; A34-Y36 PolarHBondContact O-N 3.22Å; A34-A37 WeakPolarHBondContact O-CB 3.46Å; A34-A37 PolarHBondContact O-N 2.94Å; A34-A37 VanDerWaalsContact O-N 3.08Å; A34-A38 PolarHBondContact O-N 3.34Å; A34-A38 VanDerWaalsContact O-N 3.07Å; A34-I306 HydrophobicContact CB-CD1 4.26Å; A34-T308 HydrophobicContact CB-CG2 3.96Å
35	I	97.1	Very high	87.4	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-59.7	-46.4	174.5	-62.7	161.5	0	0	0	110.3	G31 L32 A37 A38 C39 V89 N91 L96 E118 I306 F315	G31-I35 PolarHBondContact O-N 3.31Å; L32-I35 PolarHBondContact O-N 2.75Å; I35-A37 PolarHBondContact O-N 2.82Å; I35-A38 PolarHBondContact O-N 3.34Å; I35-C39 PolarHBondContact O-N 2.82Å; I35-C39 PolarHBondContact O-SG 3.24Å; I35-C39 VanDerWaalsContact O-SG 3.33Å; I35-V89 HydrophobicContact CG2-CG1 4.34Å; I35-N91 WeakPolarHBondContact CG2-OD1 3.49Å; I35-L96 HydrophobicContact CD1-CD2 3.76Å; I35-E118 HydrophobicContact CD1-CG 4.07Å; I35-I306 HydrophobicContact CG1-CD1 3.97Å; I35-F315 HydrophobicContact CG1-CZ 4.39Å; I35-F315 HydrophobicContact CG2-CE1 4.14Å; I35-F315 HydrophobicContact CG2-CZ 4.25Å
36	Y	96.5	Very high	90.3	Very high	46 Å²	46	62.5 Å²	62.5	18%	0.18	32%	0.321	C	S	.	.	H	α-helix	trans	-65	-23.7	176.5	-73.2	10.5	0	0	0	113.4	L32 A34 R40 Q51	L32-Y36 HydrophobicContact CD1-CD1 4.04Å; L32-Y36 HydrophobicContact CD1-CE1 3.37Å; L32-Y36 HydrophobicContact CD1-CE2 4.47Å; L32-Y36 HydrophobicContact CD2-CE2 4.32Å; L32-Y36 HydrophobicContact CG-CD1 4.29Å; L32-Y36 HydrophobicContact CG-CE1 3.83Å; L32-Y36 HydrophobicContact CG-CE2 4.08Å; L32-Y36 WeakPolarHBondContact O-CB 3.49Å; L32-Y36 WeakPolarHBondContact O-CD1 3.46Å; L32-Y36 VanDerWaalsContact O-CG 3.32Å; L32-Y36 PolarHBondContact O-N 3.2Å; A34-Y36 VanDerWaalsContact C-N 3.35Å; A34-Y36 PolarHBondContact O-N 3.22Å; Y36-R40 WeakPolarHBondContact O-CB 3.27Å; Y36-R40 WeakPolarHBondContact O-CD 3.36Å; Y36-R40 WeakPolarHBondContact O-CG 3.4Å; Y36-R40 PolarHBondContact O-N 3.45Å; Y36-R40 PolarHBondContact O-NH1 3.34Å; Y36-Q51 PolarHBondContact OH-NE2 3.11Å
37	A	96.3	Very high	92.8	Very high	49 Å²	49	58.5 Å²	58.5	41%	0.405	31%	0.309	S	S	.	.	H	α-helix	trans	-73.1	-46.7	172.4	0	0	0	0	0	110.7	K33 A34 I35 C39 R40 L41	K33-A37 WeakPolarHBondContact O-CB 3.43Å; K33-A37 PolarHBondContact O-N 3.34Å; A34-A37 WeakPolarHBondContact O-CB 3.46Å; A34-A37 PolarHBondContact O-N 2.94Å; A34-A37 VanDerWaalsContact O-N 3.08Å; I35-A37 PolarHBondContact O-N 2.82Å; A37-C39 PolarHBondContact O-N 3.11Å; A37-R40 PolarHBondContact O-N 3.14Å; A37-L41 PolarHBondContact O-N 2.74Å
38	A	97.1	Very high	94.6	Very high	16 Å²	16	59.5 Å²	59.5	13%	0.132	32%	0.322	C	S	.	.	H	α-helix	trans	-57.4	-48.7	175.6	0	0	0	0	0	111.9	A34 I35 R40 L41 L42 L303 I306	A34-A38 PolarHBondContact O-N 3.34Å; A34-A38 VanDerWaalsContact O-N 3.07Å; I35-A38 PolarHBondContact O-N 3.34Å; A38-R40 VanDerWaalsContact C-N 3.27Å; A38-R40 PolarHBondContact O-N 2.99Å; A38-L41 WeakPolarHBondContact O-CB 3.16Å; A38-L41 PolarHBondContact O-N 3.2Å; A38-L41 VanDerWaalsContact O-N 3.14Å; A38-L42 PolarHBondContact O-N 3.25Å; A38-L303 HydrophobicContact CB-CD2 4.47Å; A38-I306 HydrophobicContact CB-CG2 4.11Å
39	C	97.4	Very high	95.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-63.6	-29.2	178.5	-59.5	0	0	0	0	113.6	I35 A37 L42 Y43 Y72	I35-C39 PolarHBondContact O-N 2.82Å; I35-C39 PolarHBondContact O-SG 3.24Å; I35-C39 VanDerWaalsContact O-SG 3.33Å; A37-C39 PolarHBondContact O-N 3.11Å; C39-L42 PolarHBondContact O-N 3Å; C39-Y43 PolarHBondContact O-N 2.82Å; C39-Y72 HydrophobicContact CB-CE2 3.95Å; C39-Y72 WeakPolarHBondContact CB-OH 3.29Å
40	R	96.4	Very high	95.8	Very high	121 Å²	121	57.2 Å²	57.2	46%	0.457	32%	0.315	S	S	.	.	H	α-helix	trans	-76.9	-22.9	175.9	-76.7	175.1	-167.5	126.6	-3.4	113.8	Y36 A37 A38 L42 P44	Y36-R40 WeakPolarHBondContact O-CB 3.27Å; Y36-R40 WeakPolarHBondContact O-CD 3.36Å; Y36-R40 WeakPolarHBondContact O-CG 3.4Å; Y36-R40 PolarHBondContact O-N 3.45Å; Y36-R40 PolarHBondContact O-NH1 3.34Å; A37-R40 PolarHBondContact O-N 3.14Å; A38-R40 VanDerWaalsContact C-N 3.27Å; A38-R40 PolarHBondContact O-N 2.99Å; R40-L42 VanDerWaalsContact C-N 3.32Å; R40-P44 WeakPolarHBondContact O-CA 3.47Å
41	L	96.2	Very high	95.9	Very high	156 Å²	156	58 Å²	58	82%	0.817	32%	0.317	S	S	*	.	H	α-helix	trans	-69.6	-35.5	170.1	-66.7	171.3	0	0	0	110.6	A37 A38	A37-L41 PolarHBondContact O-N 2.74Å; A38-L41 WeakPolarHBondContact O-CB 3.16Å; A38-L41 PolarHBondContact O-N 3.2Å; A38-L41 VanDerWaalsContact O-N 3.14Å
42	L	95.5	Very high	96	Very high	47 Å²	47	60.4 Å²	60.4	25%	0.246	33%	0.331	C	S	.	.	H	α-helix	trans	-81.6	-35.7	177.9	-173.6	57.4	0	0	0	113.5	A38 C39 R40 P44 Q302 L303	A38-L42 PolarHBondContact O-N 3.25Å; C39-L42 PolarHBondContact O-N 3Å; R40-L42 VanDerWaalsContact C-N 3.32Å; L42-P44 VanDerWaalsContact C-CD 3.48Å; L42-Q302 HydrophobicContact CD1-CB 3.94Å; L42-Q302 HydrophobicContact CD1-CG 4.45Å; L42-Q302 HydrophobicContact CD2-CB 3.71Å; L42-L303 HydrophobicContact CB-CD2 4.43Å; L42-L303 HydrophobicContact CD2-CD2 3.89Å; L42-L303 HydrophobicContact CD2-CG 4.1Å
43	Y	97.2	Very high	95.9	Very high	5 Å²	5	62.5 Å²	62.5	2%	0.02	35%	0.345	C	S	.	.			trans	-127.4	66	-178.1	-54.9	-73.2	0	0	0	112.4	C39 D45 Q46 Y72 N74 H87	C39-Y43 PolarHBondContact O-N 2.82Å; Y43-D45 PolarHBondContact O-N 2.95Å; Y43-Q46 PolarHBondContact O-N 2.62Å; Y43-Q46 VanDerWaalsContact O-N 3.14Å; Y43-Y72 HydrophobicContact CD1-CD1 4.33Å; Y43-Y72 HydrophobicContact CD1-CG 4.43Å; Y43-Y72 AromaticContact CD2-CD1 3.38Å; Y43-Y72 HydrophobicContact CD2-CD1 3.38Å; Y43-Y72 AromaticContact CD2-CD2 3.8Å; Y43-Y72 HydrophobicContact CD2-CD2 3.8Å; Y43-Y72 AromaticContact CD2-CE1 3.85Å; Y43-Y72 HydrophobicContact CD2-CE1 3.85Å; Y43-Y72 HydrophobicContact CD2-CE2 4.23Å; Y43-Y72 AromaticContact CD2-CG 3.35Å; Y43-Y72 HydrophobicContact CD2-CG 3.35Å; Y43-Y72 HydrophobicContact CE2-CD1 4.1Å; Y43-Y72 AromaticContact CE2-CD2 3.81Å; Y43-Y72 HydrophobicContact CE2-CD2 3.81Å; Y43-Y72 AromaticContact CE2-CG 3.58Å; Y43-Y72 HydrophobicContact CE2-CG 3.58Å; Y43-Y72 AromaticContact CG-CD1 3.51Å; Y43-Y72 HydrophobicContact CG-CD1 3.51Å; Y43-Y72 HydrophobicContact CG-CE1 4.14Å; Y43-Y72 AromaticContact CG-CG 3.83Å; Y43-Y72 HydrophobicContact CG-CG 3.83Å; Y43-N74 HydrophobicContact CE1-CB 4.05Å; Y43-N74 PolarHBondContact OH-ND2 3.5Å; Y43-H87 AromaticContact CE2-ND1 3.42Å; Y43-H87 WeakPolarHBondContact CE2-ND1 3.44Å; Y43-H87 AromaticContact CZ-ND1 3.55Å; Y43-H87 WeakPolarHBondContact OH-CB 3.45Å; Y43-H87 PolarHBondContact OH-ND1 3.43Å
44	P	96.7	Very high	95.8	Very high	100 Å²	100	58.3 Å²	58.3	65%	0.649	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-20.8	-178.8	28.9	-36.1	0	0	0	113.3	R40 L42	R40-P44 WeakPolarHBondContact O-CA 3.47Å; L42-P44 VanDerWaalsContact C-CD 3.48Å
45	D	96.4	Very high	95.7	Very high	112 Å²	112	64 Å²	64	60%	0.599	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-20.4	174	65.2	-46.8	0	0	0	113.4	Y43 P47	Y43-D45 PolarHBondContact O-N 2.95Å; D45-P47 WeakPolarHBondContact O-CD 3.49Å
46	Q	96.2	Very high	95.5	Very high	37 Å²	37	70.7 Å²	70.7	17%	0.173	39%	0.385	C	S	.	.			trans	-119.8	64.8	-175.2	-67.5	161.4	65.7	0	0	111.8	Y43 T48 Y72 A73	Y43-Q46 PolarHBondContact O-N 2.62Å; Y43-Q46 VanDerWaalsContact O-N 3.14Å; Q46-T48 PolarHBondContact O-N 2.81Å; Q46-T48 VanDerWaalsContact O-N 3.14Å; Q46-Y72 HydrophobicContact CB-CD1 4.13Å; Q46-Y72 HydrophobicContact CB-CE1 4.48Å; Q46-A73 PolarHBondContact NE2-O 2.98Å
47	P	92.8	Very high	95.4	Very high	82 Å²	82	69.9 Å²	69.9	53%	0.532	38%	0.382	S	S	.	.	S	Bend	trans	-65.9	-16.9	-180	29.1	-36.8	0	0	0	113.6	D45	D45-P47 WeakPolarHBondContact O-CD 3.49Å
48	T	93.6	Very high	95.3	Very high	126 Å²	126	69.6 Å²	69.6	77%	0.773	37%	0.372	S	S	*	.	S	Bend	trans	-133.1	78.5	177.1	56	0	0	0	0	109.9	Q46	Q46-T48 PolarHBondContact O-N 2.81Å; Q46-T48 VanDerWaalsContact O-N 3.14Å
49	P	95	Very high	95.1	Very high	31 Å²	31	72.5 Å²	72.5	20%	0.201	38%	0.379	C	S	.	.			trans	-66.2	169.2	175.9	32.1	-39.1	0	0	0	111.4	Q51 N70 M71 Y72	P49-Q51 PolarHBondContact O-N 2.7Å; P49-N70 HydrophobicContact CG-CB 4.22Å; P49-M71 WeakPolarHBondContact CB-O 3.27Å; P49-Y72 HydrophobicContact CB-CD1 3.79Å; P49-Y72 HydrophobicContact CB-CE1 3.64Å; P49-Y72 HydrophobicContact CB-CG 4.3Å; P49-Y72 HydrophobicContact CG-CD1 4.32Å; P49-Y72 HydrophobicContact CG-CE1 3.65Å; P49-Y72 HydrophobicContact CG-CE2 4.4Å
50	L	95	Very high	94.9	Very high	85 Å²	85	77.5 Å²	77.5	45%	0.445	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	131.6	165.1	-175.1	66.5	0	0	0	108.5	M71 P132	L50-M71 HydrophobicContact CB-CB 4.35Å; L50-M71 HydrophobicContact CD2-SD 4.2Å; L50-M71 PolarHBondContact N-O 3.25Å; L50-M71 WeakPolarHBondContact O-CB 3.4Å; L50-M71 PolarHBondContact O-N 3.02Å; L50-P132 HydrophobicContact CB-CG 4.21Å; L50-P132 HydrophobicContact CD2-CG 3.93Å
51	Q	96.1	Very high	94.7	Very high	73 Å²	73	73.9 Å²	73.9	34%	0.341	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	122.2	-178.9	-177.3	176	94.9	0	0	110.3	Y36 P49 F68 I69 N70	Y36-Q51 PolarHBondContact OH-NE2 3.11Å; P49-Q51 PolarHBondContact O-N 2.7Å; Q51-F68 HydrophobicContact CG-CB 4.16Å; Q51-F68 HydrophobicContact CG-CD1 4.37Å; Q51-I69 WeakPolarHBondContact CA-O 3.31Å; Q51-N70 PolarHBondContact NE2-OD1 3.3Å
52	V	95.1	Very high	94.7	Very high	49 Å²	49	66.8 Å²	66.8	30%	0.297	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	140	164	169.1	0	0	0	0	108.3	F68 I69 M71 T134 A137	V52-F68 CarbonylContact O-C 3.23Å; V52-F68 WeakPolarHBondContact O-CA 3.33Å; V52-I69 PolarHBondContact N-O 3.48Å; V52-I69 PolarHBondContact O-N 2.75Å; V52-M71 HydrophobicContact CB-CE 3.95Å; V52-M71 HydrophobicContact CG2-CE 3.41Å; V52-M71 VanDerWaalsContact CG2-CE 3.41Å; V52-M71 HydrophobicContact CG2-SD 4.36Å; V52-T134 HydrophobicContact CG2-CG2 4.38Å; V52-A137 HydrophobicContact CB-CB 4.46Å; V52-A137 HydrophobicContact CG1-CB 4.19Å
53	T	95.8	Very high	94.7	Very high	62 Å²	62	68.2 Å²	68.2	38%	0.38	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	138.9	-178.9	-168.1	0	0	0	0	112.3	V55 K57 D67 F68	T53-V55 PolarHBondContact O-N 2.68Å; T53-V55 VanDerWaalsContact O-N 3.16Å; T53-K57 PolarHBondContact OG1-NZ 3.31Å; T53-D67 WeakPolarHBondContact CA-O 3.47Å; T53-D67 WeakPolarHBondContact CB-O 3.37Å; T53-D67 PolarHBondContact OG1-O 3.48Å; T53-F68 VanDerWaalsContact OG1-CD1 3.28Å; T53-F68 WeakPolarHBondContact OG1-CD1 3.46Å; T53-F68 WeakPolarHBondContact OG1-CE1 3.42Å
54	A	94	Very high	94.6	Very high	3 Å²	3	70.6 Å²	70.6	3%	0.025	39%	0.394	C	S	.	.			trans	-65.5	112	173.6	0	0	0	0	0	110.1	R56 K57 D64 L66 D67	A54-R56 PolarHBondContact O-N 2.73Å; A54-K57 WeakPolarHBondContact O-CE 3.45Å; A54-K57 PolarHBondContact O-NZ 3.22Å; A54-D64 HydrophobicContact CB-CB 3.93Å; A54-L66 WeakPolarHBondContact CB-O 3.34Å; A54-D67 PolarHBondContact N-O 2.78Å; A54-D67 VanDerWaalsContact N-O 3.14Å
55	V	93.4	Very high	94.6	Very high	145 Å²	145	65.9 Å²	65.9	88%	0.879	36%	0.363	S	S	*	.	S	Bend	trans	-63.9	-40.8	-175.8	179.3	0	0	0	0	111.4	T53	T53-V55 PolarHBondContact O-N 2.68Å; T53-V55 VanDerWaalsContact O-N 3.16Å
56	R	93.1	Very high	94.7	Very high	140 Å²	140	60.5 Å²	60.5	53%	0.528	34%	0.335	S	S	.	.	S	Bend	trans	-105.1	110.6	165.5	-175.9	-178.7	179.4	-164.6	-2.2	107.4	A54 M60 G61 G62	A54-R56 PolarHBondContact O-N 2.73Å; R56-M60 HydrophobicContact CG-CB 4.44Å; R56-M60 PolarHBondContact NE-O 2.98Å; R56-M60 PolarHBondContact NH2-O 3.07Å; R56-G61 VanDerWaalsContact CZ-C 3.42Å; R56-G61 PolarHBondContact NE-O 2.83Å; R56-G61 PolarHBondContact NH1-O 3.1Å; R56-G61 PolarHBondContact NH2-O 3.44Å; R56-G62 WeakPolarHBondContact O-CA 3.29Å
57	K	93.5	Very high	94.7	Very high	28 Å²	28	58.8 Å²	58.8	12%	0.122	33%	0.327	C	S	.	.			trans	-62.6	150.9	179.9	-55.5	-72.2	161.3	-157.2	0	111.7	T53 A54 W59 M60 G62 D67	T53-K57 PolarHBondContact OG1-NZ 3.31Å; A54-K57 WeakPolarHBondContact O-CE 3.45Å; A54-K57 PolarHBondContact O-NZ 3.22Å; K57-W59 HydrophobicContact CB-CD2 3.98Å; K57-W59 HydrophobicContact CB-CE3 4.16Å; K57-W59 HydrophobicContact CB-CH2 3.72Å; K57-W59 HydrophobicContact CB-CZ2 3.53Å; K57-W59 HydrophobicContact CB-CZ3 4.04Å; K57-W59 HydrophobicContact CD-CH2 3.8Å; K57-W59 HydrophobicContact CD-CZ2 4.1Å; K57-W59 HydrophobicContact CD-CZ3 4.49Å; K57-W59 HydrophobicContact CG-CH2 3.85Å; K57-W59 HydrophobicContact CG-CZ2 3.64Å; K57-W59 PolarHBondContact O-N 3.16Å; K57-M60 HydrophobicContact CB-CE 3.72Å; K57-M60 HydrophobicContact CB-CG 4.48Å; K57-M60 HydrophobicContact CG-CE 3.65Å; K57-M60 WeakPolarHBondContact O-CA 3.41Å; K57-M60 WeakPolarHBondContact O-CB 3.38Å; K57-M60 PolarHBondContact O-N 2.98Å; K57-G62 PolarHBondContact O-N 3.49Å; K57-G62 VanDerWaalsContact O-N 3.08Å; K57-D67 HydrophobicContact CD-CB 4.29Å; K57-D67 WeakPolarHBondContact CD-OD1 3.26Å; K57-D67 PolarHBondContact NZ-O 2.69Å; K57-D67 IonicContact NZ-OD1 3.51Å
58	F	95.1	Very high	94.9	Very high	43 Å²	43	56.5 Å²	56.5	19%	0.189	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-61.4	-44.6	-171.9	-161.5	-106.7	0	0	0	113.3	M60 G61 G62 P65 L102 F148	F58-M60 PolarHBondContact O-N 3.28Å; F58-M60 VanDerWaalsContact O-N 3.11Å; F58-G61 WeakPolarHBondContact O-CA 3.21Å; F58-G61 PolarHBondContact O-N 3.07Å; F58-G62 WeakPolarHBondContact CD2-O 3.42Å; F58-G62 PolarHBondContact O-N 3.37Å; F58-P65 HydrophobicContact CD2-CB 4.06Å; F58-P65 HydrophobicContact CD2-CG 3.89Å; F58-P65 HydrophobicContact CE2-CB 4.28Å; F58-P65 HydrophobicContact CE2-CG 3.71Å; F58-P65 HydrophobicContact CG-CB 4.2Å; F58-P65 HydrophobicContact CG-CG 4.5Å; F58-P65 HydrophobicContact CZ-CG 4.16Å; F58-L102 HydrophobicContact CD1-CD1 3.66Å; F58-L102 HydrophobicContact CE1-CD1 4.34Å; F58-F148 HydrophobicContact CE1-CD1 4.16Å
59	W	92.7	Very high	95.1	Very high	77 Å²	77	50.5 Å²	50.5	29%	0.292	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-64.9	-13.2	174.4	63.3	88.3	0	0	0	114.2	K57 G61 D67 Y97 R101 L102	K57-W59 HydrophobicContact CB-CD2 3.98Å; K57-W59 HydrophobicContact CB-CE3 4.16Å; K57-W59 HydrophobicContact CB-CH2 3.72Å; K57-W59 HydrophobicContact CB-CZ2 3.53Å; K57-W59 HydrophobicContact CB-CZ3 4.04Å; K57-W59 HydrophobicContact CD-CH2 3.8Å; K57-W59 HydrophobicContact CD-CZ2 4.1Å; K57-W59 HydrophobicContact CD-CZ3 4.49Å; K57-W59 HydrophobicContact CG-CH2 3.85Å; K57-W59 HydrophobicContact CG-CZ2 3.64Å; K57-W59 PolarHBondContact O-N 3.16Å; W59-G61 VanDerWaalsContact C-N 3.29Å; W59-D67 WeakPolarHBondContact CH2-OD1 3.11Å; W59-D67 WeakPolarHBondContact CH2-OD2 3.43Å; W59-D67 VanDerWaalsContact CZ3-OD1 3.23Å; W59-D67 WeakPolarHBondContact CZ3-OD1 3.36Å; W59-D67 WeakPolarHBondContact CZ3-OD2 3.18Å; W59-Y97 HydrophobicContact CH2-CD2 4.32Å; W59-Y97 AromaticContact CH2-CE2 3.36Å; W59-Y97 HydrophobicContact CH2-CE2 3.36Å; W59-Y97 AromaticContact CH2-CZ 3.75Å; W59-Y97 HydrophobicContact CZ2-CE2 4.2Å; W59-Y97 HydrophobicContact CZ3-CD2 4.39Å; W59-Y97 AromaticContact CZ3-CE2 3.67Å; W59-Y97 HydrophobicContact CZ3-CE2 3.67Å; W59-R101 HydrophobicContact CB-CB 4.49Å; W59-R101 WeakPolarHBondContact CB-O 3.43Å; W59-R101 HydrophobicContact CD2-CG 4.09Å; W59-R101 HydrophobicContact CE3-CG 4.21Å; W59-R101 HydrophobicContact CG-CB 4.31Å; W59-R101 HydrophobicContact CG-CG 4.25Å; W59-L102 HydrophobicContact CE3-CB 4.44Å; W59-L102 HydrophobicContact CE3-CD2 4.32Å
60	M	93.4	Very high	95.3	Very high	106 Å²	106	49.2 Å²	49.2	52%	0.522	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-92.5	13.3	169.5	-59.9	-164.4	-74.8	0	0	112.3	R56 K57 F58	R56-M60 HydrophobicContact CG-CB 4.44Å; R56-M60 PolarHBondContact NE-O 2.98Å; R56-M60 PolarHBondContact NH2-O 3.07Å; K57-M60 HydrophobicContact CB-CE 3.72Å; K57-M60 HydrophobicContact CB-CG 4.48Å; K57-M60 HydrophobicContact CG-CE 3.65Å; K57-M60 WeakPolarHBondContact O-CA 3.41Å; K57-M60 WeakPolarHBondContact O-CB 3.38Å; K57-M60 PolarHBondContact O-N 2.98Å; F58-M60 PolarHBondContact O-N 3.28Å; F58-M60 VanDerWaalsContact O-N 3.11Å
61	G	93	Very high	95.4	Very high	44 Å²	44	45.3 Å²	45.3	45%	0.454	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	27	-175.6	0	0	0	0	0	114.1	R56 F58 W59	R56-G61 VanDerWaalsContact CZ-C 3.42Å; R56-G61 PolarHBondContact NE-O 2.83Å; R56-G61 PolarHBondContact NH1-O 3.1Å; R56-G61 PolarHBondContact NH2-O 3.44Å; F58-G61 WeakPolarHBondContact O-CA 3.21Å; F58-G61 PolarHBondContact O-N 3.07Å; W59-G61 VanDerWaalsContact C-N 3.29Å
62	G	94.8	Very high	95.5	Very high	7 Å²	7	42.2 Å²	42.2	7%	0.072	23%	0.228	C	C	.	.			trans	-67	156.3	168.8	0	0	0	0	0	112.2	R56 K57 F58 D64	R56-G62 WeakPolarHBondContact O-CA 3.29Å; K57-G62 PolarHBondContact O-N 3.49Å; K57-G62 VanDerWaalsContact O-N 3.08Å; F58-G62 WeakPolarHBondContact CD2-O 3.42Å; F58-G62 PolarHBondContact O-N 3.37Å; G62-D64 VanDerWaalsContact C-N 3.33Å
63	P	95	Very high	95.7	Very high	78 Å²	78	41.2 Å²	41.2	51%	0.506	23%	0.225	S	C	.	.	S	Bend	trans	-77.7	-22	175.3	32.6	-34.1	0	0	0	112.8	R145	P63-R145 VanDerWaalsContact O-CD 3.27Å; P63-R145 WeakPolarHBondContact O-CD 3.27Å
64	D	96.3	Very high	95.7	Very high	55 Å²	55	38.8 Å²	38.8	29%	0.294	21%	0.209	S	C	.	.			trans	-102.6	111.8	-166	-67.1	-40.6	0	0	0	110.8	A54 G62 Q141	A54-D64 HydrophobicContact CB-CB 3.93Å; G62-D64 VanDerWaalsContact C-N 3.33Å; D64-Q141 HydrophobicContact CB-CG 4.42Å
65	P	96.4	Very high	95.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.241	C	C	.	.			trans	-73.7	-25.6	-176	-17.1	30.7	0	0	0	114.9	F58 A144 R145 F148	F58-P65 HydrophobicContact CD2-CB 4.06Å; F58-P65 HydrophobicContact CD2-CG 3.89Å; F58-P65 HydrophobicContact CE2-CB 4.28Å; F58-P65 HydrophobicContact CE2-CG 3.71Å; F58-P65 HydrophobicContact CG-CB 4.2Å; F58-P65 HydrophobicContact CG-CG 4.5Å; F58-P65 HydrophobicContact CZ-CG 4.16Å; P65-A144 HydrophobicContact CB-CB 4.13Å; P65-A144 HydrophobicContact CG-CB 4.13Å; P65-R145 HydrophobicContact CG-CB 4.47Å; P65-R145 HydrophobicContact CG-CG 3.7Å; P65-F148 HydrophobicContact CB-CD2 3.42Å; P65-F148 VanDerWaalsContact CB-CD2 3.42Å; P65-F148 HydrophobicContact CB-CE2 3.49Å; P65-F148 VanDerWaalsContact CB-CE2 3.49Å; P65-F148 HydrophobicContact CB-CG 4.15Å; P65-F148 HydrophobicContact CB-CZ 4.29Å; P65-F148 HydrophobicContact CG-CD2 3.95Å; P65-F148 HydrophobicContact CG-CE2 4.5Å; P65-F148 HydrophobicContact CG-CG 4.43Å
66	L	97.7	Very high	95.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.208	C	C	.	.			trans	-86.2	120	-179.6	-50.7	171.3	0	0	0	109.6	A54 I69 T90 N91 L93 L140 Q141 A144	A54-L66 WeakPolarHBondContact CB-O 3.34Å; L66-I69 HydrophobicContact CB-CD1 4.43Å; L66-I69 HydrophobicContact CB-CG1 4.27Å; L66-I69 HydrophobicContact CD1-CD1 3.84Å; L66-I69 HydrophobicContact CD1-CG1 4.19Å; L66-T90 HydrophobicContact CD1-CG2 3.51Å; L66-T90 HydrophobicContact CD2-CG2 4.44Å; L66-N91 CarbonylContact C-O 3.57Å; L66-L93 HydrophobicContact CD2-CD1 3.98Å; L66-L93 HydrophobicContact CD2-CG 3.78Å; L66-L140 HydrophobicContact CD1-CB 3.9Å; L66-Q141 PolarHBondContact O-NE2 3.12Å; L66-A144 HydrophobicContact CD1-CB 3.94Å; L66-A144 HydrophobicContact CD2-CB 3.67Å; L66-A144 HydrophobicContact CG-CB 3.58Å
67	D	96.9	Very high	95.7	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	19%	0.194	C	C	.	.	S	Bend	trans	-71.8	-37.6	-179.2	-74.9	-36.3	0	0	0	112.6	T53 A54 K57 W59 N91 L96 Y97	T53-D67 WeakPolarHBondContact CA-O 3.47Å; T53-D67 WeakPolarHBondContact CB-O 3.37Å; T53-D67 PolarHBondContact OG1-O 3.48Å; A54-D67 PolarHBondContact N-O 2.78Å; A54-D67 VanDerWaalsContact N-O 3.14Å; K57-D67 HydrophobicContact CD-CB 4.29Å; K57-D67 WeakPolarHBondContact CD-OD1 3.26Å; K57-D67 PolarHBondContact NZ-O 2.69Å; K57-D67 IonicContact NZ-OD1 3.51Å; W59-D67 WeakPolarHBondContact CH2-OD1 3.11Å; W59-D67 WeakPolarHBondContact CH2-OD2 3.43Å; W59-D67 VanDerWaalsContact CZ3-OD1 3.23Å; W59-D67 WeakPolarHBondContact CZ3-OD1 3.36Å; W59-D67 WeakPolarHBondContact CZ3-OD2 3.18Å; D67-N91 PolarHBondContact N-O 3.4Å; D67-L96 HydrophobicContact CB-CD1 4.22Å; D67-Y97 WeakPolarHBondContact OD2-CE2 3.15Å; D67-Y97 PolarHBondContact OD2-OH 2.71Å
68	F	97.6	Very high	95.6	Very high	33 Å²	33	36.1 Å²	36.1	15%	0.145	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	135.8	-174	-47.2	-76.8	0	0	0	110.1	L32 Q51 V52 T53 T90 N91 L96	L32-F68 HydrophobicContact CD1-CD2 3.89Å; L32-F68 HydrophobicContact CD1-CE2 4.33Å; L32-F68 HydrophobicContact CD2-CD2 4.03Å; L32-F68 HydrophobicContact CD2-CE2 3.66Å; L32-F68 HydrophobicContact CD2-CZ 4.42Å; Q51-F68 HydrophobicContact CG-CB 4.16Å; Q51-F68 HydrophobicContact CG-CD1 4.37Å; V52-F68 CarbonylContact O-C 3.23Å; V52-F68 WeakPolarHBondContact O-CA 3.33Å; T53-F68 VanDerWaalsContact OG1-CD1 3.28Å; T53-F68 WeakPolarHBondContact OG1-CD1 3.46Å; T53-F68 WeakPolarHBondContact OG1-CE1 3.42Å; F68-T90 CarbonylContact O-C 3.56Å; F68-N91 HydrophobicContact CB-CB 4.09Å; F68-N91 HydrophobicContact CD2-CB 4.25Å; F68-N91 PolarHBondContact N-O 3.42Å; F68-N91 PolarHBondContact O-N 3.08Å; F68-N91 PolarHBondContact O-ND2 2.94Å; F68-L96 HydrophobicContact CD2-CD1 4.42Å
69	I	98.2	Very high	95.4	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	107.8	170.6	-57.4	177.8	0	0	0	106.4	Q51 V52 L66 M71 Y88 V89 T90 A137 L140 Q141	Q51-I69 WeakPolarHBondContact CA-O 3.31Å; V52-I69 PolarHBondContact N-O 3.48Å; V52-I69 PolarHBondContact O-N 2.75Å; L66-I69 HydrophobicContact CB-CD1 4.43Å; L66-I69 HydrophobicContact CB-CG1 4.27Å; L66-I69 HydrophobicContact CD1-CD1 3.84Å; L66-I69 HydrophobicContact CD1-CG1 4.19Å; I69-M71 HydrophobicContact CG2-CE 4.22Å; I69-Y88 HydrophobicContact CG2-CD1 4.29Å; I69-V89 WeakPolarHBondContact CA-O 3.38Å; I69-T90 HydrophobicContact CG1-CG2 4.37Å; I69-A137 HydrophobicContact CD1-CB 3.88Å; I69-L140 HydrophobicContact CD1-CB 4.07Å; I69-L140 HydrophobicContact CD1-CD1 4.39Å; I69-L140 HydrophobicContact CG2-CD1 4Å; I69-Q141 HydrophobicContact CD1-CG 4.28Å
70	N	98	Very high	95.4	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.016	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	143.5	176.9	-62.4	-42.5	0	0	0	109.4	P49 Q51 Y72 Y88 V89 N91	P49-N70 HydrophobicContact CG-CB 4.22Å; Q51-N70 PolarHBondContact NE2-OD1 3.3Å; N70-Y72 HydrophobicContact CB-CD2 4.28Å; N70-Y72 HydrophobicContact CB-CE2 3.58Å; N70-Y88 VanDerWaalsContact O-CA 3.29Å; N70-Y88 WeakPolarHBondContact O-CA 3.47Å; N70-V89 PolarHBondContact N-O 3.46Å; N70-V89 PolarHBondContact O-N 3.12Å; N70-N91 PolarHBondContact ND2-ND2 3.3Å
71	M	98.1	Very high	95.3	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.02	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	104.4	-177.4	-50.5	-178.8	173.8	0	0	109.3	P49 L50 V52 I69 Y88 P132 A137	P49-M71 WeakPolarHBondContact CB-O 3.27Å; L50-M71 HydrophobicContact CB-CB 4.35Å; L50-M71 HydrophobicContact CD2-SD 4.2Å; L50-M71 PolarHBondContact N-O 3.25Å; L50-M71 WeakPolarHBondContact O-CB 3.4Å; L50-M71 PolarHBondContact O-N 3.02Å; V52-M71 HydrophobicContact CB-CE 3.95Å; V52-M71 HydrophobicContact CG2-CE 3.41Å; V52-M71 VanDerWaalsContact CG2-CE 3.41Å; V52-M71 HydrophobicContact CG2-SD 4.36Å; I69-M71 HydrophobicContact CG2-CE 4.22Å; M71-Y88 HydrophobicContact CB-CD1 4.41Å; M71-Y88 HydrophobicContact CB-CE1 4.35Å; M71-Y88 HydrophobicContact CE-CD1 3.95Å; M71-Y88 HydrophobicContact CE-CE1 3.77Å; M71-Y88 HydrophobicContact CG-CD1 3.69Å; M71-Y88 HydrophobicContact CG-CE1 3.74Å; M71-Y88 HydrophobicContact SD-CD1 4.16Å; M71-Y88 HydrophobicContact SD-CE1 3.69Å; M71-P132 HydrophobicContact CB-CB 3.9Å; M71-P132 HydrophobicContact CB-CG 3.52Å; M71-P132 HydrophobicContact CG-CG 4.39Å; M71-P132 HydrophobicContact SD-CB 4.23Å; M71-P132 HydrophobicContact SD-CG 4.09Å; M71-A137 HydrophobicContact CE-CB 4Å
72	Y	98.2	Very high	95.4	Very high	7 Å²	7	40.6 Å²	40.6	3%	0.027	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	146.9	-178	-63.6	-85	0	0	0	111.4	C39 Y43 Q46 P49 N70 W86 H87 V89	C39-Y72 HydrophobicContact CB-CE2 3.95Å; C39-Y72 WeakPolarHBondContact CB-OH 3.29Å; Y43-Y72 HydrophobicContact CD1-CD1 4.33Å; Y43-Y72 HydrophobicContact CD1-CG 4.43Å; Y43-Y72 AromaticContact CD2-CD1 3.38Å; Y43-Y72 HydrophobicContact CD2-CD1 3.38Å; Y43-Y72 AromaticContact CD2-CD2 3.8Å; Y43-Y72 HydrophobicContact CD2-CD2 3.8Å; Y43-Y72 AromaticContact CD2-CE1 3.85Å; Y43-Y72 HydrophobicContact CD2-CE1 3.85Å; Y43-Y72 HydrophobicContact CD2-CE2 4.23Å; Y43-Y72 AromaticContact CD2-CG 3.35Å; Y43-Y72 HydrophobicContact CD2-CG 3.35Å; Y43-Y72 HydrophobicContact CE2-CD1 4.1Å; Y43-Y72 AromaticContact CE2-CD2 3.81Å; Y43-Y72 HydrophobicContact CE2-CD2 3.81Å; Y43-Y72 AromaticContact CE2-CG 3.58Å; Y43-Y72 HydrophobicContact CE2-CG 3.58Å; Y43-Y72 AromaticContact CG-CD1 3.51Å; Y43-Y72 HydrophobicContact CG-CD1 3.51Å; Y43-Y72 HydrophobicContact CG-CE1 4.14Å; Y43-Y72 AromaticContact CG-CG 3.83Å; Y43-Y72 HydrophobicContact CG-CG 3.83Å; Q46-Y72 HydrophobicContact CB-CD1 4.13Å; Q46-Y72 HydrophobicContact CB-CE1 4.48Å; P49-Y72 HydrophobicContact CB-CD1 3.79Å; P49-Y72 HydrophobicContact CB-CE1 3.64Å; P49-Y72 HydrophobicContact CB-CG 4.3Å; P49-Y72 HydrophobicContact CG-CD1 4.32Å; P49-Y72 HydrophobicContact CG-CE1 3.65Å; P49-Y72 HydrophobicContact CG-CE2 4.4Å; N70-Y72 HydrophobicContact CB-CD2 4.28Å; N70-Y72 HydrophobicContact CB-CE2 3.58Å; Y72-W86 WeakPolarHBondContact O-CA 3.42Å; Y72-H87 PolarHBondContact N-O 3.41Å; Y72-H87 PolarHBondContact O-N 3.37Å; Y72-V89 HydrophobicContact CD2-CG2 4.44Å; Y72-V89 HydrophobicContact CE2-CG2 4.37Å
73	A	97.7	Very high	95.5	Very high	29 Å²	29	41 Å²	41	24%	0.24	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	116.3	166.2	0	0	0	0	0	109.1	Q46 W86	Q46-A73 PolarHBondContact NE2-O 2.98Å; A73-W86 HydrophobicContact CB-CE3 4.12Å; A73-W86 HydrophobicContact CB-CZ3 3.71Å
74	N	97	Very high	95.5	Very high	11 Å²	11	40.6 Å²	40.6	6%	0.059	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	125.7	173.6	-168.5	-57.9	0	0	0	109.2	Y43 G76 H85 R122 Q302	Y43-N74 HydrophobicContact CE1-CB 4.05Å; Y43-N74 PolarHBondContact OH-ND2 3.5Å; N74-G76 PolarHBondContact O-N 3.45Å; N74-G76 WeakPolarHBondContact OD1-CA 3.39Å; N74-G76 PolarHBondContact OD1-N 3.14Å; N74-H85 WeakPolarHBondContact CB-NE2 3.33Å; N74-H85 VanDerWaalsContact CG-NE2 3.34Å; N74-H85 PolarHBondContact N-O 2.97Å; N74-H85 PolarHBondContact O-N 3.14Å; N74-H85 VanDerWaalsContact O-O 3.08Å; N74-H85 PolarHBondContact OD1-CE1 2.88Å; N74-H85 VanDerWaalsContact OD1-CE1 3.24Å; N74-R122 PolarHBondContact ND2-NH1 3.27Å; N74-Q302 PolarHBondContact ND2-OE1 2.95Å
75	P	94.9	Very high	95.6	Very high	107 Å²	107	38 Å²	38	70%	0.695	23%	0.227	S	C	*	.			trans	-70.6	-8.6	-178.8	30	-35.6	0	0	0	113.6	P84	P75-P84 WeakPolarHBondContact O-CG 3.39Å
76	G	93.5	Very high	95.7	Very high	18 Å²	18	38.4 Å²	38.4	19%	0.186	23%	0.229	C	C	.	.			trans	83.5	-171.8	-167.6	0	0	0	0	0	111.8	N74 S82 P83	N74-G76 PolarHBondContact O-N 3.45Å; N74-G76 WeakPolarHBondContact OD1-CA 3.39Å; N74-G76 PolarHBondContact OD1-N 3.14Å; G76-S82 WeakPolarHBondContact CA-O 3.35Å; G76-P83 WeakPolarHBondContact CA-O 3.47Å
77	S	92.1	Very high	95.7	Very high	33 Å²	33	38.4 Å²	38.4	23%	0.231	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-148	127.9	175.4	170.6	0	0	0	0	109.2	E79 L80 Q81 S82	S77-E79 VanDerWaalsContact C-N 3.34Å; S77-E79 PolarHBondContact OG-N 2.79Å; S77-L80 PolarHBondContact OG-N 3.28Å; S77-Q81 PolarHBondContact O-N 3.41Å; S77-S82 PolarHBondContact N-O 2.94Å; S77-S82 VanDerWaalsContact N-O 3.09Å; S77-S82 PolarHBondContact O-N 3.41Å
78	A	91.7	Very high	95.8	Very high	101 Å²	101	38.3 Å²	38.3	84%	0.835	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-34.6	177	0	0	0	0	0	112.1	Q81	A78-Q81 PolarHBondContact O-N 3.36Å
79	E	91.1	Very high	95.9	Very high	178 Å²	178	36.8 Å²	36.8	83%	0.832	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-48.1	177.4	179.1	179	-161.2	0	0	111.4	S77 Q81	S77-E79 VanDerWaalsContact C-N 3.34Å; S77-E79 PolarHBondContact OG-N 2.79Å; E79-Q81 PolarHBondContact O-N 3.15Å
80	L	91.2	Very high	95.9	Very high	73 Å²	73	36.7 Å²	36.7	38%	0.382	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	10.4	177.5	-58.9	176.3	0	0	0	113.1	S77 S82 G350 L351	S77-L80 PolarHBondContact OG-N 3.28Å; L80-S82 PolarHBondContact O-N 2.77Å; L80-G350 WeakPolarHBondContact O-CA 3.35Å; L80-G350 PolarHBondContact O-N 3.33Å; L80-L351 HydrophobicContact CB-CG 4.45Å; L80-L351 HydrophobicContact CD1-CD1 4.42Å; L80-L351 HydrophobicContact CD1-CD2 3.63Å; L80-L351 HydrophobicContact CD1-CG 3.91Å
81	Q	93	Very high	95.9	Very high	106 Å²	106	36.6 Å²	36.6	50%	0.495	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.5	33.8	-174.1	-55.2	-170.6	12.2	0	0	114.2	S77 A78 E79 L345	S77-Q81 PolarHBondContact O-N 3.41Å; A78-Q81 PolarHBondContact O-N 3.36Å; E79-Q81 PolarHBondContact O-N 3.15Å; Q81-L345 HydrophobicContact CB-CB 4.47Å; Q81-L345 WeakPolarHBondContact O-CD1 3.45Å
82	S	94.2	Very high	95.8	Very high	8 Å²	8	36.4 Å²	36.4	6%	0.056	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-91.9	128.4	-178.4	170.8	0	0	0	0	110.8	G76 S77 L80 V353	G76-S82 WeakPolarHBondContact CA-O 3.35Å; S77-S82 PolarHBondContact N-O 2.94Å; S77-S82 VanDerWaalsContact N-O 3.09Å; S77-S82 PolarHBondContact O-N 3.41Å; L80-S82 PolarHBondContact O-N 2.77Å; S82-V353 WeakPolarHBondContact OG-CG2 3.44Å
83	P	95.8	Very high	95.7	Very high	14 Å²	14	36.1 Å²	36.1	9%	0.091	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-69.7	163.8	171.7	31.6	-35	0	0	0	111.9	G76 H85 K124 V353	G76-P83 WeakPolarHBondContact CA-O 3.47Å; P83-H85 PolarHBondContact O-ND1 3.19Å; P83-K124 HydrophobicContact CB-CG 4.26Å; P83-K124 HydrophobicContact CG-CD 4.41Å; P83-K124 HydrophobicContact CG-CG 4.18Å; P83-V353 HydrophobicContact CG-CB 3.97Å; P83-V353 HydrophobicContact CG-CG1 4.03Å; P83-V353 HydrophobicContact CG-CG2 4.21Å
84	P	96.6	Very high	95.6	Very high	70 Å²	70	34.8 Å²	34.8	46%	0.455	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-60	137.3	168.2	-19.3	30.8	0	0	0	111.4	P75 R125	P75-P84 WeakPolarHBondContact O-CG 3.39Å; P84-R125 PolarHBondContact O-N 3.32Å
85	H	98	Very high	95.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	165.8	-170.2	61.8	-89.9	0	0	0	113.6	N74 P83 R122 V123 V353	N74-H85 WeakPolarHBondContact CB-NE2 3.33Å; N74-H85 VanDerWaalsContact CG-NE2 3.34Å; N74-H85 PolarHBondContact N-O 2.97Å; N74-H85 PolarHBondContact O-N 3.14Å; N74-H85 VanDerWaalsContact O-O 3.08Å; N74-H85 PolarHBondContact OD1-CE1 2.88Å; N74-H85 VanDerWaalsContact OD1-CE1 3.24Å; P83-H85 PolarHBondContact O-ND1 3.19Å; H85-R122 WeakPolarHBondContact NE2-CD 3.3Å; H85-R122 PolarHBondContact NE2-NH1 3.39Å; H85-V123 CarbonylContact C-O 3.54Å; H85-V123 VanDerWaalsContact CA-O 3.29Å; H85-V123 WeakPolarHBondContact CA-O 3.27Å; H85-V123 VanDerWaalsContact CB-O 3.24Å; H85-V123 WeakPolarHBondContact CB-O 3.46Å; H85-V353 HydrophobicContact CB-CG1 3.56Å; H85-V353 HydrophobicContact CB-CG2 4.19Å; H85-V353 WeakPolarHBondContact ND1-CG2 3.37Å
86	W	98.3	Very high	95.6	Very high	9 Å²	9	29.5 Å²	29.5	3%	0.034	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	128.3	168.2	-54.2	109.8	0	0	0	109.2	Y72 A73 Y88 R122 V123 R125 E129 N131 P132 P133	Y72-W86 WeakPolarHBondContact O-CA 3.42Å; A73-W86 HydrophobicContact CB-CE3 4.12Å; A73-W86 HydrophobicContact CB-CZ3 3.71Å; W86-Y88 HydrophobicContact CB-CE2 3.7Å; W86-R122 WeakPolarHBondContact O-CA 3.23Å; W86-V123 PolarHBondContact N-O 2.74Å; W86-V123 PolarHBondContact O-N 2.86Å; W86-R125 HydrophobicContact CZ2-CG 3.86Å; W86-E129 HydrophobicContact CZ2-CG 4.09Å; W86-E129 PolarHBondContact NE1-OE2 3.07Å; W86-N131 VanDerWaalsContact CZ2-C 3.45Å; W86-P132 HydrophobicContact CB-CB 4.06Å; W86-P132 HydrophobicContact CD2-CB 3.57Å; W86-P132 HydrophobicContact CD2-CG 4.45Å; W86-P132 HydrophobicContact CE3-CB 3.6Å; W86-P132 HydrophobicContact CE3-CG 4Å; W86-P132 HydrophobicContact CG-CB 3.78Å; W86-P132 HydrophobicContact CZ3-CB 4.21Å; W86-P132 HydrophobicContact CZ3-CG 4.22Å; W86-P133 VanDerWaalsContact CD1-CD 3.48Å
87	H	98.4	Very high	95.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	118.1	177.9	-177	-144.5	0	0	0	109.8	Y43 Y72 T120 F121 R122 D300 L303	Y43-H87 AromaticContact CE2-ND1 3.42Å; Y43-H87 WeakPolarHBondContact CE2-ND1 3.44Å; Y43-H87 AromaticContact CZ-ND1 3.55Å; Y43-H87 WeakPolarHBondContact OH-CB 3.45Å; Y43-H87 PolarHBondContact OH-ND1 3.43Å; Y72-H87 PolarHBondContact N-O 3.41Å; Y72-H87 PolarHBondContact O-N 3.37Å; H87-T120 WeakPolarHBondContact NE2-CB 3.14Å; H87-T120 PolarHBondContact NE2-OG1 3.48Å; H87-T120 VanDerWaalsContact NE2-OG1 3.11Å; H87-F121 WeakPolarHBondContact CA-O 3.49Å; H87-R122 PolarHBondContact NE2-NH2 2.84Å; H87-D300 IonicContact CD2-OD2 3.18Å; H87-D300 IonicContact CE1-OD1 3.49Å; H87-D300 IonicContact CE1-OD2 3.91Å; H87-D300 PolarHBondContact CE1-OD2 2.85Å; H87-D300 IonicContact NE2-OD1 2.76Å; H87-D300 PolarHBondContact NE2-OD1 2.75Å; H87-D300 IonicContact NE2-OD2 3.46Å; H87-D300 PolarHBondContact NE2-OD2 2.89Å; H87-L303 WeakPolarHBondContact CE1-CD1 3.37Å; H87-L303 WeakPolarHBondContact CE1-CG 3.36Å
88	Y	98.7	Very high	95.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	135.5	179.6	-59.3	-100	0	0	0	109	I69 N70 M71 W86 T120 F121 V123 P133 P136	I69-Y88 HydrophobicContact CG2-CD1 4.29Å; N70-Y88 VanDerWaalsContact O-CA 3.29Å; N70-Y88 WeakPolarHBondContact O-CA 3.47Å; M71-Y88 HydrophobicContact CB-CD1 4.41Å; M71-Y88 HydrophobicContact CB-CE1 4.35Å; M71-Y88 HydrophobicContact CE-CD1 3.95Å; M71-Y88 HydrophobicContact CE-CE1 3.77Å; M71-Y88 HydrophobicContact CG-CD1 3.69Å; M71-Y88 HydrophobicContact CG-CE1 3.74Å; M71-Y88 HydrophobicContact SD-CD1 4.16Å; M71-Y88 HydrophobicContact SD-CE1 3.69Å; W86-Y88 HydrophobicContact CB-CE2 3.7Å; Y88-T120 CarbonylContact O-C 3.4Å; Y88-T120 WeakPolarHBondContact O-CA 3.27Å; Y88-T120 VanDerWaalsContact O-CB 3.29Å; Y88-T120 WeakPolarHBondContact O-CB 3.47Å; Y88-F121 HydrophobicContact CD2-CB 4.35Å; Y88-F121 HydrophobicContact CD2-CD1 4.34Å; Y88-F121 PolarHBondContact N-O 2.88Å; Y88-F121 PolarHBondContact O-N 3.39Å; Y88-V123 HydrophobicContact CD2-CG2 4.3Å; Y88-V123 HydrophobicContact CE2-CB 4.11Å; Y88-V123 HydrophobicContact CE2-CG2 3.75Å; Y88-P133 WeakPolarHBondContact CE1-O 3.47Å; Y88-P133 WeakPolarHBondContact OH-CD 3.5Å; Y88-P133 WeakPolarHBondContact OH-CG 3.16Å; Y88-P133 PolarHBondContact OH-O 3.17Å; Y88-P136 HydrophobicContact CD1-CB 4.18Å; Y88-P136 HydrophobicContact CD2-CB 4.44Å; Y88-P136 HydrophobicContact CE1-CB 3.99Å; Y88-P136 HydrophobicContact CE1-CG 3.93Å; Y88-P136 HydrophobicContact CE2-CB 4.28Å; Y88-P136 HydrophobicContact CE2-CG 3.98Å; Y88-P136 HydrophobicContact CG-CB 4.42Å
89	V	98.5	Very high	95.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	121.3	176.1	-175.6	0	0	0	0	109.3	I35 I69 N70 Y72 N91 T120 L303 F315	I35-V89 HydrophobicContact CG2-CG1 4.34Å; I69-V89 WeakPolarHBondContact CA-O 3.38Å; N70-V89 PolarHBondContact N-O 3.46Å; N70-V89 PolarHBondContact O-N 3.12Å; Y72-V89 HydrophobicContact CD2-CG2 4.44Å; Y72-V89 HydrophobicContact CE2-CG2 4.37Å; V89-N91 PolarHBondContact O-ND2 2.99Å; V89-T120 HydrophobicContact CG1-CG2 4.35Å; V89-T120 HydrophobicContact CG2-CG2 4.23Å; V89-L303 HydrophobicContact CG1-CD1 4.31Å; V89-L303 HydrophobicContact CG2-CD1 3.78Å; V89-F315 HydrophobicContact CG1-CD1 4.31Å; V89-F315 HydrophobicContact CG1-CE1 4.04Å
90	T	98.5	Very high	95.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	160.9	179.5	69.7	0	0	0	0	112.7	L66 F68 I69 E118 L119 L140	L66-T90 HydrophobicContact CD1-CG2 3.51Å; L66-T90 HydrophobicContact CD2-CG2 4.44Å; F68-T90 CarbonylContact O-C 3.56Å; I69-T90 HydrophobicContact CG1-CG2 4.37Å; T90-E118 WeakPolarHBondContact CB-OE2 3.41Å; T90-E118 WeakPolarHBondContact O-CG 3.5Å; T90-E118 PolarHBondContact OG1-OE2 3.08Å; T90-L119 HydrophobicContact CG2-CB 3.96Å; T90-L119 WeakPolarHBondContact CG2-O 3.49Å; T90-L119 PolarHBondContact N-O 3.45Å; T90-L119 PolarHBondContact OG1-N 2.92Å; T90-L119 PolarHBondContact OG1-O 2.65Å; T90-L140 HydrophobicContact CG2-CB 4.04Å; T90-L140 HydrophobicContact CG2-CD1 3.93Å; T90-L140 HydrophobicContact CG2-CD2 3.88Å; T90-L140 HydrophobicContact CG2-CG 4.17Å
91	N	97.7	Very high	95.5	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	116.1	173	-47.7	-108.6	0	0	0	107	L32 I35 L66 D67 F68 N70 V89 L96 E118	L32-N91 HydrophobicContact CD1-CB 3.76Å; L32-N91 VanDerWaalsContact CD1-OD1 3.29Å; L32-N91 WeakPolarHBondContact CD1-OD1 3.33Å; I35-N91 WeakPolarHBondContact CG2-OD1 3.49Å; L66-N91 CarbonylContact C-O 3.57Å; D67-N91 PolarHBondContact N-O 3.4Å; F68-N91 HydrophobicContact CB-CB 4.09Å; F68-N91 HydrophobicContact CD2-CB 4.25Å; F68-N91 PolarHBondContact N-O 3.42Å; F68-N91 PolarHBondContact O-N 3.08Å; F68-N91 PolarHBondContact O-ND2 2.94Å; N70-N91 PolarHBondContact ND2-ND2 3.3Å; V89-N91 PolarHBondContact O-ND2 2.99Å; N91-L96 HydrophobicContact CB-CD1 3.97Å; N91-L96 HydrophobicContact CB-CD2 4Å; N91-E118 WeakPolarHBondContact CA-OE1 3.37Å; N91-E118 WeakPolarHBondContact CA-OE2 3.33Å; N91-E118 PolarHBondContact N-OE2 3.02Å
92	G	96.4	Very high	95.3	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.01	12%	0.117	C	C	.	.	S	Bend	trans	147.2	-17.2	175.7	0	0	0	0	0	114.8	S94 H103 E118	G92-S94 CarbonylContact C-O 3.56Å; G92-H103 PolarHBondContact O-NE2 3.31Å; G92-E118 PolarHBondContact N-OE1 3.18Å; G92-E118 PolarHBondContact N-OE2 2.94Å
93	L	96.9	Very high	95.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	-75.8	-33	170.9	-75	159.5	0	0	0	111.2	L66 H103 F115 F117 E118 L119 A144 V147 F148	L66-L93 HydrophobicContact CD2-CD1 3.98Å; L66-L93 HydrophobicContact CD2-CG 3.78Å; L93-H103 PolarHBondContact O-CE1 3Å; L93-H103 PolarHBondContact O-NE2 3.47Å; L93-F115 HydrophobicContact CD2-CD2 3.88Å; L93-F115 HydrophobicContact CD2-CE2 4.42Å; L93-F115 WeakPolarHBondContact O-CD2 3.28Å; L93-F115 PolarHBondContact O-N 2.97Å; L93-F117 WeakPolarHBondContact CB-O 3.35Å; L93-F117 HydrophobicContact CD1-CD2 4.35Å; L93-F117 HydrophobicContact CD1-CE2 3.93Å; L93-E118 PolarHBondContact N-OE1 3.12Å; L93-E118 PolarHBondContact N-OE2 2.89Å; L93-L119 HydrophobicContact CD1-CB 4.43Å; L93-L119 HydrophobicContact CD1-CD1 3.92Å; L93-L119 HydrophobicContact CD1-CG 3.74Å; L93-A144 HydrophobicContact CD2-CB 4.34Å; L93-V147 HydrophobicContact CD2-CB 4.03Å; L93-V147 HydrophobicContact CD2-CG1 3.75Å; L93-V147 HydrophobicContact CD2-CG2 4.5Å; L93-F148 HydrophobicContact CD2-CD2 4.24Å; L93-F148 HydrophobicContact CD2-CE2 3.99Å
94	S	96.1	Very high	94.7	Very high	1 Å²	1	24 Å²	24	1%	0.007	14%	0.144	C	C	.	.	S	Bend	trans	-80.4	162	166.2	64.7	0	0	0	0	112.2	G92 L96 H103 S113 E118 V313	G92-S94 CarbonylContact C-O 3.56Å; S94-L96 PolarHBondContact O-N 2.58Å; S94-H103 PolarHBondContact O-CD2 3.4Å; S94-H103 PolarHBondContact O-NE2 3.29Å; S94-H103 VanDerWaalsContact O-NE2 3.15Å; S94-S113 VanDerWaalsContact CA-O 3.31Å; S94-S113 WeakPolarHBondContact CA-O 3.22Å; S94-E118 WeakPolarHBondContact CB-OE1 3.23Å; S94-E118 PolarHBondContact N-OE1 3.24Å; S94-E118 PolarHBondContact OG-OE1 3.41Å; S94-V313 VanDerWaalsContact CB-CG2 3.49Å
95	D	95.8	Very high	93.7	Very high	5 Å²	5	25 Å²	25	3%	0.027	14%	0.143	C	C	.	.			trans	-74.9	107.8	167.1	-167.1	-5.9	0	0	0	109.8	Y97 G98 H103 S113 Y310	D95-Y97 PolarHBondContact OD1-N 3.49Å; D95-G98 VanDerWaalsContact CG-N 3.27Å; D95-G98 PolarHBondContact OD1-N 3.12Å; D95-G98 WeakPolarHBondContact OD2-CA 3.44Å; D95-G98 PolarHBondContact OD2-N 2.7Å; D95-H103 HydrophobicContact CB-CB 4Å; D95-S113 WeakPolarHBondContact CA-OG 3.12Å; D95-S113 WeakPolarHBondContact CB-OG 3.25Å; D95-S113 PolarHBondContact N-OG 2.96Å; D95-S113 PolarHBondContact O-OG 3.44Å; D95-Y310 HydrophobicContact CB-CD2 4.44Å; D95-Y310 WeakPolarHBondContact O-CD2 3.48Å
96	L	96	Very high	92.4	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.016	16%	0.155	C	C	.	.	S	Bend	trans	-78.2	-21.8	176.3	-57.9	-177.1	0	0	0	112.6	A29 G31 L32 I35 D67 F68 N91 S94	A29-L96 CarbonylContact C-O 3.56Å; A29-L96 VanDerWaalsContact C-O 3.23Å; A29-L96 WeakPolarHBondContact CA-O 3.35Å; G31-L96 PolarHBondContact N-O 3.15Å; L32-L96 HydrophobicContact CB-CB 4.3Å; L32-L96 HydrophobicContact CB-CD2 4.27Å; L32-L96 HydrophobicContact CD1-CD1 4.23Å; L32-L96 HydrophobicContact CD1-CD2 4.11Å; I35-L96 HydrophobicContact CD1-CD2 3.76Å; D67-L96 HydrophobicContact CB-CD1 4.22Å; F68-L96 HydrophobicContact CD2-CD1 4.42Å; N91-L96 HydrophobicContact CB-CD1 3.97Å; N91-L96 HydrophobicContact CB-CD2 4Å; S94-L96 PolarHBondContact O-N 2.58Å
97	Y	94.9	Very high	91	Very high	38 Å²	38	34 Å²	34	15%	0.149	19%	0.189	C	C	.	.	S	Bend	trans	-125.9	-30.3	-158.5	-62.5	-69.1	0	0	0	115.9	A29 W59 D67 D95 D99 R101 Y310	A29-Y97 HydrophobicContact CB-CD1 3.69Å; A29-Y97 HydrophobicContact CB-CE1 3.67Å; W59-Y97 HydrophobicContact CH2-CD2 4.32Å; W59-Y97 AromaticContact CH2-CE2 3.36Å; W59-Y97 HydrophobicContact CH2-CE2 3.36Å; W59-Y97 AromaticContact CH2-CZ 3.75Å; W59-Y97 HydrophobicContact CZ2-CE2 4.2Å; W59-Y97 HydrophobicContact CZ3-CD2 4.39Å; W59-Y97 AromaticContact CZ3-CE2 3.67Å; W59-Y97 HydrophobicContact CZ3-CE2 3.67Å; D67-Y97 WeakPolarHBondContact OD2-CE2 3.15Å; D67-Y97 PolarHBondContact OD2-OH 2.71Å; D95-Y97 PolarHBondContact OD1-N 3.49Å; Y97-D99 PolarHBondContact O-N 3.23Å; Y97-R101 HydrophobicContact CD2-CG 4.24Å; Y97-R101 VanDerWaalsContact CE1-NH1 3.32Å; Y97-R101 VanDerWaalsContact CG-CZ 3.41Å; Y97-Y310 PolarHBondContact O-OH 3.33Å; Y97-Y310 VanDerWaalsContact O-OH 3.13Å
98	G	90.5	Very high	89.9	Confident	9 Å²	9	36.5 Å²	36.5	9%	0.093	21%	0.206	C	C	.	.	S	Bend	trans	76.6	-7	177.9	0	0	0	0	0	116.2	D95 H105 Y310	D95-G98 VanDerWaalsContact CG-N 3.27Å; D95-G98 PolarHBondContact OD1-N 3.12Å; D95-G98 WeakPolarHBondContact OD2-CA 3.44Å; D95-G98 PolarHBondContact OD2-N 2.7Å; G98-H105 PolarHBondContact O-ND1 2.87Å; G98-Y310 VanDerWaalsContact CA-CE1 3.48Å
99	D	91.3	Very high	89	Confident	88 Å²	88	39.8 Å²	39.8	47%	0.471	23%	0.226	S	C	.	.	S	Bend	trans	-97.6	15.2	-166.8	71	-9.3	0	0	0	114.7	Y97 R101	Y97-D99 PolarHBondContact O-N 3.23Å; D99-R101 PolarHBondContact O-N 2.99Å; D99-R101 WeakPolarHBondContact OD1-CB 3.5Å; D99-R101 VanDerWaalsContact OD1-CG 3.27Å; D99-R101 WeakPolarHBondContact OD1-CG 3.34Å; D99-R101 IonicContact OD1-CZ 3.8Å; D99-R101 PolarHBondContact OD1-N 2.89Å; D99-R101 IonicContact OD1-NE 3.84Å; D99-R101 PolarHBondContact OD1-NE 3.49Å; D99-R101 IonicContact OD1-NH2 2.85Å; D99-R101 IonicContact OD2-CZ 3.29Å; D99-R101 VanDerWaalsContact OD2-CZ 3.29Å; D99-R101 IonicContact OD2-NE 3.08Å; D99-R101 PolarHBondContact OD2-NE 3.3Å; D99-R101 VanDerWaalsContact OD2-NE 3.08Å; D99-R101 IonicContact OD2-NH2 2.68Å; D99-R101 PolarHBondContact OD2-NH2 3.34Å
100	S	88.7	Confident	88.3	Confident	71 Å²	71	45.2 Å²	45.2	50%	0.497	26%	0.255	S	S	.	.	S	Bend	trans	61.4	18	-178.5	-52.3	0	0	0	0	116.3	L102 H103 H105	S100-L102 PolarHBondContact O-N 3.48Å; S100-H103 WeakPolarHBondContact CA-O 3.23Å; S100-H105 WeakPolarHBondContact OG-CB 3.43Å
101	R	90.1	Very high	87.9	Confident	82 Å²	82	46.1 Å²	46.1	31%	0.309	26%	0.264	S	S	.	.	S	Bend	trans	-67.2	-21	177.6	73.5	177.5	68.8	176.8	-5.5	114.7	W59 Y97 D99	W59-R101 HydrophobicContact CB-CB 4.49Å; W59-R101 WeakPolarHBondContact CB-O 3.43Å; W59-R101 HydrophobicContact CD2-CG 4.09Å; W59-R101 HydrophobicContact CE3-CG 4.21Å; W59-R101 HydrophobicContact CG-CB 4.31Å; W59-R101 HydrophobicContact CG-CG 4.25Å; Y97-R101 HydrophobicContact CD2-CG 4.24Å; Y97-R101 VanDerWaalsContact CE1-NH1 3.32Å; Y97-R101 VanDerWaalsContact CG-CZ 3.41Å; D99-R101 PolarHBondContact O-N 2.99Å; D99-R101 WeakPolarHBondContact OD1-CB 3.5Å; D99-R101 VanDerWaalsContact OD1-CG 3.27Å; D99-R101 WeakPolarHBondContact OD1-CG 3.34Å; D99-R101 IonicContact OD1-CZ 3.8Å; D99-R101 PolarHBondContact OD1-N 2.89Å; D99-R101 IonicContact OD1-NE 3.84Å; D99-R101 PolarHBondContact OD1-NE 3.49Å; D99-R101 IonicContact OD1-NH2 2.85Å; D99-R101 IonicContact OD2-CZ 3.29Å; D99-R101 VanDerWaalsContact OD2-CZ 3.29Å; D99-R101 IonicContact OD2-NE 3.08Å; D99-R101 PolarHBondContact OD2-NE 3.3Å; D99-R101 VanDerWaalsContact OD2-NE 3.08Å; D99-R101 IonicContact OD2-NH2 2.68Å; D99-R101 PolarHBondContact OD2-NH2 3.34Å
102	L	90.6	Very high	87.6	Confident	46 Å²	46	48.7 Å²	48.7	24%	0.241	28%	0.281	C	S	.	.	S	Bend	trans	-145.3	-60.1	-171.9	177.9	57.7	0	0	0	111.1	F58 W59 S100 F148	F58-L102 HydrophobicContact CD1-CD1 3.66Å; F58-L102 HydrophobicContact CE1-CD1 4.34Å; W59-L102 HydrophobicContact CE3-CB 4.44Å; W59-L102 HydrophobicContact CE3-CD2 4.32Å; S100-L102 PolarHBondContact O-N 3.48Å; L102-F148 HydrophobicContact CD1-CE1 3.64Å; L102-F148 HydrophobicContact CD1-CZ 4.19Å; L102-F148 HydrophobicContact CD2-CE1 4.24Å; L102-F148 HydrophobicContact CD2-CZ 3.93Å; L102-F148 HydrophobicContact CG-CE1 3.97Å; L102-F148 HydrophobicContact CG-CZ 4.15Å
103	H	91.3	Very high	87.5	Confident	19 Å²	19	48.6 Å²	48.6	9%	0.088	28%	0.28	C	S	.	.	S	Bend	trans	-89.1	151.2	175.9	-64.8	-71	0	0	0	110.7	G92 L93 S94 D95 S100 G114 F115 F148	G92-H103 PolarHBondContact O-NE2 3.31Å; L93-H103 PolarHBondContact O-CE1 3Å; L93-H103 PolarHBondContact O-NE2 3.47Å; S94-H103 PolarHBondContact O-CD2 3.4Å; S94-H103 PolarHBondContact O-NE2 3.29Å; S94-H103 VanDerWaalsContact O-NE2 3.15Å; D95-H103 HydrophobicContact CB-CB 4Å; S100-H103 WeakPolarHBondContact CA-O 3.23Å; H103-G114 WeakPolarHBondContact ND1-CA 3.29Å; H103-F115 AromaticContact CE1-CD2 3.82Å; H103-F148 AromaticContact CE1-CE1 3.96Å; H103-F148 AromaticContact CE1-CZ 3.57Å; H103-F148 AromaticContact NE2-CZ 3.86Å
104	G	84.6	Confident	87.4	Confident	61 Å²	61	49.9 Å²	49.9	63%	0.629	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-71.6	137.8	174.2	0	0	0	0	0	111.2	C106	G104-C106 PolarHBondContact O-N 3.4Å; G104-C106 VanDerWaalsContact O-N 3.13Å
105	H	76.2	Confident	87.3	Confident	93 Å²	93	51.3 Å²	51.3	43%	0.431	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-54.5	118.8	-178.9	-167.8	73.1	0	0	0	112.1	G98 S100 H107	G98-H105 PolarHBondContact O-ND1 2.87Å; S100-H105 WeakPolarHBondContact OG-CB 3.43Å; H105-H107 AromaticContact CD2-CE1 3.73Å; H105-H107 AromaticContact CD2-ND1 3.68Å
106	C	70.9	Confident	87.2	Confident	37 Å²	37	51.2 Å²	51.2	25%	0.25	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-80.8	137.3	174.7	-165.6	0	0	0	0	110.3	G104 S108 Y310	G104-C106 PolarHBondContact O-N 3.4Å; G104-C106 VanDerWaalsContact O-N 3.13Å; C106-S108 PolarHBondContact SG-O 3.3Å; C106-Y310 WeakPolarHBondContact CB-O 3.24Å
107	H	68	Low	87.3	Confident	161 Å²	161	51.4 Å²	51.4	75%	0.745	30%	0.301	S	S	*	.	S	Bend	trans	-101.4	5	-176.9	-62.2	-65.3	0	0	0	113.8	H105	H105-H107 AromaticContact CD2-CE1 3.73Å; H105-H107 AromaticContact CD2-ND1 3.68Å
108	S	76.3	Confident	87.4	Confident	52 Å²	52	49.6 Å²	49.6	36%	0.364	29%	0.294	S	S	.	.			trans	-147.6	145.1	177.5	177.4	0	0	0	0	111.6	C106 D110	C106-S108 PolarHBondContact SG-O 3.3Å; S108-D110 PolarHBondContact O-N 3.37Å; S108-D110 PolarHBondContact OG-N 3.41Å; S108-D110 PolarHBondContact OG-OD2 3.42Å
109	T	79.9	Confident	87.8	Confident	69 Å²	69	49.2 Å²	49.2	42%	0.423	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-20.2	169.2	43.6	0	0	0	0	113.5
110	D	84.4	Confident	88.1	Confident	113 Å²	113	45 Å²	45	60%	0.604	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-15.9	-172.6	-44.2	-26.1	0	0	0	111.7	S108 Y312	S108-D110 PolarHBondContact O-N 3.37Å; S108-D110 PolarHBondContact OG-N 3.41Å; S108-D110 PolarHBondContact OG-OD2 3.42Å; D110-Y312 WeakPolarHBondContact O-CD1 3.19Å; D110-Y312 WeakPolarHBondContact O-CE1 3.37Å
111	G	89.1	Confident	88.6	Confident	19 Å²	19	41.7 Å²	41.7	20%	0.196	24%	0.243	C	C	.	.	S	Bend	trans	-81.1	168.8	172.5	0	0	0	0	0	112.8	G311 Y312	G111-G311 CarbonylContact O-C 3.55Å; G111-G311 WeakPolarHBondContact O-CA 3.47Å; G111-Y312 VanDerWaalsContact C-CD1 3.49Å; G111-Y312 VanDerWaalsContact C-CE1 3.49Å; G111-Y312 WeakPolarHBondContact O-CD1 3.32Å; G111-Y312 PolarHBondContact O-N 3.46Å
112	P	92.4	Very high	89	Confident	54 Å²	54	37.8 Å²	37.8	35%	0.351	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	139.7	172.5	27.7	-34	0	0	0	111.3	Y312	P112-Y312 HydrophobicContact CB-CE1 4.35Å; P112-Y312 HydrophobicContact CB-CE2 4.14Å
113	S	94.3	Very high	89.4	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	117.1	164.7	174.7	0	0	0	0	108.9	S94 D95 F115 G116 Y310 Y312	S94-S113 VanDerWaalsContact CA-O 3.31Å; S94-S113 WeakPolarHBondContact CA-O 3.22Å; D95-S113 WeakPolarHBondContact CA-OG 3.12Å; D95-S113 WeakPolarHBondContact CB-OG 3.25Å; D95-S113 PolarHBondContact N-OG 2.96Å; D95-S113 PolarHBondContact O-OG 3.44Å; S113-F115 PolarHBondContact O-N 3.4Å; S113-G116 WeakPolarHBondContact O-CA 3.38Å; S113-G116 PolarHBondContact O-N 3.03Å; S113-Y310 WeakPolarHBondContact CA-O 3.37Å; S113-Y312 WeakPolarHBondContact CB-O 3.41Å; S113-Y312 PolarHBondContact N-O 2.94Å
114	G	93.8	Very high	89.6	Confident	26 Å²	26	38.6 Å²	38.6	27%	0.268	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	59.6	-123.8	-171.7	0	0	0	0	0	111.4	H103 G116	H103-G114 WeakPolarHBondContact ND1-CA 3.29Å; G114-G116 PolarHBondContact O-N 2.93Å
115	F	93.9	Very high	90.2	Very high	31 Å²	31	40.7 Å²	40.7	14%	0.136	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	-7	170.8	-71.8	-73.6	0	0	0	114.1	L93 H103 S113 F117 V147 F148	L93-F115 HydrophobicContact CD2-CD2 3.88Å; L93-F115 HydrophobicContact CD2-CE2 4.42Å; L93-F115 WeakPolarHBondContact O-CD2 3.28Å; L93-F115 PolarHBondContact O-N 2.97Å; H103-F115 AromaticContact CE1-CD2 3.82Å; S113-F115 PolarHBondContact O-N 3.4Å; F115-F117 HydrophobicContact CB-CD1 4.09Å; F115-F117 HydrophobicContact CB-CE1 3.72Å; F115-F117 HydrophobicContact CB-CZ 4.28Å; F115-F117 WeakPolarHBondContact O-CD1 3.41Å; F115-V147 HydrophobicContact CD1-CG1 3.72Å; F115-V147 HydrophobicContact CD2-CG1 3.78Å; F115-V147 HydrophobicContact CE1-CG1 3.72Å; F115-V147 HydrophobicContact CE2-CG1 3.78Å; F115-V147 HydrophobicContact CG-CG1 3.77Å; F115-V147 HydrophobicContact CZ-CG1 3.75Å; F115-F148 HydrophobicContact CD2-CE2 4.3Å; F115-F148 HydrophobicContact CD2-CZ 4.35Å; F115-F148 AromaticContact CE2-CD1 3.87Å; F115-F148 HydrophobicContact CE2-CD1 3.87Å; F115-F148 AromaticContact CE2-CD2 3.85Å; F115-F148 HydrophobicContact CE2-CD2 3.85Å; F115-F148 AromaticContact CE2-CE1 3.78Å; F115-F148 HydrophobicContact CE2-CE1 3.78Å; F115-F148 AromaticContact CE2-CE2 3.78Å; F115-F148 HydrophobicContact CE2-CE2 3.78Å; F115-F148 AromaticContact CE2-CG 3.92Å; F115-F148 HydrophobicContact CE2-CG 3.92Å; F115-F148 AromaticContact CE2-CZ 3.75Å; F115-F148 HydrophobicContact CE2-CZ 3.75Å; F115-F148 HydrophobicContact CZ-CD1 4.27Å; F115-F148 HydrophobicContact CZ-CG 4.34Å
116	G	94.5	Very high	91	Very high	4 Å²	4	40.1 Å²	40.1	4%	0.041	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	87.4	-1.3	178.5	0	0	0	0	0	115	S113 G114 V313 Q314	S113-G116 WeakPolarHBondContact O-CA 3.38Å; S113-G116 PolarHBondContact O-N 3.03Å; G114-G116 PolarHBondContact O-N 2.93Å; G116-V313 CarbonylContact O-C 3.58Å; G116-V313 WeakPolarHBondContact O-CA 3.34Å; G116-Q314 PolarHBondContact O-N 2.64Å
117	F	96.8	Very high	91.9	Very high	7 Å²	7	43.8 Å²	43.8	3%	0.031	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	162.4	179.3	66	-87.7	0	0	0	112.9	L93 F115 L119 V147 L154 Q314 L316	L93-F117 WeakPolarHBondContact CB-O 3.35Å; L93-F117 HydrophobicContact CD1-CD2 4.35Å; L93-F117 HydrophobicContact CD1-CE2 3.93Å; F115-F117 HydrophobicContact CB-CD1 4.09Å; F115-F117 HydrophobicContact CB-CE1 3.72Å; F115-F117 HydrophobicContact CB-CZ 4.28Å; F115-F117 WeakPolarHBondContact O-CD1 3.41Å; F117-L119 HydrophobicContact CD2-CD2 4.41Å; F117-L119 HydrophobicContact CE2-CD2 4.14Å; F117-L119 HydrophobicContact CE2-CG 4.31Å; F117-V147 HydrophobicContact CZ-CG1 4.26Å; F117-V147 HydrophobicContact CZ-CG2 4.29Å; F117-L154 HydrophobicContact CE1-CB 4.13Å; F117-L154 HydrophobicContact CE2-CB 4.22Å; F117-L154 HydrophobicContact CE2-CD1 4.08Å; F117-L154 HydrophobicContact CZ-CB 3.74Å; F117-L154 HydrophobicContact CZ-CD1 3.92Å; F117-L154 HydrophobicContact CZ-CG 3.97Å; F117-Q314 CarbonylContact C-O 3.56Å; F117-Q314 WeakPolarHBondContact CA-O 3.3Å; F117-Q314 HydrophobicContact CB-CB 4.34Å; F117-Q314 WeakPolarHBondContact CB-O 3.4Å; F117-L316 HydrophobicContact CB-CD1 4.11Å; F117-L316 HydrophobicContact CB-CG 4.19Å; F117-L316 HydrophobicContact CD1-CD1 4.33Å; F117-L316 HydrophobicContact CD2-CD1 3.88Å; F117-L316 HydrophobicContact CD2-CG 4.41Å; F117-L316 HydrophobicContact CE2-CD1 4.4Å; F117-L316 HydrophobicContact CG-CD1 3.85Å; F117-L316 HydrophobicContact CG-CG 4.4Å
118	E	98.3	Very high	93	Very high	0 Å²	0	40 Å²	40	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	155.7	158.3	-70.9	-67.1	166.2	0	0	109.2	I35 T90 N91 G92 L93 S94 V313 Q314 F315 L316	I35-E118 HydrophobicContact CD1-CG 4.07Å; T90-E118 WeakPolarHBondContact CB-OE2 3.41Å; T90-E118 WeakPolarHBondContact O-CG 3.5Å; T90-E118 PolarHBondContact OG1-OE2 3.08Å; N91-E118 WeakPolarHBondContact CA-OE1 3.37Å; N91-E118 WeakPolarHBondContact CA-OE2 3.33Å; N91-E118 PolarHBondContact N-OE2 3.02Å; G92-E118 PolarHBondContact N-OE1 3.18Å; G92-E118 PolarHBondContact N-OE2 2.94Å; L93-E118 PolarHBondContact N-OE1 3.12Å; L93-E118 PolarHBondContact N-OE2 2.89Å; S94-E118 WeakPolarHBondContact CB-OE1 3.23Å; S94-E118 PolarHBondContact N-OE1 3.24Å; S94-E118 PolarHBondContact OG-OE1 3.41Å; E118-V313 HydrophobicContact CB-CG1 4.37Å; E118-V313 HydrophobicContact CG-CG1 3.97Å; E118-Q314 PolarHBondContact N-O 3.03Å; E118-F315 HydrophobicContact CB-CD1 4.12Å; E118-F315 HydrophobicContact CB-CE1 4.2Å; E118-F315 WeakPolarHBondContact O-CA 3.18Å; E118-L316 PolarHBondContact O-N 3.03Å
119	L	98.3	Very high	93.7	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	143.9	174.5	-67.1	171.6	0	0	0	110.4	T90 L93 F117 L140 L143 L297 L316	T90-L119 HydrophobicContact CG2-CB 3.96Å; T90-L119 WeakPolarHBondContact CG2-O 3.49Å; T90-L119 PolarHBondContact N-O 3.45Å; T90-L119 PolarHBondContact OG1-N 2.92Å; T90-L119 PolarHBondContact OG1-O 2.65Å; L93-L119 HydrophobicContact CD1-CB 4.43Å; L93-L119 HydrophobicContact CD1-CD1 3.92Å; L93-L119 HydrophobicContact CD1-CG 3.74Å; F117-L119 HydrophobicContact CD2-CD2 4.41Å; F117-L119 HydrophobicContact CE2-CD2 4.14Å; F117-L119 HydrophobicContact CE2-CG 4.31Å; L119-L140 HydrophobicContact CB-CD2 3.82Å; L119-L140 HydrophobicContact CD1-CD2 4.17Å; L119-L143 HydrophobicContact CD1-CB 3.98Å; L119-L143 HydrophobicContact CD1-CD1 4.39Å; L119-L297 HydrophobicContact CD2-CD2 3.89Å; L119-L316 CarbonylContact C-O 3.59Å; L119-L316 WeakPolarHBondContact CA-O 3.33Å; L119-L316 HydrophobicContact CD2-CB 4.38Å
120	T	98.6	Very high	94.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	164.3	165.5	76.1	0	0	0	0	110.8	H87 Y88 V89 D300 L303 F315 L316 Q317 L318	H87-T120 WeakPolarHBondContact NE2-CB 3.14Å; H87-T120 PolarHBondContact NE2-OG1 3.48Å; H87-T120 VanDerWaalsContact NE2-OG1 3.11Å; Y88-T120 CarbonylContact O-C 3.4Å; Y88-T120 WeakPolarHBondContact O-CA 3.27Å; Y88-T120 VanDerWaalsContact O-CB 3.29Å; Y88-T120 WeakPolarHBondContact O-CB 3.47Å; V89-T120 HydrophobicContact CG1-CG2 4.35Å; V89-T120 HydrophobicContact CG2-CG2 4.23Å; T120-D300 VanDerWaalsContact CB-OD2 3.29Å; T120-D300 WeakPolarHBondContact CB-OD2 3.4Å; T120-D300 HydrophobicContact CG2-CB 4.43Å; T120-D300 WeakPolarHBondContact CG2-OD2 3.32Å; T120-D300 PolarHBondContact OG1-OD2 3.36Å; T120-L303 HydrophobicContact CG2-CD1 4.21Å; T120-F315 HydrophobicContact CG2-CB 3.95Å; T120-F315 HydrophobicContact CG2-CD1 3.94Å; T120-F315 HydrophobicContact CG2-CG 4.38Å; T120-L316 PolarHBondContact N-O 3.38Å; T120-Q317 WeakPolarHBondContact O-CA 3.48Å; T120-Q317 VanDerWaalsContact OG1-CA 3.25Å; T120-Q317 WeakPolarHBondContact OG1-CA 3.38Å; T120-Q317 VanDerWaalsContact OG1-CB 3.3Å; T120-Q317 WeakPolarHBondContact OG1-CB 3.42Å; T120-L318 PolarHBondContact O-N 3.3Å
121	F	98.6	Very high	94.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	144.3	176.7	-172.5	-143.7	0	0	0	110	H87 Y88 V123 W135 P136 L139 L318 T354	H87-F121 WeakPolarHBondContact CA-O 3.49Å; Y88-F121 HydrophobicContact CD2-CB 4.35Å; Y88-F121 HydrophobicContact CD2-CD1 4.34Å; Y88-F121 PolarHBondContact N-O 2.88Å; Y88-F121 PolarHBondContact O-N 3.39Å; F121-V123 HydrophobicContact CD1-CG2 3.46Å; F121-V123 VanDerWaalsContact CD1-CG2 3.46Å; F121-V123 HydrophobicContact CE1-CG2 3.22Å; F121-V123 HydrophobicContact CE2-CG2 4.47Å; F121-V123 HydrophobicContact CG-CG2 4.22Å; F121-V123 HydrophobicContact CZ-CG2 3.79Å; F121-W135 AromaticContact CE1-CH2 3.68Å; F121-W135 HydrophobicContact CE1-CH2 3.68Å; F121-W135 AromaticContact CE1-CZ3 3.95Å; F121-W135 HydrophobicContact CE1-CZ3 3.95Å; F121-W135 HydrophobicContact CZ-CH2 4.05Å; F121-P136 HydrophobicContact CD1-CB 3.78Å; F121-P136 HydrophobicContact CD1-CG 4.37Å; F121-P136 HydrophobicContact CE1-CB 3.98Å; F121-P136 HydrophobicContact CE1-CG 4.27Å; F121-L139 HydrophobicContact CE1-CD2 4.37Å; F121-L318 HydrophobicContact CB-CB 4.46Å; F121-L318 HydrophobicContact CD2-CB 3.64Å; F121-L318 WeakPolarHBondContact CD2-O 3.32Å; F121-L318 HydrophobicContact CE2-CB 4.18Å; F121-L318 HydrophobicContact CG-CB 4.31Å; F121-T354 HydrophobicContact CE2-CG2 4.11Å; F121-T354 WeakPolarHBondContact CE2-OG1 3.39Å; F121-T354 HydrophobicContact CZ-CG2 4.14Å
122	R	98.5	Very high	95.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	112.7	178.8	-67.2	179	-169.1	-101.8	3.5	109.3	N74 H85 W86 H87 D300 Q302 L351 V353 T354	N74-R122 PolarHBondContact ND2-NH1 3.27Å; H85-R122 WeakPolarHBondContact NE2-CD 3.3Å; H85-R122 PolarHBondContact NE2-NH1 3.39Å; W86-R122 WeakPolarHBondContact O-CA 3.23Å; H87-R122 PolarHBondContact NE2-NH2 2.84Å; R122-D300 IonicContact CZ-OD1 3.96Å; R122-D300 IonicContact NE-OD2 3.85Å; R122-D300 IonicContact NH2-OD1 1.82Å; R122-D300 PolarHBondContact NH2-OD1 3.17Å; R122-D300 IonicContact NH2-OD2 2.75Å; R122-D300 PolarHBondContact NH2-OD2 2.99Å; R122-Q302 VanDerWaalsContact NH2-OE1 3.07Å; R122-L351 VanDerWaalsContact CD-O 3.3Å; R122-L351 WeakPolarHBondContact CD-O 3.44Å; R122-V353 HydrophobicContact CB-CG1 4.47Å; R122-V353 HydrophobicContact CB-CG2 4.31Å; R122-T354 WeakPolarHBondContact O-CB 3.22Å; R122-T354 PolarHBondContact O-N 3.49Å
123	V	97.9	Very high	95.3	Very high	7 Å²	7	38 Å²	38	4%	0.042	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122.7	-179.2	-177.1	0	0	0	0	109.2	H85 W86 Y88 F121 R125 W135 P136	H85-V123 CarbonylContact C-O 3.54Å; H85-V123 VanDerWaalsContact CA-O 3.29Å; H85-V123 WeakPolarHBondContact CA-O 3.27Å; H85-V123 VanDerWaalsContact CB-O 3.24Å; H85-V123 WeakPolarHBondContact CB-O 3.46Å; W86-V123 PolarHBondContact N-O 2.74Å; W86-V123 PolarHBondContact O-N 2.86Å; Y88-V123 HydrophobicContact CD2-CG2 4.3Å; Y88-V123 HydrophobicContact CE2-CB 4.11Å; Y88-V123 HydrophobicContact CE2-CG2 3.75Å; F121-V123 HydrophobicContact CD1-CG2 3.46Å; F121-V123 VanDerWaalsContact CD1-CG2 3.46Å; F121-V123 HydrophobicContact CE1-CG2 3.22Å; F121-V123 HydrophobicContact CE2-CG2 4.47Å; F121-V123 HydrophobicContact CG-CG2 4.22Å; F121-V123 HydrophobicContact CZ-CG2 3.79Å; V123-R125 PolarHBondContact O-N 3.17Å; V123-W135 HydrophobicContact CG1-CZ2 4.06Å; V123-W135 HydrophobicContact CG2-CH2 4.33Å; V123-W135 HydrophobicContact CG2-CZ2 4.25Å; V123-P136 HydrophobicContact CG2-CG 4.14Å
124	K	97.4	Very high	95.3	Very high	76 Å²	76	41.6 Å²	41.6	33%	0.33	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	130.4	177.6	-172	-179.9	-179.4	173.2	0	110.3	P83 V353 T354 D355	P83-K124 HydrophobicContact CB-CG 4.26Å; P83-K124 HydrophobicContact CG-CD 4.41Å; P83-K124 HydrophobicContact CG-CG 4.18Å; K124-V353 HydrophobicContact CB-CG1 3.86Å; K124-T354 PolarHBondContact N-O 3.27Å; K124-D355 HydrophobicContact CB-CB 4.2Å; K124-D355 HydrophobicContact CD-CB 3.68Å; K124-D355 WeakPolarHBondContact CD-OD2 3.45Å; K124-D355 WeakPolarHBondContact CE-OD2 3.46Å; K124-D355 IonicContact NZ-OD2 2.65Å; K124-D355 PolarHBondContact NZ-OD2 3.25Å
125	R	96.4	Very high	95.4	Very high	105 Å²	105	42.9 Å²	42.9	40%	0.396	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-76.5	130.1	-176.8	177.4	173.1	-178.5	-178.5	5	110.5	P84 W86 V123 E129	P84-R125 PolarHBondContact O-N 3.32Å; W86-R125 HydrophobicContact CZ2-CG 3.86Å; V123-R125 PolarHBondContact O-N 3.17Å; R125-E129 HydrophobicContact CG-CB 4.32Å; R125-E129 VanDerWaalsContact CZ-O 3.26Å; R125-E129 PolarHBondContact NE-O 2.91Å; R125-E129 PolarHBondContact NH2-O 3.16Å
126	E	92.8	Very high	95.6	Very high	81 Å²	81	41.4 Å²	41.4	38%	0.379	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-80.6	154.2	-179.6	-65.9	-165.7	-176.9	0	0	112.8	G128 E129 R357	E126-G128 PolarHBondContact O-N 3.04Å; E126-E129 HydrophobicContact CB-CB 4.26Å; E126-E129 PolarHBondContact N-OE2 3.25Å; E126-E129 WeakPolarHBondContact O-CB 3.14Å; E126-E129 PolarHBondContact O-N 3.41Å; E126-R357 IonicContact OE1-CZ 2.83Å; E126-R357 IonicContact OE1-NE 3.47Å; E126-R357 PolarHBondContact OE1-NE 3.43Å; E126-R357 IonicContact OE1-NH2 2.7Å; E126-R357 PolarHBondContact OE1-NH2 3.1Å; E126-R357 IonicContact OE2-CZ 2.82Å; E126-R357 IonicContact OE2-NE 3.66Å; E126-R357 IonicContact OE2-NH2 3.34Å; E126-R357 PolarHBondContact OE2-NH2 3.44Å
127	A	89.8	Confident	95.6	Very high	113 Å²	113	41.5 Å²	41.5	93%	0.934	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	116.9	-178	0	0	0	0	0	111.1
128	G	90.2	Very high	95.5	Very high	83 Å²	83	45.6 Å²	45.6	86%	0.856	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.9	-2.2	-175	0	0	0	0	0	114.7	E126 A130	E126-G128 PolarHBondContact O-N 3.04Å; G128-A130 PolarHBondContact O-N 3.27Å
129	E	92.5	Very high	95.4	Very high	44 Å²	44	46 Å²	46	21%	0.206	27%	0.274	C	S	.	.			trans	-73.2	113.9	178.7	-168.8	172.6	-136.1	0	0	111.2	W86 R125 E126 N131 P133	W86-E129 HydrophobicContact CZ2-CG 4.09Å; W86-E129 PolarHBondContact NE1-OE2 3.07Å; R125-E129 HydrophobicContact CG-CB 4.32Å; R125-E129 VanDerWaalsContact CZ-O 3.26Å; R125-E129 PolarHBondContact NE-O 2.91Å; R125-E129 PolarHBondContact NH2-O 3.16Å; E126-E129 HydrophobicContact CB-CB 4.26Å; E126-E129 PolarHBondContact N-OE2 3.25Å; E126-E129 WeakPolarHBondContact O-CB 3.14Å; E126-E129 PolarHBondContact O-N 3.41Å; E129-N131 WeakPolarHBondContact CG-O 3.42Å; E129-P133 WeakPolarHBondContact OE1-CD 3.38Å; E129-P133 WeakPolarHBondContact OE1-CG 3.47Å
130	A	92.3	Very high	95.3	Very high	72 Å²	72	46 Å²	46	60%	0.595	27%	0.274	S	S	*	.			trans	-90.8	-25.4	-173.8	0	0	0	0	0	114.4	G128	G128-A130 PolarHBondContact O-N 3.27Å
131	N	94.4	Very high	95.2	Very high	115 Å²	115	46.6 Å²	46.6	62%	0.615	28%	0.277	S	S	*	.	S	Bend	trans	-134.8	150.8	-177.3	-63	-81	0	0	0	109.1	W86 E129	W86-N131 VanDerWaalsContact CZ2-C 3.45Å; E129-N131 WeakPolarHBondContact CG-O 3.42Å
132	P	96.5	Very high	95	Very high	11 Å²	11	47.5 Å²	47.5	7%	0.071	28%	0.283	C	S	.	.			trans	-63.6	138.3	179.6	21.8	-28.5	0	0	0	111.7	L50 M71 W86	L50-P132 HydrophobicContact CB-CG 4.21Å; L50-P132 HydrophobicContact CD2-CG 3.93Å; M71-P132 HydrophobicContact CB-CB 3.9Å; M71-P132 HydrophobicContact CB-CG 3.52Å; M71-P132 HydrophobicContact CG-CG 4.39Å; M71-P132 HydrophobicContact SD-CB 4.23Å; M71-P132 HydrophobicContact SD-CG 4.09Å; W86-P132 HydrophobicContact CB-CB 4.06Å; W86-P132 HydrophobicContact CD2-CB 3.57Å; W86-P132 HydrophobicContact CD2-CG 4.45Å; W86-P132 HydrophobicContact CE3-CB 3.6Å; W86-P132 HydrophobicContact CE3-CG 4Å; W86-P132 HydrophobicContact CG-CB 3.78Å; W86-P132 HydrophobicContact CZ3-CB 4.21Å; W86-P132 HydrophobicContact CZ3-CG 4.22Å
133	P	95.8	Very high	94.8	Very high	23 Å²	23	47.6 Å²	47.6	15%	0.149	28%	0.284	C	S	.	.			trans	-68.7	146.9	177.2	26.3	-31.6	0	0	0	110.8	W86 Y88 E129 P136	W86-P133 VanDerWaalsContact CD1-CD 3.48Å; Y88-P133 WeakPolarHBondContact CE1-O 3.47Å; Y88-P133 WeakPolarHBondContact OH-CD 3.5Å; Y88-P133 WeakPolarHBondContact OH-CG 3.16Å; Y88-P133 PolarHBondContact OH-O 3.17Å; E129-P133 WeakPolarHBondContact OE1-CD 3.38Å; E129-P133 WeakPolarHBondContact OE1-CG 3.47Å; P133-P136 VanDerWaalsContact O-CD 3.24Å; P133-P136 WeakPolarHBondContact O-CD 3.24Å
134	T	94.8	Very high	94.7	Very high	74 Å²	74	47.3 Å²	47.3	45%	0.454	28%	0.282	S	S	.	.	S	Bend	trans	-98.8	-0.1	-174	55.9	0	0	0	0	114.2	V52 P136 A137 H138	V52-T134 HydrophobicContact CG2-CG2 4.38Å; T134-P136 VanDerWaalsContact C-CD 3.44Å; T134-A137 WeakPolarHBondContact O-CB 3.44Å; T134-A137 PolarHBondContact O-N 2.84Å; T134-H138 PolarHBondContact O-ND1 2.89Å
135	W	95.2	Very high	94.6	Very high	54 Å²	54	48 Å²	48	21%	0.205	28%	0.282	C	S	.	.	H	α-helix	trans	-60.5	-37.5	172.6	69.7	-104	0	0	0	113.3	F121 V123 A137 H138 L139 L166 D167 M356	F121-W135 AromaticContact CE1-CH2 3.68Å; F121-W135 HydrophobicContact CE1-CH2 3.68Å; F121-W135 AromaticContact CE1-CZ3 3.95Å; F121-W135 HydrophobicContact CE1-CZ3 3.95Å; F121-W135 HydrophobicContact CZ-CH2 4.05Å; V123-W135 HydrophobicContact CG1-CZ2 4.06Å; V123-W135 HydrophobicContact CG2-CH2 4.33Å; V123-W135 HydrophobicContact CG2-CZ2 4.25Å; W135-A137 PolarHBondContact O-N 3.47Å; W135-H138 WeakPolarHBondContact O-CB 3.43Å; W135-H138 PolarHBondContact O-N 2.94Å; W135-L139 HydrophobicContact CZ3-CD2 4.22Å; W135-L139 PolarHBondContact O-N 2.74Å; W135-L166 HydrophobicContact CH2-CB 4.37Å; W135-L166 HydrophobicContact CZ3-CB 4.07Å; W135-L166 WeakPolarHBondContact CZ3-O 3.37Å; W135-D167 HydrophobicContact CD2-CB 4.21Å; W135-D167 HydrophobicContact CZ2-CB 4.32Å; W135-M356 HydrophobicContact CH2-CG 3.95Å; W135-M356 HydrophobicContact CH2-SD 3.91Å; W135-M356 HydrophobicContact CZ2-CG 3.7Å; W135-M356 HydrophobicContact CZ2-SD 4.29Å
136	P	97.1	Very high	94.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-67.2	-24.7	-177.5	-21.2	35.3	0	0	0	113.5	Y88 F121 V123 P133 T134 H138 L139 L140	Y88-P136 HydrophobicContact CD1-CB 4.18Å; Y88-P136 HydrophobicContact CD2-CB 4.44Å; Y88-P136 HydrophobicContact CE1-CB 3.99Å; Y88-P136 HydrophobicContact CE1-CG 3.93Å; Y88-P136 HydrophobicContact CE2-CB 4.28Å; Y88-P136 HydrophobicContact CE2-CG 3.98Å; Y88-P136 HydrophobicContact CG-CB 4.42Å; F121-P136 HydrophobicContact CD1-CB 3.78Å; F121-P136 HydrophobicContact CD1-CG 4.37Å; F121-P136 HydrophobicContact CE1-CB 3.98Å; F121-P136 HydrophobicContact CE1-CG 4.27Å; V123-P136 HydrophobicContact CG2-CG 4.14Å; P133-P136 VanDerWaalsContact O-CD 3.24Å; P133-P136 WeakPolarHBondContact O-CD 3.24Å; T134-P136 VanDerWaalsContact C-CD 3.44Å; P136-H138 PolarHBondContact O-N 2.71Å; P136-L139 WeakPolarHBondContact O-CB 3.36Å; P136-L139 PolarHBondContact O-N 2.95Å; P136-L140 WeakPolarHBondContact O-CB 3.49Å; P136-L140 VanDerWaalsContact O-CG 3.29Å; P136-L140 WeakPolarHBondContact O-CG 3.49Å; P136-L140 PolarHBondContact O-N 3.39Å
137	A	96.2	Very high	94.3	Very high	5 Å²	5	43.7 Å²	43.7	4%	0.041	26%	0.263	C	S	.	.	H	α-helix	trans	-58.7	-36.2	171.8	0	0	0	0	0	111.8	V52 I69 M71 T134 W135 Q141	V52-A137 HydrophobicContact CB-CB 4.46Å; V52-A137 HydrophobicContact CG1-CB 4.19Å; I69-A137 HydrophobicContact CD1-CB 3.88Å; M71-A137 HydrophobicContact CE-CB 4Å; T134-A137 WeakPolarHBondContact O-CB 3.44Å; T134-A137 PolarHBondContact O-N 2.84Å; W135-A137 PolarHBondContact O-N 3.47Å; A137-Q141 WeakPolarHBondContact O-CB 3.39Å; A137-Q141 WeakPolarHBondContact O-CG 3.31Å; A137-Q141 PolarHBondContact O-N 2.96Å
138	H	94.1	Very high	94.4	Very high	93 Å²	93	39.5 Å²	39.5	43%	0.431	22%	0.224	S	C	.	.	H	α-helix	trans	-73.4	-33.9	177.7	-62.6	86.5	0	0	0	112.3	T134 W135 P136 S142 Q169	T134-H138 PolarHBondContact O-ND1 2.89Å; W135-H138 WeakPolarHBondContact O-CB 3.43Å; W135-H138 PolarHBondContact O-N 2.94Å; P136-H138 PolarHBondContact O-N 2.71Å; H138-S142 WeakPolarHBondContact O-CB 3.4Å; H138-S142 PolarHBondContact O-N 3.36Å; H138-S142 VanDerWaalsContact O-N 3.13Å; H138-S142 PolarHBondContact O-OG 3.03Å; H138-Q169 PolarHBondContact CD2-NE2 2.76Å; H138-Q169 PolarHBondContact NE2-NE2 2.76Å
139	L	95.5	Very high	94.3	Very high	9 Å²	9	43.6 Å²	43.6	5%	0.047	22%	0.215	C	C	.	.	H	α-helix	trans	-64.5	-52.5	172.2	-179.8	63.6	0	0	0	110.4	F121 W135 P136 Q141 S142 L143 W162 L166 M295	F121-L139 HydrophobicContact CE1-CD2 4.37Å; W135-L139 HydrophobicContact CZ3-CD2 4.22Å; W135-L139 PolarHBondContact O-N 2.74Å; P136-L139 WeakPolarHBondContact O-CB 3.36Å; P136-L139 PolarHBondContact O-N 2.95Å; L139-Q141 PolarHBondContact O-N 3.25Å; L139-S142 WeakPolarHBondContact O-CA 3.32Å; L139-S142 WeakPolarHBondContact O-CB 3.05Å; L139-S142 PolarHBondContact O-N 3.41Å; L139-L143 HydrophobicContact CG-CD1 4.44Å; L139-L143 PolarHBondContact O-N 2.86Å; L139-W162 HydrophobicContact CD1-CD2 4.46Å; L139-W162 HydrophobicContact CD1-CH2 4.18Å; L139-W162 HydrophobicContact CD1-CZ2 3.67Å; L139-L166 HydrophobicContact CD1-CD2 4.43Å; L139-L166 HydrophobicContact CD2-CB 4.15Å; L139-L166 HydrophobicContact CD2-CD1 4.44Å; L139-L166 HydrophobicContact CD2-CD2 4.41Å; L139-M295 HydrophobicContact CD1-CE 4.07Å; L139-M295 HydrophobicContact CD1-SD 3.98Å; L139-M295 HydrophobicContact CD2-SD 3.89Å; L139-M295 HydrophobicContact CG-SD 4.19Å
140	L	97.4	Very high	93.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-59.1	-44.2	179.2	-69.1	165.6	0	0	0	112.3	L66 I69 T90 L119 P136 S142 L143 A144 L318	L66-L140 HydrophobicContact CD1-CB 3.9Å; I69-L140 HydrophobicContact CD1-CB 4.07Å; I69-L140 HydrophobicContact CD1-CD1 4.39Å; I69-L140 HydrophobicContact CG2-CD1 4Å; T90-L140 HydrophobicContact CG2-CB 4.04Å; T90-L140 HydrophobicContact CG2-CD1 3.93Å; T90-L140 HydrophobicContact CG2-CD2 3.88Å; T90-L140 HydrophobicContact CG2-CG 4.17Å; L119-L140 HydrophobicContact CB-CD2 3.82Å; L119-L140 HydrophobicContact CD1-CD2 4.17Å; P136-L140 WeakPolarHBondContact O-CB 3.49Å; P136-L140 VanDerWaalsContact O-CG 3.29Å; P136-L140 WeakPolarHBondContact O-CG 3.49Å; P136-L140 PolarHBondContact O-N 3.39Å; L140-S142 PolarHBondContact O-N 3.11Å; L140-L143 PolarHBondContact O-N 2.63Å; L140-A144 WeakPolarHBondContact O-CB 3.44Å; L140-A144 PolarHBondContact O-N 3.07Å; L140-L318 HydrophobicContact CD2-CD1 3.65Å
141	Q	96.4	Very high	93.6	Very high	14 Å²	14	46.1 Å²	46.1	7%	0.065	22%	0.219	C	C	.	.	H	α-helix	trans	-63.4	-29.5	172.8	-68.7	-70.9	11.2	0	0	112.7	D64 L66 I69 A137 L139 R145	D64-Q141 HydrophobicContact CB-CG 4.42Å; L66-Q141 PolarHBondContact O-NE2 3.12Å; I69-Q141 HydrophobicContact CD1-CG 4.28Å; A137-Q141 WeakPolarHBondContact O-CB 3.39Å; A137-Q141 WeakPolarHBondContact O-CG 3.31Å; A137-Q141 PolarHBondContact O-N 2.96Å; L139-Q141 PolarHBondContact O-N 3.25Å; Q141-R145 WeakPolarHBondContact O-CB 3.46Å; Q141-R145 VanDerWaalsContact O-CG 3.25Å; Q141-R145 WeakPolarHBondContact O-CG 3.36Å; Q141-R145 PolarHBondContact O-N 3.27Å; Q141-R145 PolarHBondContact O-NE 3.29Å
142	S	94.3	Very high	92.7	Very high	18 Å²	18	41.2 Å²	41.2	13%	0.126	20%	0.195	C	C	.	.	H	α-helix	trans	-76.1	-38.8	178.3	-57.8	0	0	0	0	112.3	H138 L139 L140 R145 Y146	H138-S142 WeakPolarHBondContact O-CB 3.4Å; H138-S142 PolarHBondContact O-N 3.36Å; H138-S142 VanDerWaalsContact O-N 3.13Å; H138-S142 PolarHBondContact O-OG 3.03Å; L139-S142 WeakPolarHBondContact O-CA 3.32Å; L139-S142 WeakPolarHBondContact O-CB 3.05Å; L139-S142 PolarHBondContact O-N 3.41Å; L140-S142 PolarHBondContact O-N 3.11Å; S142-R145 PolarHBondContact O-N 3.13Å; S142-R145 PolarHBondContact OG-NH2 3.3Å; S142-Y146 PolarHBondContact O-N 2.59Å; S142-Y146 VanDerWaalsContact O-N 3.07Å
143	L	94.1	Very high	92.1	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.016	23%	0.227	C	C	.	.	H	α-helix	trans	-66.8	-42.5	171.5	-65.3	177.9	0	0	0	111.7	L119 L139 L140 R145 Y146 V147 I160 W162 M295 L318	L119-L143 HydrophobicContact CD1-CB 3.98Å; L119-L143 HydrophobicContact CD1-CD1 4.39Å; L139-L143 HydrophobicContact CG-CD1 4.44Å; L139-L143 PolarHBondContact O-N 2.86Å; L140-L143 PolarHBondContact O-N 2.63Å; L143-R145 VanDerWaalsContact C-N 3.33Å; L143-R145 PolarHBondContact O-N 3.43Å; L143-Y146 WeakPolarHBondContact O-CB 3.5Å; L143-Y146 PolarHBondContact O-N 3.19Å; L143-Y146 VanDerWaalsContact O-N 3.11Å; L143-V147 PolarHBondContact O-N 3.42Å; L143-I160 HydrophobicContact CD1-CD1 4.45Å; L143-I160 HydrophobicContact CD2-CD1 3.88Å; L143-I160 HydrophobicContact CD2-CG2 4.16Å; L143-W162 HydrophobicContact CD2-CE3 4.33Å; L143-W162 HydrophobicContact CD2-CZ3 3.95Å; L143-M295 HydrophobicContact CD1-CE 4.41Å; L143-M295 HydrophobicContact CD1-SD 3.9Å; L143-M295 HydrophobicContact CD2-CE 4.15Å; L143-L318 HydrophobicContact CD1-CD1 3.49Å; L143-L318 VanDerWaalsContact CD1-CD1 3.49Å; L143-L318 HydrophobicContact CD1-CD2 3.82Å; L143-L318 HydrophobicContact CD1-CG 4.31Å
144	A	95.8	Very high	91.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.1	-42.3	174.1	0	0	0	0	0	111.7	P65 L66 L93 L140 Y146 V147 F148	P65-A144 HydrophobicContact CB-CB 4.13Å; P65-A144 HydrophobicContact CG-CB 4.13Å; L66-A144 HydrophobicContact CD1-CB 3.94Å; L66-A144 HydrophobicContact CD2-CB 3.67Å; L66-A144 HydrophobicContact CG-CB 3.58Å; L93-A144 HydrophobicContact CD2-CB 4.34Å; L140-A144 WeakPolarHBondContact O-CB 3.44Å; L140-A144 PolarHBondContact O-N 3.07Å; A144-Y146 VanDerWaalsContact C-N 3.33Å; A144-Y146 PolarHBondContact O-N 3.05Å; A144-V147 PolarHBondContact O-N 3.33Å; A144-F148 WeakPolarHBondContact O-CD2 3.45Å; A144-F148 PolarHBondContact O-N 2.87Å
145	R	94.9	Very high	91.4	Very high	91 Å²	91	49.2 Å²	49.2	34%	0.343	23%	0.226	S	C	.	.	H	α-helix	trans	-60	-41.4	172.9	-75.7	179.4	-60.3	140.2	-1.7	112.1	P63 P65 Q141 S142 L143 F148 Y149	P63-R145 VanDerWaalsContact O-CD 3.27Å; P63-R145 WeakPolarHBondContact O-CD 3.27Å; P65-R145 HydrophobicContact CG-CB 4.47Å; P65-R145 HydrophobicContact CG-CG 3.7Å; Q141-R145 WeakPolarHBondContact O-CB 3.46Å; Q141-R145 VanDerWaalsContact O-CG 3.25Å; Q141-R145 WeakPolarHBondContact O-CG 3.36Å; Q141-R145 PolarHBondContact O-N 3.27Å; Q141-R145 PolarHBondContact O-NE 3.29Å; S142-R145 PolarHBondContact O-N 3.13Å; S142-R145 PolarHBondContact OG-NH2 3.3Å; L143-R145 VanDerWaalsContact C-N 3.33Å; L143-R145 PolarHBondContact O-N 3.43Å; R145-F148 PolarHBondContact O-N 2.79Å; R145-Y149 HydrophobicContact CB-CD2 4.23Å; R145-Y149 HydrophobicContact CB-CE2 4.01Å; R145-Y149 HydrophobicContact CG-CE2 4.44Å; R145-Y149 WeakPolarHBondContact O-CB 3.48Å; R145-Y149 WeakPolarHBondContact O-CD2 3.23Å; R145-Y149 PolarHBondContact O-N 3.49Å
146	Y	90.4	Very high	91.3	Very high	95 Å²	95	48.2 Å²	48.2	37%	0.373	23%	0.229	S	C	.	.	H	α-helix	trans	-59	-49.2	173.8	167.9	-99.1	0	0	0	111.7	S142 L143 A144 Y149 S150 A152	S142-Y146 PolarHBondContact O-N 2.59Å; S142-Y146 VanDerWaalsContact O-N 3.07Å; L143-Y146 WeakPolarHBondContact O-CB 3.5Å; L143-Y146 PolarHBondContact O-N 3.19Å; L143-Y146 VanDerWaalsContact O-N 3.11Å; A144-Y146 VanDerWaalsContact C-N 3.33Å; A144-Y146 PolarHBondContact O-N 3.05Å; Y146-Y149 PolarHBondContact O-N 2.84Å; Y146-S150 WeakPolarHBondContact O-CB 3.31Å; Y146-S150 PolarHBondContact O-N 3.35Å; Y146-S150 PolarHBondContact O-OG 3.37Å; Y146-A152 HydrophobicContact CE1-CB 4.02Å
147	V	92.7	Very high	90.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.8	-49.4	177.5	172.7	0	0	0	0	111.4	L93 F115 F117 L143 A144 Y149 Q151 L154	L93-V147 HydrophobicContact CD2-CB 4.03Å; L93-V147 HydrophobicContact CD2-CG1 3.75Å; L93-V147 HydrophobicContact CD2-CG2 4.5Å; F115-V147 HydrophobicContact CD1-CG1 3.72Å; F115-V147 HydrophobicContact CD2-CG1 3.78Å; F115-V147 HydrophobicContact CE1-CG1 3.72Å; F115-V147 HydrophobicContact CE2-CG1 3.78Å; F115-V147 HydrophobicContact CG-CG1 3.77Å; F115-V147 HydrophobicContact CZ-CG1 3.75Å; F117-V147 HydrophobicContact CZ-CG1 4.26Å; F117-V147 HydrophobicContact CZ-CG2 4.29Å; L143-V147 PolarHBondContact O-N 3.42Å; A144-V147 PolarHBondContact O-N 3.33Å; V147-Y149 PolarHBondContact O-N 2.65Å; V147-Q151 VanDerWaalsContact O-CA 3.26Å; V147-Q151 WeakPolarHBondContact O-CA 3.15Å; V147-Q151 PolarHBondContact O-N 2.87Å; V147-L154 HydrophobicContact CG2-CD1 3.49Å; V147-L154 VanDerWaalsContact CG2-CD1 3.49Å; V147-L154 HydrophobicContact CG2-CG 4.02Å
148	F	91	Very high	90.4	Very high	25 Å²	25	48.6 Å²	48.6	11%	0.11	23%	0.231	C	C	.	.	H	α-helix	trans	-64.6	-34.2	179.3	-88.7	-87.6	0	0	0	113.8	F58 P65 L93 L102 H103 F115 A144 R145 Q151	F58-F148 HydrophobicContact CE1-CD1 4.16Å; P65-F148 HydrophobicContact CB-CD2 3.42Å; P65-F148 VanDerWaalsContact CB-CD2 3.42Å; P65-F148 HydrophobicContact CB-CE2 3.49Å; P65-F148 VanDerWaalsContact CB-CE2 3.49Å; P65-F148 HydrophobicContact CB-CG 4.15Å; P65-F148 HydrophobicContact CB-CZ 4.29Å; P65-F148 HydrophobicContact CG-CD2 3.95Å; P65-F148 HydrophobicContact CG-CE2 4.5Å; P65-F148 HydrophobicContact CG-CG 4.43Å; L93-F148 HydrophobicContact CD2-CD2 4.24Å; L93-F148 HydrophobicContact CD2-CE2 3.99Å; L102-F148 HydrophobicContact CD1-CE1 3.64Å; L102-F148 HydrophobicContact CD1-CZ 4.19Å; L102-F148 HydrophobicContact CD2-CE1 4.24Å; L102-F148 HydrophobicContact CD2-CZ 3.93Å; L102-F148 HydrophobicContact CG-CE1 3.97Å; L102-F148 HydrophobicContact CG-CZ 4.15Å; H103-F148 AromaticContact CE1-CE1 3.96Å; H103-F148 AromaticContact CE1-CZ 3.57Å; H103-F148 AromaticContact NE2-CZ 3.86Å; F115-F148 HydrophobicContact CD2-CE2 4.3Å; F115-F148 HydrophobicContact CD2-CZ 4.35Å; F115-F148 AromaticContact CE2-CD1 3.87Å; F115-F148 HydrophobicContact CE2-CD1 3.87Å; F115-F148 AromaticContact CE2-CD2 3.85Å; F115-F148 HydrophobicContact CE2-CD2 3.85Å; F115-F148 AromaticContact CE2-CE1 3.78Å; F115-F148 HydrophobicContact CE2-CE1 3.78Å; F115-F148 AromaticContact CE2-CE2 3.78Å; F115-F148 HydrophobicContact CE2-CE2 3.78Å; F115-F148 AromaticContact CE2-CG 3.92Å; F115-F148 HydrophobicContact CE2-CG 3.92Å; F115-F148 AromaticContact CE2-CZ 3.75Å; F115-F148 HydrophobicContact CE2-CZ 3.75Å; F115-F148 HydrophobicContact CZ-CD1 4.27Å; F115-F148 HydrophobicContact CZ-CG 4.34Å; A144-F148 WeakPolarHBondContact O-CD2 3.45Å; A144-F148 PolarHBondContact O-N 2.87Å; R145-F148 PolarHBondContact O-N 2.79Å; F148-Q151 PolarHBondContact O-NE2 3.48Å
149	Y	88.7	Confident	90.1	Very high	169 Å²	169	45.2 Å²	45.2	66%	0.663	22%	0.216	S	C	*	.	H	α-helix	trans	-81.9	-35	178.4	-68.3	-44.9	0	0	0	114.1	R145 Y146 V147	R145-Y149 HydrophobicContact CB-CD2 4.23Å; R145-Y149 HydrophobicContact CB-CE2 4.01Å; R145-Y149 HydrophobicContact CG-CE2 4.44Å; R145-Y149 WeakPolarHBondContact O-CB 3.48Å; R145-Y149 WeakPolarHBondContact O-CD2 3.23Å; R145-Y149 PolarHBondContact O-N 3.49Å; Y146-Y149 PolarHBondContact O-N 2.84Å; V147-Y149 PolarHBondContact O-N 2.65Å
150	S	82.6	Confident	89.8	Confident	44 Å²	44	46 Å²	46	31%	0.308	22%	0.22	S	C	.	.	H	α-helix	trans	-88.3	-20	-179.7	61.2	0	0	0	0	113.7	Y146 A152	Y146-S150 WeakPolarHBondContact O-CB 3.31Å; Y146-S150 PolarHBondContact O-N 3.35Å; Y146-S150 PolarHBondContact O-OG 3.37Å; S150-A152 PolarHBondContact O-N 2.89Å; S150-A152 WeakPolarHBondContact OG-CB 3.5Å; S150-A152 PolarHBondContact OG-N 3.2Å; S150-A152 VanDerWaalsContact OG-N 3.15Å
151	Q	87.3	Confident	89.3	Confident	125 Å²	125	49.7 Å²	49.7	58%	0.584	24%	0.243	S	C	*	.			trans	57.4	23.3	-165.2	-57.7	-70.2	-64.5	0	0	113.2	V147 F148 Q153	V147-Q151 VanDerWaalsContact O-CA 3.26Å; V147-Q151 WeakPolarHBondContact O-CA 3.15Å; V147-Q151 PolarHBondContact O-N 2.87Å; F148-Q151 PolarHBondContact O-NE2 3.48Å; Q151-Q153 PolarHBondContact O-N 2.94Å
152	A	75.5	Confident	88.9	Confident	13 Å²	13	51.1 Å²	51.1	11%	0.107	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-64.6	129.6	178.4	0	0	0	0	0	111.9	Y146 S150	Y146-A152 HydrophobicContact CE1-CB 4.02Å; S150-A152 PolarHBondContact O-N 2.89Å; S150-A152 WeakPolarHBondContact OG-CB 3.5Å; S150-A152 PolarHBondContact OG-N 3.2Å; S150-A152 VanDerWaalsContact OG-N 3.15Å
153	Q	83.3	Confident	88.2	Confident	158 Å²	158	55.7 Å²	55.7	74%	0.738	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-81	126.3	163.2	-67	178	-16.6	0	0	107.8	Q151	Q151-Q153 PolarHBondContact O-N 2.94Å
154	L	88.5	Confident	87.8	Confident	14 Å²	14	57.9 Å²	57.9	7%	0.073	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-101.6	141.1	176.2	-63.7	178.3	0	0	0	109.2	F117 V147 L297 L316	F117-L154 HydrophobicContact CE1-CB 4.13Å; F117-L154 HydrophobicContact CE2-CB 4.22Å; F117-L154 HydrophobicContact CE2-CD1 4.08Å; F117-L154 HydrophobicContact CZ-CB 3.74Å; F117-L154 HydrophobicContact CZ-CD1 3.92Å; F117-L154 HydrophobicContact CZ-CG 3.97Å; V147-L154 HydrophobicContact CG2-CD1 3.49Å; V147-L154 VanDerWaalsContact CG2-CD1 3.49Å; V147-L154 HydrophobicContact CG2-CG 4.02Å; L154-L297 HydrophobicContact CB-CD1 3.97Å; L154-L297 HydrophobicContact CD1-CD1 4.14Å; L154-L297 HydrophobicContact CD2-CD1 4.13Å; L154-L297 HydrophobicContact CG-CD1 4.31Å; L154-L316 HydrophobicContact CB-CD1 4.15Å; L154-L316 VanDerWaalsContact O-CD1 3.29Å; L154-L316 WeakPolarHBondContact O-CD1 3.5Å
155	M	89.1	Confident	87.6	Confident	104 Å²	104	58.1 Å²	58.1	51%	0.512	29%	0.293	S	S	.	.			trans	-130.7	159.5	-174.1	-63.9	-64.8	-70	0	0	111.4	G157 D158 P683	M155-G157 PolarHBondContact O-N 3.39Å; M155-D158 PolarHBondContact N-OD2 2.91Å; M155-D158 WeakPolarHBondContact O-CB 3.45Å; M155-D158 PolarHBondContact O-N 2.92Å; M155-P683 HydrophobicContact CB-CB 3.79Å; M155-P683 HydrophobicContact CB-CG 4.33Å; M155-P683 HydrophobicContact CG-CB 4.46Å
156	A	91.4	Very high	87.5	Confident	32 Å²	32	54 Å²	54	26%	0.264	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	128.6	170.8	0	0	0	0	0	110.4	E299 L316 P683	A156-E299 HydrophobicContact CB-CG 3.67Å; A156-L316 HydrophobicContact CB-CD2 4.28Å; A156-P683 WeakPolarHBondContact O-CG 3.21Å
157	G	87.6	Confident	87.6	Confident	5 Å²	5	52.2 Å²	52.2	5%	0.052	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	101.9	-14.2	-171.2	0	0	0	0	0	114.4	M155 L297 P683	M155-G157 PolarHBondContact O-N 3.39Å; G157-L297 PolarHBondContact N-O 3.19Å; G157-P683 VanDerWaalsContact C-CG 3.44Å
158	D	86.8	Confident	87.2	Confident	8 Å²	8	56.1 Å²	56.1	4%	0.043	29%	0.291	C	S	.	.			trans	-66.6	149.8	176	-88.6	-43.4	0	0	0	111.9	M155 L297	M155-D158 PolarHBondContact N-OD2 2.91Å; M155-D158 WeakPolarHBondContact O-CB 3.45Å; M155-D158 PolarHBondContact O-N 2.92Å; D158-L297 HydrophobicContact CB-CB 4.35Å; D158-L297 HydrophobicContact CB-CD1 3.77Å; D158-L297 PolarHBondContact O-N 3.04Å
159	H	88.2	Confident	86	Confident	23 Å²	23	60 Å²	60	11%	0.106	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	147.4	175.1	63.1	-94.7	0	0	0	112	M295 L326 V329 Q330 T685	H159-M295 CarbonylContact C-O 3.29Å; H159-M295 WeakPolarHBondContact CA-O 3.29Å; H159-L326 HydrophobicContact CB-CD1 3.85Å; H159-L326 VanDerWaalsContact CD2-CD1 3.47Å; H159-L326 WeakPolarHBondContact CD2-CD1 3.44Å; H159-V329 HydrophobicContact CB-CG1 3.75Å; H159-Q330 VanDerWaalsContact CE1-CG 3.44Å; H159-Q330 WeakPolarHBondContact CE1-CG 3.45Å; H159-Q330 WeakPolarHBondContact NE2-CG 3.49Å; H159-Q330 PolarHBondContact NE2-NE2 2.97Å; H159-Q330 VanDerWaalsContact NE2-NE2 3.18Å; H159-T685 WeakPolarHBondContact CE1-CG2 3.33Å
160	I	89.4	Confident	84.5	Confident	25 Å²	25	54.4 Å²	54.4	13%	0.128	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	97.4	-176.6	-53.8	174	0	0	0	107.6	L143 W162 M295 L297 L318	L143-I160 HydrophobicContact CD1-CD1 4.45Å; L143-I160 HydrophobicContact CD2-CD1 3.88Å; L143-I160 HydrophobicContact CD2-CG2 4.16Å; I160-W162 HydrophobicContact CG2-CE3 4.35Å; I160-W162 PolarHBondContact O-N 3.02Å; I160-M295 HydrophobicContact CB-CB 4.33Å; I160-M295 HydrophobicContact CB-CE 4.22Å; I160-M295 HydrophobicContact CG2-CE 3.96Å; I160-M295 PolarHBondContact N-O 3.08Å; I160-M295 PolarHBondContact O-N 3.09Å; I160-L297 HydrophobicContact CD1-CD1 4.07Å; I160-L297 HydrophobicContact CD1-CG 4.49Å; I160-L297 HydrophobicContact CG1-CD1 4.48Å; I160-L318 HydrophobicContact CD1-CD2 4.37Å
161	P	87.9	Confident	82.4	Confident	77 Å²	77	57.2 Å²	57.2	50%	0.5	31%	0.306	S	S	.	.			trans	-60.9	130	167.6	-17.9	32.1	0	0	0	108.9	L326	P161-L326 HydrophobicContact CB-CD2 3.92Å; P161-L326 HydrophobicContact CG-CD1 4.45Å; P161-L326 HydrophobicContact CG-CD2 4.12Å
162	W	88.3	Confident	80.2	Confident	45 Å²	45	60.1 Å²	60.1	17%	0.17	32%	0.317	C	S	.	.			trans	-143.4	135.7	-169.9	-175.7	-89.6	0	0	0	110.4	L139 L143 I160 T164 L166 H293 H294 M295	L139-W162 HydrophobicContact CD1-CD2 4.46Å; L139-W162 HydrophobicContact CD1-CH2 4.18Å; L139-W162 HydrophobicContact CD1-CZ2 3.67Å; L143-W162 HydrophobicContact CD2-CE3 4.33Å; L143-W162 HydrophobicContact CD2-CZ3 3.95Å; I160-W162 HydrophobicContact CG2-CE3 4.35Å; I160-W162 PolarHBondContact O-N 3.02Å; W162-T164 VanDerWaalsContact CD1-O 3.3Å; W162-T164 PolarHBondContact O-N 3.33Å; W162-L166 HydrophobicContact CG-CD2 4.19Å; W162-H293 WeakPolarHBondContact CB-O 3.48Å; W162-H293 VanDerWaalsContact O-O 3.06Å; W162-H294 PolarHBondContact N-ND1 3.11Å; W162-H294 PolarHBondContact O-CE1 3.02Å; W162-H294 PolarHBondContact O-ND1 3.18Å; W162-M295 HydrophobicContact CB-CE 3.8Å; W162-M295 HydrophobicContact CD2-CE 3.75Å; W162-M295 HydrophobicContact CE3-CE 3.88Å; W162-M295 HydrophobicContact CG-CE 3.73Å
163	P	78	Confident	78	Confident	114 Å²	114	62.6 Å²	62.6	74%	0.74	33%	0.333	S	S	*	.	S	Bend	trans	-86.7	-1.7	-154.5	33.5	-38.7	0	0	0	115.8
164	T	86.4	Confident	75.6	Confident	49 Å²	49	56.8 Å²	56.8	30%	0.301	31%	0.31	S	S	.	.	S	Bend	trans	-150.7	159.4	-175.5	57.1	0	0	0	0	111.1	W162 L166	W162-T164 VanDerWaalsContact CD1-O 3.3Å; W162-T164 PolarHBondContact O-N 3.33Å; T164-L166 PolarHBondContact O-N 3.32Å
165	S	91.4	Very high	73.2	Confident	4 Å²	4	64.2 Å²	64.2	3%	0.028	35%	0.345	C	S	.	.			trans	-45.4	130.1	170.5	-40.8	0	0	0	0	111.8	D167 K168 S290 I292 H293	S165-D167 WeakPolarHBondContact CB-OD1 3.48Å; S165-D167 PolarHBondContact O-N 3.03Å; S165-D167 VanDerWaalsContact O-N 3.12Å; S165-K168 WeakPolarHBondContact O-CB 3.1Å; S165-K168 PolarHBondContact O-N 3.06Å; S165-K168 PolarHBondContact OG-NZ 2.8Å; S165-K168 VanDerWaalsContact OG-NZ 3.14Å; S165-S290 PolarHBondContact OG-O 3.05Å; S165-I292 WeakPolarHBondContact CA-O 3.42Å; S165-H293 PolarHBondContact N-CD2 3.25Å
166	L	93	Very high	70.8	Confident	5 Å²	5	65.8 Å²	65.8	3%	0.026	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-25.1	-169.7	-58.1	-177.4	0	0	0	114	W135 L139 W162 T164 K168 I292 H293 M295 M356	W135-L166 HydrophobicContact CH2-CB 4.37Å; W135-L166 HydrophobicContact CZ3-CB 4.07Å; W135-L166 WeakPolarHBondContact CZ3-O 3.37Å; L139-L166 HydrophobicContact CD1-CD2 4.43Å; L139-L166 HydrophobicContact CD2-CB 4.15Å; L139-L166 HydrophobicContact CD2-CD1 4.44Å; L139-L166 HydrophobicContact CD2-CD2 4.41Å; W162-L166 HydrophobicContact CG-CD2 4.19Å; T164-L166 PolarHBondContact O-N 3.32Å; L166-K168 VanDerWaalsContact C-N 3.27Å; L166-K168 PolarHBondContact O-N 2.86Å; L166-I292 HydrophobicContact CD1-CG2 3.76Å; L166-I292 HydrophobicContact CG-CG2 4.18Å; L166-I292 PolarHBondContact N-O 3.02Å; L166-H293 WeakPolarHBondContact CD2-O 3.44Å; L166-M295 HydrophobicContact CD1-CG 3.73Å; L166-M295 HydrophobicContact CD1-SD 4.35Å; L166-M295 HydrophobicContact CD2-CE 3.92Å; L166-M295 HydrophobicContact CD2-CG 3.96Å; L166-M295 HydrophobicContact CD2-SD 3.98Å; L166-M356 HydrophobicContact CB-CE 3.76Å; L166-M356 HydrophobicContact CB-SD 4.2Å; L166-M356 HydrophobicContact CG-CE 4.44Å
167	D	92	Very high	68.1	Low	58 Å²	58	67.2 Å²	67.2	31%	0.31	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-19.3	177.1	65	-53.1	0	0	0	113.6	W135 S165 M356	W135-D167 HydrophobicContact CD2-CB 4.21Å; W135-D167 HydrophobicContact CZ2-CB 4.32Å; S165-D167 WeakPolarHBondContact CB-OD1 3.48Å; S165-D167 PolarHBondContact O-N 3.03Å; S165-D167 VanDerWaalsContact O-N 3.12Å; D167-M356 HydrophobicContact CB-CE 4.07Å
168	K	85.1	Confident	65.8	Low	81 Å²	81	71.5 Å²	71.5	35%	0.352	38%	0.377	S	S	.	.	S	Bend	trans	-96.3	129.2	-176.5	-64	170.3	-170	158.9	0	110.4	S165 L166	S165-K168 WeakPolarHBondContact O-CB 3.1Å; S165-K168 PolarHBondContact O-N 3.06Å; S165-K168 PolarHBondContact OG-NZ 2.8Å; S165-K168 VanDerWaalsContact OG-NZ 3.14Å; L166-K168 VanDerWaalsContact C-N 3.27Å; L166-K168 PolarHBondContact O-N 2.86Å
169	Q	66.1	Low	63.7	Low	106 Å²	106	76.6 Å²	76.6	50%	0.495	40%	0.399	S	S	.	.			trans	-61.8	137.6	164.6	-68.4	-172.7	-11.8	0	0	109.9	H138 N171	H138-Q169 PolarHBondContact CD2-NE2 2.76Å; H138-Q169 PolarHBondContact NE2-NE2 2.76Å; Q169-N171 PolarHBondContact O-N 2.82Å
170	P	56.9	Low	61.5	Low	53 Å²	53	84.6 Å²	84.6	34%	0.344	43%	0.428	S	S	.	.			trans	-62.2	112.2	173.2	24.8	-32.8	0	0	0	109.3	F172	P170-F172 HydrophobicContact CB-CD2 4.32Å; P170-F172 HydrophobicContact CB-CE2 4.14Å; P170-F172 HydrophobicContact CG-CE2 4.47Å; P170-F172 WeakPolarHBondContact O-CD2 3.4Å; P170-F172 PolarHBondContact O-N 3.03Å
171	N	38.8	Very low	59.4	Low	102 Å²	102	92.3 Å²	92.3	55%	0.545	46%	0.456	S	S	.	.			trans	-77.1	59.6	-164.4	-100.8	-34.3	0	0	0	113.9	Q169 S173 S174	Q169-N171 PolarHBondContact O-N 2.82Å; N171-S173 PolarHBondContact O-N 3.34Å; N171-S173 VanDerWaalsContact O-N 3.13Å; N171-S174 PolarHBondContact O-N 2.75Å; N171-S174 PolarHBondContact O-OG 2.73Å
172	F	39.6	Very low	57.4	Low	187 Å²	187	96.1 Å²	96.1	82%	0.82	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-18.9	167	-71.8	-78.1	0	0	0	112.8	P170	P170-F172 HydrophobicContact CB-CD2 4.32Å; P170-F172 HydrophobicContact CB-CE2 4.14Å; P170-F172 HydrophobicContact CG-CE2 4.47Å; P170-F172 WeakPolarHBondContact O-CD2 3.4Å; P170-F172 PolarHBondContact O-N 3.03Å
173	S	30.2	Very low	55.4	Low	64 Å²	64	98.7 Å²	98.7	45%	0.448	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-22.4	-179.6	61.8	0	0	0	0	114.6	N171 Q175 Q176 S177	N171-S173 PolarHBondContact O-N 3.34Å; N171-S173 VanDerWaalsContact O-N 3.13Å; S173-Q175 PolarHBondContact O-N 3.32Å; S173-Q176 CarbonylContact O-C 3.53Å; S173-Q176 PolarHBondContact O-N 3.05Å; S173-S177 PolarHBondContact O-N 3.01Å; S173-S177 PolarHBondContact O-OG 2.92Å
174	S	32.4	Very low	53.8	Low	37 Å²	37	101.3 Å²	101.3	26%	0.259	48%	0.476	S	S	.	.	H	α-helix	trans	-64.5	-42	-172.5	65.3	0	0	0	0	112.4	N171 Q176 S177 E178	N171-S174 PolarHBondContact O-N 2.75Å; N171-S174 PolarHBondContact O-OG 2.73Å; S174-Q176 PolarHBondContact O-N 2.8Å; S174-Q176 VanDerWaalsContact O-N 3.09Å; S174-S177 PolarHBondContact O-N 2.85Å; S174-E178 WeakPolarHBondContact O-CB 3.32Å; S174-E178 PolarHBondContact O-N 3.01Å
175	Q	39.1	Very low	51.7	Low	170 Å²	170	107.1 Å²	107.1	79%	0.794	50%	0.5	S	S	*	.	H	α-helix	trans	-62	-18	175.2	-63.8	-167.3	9.9	0	0	113.6	S173 K179	S173-Q175 PolarHBondContact O-N 3.32Å; Q175-K179 VanDerWaalsContact O-CB 3.31Å; Q175-K179 WeakPolarHBondContact O-CB 3.49Å
176	Q	37.5	Very low	49.4	Very low	137 Å²	137	114 Å²	114	64%	0.64	53%	0.531	S	S	*	.	H	α-helix	trans	-98.4	-42.7	172.3	-66.4	-167.4	2.2	0	0	113.1	S173 S174 K179 R180	S173-Q176 CarbonylContact O-C 3.53Å; S173-Q176 PolarHBondContact O-N 3.05Å; S174-Q176 PolarHBondContact O-N 2.8Å; S174-Q176 VanDerWaalsContact O-N 3.09Å; Q176-K179 PolarHBondContact O-N 2.94Å; Q176-R180 WeakPolarHBondContact O-CB 3.38Å; Q176-R180 WeakPolarHBondContact O-CG 3.32Å; Q176-R180 PolarHBondContact O-N 3.43Å
177	S	35	Very low	46.9	Very low	62 Å²	62	121.8 Å²	121.8	43%	0.434	57%	0.567	S	S	.	*	H	α-helix	trans	-71	-32.9	-177.5	67.7	0	0	0	0	112	S173 S174 R181	S173-S177 PolarHBondContact O-N 3.01Å; S173-S177 PolarHBondContact O-OG 2.92Å; S174-S177 PolarHBondContact O-N 2.85Å; S177-R181 WeakPolarHBondContact O-CB 3.1Å; S177-R181 PolarHBondContact O-N 3.13Å
178	E	39.8	Very low	44.4	Very low	94 Å²	94	127.9 Å²	127.9	44%	0.439	59%	0.594	S	S	.	*	H	α-helix	trans	-79.2	-34.7	175.7	-149.1	176.4	135.3	0	0	111.7	S174 R180 R181 R182	S174-E178 WeakPolarHBondContact O-CB 3.32Å; S174-E178 PolarHBondContact O-N 3.01Å; E178-R180 VanDerWaalsContact C-N 3.33Å; E178-R181 PolarHBondContact O-N 3.46Å; E178-R182 WeakPolarHBondContact O-CB 3.43Å; E178-R182 VanDerWaalsContact O-CG 3.22Å; E178-R182 WeakPolarHBondContact O-CG 3.09Å; E178-R182 PolarHBondContact O-N 3.33Å; E178-R182 IonicContact OE1-CZ 3.47Å; E178-R182 IonicContact OE1-NE 2.74Å; E178-R182 PolarHBondContact OE1-NE 3.27Å; E178-R182 IonicContact OE1-NH2 3.87Å; E178-R182 PolarHBondContact OE1-NH2 3.47Å
179	K	43.5	Very low	42.2	Very low	115 Å²	115	131.7 Å²	131.7	50%	0.5	61%	0.613	S	S	.	*	H	α-helix	trans	-61.5	-41.8	167.9	-162.8	175.6	-174.1	-175.8	0	110.9	Q175 Q176 H183	Q175-K179 VanDerWaalsContact O-CB 3.31Å; Q175-K179 WeakPolarHBondContact O-CB 3.49Å; Q176-K179 PolarHBondContact O-N 2.94Å; K179-H183 WeakPolarHBondContact O-CB 3.42Å; K179-H183 PolarHBondContact O-CD2 3.26Å; K179-H183 VanDerWaalsContact O-CG 3.28Å; K179-H183 PolarHBondContact O-N 2.8Å
180	R	42.2	Very low	40.7	Very low	191 Å²	191	135.6 Å²	135.6	72%	0.721	63%	0.631	S	S	*	*	H	α-helix	trans	-66.6	-41.5	172.7	-77.9	177.6	124.6	171	-1.5	113.2	Q176 E178 H183 H184	Q176-R180 WeakPolarHBondContact O-CB 3.38Å; Q176-R180 WeakPolarHBondContact O-CG 3.32Å; Q176-R180 PolarHBondContact O-N 3.43Å; E178-R180 VanDerWaalsContact C-N 3.33Å; R180-H183 PolarHBondContact O-N 2.92Å; R180-H184 PolarHBondContact O-N 3.41Å
181	R	45.1	Very low	39.6	Very low	188 Å²	188	142.1 Å²	142.1	71%	0.709	66%	0.657	S	S	*	*	H	α-helix	trans	-64.2	-46.5	175.2	-88.6	-176.9	145.8	159.7	-5.4	111.8	S177 E178 H183 H184 Q185	S177-R181 WeakPolarHBondContact O-CB 3.1Å; S177-R181 PolarHBondContact O-N 3.13Å; E178-R181 PolarHBondContact O-N 3.46Å; R181-H183 VanDerWaalsContact C-N 3.31Å; R181-H183 PolarHBondContact O-N 2.84Å; R181-H184 PolarHBondContact O-N 3.47Å; R181-Q185 WeakPolarHBondContact O-CB 3.38Å; R181-Q185 PolarHBondContact O-N 2.73Å
182	R	45.2	Very low	39.4	Very low	157 Å²	157	145.8 Å²	145.8	59%	0.592	67%	0.671	S	S	*	*	H	α-helix	trans	-59.2	-40.5	174.1	-67.5	172.7	-166.6	-154	7.2	111.3	E178 H186	E178-R182 WeakPolarHBondContact O-CB 3.43Å; E178-R182 VanDerWaalsContact O-CG 3.22Å; E178-R182 WeakPolarHBondContact O-CG 3.09Å; E178-R182 PolarHBondContact O-N 3.33Å; E178-R182 IonicContact OE1-CZ 3.47Å; E178-R182 IonicContact OE1-NE 2.74Å; E178-R182 PolarHBondContact OE1-NE 3.27Å; E178-R182 IonicContact OE1-NH2 3.87Å; E178-R182 PolarHBondContact OE1-NH2 3.47Å; R182-H186 WeakPolarHBondContact O-CB 3.25Å; R182-H186 PolarHBondContact O-N 2.93Å; R182-H186 VanDerWaalsContact O-N 3.16Å
183	H	45.9	Very low	39.1	Very low	98 Å²	98	145.3 Å²	145.3	45%	0.454	67%	0.671	S	S	.	*	H	α-helix	trans	-68.3	-37.1	173.5	-72.8	-27.7	0	0	0	114.6	K179 R180 R181	K179-H183 WeakPolarHBondContact O-CB 3.42Å; K179-H183 PolarHBondContact O-CD2 3.26Å; K179-H183 VanDerWaalsContact O-CG 3.28Å; K179-H183 PolarHBondContact O-N 2.8Å; R180-H183 PolarHBondContact O-N 2.92Å; R181-H183 VanDerWaalsContact C-N 3.31Å; R181-H183 PolarHBondContact O-N 2.84Å
184	H	44.4	Very low	39.2	Very low	169 Å²	169	148 Å²	148	78%	0.782	69%	0.685	S	S	*	*	H	α-helix	trans	-74.2	-34.4	176.5	-107.5	36.9	0	0	0	112.9	R180 R181 H187	R180-H184 PolarHBondContact O-N 3.41Å; R181-H184 PolarHBondContact O-N 3.47Å; H184-H187 PolarHBondContact O-N 2.94Å
185	Q	43.5	Very low	39.4	Very low	172 Å²	172	154.4 Å²	154.4	80%	0.804	72%	0.716	S	S	*	*	H	α-helix	trans	-82.3	-20.3	-177.1	-156.4	161.8	4.2	0	0	113.1	R181	R181-Q185 WeakPolarHBondContact O-CB 3.38Å; R181-Q185 PolarHBondContact O-N 2.73Å
186	H	42	Very low	39.7	Very low	147 Å²	147	155.1 Å²	155.1	68%	0.681	72%	0.717	S	S	*	*	S	Bend	trans	-81.6	-13.2	166.5	-93	-79.2	0	0	0	114.4	R182 Q188	R182-H186 WeakPolarHBondContact O-CB 3.25Å; R182-H186 PolarHBondContact O-N 2.93Å; R182-H186 VanDerWaalsContact O-N 3.16Å; H186-Q188 PolarHBondContact O-N 2.92Å
187	H	40.2	Very low	40	Very low	169 Å²	169	155.4 Å²	155.4	78%	0.782	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	22.1	-169.4	-129.2	67.2	0	0	0	115.6	H184	H184-H187 PolarHBondContact O-N 2.94Å
188	Q	41.4	Very low	40.5	Very low	187 Å²	187	157.4 Å²	157.4	87%	0.874	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.2	-3.2	179.1	-118.5	177.6	21.3	0	0	115	H186	H186-Q188 PolarHBondContact O-N 2.92Å
189	Q	37.5	Very low	40.8	Very low	161 Å²	161	158.6 Å²	158.6	75%	0.752	73%	0.732	S	S	*	*	S	Bend	trans	-142.4	143	172.6	-66.1	-171.2	3.9	0	0	110.8
190	Q	35.6	Very low	41.2	Very low	187 Å²	187	157.1 Å²	157.1	87%	0.874	73%	0.733	S	S	*	*			trans	66	96.2	-180	-62.3	-178	0.1	0	0	115.4
191	Q	33.5	Very low	41.5	Very low	190 Å²	190	156.2 Å²	156.2	89%	0.888	73%	0.734	S	S	*	*			trans	-86.8	151	164.2	-154	161	13.3	0	0	108.4
192	Q	33.8	Very low	41.7	Very low	179 Å²	179	154.3 Å²	154.3	84%	0.836	73%	0.733	S	S	*	*	S	Bend	trans	87.4	140.6	-174.4	-49.6	175.7	29.1	0	0	115.5
193	Q	33.8	Very low	42.2	Very low	178 Å²	178	151.6 Å²	151.6	83%	0.832	73%	0.73	S	S	*	*			trans	58.7	97.2	176.2	-65.6	171.3	-78.2	0	0	118.6
194	T	31.4	Very low	42.6	Very low	121 Å²	121	149.5 Å²	149.5	74%	0.742	72%	0.72	S	S	*	*			trans	-177.1	53.6	135.3	23.8	0	0	0	0	115.7	K196	T194-K196 PolarHBondContact O-N 3Å
195	D	36.8	Very low	43.3	Very low	171 Å²	171	146.5 Å²	146.5	91%	0.914	71%	0.71	S	S	*	*			trans	-89.7	18.1	-179.1	-73	-57.9	0	0	0	116.2
196	K	46	Very low	44.1	Very low	185 Å²	185	140.4 Å²	140.4	80%	0.804	69%	0.689	S	S	*	*	S	Bend	trans	-119.7	-25.1	-166.1	-72.5	-172.2	175.2	-178.5	0	118.7	T194	T194-K196 PolarHBondContact O-N 3Å
197	E	42.9	Very low	44.8	Very low	142 Å²	142	140.5 Å²	140.5	66%	0.664	68%	0.684	S	S	*	*	S	Bend	trans	-90.4	-29.6	-169.9	-71	-175.6	102.2	0	0	115.3	N199 V200	E197-N199 VanDerWaalsContact C-N 3.33Å; E197-N199 PolarHBondContact O-N 3.1Å; E197-V200 PolarHBondContact O-N 3.3Å
198	I	46.9	Very low	45.5	Very low	105 Å²	105	136.7 Å²	136.7	54%	0.538	67%	0.665	S	S	.	*	H	α-helix	trans	-68.3	-33	-169.8	-64.1	176.6	0	0	0	112.2	V200	I198-V200 VanDerWaalsContact C-N 3.31Å; I198-V200 PolarHBondContact O-N 3.02Å
199	N	44.7	Very low	46	Very low	119 Å²	119	131.5 Å²	131.5	64%	0.636	65%	0.649	S	S	*	*	H	α-helix	trans	-69.6	-26.8	-178.8	-159	-14.3	0	0	0	112.6	E197 E202 L203	E197-N199 VanDerWaalsContact C-N 3.33Å; E197-N199 PolarHBondContact O-N 3.1Å; N199-E202 PolarHBondContact O-N 3.39Å; N199-L203 WeakPolarHBondContact O-CB 3.37Å; N199-L203 PolarHBondContact O-N 3.35Å; N199-L203 VanDerWaalsContact O-N 3.1Å
200	V	53	Low	47.1	Very low	83 Å²	83	129.5 Å²	129.5	50%	0.503	64%	0.642	S	S	.	*	H	α-helix	trans	-64.2	-48.8	-173	-176.3	0	0	0	0	111.8	E197 I198 E202 L203 E204	E197-V200 PolarHBondContact O-N 3.3Å; I198-V200 VanDerWaalsContact C-N 3.31Å; I198-V200 PolarHBondContact O-N 3.02Å; V200-E202 VanDerWaalsContact C-N 3.31Å; V200-E202 PolarHBondContact O-N 2.86Å; V200-L203 PolarHBondContact O-N 2.78Å; V200-E204 VanDerWaalsContact O-CB 3.27Å; V200-E204 WeakPolarHBondContact O-CB 3.17Å; V200-E204 PolarHBondContact O-N 3.4Å
201	K	47.4	Very low	47.8	Very low	172 Å²	172	122 Å²	122	75%	0.748	61%	0.612	S	S	*	*	H	α-helix	trans	-69.8	-26.2	-175.2	-71.5	-177.2	176.3	177.4	0	113.8	N205	K201-N205 PolarHBondContact O-N 3.1Å
202	E	50.5	Low	48.5	Very low	149 Å²	149	118.6 Å²	118.6	70%	0.696	60%	0.598	S	S	*	*	H	α-helix	trans	-81.2	-42	178.4	-156.9	153.4	-131.8	0	0	110.7	N199 V200 E204 N205 A206	N199-E202 PolarHBondContact O-N 3.39Å; V200-E202 VanDerWaalsContact C-N 3.31Å; V200-E202 PolarHBondContact O-N 2.86Å; E202-E204 VanDerWaalsContact C-N 3.26Å; E202-E204 PolarHBondContact O-N 3.41Å; E202-N205 PolarHBondContact O-N 3.35Å; E202-A206 PolarHBondContact O-N 3.09Å
203	L	54.9	Low	49.4	Very low	100 Å²	100	112.7 Å²	112.7	52%	0.524	58%	0.58	S	S	.	*	H	α-helix	trans	-59.5	-36.4	168.3	-176.4	63.6	0	0	0	112.2	N199 V200 A206 R207	N199-L203 WeakPolarHBondContact O-CB 3.37Å; N199-L203 PolarHBondContact O-N 3.35Å; N199-L203 VanDerWaalsContact O-N 3.1Å; V200-L203 PolarHBondContact O-N 2.78Å; L203-A206 PolarHBondContact O-N 3.02Å; L203-R207 WeakPolarHBondContact O-CB 3.24Å; L203-R207 WeakPolarHBondContact O-CG 3.33Å; L203-R207 PolarHBondContact O-N 2.76Å
204	E	55.6	Low	50.3	Low	53 Å²	53	106.9 Å²	106.9	25%	0.248	56%	0.562	C	S	.	*	H	α-helix	trans	-66.1	-44.7	179.2	-166.4	75.7	155.7	0	0	112.6	V200 E202 A206 R207 K208 N262	V200-E204 VanDerWaalsContact O-CB 3.27Å; V200-E204 WeakPolarHBondContact O-CB 3.17Å; V200-E204 PolarHBondContact O-N 3.4Å; E202-E204 VanDerWaalsContact C-N 3.26Å; E202-E204 PolarHBondContact O-N 3.41Å; E204-A206 VanDerWaalsContact C-N 3.35Å; E204-R207 PolarHBondContact O-N 3.48Å; E204-K208 WeakPolarHBondContact O-CG 3.38Å; E204-K208 PolarHBondContact O-N 3.06Å; E204-N262 WeakPolarHBondContact OE1-CB 3.38Å; E204-N262 PolarHBondContact OE1-ND2 2.8Å; E204-N262 PolarHBondContact OE2-ND2 2.89Å
205	N	58	Low	51.2	Low	107 Å²	107	103.2 Å²	103.2	57%	0.572	54%	0.544	S	S	*	.	H	α-helix	trans	-67.8	-35.9	174.7	-74.2	-13.5	0	0	0	111.6	K201 E202 K208 S209	K201-N205 PolarHBondContact O-N 3.1Å; E202-N205 PolarHBondContact O-N 3.35Å; N205-K208 PolarHBondContact O-N 3.42Å; N205-S209 PolarHBondContact O-N 3Å
206	A	61.5	Low	51.6	Low	44 Å²	44	97.8 Å²	97.8	36%	0.364	52%	0.523	S	S	.	.	H	α-helix	trans	-62.2	-44.1	171.5	0	0	0	0	0	111.8	E202 L203 E204 K208 S209 I210	E202-A206 PolarHBondContact O-N 3.09Å; L203-A206 PolarHBondContact O-N 3.02Å; E204-A206 VanDerWaalsContact C-N 3.35Å; A206-K208 PolarHBondContact O-N 2.91Å; A206-S209 PolarHBondContact O-N 2.83Å; A206-I210 WeakPolarHBondContact O-CB 3.36Å; A206-I210 WeakPolarHBondContact O-CD1 3.41Å; A206-I210 VanDerWaalsContact O-CG1 3.26Å; A206-I210 WeakPolarHBondContact O-CG1 3.34Å; A206-I210 PolarHBondContact O-N 2.81Å
207	R	55.5	Low	51.9	Low	149 Å²	149	92.7 Å²	92.7	56%	0.562	51%	0.508	S	S	*	.	H	α-helix	trans	-60.2	-42.5	175.3	-76.5	173.7	67.1	134.1	-2.4	112.2	L203 E204 I210 A211	L203-R207 WeakPolarHBondContact O-CB 3.24Å; L203-R207 WeakPolarHBondContact O-CG 3.33Å; L203-R207 PolarHBondContact O-N 2.76Å; E204-R207 PolarHBondContact O-N 3.48Å; R207-I210 PolarHBondContact O-N 3.13Å; R207-A211 WeakPolarHBondContact O-CB 3.35Å; R207-A211 PolarHBondContact O-N 2.93Å
208	K	54.1	Low	52.1	Low	88 Å²	88	88.4 Å²	88.4	38%	0.383	50%	0.496	S	S	.	.	H	α-helix	trans	-62.3	-44.2	175.9	-71.8	172.3	-178.6	179.2	0	112.1	E204 N205 A206 A211 M212	E204-K208 WeakPolarHBondContact O-CG 3.38Å; E204-K208 PolarHBondContact O-N 3.06Å; N205-K208 PolarHBondContact O-N 3.42Å; A206-K208 PolarHBondContact O-N 2.91Å; K208-A211 PolarHBondContact O-N 3.39Å; K208-M212 WeakPolarHBondContact O-CB 3.16Å; K208-M212 PolarHBondContact O-N 3.39Å
209	S	53.6	Low	52.1	Low	79 Å²	79	84.3 Å²	84.3	55%	0.552	48%	0.478	S	S	*	.	H	α-helix	trans	-62.7	-45.4	175.4	-174.3	0	0	0	0	112.4	N205 A206 M212 A213	N205-S209 PolarHBondContact O-N 3Å; A206-S209 PolarHBondContact O-N 2.83Å; S209-M212 PolarHBondContact O-N 3.28Å; S209-A213 WeakPolarHBondContact O-CB 3.24Å; S209-A213 PolarHBondContact O-N 3.28Å
210	I	59.7	Low	52.3	Low	118 Å²	118	82 Å²	82	61%	0.605	47%	0.471	S	S	*	.	H	α-helix	trans	-64.4	-41.7	178	-68.7	164.2	0	0	0	111.4	A206 R207 A213 A214	A206-I210 WeakPolarHBondContact O-CB 3.36Å; A206-I210 WeakPolarHBondContact O-CD1 3.41Å; A206-I210 VanDerWaalsContact O-CG1 3.26Å; A206-I210 WeakPolarHBondContact O-CG1 3.34Å; A206-I210 PolarHBondContact O-N 2.81Å; R207-I210 PolarHBondContact O-N 3.13Å; I210-A213 PolarHBondContact O-N 3Å; I210-A214 VanDerWaalsContact O-CB 3.32Å; I210-A214 WeakPolarHBondContact O-CB 3.41Å; I210-A214 PolarHBondContact O-N 2.91Å
211	A	51.2	Low	52.2	Low	30 Å²	30	82.3 Å²	82.3	25%	0.248	47%	0.469	C	S	.	.	H	α-helix	trans	-64.1	-41.9	176.9	0	0	0	0	0	112.2	R207 K208 A214 A215 V258	R207-A211 WeakPolarHBondContact O-CB 3.35Å; R207-A211 PolarHBondContact O-N 2.93Å; K208-A211 PolarHBondContact O-N 3.39Å; A211-A214 PolarHBondContact O-N 3.4Å; A211-A215 WeakPolarHBondContact O-CB 3.38Å; A211-A215 PolarHBondContact O-N 2.83Å; A211-V258 HydrophobicContact CB-CG1 3.84Å; A211-V258 HydrophobicContact CB-CG2 4.4Å
212	M	48.1	Very low	52.4	Low	119 Å²	119	79.6 Å²	79.6	59%	0.586	46%	0.462	S	S	*	.	H	α-helix	trans	-63.1	-44.6	175.6	-174.7	176	-77.3	0	0	111.9	K208 S209 A215 A216 L255	K208-M212 WeakPolarHBondContact O-CB 3.16Å; K208-M212 PolarHBondContact O-N 3.39Å; S209-M212 PolarHBondContact O-N 3.28Å; M212-A215 PolarHBondContact O-N 2.93Å; M212-A216 PolarHBondContact O-N 2.91Å; M212-L255 HydrophobicContact CE-CD2 4.2Å
213	A	52.7	Low	52.3	Low	55 Å²	55	75.3 Å²	75.3	46%	0.455	45%	0.452	S	S	.	.	H	α-helix	trans	-63.8	-40.4	175.3	0	0	0	0	0	112.5	S209 I210 T217	S209-A213 WeakPolarHBondContact O-CB 3.24Å; S209-A213 PolarHBondContact O-N 3.28Å; I210-A213 PolarHBondContact O-N 3Å; A213-T217 WeakPolarHBondContact O-CB 3.4Å; A213-T217 PolarHBondContact O-N 3.5Å; A213-T217 PolarHBondContact O-OG1 3.38Å
214	A	52.6	Low	52.1	Low	56 Å²	56	73.2 Å²	73.2	46%	0.463	45%	0.45	S	S	.	.	H	α-helix	trans	-65	-42.4	176.6	0	0	0	0	0	112.2	I210 A211 T217 A218	I210-A214 VanDerWaalsContact O-CB 3.32Å; I210-A214 WeakPolarHBondContact O-CB 3.41Å; I210-A214 PolarHBondContact O-N 2.91Å; A211-A214 PolarHBondContact O-N 3.4Å; A214-T217 PolarHBondContact O-N 3.33Å; A214-A218 WeakPolarHBondContact O-CB 3.28Å; A214-A218 PolarHBondContact O-N 3.02Å
215	A	49.2	Very low	51.6	Low	44 Å²	44	75.2 Å²	75.2	36%	0.364	46%	0.462	S	S	.	.	H	α-helix	trans	-62.9	-47.3	176.3	0	0	0	0	0	112	A211 M212 T217 A218 A219	A211-A215 WeakPolarHBondContact O-CB 3.38Å; A211-A215 PolarHBondContact O-N 2.83Å; M212-A215 PolarHBondContact O-N 2.93Å; A215-T217 VanDerWaalsContact C-N 3.3Å; A215-T217 PolarHBondContact O-N 3.47Å; A215-A218 PolarHBondContact O-N 2.98Å; A215-A219 WeakPolarHBondContact O-CB 3.47Å; A215-A219 PolarHBondContact O-N 3.48Å
216	A	46.3	Very low	50.9	Low	57 Å²	57	73.7 Å²	73.7	47%	0.471	46%	0.459	S	S	.	.	H	α-helix	trans	-61.1	-38.3	175.6	0	0	0	0	0	112.4	M212 S220	M212-A216 PolarHBondContact O-N 2.91Å; A216-S220 WeakPolarHBondContact O-CB 3.44Å; A216-S220 PolarHBondContact O-N 3.43Å; A216-S220 PolarHBondContact O-OG 3.46Å
217	T	50.9	Low	50.1	Low	78 Å²	78	75.7 Å²	75.7	48%	0.479	48%	0.476	S	S	.	.	H	α-helix	trans	-68.3	-43.4	176.6	-55.8	0	0	0	0	111.6	A213 A214 A215 S220 I221	A213-T217 WeakPolarHBondContact O-CB 3.4Å; A213-T217 PolarHBondContact O-N 3.5Å; A213-T217 PolarHBondContact O-OG1 3.38Å; A214-T217 PolarHBondContact O-N 3.33Å; A215-T217 VanDerWaalsContact C-N 3.3Å; A215-T217 PolarHBondContact O-N 3.47Å; T217-S220 PolarHBondContact O-N 2.94Å; T217-I221 HydrophobicContact CG2-CD1 3.89Å; T217-I221 HydrophobicContact CG2-CG1 4.5Å; T217-I221 VanDerWaalsContact O-CG1 3.32Å; T217-I221 WeakPolarHBondContact O-CG1 3.47Å; T217-I221 PolarHBondContact O-N 3.25Å
218	A	46.9	Very low	49.7	Very low	51 Å²	51	77 Å²	77	42%	0.421	49%	0.486	S	S	.	.	H	α-helix	trans	-64	-43.2	177.9	0	0	0	0	0	112.1	A214 A215 S220 I221 L222	A214-A218 WeakPolarHBondContact O-CB 3.28Å; A214-A218 PolarHBondContact O-N 3.02Å; A215-A218 PolarHBondContact O-N 2.98Å; A218-S220 VanDerWaalsContact C-N 3.34Å; A218-S220 PolarHBondContact O-N 3.31Å; A218-I221 PolarHBondContact O-N 2.96Å; A218-L222 PolarHBondContact O-N 3.42Å
219	A	47.4	Very low	49	Very low	20 Å²	20	78.1 Å²	78.1	17%	0.165	50%	0.5	C	S	.	.	H	α-helix	trans	-61.8	-41.8	173.9	0	0	0	0	0	111.9	A215 I221 L222 A223 Y247	A215-A219 WeakPolarHBondContact O-CB 3.47Å; A215-A219 PolarHBondContact O-N 3.48Å; A219-I221 PolarHBondContact O-N 3.04Å; A219-L222 PolarHBondContact O-N 3.27Å; A219-A223 PolarHBondContact O-N 3.22Å; A219-Y247 HydrophobicContact CB-CE2 4.11Å; A219-Y247 WeakPolarHBondContact CB-OH 3.41Å
220	S	48.8	Very low	48.1	Very low	70 Å²	70	78.1 Å²	78.1	49%	0.49	51%	0.513	S	S	.	.	H	α-helix	trans	-64.3	-37.7	175.3	-58.5	0	0	0	0	112.8	A216 T217 A218 A223 A224	A216-S220 WeakPolarHBondContact O-CB 3.44Å; A216-S220 PolarHBondContact O-N 3.43Å; A216-S220 PolarHBondContact O-OG 3.46Å; T217-S220 PolarHBondContact O-N 2.94Å; A218-S220 VanDerWaalsContact C-N 3.34Å; A218-S220 PolarHBondContact O-N 3.31Å; S220-A223 PolarHBondContact O-N 3.05Å; S220-A224 VanDerWaalsContact O-CB 3.25Å; S220-A224 WeakPolarHBondContact O-CB 3.38Å; S220-A224 PolarHBondContact O-N 3Å
221	I	51.6	Low	46.9	Very low	90 Å²	90	80.5 Å²	80.5	46%	0.462	53%	0.525	S	S	.	.	H	α-helix	trans	-70	-39.2	176.7	-71.4	168	0	0	0	111.3	T217 A218 A219 A224 N225	T217-I221 HydrophobicContact CG2-CD1 3.89Å; T217-I221 HydrophobicContact CG2-CG1 4.5Å; T217-I221 VanDerWaalsContact O-CG1 3.32Å; T217-I221 WeakPolarHBondContact O-CG1 3.47Å; T217-I221 PolarHBondContact O-N 3.25Å; A218-I221 PolarHBondContact O-N 2.96Å; A219-I221 PolarHBondContact O-N 3.04Å; I221-A224 PolarHBondContact O-N 2.89Å; I221-N225 WeakPolarHBondContact O-CB 3.49Å; I221-N225 PolarHBondContact O-N 3.23Å
222	L	51.7	Low	45.9	Very low	115 Å²	115	82.5 Å²	82.5	60%	0.602	55%	0.548	S	S	*	.	H	α-helix	trans	-62.3	-43.5	173.9	-78.9	162.4	0	0	0	111.5	A218 A219 S226	A218-L222 PolarHBondContact O-N 3.42Å; A219-L222 PolarHBondContact O-N 3.27Å; L222-S226 PolarHBondContact O-N 3.34Å
223	A	48.6	Very low	45	Very low	59 Å²	59	81.9 Å²	81.9	49%	0.488	56%	0.556	S	S	.	*	H	α-helix	trans	-66.8	-36.2	174	0	0	0	0	0	113.3	A219 S220 S226	A219-A223 PolarHBondContact O-N 3.22Å; S220-A223 PolarHBondContact O-N 3.05Å; A223-S226 PolarHBondContact O-OG 2.98Å
224	A	50.1	Low	44	Very low	56 Å²	56	84 Å²	84	46%	0.463	57%	0.567	S	S	.	*	H	α-helix	trans	-73.8	-32.6	179	0	0	0	0	0	113.3	S220 I221	S220-A224 VanDerWaalsContact O-CB 3.25Å; S220-A224 WeakPolarHBondContact O-CB 3.38Å; S220-A224 PolarHBondContact O-N 3Å; I221-A224 PolarHBondContact O-N 2.89Å
225	N	45.6	Very low	43.1	Very low	94 Å²	94	86.5 Å²	86.5	50%	0.503	58%	0.582	S	S	.	*	H	α-helix	trans	-77.6	-32.8	179.1	-77.7	-17.4	0	0	0	112.7	I221 A227 K228	I221-N225 WeakPolarHBondContact O-CB 3.49Å; I221-N225 PolarHBondContact O-N 3.23Å; N225-A227 PolarHBondContact O-N 3.06Å; N225-K228 PolarHBondContact O-N 3.07Å
226	S	42.3	Very low	42.6	Very low	75 Å²	75	88.1 Å²	88.1	52%	0.524	60%	0.595	S	S	.	*	H	α-helix	trans	-62.3	-24.8	175.2	64.7	0	0	0	0	112.9	L222 A223 K228	L222-S226 PolarHBondContact O-N 3.34Å; A223-S226 PolarHBondContact O-OG 2.98Å; S226-K228 VanDerWaalsContact C-N 3.29Å; S226-K228 PolarHBondContact O-N 2.95Å
227	A	45.1	Very low	42.3	Very low	86 Å²	86	88.7 Å²	88.7	71%	0.711	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-1	174	0	0	0	0	0	115	N225	N225-A227 PolarHBondContact O-N 3.06Å
228	K	46.2	Very low	41.7	Very low	177 Å²	177	89.9 Å²	89.9	77%	0.77	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124	-9.8	-173	-81.2	-177	174.5	176.7	0	116.4	N225 S226	N225-K228 PolarHBondContact O-N 3.07Å; S226-K228 VanDerWaalsContact C-N 3.29Å; S226-K228 PolarHBondContact O-N 2.95Å
229	T	39.8	Very low	41.5	Very low	111 Å²	111	90.9 Å²	90.9	68%	0.681	61%	0.606	S	S	*	*			trans	-110.9	82.6	-175	56	0	0	0	0	112.9	I231	T229-I231 PolarHBondContact O-N 2.85Å
230	G	34.8	Very low	41.4	Very low	79 Å²	79	91.9 Å²	91.9	81%	0.814	62%	0.615	S	S	*	*			trans	-82.5	88.2	169.8	0	0	0	0	0	112.5
231	I	34.1	Very low	41.1	Very low	168 Å²	168	92.6 Å²	92.6	86%	0.862	61%	0.613	S	S	*	*			trans	-156.7	135.8	161.8	-97.3	145.8	0	0	0	107.1	T229	T229-I231 PolarHBondContact O-N 2.85Å
232	G	30.9	Very low	40.7	Very low	72 Å²	72	93.8 Å²	93.8	74%	0.742	62%	0.624	S	S	*	*			trans	-89.8	131.1	-167.6	0	0	0	0	0	115.4
233	S	30	Very low	40.8	Very low	106 Å²	106	91.5 Å²	91.5	74%	0.741	61%	0.612	S	S	*	*			trans	-164.3	142.6	155.4	-82.3	0	0	0	0	111
234	S	31	Very low	40.9	Very low	100 Å²	100	93.6 Å²	93.6	70%	0.699	62%	0.621	S	S	*	*			trans	47.9	101.3	178.4	59.2	0	0	0	0	117.1
235	S	34.1	Very low	40.9	Very low	109 Å²	109	93.6 Å²	93.6	76%	0.762	62%	0.618	S	S	*	*	S	Bend	trans	-84.3	-12	-171.6	48.3	0	0	0	0	117.2
236	A	38.5	Very low	41.3	Very low	78 Å²	78	91.2 Å²	91.2	65%	0.645	61%	0.607	S	S	*	*	H	α-helix	trans	-79.5	-40.4	-171.5	0	0	0	0	0	114.6	L238 S239	A236-L238 VanDerWaalsContact C-N 3.32Å; A236-L238 PolarHBondContact O-N 2.83Å; A236-S239 PolarHBondContact O-OG 3.28Å; A236-S239 VanDerWaalsContact O-OG 3.1Å
237	A	39.2	Very low	41.5	Very low	68 Å²	68	92.4 Å²	92.4	56%	0.562	60%	0.6	S	S	*	*	H	α-helix	trans	-72.3	-27.2	-176.6	0	0	0	0	0	113
238	L	38	Very low	41.8	Very low	103 Å²	103	89.5 Å²	89.5	54%	0.539	58%	0.576	S	S	.	*	H	α-helix	trans	-76.7	-32.2	-177.1	-70.2	166.4	0	0	0	112.8	A236 A240 L241	A236-L238 VanDerWaalsContact C-N 3.32Å; A236-L238 PolarHBondContact O-N 2.83Å; L238-A240 VanDerWaalsContact C-N 3.35Å; L238-L241 PolarHBondContact O-N 3.21Å
239	S	43.1	Very low	42.2	Very low	73 Å²	73	84.8 Å²	84.8	51%	0.51	57%	0.566	S	S	.	*	H	α-helix	trans	-73.3	-27.1	174.5	59.4	0	0	0	0	112.9	A236 L241 T242	A236-S239 PolarHBondContact O-OG 3.28Å; A236-S239 VanDerWaalsContact O-OG 3.1Å; S239-L241 VanDerWaalsContact C-N 3.27Å; S239-L241 PolarHBondContact O-N 2.8Å; S239-T242 PolarHBondContact O-N 2.77Å; S239-T242 PolarHBondContact O-OG1 3.29Å
240	A	45.5	Very low	42.6	Very low	41 Å²	41	83.6 Å²	83.6	34%	0.339	55%	0.554	S	S	.	*	H	α-helix	trans	-62.9	-34.7	174.1	0	0	0	0	0	112.1	L238 T242 T246	L238-A240 VanDerWaalsContact C-N 3.35Å; A240-T242 VanDerWaalsContact C-N 3.34Å; A240-T246 HydrophobicContact CB-CG2 4.34Å; A240-T246 WeakPolarHBondContact O-CB 3.29Å; A240-T246 WeakPolarHBondContact O-CG2 3.36Å; A240-T246 PolarHBondContact O-OG1 3.34Å
241	L	42.9	Very low	43.3	Very low	85 Å²	85	82.6 Å²	82.6	45%	0.445	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-17.8	178.1	-80.6	157.4	0	0	0	114.1	L238 S239 M250	L238-L241 PolarHBondContact O-N 3.21Å; S239-L241 VanDerWaalsContact C-N 3.27Å; S239-L241 PolarHBondContact O-N 2.8Å; L241-M250 HydrophobicContact CD2-CE 3.81Å
242	T	44.1	Very low	44.2	Very low	115 Å²	115	76.4 Å²	76.4	71%	0.706	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-4.9	177.1	54.5	0	0	0	0	114	S239 A240	S239-T242 PolarHBondContact O-N 2.77Å; S239-T242 PolarHBondContact O-OG1 3.29Å; A240-T242 VanDerWaalsContact C-N 3.34Å
243	N	52.3	Low	45	Very low	66 Å²	66	76 Å²	76	35%	0.353	50%	0.495	S	S	.	.			trans	-92	119.5	177.6	178.9	6.1	0	0	0	110.9	S245 T246 Y247	N243-S245 VanDerWaalsContact C-N 3.26Å; N243-S245 PolarHBondContact ND2-OG 2.61Å; N243-S245 PolarHBondContact O-N 2.93Å; N243-S245 PolarHBondContact OD1-N 3.03Å; N243-S245 VanDerWaalsContact OD1-N 3.12Å; N243-S245 PolarHBondContact OD1-OG 3.45Å; N243-T246 PolarHBondContact ND2-OG1 2.83Å; N243-T246 PolarHBondContact O-N 2.8Å; N243-T246 VanDerWaalsContact O-N 3.12Å; N243-Y247 PolarHBondContact O-N 3.09Å; N243-Y247 VanDerWaalsContact O-N 3.1Å
244	P	51.6	Low	45.8	Very low	103 Å²	103	73 Å²	73	67%	0.669	48%	0.477	S	S	*	.	H	α-helix	trans	-53.8	-36.3	177.9	-28	35.9	0	0	0	114.4	Y247 A248	P244-Y247 PolarHBondContact O-N 2.88Å; P244-A248 WeakPolarHBondContact O-CB 3.26Å; P244-A248 PolarHBondContact O-N 2.93Å
245	S	50.5	Low	46.5	Very low	57 Å²	57	72.1 Å²	72.1	40%	0.399	46%	0.464	S	S	.	.	H	α-helix	trans	-68.4	-37.3	-179.6	72	0	0	0	0	112.1	N243 S249	N243-S245 VanDerWaalsContact C-N 3.26Å; N243-S245 PolarHBondContact ND2-OG 2.61Å; N243-S245 PolarHBondContact O-N 2.93Å; N243-S245 PolarHBondContact OD1-N 3.03Å; N243-S245 VanDerWaalsContact OD1-N 3.12Å; N243-S245 PolarHBondContact OD1-OG 3.45Å; S245-S249 WeakPolarHBondContact O-CB 3.44Å; S245-S249 PolarHBondContact O-N 3.16Å; S245-S249 PolarHBondContact O-OG 2.96Å
246	T	53.1	Low	47.2	Very low	44 Å²	44	69.6 Å²	69.6	27%	0.27	45%	0.449	S	S	.	.	H	α-helix	trans	-69.9	-40.1	176.2	-44.5	0	0	0	0	111	A240 N243 S249 M250	A240-T246 HydrophobicContact CB-CG2 4.34Å; A240-T246 WeakPolarHBondContact O-CB 3.29Å; A240-T246 WeakPolarHBondContact O-CG2 3.36Å; A240-T246 PolarHBondContact O-OG1 3.34Å; N243-T246 PolarHBondContact ND2-OG1 2.83Å; N243-T246 PolarHBondContact O-N 2.8Å; N243-T246 VanDerWaalsContact O-N 3.12Å; T246-S249 PolarHBondContact O-N 2.87Å; T246-M250 HydrophobicContact CG2-CE 4.15Å; T246-M250 WeakPolarHBondContact O-CG 3.4Å; T246-M250 PolarHBondContact O-N 3.45Å
247	Y	46.8	Very low	47.5	Very low	99 Å²	99	68.6 Å²	68.6	39%	0.388	44%	0.441	S	S	.	.	H	α-helix	trans	-61.9	-47.2	175.1	-176.8	-92.9	0	0	0	111.3	A219 N243 P244 S249 M250 V251	A219-Y247 HydrophobicContact CB-CE2 4.11Å; A219-Y247 WeakPolarHBondContact CB-OH 3.41Å; N243-Y247 PolarHBondContact O-N 3.09Å; N243-Y247 VanDerWaalsContact O-N 3.1Å; P244-Y247 PolarHBondContact O-N 2.88Å; Y247-S249 PolarHBondContact O-N 3.33Å; Y247-M250 PolarHBondContact O-N 3Å; Y247-V251 HydrophobicContact CD1-CG2 4.17Å; Y247-V251 HydrophobicContact CE1-CG2 3.83Å; Y247-V251 WeakPolarHBondContact O-CG2 3.48Å; Y247-V251 PolarHBondContact O-N 3.49Å
248	A	52.2	Low	47.9	Very low	25 Å²	25	67.9 Å²	67.9	21%	0.207	43%	0.43	C	S	.	.	H	α-helix	trans	-58.2	-44.5	174.9	0	0	0	0	0	112.1	P244 M250 V251 A252 Y741	P244-A248 WeakPolarHBondContact O-CB 3.26Å; P244-A248 PolarHBondContact O-N 2.93Å; A248-M250 PolarHBondContact O-N 3.24Å; A248-V251 PolarHBondContact O-N 3.16Å; A248-A252 WeakPolarHBondContact O-CB 3.05Å; A248-A252 PolarHBondContact O-N 3.46Å; A248-Y741 HydrophobicContact CB-CE1 4.44Å
249	S	53	Low	48.5	Very low	79 Å²	79	67.9 Å²	67.9	55%	0.552	43%	0.43	S	S	*	.	H	α-helix	trans	-62.5	-40.1	175.4	-64.9	0	0	0	0	113.2	S245 T246 Y247 A252 A253	S245-S249 WeakPolarHBondContact O-CB 3.44Å; S245-S249 PolarHBondContact O-N 3.16Å; S245-S249 PolarHBondContact O-OG 2.96Å; T246-S249 PolarHBondContact O-N 2.87Å; Y247-S249 PolarHBondContact O-N 3.33Å; S249-A252 PolarHBondContact O-N 2.9Å; S249-A253 WeakPolarHBondContact O-CB 3.19Å; S249-A253 PolarHBondContact O-N 2.95Å
250	M	48.2	Very low	48.6	Very low	86 Å²	86	69.4 Å²	69.4	42%	0.424	43%	0.433	S	S	.	.	H	α-helix	trans	-68	-38.7	176	-73.7	-174.1	-65.8	0	0	112.3	L241 T246 Y247 A248 A253 A254	L241-M250 HydrophobicContact CD2-CE 3.81Å; T246-M250 HydrophobicContact CG2-CE 4.15Å; T246-M250 WeakPolarHBondContact O-CG 3.4Å; T246-M250 PolarHBondContact O-N 3.45Å; Y247-M250 PolarHBondContact O-N 3Å; A248-M250 PolarHBondContact O-N 3.24Å; M250-A253 PolarHBondContact O-N 2.98Å; M250-A254 WeakPolarHBondContact O-CB 3.32Å; M250-A254 PolarHBondContact O-N 2.9Å
251	V	49.4	Very low	48.5	Very low	58 Å²	58	73.5 Å²	73.5	35%	0.352	45%	0.449	S	S	.	.	H	α-helix	trans	-66.8	-41.7	175	171.7	0	0	0	0	111.1	Y247 A248 A254 L255	Y247-V251 HydrophobicContact CD1-CG2 4.17Å; Y247-V251 HydrophobicContact CE1-CG2 3.83Å; Y247-V251 WeakPolarHBondContact O-CG2 3.48Å; Y247-V251 PolarHBondContact O-N 3.49Å; A248-V251 PolarHBondContact O-N 3.16Å; V251-A254 PolarHBondContact O-N 3.25Å; V251-L255 HydrophobicContact CG1-CD1 4.25Å; V251-L255 PolarHBondContact O-N 2.65Å
252	A	53	Low	48.2	Very low	38 Å²	38	72.1 Å²	72.1	31%	0.314	44%	0.442	S	S	.	.	H	α-helix	trans	-63	-44.6	174.8	0	0	0	0	0	112.1	A248 S249 A254 L255 A256	A248-A252 WeakPolarHBondContact O-CB 3.05Å; A248-A252 PolarHBondContact O-N 3.46Å; S249-A252 PolarHBondContact O-N 2.9Å; A252-A254 VanDerWaalsContact C-N 3.35Å; A252-A254 PolarHBondContact O-N 3.36Å; A252-L255 PolarHBondContact O-N 3.11Å; A252-A256 PolarHBondContact O-N 2.74Å
253	A	49.6	Very low	47.8	Very low	62 Å²	62	71.7 Å²	71.7	51%	0.512	44%	0.444	S	S	.	.	H	α-helix	trans	-62.6	-39.4	175.5	0	0	0	0	0	112.4	S249 M250 A256 A257	S249-A253 WeakPolarHBondContact O-CB 3.19Å; S249-A253 PolarHBondContact O-N 2.95Å; M250-A253 PolarHBondContact O-N 2.98Å; A253-A256 PolarHBondContact O-N 2.82Å; A253-A257 WeakPolarHBondContact O-CB 3.47Å; A253-A257 PolarHBondContact O-N 3.25Å
254	A	45.4	Very low	46.7	Very low	44 Å²	44	76.1 Å²	76.1	36%	0.364	47%	0.467	S	S	.	.	H	α-helix	trans	-65.3	-40.8	174.6	0	0	0	0	0	112.3	M250 V251 A252 A257 V258	M250-A254 WeakPolarHBondContact O-CB 3.32Å; M250-A254 PolarHBondContact O-N 2.9Å; V251-A254 PolarHBondContact O-N 3.25Å; A252-A254 VanDerWaalsContact C-N 3.35Å; A252-A254 PolarHBondContact O-N 3.36Å; A254-A257 PolarHBondContact O-N 3.03Å; A254-V258 WeakPolarHBondContact O-CG2 3.41Å; A254-V258 PolarHBondContact O-N 2.83Å
255	L	45.7	Very low	45.6	Very low	81 Å²	81	78 Å²	78	42%	0.424	48%	0.476	S	S	.	.	H	α-helix	trans	-63	-42.8	174.4	-100	153	0	0	0	112.4	M212 V251 A252 V258 N259	M212-L255 HydrophobicContact CE-CD2 4.2Å; V251-L255 HydrophobicContact CG1-CD1 4.25Å; V251-L255 PolarHBondContact O-N 2.65Å; A252-L255 PolarHBondContact O-N 3.11Å; L255-V258 PolarHBondContact O-N 3.1Å; L255-N259 PolarHBondContact O-N 2.99Å; L255-N259 VanDerWaalsContact O-N 3.12Å
256	A	50.1	Low	44.6	Very low	56 Å²	56	82.4 Å²	82.4	46%	0.463	49%	0.494	S	S	.	.	H	α-helix	trans	-62.1	-43.6	174.1	0	0	0	0	0	111.9	A252 A253 V258 N259 N260	A252-A256 PolarHBondContact O-N 2.74Å; A253-A256 PolarHBondContact O-N 2.82Å; A256-V258 VanDerWaalsContact C-N 3.31Å; A256-V258 PolarHBondContact O-N 2.82Å; A256-N259 PolarHBondContact O-N 2.8Å; A256-N260 PolarHBondContact O-N 2.79Å
257	A	44.6	Very low	43.4	Very low	57 Å²	57	88.1 Å²	88.1	47%	0.471	52%	0.523	S	S	.	.	H	α-helix	trans	-63.9	-32.7	176.9	0	0	0	0	0	113.2	A253 A254 N261	A253-A257 WeakPolarHBondContact O-CB 3.47Å; A253-A257 PolarHBondContact O-N 3.25Å; A254-A257 PolarHBondContact O-N 3.03Å; A257-N261 PolarHBondContact O-ND2 2.63Å
258	V	46.9	Very low	42.7	Very low	53 Å²	53	90.9 Å²	90.9	32%	0.321	54%	0.544	S	S	.	.	H	α-helix	trans	-70.6	-43.9	174.5	168.9	0	0	0	0	111.5	A211 A254 L255 A256 N260 N261	A211-V258 HydrophobicContact CB-CG1 3.84Å; A211-V258 HydrophobicContact CB-CG2 4.4Å; A254-V258 WeakPolarHBondContact O-CG2 3.41Å; A254-V258 PolarHBondContact O-N 2.83Å; L255-V258 PolarHBondContact O-N 3.1Å; A256-V258 VanDerWaalsContact C-N 3.31Å; A256-V258 PolarHBondContact O-N 2.82Å; V258-N260 PolarHBondContact O-N 2.91Å; V258-N261 PolarHBondContact O-N 3.11Å
259	N	50.5	Low	41.8	Very low	103 Å²	103	93.9 Å²	93.9	55%	0.551	56%	0.564	S	S	*	*	H	α-helix	trans	-66.1	-32.4	-176.9	-84.3	-21.5	0	0	0	114	L255 A256 N261	L255-N259 PolarHBondContact O-N 2.99Å; L255-N259 VanDerWaalsContact O-N 3.12Å; A256-N259 PolarHBondContact O-N 2.8Å; N259-N261 PolarHBondContact O-N 3.45Å
260	N	46.4	Very low	41	Very low	106 Å²	106	97.7 Å²	97.7	57%	0.567	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-66	-18.8	-179.1	-87.5	-2.9	0	0	0	114.8	A256 V258 N262	A256-N260 PolarHBondContact O-N 2.79Å; V258-N260 PolarHBondContact O-N 2.91Å; N260-N262 VanDerWaalsContact C-N 3.33Å; N260-N262 PolarHBondContact O-N 2.85Å
261	N	42.3	Very low	40.1	Very low	127 Å²	127	100.8 Å²	100.8	68%	0.679	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-82.9	-2.2	-171.6	-77.5	-60.5	0	0	0	115.3	A257 V258 N259	A257-N261 PolarHBondContact O-ND2 2.63Å; V258-N261 PolarHBondContact O-N 3.11Å; N259-N261 PolarHBondContact O-N 3.45Å
262	N	37.4	Very low	39.1	Very low	55 Å²	55	102.9 Å²	102.9	29%	0.294	61%	0.614	S	S	.	*	G	3₁₀ helix	trans	-114.1	11.7	-170.4	-72	33.7	0	0	0	114.3	E204 N260	E204-N262 WeakPolarHBondContact OE1-CB 3.38Å; E204-N262 PolarHBondContact OE1-ND2 2.8Å; E204-N262 PolarHBondContact OE2-ND2 2.89Å; N260-N262 VanDerWaalsContact C-N 3.33Å; N260-N262 PolarHBondContact O-N 2.85Å
263	S	34.8	Very low	38.2	Very low	106 Å²	106	108 Å²	108	74%	0.741	64%	0.64	S	S	*	*			trans	-107.3	41.9	-177.8	-169.6	0	0	0	0	113.8
264	L	29.1	Very low	37.1	Very low	160 Å²	160	108.1 Å²	108.1	84%	0.838	65%	0.648	S	S	*	*			trans	-138.5	84.6	179.4	-74.8	174.4	0	0	0	112.2
265	T	28.6	Very low	36.5	Very low	141 Å²	141	114.3 Å²	114.3	87%	0.865	67%	0.669	S	S	*	*			trans	-177.5	158.4	149	14.8	0	0	0	0	111
266	I	30.4	Very low	35.6	Very low	151 Å²	151	117.1 Å²	117.1	77%	0.774	69%	0.685	S	S	*	*			trans	66.6	89	176.5	-43.8	179.9	0	0	0	115
267	N	27.3	Very low	34.5	Very low	164 Å²	164	122.4 Å²	122.4	88%	0.877	70%	0.7	S	S	*	*			trans	-158	113.6	145.6	-109.3	-15.6	0	0	0	107.2
268	D	32.9	Very low	33.9	Very low	156 Å²	156	126 Å²	126	83%	0.834	72%	0.716	S	S	*	*			trans	-156.9	136.2	174.5	-126.5	-35.7	0	0	0	111.7
269	S	32.8	Very low	33.1	Very low	89 Å²	89	132.7 Å²	132.7	62%	0.622	74%	0.741	S	S	*	*			trans	23.7	125.1	169.8	51	0	0	0	0	121.5
270	N	34.9	Very low	32.2	Very low	159 Å²	159	134.7 Å²	134.7	85%	0.85	75%	0.752	S	S	*	*				-171.8	147.5	95.9	-94.7	-67.4	0	0	0	112.4
271	D	30	Very low	31.4	Very low	150 Å²	150	138.6 Å²	138.6	80%	0.802	76%	0.763	S	S	*	*			trans	-99.8	158.7	-171.3	-83.5	-63.4	0	0	0	115
272	S	29.5	Very low	30.8	Very low	103 Å²	103	138.1 Å²	138.1	72%	0.72	77%	0.765	S	S	*	*			trans	33	124.5	149.4	70.1	0	0	0	0	120.9
273	V	33.2	Very low	30.3	Very low	145 Å²	145	140.6 Å²	140.6	88%	0.879	78%	0.782	S	S	*	*				-175	136.7	111.2	145.3	0	0	0	0	107.4
274	G	26.3	Very low	30	Very low	65 Å²	65	141.2 Å²	141.2	67%	0.67	78%	0.781	S	S	*	*			trans	-106.4	154.8	178.2	0	0	0	0	0	112.7
275	Q	31.8	Very low	30	Very low	174 Å²	174	140.3 Å²	140.3	81%	0.813	78%	0.777	S	S	*	*			trans	-161.7	140.7	146.5	-114	-176.1	32	0	0	113.2
276	N	28.1	Very low	30	Very low	139 Å²	139	138.2 Å²	138.2	74%	0.743	77%	0.768	S	S	*	*			trans	64.2	138.9	146.8	-58	-18	0	0	0	121.5
277	E	27.4	Very low	30.6	Very low	168 Å²	168	137 Å²	137	79%	0.785	77%	0.769	S	S	*	*			trans	-69.8	138.9	176.6	-49.4	171.3	105.3	0	0	112.6
278	T	32.3	Very low	32	Very low	131 Å²	131	135.7 Å²	135.7	80%	0.804	76%	0.761	S	S	*	*			trans	-132.4	126.9	140.9	27.1	0	0	0	0	109.6	D280	T278-D280 PolarHBondContact O-N 2.8Å
279	K	28.5	Very low	34.2	Very low	195 Å²	195	131.6 Å²	131.6	85%	0.848	75%	0.745	S	S	*	*			trans	-79.1	93.9	176.4	-74.3	170.7	177.7	161.7	0	109.7
280	D	33	Very low	36.9	Very low	145 Å²	145	127.7 Å²	127.7	78%	0.775	72%	0.718	S	S	*	*			trans	-106.4	130	168.2	-106.2	-50.1	0	0	0	113	T278 V282	T278-D280 PolarHBondContact O-N 2.8Å; D280-V282 VanDerWaalsContact C-N 3.34Å; D280-V282 PolarHBondContact O-N 3.07Å
281	K	28.2	Very low	39.7	Very low	188 Å²	188	122.9 Å²	122.9	82%	0.817	69%	0.688	S	S	*	*			trans	-89.4	64.5	-162.8	-170.2	-172.8	172.8	-176	0	111.4	T283	K281-T283 PolarHBondContact O-N 2.88Å
282	V	29.8	Very low	42.8	Very low	117 Å²	117	115.8 Å²	115.8	71%	0.709	65%	0.65	S	S	*	*			trans	-71.7	96.7	176	-175.8	0	0	0	0	109.6	D280 T284	D280-V282 VanDerWaalsContact C-N 3.34Å; D280-V282 PolarHBondContact O-N 3.07Å; V282-T284 HydrophobicContact CG1-CG2 4.41Å; V282-T284 PolarHBondContact O-N 2.94Å
283	T	26.7	Very low	45.7	Very low	106 Å²	106	113.1 Å²	113.1	65%	0.65	63%	0.626	S	S	*	*			trans	-72.9	94.5	173.3	-53.4	0	0	0	0	108.5	K281 N285	K281-T283 PolarHBondContact O-N 2.88Å; T283-N285 PolarHBondContact O-N 2.91Å; T283-N285 VanDerWaalsContact O-N 3.11Å
284	T	28.9	Very low	48.7	Very low	119 Å²	119	107.3 Å²	107.3	73%	0.73	59%	0.589	S	S	*	*			trans	-69.7	103.4	171.3	39.5	0	0	0	0	109.1	V282 S286	V282-T284 HydrophobicContact CG1-CG2 4.41Å; V282-T284 PolarHBondContact O-N 2.94Å; T284-S286 VanDerWaalsContact C-N 3.31Å; T284-S286 PolarHBondContact O-N 2.9Å
285	N	28.4	Very low	52	Low	141 Å²	141	104.2 Å²	104.2	75%	0.754	56%	0.557	S	S	*	*			trans	-64.6	93.3	168.3	-77.4	-12.9	0	0	0	108.8	T283 T287	T283-N285 PolarHBondContact O-N 2.91Å; T283-N285 VanDerWaalsContact O-N 3.11Å; N285-T287 PolarHBondContact O-N 3Å
286	S	29.9	Very low	55	Low	97 Å²	97	96 Å²	96	68%	0.678	52%	0.519	S	S	*	.			trans	-57.7	109	161.4	42.1	0	0	0	0	107.5	T284 N288	T284-S286 VanDerWaalsContact C-N 3.31Å; T284-S286 PolarHBondContact O-N 2.9Å; S286-N288 VanDerWaalsContact C-N 3.34Å; S286-N288 PolarHBondContact O-N 3.15Å; S286-N288 PolarHBondContact O-OD1 2.96Å
287	T	43.3	Very low	58.3	Low	127 Å²	127	89.3 Å²	89.3	78%	0.779	48%	0.483	S	S	*	.			trans	-72.9	92.2	179.3	40.3	0	0	0	0	108.7	N285 S289	N285-T287 PolarHBondContact O-N 3Å; T287-S289 PolarHBondContact O-N 3.43Å
288	N	55.7	Low	61.5	Low	135 Å²	135	82 Å²	82	72%	0.722	45%	0.45	S	S	*	.			trans	-40.3	96.7	-176.6	-74.2	1.4	0	0	0	111.9	S286	S286-N288 VanDerWaalsContact C-N 3.34Å; S286-N288 PolarHBondContact O-N 3.15Å; S286-N288 PolarHBondContact O-OD1 2.96Å
289	S	78.9	Confident	64.6	Low	71 Å²	71	81.1 Å²	81.1	50%	0.497	44%	0.436	S	S	.	.			trans	-75	126.6	173.5	46.5	0	0	0	0	108.4	T287 R291	T287-S289 PolarHBondContact O-N 3.43Å; S289-R291 PolarHBondContact O-N 3.38Å
290	S	89.7	Confident	67.9	Low	7 Å²	7	72.1 Å²	72.1	5%	0.049	40%	0.398	C	S	.	.			trans	-57.5	133.5	169.4	-170	0	0	0	0	110.2	S165 I292 H293 M356	S165-S290 PolarHBondContact OG-O 3.05Å; S290-I292 PolarHBondContact O-N 3.36Å; S290-I292 WeakPolarHBondContact OG-CB 3.48Å; S290-I292 WeakPolarHBondContact OG-CG1 3.3Å; S290-I292 PolarHBondContact OG-N 3.42Å; S290-I292 VanDerWaalsContact OG-N 3.14Å; S290-H293 PolarHBondContact O-CD2 2.99Å; S290-H293 PolarHBondContact O-NE2 3.01Å; S290-M356 WeakPolarHBondContact CB-O 3.27Å; S290-M356 PolarHBondContact OG-O 3.15Å
291	R	93.4	Very high	70.8	Confident	58 Å²	58	68.3 Å²	68.3	22%	0.219	38%	0.381	C	S	.	.	S	Bend	trans	-70	-7.8	168.2	-163	-176.5	-178.2	171.2	1.5	111.7	S289 H293 C322 E324 N359 N361 E364	S289-R291 PolarHBondContact O-N 3.38Å; R291-H293 PolarHBondContact O-N 3.34Å; R291-H293 VanDerWaalsContact O-N 3.12Å; R291-C322 HydrophobicContact CG-CB 4.17Å; R291-C322 WeakPolarHBondContact O-CA 3.42Å; R291-E324 IonicContact CZ-OE1 3.62Å; R291-E324 IonicContact CZ-OE2 2.67Å; R291-E324 IonicContact NE-OE1 3.81Å; R291-E324 IonicContact NE-OE2 2.81Å; R291-E324 PolarHBondContact NE-OE2 3.37Å; R291-E324 IonicContact NH2-OE1 3.59Å; R291-E324 PolarHBondContact NH2-OE1 3.28Å; R291-E324 IonicContact NH2-OE2 3.82Å; R291-E324 PolarHBondContact NH2-OE2 3.3Å; R291-N359 VanDerWaalsContact CD-O 3.27Å; R291-N359 WeakPolarHBondContact CD-O 3.41Å; R291-N359 PolarHBondContact NH1-O 3.17Å; R291-N361 PolarHBondContact NH2-ND2 3.38Å; R291-E364 IonicContact CZ-OE1 2.71Å; R291-E364 IonicContact CZ-OE2 2.72Å; R291-E364 VanDerWaalsContact NH1-CD 3.27Å; R291-E364 IonicContact NH1-OE1 3.44Å; R291-E364 PolarHBondContact NH1-OE1 3.44Å; R291-E364 IonicContact NH1-OE2 3.22Å; R291-E364 PolarHBondContact NH1-OE2 2.95Å; R291-E364 IonicContact NH2-OE1 3.19Å; R291-E364 PolarHBondContact NH2-OE1 3.41Å; R291-E364 IonicContact NH2-OE2 3.43Å
292	I	95.1	Very high	74	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	36%	0.356	C	S	.	.			trans	-78.6	93.1	173.5	-52.8	-55.6	0	0	0	108.8	S165 L166 S290 G320 T354 M356 R358	S165-I292 WeakPolarHBondContact CA-O 3.42Å; L166-I292 HydrophobicContact CD1-CG2 3.76Å; L166-I292 HydrophobicContact CG-CG2 4.18Å; L166-I292 PolarHBondContact N-O 3.02Å; S290-I292 PolarHBondContact O-N 3.36Å; S290-I292 WeakPolarHBondContact OG-CB 3.48Å; S290-I292 WeakPolarHBondContact OG-CG1 3.3Å; S290-I292 PolarHBondContact OG-N 3.42Å; S290-I292 VanDerWaalsContact OG-N 3.14Å; I292-G320 VanDerWaalsContact CG2-CA 3.5Å; I292-T354 HydrophobicContact CG2-CG2 4.09Å; I292-M356 HydrophobicContact CB-CE 3.91Å; I292-M356 HydrophobicContact CB-SD 4.05Å; I292-M356 HydrophobicContact CG2-CE 4.2Å; I292-M356 HydrophobicContact CG2-SD 3.92Å; I292-R358 HydrophobicContact CD1-CB 4.32Å
293	H	92.2	Very high	77.2	Confident	47 Å²	47	57.1 Å²	57.1	22%	0.218	32%	0.324	C	S	.	.			trans	-104.4	-26.1	-177.5	-66.1	154.9	0	0	0	113.3	W162 S165 L166 S290 R291 L321 D323	W162-H293 WeakPolarHBondContact CB-O 3.48Å; W162-H293 VanDerWaalsContact O-O 3.06Å; S165-H293 PolarHBondContact N-CD2 3.25Å; L166-H293 WeakPolarHBondContact CD2-O 3.44Å; S290-H293 PolarHBondContact O-CD2 2.99Å; S290-H293 PolarHBondContact O-NE2 3.01Å; R291-H293 PolarHBondContact O-N 3.34Å; R291-H293 VanDerWaalsContact O-N 3.12Å; H293-L321 PolarHBondContact N-O 3.27Å; H293-L321 VanDerWaalsContact N-O 3.15Å; H293-D323 IonicContact CE1-OD1 3.42Å; H293-D323 IonicContact CG-OD1 3.82Å; H293-D323 IonicContact ND1-OD1 3.9Å; H293-D323 PolarHBondContact ND1-OD1 2.83Å
294	H	94.6	Very high	80.3	Confident	24 Å²	24	57.2 Å²	57.2	11%	0.111	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	170.7	-165.2	-51.4	-35.2	0	0	0	111.5	W162 G320 L321 D323 L326	W162-H294 PolarHBondContact N-ND1 3.11Å; W162-H294 PolarHBondContact O-CE1 3.02Å; W162-H294 PolarHBondContact O-ND1 3.18Å; H294-G320 WeakPolarHBondContact O-CA 3.38Å; H294-L321 HydrophobicContact CB-CB 4.24Å; H294-L321 PolarHBondContact N-O 3.01Å; H294-L321 VanDerWaalsContact N-O 3.17Å; H294-L321 PolarHBondContact O-N 3.41Å; H294-D323 IonicContact NE2-OD1 2.79Å; H294-L326 HydrophobicContact CB-CB 4.32Å; H294-L326 HydrophobicContact CB-CD2 4.16Å; H294-L326 WeakPolarHBondContact CD2-CD2 3.46Å
295	M	96.1	Very high	83.5	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	142.4	-177.6	-65.1	159.4	-74.4	0	0	112.4	L139 L143 H159 I160 W162 L166 L318 V319	L139-M295 HydrophobicContact CD1-CE 4.07Å; L139-M295 HydrophobicContact CD1-SD 3.98Å; L139-M295 HydrophobicContact CD2-SD 3.89Å; L139-M295 HydrophobicContact CG-SD 4.19Å; L143-M295 HydrophobicContact CD1-CE 4.41Å; L143-M295 HydrophobicContact CD1-SD 3.9Å; L143-M295 HydrophobicContact CD2-CE 4.15Å; H159-M295 CarbonylContact C-O 3.29Å; H159-M295 WeakPolarHBondContact CA-O 3.29Å; I160-M295 HydrophobicContact CB-CB 4.33Å; I160-M295 HydrophobicContact CB-CE 4.22Å; I160-M295 HydrophobicContact CG2-CE 3.96Å; I160-M295 PolarHBondContact N-O 3.08Å; I160-M295 PolarHBondContact O-N 3.09Å; W162-M295 HydrophobicContact CB-CE 3.8Å; W162-M295 HydrophobicContact CD2-CE 3.75Å; W162-M295 HydrophobicContact CE3-CE 3.88Å; W162-M295 HydrophobicContact CG-CE 3.73Å; L166-M295 HydrophobicContact CD1-CG 3.73Å; L166-M295 HydrophobicContact CD1-SD 4.35Å; L166-M295 HydrophobicContact CD2-CE 3.92Å; L166-M295 HydrophobicContact CD2-CG 3.96Å; L166-M295 HydrophobicContact CD2-SD 3.98Å; M295-L318 HydrophobicContact CB-CD2 4.04Å; M295-L318 HydrophobicContact CG-CD2 4.33Å; M295-L318 HydrophobicContact SD-CD1 4.43Å; M295-L318 HydrophobicContact SD-CD2 4Å; M295-V319 CarbonylContact C-O 3.52Å; M295-V319 WeakPolarHBondContact CA-O 3.41Å
296	L	95.7	Very high	86.7	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	147.9	162.7	174	65.2	0	0	0	108.7	V298 L318 V319 L321 V329 A338	L296-V298 HydrophobicContact CD2-CG1 4.11Å; L296-V298 HydrophobicContact CG-CG1 4.08Å; L296-L318 CarbonylContact O-C 3.58Å; L296-L318 WeakPolarHBondContact O-CA 3.42Å; L296-V319 HydrophobicContact CB-CB 4.33Å; L296-V319 PolarHBondContact N-O 3.21Å; L296-V319 PolarHBondContact O-N 2.7Å; L296-L321 HydrophobicContact CB-CD1 4.03Å; L296-L321 HydrophobicContact CB-CD2 3.99Å; L296-L321 HydrophobicContact CB-CG 4.07Å; L296-L321 HydrophobicContact CD2-CD2 4.5Å; L296-V329 HydrophobicContact CD1-CG1 4.09Å; L296-V329 HydrophobicContact CD1-CG2 4.31Å; L296-V329 HydrophobicContact CD2-CG2 4.48Å; L296-A338 HydrophobicContact CD2-CB 3.97Å
297	L	96.2	Very high	89.8	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	134.3	170.2	-73.2	160.1	0	0	0	110	L119 L154 G157 D158 I160 L316 Q317 L318	L119-L297 HydrophobicContact CD2-CD2 3.89Å; L154-L297 HydrophobicContact CB-CD1 3.97Å; L154-L297 HydrophobicContact CD1-CD1 4.14Å; L154-L297 HydrophobicContact CD2-CD1 4.13Å; L154-L297 HydrophobicContact CG-CD1 4.31Å; G157-L297 PolarHBondContact N-O 3.19Å; D158-L297 HydrophobicContact CB-CB 4.35Å; D158-L297 HydrophobicContact CB-CD1 3.77Å; D158-L297 PolarHBondContact O-N 3.04Å; I160-L297 HydrophobicContact CD1-CD1 4.07Å; I160-L297 HydrophobicContact CD1-CG 4.49Å; I160-L297 HydrophobicContact CG1-CD1 4.48Å; L297-L316 HydrophobicContact CD2-CB 4.09Å; L297-Q317 WeakPolarHBondContact CA-O 3.27Å; L297-L318 HydrophobicContact CD2-CD2 3.56Å; L297-L318 HydrophobicContact CD2-CG 4.18Å; L297-L318 HydrophobicContact CG-CD2 4.19Å
298	V	96.2	Very high	92.2	Very high	14 Å²	14	45.5 Å²	45.5	9%	0.085	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	164.5	174.4	-56.8	0	0	0	0	109.3	L296 L316 Q317 V319 A338 L352	L296-V298 HydrophobicContact CD2-CG1 4.11Å; L296-V298 HydrophobicContact CG-CG1 4.08Å; V298-L316 CarbonylContact O-C 3.47Å; V298-L316 VanDerWaalsContact O-CA 3.31Å; V298-L316 WeakPolarHBondContact O-CA 3.38Å; V298-Q317 HydrophobicContact CG2-CB 3.82Å; V298-Q317 HydrophobicContact CG2-CG 4.22Å; V298-Q317 PolarHBondContact N-O 3.4Å; V298-Q317 PolarHBondContact O-N 2.74Å; V298-V319 HydrophobicContact CG1-CG2 4.27Å; V298-V319 HydrophobicContact CG2-CG2 3.82Å; V298-A338 HydrophobicContact CG1-CB 3.59Å; V298-L352 HydrophobicContact CG1-CD1 4.23Å; V298-L352 HydrophobicContact CG2-CD1 4.1Å
299	E	96.5	Very high	94	Very high	112 Å²	112	42.7 Å²	42.7	52%	0.523	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	140	166.7	-60.5	-156.4	125.6	0	0	109.6	A156 P301 Q314	A156-E299 HydrophobicContact CB-CG 3.67Å; E299-P301 WeakPolarHBondContact O-CD 3.31Å; E299-Q314 PolarHBondContact OE1-NE2 3.34Å
300	D	97.4	Very high	94.7	Very high	7 Å²	7	40.8 Å²	40.8	4%	0.037	22%	0.215	C	C	.	.			trans	-65.4	120.4	178.9	-172	-59	0	0	0	110	H87 T120 R122 Q302 L303 F315 Q317	H87-D300 IonicContact CD2-OD2 3.18Å; H87-D300 IonicContact CE1-OD1 3.49Å; H87-D300 IonicContact CE1-OD2 3.91Å; H87-D300 PolarHBondContact CE1-OD2 2.85Å; H87-D300 IonicContact NE2-OD1 2.76Å; H87-D300 PolarHBondContact NE2-OD1 2.75Å; H87-D300 IonicContact NE2-OD2 3.46Å; H87-D300 PolarHBondContact NE2-OD2 2.89Å; T120-D300 VanDerWaalsContact CB-OD2 3.29Å; T120-D300 WeakPolarHBondContact CB-OD2 3.4Å; T120-D300 HydrophobicContact CG2-CB 4.43Å; T120-D300 WeakPolarHBondContact CG2-OD2 3.32Å; T120-D300 PolarHBondContact OG1-OD2 3.36Å; R122-D300 IonicContact CZ-OD1 3.96Å; R122-D300 IonicContact NE-OD2 3.85Å; R122-D300 IonicContact NH2-OD1 1.82Å; R122-D300 PolarHBondContact NH2-OD1 3.17Å; R122-D300 IonicContact NH2-OD2 2.75Å; R122-D300 PolarHBondContact NH2-OD2 2.99Å; D300-Q302 PolarHBondContact O-N 3Å; D300-Q302 PolarHBondContact OD1-N 3.49Å; D300-L303 HydrophobicContact CB-CB 4.11Å; D300-L303 PolarHBondContact O-N 2.81Å; D300-L303 PolarHBondContact OD1-N 2.9Å; D300-F315 HydrophobicContact CB-CB 3.82Å; D300-F315 PolarHBondContact N-O 3.4Å; D300-Q317 HydrophobicContact CB-CB 4.26Å
301	P	94.6	Very high	94.9	Very high	64 Å²	64	40.4 Å²	40.4	42%	0.416	21%	0.213	S	C	.	.	S	Bend	trans	-69.9	0.7	-172.9	27.5	-34.5	0	0	0	114.4	E299 L351	E299-P301 WeakPolarHBondContact O-CD 3.31Å; P301-L351 HydrophobicContact CB-CD2 4.01Å; P301-L351 HydrophobicContact CG-CD2 3.66Å
302	Q	95.4	Very high	94.9	Very high	62 Å²	62	40.5 Å²	40.5	29%	0.29	21%	0.213	S	C	.	.	S	Bend	trans	-128.5	-26.3	174.3	-52.9	-171.6	-63.4	0	0	113.9	L42 N74 R122 D300 L351	L42-Q302 HydrophobicContact CD1-CB 3.94Å; L42-Q302 HydrophobicContact CD1-CG 4.45Å; L42-Q302 HydrophobicContact CD2-CB 3.71Å; N74-Q302 PolarHBondContact ND2-OE1 2.95Å; R122-Q302 VanDerWaalsContact NH2-OE1 3.07Å; D300-Q302 PolarHBondContact O-N 3Å; D300-Q302 PolarHBondContact OD1-N 3.49Å; Q302-L351 HydrophobicContact CG-CD2 3.74Å
303	L	96.3	Very high	95	Very high	8 Å²	8	40.6 Å²	40.6	4%	0.042	21%	0.214	C	C	.	.	S	Bend	trans	-100.3	92.8	177.1	-66.8	-179.9	0	0	0	110.9	A38 L42 H87 V89 T120 D300 F315	A38-L303 HydrophobicContact CB-CD2 4.47Å; L42-L303 HydrophobicContact CB-CD2 4.43Å; L42-L303 HydrophobicContact CD2-CD2 3.89Å; L42-L303 HydrophobicContact CD2-CG 4.1Å; H87-L303 WeakPolarHBondContact CE1-CD1 3.37Å; H87-L303 WeakPolarHBondContact CE1-CG 3.36Å; V89-L303 HydrophobicContact CG1-CD1 4.31Å; V89-L303 HydrophobicContact CG2-CD1 3.78Å; T120-L303 HydrophobicContact CG2-CD1 4.21Å; D300-L303 HydrophobicContact CB-CB 4.11Å; D300-L303 PolarHBondContact O-N 2.81Å; D300-L303 PolarHBondContact OD1-N 2.9Å; L303-F315 HydrophobicContact CB-CB 3.9Å; L303-F315 HydrophobicContact CB-CD1 4.3Å; L303-F315 HydrophobicContact CB-CD2 3.63Å; L303-F315 HydrophobicContact CB-CE2 4.2Å; L303-F315 HydrophobicContact CB-CG 3.67Å; L303-F315 HydrophobicContact CD1-CD1 4.07Å; L303-F315 HydrophobicContact CD1-CE1 4.31Å; L303-F315 HydrophobicContact CD1-CG 4.28Å; L303-F315 WeakPolarHBondContact O-CB 3.49Å; L303-F315 WeakPolarHBondContact O-CD2 3.45Å
304	T	91.2	Very high	95.2	Very high	109 Å²	109	40.3 Å²	40.3	67%	0.669	21%	0.212	S	C	*	.			trans	-71	162.3	177.4	56.3	0	0	0	0	112.9	I306 F315	T304-I306 PolarHBondContact O-N 3.38Å; T304-F315 WeakPolarHBondContact O-CD2 2.9Å
305	K	96	Very high	95.4	Very high	102 Å²	102	39.3 Å²	39.3	44%	0.443	21%	0.208	S	C	.	.			trans	-53	123.7	174.7	-177.9	168.2	-171.9	146.8	0	111.9	Y312 V313 Q314	K305-Y312 HydrophobicContact CD-CD2 4.48Å; K305-Y312 VanDerWaalsContact NZ-CD2 3.28Å; K305-Y312 VanDerWaalsContact NZ-CE2 3.28Å; K305-V313 WeakPolarHBondContact CA-O 3.33Å; K305-Q314 HydrophobicContact CB-CG 3.84Å; K305-Q314 HydrophobicContact CD-CG 3.63Å; K305-Q314 HydrophobicContact CG-CG 3.69Å
306	I	96.7	Very high	95.5	Very high	30 Å²	30	39.6 Å²	39.6	15%	0.154	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	155.4	176.5	62.1	173.3	0	0	0	112.1	A34 I35 A38 T304 Y312 V313 F315	A34-I306 HydrophobicContact CB-CD1 4.26Å; I35-I306 HydrophobicContact CG1-CD1 3.97Å; A38-I306 HydrophobicContact CB-CG2 4.11Å; T304-I306 PolarHBondContact O-N 3.38Å; I306-Y312 CarbonylContact O-C 3.56Å; I306-Y312 VanDerWaalsContact O-CA 3.31Å; I306-Y312 WeakPolarHBondContact O-CA 3.41Å; I306-V313 HydrophobicContact CD1-CB 4.45Å; I306-V313 HydrophobicContact CG1-CB 3.93Å; I306-V313 PolarHBondContact N-O 3.47Å; I306-V313 PolarHBondContact O-N 3.29Å; I306-F315 HydrophobicContact CD1-CE2 4.09Å; I306-F315 HydrophobicContact CD1-CZ 3.95Å; I306-F315 HydrophobicContact CG1-CE2 4.02Å; I306-F315 HydrophobicContact CG1-CZ 4.34Å; I306-F315 HydrophobicContact CG2-CE2 4.32Å
307	T	95.3	Very high	95.6	Very high	101 Å²	101	39.6 Å²	39.6	62%	0.62	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.9	133.5	170.8	-54.2	0	0	0	0	110.1
308	T	94.2	Very high	95.7	Very high	4 Å²	4	39.6 Å²	39.6	3%	0.025	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	165.3	172.8	80.9	0	0	0	0	110	A34 Y310 G311 V313	A34-T308 HydrophobicContact CB-CG2 3.96Å; T308-Y310 PolarHBondContact O-N 3.17Å; T308-Y310 PolarHBondContact OG1-N 3.36Å; T308-G311 WeakPolarHBondContact CA-O 3.25Å; T308-G311 WeakPolarHBondContact CB-O 3.42Å; T308-G311 PolarHBondContact N-O 3.03Å; T308-G311 PolarHBondContact O-N 2.78Å; T308-G311 PolarHBondContact OG1-N 2.85Å; T308-G311 PolarHBondContact OG1-O 2.98Å; T308-V313 HydrophobicContact CG2-CG2 3.86Å
309	P	92.1	Very high	95.8	Very high	76 Å²	76	39 Å²	39	49%	0.494	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-7.5	173	-24.6	36.7	0	0	0	115.1	L30	L30-P309 HydrophobicContact CB-CG 3.95Å; L30-P309 HydrophobicContact CD1-CB 4.42Å; L30-P309 HydrophobicContact CD1-CG 4.04Å
310	Y	93.1	Very high	95.8	Very high	31 Å²	31	33.7 Å²	33.7	12%	0.122	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	9.9	-176.8	-41.1	-48.8	0	0	0	112.6	L30 D95 Y97 G98 C106 S113 T308	L30-Y310 HydrophobicContact CB-CE2 4.11Å; L30-Y310 WeakPolarHBondContact CB-OH 3.41Å; L30-Y310 WeakPolarHBondContact CG-OH 3.37Å; D95-Y310 HydrophobicContact CB-CD2 4.44Å; D95-Y310 WeakPolarHBondContact O-CD2 3.48Å; Y97-Y310 PolarHBondContact O-OH 3.33Å; Y97-Y310 VanDerWaalsContact O-OH 3.13Å; G98-Y310 VanDerWaalsContact CA-CE1 3.48Å; C106-Y310 WeakPolarHBondContact CB-O 3.24Å; S113-Y310 WeakPolarHBondContact CA-O 3.37Å; T308-Y310 PolarHBondContact O-N 3.17Å; T308-Y310 PolarHBondContact OG1-N 3.36Å
311	G	93.7	Very high	95.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	121.1	-179.9	-174.6	0	0	0	0	0	113.1	G111 T308	G111-G311 CarbonylContact O-C 3.55Å; G111-G311 WeakPolarHBondContact O-CA 3.47Å; T308-G311 WeakPolarHBondContact CA-O 3.25Å; T308-G311 WeakPolarHBondContact CB-O 3.42Å; T308-G311 PolarHBondContact N-O 3.03Å; T308-G311 PolarHBondContact O-N 2.78Å; T308-G311 PolarHBondContact OG1-N 2.85Å; T308-G311 PolarHBondContact OG1-O 2.98Å
312	Y	95.1	Very high	95.7	Very high	60 Å²	60	30.3 Å²	30.3	24%	0.235	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	158.5	176.5	68.2	-106.8	0	0	0	113.5	D110 G111 P112 S113 K305 I306	D110-Y312 WeakPolarHBondContact O-CD1 3.19Å; D110-Y312 WeakPolarHBondContact O-CE1 3.37Å; G111-Y312 VanDerWaalsContact C-CD1 3.49Å; G111-Y312 VanDerWaalsContact C-CE1 3.49Å; G111-Y312 WeakPolarHBondContact O-CD1 3.32Å; G111-Y312 PolarHBondContact O-N 3.46Å; P112-Y312 HydrophobicContact CB-CE1 4.35Å; P112-Y312 HydrophobicContact CB-CE2 4.14Å; S113-Y312 WeakPolarHBondContact CB-O 3.41Å; S113-Y312 PolarHBondContact N-O 2.94Å; K305-Y312 HydrophobicContact CD-CD2 4.48Å; K305-Y312 VanDerWaalsContact NZ-CD2 3.28Å; K305-Y312 VanDerWaalsContact NZ-CE2 3.28Å; I306-Y312 CarbonylContact O-C 3.56Å; I306-Y312 VanDerWaalsContact O-CA 3.31Å; I306-Y312 WeakPolarHBondContact O-CA 3.41Å
313	V	96.7	Very high	95.5	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	119.6	169.8	-179.6	0	0	0	0	109	S94 G116 E118 K305 I306 T308 F315	S94-V313 VanDerWaalsContact CB-CG2 3.49Å; G116-V313 CarbonylContact O-C 3.58Å; G116-V313 WeakPolarHBondContact O-CA 3.34Å; E118-V313 HydrophobicContact CB-CG1 4.37Å; E118-V313 HydrophobicContact CG-CG1 3.97Å; K305-V313 WeakPolarHBondContact CA-O 3.33Å; I306-V313 HydrophobicContact CD1-CB 4.45Å; I306-V313 HydrophobicContact CG1-CB 3.93Å; I306-V313 PolarHBondContact N-O 3.47Å; I306-V313 PolarHBondContact O-N 3.29Å; T308-V313 HydrophobicContact CG2-CG2 3.86Å; V313-F315 HydrophobicContact CG1-CZ 4.42Å
314	Q	96.7	Very high	95.3	Very high	41 Å²	41	31.8 Å²	31.8	19%	0.192	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	161.5	164.7	-81.7	165.2	-96.5	0	0	110.7	G116 F117 E118 E299 K305	G116-Q314 PolarHBondContact O-N 2.64Å; F117-Q314 CarbonylContact C-O 3.56Å; F117-Q314 WeakPolarHBondContact CA-O 3.3Å; F117-Q314 HydrophobicContact CB-CB 4.34Å; F117-Q314 WeakPolarHBondContact CB-O 3.4Å; E118-Q314 PolarHBondContact N-O 3.03Å; E299-Q314 PolarHBondContact OE1-NE2 3.34Å; K305-Q314 HydrophobicContact CB-CG 3.84Å; K305-Q314 HydrophobicContact CD-CG 3.63Å; K305-Q314 HydrophobicContact CG-CG 3.69Å
315	F	98.3	Very high	95.4	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.018	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	117.9	173.9	-64.5	-85.3	0	0	0	108.7	I35 V89 E118 T120 D300 L303 T304 I306 V313	I35-F315 HydrophobicContact CG1-CZ 4.39Å; I35-F315 HydrophobicContact CG2-CE1 4.14Å; I35-F315 HydrophobicContact CG2-CZ 4.25Å; V89-F315 HydrophobicContact CG1-CD1 4.31Å; V89-F315 HydrophobicContact CG1-CE1 4.04Å; E118-F315 HydrophobicContact CB-CD1 4.12Å; E118-F315 HydrophobicContact CB-CE1 4.2Å; E118-F315 WeakPolarHBondContact O-CA 3.18Å; T120-F315 HydrophobicContact CG2-CB 3.95Å; T120-F315 HydrophobicContact CG2-CD1 3.94Å; T120-F315 HydrophobicContact CG2-CG 4.38Å; D300-F315 HydrophobicContact CB-CB 3.82Å; D300-F315 PolarHBondContact N-O 3.4Å; L303-F315 HydrophobicContact CB-CB 3.9Å; L303-F315 HydrophobicContact CB-CD1 4.3Å; L303-F315 HydrophobicContact CB-CD2 3.63Å; L303-F315 HydrophobicContact CB-CE2 4.2Å; L303-F315 HydrophobicContact CB-CG 3.67Å; L303-F315 HydrophobicContact CD1-CD1 4.07Å; L303-F315 HydrophobicContact CD1-CE1 4.31Å; L303-F315 HydrophobicContact CD1-CG 4.28Å; L303-F315 WeakPolarHBondContact O-CB 3.49Å; L303-F315 WeakPolarHBondContact O-CD2 3.45Å; T304-F315 WeakPolarHBondContact O-CD2 2.9Å; I306-F315 HydrophobicContact CD1-CE2 4.09Å; I306-F315 HydrophobicContact CD1-CZ 3.95Å; I306-F315 HydrophobicContact CG1-CE2 4.02Å; I306-F315 HydrophobicContact CG1-CZ 4.34Å; I306-F315 HydrophobicContact CG2-CE2 4.32Å; V313-F315 HydrophobicContact CG1-CZ 4.42Å
316	L	97.6	Very high	95.2	Very high	5 Å²	5	22.2 Å²	22.2	3%	0.026	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	110	-179.3	-62.8	179.9	0	0	0	109.7	F117 E118 L119 T120 L154 A156 L297 V298	F117-L316 HydrophobicContact CB-CD1 4.11Å; F117-L316 HydrophobicContact CB-CG 4.19Å; F117-L316 HydrophobicContact CD1-CD1 4.33Å; F117-L316 HydrophobicContact CD2-CD1 3.88Å; F117-L316 HydrophobicContact CD2-CG 4.41Å; F117-L316 HydrophobicContact CE2-CD1 4.4Å; F117-L316 HydrophobicContact CG-CD1 3.85Å; F117-L316 HydrophobicContact CG-CG 4.4Å; E118-L316 PolarHBondContact O-N 3.03Å; L119-L316 CarbonylContact C-O 3.59Å; L119-L316 WeakPolarHBondContact CA-O 3.33Å; L119-L316 HydrophobicContact CD2-CB 4.38Å; T120-L316 PolarHBondContact N-O 3.38Å; L154-L316 HydrophobicContact CB-CD1 4.15Å; L154-L316 VanDerWaalsContact O-CD1 3.29Å; L154-L316 WeakPolarHBondContact O-CD1 3.5Å; A156-L316 HydrophobicContact CB-CD2 4.28Å; L297-L316 HydrophobicContact CD2-CB 4.09Å; V298-L316 CarbonylContact O-C 3.47Å; V298-L316 VanDerWaalsContact O-CA 3.31Å; V298-L316 WeakPolarHBondContact O-CA 3.38Å
317	Q	98.2	Very high	94.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	131.5	178.4	175.3	169.9	-43.3	0	0	111.1	T120 L297 V298 D300 V319 L351 L352	T120-Q317 WeakPolarHBondContact O-CA 3.48Å; T120-Q317 VanDerWaalsContact OG1-CA 3.25Å; T120-Q317 WeakPolarHBondContact OG1-CA 3.38Å; T120-Q317 VanDerWaalsContact OG1-CB 3.3Å; T120-Q317 WeakPolarHBondContact OG1-CB 3.42Å; L297-Q317 WeakPolarHBondContact CA-O 3.27Å; V298-Q317 HydrophobicContact CG2-CB 3.82Å; V298-Q317 HydrophobicContact CG2-CG 4.22Å; V298-Q317 PolarHBondContact N-O 3.4Å; V298-Q317 PolarHBondContact O-N 2.74Å; D300-Q317 HydrophobicContact CB-CB 4.26Å; Q317-V319 HydrophobicContact CG-CG2 4.35Å; Q317-L351 PolarHBondContact NE2-O 2.93Å; Q317-L352 PolarHBondContact NE2-O 3.21Å
318	L	98	Very high	94.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	138.6	166.4	-66.1	162.8	0	0	0	110.7	T120 F121 L140 L143 I160 M295 L296 L297	T120-L318 PolarHBondContact O-N 3.3Å; F121-L318 HydrophobicContact CB-CB 4.46Å; F121-L318 HydrophobicContact CD2-CB 3.64Å; F121-L318 WeakPolarHBondContact CD2-O 3.32Å; F121-L318 HydrophobicContact CE2-CB 4.18Å; F121-L318 HydrophobicContact CG-CB 4.31Å; L140-L318 HydrophobicContact CD2-CD1 3.65Å; L143-L318 HydrophobicContact CD1-CD1 3.49Å; L143-L318 VanDerWaalsContact CD1-CD1 3.49Å; L143-L318 HydrophobicContact CD1-CD2 3.82Å; L143-L318 HydrophobicContact CD1-CG 4.31Å; I160-L318 HydrophobicContact CD1-CD2 4.37Å; M295-L318 HydrophobicContact CB-CD2 4.04Å; M295-L318 HydrophobicContact CG-CD2 4.33Å; M295-L318 HydrophobicContact SD-CD1 4.43Å; M295-L318 HydrophobicContact SD-CD2 4Å; L296-L318 CarbonylContact O-C 3.58Å; L296-L318 WeakPolarHBondContact O-CA 3.42Å; L297-L318 HydrophobicContact CD2-CD2 3.56Å; L297-L318 HydrophobicContact CD2-CG 4.18Å; L297-L318 HydrophobicContact CG-CD2 4.19Å
319	V	97.9	Very high	94.1	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.006	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	125	175.7	-176.7	0	0	0	0	108.9	M295 L296 V298 Q317 M341 L352	M295-V319 CarbonylContact C-O 3.52Å; M295-V319 WeakPolarHBondContact CA-O 3.41Å; L296-V319 HydrophobicContact CB-CB 4.33Å; L296-V319 PolarHBondContact N-O 3.21Å; L296-V319 PolarHBondContact O-N 2.7Å; V298-V319 HydrophobicContact CG1-CG2 4.27Å; V298-V319 HydrophobicContact CG2-CG2 3.82Å; Q317-V319 HydrophobicContact CG-CG2 4.35Å; V319-M341 HydrophobicContact CG1-CE 3.91Å; V319-M341 HydrophobicContact CG1-SD 4.48Å; V319-L352 HydrophobicContact CG1-CB 4.21Å; V319-L352 HydrophobicContact CG2-CB 3.74Å; V319-L352 HydrophobicContact CG2-CD1 4.25Å
320	G	96.9	Very high	93.6	Very high	2 Å²	2	22.6 Å²	22.6	2%	0.021	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	124.6	-175.4	0	0	0	0	0	114	I292 H294 T354 R358	I292-G320 VanDerWaalsContact CG2-CA 3.5Å; H294-G320 WeakPolarHBondContact O-CA 3.38Å; G320-T354 PolarHBondContact N-OG1 2.94Å; G320-R358 PolarHBondContact O-NH2 3.18Å
321	L	96	Very high	93.2	Very high	0 Å²	0	26 Å²	26	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	152.4	-179.2	-52.6	-174.4	0	0	0	113	H293 H294 L296 E325 L326 V329 M341	H293-L321 PolarHBondContact N-O 3.27Å; H293-L321 VanDerWaalsContact N-O 3.15Å; H294-L321 HydrophobicContact CB-CB 4.24Å; H294-L321 PolarHBondContact N-O 3.01Å; H294-L321 VanDerWaalsContact N-O 3.17Å; H294-L321 PolarHBondContact O-N 3.41Å; L296-L321 HydrophobicContact CB-CD1 4.03Å; L296-L321 HydrophobicContact CB-CD2 3.99Å; L296-L321 HydrophobicContact CB-CG 4.07Å; L296-L321 HydrophobicContact CD2-CD2 4.5Å; L321-E325 HydrophobicContact CB-CB 4.01Å; L321-E325 HydrophobicContact CD2-CB 4.22Å; L321-E325 HydrophobicContact CG-CB 4.48Å; L321-L326 HydrophobicContact CD1-CB 4.28Å; L321-L326 HydrophobicContact CD1-CD1 4.45Å; L321-V329 HydrophobicContact CD1-CG2 3.93Å; L321-M341 HydrophobicContact CD2-CE 4.11Å; L321-M341 HydrophobicContact CD2-SD 3.64Å
322	C	94.5	Very high	92.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	11%	0.113	C	C	.	.			trans	-80.8	164.4	158.9	-64.4	0	0	0	0	112.2	R291 E324 E325 L326 N361	R291-C322 HydrophobicContact CG-CB 4.17Å; R291-C322 WeakPolarHBondContact O-CA 3.42Å; C322-E324 WeakPolarHBondContact CB-OE2 3.5Å; C322-E324 PolarHBondContact O-N 2.88Å; C322-E325 PolarHBondContact N-OE2 2.88Å; C322-E325 PolarHBondContact O-N 2.88Å; C322-E325 VanDerWaalsContact O-N 3.09Å; C322-L326 PolarHBondContact O-N 2.9Å; C322-N361 HydrophobicContact CB-CB 4.21Å
323	D	90.9	Very high	92.1	Very high	51 Å²	51	24 Å²	24	27%	0.273	11%	0.106	S	C	.	.	H	α-helix	trans	-50.9	-40.3	175.6	-63.7	34.7	0	0	0	112.9	H293 H294 R327	H293-D323 IonicContact CE1-OD1 3.42Å; H293-D323 IonicContact CG-OD1 3.82Å; H293-D323 IonicContact ND1-OD1 3.9Å; H293-D323 PolarHBondContact ND1-OD1 2.83Å; H294-D323 IonicContact NE2-OD1 2.79Å; D323-R327 WeakPolarHBondContact O-CG 3.42Å; D323-R327 PolarHBondContact O-N 2.86Å
324	E	91.8	Very high	91.7	Very high	49 Å²	49	24.2 Å²	24.2	23%	0.229	11%	0.108	C	C	.	.	H	α-helix	trans	-74.2	-30.9	-179.6	-54.4	83.1	-176.2	0	0	113	R291 C322 R327 L328 N361 F363	R291-E324 IonicContact CZ-OE1 3.62Å; R291-E324 IonicContact CZ-OE2 2.67Å; R291-E324 IonicContact NE-OE1 3.81Å; R291-E324 IonicContact NE-OE2 2.81Å; R291-E324 PolarHBondContact NE-OE2 3.37Å; R291-E324 IonicContact NH2-OE1 3.59Å; R291-E324 PolarHBondContact NH2-OE1 3.28Å; R291-E324 IonicContact NH2-OE2 3.82Å; R291-E324 PolarHBondContact NH2-OE2 3.3Å; C322-E324 WeakPolarHBondContact CB-OE2 3.5Å; C322-E324 PolarHBondContact O-N 2.88Å; E324-R327 PolarHBondContact O-N 2.84Å; E324-L328 PolarHBondContact O-N 3.18Å; E324-N361 WeakPolarHBondContact CG-ND2 3.42Å; E324-N361 PolarHBondContact OE2-ND2 3.04Å; E324-F363 HydrophobicContact CB-CD2 4.31Å; E324-F363 HydrophobicContact CB-CE2 4.32Å
325	E	94.1	Very high	91.2	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-75.5	-37.5	177.2	-73.7	156.2	-178.6	0	0	111.1	L321 C322 R327 L328 V329 R358 N361 I362	L321-E325 HydrophobicContact CB-CB 4.01Å; L321-E325 HydrophobicContact CD2-CB 4.22Å; L321-E325 HydrophobicContact CG-CB 4.48Å; C322-E325 PolarHBondContact N-OE2 2.88Å; C322-E325 PolarHBondContact O-N 2.88Å; C322-E325 VanDerWaalsContact O-N 3.09Å; E325-R327 VanDerWaalsContact C-N 3.29Å; E325-R327 PolarHBondContact O-N 3.43Å; E325-L328 PolarHBondContact O-N 2.93Å; E325-L328 VanDerWaalsContact O-N 3.15Å; E325-V329 WeakPolarHBondContact O-CG2 3.45Å; E325-V329 PolarHBondContact O-N 3.21Å; E325-R358 IonicContact OE1-CZ 2.83Å; E325-R358 IonicContact OE1-NH1 2.66Å; E325-R358 PolarHBondContact OE1-NH1 3.35Å; E325-R358 IonicContact OE1-NH2 3.72Å; E325-R358 IonicContact OE2-CZ 3.71Å; E325-R358 IonicContact OE2-NH1 3.76Å; E325-R358 PolarHBondContact OE2-NH1 3.29Å; E325-R358 IonicContact OE2-NH2 3.72Å; E325-R358 PolarHBondContact OE2-NH2 3.28Å; E325-N361 HydrophobicContact CG-CB 4.29Å; E325-N361 WeakPolarHBondContact OE1-CA 3.41Å; E325-N361 WeakPolarHBondContact OE1-CB 3.44Å; E325-I362 HydrophobicContact CG-CD1 3.93Å; E325-I362 HydrophobicContact CG-CG1 3.79Å; E325-I362 HydrophobicContact CG-CG2 4.44Å; E325-I362 PolarHBondContact OE1-N 3.03Å
326	L	90.8	Very high	90.8	Very high	11 Å²	11	27.4 Å²	27.4	6%	0.058	13%	0.129	C	C	.	.	H	α-helix	trans	-58.5	-43.9	169.3	177.9	66.5	0	0	0	110.8	H159 P161 H294 L321 C322 L328 V329 Q330	H159-L326 HydrophobicContact CB-CD1 3.85Å; H159-L326 VanDerWaalsContact CD2-CD1 3.47Å; H159-L326 WeakPolarHBondContact CD2-CD1 3.44Å; P161-L326 HydrophobicContact CB-CD2 3.92Å; P161-L326 HydrophobicContact CG-CD1 4.45Å; P161-L326 HydrophobicContact CG-CD2 4.12Å; H294-L326 HydrophobicContact CB-CB 4.32Å; H294-L326 HydrophobicContact CB-CD2 4.16Å; H294-L326 WeakPolarHBondContact CD2-CD2 3.46Å; L321-L326 HydrophobicContact CD1-CB 4.28Å; L321-L326 HydrophobicContact CD1-CD1 4.45Å; C322-L326 PolarHBondContact O-N 2.9Å; L326-L328 VanDerWaalsContact C-N 3.31Å; L326-L328 PolarHBondContact O-N 3.23Å; L326-V329 PolarHBondContact O-N 3.12Å; L326-Q330 HydrophobicContact CD1-CG 4.45Å; L326-Q330 WeakPolarHBondContact O-CB 3.47Å; L326-Q330 WeakPolarHBondContact O-CG 3.46Å; L326-Q330 PolarHBondContact O-N 3.35Å
327	R	85.8	Confident	90.6	Very high	143 Å²	143	27.1 Å²	27.1	54%	0.54	13%	0.128	S	C	.	.	H	α-helix	trans	-61.3	-37.5	175	-69.5	171.8	-164.8	152.4	9.2	111.9	D323 E324 E325 R331	D323-R327 WeakPolarHBondContact O-CG 3.42Å; D323-R327 PolarHBondContact O-N 2.86Å; E324-R327 PolarHBondContact O-N 2.84Å; E325-R327 VanDerWaalsContact C-N 3.29Å; E325-R327 PolarHBondContact O-N 3.43Å; R327-R331 WeakPolarHBondContact O-CB 3.39Å; R327-R331 VanDerWaalsContact O-CG 3.24Å; R327-R331 WeakPolarHBondContact O-CG 3.4Å; R327-R331 PolarHBondContact O-N 2.89Å
328	L	89.7	Confident	90.4	Very high	8 Å²	8	27.6 Å²	27.6	4%	0.042	13%	0.132	C	C	.	.	H	α-helix	trans	-66.7	-46.4	174.3	-178.3	62.3	0	0	0	112.1	E324 E325 L326 Q330 R331 W332 V337 I362 F363 I373	E324-L328 PolarHBondContact O-N 3.18Å; E325-L328 PolarHBondContact O-N 2.93Å; E325-L328 VanDerWaalsContact O-N 3.15Å; L326-L328 VanDerWaalsContact C-N 3.31Å; L326-L328 PolarHBondContact O-N 3.23Å; L328-Q330 PolarHBondContact O-N 2.97Å; L328-R331 PolarHBondContact O-N 3.26Å; L328-W332 HydrophobicContact CD1-CB 4.45Å; L328-W332 PolarHBondContact O-N 3.41Å; L328-V337 HydrophobicContact CB-CG2 4.35Å; L328-V337 HydrophobicContact CD2-CG1 4.2Å; L328-V337 HydrophobicContact CD2-CG2 3.67Å; L328-V337 HydrophobicContact CG-CG2 3.64Å; L328-I362 HydrophobicContact CD2-CD1 3.41Å; L328-I362 VanDerWaalsContact CD2-CD1 3.41Å; L328-F363 HydrophobicContact CB-CE2 4.42Å; L328-F363 HydrophobicContact CB-CZ 4.02Å; L328-F363 HydrophobicContact CD1-CZ 4.26Å; L328-F363 HydrophobicContact CD2-CE1 4.45Å; L328-F363 HydrophobicContact CD2-CZ 3.9Å; L328-F363 HydrophobicContact CG-CZ 4.26Å; L328-I373 HydrophobicContact CD1-CD1 3.98Å; L328-I373 HydrophobicContact CD1-CG2 3.62Å; L328-I373 HydrophobicContact CD2-CD1 3.56Å; L328-I373 HydrophobicContact CG-CD1 4.44Å
329	V	88.3	Confident	90.1	Very high	6 Å²	6	33.1 Å²	33.1	4%	0.036	16%	0.158	C	C	.	.	H	α-helix	trans	-57.9	-41.1	176.5	171.1	0	0	0	0	110.9	H159 L296 L321 E325 L326 V337	H159-V329 HydrophobicContact CB-CG1 3.75Å; L296-V329 HydrophobicContact CD1-CG1 4.09Å; L296-V329 HydrophobicContact CD1-CG2 4.31Å; L296-V329 HydrophobicContact CD2-CG2 4.48Å; L321-V329 HydrophobicContact CD1-CG2 3.93Å; E325-V329 WeakPolarHBondContact O-CG2 3.45Å; E325-V329 PolarHBondContact O-N 3.21Å; L326-V329 PolarHBondContact O-N 3.12Å; V329-V337 HydrophobicContact CB-CG2 4.5Å; V329-V337 HydrophobicContact CG2-CB 3.71Å; V329-V337 HydrophobicContact CG2-CG1 3.8Å; V329-V337 HydrophobicContact CG2-CG2 3.74Å
330	Q	82.3	Confident	89.9	Confident	62 Å²	62	34.5 Å²	34.5	29%	0.29	17%	0.165	S	C	.	.	H	α-helix	trans	-65.4	-38	174.4	-78	172.3	-17	0	0	112.9	H159 L326 L328 L384	H159-Q330 VanDerWaalsContact CE1-CG 3.44Å; H159-Q330 WeakPolarHBondContact CE1-CG 3.45Å; H159-Q330 WeakPolarHBondContact NE2-CG 3.49Å; H159-Q330 PolarHBondContact NE2-NE2 2.97Å; H159-Q330 VanDerWaalsContact NE2-NE2 3.18Å; L326-Q330 HydrophobicContact CD1-CG 4.45Å; L326-Q330 WeakPolarHBondContact O-CB 3.47Å; L326-Q330 WeakPolarHBondContact O-CG 3.46Å; L326-Q330 PolarHBondContact O-N 3.35Å; L328-Q330 PolarHBondContact O-N 2.97Å; Q330-L384 WeakPolarHBondContact O-CB 3.42Å
331	R	83	Confident	89.8	Confident	102 Å²	102	34.4 Å²	34.4	39%	0.385	16%	0.164	S	C	.	.	H	α-helix	trans	-79.6	-31.7	-178.6	-73.1	-177.4	63.9	-171.1	-4.2	114	R327 L328 S382 L722	R327-R331 WeakPolarHBondContact O-CB 3.39Å; R327-R331 VanDerWaalsContact O-CG 3.24Å; R327-R331 WeakPolarHBondContact O-CG 3.4Å; R327-R331 PolarHBondContact O-N 2.89Å; L328-R331 PolarHBondContact O-N 3.26Å; R331-S382 WeakPolarHBondContact O-CB 3.49Å; R331-S382 PolarHBondContact O-OG 2.87Å; R331-L722 HydrophobicContact CB-CD1 3.82Å; R331-L722 HydrophobicContact CG-CD1 3.62Å
332	W	84	Confident	89.7	Confident	5 Å²	5	36.3 Å²	36.3	2%	0.019	18%	0.177	C	C	.	.	S	Bend	trans	-117.1	-104.4	-174.9	-173.8	30.8	0	0	0	112.1	L328 H336 V337 L340 I373 K376 L377 E380 N383	L328-W332 HydrophobicContact CD1-CB 4.45Å; L328-W332 PolarHBondContact O-N 3.41Å; W332-H336 HydrophobicContact CD2-CB 4Å; W332-H336 AromaticContact CD2-ND1 3.97Å; W332-H336 AromaticContact CE2-CG 3.93Å; W332-H336 AromaticContact CE2-ND1 3.19Å; W332-H336 HydrophobicContact CE3-CB 3.79Å; W332-H336 HydrophobicContact CH2-CB 3.43Å; W332-H336 VanDerWaalsContact CH2-CB 3.43Å; W332-H336 AromaticContact CH2-CG 4Å; W332-H336 AromaticContact CH2-ND1 3.96Å; W332-H336 HydrophobicContact CZ2-CB 3.63Å; W332-H336 AromaticContact CZ2-CG 3.69Å; W332-H336 AromaticContact CZ2-ND1 3.19Å; W332-H336 WeakPolarHBondContact CZ2-ND1 3.29Å; W332-H336 HydrophobicContact CZ3-CB 3.49Å; W332-H336 VanDerWaalsContact CZ3-CB 3.49Å; W332-H336 AromaticContact NE1-ND1 3.33Å; W332-H336 PolarHBondContact NE1-ND1 3.09Å; W332-V337 HydrophobicContact CE3-CG2 4.41Å; W332-L340 HydrophobicContact CZ3-CD1 3.8Å; W332-I373 HydrophobicContact CZ3-CG1 4.33Å; W332-K376 HydrophobicContact CH2-CB 4.3Å; W332-K376 HydrophobicContact CH2-CG 4.35Å; W332-K376 HydrophobicContact CZ2-CB 3.82Å; W332-K376 HydrophobicContact CZ2-CD 4.09Å; W332-K376 HydrophobicContact CZ2-CG 4.11Å; W332-L377 HydrophobicContact CB-CD2 3.84Å; W332-L377 HydrophobicContact CB-CG 4.35Å; W332-L377 HydrophobicContact CG-CD2 3.93Å; W332-L377 HydrophobicContact CG-CG 4.29Å; W332-E380 WeakPolarHBondContact CZ2-OE2 3.27Å; W332-E380 PolarHBondContact NE1-OE2 3.11Å; W332-E380 VanDerWaalsContact NE1-OE2 3.11Å; W332-N383 PolarHBondContact O-N 3.26Å
333	T	83.2	Confident	89.4	Confident	13 Å²	13	40.4 Å²	40.4	8%	0.08	21%	0.205	C	C	.	.			trans	-149.9	129	-177.8	-51	0	0	0	0	109.9	S335 H336 V337 N383 A682	T333-S335 VanDerWaalsContact C-N 3.3Å; T333-S335 PolarHBondContact O-N 3.1Å; T333-H336 PolarHBondContact O-N 2.72Å; T333-V337 PolarHBondContact O-N 3.21Å; T333-N383 PolarHBondContact OG1-ND2 2.94Å; T333-A682 HydrophobicContact CG2-CB 4.04Å
334	G	86.6	Confident	89.4	Confident	5 Å²	5	39.1 Å²	39.1	5%	0.052	20%	0.199	C	C	.	.	H	α-helix	trans	-54.6	-42.2	-179.9	0	0	0	0	0	114	H336 V337 A338	G334-H336 PolarHBondContact O-N 2.99Å; G334-V337 PolarHBondContact O-N 2.8Å; G334-A338 PolarHBondContact O-N 3.2Å
335	S	87.8	Confident	89.3	Confident	58 Å²	58	41.1 Å²	41.1	41%	0.406	21%	0.211	S	C	.	.	H	α-helix	trans	-61.2	-39.3	179.1	-42.6	0	0	0	0	113.6	T333 A338 E339	T333-S335 VanDerWaalsContact C-N 3.3Å; T333-S335 PolarHBondContact O-N 3.1Å; S335-A338 WeakPolarHBondContact O-CB 3.11Å; S335-A338 PolarHBondContact O-N 3Å; S335-E339 PolarHBondContact O-N 3.38Å
336	H	90.3	Very high	89.1	Confident	54 Å²	54	46.7 Å²	46.7	25%	0.25	24%	0.237	C	C	.	.	H	α-helix	trans	-74.7	-30.1	177.4	-58.6	164.2	0	0	0	112.2	W332 T333 G334 E339 L340 E380	W332-H336 HydrophobicContact CD2-CB 4Å; W332-H336 AromaticContact CD2-ND1 3.97Å; W332-H336 AromaticContact CE2-CG 3.93Å; W332-H336 AromaticContact CE2-ND1 3.19Å; W332-H336 HydrophobicContact CE3-CB 3.79Å; W332-H336 HydrophobicContact CH2-CB 3.43Å; W332-H336 VanDerWaalsContact CH2-CB 3.43Å; W332-H336 AromaticContact CH2-CG 4Å; W332-H336 AromaticContact CH2-ND1 3.96Å; W332-H336 HydrophobicContact CZ2-CB 3.63Å; W332-H336 AromaticContact CZ2-CG 3.69Å; W332-H336 AromaticContact CZ2-ND1 3.19Å; W332-H336 WeakPolarHBondContact CZ2-ND1 3.29Å; W332-H336 HydrophobicContact CZ3-CB 3.49Å; W332-H336 VanDerWaalsContact CZ3-CB 3.49Å; W332-H336 AromaticContact NE1-ND1 3.33Å; W332-H336 PolarHBondContact NE1-ND1 3.09Å; T333-H336 PolarHBondContact O-N 2.72Å; G334-H336 PolarHBondContact O-N 2.99Å; H336-E339 WeakPolarHBondContact O-CB 3.12Å; H336-E339 PolarHBondContact O-N 3.45Å; H336-L340 WeakPolarHBondContact O-CG 3.38Å; H336-L340 PolarHBondContact O-N 3.38Å; H336-E380 IonicContact CE1-OE2 3.59Å; H336-E380 PolarHBondContact CE1-OE2 3.17Å; H336-E380 IonicContact ND1-OE2 3.59Å
337	V	92.4	Very high	89.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-69.9	-37.1	171.4	-175.7	0	0	0	0	110.8	L328 V329 W332 T333 G334 L340 M341 I362	L328-V337 HydrophobicContact CB-CG2 4.35Å; L328-V337 HydrophobicContact CD2-CG1 4.2Å; L328-V337 HydrophobicContact CD2-CG2 3.67Å; L328-V337 HydrophobicContact CG-CG2 3.64Å; V329-V337 HydrophobicContact CB-CG2 4.5Å; V329-V337 HydrophobicContact CG2-CB 3.71Å; V329-V337 HydrophobicContact CG2-CG1 3.8Å; V329-V337 HydrophobicContact CG2-CG2 3.74Å; W332-V337 HydrophobicContact CE3-CG2 4.41Å; T333-V337 PolarHBondContact O-N 3.21Å; G334-V337 PolarHBondContact O-N 2.8Å; V337-L340 PolarHBondContact O-N 3.42Å; V337-M341 HydrophobicContact CG1-CG 4.4Å; V337-M341 HydrophobicContact CG1-SD 4.23Å; V337-M341 WeakPolarHBondContact O-CB 3.2Å; V337-M341 VanDerWaalsContact O-CG 3.31Å; V337-M341 WeakPolarHBondContact O-CG 3.44Å; V337-M341 PolarHBondContact O-N 3.04Å; V337-I362 HydrophobicContact CG1-CD1 4.44Å
338	A	93.7	Very high	89.4	Confident	10 Å²	10	39.8 Å²	39.8	8%	0.083	21%	0.212	C	C	.	.	H	α-helix	trans	-60.7	-43.4	170.5	0	0	0	0	0	112	L296 V298 G334 S335 M341 S342 L352	L296-A338 HydrophobicContact CD2-CB 3.97Å; V298-A338 HydrophobicContact CG1-CB 3.59Å; G334-A338 PolarHBondContact O-N 3.2Å; S335-A338 WeakPolarHBondContact O-CB 3.11Å; S335-A338 PolarHBondContact O-N 3Å; A338-M341 PolarHBondContact O-N 3.02Å; A338-S342 WeakPolarHBondContact O-CB 3.22Å; A338-S342 PolarHBondContact O-N 3.45Å; A338-L352 HydrophobicContact CB-CD1 3.98Å
339	E	92.6	Very high	89.7	Confident	116 Å²	116	39.4 Å²	39.4	54%	0.542	21%	0.21	S	C	.	.	H	α-helix	trans	-56.6	-51.4	173.8	-172.6	-179.8	-169.9	0	0	111.2	S335 H336 M341 S342 C343	S335-E339 PolarHBondContact O-N 3.38Å; H336-E339 WeakPolarHBondContact O-CB 3.12Å; H336-E339 PolarHBondContact O-N 3.45Å; E339-M341 PolarHBondContact O-N 2.82Å; E339-S342 WeakPolarHBondContact O-CB 3.17Å; E339-S342 PolarHBondContact O-N 3.27Å; E339-S342 PolarHBondContact O-OG 2.97Å; E339-C343 PolarHBondContact O-N 3.1Å; E339-C343 PolarHBondContact O-SG 3.04Å
340	L	93	Very high	90	Very high	29 Å²	29	40.3 Å²	40.3	15%	0.152	22%	0.221	C	C	.	.	H	α-helix	trans	-59.9	-41.5	176.2	-70.2	178.4	0	0	0	113.4	W332 H336 V337 S342 C343 L369 Y372 I373	W332-L340 HydrophobicContact CZ3-CD1 3.8Å; H336-L340 WeakPolarHBondContact O-CG 3.38Å; H336-L340 PolarHBondContact O-N 3.38Å; V337-L340 PolarHBondContact O-N 3.42Å; L340-S342 VanDerWaalsContact C-N 3.26Å; L340-S342 PolarHBondContact O-N 3.12Å; L340-C343 PolarHBondContact O-N 3.45Å; L340-L369 HydrophobicContact CD1-CD1 4.02Å; L340-L369 HydrophobicContact CD1-CD2 4.25Å; L340-L369 HydrophobicContact CD1-CG 4.4Å; L340-L369 HydrophobicContact CD2-CD1 3.77Å; L340-Y372 HydrophobicContact CD2-CE1 4.17Å; L340-I373 HydrophobicContact CD1-CD1 4.03Å; L340-I373 HydrophobicContact CD1-CG1 4.15Å
341	M	94.2	Very high	90.7	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-68.2	-24.8	175	-72.2	-178	73.4	0	0	112.7	V319 L321 V337 A338 E339 C343 T347 L352 I362	V319-M341 HydrophobicContact CG1-CE 3.91Å; V319-M341 HydrophobicContact CG1-SD 4.48Å; L321-M341 HydrophobicContact CD2-CE 4.11Å; L321-M341 HydrophobicContact CD2-SD 3.64Å; V337-M341 HydrophobicContact CG1-CG 4.4Å; V337-M341 HydrophobicContact CG1-SD 4.23Å; V337-M341 WeakPolarHBondContact O-CB 3.2Å; V337-M341 VanDerWaalsContact O-CG 3.31Å; V337-M341 WeakPolarHBondContact O-CG 3.44Å; V337-M341 PolarHBondContact O-N 3.04Å; A338-M341 PolarHBondContact O-N 3.02Å; E339-M341 PolarHBondContact O-N 2.82Å; M341-C343 VanDerWaalsContact C-N 3.31Å; M341-T347 HydrophobicContact CE-CG2 4.3Å; M341-T347 HydrophobicContact CG-CG2 4.2Å; M341-T347 WeakPolarHBondContact O-CB 3.47Å; M341-T347 PolarHBondContact O-OG1 3.2Å; M341-L352 HydrophobicContact CB-CD2 3.64Å; M341-I362 HydrophobicContact CG-CG2 4.04Å
342	S	93.8	Very high	91.4	Very high	39 Å²	39	33.2 Å²	33.2	27%	0.273	19%	0.192	S	C	.	.	H	α-helix	trans	-73.5	-25.9	177.9	81.7	0	0	0	0	112.5	A338 E339 L340 S344 G349 G350	A338-S342 WeakPolarHBondContact O-CB 3.22Å; A338-S342 PolarHBondContact O-N 3.45Å; E339-S342 WeakPolarHBondContact O-CB 3.17Å; E339-S342 PolarHBondContact O-N 3.27Å; E339-S342 PolarHBondContact O-OG 2.97Å; L340-S342 VanDerWaalsContact C-N 3.26Å; L340-S342 PolarHBondContact O-N 3.12Å; S342-S344 VanDerWaalsContact C-N 3.26Å; S342-S344 PolarHBondContact O-N 2.92Å; S342-G349 WeakPolarHBondContact CA-O 3.23Å; S342-G349 CarbonylContact O-C 3.47Å; S342-G349 WeakPolarHBondContact O-CA 3.44Å; S342-G350 PolarHBondContact O-N 3.49Å
343	C	90	Very high	92	Very high	87 Å²	87	33 Å²	33	59%	0.588	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-3.2	-178.7	-61.3	0	0	0	0	115.1	E339 L340 M341	E339-C343 PolarHBondContact O-N 3.1Å; E339-C343 PolarHBondContact O-SG 3.04Å; L340-C343 PolarHBondContact O-N 3.45Å; M341-C343 VanDerWaalsContact C-N 3.31Å
344	S	89.5	Confident	92.7	Very high	23 Å²	23	32.6 Å²	32.6	16%	0.161	19%	0.189	C	C	.	.			trans	-135.6	131.4	179.8	175.4	0	0	0	0	113.1	S342 E346 T347 G348 G349	S342-S344 VanDerWaalsContact C-N 3.26Å; S342-S344 PolarHBondContact O-N 2.92Å; S344-E346 PolarHBondContact O-N 3.19Å; S344-E346 PolarHBondContact OG-N 2.87Å; S344-T347 WeakPolarHBondContact CB-OG1 3.24Å; S344-T347 PolarHBondContact O-N 3.22Å; S344-T347 PolarHBondContact O-OG1 3.23Å; S344-G348 PolarHBondContact O-N 2.71Å; S344-G349 WeakPolarHBondContact O-CA 3.34Å; S344-G349 PolarHBondContact O-N 3.43Å
345	L	90.6	Very high	93.2	Very high	91 Å²	91	33.6 Å²	33.6	48%	0.476	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-54.6	-32	170.6	172.9	62.5	0	0	0	112.8	Q81 G348	Q81-L345 HydrophobicContact CB-CB 4.47Å; Q81-L345 WeakPolarHBondContact O-CD1 3.45Å; L345-G348 PolarHBondContact O-N 3.44Å
346	E	90.7	Very high	93.5	Very high	118 Å²	118	31.6 Å²	31.6	55%	0.551	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-74.1	-27.1	-177.6	-60.6	-164	156.9	0	0	112.7	S344 R358 M365	S344-E346 PolarHBondContact O-N 3.19Å; S344-E346 PolarHBondContact OG-N 2.87Å; E346-R358 WeakPolarHBondContact O-CD 3.36Å; E346-M365 HydrophobicContact CB-SD 3.57Å; E346-M365 VanDerWaalsContact CB-SD 3.57Å
347	T	92.7	Very high	93.7	Very high	6 Å²	6	35.8 Å²	35.8	4%	0.037	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-91.7	0	172	39.9	0	0	0	0	114.1	M341 S344 I362 M365	M341-T347 HydrophobicContact CE-CG2 4.3Å; M341-T347 HydrophobicContact CG-CG2 4.2Å; M341-T347 WeakPolarHBondContact O-CB 3.47Å; M341-T347 PolarHBondContact O-OG1 3.2Å; S344-T347 WeakPolarHBondContact CB-OG1 3.24Å; S344-T347 PolarHBondContact O-N 3.22Å; S344-T347 PolarHBondContact O-OG1 3.23Å; T347-I362 HydrophobicContact CG2-CG2 3.8Å; T347-M365 HydrophobicContact CG2-CE 3.52Å; T347-M365 HydrophobicContact CG2-SD 4.37Å
348	G	90.1	Very high	93.8	Very high	2 Å²	2	36.5 Å²	36.5	2%	0.021	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	116	-2.6	174.4	0	0	0	0	0	115.9	S344 L345 L352 V353	S344-G348 PolarHBondContact O-N 2.71Å; L345-G348 PolarHBondContact O-N 3.44Å; G348-L352 PolarHBondContact O-N 3.29Å; G348-V353 WeakPolarHBondContact CA-O 3.18Å; G348-V353 PolarHBondContact O-N 2.9Å; G348-V353 VanDerWaalsContact O-N 3.15Å
349	G	94.1	Very high	93.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	65.1	-164.7	179.9	0	0	0	0	0	114.1	S342 S344 L351 L352	S342-G349 WeakPolarHBondContact CA-O 3.23Å; S342-G349 CarbonylContact O-C 3.47Å; S342-G349 WeakPolarHBondContact O-CA 3.44Å; S344-G349 WeakPolarHBondContact O-CA 3.34Å; S344-G349 PolarHBondContact O-N 3.43Å; G349-L351 PolarHBondContact O-N 3.37Å; G349-L352 WeakPolarHBondContact O-CA 3.4Å; G349-L352 PolarHBondContact O-N 2.88Å
350	G	95.2	Very high	93.7	Very high	26 Å²	26	39.8 Å²	39.8	27%	0.268	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-64.4	-4.4	-179	0	0	0	0	0	116.1	L80 S342	L80-G350 WeakPolarHBondContact O-CA 3.35Å; L80-G350 PolarHBondContact O-N 3.33Å; S342-G350 PolarHBondContact O-N 3.49Å
351	L	96.7	Very high	93.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-107.1	5.5	167.7	-62.4	-176.3	0	0	0	113.2	L80 R122 P301 Q302 Q317 G349 V353	L80-L351 HydrophobicContact CB-CG 4.45Å; L80-L351 HydrophobicContact CD1-CD1 4.42Å; L80-L351 HydrophobicContact CD1-CD2 3.63Å; L80-L351 HydrophobicContact CD1-CG 3.91Å; R122-L351 VanDerWaalsContact CD-O 3.3Å; R122-L351 WeakPolarHBondContact CD-O 3.44Å; P301-L351 HydrophobicContact CB-CD2 4.01Å; P301-L351 HydrophobicContact CG-CD2 3.66Å; Q302-L351 HydrophobicContact CG-CD2 3.74Å; Q317-L351 PolarHBondContact NE2-O 2.93Å; G349-L351 PolarHBondContact O-N 3.37Å; L351-V353 VanDerWaalsContact C-N 3.28Å; L351-V353 HydrophobicContact CB-CG2 4.22Å; L351-V353 PolarHBondContact O-N 3.22Å
352	L	97.4	Very high	93.6	Very high	14 Å²	14	39 Å²	39	7%	0.073	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	46.8	176	-65.3	170	0	0	0	113.4	V298 Q317 V319 A338 M341 G348 G349 T354	V298-L352 HydrophobicContact CG1-CD1 4.23Å; V298-L352 HydrophobicContact CG2-CD1 4.1Å; Q317-L352 PolarHBondContact NE2-O 3.21Å; V319-L352 HydrophobicContact CG1-CB 4.21Å; V319-L352 HydrophobicContact CG2-CB 3.74Å; V319-L352 HydrophobicContact CG2-CD1 4.25Å; A338-L352 HydrophobicContact CB-CD1 3.98Å; M341-L352 HydrophobicContact CB-CD2 3.64Å; G348-L352 PolarHBondContact O-N 3.29Å; G349-L352 WeakPolarHBondContact O-CA 3.4Å; G349-L352 PolarHBondContact O-N 2.88Å; L352-T354 PolarHBondContact O-N 2.92Å
353	V	97.9	Very high	93.5	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	21%	0.206	C	C	.	.			trans	-69.4	120.6	-179.4	-177.1	0	0	0	0	110.8	S82 P83 H85 R122 K124 G348 L351 D355	S82-V353 WeakPolarHBondContact OG-CG2 3.44Å; P83-V353 HydrophobicContact CG-CB 3.97Å; P83-V353 HydrophobicContact CG-CG1 4.03Å; P83-V353 HydrophobicContact CG-CG2 4.21Å; H85-V353 HydrophobicContact CB-CG1 3.56Å; H85-V353 HydrophobicContact CB-CG2 4.19Å; H85-V353 WeakPolarHBondContact ND1-CG2 3.37Å; R122-V353 HydrophobicContact CB-CG1 4.47Å; R122-V353 HydrophobicContact CB-CG2 4.31Å; K124-V353 HydrophobicContact CB-CG1 3.86Å; G348-V353 WeakPolarHBondContact CA-O 3.18Å; G348-V353 PolarHBondContact O-N 2.9Å; G348-V353 VanDerWaalsContact O-N 3.15Å; L351-V353 VanDerWaalsContact C-N 3.28Å; L351-V353 HydrophobicContact CB-CG2 4.22Å; L351-V353 PolarHBondContact O-N 3.22Å; V353-D355 PolarHBondContact O-N 2.83Å
354	T	97.9	Very high	93.6	Very high	4 Å²	4	39.4 Å²	39.4	3%	0.025	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-73.6	117.8	177.4	-59.9	0	0	0	0	111	F121 R122 K124 I292 G320 L352 M356	F121-T354 HydrophobicContact CE2-CG2 4.11Å; F121-T354 WeakPolarHBondContact CE2-OG1 3.39Å; F121-T354 HydrophobicContact CZ-CG2 4.14Å; R122-T354 WeakPolarHBondContact O-CB 3.22Å; R122-T354 PolarHBondContact O-N 3.49Å; K124-T354 PolarHBondContact N-O 3.27Å; I292-T354 HydrophobicContact CG2-CG2 4.09Å; G320-T354 PolarHBondContact N-OG1 2.94Å; L352-T354 PolarHBondContact O-N 2.92Å; T354-M356 HydrophobicContact CG2-SD 3.9Å
355	D	96.4	Very high	93.6	Very high	26 Å²	26	40.1 Å²	40.1	14%	0.139	20%	0.199	C	C	.	.			trans	-99.1	108.1	170.6	-174.1	-3.8	0	0	0	110.8	K124 V353 R357 R358	K124-D355 HydrophobicContact CB-CB 4.2Å; K124-D355 HydrophobicContact CD-CB 3.68Å; K124-D355 WeakPolarHBondContact CD-OD2 3.45Å; K124-D355 WeakPolarHBondContact CE-OD2 3.46Å; K124-D355 IonicContact NZ-OD2 2.65Å; K124-D355 PolarHBondContact NZ-OD2 3.25Å; V353-D355 PolarHBondContact O-N 2.83Å; D355-R357 PolarHBondContact O-N 3.46Å; D355-R357 VanDerWaalsContact O-N 3.14Å; D355-R357 WeakPolarHBondContact OD1-CA 3.38Å; D355-R357 WeakPolarHBondContact OD1-CB 3.37Å; D355-R357 PolarHBondContact OD1-N 2.97Å; D355-R358 HydrophobicContact CB-CB 4.19Å; D355-R358 VanDerWaalsContact O-CB 3.24Å; D355-R358 WeakPolarHBondContact O-CB 3.31Å; D355-R358 PolarHBondContact O-N 3.49Å; D355-R358 VanDerWaalsContact O-N 3.11Å
356	M	95.1	Very high	93.6	Very high	16 Å²	16	40 Å²	40	8%	0.079	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-8.7	176.5	-62.6	-53.6	-60.5	0	0	113.5	W135 L166 D167 S290 I292 T354	W135-M356 HydrophobicContact CH2-CG 3.95Å; W135-M356 HydrophobicContact CH2-SD 3.91Å; W135-M356 HydrophobicContact CZ2-CG 3.7Å; W135-M356 HydrophobicContact CZ2-SD 4.29Å; L166-M356 HydrophobicContact CB-CE 3.76Å; L166-M356 HydrophobicContact CB-SD 4.2Å; L166-M356 HydrophobicContact CG-CE 4.44Å; D167-M356 HydrophobicContact CB-CE 4.07Å; S290-M356 WeakPolarHBondContact CB-O 3.27Å; S290-M356 PolarHBondContact OG-O 3.15Å; I292-M356 HydrophobicContact CB-CE 3.91Å; I292-M356 HydrophobicContact CB-SD 4.05Å; I292-M356 HydrophobicContact CG2-CE 4.2Å; I292-M356 HydrophobicContact CG2-SD 3.92Å; T354-M356 HydrophobicContact CG2-SD 3.9Å
357	R	93.7	Very high	93.5	Very high	143 Å²	143	38.5 Å²	38.5	54%	0.54	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	1.5	174.7	-49.5	-54.9	-176.7	151.7	8.4	113.2	E126 D355 N359	E126-R357 IonicContact OE1-CZ 2.83Å; E126-R357 IonicContact OE1-NE 3.47Å; E126-R357 PolarHBondContact OE1-NE 3.43Å; E126-R357 IonicContact OE1-NH2 2.7Å; E126-R357 PolarHBondContact OE1-NH2 3.1Å; E126-R357 IonicContact OE2-CZ 2.82Å; E126-R357 IonicContact OE2-NE 3.66Å; E126-R357 IonicContact OE2-NH2 3.34Å; E126-R357 PolarHBondContact OE2-NH2 3.44Å; D355-R357 PolarHBondContact O-N 3.46Å; D355-R357 VanDerWaalsContact O-N 3.14Å; D355-R357 WeakPolarHBondContact OD1-CA 3.38Å; D355-R357 WeakPolarHBondContact OD1-CB 3.37Å; D355-R357 PolarHBondContact OD1-N 2.97Å; R357-N359 PolarHBondContact O-N 3.41Å; R357-N359 PolarHBondContact O-ND2 3.35Å
358	R	94.1	Very high	93.4	Very high	15 Å²	15	44.8 Å²	44.8	6%	0.057	23%	0.23	C	C	.	.			trans	-65.3	118	174.6	-175.7	166.1	72.3	90.5	-12.5	110.2	I292 G320 E325 E346 D355 L360	I292-R358 HydrophobicContact CD1-CB 4.32Å; G320-R358 PolarHBondContact O-NH2 3.18Å; E325-R358 IonicContact OE1-CZ 2.83Å; E325-R358 IonicContact OE1-NH1 2.66Å; E325-R358 PolarHBondContact OE1-NH1 3.35Å; E325-R358 IonicContact OE1-NH2 3.72Å; E325-R358 IonicContact OE2-CZ 3.71Å; E325-R358 IonicContact OE2-NH1 3.76Å; E325-R358 PolarHBondContact OE2-NH1 3.29Å; E325-R358 IonicContact OE2-NH2 3.72Å; E325-R358 PolarHBondContact OE2-NH2 3.28Å; E346-R358 WeakPolarHBondContact O-CD 3.36Å; D355-R358 HydrophobicContact CB-CB 4.19Å; D355-R358 VanDerWaalsContact O-CB 3.24Å; D355-R358 WeakPolarHBondContact O-CB 3.31Å; D355-R358 PolarHBondContact O-N 3.49Å; D355-R358 VanDerWaalsContact O-N 3.11Å; R358-L360 WeakPolarHBondContact CG-O 3.3Å; R358-L360 PolarHBondContact NH1-O 3.32Å
359	N	91.2	Very high	93.3	Very high	111 Å²	111	45.4 Å²	45.4	59%	0.594	23%	0.232	S	C	*	.			trans	-101.3	-23	-179.5	-60.2	-58.1	0	0	0	112.8	R291 R357	R291-N359 VanDerWaalsContact CD-O 3.27Å; R291-N359 WeakPolarHBondContact CD-O 3.41Å; R291-N359 PolarHBondContact NH1-O 3.17Å; R357-N359 PolarHBondContact O-N 3.41Å; R357-N359 PolarHBondContact O-ND2 3.35Å
360	L	92.9	Very high	93	Very high	84 Å²	84	48 Å²	48	44%	0.44	25%	0.248	S	C	.	.			trans	-98	146.7	-179.4	-57.3	-178.6	0	0	0	111.6	R358 E364 M365	R358-L360 WeakPolarHBondContact CG-O 3.3Å; R358-L360 PolarHBondContact NH1-O 3.32Å; L360-E364 VanDerWaalsContact CA-OE2 3.26Å; L360-E364 WeakPolarHBondContact CA-OE2 3.49Å; L360-E364 HydrophobicContact CB-CB 4.28Å; L360-E364 HydrophobicContact CD2-CB 4.26Å; L360-M365 HydrophobicContact CB-CE 4.43Å; L360-M365 HydrophobicContact CB-CG 3.82Å; L360-M365 HydrophobicContact CB-SD 4.41Å; L360-M365 HydrophobicContact CD1-CG 4.1Å; L360-M365 WeakPolarHBondContact O-CE 3.48Å
361	N	92.7	Very high	92.7	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.021	27%	0.265	C	S	.	.			trans	-94.6	168.1	168	68.8	46.9	0	0	0	112.2	R291 C322 E324 E325 F363 E364 M365	R291-N361 PolarHBondContact NH2-ND2 3.38Å; C322-N361 HydrophobicContact CB-CB 4.21Å; E324-N361 WeakPolarHBondContact CG-ND2 3.42Å; E324-N361 PolarHBondContact OE2-ND2 3.04Å; E325-N361 HydrophobicContact CG-CB 4.29Å; E325-N361 WeakPolarHBondContact OE1-CA 3.41Å; E325-N361 WeakPolarHBondContact OE1-CB 3.44Å; N361-F363 PolarHBondContact O-N 3.25Å; N361-F363 VanDerWaalsContact O-N 3.15Å; N361-F363 WeakPolarHBondContact OD1-CB 3.3Å; N361-F363 PolarHBondContact OD1-N 3.15Å; N361-E364 PolarHBondContact N-OE2 3.4Å; N361-E364 PolarHBondContact ND2-OE1 3.03Å; N361-E364 PolarHBondContact O-N 3.39Å; N361-E364 VanDerWaalsContact O-N 3.11Å; N361-E364 WeakPolarHBondContact OD1-CG 3.37Å; N361-E364 PolarHBondContact OD1-N 2.99Å; N361-M365 VanDerWaalsContact O-CE 3.29Å; N361-M365 WeakPolarHBondContact O-CE 3.42Å; N361-M365 PolarHBondContact O-N 2.89Å
362	I	92.9	Very high	92.3	Very high	8 Å²	8	57.7 Å²	57.7	4%	0.041	29%	0.286	C	S	.	.	H	α-helix	trans	-50	-36.2	179.2	54.7	-178.6	0	0	0	114.8	E325 L328 V337 M341 T347 Q366 L369	E325-I362 HydrophobicContact CG-CD1 3.93Å; E325-I362 HydrophobicContact CG-CG1 3.79Å; E325-I362 HydrophobicContact CG-CG2 4.44Å; E325-I362 PolarHBondContact OE1-N 3.03Å; L328-I362 HydrophobicContact CD2-CD1 3.41Å; L328-I362 VanDerWaalsContact CD2-CD1 3.41Å; V337-I362 HydrophobicContact CG1-CD1 4.44Å; M341-I362 HydrophobicContact CG-CG2 4.04Å; T347-I362 HydrophobicContact CG2-CG2 3.8Å; I362-Q366 PolarHBondContact O-N 3.12Å; I362-L369 HydrophobicContact CB-CD2 4.16Å
363	F	92.2	Very high	91.9	Very high	50 Å²	50	57.3 Å²	57.3	22%	0.219	28%	0.284	C	S	.	.	H	α-helix	trans	-77.3	-33.3	-178.4	-53	-74.6	0	0	0	112.2	E324 L328 N361 Q366 P367 V370 I373	E324-F363 HydrophobicContact CB-CD2 4.31Å; E324-F363 HydrophobicContact CB-CE2 4.32Å; L328-F363 HydrophobicContact CB-CE2 4.42Å; L328-F363 HydrophobicContact CB-CZ 4.02Å; L328-F363 HydrophobicContact CD1-CZ 4.26Å; L328-F363 HydrophobicContact CD2-CE1 4.45Å; L328-F363 HydrophobicContact CD2-CZ 3.9Å; L328-F363 HydrophobicContact CG-CZ 4.26Å; N361-F363 PolarHBondContact O-N 3.25Å; N361-F363 VanDerWaalsContact O-N 3.15Å; N361-F363 WeakPolarHBondContact OD1-CB 3.3Å; N361-F363 PolarHBondContact OD1-N 3.15Å; F363-Q366 CarbonylContact O-C 3.55Å; F363-Q366 VanDerWaalsContact O-C 3.29Å; F363-P367 VanDerWaalsContact O-CA 3.27Å; F363-P367 WeakPolarHBondContact O-CA 3.33Å; F363-P367 VanDerWaalsContact O-N 3.14Å; F363-V370 HydrophobicContact CD1-CG2 3.64Å; F363-V370 HydrophobicContact CE1-CG2 4.25Å; F363-V370 HydrophobicContact CG-CG2 4.47Å; F363-I373 HydrophobicContact CE1-CD1 3.7Å; F363-I373 HydrophobicContact CZ-CD1 4.34Å
364	E	92.5	Very high	91.4	Very high	85 Å²	85	60.6 Å²	60.6	40%	0.397	30%	0.302	S	S	.	.	H	α-helix	trans	-73.7	-32.3	174.6	-67.5	162.5	-178.8	0	0	111.8	R291 L360 N361	R291-E364 IonicContact CZ-OE1 2.71Å; R291-E364 IonicContact CZ-OE2 2.72Å; R291-E364 VanDerWaalsContact NH1-CD 3.27Å; R291-E364 IonicContact NH1-OE1 3.44Å; R291-E364 PolarHBondContact NH1-OE1 3.44Å; R291-E364 IonicContact NH1-OE2 3.22Å; R291-E364 PolarHBondContact NH1-OE2 2.95Å; R291-E364 IonicContact NH2-OE1 3.19Å; R291-E364 PolarHBondContact NH2-OE1 3.41Å; R291-E364 IonicContact NH2-OE2 3.43Å; L360-E364 VanDerWaalsContact CA-OE2 3.26Å; L360-E364 WeakPolarHBondContact CA-OE2 3.49Å; L360-E364 HydrophobicContact CB-CB 4.28Å; L360-E364 HydrophobicContact CD2-CB 4.26Å; N361-E364 PolarHBondContact N-OE2 3.4Å; N361-E364 PolarHBondContact ND2-OE1 3.03Å; N361-E364 PolarHBondContact O-N 3.39Å; N361-E364 VanDerWaalsContact O-N 3.11Å; N361-E364 WeakPolarHBondContact OD1-CG 3.37Å; N361-E364 PolarHBondContact OD1-N 2.99Å
365	M	89.5	Confident	90.9	Very high	39 Å²	39	64.5 Å²	64.5	19%	0.192	32%	0.322	C	S	.	.	H	α-helix	trans	-74.7	-35.7	172.2	-72.4	178.6	-82.5	0	0	112.4	E346 T347 L360 N361	E346-M365 HydrophobicContact CB-SD 3.57Å; E346-M365 VanDerWaalsContact CB-SD 3.57Å; T347-M365 HydrophobicContact CG2-CE 3.52Å; T347-M365 HydrophobicContact CG2-SD 4.37Å; L360-M365 HydrophobicContact CB-CE 4.43Å; L360-M365 HydrophobicContact CB-CG 3.82Å; L360-M365 HydrophobicContact CB-SD 4.41Å; L360-M365 HydrophobicContact CD1-CG 4.1Å; L360-M365 WeakPolarHBondContact O-CE 3.48Å; N361-M365 VanDerWaalsContact O-CE 3.29Å; N361-M365 WeakPolarHBondContact O-CE 3.42Å; N361-M365 PolarHBondContact O-N 2.89Å
366	Q	89.8	Confident	90.5	Very high	89 Å²	89	65.9 Å²	65.9	42%	0.416	33%	0.327	S	S	.	.			trans	-138.8	82.4	-177.6	-61.8	-175.7	2.7	0	0	111.6	I362 F363 N368 L369	I362-Q366 PolarHBondContact O-N 3.12Å; F363-Q366 CarbonylContact O-C 3.55Å; F363-Q366 VanDerWaalsContact O-C 3.29Å; Q366-N368 VanDerWaalsContact C-N 3.29Å; Q366-N368 PolarHBondContact O-N 3.33Å; Q366-L369 HydrophobicContact CB-CB 4.07Å; Q366-L369 HydrophobicContact CB-CD2 4.49Å; Q366-L369 WeakPolarHBondContact O-CB 3.34Å; Q366-L369 PolarHBondContact O-N 3.39Å
367	P	89.4	Confident	90.1	Very high	85 Å²	85	65.3 Å²	65.3	55%	0.552	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-38	-177.6	-29	36.9	0	0	0	114.3	F363 L369 V370	F363-P367 VanDerWaalsContact O-CA 3.27Å; F363-P367 WeakPolarHBondContact O-CA 3.33Å; F363-P367 VanDerWaalsContact O-N 3.14Å; P367-L369 PolarHBondContact O-N 2.9Å; P367-V370 WeakPolarHBondContact O-CG2 3.32Å; P367-V370 PolarHBondContact O-N 3.42Å
368	N	88.9	Confident	89.8	Confident	139 Å²	139	65.7 Å²	65.7	74%	0.743	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-13	178.7	-55.9	8.9	0	0	0	113.5	Q366 V370	Q366-N368 VanDerWaalsContact C-N 3.29Å; Q366-N368 PolarHBondContact O-N 3.33Å; N368-V370 VanDerWaalsContact C-N 3.25Å; N368-V370 PolarHBondContact O-N 2.97Å
369	L	89.3	Confident	89.6	Confident	14 Å²	14	73.3 Å²	73.3	7%	0.073	36%	0.359	C	S	.	.	H	α-helix	trans	-69.5	-23.4	179.4	-171.4	62.1	0	0	0	112.4	L340 I362 Q366 P367 Y372 I373	L340-L369 HydrophobicContact CD1-CD1 4.02Å; L340-L369 HydrophobicContact CD1-CD2 4.25Å; L340-L369 HydrophobicContact CD1-CG 4.4Å; L340-L369 HydrophobicContact CD2-CD1 3.77Å; I362-L369 HydrophobicContact CB-CD2 4.16Å; Q366-L369 HydrophobicContact CB-CB 4.07Å; Q366-L369 HydrophobicContact CB-CD2 4.49Å; Q366-L369 WeakPolarHBondContact O-CB 3.34Å; Q366-L369 PolarHBondContact O-N 3.39Å; P367-L369 PolarHBondContact O-N 2.9Å; L369-Y372 HydrophobicContact CD1-CD1 3.88Å; L369-Y372 PolarHBondContact O-N 2.76Å; L369-I373 HydrophobicContact CD1-CD1 4.43Å; L369-I373 HydrophobicContact CD2-CD1 4.25Å; L369-I373 HydrophobicContact CG-CD1 3.75Å; L369-I373 HydrophobicContact CG-CG1 4.31Å; L369-I373 WeakPolarHBondContact O-CB 3.46Å; L369-I373 WeakPolarHBondContact O-CG1 3.49Å; L369-I373 PolarHBondContact O-N 2.82Å
370	V	87.1	Confident	89.4	Confident	56 Å²	56	70.9 Å²	70.9	34%	0.339	34%	0.344	S	S	.	.	H	α-helix	trans	-59.6	-48.6	177.9	175.4	0	0	0	0	111	F363 P367 N368 I373 N374	F363-V370 HydrophobicContact CD1-CG2 3.64Å; F363-V370 HydrophobicContact CE1-CG2 4.25Å; F363-V370 HydrophobicContact CG-CG2 4.47Å; P367-V370 WeakPolarHBondContact O-CG2 3.32Å; P367-V370 PolarHBondContact O-N 3.42Å; N368-V370 VanDerWaalsContact C-N 3.25Å; N368-V370 PolarHBondContact O-N 2.97Å; V370-I373 PolarHBondContact O-N 3.02Å; V370-N374 VanDerWaalsContact O-CG 3.26Å; V370-N374 PolarHBondContact O-N 2.85Å; V370-N374 PolarHBondContact O-ND2 3.18Å
371	D	88.3	Confident	89.1	Confident	116 Å²	116	66.9 Å²	66.9	62%	0.62	32%	0.323	S	S	*	.	H	α-helix	trans	-66.4	-44.2	-178.7	-61.4	-40	0	0	0	110.9	I373 N374 D375	D371-I373 VanDerWaalsContact C-N 3.32Å; D371-I373 PolarHBondContact O-N 3.31Å; D371-N374 PolarHBondContact O-N 3.2Å; D371-D375 WeakPolarHBondContact O-CB 3.14Å; D371-D375 PolarHBondContact O-N 3.29Å
372	Y	90.1	Very high	88.9	Confident	113 Å²	113	66.7 Å²	66.7	44%	0.443	32%	0.322	S	S	.	.	H	α-helix	trans	-56.6	-43.2	174.1	174.1	-99.3	0	0	0	112.7	L340 L369 D375 K376	L340-Y372 HydrophobicContact CD2-CE1 4.17Å; L369-Y372 HydrophobicContact CD1-CD1 3.88Å; L369-Y372 PolarHBondContact O-N 2.76Å; Y372-D375 PolarHBondContact O-N 2.77Å; Y372-K376 HydrophobicContact CD1-CG 4.47Å; Y372-K376 HydrophobicContact CE1-CG 4.06Å; Y372-K376 HydrophobicContact CE2-CG 4.21Å; Y372-K376 VanDerWaalsContact O-CB 3.31Å; Y372-K376 WeakPolarHBondContact O-CB 3.45Å; Y372-K376 WeakPolarHBondContact O-CG 2.99Å; Y372-K376 PolarHBondContact O-N 3.01Å; Y372-K376 WeakPolarHBondContact OH-CE 3.4Å
373	I	89	Confident	88.3	Confident	5 Å²	5	69 Å²	69	3%	0.026	34%	0.335	C	S	.	.	H	α-helix	trans	-65.9	-42.7	177	-77.1	166	0	0	0	111.5	L328 W332 L340 F363 L369 V370 D371 K376 L377	L328-I373 HydrophobicContact CD1-CD1 3.98Å; L328-I373 HydrophobicContact CD1-CG2 3.62Å; L328-I373 HydrophobicContact CD2-CD1 3.56Å; L328-I373 HydrophobicContact CG-CD1 4.44Å; W332-I373 HydrophobicContact CZ3-CG1 4.33Å; L340-I373 HydrophobicContact CD1-CD1 4.03Å; L340-I373 HydrophobicContact CD1-CG1 4.15Å; F363-I373 HydrophobicContact CE1-CD1 3.7Å; F363-I373 HydrophobicContact CZ-CD1 4.34Å; L369-I373 HydrophobicContact CD1-CD1 4.43Å; L369-I373 HydrophobicContact CD2-CD1 4.25Å; L369-I373 HydrophobicContact CG-CD1 3.75Å; L369-I373 HydrophobicContact CG-CG1 4.31Å; L369-I373 WeakPolarHBondContact O-CB 3.46Å; L369-I373 WeakPolarHBondContact O-CG1 3.49Å; L369-I373 PolarHBondContact O-N 2.82Å; V370-I373 PolarHBondContact O-N 3.02Å; D371-I373 VanDerWaalsContact C-N 3.32Å; D371-I373 PolarHBondContact O-N 3.31Å; I373-K376 PolarHBondContact O-N 2.86Å; I373-L377 HydrophobicContact CG2-CD1 3.99Å; I373-L377 WeakPolarHBondContact O-CB 3.47Å; I373-L377 PolarHBondContact O-N 3.29Å
374	N	86.1	Confident	87.8	Confident	71 Å²	71	67.5 Å²	67.5	38%	0.38	33%	0.329	S	S	.	.	H	α-helix	trans	-64.4	-42.8	177.2	-68.2	-31.5	0	0	0	111.1	V370 D371 K376 L377 K378	V370-N374 VanDerWaalsContact O-CG 3.26Å; V370-N374 PolarHBondContact O-N 2.85Å; V370-N374 PolarHBondContact O-ND2 3.18Å; D371-N374 PolarHBondContact O-N 3.2Å; N374-K376 VanDerWaalsContact C-N 3.27Å; N374-K376 PolarHBondContact O-N 2.98Å; N374-L377 PolarHBondContact O-N 3.21Å; N374-K378 WeakPolarHBondContact O-CB 3.45Å; N374-K378 PolarHBondContact O-N 2.66Å
375	D	87.8	Confident	87.4	Confident	86 Å²	86	64.5 Å²	64.5	46%	0.46	32%	0.317	S	S	.	.	H	α-helix	trans	-65.3	-29.1	176	-116.4	36.7	0	0	0	113	D371 Y372 R379	D371-D375 WeakPolarHBondContact O-CB 3.14Å; D371-D375 PolarHBondContact O-N 3.29Å; Y372-D375 PolarHBondContact O-N 2.77Å; D375-R379 WeakPolarHBondContact O-CD 3.34Å; D375-R379 VanDerWaalsContact O-CG 3.27Å; D375-R379 WeakPolarHBondContact O-CG 3.41Å; D375-R379 PolarHBondContact O-NE 3.17Å; D375-R379 IonicContact OD2-CZ 2.71Å; D375-R379 IonicContact OD2-NH2 3.57Å; D375-R379 PolarHBondContact OD2-NH2 2.91Å
376	K	88.4	Confident	87.1	Confident	55 Å²	55	63 Å²	63	24%	0.239	31%	0.312	C	S	.	.	H	α-helix	trans	-75.6	-49.6	172.8	-88.3	-77.1	-169.9	157	0	111.9	W332 Y372 I373 N374 K378 R379 E380	W332-K376 HydrophobicContact CH2-CB 4.3Å; W332-K376 HydrophobicContact CH2-CG 4.35Å; W332-K376 HydrophobicContact CZ2-CB 3.82Å; W332-K376 HydrophobicContact CZ2-CD 4.09Å; W332-K376 HydrophobicContact CZ2-CG 4.11Å; Y372-K376 HydrophobicContact CD1-CG 4.47Å; Y372-K376 HydrophobicContact CE1-CG 4.06Å; Y372-K376 HydrophobicContact CE2-CG 4.21Å; Y372-K376 VanDerWaalsContact O-CB 3.31Å; Y372-K376 WeakPolarHBondContact O-CB 3.45Å; Y372-K376 WeakPolarHBondContact O-CG 2.99Å; Y372-K376 PolarHBondContact O-N 3.01Å; Y372-K376 WeakPolarHBondContact OH-CE 3.4Å; I373-K376 PolarHBondContact O-N 2.86Å; N374-K376 VanDerWaalsContact C-N 3.27Å; N374-K376 PolarHBondContact O-N 2.98Å; K376-K378 VanDerWaalsContact C-N 3.32Å; K376-K378 PolarHBondContact O-N 2.87Å; K376-R379 PolarHBondContact O-N 3.03Å; K376-E380 WeakPolarHBondContact CD-OE1 3.5Å; K376-E380 WeakPolarHBondContact CE-OE1 3.44Å; K376-E380 IonicContact NZ-OE1 3.55Å; K376-E380 PolarHBondContact NZ-OE1 3.3Å; K376-E380 WeakPolarHBondContact O-CB 3.41Å; K376-E380 PolarHBondContact O-N 3.24Å
377	L	86.1	Confident	86.8	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.016	30%	0.301	C	S	.	.	H	α-helix	trans	-55.5	-45.8	175.1	-84.4	167.1	0	0	0	111.5	W332 I373 N374 R379 E380 G381	W332-L377 HydrophobicContact CB-CD2 3.84Å; W332-L377 HydrophobicContact CB-CG 4.35Å; W332-L377 HydrophobicContact CG-CD2 3.93Å; W332-L377 HydrophobicContact CG-CG 4.29Å; I373-L377 HydrophobicContact CG2-CD1 3.99Å; I373-L377 WeakPolarHBondContact O-CB 3.47Å; I373-L377 PolarHBondContact O-N 3.29Å; N374-L377 PolarHBondContact O-N 3.21Å; L377-R379 PolarHBondContact O-N 3.1Å; L377-R379 VanDerWaalsContact O-N 3.1Å; L377-E380 PolarHBondContact O-N 2.66Å; L377-G381 VanDerWaalsContact O-CA 3.23Å; L377-G381 WeakPolarHBondContact O-CA 3.31Å; L377-G381 PolarHBondContact O-N 3.15Å
378	K	87.1	Confident	86.4	Confident	151 Å²	151	60.4 Å²	60.4	66%	0.657	30%	0.3	S	S	*	.	H	α-helix	trans	-62.8	-16.8	177.2	-172.8	163.8	-176.3	161.9	0	114.5	N374 K376	N374-K378 WeakPolarHBondContact O-CB 3.45Å; N374-K378 PolarHBondContact O-N 2.66Å; K376-K378 VanDerWaalsContact C-N 3.32Å; K376-K378 PolarHBondContact O-N 2.87Å
379	R	89.6	Confident	86.1	Confident	175 Å²	175	54.2 Å²	54.2	66%	0.66	27%	0.267	S	S	*	.	H	α-helix	trans	-101.7	-39.6	177.6	-69.3	179.9	-123.5	-165.9	-2.3	112.9	D375 K376 L377	D375-R379 WeakPolarHBondContact O-CD 3.34Å; D375-R379 VanDerWaalsContact O-CG 3.27Å; D375-R379 WeakPolarHBondContact O-CG 3.41Å; D375-R379 PolarHBondContact O-NE 3.17Å; D375-R379 IonicContact OD2-CZ 2.71Å; D375-R379 IonicContact OD2-NH2 3.57Å; D375-R379 PolarHBondContact OD2-NH2 2.91Å; K376-R379 PolarHBondContact O-N 3.03Å; L377-R379 PolarHBondContact O-N 3.1Å; L377-R379 VanDerWaalsContact O-N 3.1Å
380	E	87.5	Confident	85.7	Confident	60 Å²	60	55.9 Å²	55.9	28%	0.28	28%	0.281	S	S	.	.	H	α-helix	trans	-102.4	-19.8	-171	-64.3	172.8	-178.8	0	0	113.5	W332 H336 K376 L377 R732	W332-E380 WeakPolarHBondContact CZ2-OE2 3.27Å; W332-E380 PolarHBondContact NE1-OE2 3.11Å; W332-E380 VanDerWaalsContact NE1-OE2 3.11Å; H336-E380 IonicContact CE1-OE2 3.59Å; H336-E380 PolarHBondContact CE1-OE2 3.17Å; H336-E380 IonicContact ND1-OE2 3.59Å; K376-E380 WeakPolarHBondContact CD-OE1 3.5Å; K376-E380 WeakPolarHBondContact CE-OE1 3.44Å; K376-E380 IonicContact NZ-OE1 3.55Å; K376-E380 PolarHBondContact NZ-OE1 3.3Å; K376-E380 WeakPolarHBondContact O-CB 3.41Å; K376-E380 PolarHBondContact O-N 3.24Å; L377-E380 PolarHBondContact O-N 2.66Å; E380-R732 VanDerWaalsContact O-CZ 3.29Å; E380-R732 PolarHBondContact O-NH1 3.14Å; E380-R732 PolarHBondContact O-NH2 3.39Å
381	G	87.9	Confident	85.7	Confident	1 Å²	1	57 Å²	57	1%	0.01	28%	0.279	C	S	.	.			trans	69.7	175.5	-170.8	0	0	0	0	0	113.9	L377 D726 H730	L377-G381 VanDerWaalsContact O-CA 3.23Å; L377-G381 WeakPolarHBondContact O-CA 3.31Å; L377-G381 PolarHBondContact O-N 3.15Å; G381-D726 CarbonylContact C-O 3.55Å; G381-D726 WeakPolarHBondContact CA-O 3.29Å; G381-H730 WeakPolarHBondContact CA-NE2 3.04Å; G381-H730 PolarHBondContact N-CE1 3.49Å; G381-H730 VanDerWaalsContact N-CE1 3.35Å
382	S	86.9	Confident	86	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.252	C	S	.	.			trans	-87.7	148.5	174.7	179	0	0	0	0	111.5	R331 L384 D726 R727 R732	R331-S382 WeakPolarHBondContact O-CB 3.49Å; R331-S382 PolarHBondContact O-OG 2.87Å; S382-L384 WeakPolarHBondContact OG-CB 3.3Å; S382-L384 PolarHBondContact OG-N 3.15Å; S382-D726 PolarHBondContact N-O 3.03Å; S382-R727 WeakPolarHBondContact O-CD 3.48Å; S382-R727 PolarHBondContact O-NH1 3.46Å; S382-R732 PolarHBondContact O-NH1 3.4Å
383	N	81.5	Confident	86	Confident	57 Å²	57	48.3 Å²	48.3	31%	0.305	25%	0.245	S	C	.	.			trans	-93.4	-0.2	168.1	-75.9	-48.9	0	0	0	113.8	W332 T333 S385 A682	W332-N383 PolarHBondContact O-N 3.26Å; T333-N383 PolarHBondContact OG1-ND2 2.94Å; N383-S385 PolarHBondContact O-N 2.86Å; N383-A682 HydrophobicContact CB-CB 3.74Å; N383-A682 WeakPolarHBondContact ND2-CB 3.25Å
384	L	81.3	Confident	86.3	Confident	18 Å²	18	49.9 Å²	49.9	9%	0.094	25%	0.251	C	S	.	.			trans	-68.1	101.2	176	-166.1	59.6	0	0	0	111.1	Q330 S382 G386 V387 M719 L722 R727 F734	Q330-L384 WeakPolarHBondContact O-CB 3.42Å; S382-L384 WeakPolarHBondContact OG-CB 3.3Å; S382-L384 PolarHBondContact OG-N 3.15Å; L384-G386 VanDerWaalsContact C-N 3.27Å; L384-G386 VanDerWaalsContact CD1-O 3.32Å; L384-G386 WeakPolarHBondContact CD1-O 3.46Å; L384-G386 PolarHBondContact O-N 3.17Å; L384-V387 HydrophobicContact CD1-CG1 4.45Å; L384-V387 HydrophobicContact CD2-CG1 3.85Å; L384-V387 HydrophobicContact CG-CG1 4.35Å; L384-M719 HydrophobicContact CD2-CE 3.43Å; L384-M719 VanDerWaalsContact CD2-CE 3.43Å; L384-L722 HydrophobicContact CB-CD2 4.3Å; L384-L722 HydrophobicContact CD2-CD1 4.5Å; L384-L722 HydrophobicContact CD2-CD2 4.04Å; L384-R727 VanDerWaalsContact O-CD 3.24Å; L384-R727 WeakPolarHBondContact O-CD 3.45Å; L384-R727 PolarHBondContact O-NE 3.02Å; L384-R727 VanDerWaalsContact O-NE 3.11Å; L384-F734 HydrophobicContact CB-CE2 4.41Å; L384-F734 HydrophobicContact CD2-CE2 4.02Å; L384-F734 HydrophobicContact CD2-CZ 4.46Å; L384-F734 HydrophobicContact CG-CE2 3.96Å; L384-F734 WeakPolarHBondContact O-CD2 3.36Å
385	S	83.2	Confident	86.5	Confident	21 Å²	21	48.3 Å²	48.3	15%	0.147	25%	0.247	C	C	.	.			trans	-74.4	-16.2	179.1	54.8	0	0	0	0	114.1	N383 F734 T735	N383-S385 PolarHBondContact O-N 2.86Å; S385-F734 CarbonylContact O-C 3.57Å; S385-F734 WeakPolarHBondContact O-CA 3.39Å; S385-T735 PolarHBondContact O-N 3.1Å
386	G	84.4	Confident	86.8	Confident	8 Å²	8	48.2 Å²	48.2	8%	0.082	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.6	177.8	178.9	0	0	0	0	0	113.4	L384 T735	L384-G386 VanDerWaalsContact C-N 3.27Å; L384-G386 VanDerWaalsContact CD1-O 3.32Å; L384-G386 WeakPolarHBondContact CD1-O 3.46Å; L384-G386 PolarHBondContact O-N 3.17Å; G386-T735 CarbonylContact C-O 3.55Å; G386-T735 WeakPolarHBondContact CA-O 3.29Å
387	V	82.8	Confident	87	Confident	31 Å²	31	47.2 Å²	47.2	19%	0.188	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	142.2	177.4	-67.5	0	0	0	0	111.5	L384 M719 F734 T735 F736 L737	L384-V387 HydrophobicContact CD1-CG1 4.45Å; L384-V387 HydrophobicContact CD2-CG1 3.85Å; L384-V387 HydrophobicContact CG-CG1 4.35Å; V387-M719 HydrophobicContact CG1-CE 4.17Å; V387-M719 HydrophobicContact CG1-CG 4.43Å; V387-M719 HydrophobicContact CG2-CG 4.37Å; V387-F734 HydrophobicContact CG1-CZ 4.01Å; V387-F734 HydrophobicContact CG2-CE1 4.09Å; V387-F734 HydrophobicContact CG2-CZ 3.95Å; V387-T735 PolarHBondContact N-O 3.36Å; V387-F736 HydrophobicContact CG2-CD1 3.63Å; V387-F736 HydrophobicContact CG2-CE1 3.84Å; V387-F736 WeakPolarHBondContact O-CA 3.25Å; V387-L737 PolarHBondContact O-N 3.43Å
388	T	81	Confident	87.2	Confident	88 Å²	88	50.3 Å²	50.3	54%	0.54	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	122.2	168.5	-56.3	0	0	0	0	109.1	L737 A739	T388-L737 CarbonylContact C-O 3.23Å; T388-L737 WeakPolarHBondContact CA-O 3.32Å; T388-A739 HydrophobicContact CG2-CB 3.83Å
389	T	82.4	Confident	87.2	Confident	9 Å²	9	47.2 Å²	47.2	6%	0.055	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	151.9	-177.1	165.6	0	0	0	0	111.6	Y391 F392 C713 A716 F736 L737 A739	T389-Y391 VanDerWaalsContact C-N 3.25Å; T389-Y391 PolarHBondContact O-N 2.64Å; T389-Y391 PolarHBondContact OG1-N 3.26Å; T389-Y391 PolarHBondContact OG1-O 3.37Å; T389-F392 HydrophobicContact CG2-CD1 3.7Å; T389-F392 HydrophobicContact CG2-CE1 4.23Å; T389-C713 PolarHBondContact OG1-SG 3.44Å; T389-A716 HydrophobicContact CG2-CB 4.23Å; T389-F736 HydrophobicContact CG2-CB 4.36Å; T389-F736 HydrophobicContact CG2-CD1 4.44Å; T389-L737 WeakPolarHBondContact CG2-O 3.22Å; T389-L737 PolarHBondContact N-O 3.31Å; T389-A739 VanDerWaalsContact O-CB 3.3Å; T389-A739 WeakPolarHBondContact O-CB 3.4Å; T389-A739 PolarHBondContact O-N 3.14Å
390	S	81.3	Confident	87	Confident	50 Å²	50	43.6 Å²	43.6	35%	0.35	25%	0.254	S	S	.	.	S	Bend	trans	-58.6	-34.9	174.3	57	0	0	0	0	112.9	N740	S390-N740 PolarHBondContact O-ND2 3.31Å
391	Y	88.1	Confident	86.9	Confident	80 Å²	80	42.4 Å²	42.4	31%	0.314	25%	0.251	S	S	.	.			trans	-158.6	136	-173.8	174.1	-89.9	0	0	0	113.4	T389 A393 H711 C713 V814 V816	T389-Y391 VanDerWaalsContact C-N 3.25Å; T389-Y391 PolarHBondContact O-N 2.64Å; T389-Y391 PolarHBondContact OG1-N 3.26Å; T389-Y391 PolarHBondContact OG1-O 3.37Å; Y391-A393 WeakPolarHBondContact OH-CB 3.32Å; Y391-H711 HydrophobicContact CE1-CB 4.41Å; Y391-C713 HydrophobicContact CD1-CB 4.39Å; Y391-C713 PolarHBondContact O-N 3.28Å; Y391-V814 HydrophobicContact CD1-CG2 4.32Å; Y391-V814 HydrophobicContact CE1-CG2 3.86Å; Y391-V816 HydrophobicContact CD1-CG2 3.62Å; Y391-V816 HydrophobicContact CE1-CG2 4.37Å; Y391-V816 HydrophobicContact CG-CG1 4.39Å; Y391-V816 HydrophobicContact CG-CG2 3.85Å
392	F	93.1	Very high	86.7	Confident	9 Å²	9	42.4 Å²	42.4	4%	0.039	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	164.8	147.8	58.6	-105.4	0	0	0	109.2	T389 H711 L712 F736 N738 H744 I746	T389-F392 HydrophobicContact CG2-CD1 3.7Å; T389-F392 HydrophobicContact CG2-CE1 4.23Å; F392-H711 CarbonylContact C-O 3.58Å; F392-H711 WeakPolarHBondContact CA-O 2.76Å; F392-H711 VanDerWaalsContact CB-O 3.31Å; F392-H711 WeakPolarHBondContact CB-O 3.04Å; F392-L712 HydrophobicContact CB-CD2 3.78Å; F392-F736 HydrophobicContact CD1-CB 4.03Å; F392-F736 HydrophobicContact CE1-CB 4.02Å; F392-F736 WeakPolarHBondContact CE1-O 3.5Å; F392-N738 HydrophobicContact CD1-CB 4.48Å; F392-N738 HydrophobicContact CE1-CB 3.86Å; F392-N738 HydrophobicContact CZ-CB 3.91Å; F392-H744 HydrophobicContact CE2-CB 4.14Å; F392-H744 HydrophobicContact CZ-CB 4.06Å; F392-H744 WeakPolarHBondContact CZ-O 3.34Å; F392-I746 HydrophobicContact CB-CD1 4.3Å; F392-I746 HydrophobicContact CD2-CD1 3.5Å; F392-I746 VanDerWaalsContact CD2-CD1 3.5Å; F392-I746 HydrophobicContact CD2-CG1 3.83Å; F392-I746 HydrophobicContact CE2-CD1 3.91Å; F392-I746 HydrophobicContact CE2-CG1 3.67Å; F392-I746 HydrophobicContact CG-CD1 3.89Å; F392-I746 HydrophobicContact CG-CG1 4.39Å; F392-I746 HydrophobicContact CZ-CG1 4.08Å
393	A	90.5	Very high	86.4	Confident	36 Å²	36	44.6 Å²	44.6	30%	0.298	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	158.7	163.7	0	0	0	0	0	110	Y391 H711	Y391-A393 WeakPolarHBondContact OH-CB 3.32Å; A393-H711 HydrophobicContact CB-CB 4.46Å; A393-H711 PolarHBondContact N-O 2.73Å; A393-H711 PolarHBondContact O-N 2.84Å
394	W	94.6	Very high	86.5	Confident	39 Å²	39	46 Å²	46	15%	0.148	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	149.7	170	62.7	-102.4	0	0	0	110	R703 I705 L708 D709 V710 I746 A766 L771	W394-R703 VanDerWaalsContact CH2-NH2 3.33Å; W394-I705 HydrophobicContact CE3-CD1 4Å; W394-I705 HydrophobicContact CH2-CD1 4.15Å; W394-I705 HydrophobicContact CZ3-CD1 3.47Å; W394-I705 VanDerWaalsContact CZ3-CD1 3.47Å; W394-L708 HydrophobicContact CB-CD1 4.41Å; W394-D709 CarbonylContact C-O 3.57Å; W394-D709 VanDerWaalsContact CA-O 3.23Å; W394-D709 WeakPolarHBondContact CA-O 3.39Å; W394-V710 HydrophobicContact CB-CG2 4.49Å; W394-I746 HydrophobicContact CB-CD1 4.27Å; W394-I746 HydrophobicContact CG-CD1 4.46Å; W394-A766 HydrophobicContact CH2-CB 3.37Å; W394-A766 HydrophobicContact CZ2-CB 3.67Å; W394-A766 HydrophobicContact CZ3-CB 4.24Å; W394-L771 HydrophobicContact CB-CD2 3.83Å; W394-L771 HydrophobicContact CD2-CB 4.26Å; W394-L771 HydrophobicContact CD2-CD2 3.87Å; W394-L771 HydrophobicContact CE3-CD2 4.38Å; W394-L771 HydrophobicContact CG-CB 4.4Å; W394-L771 HydrophobicContact CG-CD2 3.62Å; W394-L771 HydrophobicContact CZ2-CB 4.17Å
395	A	92.1	Very high	86.6	Confident	37 Å²	37	50.1 Å²	50.1	31%	0.306	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	142.8	179.8	0	0	0	0	0	112.1	I397 D709	A395-I397 HydrophobicContact CB-CG2 4.47Å; A395-D709 PolarHBondContact N-O 3Å; A395-D709 PolarHBondContact O-N 2.88Å
396	P	93.1	Very high	86.7	Confident	85 Å²	85	50.7 Å²	50.7	55%	0.552	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	133.2	160.4	31.4	-32.9	0	0	0	109.1	I705 Y707	P396-I705 HydrophobicContact CB-CG2 3.99Å; P396-Y707 WeakPolarHBondContact CA-O 3.47Å
397	I	91.9	Very high	86.5	Confident	33 Å²	33	55.9 Å²	55.9	17%	0.169	33%	0.333	C	S	.	.			trans	-126.9	-160.2	-178.5	53	155.1	0	0	0	110.8	A395 L402 Y707 D709	A395-I397 HydrophobicContact CB-CG2 4.47Å; I397-L402 HydrophobicContact CD1-CB 3.95Å; I397-L402 HydrophobicContact CD1-CD1 3.49Å; I397-L402 VanDerWaalsContact CD1-CD1 3.49Å; I397-L402 HydrophobicContact CD1-CG 4.36Å; I397-Y707 PolarHBondContact N-O 3.33Å; I397-D709 HydrophobicContact CB-CB 4.4Å; I397-D709 HydrophobicContact CD1-CB 3.8Å; I397-D709 HydrophobicContact CG1-CB 3.93Å; I397-D709 HydrophobicContact CG2-CB 3.6Å
398	T	90.6	Very high	86.4	Confident	69 Å²	69	55.9 Å²	55.9	42%	0.423	34%	0.34	S	S	.	.			trans	-135	162.1	179.2	67.7	0	0	0	0	109.7	V400 T401 L402	T398-V400 PolarHBondContact O-N 3.36Å; T398-V400 VanDerWaalsContact O-N 3.14Å; T398-V400 PolarHBondContact OG1-N 2.95Å; T398-T401 PolarHBondContact N-OG1 3.12Å; T398-T401 PolarHBondContact O-N 3.35Å; T398-T401 PolarHBondContact O-OG1 2.97Å; T398-T401 PolarHBondContact OG1-N 3.36Å; T398-T401 VanDerWaalsContact OG1-N 3.16Å; T398-T401 PolarHBondContact OG1-OG1 2.96Å; T398-L402 WeakPolarHBondContact O-CB 3.41Å; T398-L402 PolarHBondContact O-N 3.12Å
399	I	87.9	Confident	86.5	Confident	85 Å²	85	51.8 Å²	51.8	44%	0.436	31%	0.314	S	S	.	.	H	α-helix	trans	-54.8	-32	174.5	-166	169.6	0	0	0	113.5	F478 Y707	I399-F478 HydrophobicContact CD1-CE2 4.46Å; I399-F478 HydrophobicContact CG1-CE2 4.13Å; I399-Y707 HydrophobicContact CB-CD1 4.27Å; I399-Y707 HydrophobicContact CB-CE1 3.51Å; I399-Y707 HydrophobicContact CD1-CE1 4.41Å; I399-Y707 HydrophobicContact CG1-CE1 3.9Å
400	V	84.5	Confident	86.5	Confident	99 Å²	99	53.8 Å²	53.8	60%	0.6	33%	0.327	S	S	*	.	H	α-helix	trans	-69.3	-55.7	176.3	-178.1	0	0	0	0	109.9	T398 L402 G403 E404	T398-V400 PolarHBondContact O-N 3.36Å; T398-V400 VanDerWaalsContact O-N 3.14Å; T398-V400 PolarHBondContact OG1-N 2.95Å; V400-L402 PolarHBondContact O-N 3.32Å; V400-G403 PolarHBondContact O-N 3.01Å; V400-G403 VanDerWaalsContact O-N 3.14Å; V400-E404 PolarHBondContact O-N 3.37Å
401	T	85.6	Confident	86.6	Confident	36 Å²	36	56.1 Å²	56.1	22%	0.221	33%	0.332	C	S	.	.	H	α-helix	trans	-70.5	-15.6	-177.1	55.4	0	0	0	0	113.6	T398 R810	T398-T401 PolarHBondContact N-OG1 3.12Å; T398-T401 PolarHBondContact O-N 3.35Å; T398-T401 PolarHBondContact O-OG1 2.97Å; T398-T401 PolarHBondContact OG1-N 3.36Å; T398-T401 VanDerWaalsContact OG1-N 3.16Å; T398-T401 PolarHBondContact OG1-OG1 2.96Å; T401-R810 PolarHBondContact O-NH1 2.9Å; T401-R810 PolarHBondContact O-NH2 2.77Å
402	L	84.7	Confident	86.2	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-64.4	-47	168.6	-171.9	75.4	0	0	0	111.6	I397 T398 V400 Y707 R803 P805 R810	I397-L402 HydrophobicContact CD1-CB 3.95Å; I397-L402 HydrophobicContact CD1-CD1 3.49Å; I397-L402 VanDerWaalsContact CD1-CD1 3.49Å; I397-L402 HydrophobicContact CD1-CG 4.36Å; T398-L402 WeakPolarHBondContact O-CB 3.41Å; T398-L402 PolarHBondContact O-N 3.12Å; V400-L402 PolarHBondContact O-N 3.32Å; L402-Y707 HydrophobicContact CD2-CD1 4.31Å; L402-R803 WeakPolarHBondContact O-CD 3.45Å; L402-R803 PolarHBondContact O-NE 3.4Å; L402-P805 HydrophobicContact CD2-CB 4.33Å; L402-P805 HydrophobicContact CD2-CG 4.48Å; L402-R810 HydrophobicContact CD1-CB 3.64Å; L402-R810 PolarHBondContact O-NH1 3.08Å
403	G	80.5	Confident	85.6	Confident	46 Å²	46	53.7 Å²	53.7	47%	0.474	32%	0.323	S	S	.	.	H	α-helix	trans	-78.8	-15	-177.6	0	0	0	0	0	115	V400	V400-G403 PolarHBondContact O-N 3.01Å; V400-G403 VanDerWaalsContact O-N 3.14Å
404	E	82.1	Confident	85.1	Confident	87 Å²	87	59 Å²	59	41%	0.407	34%	0.335	S	S	.	.	S	Bend	trans	-60.7	136.8	174.9	-73.7	171.2	179.3	0	0	111.8	V400 R803 R810	V400-E404 PolarHBondContact O-N 3.37Å; E404-R803 PolarHBondContact O-NH2 2.84Å; E404-R810 PolarHBondContact O-NH1 3.24Å
405	L	84.3	Confident	84.3	Confident	104 Å²	104	60.5 Å²	60.5	55%	0.545	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-73.3	135.6	173.4	-73.1	169.8	0	0	0	110.4	E409 V410	L405-E409 HydrophobicContact CD2-CG 4.47Å; L405-V410 HydrophobicContact CD1-CG2 4.08Å
406	L	84.5	Confident	83.5	Confident	32 Å²	32	60.5 Å²	60.5	17%	0.168	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-84.7	152.7	179.4	-62.4	-179	0	0	0	111.7	G408 E409 V801 C812	L406-G408 PolarHBondContact O-N 2.9Å; L406-E409 HydrophobicContact CB-CB 4.48Å; L406-E409 PolarHBondContact N-OE2 3.04Å; L406-E409 WeakPolarHBondContact O-CB 3.45Å; L406-E409 PolarHBondContact O-N 3.23Å; L406-V801 HydrophobicContact CD1-CG1 4.05Å; L406-V801 HydrophobicContact CD1-CG2 3.98Å; L406-C812 HydrophobicContact CD1-CB 4.06Å; L406-C812 VanDerWaalsContact CD1-SG 3.56Å
407	P	81.4	Confident	82.5	Confident	117 Å²	117	61.5 Å²	61.5	76%	0.76	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	128.4	178.1	-26.2	35.3	0	0	0	112.3	E409 P799	P407-E409 VanDerWaalsContact C-N 3.28Å; P407-E409 PolarHBondContact O-N 3.45Å; P407-P799 WeakPolarHBondContact O-CG 3.47Å
408	G	80	Confident	81.3	Confident	32 Å²	32	65 Å²	65	33%	0.33	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	-4.7	-177.5	0	0	0	0	0	115.6	L406 V410 E411 S412	L406-G408 PolarHBondContact O-N 2.9Å; G408-V410 VanDerWaalsContact C-N 3.31Å; G408-V410 PolarHBondContact O-N 2.87Å; G408-E411 PolarHBondContact O-N 3.11Å; G408-S412 PolarHBondContact O-N 3.02Å
409	E	84.5	Confident	79.9	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-64.6	-35.4	179.2	-169.6	-174	158.7	0	0	112.2	L405 L406 P407 E411 S412 R413 V801 R803	L405-E409 HydrophobicContact CD2-CG 4.47Å; L406-E409 HydrophobicContact CB-CB 4.48Å; L406-E409 PolarHBondContact N-OE2 3.04Å; L406-E409 WeakPolarHBondContact O-CB 3.45Å; L406-E409 PolarHBondContact O-N 3.23Å; P407-E409 VanDerWaalsContact C-N 3.28Å; P407-E409 PolarHBondContact O-N 3.45Å; E409-E411 VanDerWaalsContact C-N 3.33Å; E409-S412 PolarHBondContact O-N 2.98Å; E409-S412 PolarHBondContact O-OG 2.92Å; E409-R413 WeakPolarHBondContact O-CB 3.43Å; E409-R413 WeakPolarHBondContact O-CD 3.48Å; E409-R413 WeakPolarHBondContact O-CG 3.39Å; E409-R413 PolarHBondContact O-N 3.46Å; E409-R413 IonicContact OE1-CZ 3.82Å; E409-R413 IonicContact OE1-NE 2.83Å; E409-R413 PolarHBondContact OE1-NE 2.75Å; E409-R413 VanDerWaalsContact OE1-NE 3.07Å; E409-R413 IonicContact OE1-NH2 2.98Å; E409-R413 PolarHBondContact OE1-NH2 2.9Å; E409-V801 HydrophobicContact CG-CB 4.45Å; E409-V801 HydrophobicContact CG-CG2 3.87Å; E409-R803 IonicContact OE1-CZ 3.79Å; E409-R803 IonicContact OE1-NH1 3.51Å; E409-R803 PolarHBondContact OE1-NH1 3.04Å; E409-R803 IonicContact OE1-NH2 3.18Å; E409-R803 IonicContact OE2-CZ 3.07Å; E409-R803 IonicContact OE2-NH1 2.73Å; E409-R803 PolarHBondContact OE2-NH1 3.37Å; E409-R803 IonicContact OE2-NH2 2.7Å; E409-R803 PolarHBondContact OE2-NH2 2.84Å
410	V	81.9	Confident	78.4	Confident	52 Å²	52	61.7 Å²	61.7	32%	0.315	33%	0.326	S	S	.	.	H	α-helix	trans	-66.2	-38.4	176.9	-179.7	0	0	0	0	110.8	L405 G408 R414	L405-V410 HydrophobicContact CD1-CG2 4.08Å; G408-V410 VanDerWaalsContact C-N 3.31Å; G408-V410 PolarHBondContact O-N 2.87Å; V410-R414 WeakPolarHBondContact O-CB 3.41Å; V410-R414 WeakPolarHBondContact O-CD 3.29Å; V410-R414 WeakPolarHBondContact O-CG 3.24Å; V410-R414 PolarHBondContact O-N 3.07Å
411	E	82.9	Confident	76.6	Confident	98 Å²	98	64.3 Å²	64.3	46%	0.458	33%	0.329	S	S	.	.	H	α-helix	trans	-69.6	-43.5	177.9	-73.2	51	-114.7	0	0	110.8	G408 E409 R414 L415	G408-E411 PolarHBondContact O-N 3.11Å; E409-E411 VanDerWaalsContact C-N 3.33Å; E411-R414 WeakPolarHBondContact O-CB 3.39Å; E411-R414 PolarHBondContact O-N 3.29Å; E411-R414 IonicContact OE1-CZ 2.7Å; E411-R414 IonicContact OE1-NH1 2.68Å; E411-R414 PolarHBondContact OE1-NH1 3.04Å; E411-L415 WeakPolarHBondContact O-CB 3.38Å; E411-L415 PolarHBondContact O-N 3.06Å
412	S	79.1	Confident	74.7	Confident	4 Å²	4	69.2 Å²	69.2	3%	0.028	34%	0.344	C	S	.	.	H	α-helix	trans	-66	-38.9	177.3	91.7	0	0	0	0	112.4	G408 E409 L415 R416 P799	G408-S412 PolarHBondContact O-N 3.02Å; E409-S412 PolarHBondContact O-N 2.98Å; E409-S412 PolarHBondContact O-OG 2.92Å; S412-L415 PolarHBondContact O-N 3.15Å; S412-R416 WeakPolarHBondContact O-CG 3.38Å; S412-R416 PolarHBondContact O-N 3.15Å; S412-R416 VanDerWaalsContact O-N 3.08Å; S412-R416 PolarHBondContact O-NE 3.12Å; S412-R416 PolarHBondContact OG-NH2 2.89Å; S412-P799 WeakPolarHBondContact CB-O 3.18Å; S412-P799 PolarHBondContact OG-O 2.94Å
413	R	80.3	Confident	72.7	Confident	34 Å²	34	72.6 Å²	72.6	13%	0.128	36%	0.362	C	S	.	.	H	α-helix	trans	-60.7	-48.1	171.5	-73.4	164.4	177.3	-101.3	-3.2	111.3	E409 L415 R416 R417 D472	E409-R413 WeakPolarHBondContact O-CB 3.43Å; E409-R413 WeakPolarHBondContact O-CD 3.48Å; E409-R413 WeakPolarHBondContact O-CG 3.39Å; E409-R413 PolarHBondContact O-N 3.46Å; E409-R413 IonicContact OE1-CZ 3.82Å; E409-R413 IonicContact OE1-NE 2.83Å; E409-R413 PolarHBondContact OE1-NE 2.75Å; E409-R413 VanDerWaalsContact OE1-NE 3.07Å; E409-R413 IonicContact OE1-NH2 2.98Å; E409-R413 PolarHBondContact OE1-NH2 2.9Å; R413-L415 VanDerWaalsContact C-N 3.32Å; R413-L415 PolarHBondContact O-N 3.13Å; R413-R416 PolarHBondContact O-N 3.4Å; R413-R417 PolarHBondContact O-N 3.15Å; R413-R417 VanDerWaalsContact O-N 3.12Å; R413-D472 IonicContact CZ-OD1 3.22Å; R413-D472 IonicContact NH1-OD1 2.77Å; R413-D472 PolarHBondContact NH1-OD1 3.19Å; R413-D472 IonicContact NH1-OD2 3.61Å; R413-D472 PolarHBondContact NH1-OD2 3.33Å; R413-D472 IonicContact NH2-OD1 2.8Å
414	R	80.1	Confident	70.9	Confident	147 Å²	147	73.7 Å²	73.7	56%	0.555	36%	0.362	S	S	*	.	H	α-helix	trans	-58.1	-42.5	176.4	-78.2	165.7	172.8	162.3	-4.3	112	V410 E411 R417 Q418	V410-R414 WeakPolarHBondContact O-CB 3.41Å; V410-R414 WeakPolarHBondContact O-CD 3.29Å; V410-R414 WeakPolarHBondContact O-CG 3.24Å; V410-R414 PolarHBondContact O-N 3.07Å; E411-R414 WeakPolarHBondContact O-CB 3.39Å; E411-R414 PolarHBondContact O-N 3.29Å; E411-R414 IonicContact OE1-CZ 2.7Å; E411-R414 IonicContact OE1-NH1 2.68Å; E411-R414 PolarHBondContact OE1-NH1 3.04Å; R414-R417 PolarHBondContact O-N 2.77Å; R414-Q418 WeakPolarHBondContact O-CG 3.25Å; R414-Q418 PolarHBondContact O-N 3.39Å; R414-Q418 VanDerWaalsContact O-N 3.1Å
415	L	77.9	Confident	68.9	Low	72 Å²	72	73 Å²	73	38%	0.377	37%	0.367	S	S	.	.	H	α-helix	trans	-71.1	-41.6	-176.5	-159.3	60.8	0	0	0	111.7	E411 S412 R413 R417 Q418 T419 H797	E411-L415 WeakPolarHBondContact O-CB 3.38Å; E411-L415 PolarHBondContact O-N 3.06Å; S412-L415 PolarHBondContact O-N 3.15Å; R413-L415 VanDerWaalsContact C-N 3.32Å; R413-L415 PolarHBondContact O-N 3.13Å; L415-R417 PolarHBondContact O-N 3.33Å; L415-Q418 WeakPolarHBondContact O-CB 3.35Å; L415-Q418 PolarHBondContact O-N 2.8Å; L415-T419 PolarHBondContact O-N 3.15Å; L415-T419 VanDerWaalsContact O-N 3.12Å; L415-T419 PolarHBondContact O-OG1 2.79Å; L415-H797 HydrophobicContact CB-CB 4.49Å; L415-H797 HydrophobicContact CD2-CB 4.37Å
416	R	75.5	Confident	66.6	Low	36 Å²	36	72 Å²	72	14%	0.136	37%	0.369	C	S	.	.	H	α-helix	trans	-55.5	-48.4	171.4	-76.6	177.5	-83.6	152.8	-10.6	111.9	S412 R413 Q418 T419 Q420 H797	S412-R416 WeakPolarHBondContact O-CG 3.38Å; S412-R416 PolarHBondContact O-N 3.15Å; S412-R416 VanDerWaalsContact O-N 3.08Å; S412-R416 PolarHBondContact O-NE 3.12Å; S412-R416 PolarHBondContact OG-NH2 2.89Å; R413-R416 PolarHBondContact O-N 3.4Å; R416-Q418 VanDerWaalsContact C-N 3.26Å; R416-Q418 PolarHBondContact O-N 3.18Å; R416-T419 PolarHBondContact O-N 3.13Å; R416-T419 VanDerWaalsContact O-N 3.17Å; R416-Q420 WeakPolarHBondContact O-CG 3.21Å; R416-Q420 PolarHBondContact O-N 3.27Å; R416-Q420 VanDerWaalsContact O-N 3.16Å; R416-H797 HydrophobicContact CG-CB 4.24Å
417	R	72.2	Confident	64.3	Low	107 Å²	107	75.2 Å²	75.2	40%	0.404	39%	0.39	S	S	.	.	H	α-helix	trans	-62.2	-26.4	175.3	-74.1	-179.9	170	159.8	7.5	114.3	R413 R414 L415 K421 D470 D472	R413-R417 PolarHBondContact O-N 3.15Å; R413-R417 VanDerWaalsContact O-N 3.12Å; R414-R417 PolarHBondContact O-N 2.77Å; L415-R417 PolarHBondContact O-N 3.33Å; R417-K421 WeakPolarHBondContact O-CG 3.18Å; R417-D470 IonicContact CZ-OD2 2.65Å; R417-D470 IonicContact NE-OD2 3.54Å; R417-D470 PolarHBondContact NE-OD2 2.98Å; R417-D470 IonicContact NH2-OD2 3.36Å; R417-D470 PolarHBondContact NH2-OD2 3.49Å; R417-D472 IonicContact CZ-OD2 3.51Å; R417-D472 IonicContact NH1-OD2 2.62Å; R417-D472 IonicContact NH2-OD2 3.98Å; R417-D472 PolarHBondContact NH2-OD2 2.8Å
418	Q	66.5	Low	61.9	Low	106 Å²	106	74.2 Å²	74.2	50%	0.495	39%	0.386	S	S	.	.	H	α-helix	trans	-75.6	-39.2	173.8	-74.6	-179.5	27.4	0	0	112.1	R414 L415 R416 K421	R414-Q418 WeakPolarHBondContact O-CG 3.25Å; R414-Q418 PolarHBondContact O-N 3.39Å; R414-Q418 VanDerWaalsContact O-N 3.1Å; L415-Q418 WeakPolarHBondContact O-CB 3.35Å; L415-Q418 PolarHBondContact O-N 2.8Å; R416-Q418 VanDerWaalsContact C-N 3.26Å; R416-Q418 PolarHBondContact O-N 3.18Å; Q418-K421 PolarHBondContact O-N 3.4Å
419	T	61.2	Low	59.5	Low	30 Å²	30	77.4 Å²	77.4	18%	0.184	40%	0.402	C	S	.	.	H	α-helix	trans	-63.1	-52.8	177.5	-58.8	0	0	0	0	110.6	L415 R416 K421 R422	L415-T419 PolarHBondContact O-N 3.15Å; L415-T419 VanDerWaalsContact O-N 3.12Å; L415-T419 PolarHBondContact O-OG1 2.79Å; R416-T419 PolarHBondContact O-N 3.13Å; R416-T419 VanDerWaalsContact O-N 3.17Å; T419-K421 PolarHBondContact O-N 2.83Å; T419-R422 PolarHBondContact O-N 2.99Å
420	Q	56.6	Low	56.8	Low	55 Å²	55	83.9 Å²	83.9	26%	0.257	44%	0.436	S	S	.	.	H	α-helix	trans	-48.6	-38	174.3	-68.6	169.2	-13.6	0	0	113.8	R416 S424 V467 A468	R416-Q420 WeakPolarHBondContact O-CG 3.21Å; R416-Q420 PolarHBondContact O-N 3.27Å; R416-Q420 VanDerWaalsContact O-N 3.16Å; Q420-S424 PolarHBondContact O-N 3.42Å; Q420-S424 PolarHBondContact O-OG 3.17Å; Q420-V467 HydrophobicContact CG-CG1 4.18Å; Q420-A468 PolarHBondContact NE2-O 2.79Å
421	K	46.9	Very low	54.2	Low	153 Å²	153	92.8 Å²	92.8	67%	0.665	47%	0.465	S	S	*	.	H	α-helix	trans	-71.9	-24.9	-178.6	-82.6	-171.9	174.2	-172.7	0	114.1	R417 Q418 T419 S424 S425	R417-K421 WeakPolarHBondContact O-CG 3.18Å; Q418-K421 PolarHBondContact O-N 3.4Å; T419-K421 PolarHBondContact O-N 2.83Å; K421-S424 WeakPolarHBondContact CA-OG 3.34Å; K421-S424 PolarHBondContact O-OG 2.94Å; K421-S425 VanDerWaalsContact O-CB 3.29Å; K421-S425 WeakPolarHBondContact O-CB 3.32Å; K421-S425 PolarHBondContact O-N 2.81Å; K421-S425 VanDerWaalsContact O-N 3.11Å; K421-S425 PolarHBondContact O-OG 2.54Å; K421-S425 VanDerWaalsContact O-OG 3.11Å
422	R	44.8	Very low	51.6	Low	139 Å²	139	93.4 Å²	93.4	53%	0.525	48%	0.48	S	S	.	.	H	α-helix	trans	-71.4	-48.5	177.6	-60.4	-172.9	-157.9	117.4	6.6	110.8	T419 S424 S425 S426	T419-R422 PolarHBondContact O-N 2.99Å; R422-S424 PolarHBondContact O-N 3.23Å; R422-S425 PolarHBondContact O-N 2.83Å; R422-S425 PolarHBondContact O-OG 3.15Å; R422-S426 WeakPolarHBondContact O-CB 3.49Å; R422-S426 PolarHBondContact O-N 3.37Å; R422-S426 PolarHBondContact O-OG 2.8Å
423	D	43.9	Very low	49.2	Very low	72 Å²	72	98 Å²	98	39%	0.385	51%	0.513	S	S	.	.	H	α-helix	trans	-61.5	-44.4	177.8	-75.3	-87.4	0	0	0	112.9	S426 T427 K465	D423-S426 PolarHBondContact O-N 3.09Å; D423-T427 PolarHBondContact O-N 3.33Å; D423-T427 PolarHBondContact O-OG1 2.85Å; D423-K465 IonicContact OD1-NZ 3.1Å; D423-K465 PolarHBondContact OD1-NZ 3.26Å
424	S	42.5	Very low	46.7	Very low	69 Å²	69	107 Å²	107	48%	0.483	55%	0.553	S	S	.	*	H	α-helix	trans	-65.3	-41.5	177.5	44.2	0	0	0	0	112	Q420 K421 R422 S426 T427 S428	Q420-S424 PolarHBondContact O-N 3.42Å; Q420-S424 PolarHBondContact O-OG 3.17Å; K421-S424 WeakPolarHBondContact CA-OG 3.34Å; K421-S424 PolarHBondContact O-OG 2.94Å; R422-S424 PolarHBondContact O-N 3.23Å; S424-S426 VanDerWaalsContact C-N 3.27Å; S424-S426 PolarHBondContact O-N 2.86Å; S424-T427 PolarHBondContact O-N 2.91Å; S424-S428 PolarHBondContact O-N 3.18Å; S424-S428 PolarHBondContact O-OG 2.81Å
425	S	39.8	Very low	44.4	Very low	73 Å²	73	104.9 Å²	104.9	51%	0.51	56%	0.561	S	S	.	*	H	α-helix	trans	-65.6	-26	174.1	72.4	0	0	0	0	114.4	K421 R422 T427	K421-S425 VanDerWaalsContact O-CB 3.29Å; K421-S425 WeakPolarHBondContact O-CB 3.32Å; K421-S425 PolarHBondContact O-N 2.81Å; K421-S425 VanDerWaalsContact O-N 3.11Å; K421-S425 PolarHBondContact O-OG 2.54Å; K421-S425 VanDerWaalsContact O-OG 3.11Å; R422-S425 PolarHBondContact O-N 2.83Å; R422-S425 PolarHBondContact O-OG 3.15Å; S425-T427 VanDerWaalsContact C-N 3.33Å
426	S	37	Very low	42	Very low	82 Å²	82	109.7 Å²	109.7	57%	0.573	58%	0.581	S	S	*	*	H	α-helix	trans	-81.7	-13	177.9	-55.3	0	0	0	0	113	R422 D423 S424	R422-S426 WeakPolarHBondContact O-CB 3.49Å; R422-S426 PolarHBondContact O-N 3.37Å; R422-S426 PolarHBondContact O-OG 2.8Å; D423-S426 PolarHBondContact O-N 3.09Å; S424-S426 VanDerWaalsContact C-N 3.27Å; S424-S426 PolarHBondContact O-N 2.86Å
427	T	34.6	Very low	40	Very low	101 Å²	101	114.1 Å²	114.1	62%	0.62	61%	0.612	S	S	*	*	H	α-helix	trans	-108.3	-12.5	-175.8	-40.5	0	0	0	0	112.4	D423 S424 S425	D423-T427 PolarHBondContact O-N 3.33Å; D423-T427 PolarHBondContact O-OG1 2.85Å; S424-T427 PolarHBondContact O-N 2.91Å; S425-T427 VanDerWaalsContact C-N 3.33Å
428	S	31.3	Very low	38	Very low	95 Å²	95	116.9 Å²	116.9	66%	0.664	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	7.8	-176.5	65.2	0	0	0	0	115.5	S424	S424-S428 PolarHBondContact O-N 3.18Å; S424-S428 PolarHBondContact O-OG 2.81Å
429	C	29.1	Very low	36.4	Very low	99 Å²	99	117.7 Å²	117.7	67%	0.669	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	3.8	179.1	58.7	0	0	0	0	113.9
430	L	29.6	Very low	35	Very low	137 Å²	137	119.3 Å²	119.3	72%	0.717	67%	0.67	S	S	*	*	S	Bend	trans	-115	138.7	168.2	-61.9	172.6	0	0	0	107.6
431	Y	25.7	Very low	33.9	Very low	239 Å²	239	121.9 Å²	121.9	94%	0.937	69%	0.694	S	S	*	*	S	Bend	trans	66.6	73.5	-167.6	-71.3	-88.7	0	0	0	116.7
432	S	28.5	Very low	33.2	Very low	111 Å²	111	124.4 Å²	124.4	78%	0.776	71%	0.705	S	S	*	*			trans	-154.1	147.3	137.3	-161.9	0	0	0	0	112.9
433	S	30.1	Very low	32.6	Very low	102 Å²	102	121.8 Å²	121.8	71%	0.713	71%	0.713	S	S	*	*			trans	47.9	91.6	159.4	-60.4	0	0	0	0	119.6
434	K	27.2	Very low	32.1	Very low	221 Å²	221	124.2 Å²	124.2	96%	0.961	73%	0.73	S	S	*	*			trans	-77.1	117.1	142.7	-84.2	-177	176.4	176.2	0	109
435	S	32.5	Very low	31.5	Very low	104 Å²	104	127.2 Å²	127.2	73%	0.727	74%	0.74	S	S	*	*			trans	-149.3	145.2	161.1	55.2	0	0	0	0	110.4
436	E	26.8	Very low	31.2	Very low	173 Å²	173	131.8 Å²	131.8	81%	0.808	75%	0.751	S	S	*	*			trans	-33.9	156	-179.4	-67	166.1	107.4	0	0	116.6
437	V	32.7	Very low	31	Very low	128 Å²	128	136 Å²	136	78%	0.776	76%	0.761	S	S	*	*				-149.4	154.1	64.5	166.7	0	0	0	0	114.7
438	Q	31.8	Very low	30.7	Very low	165 Å²	165	137.7 Å²	137.7	77%	0.771	77%	0.767	S	S	*	*			trans	-27.3	155	161.6	-49.7	162	19.1	0	0	114.8
439	S	32.6	Very low	31.2	Very low	123 Å²	123	138 Å²	138	86%	0.86	77%	0.766	S	S	*	*			cis	-164	167	29.4	-174	0	0	0	0	109.6
440	G	30.9	Very low	31.4	Very low	65 Å²	65	138.3 Å²	138.3	67%	0.67	77%	0.77	S	S	*	*			trans	166.8	6.2	171.5	0	0	0	0	0	125.1
441	S	33.8	Very low	31.8	Very low	108 Å²	108	137.3 Å²	137.3	76%	0.755	77%	0.769	S	S	*	*			trans	67.5	123.7	166.3	-60.6	0	0	0	0	121.7
442	K	32.9	Very low	32.1	Very low	206 Å²	206	132.2 Å²	132.2	90%	0.896	76%	0.758	S	S	*	*			trans	73.1	141.6	143.7	-65.9	174.9	-177.6	177.9	0	119.4
443	A	32	Very low	32.3	Very low	84 Å²	84	136.7 Å²	136.7	69%	0.694	76%	0.759	S	S	*	*			cis	-168.1	159.6	-12.4	0	0	0	0	0	112.8
444	V	32.6	Very low	32.2	Very low	123 Å²	123	138.4 Å²	138.4	75%	0.745	76%	0.761	S	S	*	*			trans	66.5	105	159.6	171.2	0	0	0	0	116
445	L	30.3	Very low	32.6	Very low	133 Å²	133	133.5 Å²	133.5	70%	0.696	75%	0.749	S	S	*	*				68.6	134.2	67	-63.9	168.9	0	0	0	113.3
446	F	32.3	Very low	32.7	Very low	169 Å²	169	136.5 Å²	136.5	74%	0.741	75%	0.752	S	S	*	*			cis	-134.8	-166.1	9.8	-56.2	-100.6	0	0	0	110
447	H	33.5	Very low	32.9	Very low	170 Å²	170	137.6 Å²	137.6	79%	0.787	75%	0.754	S	S	*	*			cis	-150.9	-171.4	3	-143.5	-80.2	0	0	0	110.4
448	N	29.2	Very low	32.8	Very low	137 Å²	137	135.9 Å²	135.9	73%	0.733	75%	0.748	S	S	*	*			trans	-162.3	-163.2	-179.6	-143.4	10.9	0	0	0	109.1
449	P	41.3	Very low	32.7	Very low	100 Å²	100	134.7 Å²	134.7	65%	0.649	75%	0.746	S	S	*	*				-124.8	-174.3	-60.5	31.3	-12	0	0	0	114
450	S	33.8	Very low	32.7	Very low	107 Å²	107	133.7 Å²	133.7	75%	0.748	74%	0.735	S	S	*	*			trans	-159.4	109.2	155	-69.7	0	0	0	0	109.1
451	T	36.4	Very low	32.5	Very low	116 Å²	116	139.1 Å²	139.1	71%	0.712	75%	0.749	S	S	*	*				60.8	132.6	101.9	59.5	0	0	0	0	115.8
452	D	33.3	Very low	32.2	Very low	131 Å²	131	139.9 Å²	139.9	70%	0.701	74%	0.743	S	S	*	*			cis	-167.3	160	4.9	-112.3	-19	0	0	0	116.5
453	Y	32	Very low	32	Very low	205 Å²	205	133.6 Å²	133.6	80%	0.804	74%	0.737	S	S	*	*			trans	55.8	122.6	156.8	-80	-93.9	0	0	0	126.5
454	N	29.2	Very low	31.8	Very low	138 Å²	138	133.6 Å²	133.6	74%	0.738	73%	0.732	S	S	*	*			trans	-60.2	158.7	169	-46.4	-70.5	0	0	0	117.5
455	T	34.3	Very low	31.5	Very low	118 Å²	118	135 Å²	135	72%	0.724	73%	0.728	S	S	*	*				-176.1	140.8	106.4	16	0	0	0	0	115.3
456	H	35	Very low	31.4	Very low	168 Å²	168	132.2 Å²	132.2	78%	0.778	72%	0.717	S	S	*	*			trans	60.4	150.6	163.4	-61.3	-52.8	0	0	0	118.5
457	K	31.3	Very low	31.2	Very low	196 Å²	196	128.6 Å²	128.6	85%	0.852	71%	0.708	S	S	*	*			cis	-147.6	164.1	-13.3	-130.7	175.8	178	-176.4	0	108.2
458	S	30.3	Very low	31.1	Very low	92 Å²	92	122.5 Å²	122.5	64%	0.643	69%	0.687	S	S	*	*			trans	-103.2	-174.3	-167.1	56.9	0	0	0	0	114.8
459	D	29.5	Very low	31.3	Very low	139 Å²	139	121.4 Å²	121.4	74%	0.743	68%	0.679	S	S	*	*			trans	89.5	124.2	159.8	-43.2	-24	0	0	0	115.8
460	T	32.1	Very low	31	Very low	103 Å²	103	117.8 Å²	117.8	63%	0.632	65%	0.654	S	S	*	*			cis	-158.2	140.3	-8.9	18.8	0	0	0	0	109.7	I462	T460-I462 PolarHBondContact O-N 3.42Å; T460-I462 VanDerWaalsContact O-N 3.14Å
461	D	26.8	Very low	31.6	Very low	178 Å²	178	113.9 Å²	113.9	95%	0.952	63%	0.626	S	S	*	*			trans	-70.2	100.6	161.8	-97.4	-45.4	0	0	0	109.6
462	I	29.1	Very low	31.9	Very low	125 Å²	125	109.9 Å²	109.9	64%	0.641	60%	0.6	S	S	*	*			trans	-103.8	69.3	174.1	-53.8	-174.3	0	0	0	109.2	T460 S464	T460-I462 PolarHBondContact O-N 3.42Å; T460-I462 VanDerWaalsContact O-N 3.14Å; I462-S464 VanDerWaalsContact CG2-OG 3.29Å; I462-S464 WeakPolarHBondContact CG2-OG 3.48Å; I462-S464 PolarHBondContact O-N 3.21Å
463	G	26.8	Very low	32	Very low	73 Å²	73	110.4 Å²	110.4	75%	0.753	60%	0.603	S	S	*	*			trans	-70.9	79.2	156.4	0	0	0	0	0	109	K465	G463-K465 PolarHBondContact O-N 3.42Å
464	S	28.1	Very low	32.1	Very low	85 Å²	85	105.4 Å²	105.4	59%	0.594	59%	0.594	S	S	*	*			trans	-57.7	99.9	-177.2	-79.8	0	0	0	0	111.7	I462 T466	I462-S464 VanDerWaalsContact CG2-OG 3.29Å; I462-S464 WeakPolarHBondContact CG2-OG 3.48Å; I462-S464 PolarHBondContact O-N 3.21Å; S464-T466 PolarHBondContact O-N 2.98Å; S464-T466 PolarHBondContact O-OG1 3.27Å
465	K	27.8	Very low	32.2	Very low	151 Å²	151	102.3 Å²	102.3	66%	0.657	58%	0.577	S	S	*	*			trans	-64.4	90	149.3	-81.9	-166.6	170.1	-167	0	107.1	D423 G463 V467	D423-K465 IonicContact OD1-NZ 3.1Å; D423-K465 PolarHBondContact OD1-NZ 3.26Å; G463-K465 PolarHBondContact O-N 3.42Å; K465-V467 PolarHBondContact O-N 3.01Å
466	T	26.9	Very low	31.8	Very low	76 Å²	76	102.5 Å²	102.5	47%	0.466	58%	0.578	S	S	.	*			trans	-64.9	87.9	172.4	-21.5	0	0	0	0	108.1	S464 A468 Y792	S464-T466 PolarHBondContact O-N 2.98Å; S464-T466 PolarHBondContact O-OG1 3.27Å; T466-A468 PolarHBondContact O-N 2.94Å; T466-A468 VanDerWaalsContact O-N 3.15Å; T466-Y792 PolarHBondContact OG1-OH 3.02Å
467	V	29.4	Very low	31.4	Very low	92 Å²	92	99.3 Å²	99.3	56%	0.558	57%	0.574	S	S	*	*			trans	-54.4	123.2	176.1	177.9	0	0	0	0	107.1	Q420 K465 M469	Q420-V467 HydrophobicContact CG-CG1 4.18Å; K465-V467 PolarHBondContact O-N 3.01Å; V467-M469 PolarHBondContact O-N 3.5Å
468	A	30.6	Very low	31.1	Very low	43 Å²	43	95.4 Å²	95.4	36%	0.355	56%	0.557	S	S	.	*			trans	-57.2	100.5	176	0	0	0	0	0	108.7	Q420 T466 C789	Q420-A468 PolarHBondContact NE2-O 2.79Å; T466-A468 PolarHBondContact O-N 2.94Å; T466-A468 VanDerWaalsContact O-N 3.15Å; A468-C789 HydrophobicContact CB-CB 4.43Å
469	M	32.4	Very low	31.1	Very low	113 Å²	113	95.2 Å²	95.2	56%	0.557	56%	0.561	S	S	*	*			trans	-67.5	142.2	-168.5	-81.7	-175.9	62.4	0	0	110.7	V467 T471 F785	V467-M469 PolarHBondContact O-N 3.5Å; M469-T471 PolarHBondContact O-N 3.37Å; M469-F785 HydrophobicContact CE-CE1 4.25Å; M469-F785 HydrophobicContact CE-CZ 4.04Å; M469-F785 HydrophobicContact SD-CE1 4.08Å; M469-F785 HydrophobicContact SD-CE2 4.41Å; M469-F785 HydrophobicContact SD-CZ 3.5Å; M469-F785 WeakPolarHBondContact SD-CZ 3.32Å
470	D	36.3	Very low	31	Very low	24 Å²	24	95.7 Å²	95.7	13%	0.128	57%	0.569	C	S	.	*			trans	-72	116.7	170.2	-126.9	-4.5	0	0	0	107.7	R417 D472 D473	R417-D470 IonicContact CZ-OD2 2.65Å; R417-D470 IonicContact NE-OD2 3.54Å; R417-D470 PolarHBondContact NE-OD2 2.98Å; R417-D470 IonicContact NH2-OD2 3.36Å; R417-D470 PolarHBondContact NH2-OD2 3.49Å; D470-D472 HydrophobicContact CB-CB 4.22Å; D470-D472 PolarHBondContact O-N 2.8Å; D470-D473 PolarHBondContact O-N 3.12Å
471	T	45.8	Very low	30.8	Very low	26 Å²	26	100.4 Å²	100.4	16%	0.16	58%	0.581	C	S	.	*	G	3₁₀ helix	trans	-59	-7	168.4	46.5	0	0	0	0	112.8	M469 T474 L475 F802	M469-T471 PolarHBondContact O-N 3.37Å; T471-T474 PolarHBondContact O-N 2.99Å; T471-T474 PolarHBondContact O-OG1 3.4Å; T471-L475 WeakPolarHBondContact O-CG 3.47Å; T471-F802 HydrophobicContact CG2-CD1 4.47Å
472	D	42.4	Very low	30.9	Very low	32 Å²	32	100.4 Å²	100.4	17%	0.171	57%	0.572	C	S	.	*	G	3₁₀ helix	trans	-70.9	-27.3	-177.1	-72	19.4	0	0	0	112.9	R413 R417 D470 T474 L475	R413-D472 IonicContact CZ-OD1 3.22Å; R413-D472 IonicContact NH1-OD1 2.77Å; R413-D472 PolarHBondContact NH1-OD1 3.19Å; R413-D472 IonicContact NH1-OD2 3.61Å; R413-D472 PolarHBondContact NH1-OD2 3.33Å; R413-D472 IonicContact NH2-OD1 2.8Å; R417-D472 IonicContact CZ-OD2 3.51Å; R417-D472 IonicContact NH1-OD2 2.62Å; R417-D472 IonicContact NH2-OD2 3.98Å; R417-D472 PolarHBondContact NH2-OD2 2.8Å; D470-D472 HydrophobicContact CB-CB 4.22Å; D470-D472 PolarHBondContact O-N 2.8Å; D472-T474 PolarHBondContact O-N 3.06Å; D472-L475 PolarHBondContact O-N 3.3Å
473	D	36.3	Very low	30.8	Very low	141 Å²	141	101.8 Å²	101.8	75%	0.754	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-70.5	-12.4	172.7	-70.3	-21.7	0	0	0	112.4	D470	D470-D473 PolarHBondContact O-N 3.12Å
474	T	34.8	Very low	30.8	Very low	100 Å²	100	105.6 Å²	105.6	61%	0.613	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-101.5	5.3	168.1	41.8	0	0	0	0	113.9	T471 D472	T471-T474 PolarHBondContact O-N 2.99Å; T471-T474 PolarHBondContact O-OG1 3.4Å; D472-T474 PolarHBondContact O-N 3.06Å
475	L	30.5	Very low	30.9	Very low	74 Å²	74	109.7 Å²	109.7	39%	0.387	58%	0.581	S	S	.	*			trans	-107.2	72.2	-176.6	-77.8	168.5	0	0	0	113.2	T471 D472	T471-L475 WeakPolarHBondContact O-CG 3.47Å; D472-L475 PolarHBondContact O-N 3.3Å
476	V	25.9	Very low	31	Very low	122 Å²	122	109.7 Å²	109.7	74%	0.739	59%	0.588	S	S	*	*			trans	-109.2	98	175	-177.5	0	0	0	0	112.1
477	S	25.6	Very low	31	Very low	100 Å²	100	113.7 Å²	113.7	70%	0.699	61%	0.607	S	S	*	*			trans	32	119.3	154.2	65.1	0	0	0	0	121.4
478	F	26.8	Very low	30.8	Very low	114 Å²	114	117.5 Å²	117.5	50%	0.5	62%	0.618	S	S	.	*			trans	-123.8	58.4	143.3	48.9	-87.9	0	0	0	111.3	I399 V480 P805	I399-F478 HydrophobicContact CD1-CE2 4.46Å; I399-F478 HydrophobicContact CG1-CE2 4.13Å; F478-V480 PolarHBondContact O-N 2.81Å; F478-P805 HydrophobicContact CE1-CB 3.5Å; F478-P805 HydrophobicContact CE1-CG 3.57Å; F478-P805 HydrophobicContact CZ-CB 3.67Å; F478-P805 HydrophobicContact CZ-CG 3.81Å
479	A	29.8	Very low	30.5	Very low	88 Å²	88	123.1 Å²	123.1	73%	0.727	64%	0.635	S	S	*	*			trans	-69.1	119.4	164.3	0	0	0	0	0	108.9	K481	A479-K481 PolarHBondContact O-N 2.98Å
480	V	26.4	Very low	30.2	Very low	149 Å²	149	124.2 Å²	124.2	90%	0.903	64%	0.642	S	S	*	*			trans	-58.8	104.9	-175.2	178.1	0	0	0	0	111.1	F478	F478-V480 PolarHBondContact O-N 2.81Å
481	K	28.9	Very low	29.5	Very low	202 Å²	202	129.5 Å²	129.5	88%	0.878	67%	0.67	S	S	*	*			trans	-135.2	136.4	170.3	-151.3	175.5	-176.5	-173.2	0	109.8	A479	A479-K481 PolarHBondContact O-N 2.98Å
482	K	28.4	Very low	28.5	Very low	179 Å²	179	135 Å²	135	78%	0.778	70%	0.703	S	S	*	*			trans	-126.5	135.5	-163.5	-175	178.2	-176.2	172.2	0	109.7
483	R	27.4	Very low	27.7	Very low	154 Å²	154	138.9 Å²	138.9	58%	0.581	73%	0.727	S	S	*	*			trans	75.5	115.8	-168.1	-50.8	179.7	-161.8	-111.4	-0.5	110.8
484	I	27.2	Very low	27.2	Very low	153 Å²	153	136 Å²	136	79%	0.785	73%	0.732	S	S	*	*				67.3	103.5	65.6	-60.4	159.2	0	0	0	109.9
485	E	29.3	Very low	26.7	Very low	171 Å²	171	134.8 Å²	134.8	80%	0.799	74%	0.739	S	S	*	*				-161.3	150.7	118	-118.7	141.9	-140.1	0	0	110.6
486	D	31	Very low	26.6	Very low	151 Å²	151	135.4 Å²	135.4	81%	0.807	76%	0.763	S	S	*	*			trans	61.4	143.6	167.1	-55.1	-17.7	0	0	0	122.2
487	D	25.4	Very low	26.7	Very low	160 Å²	160	133.5 Å²	133.5	86%	0.856	77%	0.768	S	S	*	*			trans	-86.7	-173.8	-168.5	-65	-70.3	0	0	0	114.2
488	E	25.2	Very low	26.9	Very low	171 Å²	171	137 Å²	137	80%	0.799	78%	0.779	S	S	*	*			trans	90.6	111	169.3	-67.2	-154.2	115.5	0	0	119.7
489	F	23.8	Very low	27	Very low	162 Å²	162	135.3 Å²	135.3	71%	0.711	79%	0.793	S	S	*	*			trans	93	108.3	145.2	-82.7	-125.5	0	0	0	122
490	I	26.1	Very low	26.9	Very low	136 Å²	136	134.9 Å²	134.9	70%	0.697	80%	0.797	S	S	*	*			trans	62.7	103.8	139.1	-51.4	179.2	0	0	0	115.8
491	D	22.6	Very low	27	Very low	134 Å²	134	131 Å²	131	72%	0.717	79%	0.788	S	S	*	*			cis	72.1	96.8	29.1	-160.5	24.8	0	0	0	116.3
492	V	24.7	Very low	27.1	Very low	141 Å²	141	129.1 Å²	129.1	86%	0.855	79%	0.787	S	S	*	*			trans	-144.2	114.6	149.9	178.9	0	0	0	0	109
493	V	26	Very low	27.3	Very low	114 Å²	114	128.4 Å²	128.4	69%	0.691	79%	0.787	S	S	*	*			trans	-96.3	143.2	172.2	173	0	0	0	0	110.5	G495	V493-G495 PolarHBondContact O-N 3.14Å
494	G	25.3	Very low	27.3	Very low	82 Å²	82	126 Å²	126	85%	0.845	79%	0.79	S	S	*	*			trans	-73.1	101.6	164.1	0	0	0	0	0	110.6
495	G	25.4	Very low	27.4	Very low	74 Å²	74	125.4 Å²	125.4	76%	0.763	79%	0.787	S	S	*	*			trans	-81.5	168.5	-176.7	0	0	0	0	0	114.8	V493	V493-G495 PolarHBondContact O-N 3.14Å
496	G	27.2	Very low	27.5	Very low	87 Å²	87	125.3 Å²	125.3	90%	0.897	79%	0.786	S	S	*	*			cis	169	-175.5	-2	0	0	0	0	0	114.6
497	G	28.5	Very low	27.3	Very low	81 Å²	81	126.9 Å²	126.9	84%	0.835	79%	0.786	S	S	*	*			trans	-176.5	136	177.8	0	0	0	0	0	108.6
498	N	28.7	Very low	27.6	Very low	174 Å²	174	127.5 Å²	127.5	93%	0.93	79%	0.789	S	S	*	*			trans	-117.9	136.2	-149.6	-152.7	8.8	0	0	0	115.7
499	G	28.9	Very low	27.7	Very low	78 Å²	78	124.2 Å²	124.2	80%	0.804	78%	0.78	S	S	*	*			trans	94.8	141.1	163.9	0	0	0	0	0	117.2
500	G	28.3	Very low	27.9	Very low	79 Å²	79	119.5 Å²	119.5	81%	0.814	77%	0.771	S	S	*	*			cis	166.6	152.5	-7.7	0	0	0	0	0	114.2
501	G	29.7	Very low	28	Very low	68 Å²	68	120 Å²	120	70%	0.701	77%	0.771	S	S	*	*			trans	98.4	121.6	179.9	0	0	0	0	0	113.5
502	D	29.3	Very low	28.2	Very low	162 Å²	162	117.5 Å²	117.5	87%	0.866	76%	0.764	S	S	*	*				88	134.6	67.1	-89	-18.5	0	0	0	112.6
503	E	32.4	Very low	28.3	Very low	165 Å²	165	121.4 Å²	121.4	77%	0.771	77%	0.765	S	S	*	*			cis	-142.2	146.9	4.9	-92.2	-164.6	102.1	0	0	113.5
504	T	28.4	Very low	28.3	Very low	104 Å²	104	122.7 Å²	122.7	64%	0.638	77%	0.766	S	S	*	*				32	123.6	129.4	-33.9	0	0	0	0	122.5
505	L	29.9	Very low	28.3	Very low	140 Å²	140	125.6 Å²	125.6	73%	0.733	76%	0.762	S	S	*	*				176.3	125.9	112.2	-94.1	171	0	0	0	117.5
506	Q	30.8	Very low	28.5	Very low	168 Å²	168	128 Å²	128	79%	0.785	77%	0.768	S	S	*	*			trans	22.1	123.2	147.5	-63.7	165.8	14.7	0	0	120.6
507	K	27.7	Very low	28.4	Very low	184 Å²	184	129.4 Å²	129.4	80%	0.8	76%	0.763	S	S	*	*				74.5	106.4	53.3	-171.3	-179.3	-177.9	173.7	0	114.6
508	L	30.3	Very low	28.4	Very low	173 Å²	173	132.7 Å²	132.7	91%	0.906	77%	0.768	S	S	*	*			trans	-147.2	135.6	150.1	-108.6	174	0	0	0	111.9
509	T	28.6	Very low	28.3	Very low	102 Å²	102	129.9 Å²	129.9	63%	0.626	76%	0.762	S	S	*	*			trans	-81.6	140.9	-171.5	42.6	0	0	0	0	112.8
510	A	27.8	Very low	28.2	Very low	63 Å²	63	131.2 Å²	131.2	52%	0.521	77%	0.765	S	S	.	*				73.4	158.7	105.6	0	0	0	0	0	115.1
511	E	28.2	Very low	28	Very low	147 Å²	147	135.9 Å²	135.9	69%	0.687	77%	0.77	S	S	*	*			cis	-153.1	-174.3	3.8	-155.2	131.1	-105.3	0	0	111.7
512	S	26.3	Very low	27.9	Very low	81 Å²	81	137.7 Å²	137.7	57%	0.566	78%	0.778	S	S	*	*			trans	9.5	136.6	157.1	62.1	0	0	0	0	120.2
513	Y	26.4	Very low	27.7	Very low	224 Å²	224	134.8 Å²	134.8	88%	0.878	77%	0.771	S	S	*	*				-158.2	172.8	66.8	-114.5	-86.6	0	0	0	115.1
514	I	27.1	Very low	27.5	Very low	140 Å²	140	133.8 Å²	133.8	72%	0.718	78%	0.776	S	S	*	*			trans	-101	144.6	-171.1	-69.6	171.5	0	0	0	112.4
515	N	25	Very low	27.4	Very low	144 Å²	144	134.4 Å²	134.4	77%	0.77	78%	0.783	S	S	*	*			trans	31.6	123	160.8	-56.9	-12.5	0	0	0	120.2
516	S	29.6	Very low	27.4	Very low	125 Å²	125	132.8 Å²	132.8	87%	0.874	79%	0.79	S	S	*	*				-164.9	148	112.8	-84.4	0	0	0	0	112.6
517	S	24	Very low	27.2	Very low	115 Å²	115	133.5 Å²	133.5	80%	0.804	79%	0.793	S	S	*	*			trans	-80.1	135.6	-179.6	-47.6	0	0	0	0	112.2
518	T	28.4	Very low	27.9	Very low	151 Å²	151	129.1 Å²	129.1	93%	0.926	78%	0.783	S	S	*	*			trans	-172.8	161.2	130.3	16.2	0	0	0	0	112.1
519	S	26.4	Very low	28	Very low	115 Å²	115	128.3 Å²	128.3	80%	0.804	78%	0.78	S	S	*	*			trans	-94.5	138.2	-173.9	54.1	0	0	0	0	113.7
520	A	27.1	Very low	28	Very low	105 Å²	105	128.2 Å²	128.2	87%	0.868	78%	0.783	S	S	*	*			trans	-153.3	145.8	150.7	0	0	0	0	0	112.8
521	L	24.1	Very low	28.2	Very low	177 Å²	177	132.4 Å²	132.4	93%	0.927	80%	0.796	S	S	*	*			trans	-70.6	146.9	178.4	-61.8	147.5	0	0	0	112.8
522	A	27.3	Very low	28.3	Very low	106 Å²	106	133.4 Å²	133.4	88%	0.876	80%	0.798	S	S	*	*				-166.8	153.1	127.6	0	0	0	0	0	111.6
523	S	26.5	Very low	28.4	Very low	101 Å²	101	136.8 Å²	136.8	71%	0.706	81%	0.808	S	S	*	*			trans	-117.5	157.2	174.6	173.1	0	0	0	0	109.7
524	V	28	Very low	28.7	Very low	145 Å²	145	131 Å²	131	88%	0.879	80%	0.801	S	S	*	*			trans	-166.4	150.4	135.2	138.4	0	0	0	0	109.8
525	C	26.4	Very low	28.7	Very low	117 Å²	117	134.8 Å²	134.8	79%	0.791	81%	0.806	S	S	*	*			trans	-108.7	165.1	-169.6	-43.5	0	0	0	0	113.7
526	A	29.4	Very low	28.9	Very low	105 Å²	105	137 Å²	137	87%	0.868	81%	0.809	S	S	*	*			trans	-158.2	151.5	145.4	0	0	0	0	0	112.3
527	E	27.7	Very low	28.8	Very low	184 Å²	184	137.6 Å²	137.6	86%	0.86	80%	0.798	S	S	*	*			trans	-125.2	-159.8	179.5	-95.4	-155.5	136.7	0	0	109.4
528	P	40.6	Very low	29.2	Very low	92 Å²	92	139.2 Å²	139.2	60%	0.597	79%	0.793	S	S	*	*				-128.5	-167.5	-71	40.4	-24.8	0	0	0	111.3
529	N	33.2	Very low	29.2	Very low	156 Å²	156	141.1 Å²	141.1	83%	0.834	79%	0.788	S	S	*	*				-172.4	162.5	126.1	-108	-63.9	0	0	0	117.8
530	S	28.6	Very low	29.6	Very low	99 Å²	99	141.3 Å²	141.3	69%	0.692	79%	0.787	S	S	*	*			trans	-81.1	170.4	-168.2	-61	0	0	0	0	117.2
531	L	31.6	Very low	29.6	Very low	152 Å²	152	148.7 Å²	148.7	80%	0.796	79%	0.792	S	S	*	*			trans	146.2	145.9	133.1	-75.9	168.1	0	0	0	111.8
532	K	30.7	Very low	29.7	Very low	167 Å²	167	144.7 Å²	144.7	73%	0.726	79%	0.785	S	S	*	*			cis	-173.8	129.5	-30.8	-130.1	-169.1	-165.9	171.3	0	110.8
533	I	29.1	Very low	29.6	Very low	152 Å²	152	144.6 Å²	144.6	78%	0.779	78%	0.778	S	S	*	*			trans	63.9	152.3	150.3	-64.6	169.2	0	0	0	116.5
534	S	31.2	Very low	29.5	Very low	103 Å²	103	147.5 Å²	147.5	72%	0.72	79%	0.785	S	S	*	*			cis	-139.6	145.4	5.9	33.3	0	0	0	0	109.8
535	R	27.4	Very low	29.5	Very low	219 Å²	219	146.4 Å²	146.4	83%	0.826	78%	0.783	S	S	*	*			cis	90.1	100.1	48.2	-151.6	-166.9	-147.1	174.9	6.3	114.6
536	F	30.8	Very low	29.5	Very low	190 Å²	190	147.8 Å²	147.8	83%	0.833	78%	0.783	S	S	*	*			trans	171	115.3	138.6	-98.1	-72	0	0	0	106.1
537	E	27.7	Very low	29.4	Very low	138 Å²	138	154.4 Å²	154.4	65%	0.645	79%	0.785	S	S	*	*				61.2	135.5	55.2	-64.4	-142.1	132.3	0	0	113.7
538	Q	31.8	Very low	29.4	Very low	150 Å²	150	153.4 Å²	153.4	70%	0.701	79%	0.785	S	S	*	*			cis	-157	143.7	19.7	-138.2	171.7	65.6	0	0	114.9
539	K	28.2	Very low	28.9	Very low	190 Å²	190	155.2 Å²	155.2	83%	0.826	80%	0.8	S	S	*	*			trans	16	153.5	156.5	-73.2	173.4	177.6	168.1	0	124.9
540	P	34.1	Very low	28.7	Very low	119 Å²	119	154 Å²	154	77%	0.773	80%	0.803	S	S	*	*			trans	-98.4	165	176.1	40.3	-36.6	0	0	0	115.3
541	R	28.1	Very low	28.8	Very low	260 Å²	260	153 Å²	153	98%	0.981	81%	0.809	S	S	*	*			trans	-162.2	174.8	148.8	-122.2	172.4	179.1	161.2	-0.6	112.9
542	A	25.2	Very low	28.7	Very low	93 Å²	93	153.8 Å²	153.8	77%	0.769	81%	0.808	S	S	*	*			trans	-120.5	-173.6	-164	0	0	0	0	0	114.8
543	S	24.9	Very low	28.5	Very low	104 Å²	104	152.4 Å²	152.4	73%	0.727	81%	0.808	S	S	*	*			trans	87.3	113.3	163.8	80.8	0	0	0	0	121
544	L	24.1	Very low	28.6	Very low	163 Å²	163	151.6 Å²	151.6	85%	0.853	81%	0.81	S	S	*	*			trans	42.6	116.6	130.9	-69.8	151.9	0	0	0	119.7
545	S	28.7	Very low	28.4	Very low	122 Å²	122	151.2 Å²	151.2	85%	0.853	81%	0.808	S	S	*	*				-176.9	161.9	110.4	43.8	0	0	0	0	114
546	N	26.2	Very low	28.4	Very low	146 Å²	146	147.6 Å²	147.6	78%	0.781	81%	0.805	S	S	*	*			trans	-73.5	153.4	-171.7	-49.1	-43.8	0	0	0	114.5
547	R	27.9	Very low	28.3	Very low	244 Å²	244	144.3 Å²	144.3	92%	0.921	80%	0.804	S	S	*	*				-176.8	160.3	109	-96.5	165.1	-156.6	-105	3.8	113.7
548	L	27.6	Very low	28.1	Very low	163 Å²	163	147.4 Å²	147.4	85%	0.853	82%	0.816	S	S	*	*			trans	-86.9	158.8	-175.7	-49.5	91.4	0	0	0	113.3
549	S	29	Very low	28.2	Very low	130 Å²	130	144.6 Å²	144.6	91%	0.909	81%	0.811	S	S	*	*				-165.9	167.9	129.7	-80.8	0	0	0	0	111.7
550	S	29.1	Very low	28.2	Very low	129 Å²	129	144.1 Å²	144.1	90%	0.902	81%	0.811	S	S	*	*			trans	-118.6	166.7	-161.5	50.4	0	0	0	0	115.1
551	G	31.1	Very low	27.7	Very low	79 Å²	79	142.9 Å²	142.9	81%	0.814	81%	0.805	S	S	*	*			trans	-168.9	56.9	-175.4	0	0	0	0	0	118.9
552	H	30.1	Very low	27.7	Very low	168 Å²	168	138.4 Å²	138.4	78%	0.778	80%	0.8	S	S	*	*			trans	11.4	134.8	153.7	-125.1	32.6	0	0	0	124.7
553	L	27.1	Very low	27.7	Very low	138 Å²	138	137.7 Å²	137.7	72%	0.723	80%	0.801	S	S	*	*			trans	52.6	149.6	142.8	-62.3	179.2	0	0	0	120.8
554	T	30.5	Very low	27.9	Very low	135 Å²	135	139 Å²	139	83%	0.828	80%	0.8	S	S	*	*			cis	-151	-177.9	42.2	38	0	0	0	0	112.8
555	S	27	Very low	28.1	Very low	96 Å²	96	140.2 Å²	140.2	67%	0.671	79%	0.794	S	S	*	*			trans	-105.3	165.1	-177.6	53.2	0	0	0	0	114.2
556	D	27.9	Very low	28	Very low	143 Å²	143	137.5 Å²	137.5	77%	0.765	77%	0.769	S	S	*	*				171.2	149.3	115.3	-84.9	-5	0	0	0	116
557	C	27.1	Very low	28.1	Very low	121 Å²	121	133.6 Å²	133.6	82%	0.818	75%	0.751	S	S	*	*			trans	52.3	109.1	151.5	-65.6	0	0	0	0	124.4
558	F	24.5	Very low	28.1	Very low	203 Å²	203	128.1 Å²	128.1	89%	0.89	74%	0.738	S	S	*	*			trans	-40.9	178.9	135.2	-79.9	-84	0	0	0	115.9
559	P	33.4	Very low	28	Very low	91 Å²	91	127.6 Å²	127.6	59%	0.591	74%	0.736	S	S	*	*			cis	-142.2	-171.5	9.3	23.8	4	0	0	0	117.7
560	H	27.9	Very low	28	Very low	179 Å²	179	124.8 Å²	124.8	83%	0.829	73%	0.728	S	S	*	*			trans	71.6	134.5	147.6	-72	-39.4	0	0	0	120
561	S	25.2	Very low	27.8	Very low	93 Å²	93	128.2 Å²	128.2	65%	0.65	73%	0.73	S	S	*	*			cis	179.7	169.3	12.2	-164.4	0	0	0	0	111.2
562	L	27.1	Very low	27.6	Very low	166 Å²	166	130.3 Å²	130.3	87%	0.869	73%	0.727	S	S	*	*			trans	62.7	108.4	153.6	-77.1	160.5	0	0	0	123.3
563	G	25.6	Very low	27.4	Very low	78 Å²	78	128.4 Å²	128.4	80%	0.804	72%	0.721	S	S	*	*				83	143.7	129.4	0	0	0	0	0	119.1
564	N	28.1	Very low	27.4	Very low	131 Å²	131	126.1 Å²	126.1	70%	0.701	72%	0.717	S	S	*	*			cis	-148	171.8	18.3	-154.4	-5.1	0	0	0	114.3	K1143	N564-K1143 PolarHBondContact O-NZ 3.15Å
565	R	28.3	Very low	27.2	Very low	190 Å²	190	121.7 Å²	121.7	72%	0.717	69%	0.694	S	S	*	*			trans	-59.5	-171.6	-173.3	-69.3	169.9	158.1	-170.7	-5.5	116.8	K1143	R565-K1143 WeakPolarHBondContact O-CD 3.15Å; R565-K1143 WeakPolarHBondContact O-CE 3.49Å; R565-K1143 PolarHBondContact O-NZ 3.04Å
566	N	27.9	Very low	27.2	Very low	64 Å²	64	121.8 Å²	121.8	34%	0.342	69%	0.692	S	S	.	*			trans	152.8	-174.4	142.8	67.5	31.6	0	0	0	113.7	K1143 H1144	N566-K1143 HydrophobicContact CB-CB 4.46Å; N566-H1144 HydrophobicContact CB-CB 3.69Å; N566-H1144 VanDerWaalsContact CB-CG 3.44Å; N566-H1144 WeakPolarHBondContact CB-ND1 3.36Å; N566-H1144 VanDerWaalsContact CG-CB 3.43Å; N566-H1144 PolarHBondContact ND2-CD2 2.91Å; N566-H1144 VanDerWaalsContact ND2-CG 3.32Å; N566-H1144 PolarHBondContact ND2-NE2 3.48Å; N566-H1144 WeakPolarHBondContact OD1-CB 3.43Å
567	V	27.1	Very low	27.1	Very low	64 Å²	64	117.5 Å²	117.5	39%	0.388	68%	0.682	S	S	.	*			trans	-137.6	153.3	-154.8	170.4	0	0	0	0	112.8	K1143 F1145	V567-K1143 PolarHBondContact O-N 3.07Å; V567-F1145 WeakPolarHBondContact CB-O 3.43Å; V567-F1145 WeakPolarHBondContact CG1-O 3.33Å; V567-F1145 WeakPolarHBondContact CG2-O 3.33Å
568	I	28.3	Very low	27	Very low	129 Å²	129	115 Å²	115	66%	0.662	68%	0.677	S	S	*	*				-174.6	123.4	126	-91	160.6	0	0	0	111.3
569	D	26	Very low	27.1	Very low	152 Å²	152	110.7 Å²	110.7	81%	0.813	66%	0.658	S	S	*	*			trans	39.7	147.1	152.5	-50.5	-19.5	0	0	0	124.8
570	G	28.6	Very low	26.7	Very low	71 Å²	71	111.9 Å²	111.9	73%	0.732	67%	0.668	S	S	*	*			trans	137.6	91.4	166	0	0	0	0	0	114.7
571	Q	24.1	Very low	26.5	Very low	202 Å²	202	107.9 Å²	107.9	94%	0.944	67%	0.666	S	S	*	*			trans	-78.8	128.7	172.2	-71.3	177.2	-28.1	0	0	111
572	T	27.1	Very low	26.4	Very low	123 Å²	123	114.6 Å²	114.6	76%	0.755	68%	0.677	S	S	*	*			trans	-142.3	134	171.7	34.8	0	0	0	0	111.4
573	I	26.9	Very low	26.2	Very low	128 Å²	128	112.6 Å²	112.6	66%	0.656	68%	0.676	S	S	*	*			trans	-86.8	124.1	-175.8	-62.8	172.8	0	0	0	109.4
574	S	26.4	Very low	26.1	Very low	89 Å²	89	113.3 Å²	113.3	62%	0.622	67%	0.669	S	S	*	*			trans	-106.4	111.1	-179.7	-62.7	0	0	0	0	111.2
575	A	26.2	Very low	26.1	Very low	43 Å²	43	117 Å²	117	36%	0.355	67%	0.673	S	S	.	*			trans	-99.4	119.6	174.5	0	0	0	0	0	111	G577	A575-G577 PolarHBondContact O-N 3.35Å
576	P	27.2	Very low	26	Very low	97 Å²	97	114 Å²	114	63%	0.63	68%	0.675	S	S	*	*			trans	-78.4	103	-171.9	29.6	-34.4	0	0	0	113.3
577	G	26.6	Very low	25.9	Very low	53 Å²	53	113.5 Å²	113.5	55%	0.546	69%	0.686	S	S	.	*			trans	-101.9	45.8	168.8	0	0	0	0	0	113.3	A575 F579	A575-G577 PolarHBondContact O-N 3.35Å; G577-F579 PolarHBondContact O-N 3.36Å
578	G	24.6	Very low	26	Very low	70 Å²	70	117 Å²	117	72%	0.722	71%	0.709	S	S	*	*			trans	-85.9	103	-168.6	0	0	0	0	0	114.9	S580	G578-S580 PolarHBondContact O-N 2.94Å; G578-S580 VanDerWaalsContact O-N 3.15Å
579	F	27.4	Very low	26	Very low	112 Å²	112	117.7 Å²	117.7	49%	0.491	71%	0.713	S	S	.	*			trans	-67.3	105.5	167.1	-72.9	-89.5	0	0	0	111	G577 A581 L690 P694	G577-F579 PolarHBondContact O-N 3.36Å; F579-A581 PolarHBondContact O-N 3.46Å; F579-L690 HydrophobicContact CE1-CD1 4.43Å; F579-L690 HydrophobicContact CZ-CD1 4.21Å; F579-P694 HydrophobicContact CB-CG 4.14Å; F579-P694 HydrophobicContact CD2-CG 4.48Å
580	S	24.8	Very low	26.1	Very low	115 Å²	115	117.5 Å²	117.5	80%	0.804	71%	0.712	S	S	*	*			trans	-75.5	92	178.5	50.3	0	0	0	0	112.1	G578 W582	G578-S580 PolarHBondContact O-N 2.94Å; G578-S580 VanDerWaalsContact O-N 3.15Å; S580-W582 PolarHBondContact O-N 3.33Å
581	A	23.1	Very low	26.2	Very low	95 Å²	95	119.1 Å²	119.1	79%	0.785	71%	0.71	S	S	*	*			trans	-70.4	95.2	178.7	0	0	0	0	0	112.4	F579	F579-A581 PolarHBondContact O-N 3.46Å
582	W	23.8	Very low	26.3	Very low	234 Å²	234	117.8 Å²	117.8	89%	0.886	70%	0.701	S	S	*	*			trans	-119.8	56.5	174.1	-146.6	-36.3	0	0	0	113.9	S580 S584	S580-W582 PolarHBondContact O-N 3.33Å; W582-S584 VanDerWaalsContact C-N 3.35Å; W582-S584 PolarHBondContact O-N 2.71Å
583	C	23.2	Very low	26.3	Very low	125 Å²	125	119 Å²	119	85%	0.845	70%	0.703	S	S	*	*			trans	-69.6	81.4	172.6	-62.1	0	0	0	0	112.4
584	S	23	Very low	26.5	Very low	93 Å²	93	122.5 Å²	122.5	65%	0.65	72%	0.717	S	S	*	*			trans	-171.5	72.8	159.1	-86.4	0	0	0	0	115.3	W582	W582-S584 VanDerWaalsContact C-N 3.35Å; W582-S584 PolarHBondContact O-N 2.71Å
585	R	26.8	Very low	26.6	Very low	208 Å²	208	123.4 Å²	123.4	79%	0.785	72%	0.723	S	S	*	*	S	Bend	trans	-173	140.6	142	-103.5	154.3	-152.9	-144.6	4.2	113.2
586	V	27.6	Very low	26.8	Very low	126 Å²	126	127.1 Å²	127.1	76%	0.764	74%	0.744	S	S	*	*			trans	37.2	97.3	159.8	-163.5	0	0	0	0	117.8
587	G	26.1	Very low	26.9	Very low	55 Å²	55	131 Å²	131	57%	0.567	76%	0.757	S	S	*	*			trans	-71.8	166.3	162	0	0	0	0	0	112.9	I589	G587-I589 PolarHBondContact O-N 2.67Å
588	P	28.2	Very low	27.1	Very low	136 Å²	136	132 Å²	132	88%	0.883	77%	0.767	S	S	*	*			trans	-67.3	104.5	-171.2	26.5	-35	0	0	0	112.8	N590	P588-N590 PolarHBondContact O-N 3.02Å
589	I	27.9	Very low	27.3	Very low	144 Å²	144	140.3 Å²	140.3	74%	0.738	78%	0.777	S	S	*	*			trans	-73.9	117.9	170.5	-60.5	176.5	0	0	0	108.3	G587 P591	G587-I589 PolarHBondContact O-N 2.67Å; I589-P591 WeakPolarHBondContact O-CD 3.26Å
590	N	29.3	Very low	27.5	Very low	148 Å²	148	144.6 Å²	144.6	79%	0.791	80%	0.798	S	S	*	*			trans	-103.3	102.5	-179.3	-161.1	2.9	0	0	0	109.9	P588 F592	P588-N590 PolarHBondContact O-N 3.02Å; N590-F592 PolarHBondContact O-N 2.9Å
591	P	29.5	Very low	27.5	Very low	106 Å²	106	144 Å²	144	69%	0.688	79%	0.794	S	S	*	*			trans	-100.9	70.7	-165.9	37.9	-31.4	0	0	0	112.3	I589	I589-P591 WeakPolarHBondContact O-CD 3.26Å
592	F	26.4	Very low	28	Very low	173 Å²	173	146.5 Å²	146.5	76%	0.759	79%	0.793	S	S	*	*			trans	-137.4	71.4	177.1	-103.6	-76.3	0	0	0	113.2	N590	N590-F592 PolarHBondContact O-N 2.9Å
593	N	26.9	Very low	28.2	Very low	148 Å²	148	142 Å²	142	79%	0.791	79%	0.786	S	S	*	*			trans	167.9	105.1	138.7	-91.2	-34.3	0	0	0	112.6
594	Q	31	Very low	28.5	Very low	202 Å²	202	144.6 Å²	144.6	94%	0.944	78%	0.783	S	S	*	*			trans	-168.7	151.4	133.4	-108.4	155	82.6	0	0	111.6
595	S	30.1	Very low	28.8	Very low	108 Å²	108	146.8 Å²	146.8	76%	0.755	79%	0.792	S	S	*	*			trans	-91.4	155.5	-172.3	44.2	0	0	0	0	113.1
596	P	29.2	Very low	28.9	Very low	122 Å²	122	139.7 Å²	139.7	79%	0.792	78%	0.784	S	S	*	*			trans	-88.5	141.5	-175.7	34.2	-34.7	0	0	0	113.3
597	I	30.6	Very low	29	Very low	178 Å²	178	140.1 Å²	140.1	91%	0.913	79%	0.787	S	S	*	*			trans	-159	152.2	159.3	-97.8	141.7	0	0	0	108.1
598	G	30.6	Very low	29	Very low	73 Å²	73	144.7 Å²	144.7	75%	0.753	80%	0.799	S	S	*	*			trans	106	66.9	162.4	0	0	0	0	0	117.2
599	R	26.9	Very low	29.1	Very low	246 Å²	246	144.1 Å²	144.1	93%	0.928	79%	0.793	S	S	*	*			trans	-62.5	139.2	157.6	-77.8	176.1	168.2	174.2	-4.8	110.1
600	Q	31.6	Very low	29.1	Very low	201 Å²	201	141.9 Å²	141.9	94%	0.939	79%	0.79	S	S	*	*				-161.4	157.7	110	-105.3	170.6	42.7	0	0	111.2
601	S	26.2	Very low	29	Very low	103 Å²	103	140 Å²	140	72%	0.72	79%	0.788	S	S	*	*			trans	-123.2	166	-176.6	57.2	0	0	0	0	110.2
602	I	32.7	Very low	29	Very low	148 Å²	148	140.8 Å²	140.8	76%	0.759	79%	0.791	S	S	*	*			trans	-178.1	121.6	132	-95	154.2	0	0	0	109.9
603	N	29.5	Very low	29	Very low	138 Å²	138	139.4 Å²	139.4	74%	0.738	80%	0.797	S	S	*	*			trans	21.5	154.2	138.5	-54.8	-38	0	0	0	121.4
604	K	28.3	Very low	29.1	Very low	180 Å²	180	136.1 Å²	136.1	78%	0.783	80%	0.798	S	S	*	*			cis	167.7	160.1	-9.5	-176.6	-178.2	-179.1	179.9	0	105.9
605	V	29.1	Very low	29	Very low	139 Å²	139	129.7 Å²	129.7	84%	0.842	79%	0.786	S	S	*	*			trans	72.4	139	173.3	-163.1	0	0	0	0	114.2
606	G	30	Very low	29	Very low	60 Å²	60	131.8 Å²	131.8	62%	0.619	79%	0.787	S	S	*	*			cis	170	158.9	-11.1	0	0	0	0	0	113.9
607	T	29.6	Very low	28.8	Very low	135 Å²	135	134.6 Å²	134.6	83%	0.828	79%	0.787	S	S	*	*			trans	51.5	113.3	160.3	52.1	0	0	0	0	121
608	N	25.8	Very low	28.6	Very low	151 Å²	151	135.5 Å²	135.5	81%	0.807	78%	0.784	S	S	*	*			trans	-4.3	138.4	142.1	-44.1	-11.4	0	0	0	116.1
609	T	29.1	Very low	28.3	Very low	124 Å²	124	137.7 Å²	137.7	76%	0.761	79%	0.788	S	S	*	*				-167	152.9	67.4	41.1	0	0	0	0	114.8
610	S	27.9	Very low	28.3	Very low	97 Å²	97	130 Å²	130	68%	0.678	78%	0.777	S	S	*	*			trans	51.5	124.4	146.9	62.8	0	0	0	0	122.9
611	S	28.1	Very low	28	Very low	107 Å²	107	128.2 Å²	128.2	75%	0.748	77%	0.773	S	S	*	*			trans	62.2	141.2	142.9	53.9	0	0	0	0	120.6
612	T	28.6	Very low	27.9	Very low	123 Å²	123	129.7 Å²	129.7	76%	0.755	78%	0.777	S	S	*	*			cis	-165.6	141.7	-3.2	-98.4	0	0	0	0	111.1
613	V	28	Very low	27.5	Very low	144 Å²	144	129.3 Å²	129.3	87%	0.873	78%	0.777	S	S	*	*			trans	66.9	124.9	163.3	164.9	0	0	0	0	120.8
614	G	28.7	Very low	27.3	Very low	79 Å²	79	128 Å²	128	81%	0.814	78%	0.779	S	S	*	*			trans	99.5	117.1	149.6	0	0	0	0	0	117.6
615	G	29.5	Very low	27.5	Very low	67 Å²	67	124.5 Å²	124.5	69%	0.691	77%	0.774	S	S	*	*			cis	169	154.6	-11.7	0	0	0	0	0	114.1
616	I	28.6	Very low	27.3	Very low	152 Å²	152	124 Å²	124	78%	0.779	77%	0.772	S	S	*	*			trans	59.9	113	162.1	-21.6	-176.4	0	0	0	115.7
617	F	24.7	Very low	27	Very low	182 Å²	182	129.3 Å²	129.3	80%	0.798	78%	0.781	S	S	*	*				-168.3	152.4	74	-116.1	-73.2	0	0	0	116.1
618	K	26.4	Very low	26.8	Very low	197 Å²	197	130.9 Å²	130.9	86%	0.857	78%	0.783	S	S	*	*			trans	83.6	140.5	160.7	-65.7	-178.7	179.8	179.6	0	120.2
619	S	25.6	Very low	26.8	Very low	119 Å²	119	128.8 Å²	128.8	83%	0.832	78%	0.776	S	S	*	*			trans	83.4	77.4	165	-151.9	0	0	0	0	120
620	A	26	Very low	26.6	Very low	85 Å²	85	129.9 Å²	129.9	70%	0.702	78%	0.777	S	S	*	*			trans	37	107.6	144.2	0	0	0	0	0	119.8
621	L	24.9	Very low	26.5	Very low	162 Å²	162	130.9 Å²	130.9	85%	0.848	78%	0.779	S	S	*	*				71	103.3	99.9	-102.5	77.2	0	0	0	114.1
622	V	24.8	Very low	26.3	Very low	134 Å²	134	132.8 Å²	132.8	81%	0.812	79%	0.786	S	S	*	*			cis	97.7	135.8	34.9	179.1	0	0	0	0	113.4
623	N	25.2	Very low	26.1	Very low	141 Å²	141	130.6 Å²	130.6	75%	0.754	79%	0.787	S	S	*	*			trans	-85.7	142.6	-169.3	-43.3	-47	0	0	0	113.9
624	S	25.1	Very low	26	Very low	111 Å²	111	127.7 Å²	127.7	78%	0.776	79%	0.786	S	S	*	*			trans	61.8	176.4	143.8	76.4	0	0	0	0	118.3
625	P	31.4	Very low	25.8	Very low	106 Å²	106	128.7 Å²	128.7	69%	0.688	79%	0.787	S	S	*	*			cis	-127.6	-167.3	-17.9	29.8	-7.4	0	0	0	112.8
626	T	25	Very low	25.7	Very low	128 Å²	128	133.7 Å²	133.7	79%	0.785	80%	0.797	S	S	*	*			trans	81.2	149.4	150.8	-35.9	0	0	0	0	119.6
627	E	23.4	Very low	25.4	Very low	172 Å²	172	129.4 Å²	129.4	80%	0.804	79%	0.79	S	S	*	*			trans	-66.6	156.7	-172.2	-49.1	168.1	134.4	0	0	115.2
628	L	25.7	Very low	25.4	Very low	168 Å²	168	130 Å²	130	88%	0.88	79%	0.793	S	S	*	*				-157.4	147.1	115.8	-109.2	169.6	0	0	0	112.3
629	T	25.2	Very low	25.3	Very low	106 Å²	106	131.1 Å²	131.1	65%	0.65	79%	0.792	S	S	*	*			trans	-74.4	147.1	-166.7	50.9	0	0	0	0	115.6
630	N	25.3	Very low	25.2	Very low	148 Å²	148	131.2 Å²	131.2	79%	0.791	79%	0.787	S	S	*	*			trans	154	142.4	138.7	-81.1	-17.6	0	0	0	111.1
631	V	25.4	Very low	25.2	Very low	118 Å²	118	135.5 Å²	135.5	72%	0.715	79%	0.79	S	S	*	*			cis	-158.5	148.5	-7	100.2	0	0	0	0	109.6
632	V	24.8	Very low	25.1	Very low	147 Å²	147	135.1 Å²	135.1	89%	0.891	79%	0.789	S	S	*	*			trans	62.1	131.2	171.3	172.4	0	0	0	0	116.9
633	G	24.9	Very low	25.3	Very low	76 Å²	76	133.9 Å²	133.9	78%	0.784	79%	0.786	S	S	*	*			trans	165.6	-22.2	173.6	0	0	0	0	0	118.3
634	G	25.7	Very low	25.2	Very low	83 Å²	83	136.4 Å²	136.4	86%	0.856	79%	0.793	S	S	*	*			trans	54.3	82.4	163.3	0	0	0	0	0	118.8
635	A	24	Very low	25.4	Very low	101 Å²	101	138.7 Å²	138.7	84%	0.835	80%	0.796	S	S	*	*			trans	-98.4	142.4	166.7	0	0	0	0	0	112.1
636	L	27	Very low	25.2	Very low	172 Å²	172	139.2 Å²	139.2	90%	0.901	80%	0.8	S	S	*	*			trans	-140.6	148.3	173.1	-62.6	172.7	0	0	0	108.3
637	G	23.2	Very low	25.4	Very low	61 Å²	61	140.7 Å²	140.7	63%	0.629	80%	0.801	S	S	*	*			cis	157.3	40.1	-1.3	0	0	0	0	0	113.2
638	F	24.8	Very low	25.7	Very low	195 Å²	195	138.1 Å²	138.1	86%	0.855	80%	0.799	S	S	*	*			trans	-62.9	133.9	-166.2	-63.6	-75.2	0	0	0	114.3
639	R	24.2	Very low	25.9	Very low	221 Å²	221	137.4 Å²	137.4	83%	0.834	80%	0.796	S	S	*	*			trans	-121	135.9	160	-76.3	-177.1	173	-117.7	-1	108.4
640	T	22.8	Very low	26.1	Very low	120 Å²	120	139.9 Å²	139.9	74%	0.736	80%	0.803	S	S	*	*			trans	-71	143	167	44.2	0	0	0	0	110.8
641	F	25.8	Very low	26.2	Very low	175 Å²	175	138.7 Å²	138.7	77%	0.768	79%	0.794	S	S	*	*			trans	-142.3	117.8	165.9	-99.1	-77.4	0	0	0	109.3
642	N	22.8	Very low	26.4	Very low	155 Å²	155	137.1 Å²	137.1	83%	0.829	79%	0.793	S	S	*	*			trans	-75.4	132.8	167.4	-57.7	5.6	0	0	0	108.2
643	S	28.7	Very low	26.7	Very low	107 Å²	107	136.6 Å²	136.6	75%	0.748	79%	0.785	S	S	*	*			trans	-150.4	103.7	164.6	57	0	0	0	0	110.4
644	E	24.5	Very low	26.9	Very low	194 Å²	194	140.2 Å²	140.2	91%	0.907	78%	0.779	S	S	*	*			trans	-66.2	127.4	176.4	-58.9	163.7	121.1	0	0	110.4
645	L	28.2	Very low	27.2	Very low	160 Å²	160	146.3 Å²	146.3	84%	0.838	78%	0.783	S	S	*	*			trans	-137.1	146.4	160.9	-77.1	178.2	0	0	0	109.9
646	P	27.6	Very low	27.3	Very low	117 Å²	117	148.3 Å²	148.3	76%	0.76	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-93.7	137.1	-155.5	-5.2	25.9	0	0	0	113.5
647	I	28.9	Very low	27.4	Very low	158 Å²	158	146.8 Å²	146.8	81%	0.81	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-72.8	128.8	165.1	-62.4	168.2	0	0	0	108.8	N649	I647-N649 PolarHBondContact O-N 2.99Å
648	P	30.7	Very low	27.7	Very low	119 Å²	119	149.3 Å²	149.3	77%	0.773	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-66.4	130.2	174.5	-22.2	34.5	0	0	0	112.5
649	N	29.5	Very low	27.8	Very low	152 Å²	152	144.4 Å²	144.4	81%	0.813	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-82.6	116.2	-172.6	-124.3	-8.3	0	0	0	112.7	I647	I647-N649 PolarHBondContact O-N 2.99Å
650	M	28.4	Very low	28.1	Very low	159 Å²	159	141 Å²	141	78%	0.783	76%	0.761	S	S	*	*			trans	-148.8	120	161.3	-66.1	-171.8	75.1	0	0	108
651	M	28.9	Very low	28.1	Very low	123 Å²	123	144.2 Å²	144.2	61%	0.606	77%	0.767	S	S	*	*			cis	-135.2	156.6	-5.6	-69.2	178.9	167.3	0	0	109.3	F1099	M651-F1099 HydrophobicContact CE-CE1 4.4Å; M651-F1099 HydrophobicContact CE-CZ 4.06Å; M651-F1099 HydrophobicContact SD-CE1 4Å; M651-F1099 HydrophobicContact SD-CZ 3.7Å
652	A	28.6	Very low	28.5	Very low	85 Å²	85	141.6 Å²	141.6	70%	0.702	77%	0.768	S	S	*	*			trans	-133.7	126.3	176.1	0	0	0	0	0	111.7
653	D	31	Very low	28.8	Very low	135 Å²	135	144.3 Å²	144.3	72%	0.722	77%	0.772	S	S	*	*			trans	-170.9	125.9	170.3	-132.3	46	0	0	0	106.5
654	K	30.3	Very low	28.9	Very low	152 Å²	152	143.2 Å²	143.2	66%	0.661	78%	0.777	S	S	*	*			cis	-156.2	144.2	-7.1	-103	163.1	-179.9	83.4	0	106.5
655	F	30.6	Very low	29.2	Very low	212 Å²	212	137.7 Å²	137.7	93%	0.93	77%	0.773	S	S	*	*				-161.1	140.1	128.4	-109	-69.9	0	0	0	109.8
656	I	27.8	Very low	29.2	Very low	143 Å²	143	137.2 Å²	137.2	73%	0.733	77%	0.771	S	S	*	*			trans	-131	121.1	-179.3	-64.4	170.2	0	0	0	105.4
657	D	29.1	Very low	29.3	Very low	140 Å²	140	136.8 Å²	136.8	75%	0.749	76%	0.762	S	S	*	*				-163.7	146.5	123.7	-118.1	-35.9	0	0	0	115.8
658	T	28.2	Very low	29.5	Very low	113 Å²	113	133.5 Å²	133.5	69%	0.693	75%	0.749	S	S	*	*			trans	-15.6	150.3	154.3	47.7	0	0	0	0	119.4
659	S	27	Very low	29.3	Very low	92 Å²	92	134.4 Å²	134.4	64%	0.643	76%	0.755	S	S	*	*			cis	-179.8	176.1	1.7	51.1	0	0	0	0	114.5
660	I	30	Very low	29.2	Very low	151 Å²	151	130.8 Å²	130.8	77%	0.774	75%	0.753	S	S	*	*			trans	78.6	105.3	158.4	-59.2	151.8	0	0	0	118.3
661	E	24.5	Very low	29	Very low	187 Å²	187	127.8 Å²	127.8	87%	0.874	76%	0.763	S	S	*	*			trans	-122.5	139.8	139.1	-91.5	-151.5	143	0	0	109.7
662	P	34	Very low	28.8	Very low	119 Å²	119	125 Å²	125	77%	0.773	77%	0.766	S	S	*	*			trans	-92.5	123.8	173	33.8	-30.4	0	0	0	112.7
663	K	28.6	Very low	28.6	Very low	213 Å²	213	126.3 Å²	126.3	93%	0.926	77%	0.77	S	S	*	*			trans	-78.7	139.4	-177.2	-66.4	178.2	176.6	179	0	114.6
664	G	30.2	Very low	28.4	Very low	83 Å²	83	124.8 Å²	124.8	86%	0.856	77%	0.77	S	S	*	*				89.1	150.6	116.8	0	0	0	0	0	119.3
665	G	30.8	Very low	28.2	Very low	78 Å²	78	122.5 Å²	122.5	80%	0.804	77%	0.773	S	S	*	*			trans	174.7	34.2	-177	0	0	0	0	0	117
666	N	29.2	Very low	28	Very low	150 Å²	150	118.7 Å²	118.7	80%	0.802	77%	0.767	S	S	*	*			trans	1.4	139.6	157.2	-74.1	-6.5	0	0	0	120.2
667	L	29.8	Very low	28.1	Very low	109 Å²	109	117.4 Å²	117.4	57%	0.571	77%	0.767	S	S	*	*			trans	-151	124.9	132.6	-80.5	-165.4	0	0	0	114.5	K1042	L667-K1042 HydrophobicContact CD1-CD 4.34Å; L667-K1042 HydrophobicContact CD2-CB 4.24Å; L667-K1042 HydrophobicContact CD2-CD 3.56Å; L667-K1042 HydrophobicContact CD2-CG 3.62Å
668	T	31.6	Very low	27.9	Very low	89 Å²	89	113.6 Å²	113.6	55%	0.546	76%	0.76	S	S	.	*			trans	70.3	139.8	141.8	60	0	0	0	0	121	I1041	T668-I1041 WeakPolarHBondContact CG2-O 3.39Å
669	P	27.8	Very low	27.9	Very low	138 Å²	138	115.6 Å²	115.6	90%	0.896	77%	0.767	S	S	*	*			trans	-90.9	130.3	-174.8	35.1	-33.6	0	0	0	113.8
670	G	26.9	Very low	27.9	Very low	75 Å²	75	115 Å²	115	77%	0.773	78%	0.775	S	S	*	*			trans	-127.1	154.2	167	0	0	0	0	0	110.5	G672	G670-G672 PolarHBondContact O-N 2.94Å
671	G	24	Very low	27.8	Very low	96 Å²	96	112.6 Å²	112.6	99%	0.99	77%	0.772	S	S	*	*			trans	-69.8	128.7	-173.9	0	0	0	0	0	113.7
672	G	26	Very low	28	Very low	65 Å²	65	105.1 Å²	105.1	67%	0.67	74%	0.741	S	S	*	*			trans	-160.5	123	170.4	0	0	0	0	0	109.6	G670 S674	G670-G672 PolarHBondContact O-N 2.94Å; G672-S674 PolarHBondContact O-N 3.03Å
673	S	24.2	Very low	27.7	Very low	113 Å²	113	101.1 Å²	101.1	79%	0.79	72%	0.716	S	S	*	*			trans	-91.1	74.7	-172.1	53.4	0	0	0	0	112.1	S675	S673-S675 PolarHBondContact O-N 2.97Å
674	S	26.7	Very low	27.7	Very low	103 Å²	103	95 Å²	95	72%	0.72	70%	0.699	S	S	*	*			trans	-85.8	96.7	173.1	45.6	0	0	0	0	111.5	G672 T676	G672-S674 PolarHBondContact O-N 3.03Å; S674-T676 PolarHBondContact O-N 3.42Å
675	S	26.5	Very low	28	Very low	103 Å²	103	92.8 Å²	92.8	72%	0.72	67%	0.669	S	S	*	*			trans	-74.2	89.1	173.5	55.8	0	0	0	0	111.3	S673 T677	S673-S675 PolarHBondContact O-N 2.97Å; S675-T677 VanDerWaalsContact C-N 3.33Å; S675-T677 PolarHBondContact O-N 2.76Å
676	T	25.1	Very low	27.9	Very low	132 Å²	132	92.1 Å²	92.1	81%	0.81	65%	0.65	S	S	*	*			trans	-74.7	84	167.4	48.2	0	0	0	0	110	S674 G678	S674-T676 PolarHBondContact O-N 3.42Å; T676-G678 PolarHBondContact O-N 2.92Å
677	T	30.3	Very low	28	Very low	117 Å²	117	87.5 Å²	87.5	72%	0.718	63%	0.625	S	S	*	*			trans	-81.7	96	173	50.2	0	0	0	0	110.1	S675	S675-T677 VanDerWaalsContact C-N 3.33Å; S675-T677 PolarHBondContact O-N 2.76Å
678	G	25.8	Very low	28.2	Very low	60 Å²	60	86.7 Å²	86.7	62%	0.619	63%	0.634	S	S	*	*			trans	-75.9	-175.1	159	0	0	0	0	0	112.1	T676	T676-G678 PolarHBondContact O-N 2.92Å
679	D	27.5	Very low	28.5	Very low	155 Å²	155	90.3 Å²	90.3	83%	0.829	65%	0.645	S	S	*	*	S	Bend	trans	70.5	112.2	165.6	-54.3	-19.5	0	0	0	119.3	S681	D679-S681 PolarHBondContact O-N 2.93Å
680	G	26.9	Very low	28.9	Very low	78 Å²	78	85.3 Å²	85.3	80%	0.804	61%	0.61	S	S	*	*			trans	81.2	-19.8	137.6	0	0	0	0	0	119.3	A682	G680-A682 PolarHBondContact O-N 3.44Å
681	S	28	Very low	29.6	Very low	102 Å²	102	85 Å²	85	71%	0.713	60%	0.596	S	S	*	*			trans	-81.8	83.5	-177.6	-62.3	0	0	0	0	112.1	D679	D679-S681 PolarHBondContact O-N 2.93Å
682	A	27.9	Very low	30.9	Very low	29 Å²	29	80.9 Å²	80.9	24%	0.24	55%	0.551	C	S	.	*	P	Polyproline II helix	trans	-59.1	142.3	172.4	0	0	0	0	0	111.4	T333 N383 G680 C684	T333-A682 HydrophobicContact CG2-CB 4.04Å; N383-A682 HydrophobicContact CB-CB 3.74Å; N383-A682 WeakPolarHBondContact ND2-CB 3.25Å; G680-A682 PolarHBondContact O-N 3.44Å; A682-C684 PolarHBondContact O-N 2.78Å
683	P	28.5	Very low	32	Very low	36 Å²	36	80.1 Å²	80.1	23%	0.234	54%	0.536	C	S	.	.	P	Polyproline II helix	trans	-72	131.1	-174.9	30.4	-35.8	0	0	0	111.5	M155 A156 G157 T685	M155-P683 HydrophobicContact CB-CB 3.79Å; M155-P683 HydrophobicContact CB-CG 4.33Å; M155-P683 HydrophobicContact CG-CB 4.46Å; A156-P683 WeakPolarHBondContact O-CG 3.21Å; G157-P683 VanDerWaalsContact C-CG 3.44Å; P683-T685 PolarHBondContact O-N 3.44Å
684	C	29.4	Very low	33.4	Very low	84 Å²	84	77.7 Å²	77.7	57%	0.568	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-76	116.4	170.5	-68.1	0	0	0	0	109.2	A682	A682-C684 PolarHBondContact O-N 2.78Å
685	T	35.6	Very low	34.5	Very low	37 Å²	37	76.3 Å²	76.3	23%	0.227	51%	0.512	C	S	.	.	P	Polyproline II helix	trans	-50.7	143	167.4	34	0	0	0	0	110.9	H159 P683 L687	H159-T685 WeakPolarHBondContact CE1-CG2 3.33Å; P683-T685 PolarHBondContact O-N 3.44Å; T685-L687 PolarHBondContact O-N 3.24Å
686	P	28.4	Very low	36.1	Very low	64 Å²	64	73.7 Å²	73.7	42%	0.416	49%	0.494	S	S	.	.			trans	-72.5	85	-155.1	25.8	-35.7	0	0	0	114.5	A688	P686-A688 HydrophobicContact CB-CB 4.44Å; P686-A688 PolarHBondContact O-N 3.34Å; P686-A688 VanDerWaalsContact O-N 3.15Å
687	L	31.9	Very low	37.9	Very low	52 Å²	52	67.7 Å²	67.7	27%	0.272	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-71.4	10.1	159.7	-59	-177.9	0	0	0	112.6	T685 H689 L690 L737	T685-L687 PolarHBondContact O-N 3.24Å; L687-H689 PolarHBondContact O-N 3.24Å; L687-L690 HydrophobicContact CB-CD1 4.3Å; L687-L690 VanDerWaalsContact O-CG 3.31Å; L687-L690 WeakPolarHBondContact O-CG 3.49Å; L687-L690 PolarHBondContact O-N 2.91Å; L687-L690 VanDerWaalsContact O-N 3.13Å; L687-L737 HydrophobicContact CD1-CD1 3.74Å; L687-L737 HydrophobicContact CD2-CD1 3.51Å; L687-L737 HydrophobicContact CG-CD1 4.1Å
688	A	34.4	Very low	39.6	Very low	93 Å²	93	67.2 Å²	67.2	77%	0.769	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-58.5	-7	170.4	0	0	0	0	0	114.3	P686	P686-A688 HydrophobicContact CB-CB 4.44Å; P686-A688 PolarHBondContact O-N 3.34Å; P686-A688 VanDerWaalsContact O-N 3.15Å
689	H	36.9	Very low	41.6	Very low	165 Å²	165	72.5 Å²	72.5	76%	0.764	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-83.1	-4.4	173.8	-110.7	-68.7	0	0	0	114.9	L687	L687-H689 PolarHBondContact O-N 3.24Å
690	L	36.6	Very low	44	Very low	33 Å²	33	69 Å²	69	17%	0.173	44%	0.44	C	S	.	.			trans	-69.6	127.7	176.3	-68.1	174.9	0	0	0	111.7	F579 L687 L692 L737 P742	F579-L690 HydrophobicContact CE1-CD1 4.43Å; F579-L690 HydrophobicContact CZ-CD1 4.21Å; L687-L690 HydrophobicContact CB-CD1 4.3Å; L687-L690 VanDerWaalsContact O-CG 3.31Å; L687-L690 WeakPolarHBondContact O-CG 3.49Å; L687-L690 PolarHBondContact O-N 2.91Å; L687-L690 VanDerWaalsContact O-N 3.13Å; L690-L692 HydrophobicContact CB-CB 4.11Å; L690-L692 HydrophobicContact CB-CG 4.47Å; L690-L692 HydrophobicContact CD2-CD1 4.3Å; L690-L692 PolarHBondContact O-N 3.49Å; L690-L737 HydrophobicContact CD1-CD1 4.09Å; L690-L737 HydrophobicContact CD1-CD2 4.33Å; L690-L737 HydrophobicContact CD2-CD1 3.95Å; L690-L737 HydrophobicContact CD2-CD2 3.84Å; L690-L737 HydrophobicContact CD2-CG 4.43Å; L690-L737 HydrophobicContact CG-CD1 4.35Å; L690-P742 WeakPolarHBondContact CD2-O 3.48Å
691	S	41.3	Very low	46.8	Very low	67 Å²	67	69.8 Å²	69.8	47%	0.469	43%	0.431	S	S	.	.	S	Bend	trans	-73.1	-7	169.1	102.9	0	0	0	0	112.9	S693 S696 D743	S691-S693 PolarHBondContact O-N 3.48Å; S691-S696 WeakPolarHBondContact O-CB 3.39Å; S691-S696 PolarHBondContact O-OG 2.9Å; S691-D743 VanDerWaalsContact CB-OD1 3.3Å; S691-D743 WeakPolarHBondContact CB-OD1 3.24Å; S691-D743 PolarHBondContact OG-OD1 2.88Å
692	L	50.8	Low	49.7	Very low	10 Å²	10	68.2 Å²	68.2	5%	0.052	42%	0.417	C	S	.	.			trans	-66.2	46.9	172.5	-56.3	-176.1	0	0	0	113.5	L690 L697 D743 A745	L690-L692 HydrophobicContact CB-CB 4.11Å; L690-L692 HydrophobicContact CB-CG 4.47Å; L690-L692 HydrophobicContact CD2-CD1 4.3Å; L690-L692 PolarHBondContact O-N 3.49Å; L692-L697 HydrophobicContact CB-CD1 3.8Å; L692-L697 HydrophobicContact CB-CG 4.41Å; L692-L697 HydrophobicContact CD2-CD1 4.21Å; L692-L697 HydrophobicContact CD2-CD2 4.07Å; L692-L697 HydrophobicContact CD2-CG 4.06Å; L692-L697 HydrophobicContact CG-CD1 4.48Å; L692-D743 HydrophobicContact CD2-CB 4.28Å; L692-A745 HydrophobicContact CD1-CB 4.12Å
693	S	49.2	Very low	52.8	Low	50 Å²	50	72 Å²	72	35%	0.35	43%	0.425	S	S	.	.			trans	-57.7	144.1	161.5	89.3	0	0	0	0	108.7	S691 A695 S696 L697	S691-S693 PolarHBondContact O-N 3.48Å; S693-A695 PolarHBondContact O-N 2.64Å; S693-A695 VanDerWaalsContact O-N 3.15Å; S693-S696 WeakPolarHBondContact O-CA 3.42Å; S693-S696 VanDerWaalsContact O-CB 3.27Å; S693-S696 WeakPolarHBondContact O-CB 3.36Å; S693-S696 PolarHBondContact O-N 1.82Å; S693-S696 PolarHBondContact OG-N 3.46Å; S693-S696 VanDerWaalsContact OG-N 3.12Å; S693-S696 PolarHBondContact OG-OG 2.97Å; S693-L697 PolarHBondContact O-N 2.87Å; S693-L697 VanDerWaalsContact O-N 3.15Å
694	P	53.9	Low	56	Low	62 Å²	62	75.5 Å²	75.5	40%	0.403	44%	0.441	S	S	.	.	H	α-helix	trans	-53	-39	178.6	-29.7	36.1	0	0	0	112.8	F579 S696 L697 D698	F579-P694 HydrophobicContact CB-CG 4.14Å; F579-P694 HydrophobicContact CD2-CG 4.48Å; P694-S696 VanDerWaalsContact C-N 3.34Å; P694-S696 PolarHBondContact O-N 3.11Å; P694-L697 PolarHBondContact O-N 3.15Å; P694-L697 VanDerWaalsContact O-N 3.13Å; P694-D698 PolarHBondContact O-N 2.65Å
695	A	49.1	Very low	59.1	Low	73 Å²	73	72 Å²	72	60%	0.603	42%	0.416	S	S	*	.	H	α-helix	trans	-65.2	-30.3	175.7	0	0	0	0	0	114.1	S693	S693-A695 PolarHBondContact O-N 2.64Å; S693-A695 VanDerWaalsContact O-N 3.15Å
696	S	59.9	Low	61.9	Low	48 Å²	48	76 Å²	76	34%	0.336	44%	0.436	S	S	.	.	H	α-helix	trans	-67.7	-40.9	171.6	-49.5	0	0	0	0	111	S691 S693 P694	S691-S696 WeakPolarHBondContact O-CB 3.39Å; S691-S696 PolarHBondContact O-OG 2.9Å; S693-S696 WeakPolarHBondContact O-CA 3.42Å; S693-S696 VanDerWaalsContact O-CB 3.27Å; S693-S696 WeakPolarHBondContact O-CB 3.36Å; S693-S696 PolarHBondContact O-N 1.82Å; S693-S696 PolarHBondContact OG-N 3.46Å; S693-S696 VanDerWaalsContact OG-N 3.12Å; S693-S696 PolarHBondContact OG-OG 2.97Å; P694-S696 VanDerWaalsContact C-N 3.34Å; P694-S696 PolarHBondContact O-N 3.11Å
697	L	64.4	Low	65.1	Low	7 Å²	7	75.2 Å²	75.2	4%	0.037	43%	0.425	C	S	.	.	H	α-helix	trans	-77.9	-37.9	-172.3	-90.3	162.9	0	0	0	113.5	L692 S693 P694 M699 M700 R767 W770	L692-L697 HydrophobicContact CB-CD1 3.8Å; L692-L697 HydrophobicContact CB-CG 4.41Å; L692-L697 HydrophobicContact CD2-CD1 4.21Å; L692-L697 HydrophobicContact CD2-CD2 4.07Å; L692-L697 HydrophobicContact CD2-CG 4.06Å; L692-L697 HydrophobicContact CG-CD1 4.48Å; S693-L697 PolarHBondContact O-N 2.87Å; S693-L697 VanDerWaalsContact O-N 3.15Å; P694-L697 PolarHBondContact O-N 3.15Å; P694-L697 VanDerWaalsContact O-N 3.13Å; L697-M699 PolarHBondContact O-N 3.2Å; L697-M699 VanDerWaalsContact O-N 3.12Å; L697-M700 WeakPolarHBondContact O-CB 3.17Å; L697-M700 PolarHBondContact O-N 2.91Å; L697-R767 HydrophobicContact CD2-CG 4.18Å; L697-R767 WeakPolarHBondContact O-CD 3.31Å; L697-W770 HydrophobicContact CD1-CE3 3.4Å; L697-W770 HydrophobicContact CD1-CZ3 3.56Å; L697-W770 HydrophobicContact CD2-CB 4.31Å; L697-W770 HydrophobicContact CD2-CE3 3.94Å; L697-W770 HydrophobicContact CG-CE3 4.3Å
698	D	65.9	Low	68.1	Low	107 Å²	107	72.8 Å²	72.8	57%	0.572	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-12.5	179.2	-72.6	-25.2	0	0	0	113.4	P694 R767	P694-D698 PolarHBondContact O-N 2.65Å; D698-R767 IonicContact OD1-CZ 2.74Å; D698-R767 IonicContact OD1-NH1 3.56Å; D698-R767 PolarHBondContact OD1-NH1 3.43Å
699	M	68.2	Low	71	Confident	171 Å²	171	68.8 Å²	68.8	84%	0.842	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-5.1	169.9	-60.6	-166.9	72.5	0	0	113.9	L697	L697-M699 PolarHBondContact O-N 3.2Å; L697-M699 VanDerWaalsContact O-N 3.12Å
700	M	77.2	Confident	73.8	Confident	81 Å²	81	61.1 Å²	61.1	40%	0.399	34%	0.343	S	S	.	.	S	Bend	trans	-97.9	145.5	-176.6	-67.7	-155.3	174	0	0	113.6	L697 T702 R767 P769	L697-M700 WeakPolarHBondContact O-CB 3.17Å; L697-M700 PolarHBondContact O-N 2.91Å; M700-T702 PolarHBondContact O-N 2.97Å; M700-R767 HydrophobicContact CB-CG 4.26Å; M700-P769 VanDerWaalsContact SD-CD 3.51Å
701	P	85	Confident	76.6	Confident	95 Å²	95	61.4 Å²	61.4	62%	0.617	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-65.3	134.6	179	27.4	-34.9	0	0	0	111.5	G768	P701-G768 PolarHBondContact O-N 2.94Å
702	T	89.8	Confident	79.1	Confident	68 Å²	68	58.4 Å²	58.4	42%	0.417	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	138.1	172.2	-57.1	0	0	0	0	109.8	M700 V765 A766 R767	M700-T702 PolarHBondContact O-N 2.97Å; T702-V765 HydrophobicContact CG2-CG1 3.46Å; T702-V765 VanDerWaalsContact CG2-CG1 3.46Å; T702-A766 CarbonylContact C-O 3.44Å; T702-A766 WeakPolarHBondContact CA-O 3.45Å; T702-R767 PolarHBondContact OG1-NE 2.95Å; T702-R767 PolarHBondContact OG1-NH2 3.11Å
703	R	92.4	Very high	81.1	Confident	110 Å²	110	58 Å²	58	42%	0.415	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	128.2	-179.8	-65.1	178.5	-75	170.8	-5	109.3	W394 V765 A766 G768	W394-R703 VanDerWaalsContact CH2-NH2 3.33Å; R703-V765 CarbonylContact O-C 3.58Å; R703-V765 WeakPolarHBondContact O-CA 3.04Å; R703-A766 PolarHBondContact N-O 2.85Å; R703-A766 PolarHBondContact O-N 3.25Å; R703-G768 PolarHBondContact NH2-O 3.07Å
704	I	95.4	Very high	83	Confident	108 Å²	108	59.4 Å²	59.4	55%	0.554	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	147.4	165.6	-60.7	158.3	0	0	0	107.6	T762 V765	I704-T762 HydrophobicContact CD1-CG2 3.98Å; I704-T762 HydrophobicContact CG1-CG2 4.29Å; I704-T762 HydrophobicContact CG2-CG2 4.05Å; I704-V765 HydrophobicContact CG1-CG2 4.14Å
705	I	95.6	Very high	84.5	Confident	11 Å²	11	61.8 Å²	61.8	6%	0.056	32%	0.323	C	S	.	.			trans	-127.1	116.5	-177.1	-60.7	171.9	0	0	0	109.2	W394 P396 Y707 L708 Y764 A766 L771	W394-I705 HydrophobicContact CE3-CD1 4Å; W394-I705 HydrophobicContact CH2-CD1 4.15Å; W394-I705 HydrophobicContact CZ3-CD1 3.47Å; W394-I705 VanDerWaalsContact CZ3-CD1 3.47Å; P396-I705 HydrophobicContact CB-CG2 3.99Å; I705-Y707 VanDerWaalsContact CG2-O 3.23Å; I705-Y707 WeakPolarHBondContact CG2-O 3.38Å; I705-L708 HydrophobicContact CD1-CD1 4.27Å; I705-L708 HydrophobicContact CG2-CB 4.08Å; I705-L708 HydrophobicContact CG2-CD1 4.29Å; I705-Y764 PolarHBondContact N-O 3.38Å; I705-A766 HydrophobicContact CD1-CB 4.28Å; I705-L771 HydrophobicContact CD1-CD1 3.91Å
706	D	93.6	Very high	86.4	Confident	120 Å²	120	58.3 Å²	58.3	64%	0.642	30%	0.295	S	S	*	.	S	Bend	trans	-74.3	-38.3	-176.5	-55.3	-26.9	0	0	0	112.7	H808	D706-H808 WeakPolarHBondContact O-CB 3.19Å; D706-H808 PolarHBondContact O-ND1 3Å
707	Y	95.2	Very high	87.8	Confident	49 Å²	49	56 Å²	56	19%	0.192	28%	0.279	C	S	.	.	S	Bend	trans	-134.2	127.5	178.5	-69	-106.5	0	0	0	109.4	P396 I397 I399 L402 I705 H808	P396-Y707 WeakPolarHBondContact CA-O 3.47Å; I397-Y707 PolarHBondContact N-O 3.33Å; I399-Y707 HydrophobicContact CB-CD1 4.27Å; I399-Y707 HydrophobicContact CB-CE1 3.51Å; I399-Y707 HydrophobicContact CD1-CE1 4.41Å; I399-Y707 HydrophobicContact CG1-CE1 3.9Å; L402-Y707 HydrophobicContact CD2-CD1 4.31Å; I705-Y707 VanDerWaalsContact CG2-O 3.23Å; I705-Y707 WeakPolarHBondContact CG2-O 3.38Å; Y707-H808 WeakPolarHBondContact CA-O 3.48Å; Y707-H808 HydrophobicContact CD1-CB 3.56Å; Y707-H808 AromaticContact CD1-CG 3.86Å; Y707-H808 HydrophobicContact CD2-CB 4.41Å; Y707-H808 HydrophobicContact CE1-CB 3.85Å; Y707-H808 AromaticContact CE1-CD2 3.42Å; Y707-H808 VanDerWaalsContact CE1-CD2 3.42Å; Y707-H808 WeakPolarHBondContact CE1-CD2 3.37Å; Y707-H808 AromaticContact CE1-CG 3.64Å; Y707-H808 AromaticContact CE2-ND1 4Å; Y707-H808 HydrophobicContact CG-CB 3.84Å; Y707-H808 AromaticContact CZ-CD2 3.47Å; Y707-H808 VanDerWaalsContact CZ-CD2 3.47Å; Y707-H808 AromaticContact CZ-CE1 3.94Å; Y707-H808 AromaticContact CZ-CG 3.75Å; Y707-H808 AromaticContact CZ-NE2 3.61Å; Y707-H808 PolarHBondContact OH-NE2 3.26Å
708	L	96.5	Very high	89	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.1	-168.5	177.7	63.1	0	0	0	112.1	W394 I705 V710 Y764 L771 I773 H808 L809 R810	W394-L708 HydrophobicContact CB-CD1 4.41Å; I705-L708 HydrophobicContact CD1-CD1 4.27Å; I705-L708 HydrophobicContact CG2-CB 4.08Å; I705-L708 HydrophobicContact CG2-CD1 4.29Å; L708-V710 HydrophobicContact CD1-CG2 4.22Å; L708-V710 HydrophobicContact CD2-CG2 4Å; L708-V710 HydrophobicContact CG-CG2 3.88Å; L708-Y764 HydrophobicContact CB-CD2 3.91Å; L708-Y764 HydrophobicContact CB-CE2 4.39Å; L708-Y764 HydrophobicContact CB-CG 4.12Å; L708-Y764 HydrophobicContact CD2-CD1 3.76Å; L708-Y764 HydrophobicContact CD2-CD2 4.39Å; L708-Y764 HydrophobicContact CD2-CE1 4.41Å; L708-Y764 HydrophobicContact CD2-CG 3.79Å; L708-L771 HydrophobicContact CD1-CD2 3.91Å; L708-L771 HydrophobicContact CD2-CD2 4.04Å; L708-I773 HydrophobicContact CD2-CD1 3.74Å; L708-I773 HydrophobicContact CD2-CG1 3.9Å; L708-H808 PolarHBondContact N-O 3.47Å; L708-L809 HydrophobicContact CB-CD1 4.01Å; L708-L809 HydrophobicContact CD2-CD1 3.83Å; L708-L809 HydrophobicContact CG-CD1 3.95Å; L708-R810 PolarHBondContact O-N 3.32Å
709	D	95	Very high	90.1	Very high	10 Å²	10	55.7 Å²	55.7	5%	0.053	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	125.8	170.6	-164.8	21.8	0	0	0	109.7	W394 A395 I397 H711 R810	W394-D709 CarbonylContact C-O 3.57Å; W394-D709 VanDerWaalsContact CA-O 3.23Å; W394-D709 WeakPolarHBondContact CA-O 3.39Å; A395-D709 PolarHBondContact N-O 3Å; A395-D709 PolarHBondContact O-N 2.88Å; I397-D709 HydrophobicContact CB-CB 4.4Å; I397-D709 HydrophobicContact CD1-CB 3.8Å; I397-D709 HydrophobicContact CG1-CB 3.93Å; I397-D709 HydrophobicContact CG2-CB 3.6Å; D709-H711 VanDerWaalsContact CG-NE2 3.25Å; D709-H711 IonicContact OD1-CD2 3.67Å; D709-H711 IonicContact OD1-NE2 2.76Å; D709-H711 PolarHBondContact OD1-NE2 2.89Å; D709-H711 IonicContact OD2-CD2 3.35Å; D709-H711 IonicContact OD2-CE1 3.04Å; D709-H711 IonicContact OD2-NE2 3.56Å; D709-H711 PolarHBondContact OD2-NE2 3.29Å; D709-R810 VanDerWaalsContact CG-NH2 3.29Å; D709-R810 WeakPolarHBondContact OD1-CG 3.43Å; D709-R810 IonicContact OD1-CZ 3.41Å; D709-R810 IonicContact OD1-NE 2.74Å; D709-R810 PolarHBondContact OD1-NE 3.32Å; D709-R810 IonicContact OD1-NH2 2.75Å; D709-R810 IonicContact OD2-CZ 2.77Å; D709-R810 IonicContact OD2-NE 3.33Å; D709-R810 IonicContact OD2-NH2 2.74Å; D709-R810 PolarHBondContact OD2-NH2 3.35Å
710	V	95.9	Very high	91.3	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.024	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.2	178.7	-175.6	0	0	0	0	109.5	W394 L708 L712 I746 I773 R810 I811 C812	W394-V710 HydrophobicContact CB-CG2 4.49Å; L708-V710 HydrophobicContact CD1-CG2 4.22Å; L708-V710 HydrophobicContact CD2-CG2 4Å; L708-V710 HydrophobicContact CG-CG2 3.88Å; V710-L712 HydrophobicContact CG1-CD2 3.85Å; V710-L712 HydrophobicContact CG1-CG 4.11Å; V710-I746 HydrophobicContact CG1-CD1 3.78Å; V710-I773 HydrophobicContact CG2-CD1 4.04Å; V710-R810 PolarHBondContact N-O 2.83Å; V710-I811 HydrophobicContact CB-CG1 4.27Å; V710-I811 CarbonylContact O-C 3.36Å; V710-I811 WeakPolarHBondContact O-CA 3.34Å; V710-C812 PolarHBondContact O-N 2.61Å
711	H	94.6	Very high	92	Very high	39 Å²	39	44.1 Å²	44.1	18%	0.181	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	118.2	175.2	-66.6	-108.1	0	0	0	108.7	Y391 F392 A393 D709 C812	Y391-H711 HydrophobicContact CE1-CB 4.41Å; F392-H711 CarbonylContact C-O 3.58Å; F392-H711 WeakPolarHBondContact CA-O 2.76Å; F392-H711 VanDerWaalsContact CB-O 3.31Å; F392-H711 WeakPolarHBondContact CB-O 3.04Å; A393-H711 HydrophobicContact CB-CB 4.46Å; A393-H711 PolarHBondContact N-O 2.73Å; A393-H711 PolarHBondContact O-N 2.84Å; D709-H711 VanDerWaalsContact CG-NE2 3.25Å; D709-H711 IonicContact OD1-CD2 3.67Å; D709-H711 IonicContact OD1-NE2 2.76Å; D709-H711 PolarHBondContact OD1-NE2 2.89Å; D709-H711 IonicContact OD2-CD2 3.35Å; D709-H711 IonicContact OD2-CE1 3.04Å; D709-H711 IonicContact OD2-NE2 3.56Å; D709-H711 PolarHBondContact OD2-NE2 3.29Å; H711-C812 CarbonylContact C-O 3.35Å; H711-C812 WeakPolarHBondContact CA-O 3.21Å
712	L	93.9	Very high	92.2	Very high	4 Å²	4	40 Å²	40	2%	0.021	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	145.3	177.3	-58.9	-179.3	0	0	0	109.2	F392 V710 A716 L720 F736 I811 C812 L813 V814	F392-L712 HydrophobicContact CB-CD2 3.78Å; V710-L712 HydrophobicContact CG1-CD2 3.85Å; V710-L712 HydrophobicContact CG1-CG 4.11Å; L712-A716 HydrophobicContact CB-CB 4.03Å; L712-A716 HydrophobicContact CD2-CB 4.43Å; L712-L720 HydrophobicContact CD1-CD1 4.06Å; L712-L720 HydrophobicContact CD1-CD2 4.08Å; L712-L720 HydrophobicContact CD1-CG 4.25Å; L712-F736 HydrophobicContact CD1-CZ 4.38Å; L712-I811 HydrophobicContact CD1-CG2 4.39Å; L712-C812 PolarHBondContact N-O 3.37Å; L712-L813 HydrophobicContact CB-CD2 3.85Å; L712-L813 HydrophobicContact CD1-CD2 4.2Å; L712-L813 HydrophobicContact CG-CD2 4.48Å; L712-L813 WeakPolarHBondContact O-CA 3.29Å; L712-V814 WeakPolarHBondContact O-CG2 3.39Å; L712-V814 PolarHBondContact O-N 2.78Å
713	C	91.7	Very high	92.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	163.6	162.9	75.2	0	0	0	0	110.7	T389 Y391 E715 A716 G717 V816	T389-C713 PolarHBondContact OG1-SG 3.44Å; Y391-C713 HydrophobicContact CD1-CB 4.39Å; Y391-C713 PolarHBondContact O-N 3.28Å; C713-E715 VanDerWaalsContact C-N 3.3Å; C713-E715 WeakPolarHBondContact CB-OE2 3.35Å; C713-E715 PolarHBondContact O-N 3.49Å; C713-E715 PolarHBondContact SG-OE2 3.01Å; C713-A716 PolarHBondContact O-N 2.93Å; C713-A716 PolarHBondContact SG-N 3.06Å; C713-A716 VanDerWaalsContact SG-N 3.38Å; C713-G717 PolarHBondContact O-N 3.18Å; C713-V816 HydrophobicContact CB-CG2 3.63Å
714	R	89.3	Confident	92.4	Very high	80 Å²	80	31.6 Å²	31.6	30%	0.302	15%	0.151	S	C	.	.	H	α-helix	trans	-47.7	-50.1	175.2	-179.2	-177.5	165.7	124.8	16.9	112.9	A716 G717 E718 P793 L798 V814	R714-A716 VanDerWaalsContact C-N 3.29Å; R714-A716 PolarHBondContact O-N 3Å; R714-G717 WeakPolarHBondContact O-CA 3.48Å; R714-G717 PolarHBondContact O-N 2.83Å; R714-E718 IonicContact CZ-OE1 3.79Å; R714-E718 IonicContact NE-OE1 2.78Å; R714-E718 PolarHBondContact NE-OE1 3.47Å; R714-E718 IonicContact NH2-OE1 3.98Å; R714-E718 PolarHBondContact NH2-OE1 3.42Å; R714-E718 WeakPolarHBondContact O-CG 3.46Å; R714-E718 PolarHBondContact O-N 2.7Å; R714-P793 VanDerWaalsContact NH2-C 3.34Å; R714-P793 PolarHBondContact NH2-O 3.2Å; R714-L798 HydrophobicContact CB-CD1 3.93Å; R714-L798 HydrophobicContact CG-CD1 4.16Å; R714-V814 PolarHBondContact N-O 3.05Å
715	E	85.2	Confident	92.2	Very high	113 Å²	113	28.3 Å²	28.3	53%	0.528	14%	0.135	S	C	.	.	H	α-helix	trans	-66.7	-29.9	-175	-51.3	95.2	133.5	0	0	112.6	C713	C713-E715 VanDerWaalsContact C-N 3.3Å; C713-E715 WeakPolarHBondContact CB-OE2 3.35Å; C713-E715 PolarHBondContact O-N 3.49Å; C713-E715 PolarHBondContact SG-OE2 3.01Å
716	A	89.5	Confident	92	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-77.3	-34	171.7	0	0	0	0	0	111.8	T389 L712 C713 R714 M719 F736	T389-A716 HydrophobicContact CG2-CB 4.23Å; L712-A716 HydrophobicContact CB-CB 4.03Å; L712-A716 HydrophobicContact CD2-CB 4.43Å; C713-A716 PolarHBondContact O-N 2.93Å; C713-A716 PolarHBondContact SG-N 3.06Å; C713-A716 VanDerWaalsContact SG-N 3.38Å; R714-A716 VanDerWaalsContact C-N 3.29Å; R714-A716 PolarHBondContact O-N 3Å; A716-M719 PolarHBondContact O-N 2.72Å; A716-F736 HydrophobicContact CB-CD1 3.8Å; A716-F736 HydrophobicContact CB-CE1 3.7Å; A716-F736 VanDerWaalsContact O-CE1 3.28Å; A716-F736 WeakPolarHBondContact O-CE1 3.4Å
717	G	90.7	Very high	92	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-63.5	-43.3	173.3	0	0	0	0	0	113.5	C713 R714 M719 L720 L790 L813	C713-G717 PolarHBondContact O-N 3.18Å; R714-G717 WeakPolarHBondContact O-CA 3.48Å; R714-G717 PolarHBondContact O-N 2.83Å; G717-M719 PolarHBondContact O-N 2.96Å; G717-M719 VanDerWaalsContact O-N 3.07Å; G717-L720 WeakPolarHBondContact O-CB 3.5Å; G717-L720 WeakPolarHBondContact O-CG 3.14Å; G717-L720 PolarHBondContact O-N 3.33Å; G717-L790 WeakPolarHBondContact O-CD1 3.5Å; G717-L813 VanDerWaalsContact CA-CD2 3.48Å
718	E	87.9	Confident	91.9	Very high	65 Å²	65	21.3 Å²	21.3	30%	0.304	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-16.2	177.5	-70.5	175.2	-173.3	0	0	113.1	R714 P793 L796	R714-E718 IonicContact CZ-OE1 3.79Å; R714-E718 IonicContact NE-OE1 2.78Å; R714-E718 PolarHBondContact NE-OE1 3.47Å; R714-E718 IonicContact NH2-OE1 3.98Å; R714-E718 PolarHBondContact NH2-OE1 3.42Å; R714-E718 WeakPolarHBondContact O-CG 3.46Å; R714-E718 PolarHBondContact O-N 2.7Å; E718-P793 HydrophobicContact CG-CB 4.22Å; E718-P793 VanDerWaalsContact OE1-CB 3.23Å; E718-P793 WeakPolarHBondContact OE1-CB 3.1Å; E718-L796 HydrophobicContact CG-CD1 4.34Å
719	M	89.5	Confident	91.8	Very high	41 Å²	41	25.9 Å²	25.9	20%	0.202	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-11.4	174.7	-64.8	-59.1	-53.7	0	0	114.7	L384 V387 A716 G717 L722 A723 F734 F736	L384-M719 HydrophobicContact CD2-CE 3.43Å; L384-M719 VanDerWaalsContact CD2-CE 3.43Å; V387-M719 HydrophobicContact CG1-CE 4.17Å; V387-M719 HydrophobicContact CG1-CG 4.43Å; V387-M719 HydrophobicContact CG2-CG 4.37Å; A716-M719 PolarHBondContact O-N 2.72Å; G717-M719 PolarHBondContact O-N 2.96Å; G717-M719 VanDerWaalsContact O-N 3.07Å; M719-L722 HydrophobicContact CE-CB 4.39Å; M719-L722 HydrophobicContact CE-CD1 4.07Å; M719-L722 HydrophobicContact CE-CD2 4.02Å; M719-L722 HydrophobicContact CE-CG 4.4Å; M719-L722 PolarHBondContact O-N 2.87Å; M719-A723 PolarHBondContact O-N 3.42Å; M719-F734 HydrophobicContact CB-CZ 4.33Å; M719-F734 HydrophobicContact CE-CZ 4.33Å; M719-F736 HydrophobicContact CB-CE1 4.34Å
720	L	93.4	Very high	91.7	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.016	12%	0.123	C	C	.	.	H	α-helix	trans	-59.3	-39.4	-177.5	-71.8	170.2	0	0	0	114.4	L712 G717 L722 A723 V724 F736 L748 F787 L790 I811 L813	L712-L720 HydrophobicContact CD1-CD1 4.06Å; L712-L720 HydrophobicContact CD1-CD2 4.08Å; L712-L720 HydrophobicContact CD1-CG 4.25Å; G717-L720 WeakPolarHBondContact O-CB 3.5Å; G717-L720 WeakPolarHBondContact O-CG 3.14Å; G717-L720 PolarHBondContact O-N 3.33Å; L720-L722 VanDerWaalsContact C-N 3.34Å; L720-L722 PolarHBondContact O-N 3.03Å; L720-A723 PolarHBondContact O-N 2.96Å; L720-V724 PolarHBondContact O-N 2.89Å; L720-F736 HydrophobicContact CD2-CE2 4.24Å; L720-F736 HydrophobicContact CD2-CZ 4.04Å; L720-L748 HydrophobicContact CD2-CD1 4.38Å; L720-F787 HydrophobicContact CB-CD2 3.78Å; L720-F787 HydrophobicContact CB-CE2 3.92Å; L720-F787 HydrophobicContact CB-CG 4.21Å; L720-F787 HydrophobicContact CB-CZ 4.44Å; L720-F787 HydrophobicContact CD1-CE1 4.08Å; L720-F787 HydrophobicContact CD1-CE2 4.22Å; L720-F787 HydrophobicContact CD1-CZ 3.92Å; L720-F787 HydrophobicContact CD2-CE2 4.24Å; L720-F787 HydrophobicContact CD2-CZ 4.48Å; L720-F787 HydrophobicContact CG-CE2 4.35Å; L720-L790 HydrophobicContact CB-CD1 3.95Å; L720-L790 HydrophobicContact CD1-CD1 3.9Å; L720-I811 HydrophobicContact CD1-CG2 4.34Å; L720-L813 HydrophobicContact CD1-CD2 4.18Å
721	P	91.4	Very high	91.5	Very high	7 Å²	7	28 Å²	28	5%	0.045	13%	0.131	C	C	.	.	H	α-helix	trans	-61.4	-39.8	177	-24.2	35	0	0	0	113	V724 N725 F787 L790 L791	P721-V724 PolarHBondContact O-N 3.25Å; P721-N725 VanDerWaalsContact O-CB 3.28Å; P721-N725 WeakPolarHBondContact O-CB 3.18Å; P721-N725 PolarHBondContact O-N 3.32Å; P721-F787 HydrophobicContact CG-CB 4.31Å; P721-L790 HydrophobicContact CG-CB 3.86Å; P721-L791 HydrophobicContact CB-CD2 3.75Å; P721-L791 HydrophobicContact CB-CG 4.3Å; P721-L791 HydrophobicContact CG-CD2 3.99Å; P721-L791 HydrophobicContact CG-CG 4.27Å
722	L	89.8	Confident	91.4	Very high	8 Å²	8	28.6 Å²	28.6	4%	0.042	13%	0.131	C	C	.	.	H	α-helix	trans	-68.2	-40.1	175.5	176.2	150.3	0	0	0	111.3	R331 L384 M719 L720 V724 D726 R727 F734	R331-L722 HydrophobicContact CB-CD1 3.82Å; R331-L722 HydrophobicContact CG-CD1 3.62Å; L384-L722 HydrophobicContact CB-CD2 4.3Å; L384-L722 HydrophobicContact CD2-CD1 4.5Å; L384-L722 HydrophobicContact CD2-CD2 4.04Å; M719-L722 HydrophobicContact CE-CB 4.39Å; M719-L722 HydrophobicContact CE-CD1 4.07Å; M719-L722 HydrophobicContact CE-CD2 4.02Å; M719-L722 HydrophobicContact CE-CG 4.4Å; M719-L722 PolarHBondContact O-N 2.87Å; L720-L722 VanDerWaalsContact C-N 3.34Å; L720-L722 PolarHBondContact O-N 3.03Å; L722-V724 VanDerWaalsContact C-N 3.34Å; L722-V724 PolarHBondContact O-N 2.81Å; L722-D726 WeakPolarHBondContact CA-OD2 3.15Å; L722-D726 HydrophobicContact CG-CB 4.14Å; L722-D726 WeakPolarHBondContact CG-OD2 3.29Å; L722-D726 WeakPolarHBondContact O-CA 3.22Å; L722-D726 WeakPolarHBondContact O-CB 3.42Å; L722-D726 PolarHBondContact O-N 3.13Å; L722-R727 HydrophobicContact CD2-CG 4.22Å; L722-R727 PolarHBondContact O-N 3.3Å; L722-F734 HydrophobicContact CD2-CD2 4.34Å; L722-F734 HydrophobicContact CD2-CE2 3.82Å
723	A	92.6	Very high	91.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.139	C	C	.	.	I	π-helix	trans	-61.4	-41.9	176.7	0	0	0	0	0	111.5	M719 L720 R727 L728 F734 L748	M719-A723 PolarHBondContact O-N 3.42Å; L720-A723 PolarHBondContact O-N 2.96Å; A723-R727 WeakPolarHBondContact O-CB 3.37Å; A723-L728 WeakPolarHBondContact O-CB 3.38Å; A723-L728 WeakPolarHBondContact O-CD1 3.29Å; A723-L728 WeakPolarHBondContact O-CG 3.29Å; A723-L728 PolarHBondContact O-N 3.32Å; A723-F734 HydrophobicContact CB-CB 4Å; A723-F734 HydrophobicContact CB-CD1 3.61Å; A723-F734 HydrophobicContact CB-CD2 4.24Å; A723-F734 HydrophobicContact CB-CE1 4.1Å; A723-F734 HydrophobicContact CB-CG 3.68Å; A723-L748 HydrophobicContact CB-CD1 4.22Å
724	V	94.2	Very high	91.5	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.006	14%	0.139	C	C	.	.	I	π-helix	trans	-72.7	-58.7	176.6	177.4	0	0	0	0	111.5	L720 P721 L722 L728 R729 L780 L783 E784 F787	L720-V724 PolarHBondContact O-N 2.89Å; P721-V724 PolarHBondContact O-N 3.25Å; L722-V724 VanDerWaalsContact C-N 3.34Å; L722-V724 PolarHBondContact O-N 2.81Å; V724-L728 HydrophobicContact CG2-CD1 4.27Å; V724-L728 PolarHBondContact O-N 2.85Å; V724-R729 PolarHBondContact O-N 3.02Å; V724-L780 HydrophobicContact CG1-CB 4.43Å; V724-L780 HydrophobicContact CG1-CD2 4.32Å; V724-L783 HydrophobicContact CG1-CB 4.14Å; V724-L783 HydrophobicContact CG2-CB 4Å; V724-L783 HydrophobicContact CG2-CD1 4.44Å; V724-E784 HydrophobicContact CG1-CB 4.29Å; V724-F787 HydrophobicContact CG2-CD2 3.76Å; V724-F787 HydrophobicContact CG2-CE2 3.88Å
725	N	91.5	Very high	91.8	Very high	40 Å²	40	27.4 Å²	27.4	21%	0.214	13%	0.131	C	C	.	.	I	π-helix	trans	-77.8	-46	-165.6	-61.6	-5.8	0	0	0	112.3	P721 H730 E784	P721-N725 VanDerWaalsContact O-CB 3.28Å; P721-N725 WeakPolarHBondContact O-CB 3.18Å; P721-N725 PolarHBondContact O-N 3.32Å; N725-H730 PolarHBondContact O-CD2 3.09Å; N725-E784 WeakPolarHBondContact OD1-CB 3.36Å; N725-E784 VanDerWaalsContact OD1-CG 3.29Å; N725-E784 WeakPolarHBondContact OD1-CG 3.48Å
726	D	90.2	Very high	92.1	Very high	18 Å²	18	22.1 Å²	22.1	10%	0.096	11%	0.106	C	C	.	.	I	π-helix	trans	-93.6	-11.6	-172	-48.5	-43.9	0	0	0	112.5	G381 S382 L722 H730	G381-D726 CarbonylContact C-O 3.55Å; G381-D726 WeakPolarHBondContact CA-O 3.29Å; S382-D726 PolarHBondContact N-O 3.03Å; L722-D726 WeakPolarHBondContact CA-OD2 3.15Å; L722-D726 HydrophobicContact CG-CB 4.14Å; L722-D726 WeakPolarHBondContact CG-OD2 3.29Å; L722-D726 WeakPolarHBondContact O-CA 3.22Å; L722-D726 WeakPolarHBondContact O-CB 3.42Å; L722-D726 PolarHBondContact O-N 3.13Å; D726-H730 PolarHBondContact O-CD2 3.36Å
727	R	93.3	Very high	92	Very high	14 Å²	14	22.5 Å²	22.5	5%	0.053	11%	0.108	C	C	.	.	I	π-helix	trans	-120.6	-65.5	-178.3	-65.8	-70.1	-61.5	-172.7	-5.6	113.2	S382 L384 L722 A723 R729 H730 R732 H733 F734	S382-R727 WeakPolarHBondContact O-CD 3.48Å; S382-R727 PolarHBondContact O-NH1 3.46Å; L384-R727 VanDerWaalsContact O-CD 3.24Å; L384-R727 WeakPolarHBondContact O-CD 3.45Å; L384-R727 PolarHBondContact O-NE 3.02Å; L384-R727 VanDerWaalsContact O-NE 3.11Å; L722-R727 HydrophobicContact CD2-CG 4.22Å; L722-R727 PolarHBondContact O-N 3.3Å; A723-R727 WeakPolarHBondContact O-CB 3.37Å; R727-R729 PolarHBondContact O-N 2.9Å; R727-H730 CarbonylContact O-C 3.58Å; R727-H730 WeakPolarHBondContact O-CA 3.43Å; R727-H730 PolarHBondContact O-N 2.88Å; R727-R732 CarbonylContact C-O 3.2Å; R727-R732 VanDerWaalsContact C-O 3.23Å; R727-R732 HydrophobicContact CB-CB 4.45Å; R727-R732 WeakPolarHBondContact O-CB 3.13Å; R727-R732 PolarHBondContact O-N 3.4Å; R727-H733 PolarHBondContact NE-O 2.89Å; R727-H733 VanDerWaalsContact NE-O 3.1Å; R727-H733 PolarHBondContact NH2-O 3.45Å; R727-F734 HydrophobicContact CB-CB 4.47Å; R727-F734 HydrophobicContact CG-CD2 4.07Å
728	L	94.8	Very high	91.8	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-62.5	-47.2	-172.6	-68.6	166.8	0	0	0	111.4	A723 V724 H730 G731 R732 L748 P750 L775 L780	A723-L728 WeakPolarHBondContact O-CB 3.38Å; A723-L728 WeakPolarHBondContact O-CD1 3.29Å; A723-L728 WeakPolarHBondContact O-CG 3.29Å; A723-L728 PolarHBondContact O-N 3.32Å; V724-L728 HydrophobicContact CG2-CD1 4.27Å; V724-L728 PolarHBondContact O-N 2.85Å; L728-H730 PolarHBondContact O-N 3.32Å; L728-H730 VanDerWaalsContact O-N 3.09Å; L728-G731 PolarHBondContact O-N 3.29Å; L728-R732 WeakPolarHBondContact CA-O 3.26Å; L728-R732 PolarHBondContact N-O 3.38Å; L728-L748 HydrophobicContact CD1-CB 4.06Å; L728-L748 HydrophobicContact CD1-CD1 4.2Å; L728-L748 HydrophobicContact CD2-CB 4.07Å; L728-P750 HydrophobicContact CB-CB 4.17Å; L728-P750 HydrophobicContact CD2-CB 3.86Å; L728-P750 HydrophobicContact CD2-CG 3.91Å; L728-P750 VanDerWaalsContact O-CB 3.3Å; L728-P750 WeakPolarHBondContact O-CB 3.22Å; L728-L775 HydrophobicContact CD1-CD1 3.62Å; L728-L780 HydrophobicContact CB-CD1 3.89Å; L728-L780 HydrophobicContact CB-CD2 3.71Å; L728-L780 HydrophobicContact CB-CG 4.5Å; L728-L780 HydrophobicContact CD1-CD2 3.87Å; L728-L780 HydrophobicContact CG-CD2 4.37Å
729	R	93.1	Very high	91.2	Very high	96 Å²	96	22.6 Å²	22.6	36%	0.362	12%	0.119	S	C	.	.	G	3₁₀ helix	trans	-60	-18	173.8	-75	-165.8	172.9	-74.4	20.1	115	V724 R727 L780 E784	V724-R729 PolarHBondContact O-N 3.02Å; R727-R729 PolarHBondContact O-N 2.9Å; R729-L780 HydrophobicContact CG-CB 4.39Å; R729-L780 HydrophobicContact CG-CD1 4.22Å; R729-E784 IonicContact CZ-OE2 3.82Å; R729-E784 IonicContact NE-OE2 3.55Å; R729-E784 PolarHBondContact NE-OE2 3.41Å; R729-E784 IonicContact NH2-OE2 2.69Å; R729-E784 PolarHBondContact NH2-OE2 2.9Å
730	H	92.4	Very high	90.6	Very high	39 Å²	39	26.1 Å²	26.1	18%	0.181	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-96.7	13.9	175.2	-67.2	-90	0	0	0	113	G381 N725 D726 R727 L728 R732	G381-H730 WeakPolarHBondContact CA-NE2 3.04Å; G381-H730 PolarHBondContact N-CE1 3.49Å; G381-H730 VanDerWaalsContact N-CE1 3.35Å; N725-H730 PolarHBondContact O-CD2 3.09Å; D726-H730 PolarHBondContact O-CD2 3.36Å; R727-H730 CarbonylContact O-C 3.58Å; R727-H730 WeakPolarHBondContact O-CA 3.43Å; R727-H730 PolarHBondContact O-N 2.88Å; L728-H730 PolarHBondContact O-N 3.32Å; L728-H730 VanDerWaalsContact O-N 3.09Å; H730-R732 VanDerWaalsContact C-N 3.34Å; H730-R732 HydrophobicContact CB-CG 4.13Å; H730-R732 WeakPolarHBondContact O-CG 3.36Å
731	G	92.7	Very high	90	Very high	18 Å²	18	30.7 Å²	30.7	19%	0.186	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	24.4	-177.8	0	0	0	0	0	113.7	L728 V753	L728-G731 PolarHBondContact O-N 3.29Å; G731-V753 WeakPolarHBondContact O-CG2 3.4Å
732	R	93.1	Very high	89	Confident	52 Å²	52	33.7 Å²	33.7	20%	0.196	18%	0.175	C	C	.	.			trans	-117.4	134.4	-174.3	-43.8	-178.6	-174.6	153.6	6.9	111.3	E380 S382 R727 L728 H730	E380-R732 VanDerWaalsContact O-CZ 3.29Å; E380-R732 PolarHBondContact O-NH1 3.14Å; E380-R732 PolarHBondContact O-NH2 3.39Å; S382-R732 PolarHBondContact O-NH1 3.4Å; R727-R732 CarbonylContact C-O 3.2Å; R727-R732 VanDerWaalsContact C-O 3.23Å; R727-R732 HydrophobicContact CB-CB 4.45Å; R727-R732 WeakPolarHBondContact O-CB 3.13Å; R727-R732 PolarHBondContact O-N 3.4Å; L728-R732 WeakPolarHBondContact CA-O 3.26Å; L728-R732 PolarHBondContact N-O 3.38Å; H730-R732 VanDerWaalsContact C-N 3.34Å; H730-R732 HydrophobicContact CB-CG 4.13Å; H730-R732 WeakPolarHBondContact O-CG 3.36Å
733	H	93.8	Very high	88.4	Confident	41 Å²	41	36.2 Å²	36.2	19%	0.19	19%	0.189	C	C	.	.			trans	-67.8	163.1	173.4	66.5	-104.6	0	0	0	112.5	R727 T747 L748	R727-H733 PolarHBondContact NE-O 2.89Å; R727-H733 VanDerWaalsContact NE-O 3.1Å; R727-H733 PolarHBondContact NH2-O 3.45Å; H733-T747 HydrophobicContact CB-CG2 3.94Å; H733-L748 VanDerWaalsContact CA-O 3.25Å; H733-L748 WeakPolarHBondContact CA-O 3.18Å; H733-L748 WeakPolarHBondContact CB-O 3.43Å
734	F	93.7	Very high	88.2	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	131.9	171	-172.5	-94.1	0	0	0	111.2	L384 S385 V387 M719 L722 A723 R727 F736 T747 L748	L384-F734 HydrophobicContact CB-CE2 4.41Å; L384-F734 HydrophobicContact CD2-CE2 4.02Å; L384-F734 HydrophobicContact CD2-CZ 4.46Å; L384-F734 HydrophobicContact CG-CE2 3.96Å; L384-F734 WeakPolarHBondContact O-CD2 3.36Å; S385-F734 CarbonylContact O-C 3.57Å; S385-F734 WeakPolarHBondContact O-CA 3.39Å; V387-F734 HydrophobicContact CG1-CZ 4.01Å; V387-F734 HydrophobicContact CG2-CE1 4.09Å; V387-F734 HydrophobicContact CG2-CZ 3.95Å; M719-F734 HydrophobicContact CB-CZ 4.33Å; M719-F734 HydrophobicContact CE-CZ 4.33Å; L722-F734 HydrophobicContact CD2-CD2 4.34Å; L722-F734 HydrophobicContact CD2-CE2 3.82Å; A723-F734 HydrophobicContact CB-CB 4Å; A723-F734 HydrophobicContact CB-CD1 3.61Å; A723-F734 HydrophobicContact CB-CD2 4.24Å; A723-F734 HydrophobicContact CB-CE1 4.1Å; A723-F734 HydrophobicContact CB-CG 3.68Å; R727-F734 HydrophobicContact CB-CB 4.47Å; R727-F734 HydrophobicContact CG-CD2 4.07Å; F734-F736 HydrophobicContact CD1-CD2 4.38Å; F734-F736 AromaticContact CD1-CE2 3.94Å; F734-F736 HydrophobicContact CD1-CE2 3.94Å; F734-F736 HydrophobicContact CD1-CZ 4.07Å; F734-F736 HydrophobicContact CE1-CD1 4.26Å; F734-F736 HydrophobicContact CE1-CD2 4.39Å; F734-F736 AromaticContact CE1-CE1 3.79Å; F734-F736 HydrophobicContact CE1-CE1 3.79Å; F734-F736 AromaticContact CE1-CE2 3.93Å; F734-F736 HydrophobicContact CE1-CE2 3.93Å; F734-F736 AromaticContact CE1-CZ 3.61Å; F734-F736 HydrophobicContact CE1-CZ 3.61Å; F734-T747 CarbonylContact O-C 3.58Å; F734-T747 WeakPolarHBondContact O-CA 3.45Å; F734-L748 PolarHBondContact N-O 2.91Å; F734-L748 PolarHBondContact O-N 2.98Å
735	T	94.2	Very high	88.1	Confident	19 Å²	19	39 Å²	39	12%	0.117	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127.7	-173.9	-54.5	0	0	0	0	114	S385 G386 V387 L737 A745 I746 T747	S385-T735 PolarHBondContact O-N 3.1Å; G386-T735 CarbonylContact C-O 3.55Å; G386-T735 WeakPolarHBondContact CA-O 3.29Å; V387-T735 PolarHBondContact N-O 3.36Å; T735-L737 HydrophobicContact CG2-CD2 3.74Å; T735-L737 HydrophobicContact CG2-CG 4.04Å; T735-A745 HydrophobicContact CG2-CB 4.26Å; T735-I746 CarbonylContact C-O 3.47Å; T735-I746 WeakPolarHBondContact CA-O 3.37Å; T735-T747 VanDerWaalsContact CG2-OG1 3.3Å; T735-T747 WeakPolarHBondContact CG2-OG1 3.42Å; T735-T747 WeakPolarHBondContact OG1-CG2 3.31Å; T735-T747 PolarHBondContact OG1-OG1 3.47Å
736	F	91.8	Very high	88.3	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.009	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	132.7	164.7	-62.1	-83.8	0	0	0	110.2	V387 T389 F392 L712 A716 M719 L720 F734 A745 I746 L748	V387-F736 HydrophobicContact CG2-CD1 3.63Å; V387-F736 HydrophobicContact CG2-CE1 3.84Å; V387-F736 WeakPolarHBondContact O-CA 3.25Å; T389-F736 HydrophobicContact CG2-CB 4.36Å; T389-F736 HydrophobicContact CG2-CD1 4.44Å; F392-F736 HydrophobicContact CD1-CB 4.03Å; F392-F736 HydrophobicContact CE1-CB 4.02Å; F392-F736 WeakPolarHBondContact CE1-O 3.5Å; L712-F736 HydrophobicContact CD1-CZ 4.38Å; A716-F736 HydrophobicContact CB-CD1 3.8Å; A716-F736 HydrophobicContact CB-CE1 3.7Å; A716-F736 VanDerWaalsContact O-CE1 3.28Å; A716-F736 WeakPolarHBondContact O-CE1 3.4Å; M719-F736 HydrophobicContact CB-CE1 4.34Å; L720-F736 HydrophobicContact CD2-CE2 4.24Å; L720-F736 HydrophobicContact CD2-CZ 4.04Å; F734-F736 HydrophobicContact CD1-CD2 4.38Å; F734-F736 AromaticContact CD1-CE2 3.94Å; F734-F736 HydrophobicContact CD1-CE2 3.94Å; F734-F736 HydrophobicContact CD1-CZ 4.07Å; F734-F736 HydrophobicContact CE1-CD1 4.26Å; F734-F736 HydrophobicContact CE1-CD2 4.39Å; F734-F736 AromaticContact CE1-CE1 3.79Å; F734-F736 HydrophobicContact CE1-CE1 3.79Å; F734-F736 AromaticContact CE1-CE2 3.93Å; F734-F736 HydrophobicContact CE1-CE2 3.93Å; F734-F736 AromaticContact CE1-CZ 3.61Å; F734-F736 HydrophobicContact CE1-CZ 3.61Å; F736-A745 CarbonylContact O-C 3.58Å; F736-A745 WeakPolarHBondContact O-CA 3.35Å; F736-I746 HydrophobicContact CB-CB 4.48Å; F736-I746 PolarHBondContact N-O 3.21Å; F736-I746 PolarHBondContact O-N 2.82Å; F736-L748 HydrophobicContact CE2-CD1 4.25Å
737	L	88.3	Confident	88.6	Confident	7 Å²	7	36.6 Å²	36.6	4%	0.037	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	140.3	179.1	-63.8	173.3	0	0	0	110.9	V387 T388 T389 L687 L690 T735 A745	V387-L737 PolarHBondContact O-N 3.43Å; T388-L737 CarbonylContact C-O 3.23Å; T388-L737 WeakPolarHBondContact CA-O 3.32Å; T389-L737 WeakPolarHBondContact CG2-O 3.22Å; T389-L737 PolarHBondContact N-O 3.31Å; L687-L737 HydrophobicContact CD1-CD1 3.74Å; L687-L737 HydrophobicContact CD2-CD1 3.51Å; L687-L737 HydrophobicContact CG-CD1 4.1Å; L690-L737 HydrophobicContact CD1-CD1 4.09Å; L690-L737 HydrophobicContact CD1-CD2 4.33Å; L690-L737 HydrophobicContact CD2-CD1 3.95Å; L690-L737 HydrophobicContact CD2-CD2 3.84Å; L690-L737 HydrophobicContact CD2-CG 4.43Å; L690-L737 HydrophobicContact CG-CD1 4.35Å; T735-L737 HydrophobicContact CG2-CD2 3.74Å; T735-L737 HydrophobicContact CG2-CG 4.04Å; L737-A745 HydrophobicContact CD2-CB 3.52Å
738	N	85.3	Confident	88.8	Confident	8 Å²	8	36.4 Å²	36.4	4%	0.043	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	117	-175.1	-168.3	-50.1	0	0	0	111.5	F392 N740 Y741 H744	F392-N738 HydrophobicContact CD1-CB 4.48Å; F392-N738 HydrophobicContact CE1-CB 3.86Å; F392-N738 HydrophobicContact CZ-CB 3.91Å; N738-N740 PolarHBondContact O-N 3.35Å; N738-N740 PolarHBondContact OD1-N 3.23Å; N738-Y741 CarbonylContact O-C 3.6Å; N738-Y741 PolarHBondContact O-N 2.9Å; N738-Y741 VanDerWaalsContact O-N 3.1Å; N738-Y741 PolarHBondContact OD1-N 3.39Å; N738-H744 HydrophobicContact CB-CB 4.03Å; N738-H744 PolarHBondContact N-O 2.93Å
739	A	75.9	Confident	88.8	Confident	60 Å²	60	36.5 Å²	36.5	50%	0.496	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-29.9	-179	0	0	0	0	0	113.9	T388 T389	T388-A739 HydrophobicContact CG2-CB 3.83Å; T389-A739 VanDerWaalsContact O-CB 3.3Å; T389-A739 WeakPolarHBondContact O-CB 3.4Å; T389-A739 PolarHBondContact O-N 3.14Å
740	N	77.6	Confident	89	Confident	115 Å²	115	32 Å²	32	62%	0.615	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-17.4	-178.7	-63.9	-68	0	0	0	112.8	S390 N738	S390-N740 PolarHBondContact O-ND2 3.31Å; N738-N740 PolarHBondContact O-N 3.35Å; N738-N740 PolarHBondContact OD1-N 3.23Å
741	Y	79.7	Confident	89	Confident	98 Å²	98	31.5 Å²	31.5	38%	0.384	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	79.5	-176	-60.3	-79.3	0	0	0	109.2	A248 N738 D743 H744	A248-Y741 HydrophobicContact CB-CE1 4.44Å; N738-Y741 CarbonylContact O-C 3.6Å; N738-Y741 PolarHBondContact O-N 2.9Å; N738-Y741 VanDerWaalsContact O-N 3.1Å; N738-Y741 PolarHBondContact OD1-N 3.39Å; Y741-D743 PolarHBondContact O-N 2.88Å; Y741-H744 WeakPolarHBondContact O-CB 3.42Å; Y741-H744 PolarHBondContact O-N 2.88Å
742	P	71.7	Confident	88.7	Confident	70 Å²	70	34 Å²	34	46%	0.455	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	-12.5	-168.1	25.3	-35.6	0	0	0	114.9	L690	L690-P742 WeakPolarHBondContact CD2-O 3.48Å
743	D	77.2	Confident	88.4	Confident	62 Å²	62	33.3 Å²	33.3	33%	0.332	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-15.2	173.5	-51.8	-37.8	0	0	0	112.6	S691 L692 Y741 P769	S691-D743 VanDerWaalsContact CB-OD1 3.3Å; S691-D743 WeakPolarHBondContact CB-OD1 3.24Å; S691-D743 PolarHBondContact OG-OD1 2.88Å; L692-D743 HydrophobicContact CD2-CB 4.28Å; Y741-D743 PolarHBondContact O-N 2.88Å; D743-P769 HydrophobicContact CB-CG 4.22Å; D743-P769 VanDerWaalsContact O-CG 3.25Å; D743-P769 WeakPolarHBondContact O-CG 3.36Å
744	H	87.3	Confident	88.1	Confident	58 Å²	58	36.2 Å²	36.2	27%	0.269	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	128.9	178.9	-74.9	-123.7	0	0	0	110.7	F392 N738 Y741	F392-H744 HydrophobicContact CE2-CB 4.14Å; F392-H744 HydrophobicContact CZ-CB 4.06Å; F392-H744 WeakPolarHBondContact CZ-O 3.34Å; N738-H744 HydrophobicContact CB-CB 4.03Å; N738-H744 PolarHBondContact N-O 2.93Å; Y741-H744 WeakPolarHBondContact O-CB 3.42Å; Y741-H744 PolarHBondContact O-N 2.88Å
745	A	91.8	Very high	87.6	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	147.3	-178.3	0	0	0	0	0	111.8	L692 T735 F736 L737 W770 L771	L692-A745 HydrophobicContact CD1-CB 4.12Å; T735-A745 HydrophobicContact CG2-CB 4.26Å; F736-A745 CarbonylContact O-C 3.58Å; F736-A745 WeakPolarHBondContact O-CA 3.35Å; L737-A745 HydrophobicContact CD2-CB 3.52Å; A745-W770 HydrophobicContact CB-CB 4.28Å; A745-W770 HydrophobicContact CB-CG 3.94Å; A745-W770 WeakPolarHBondContact O-CA 3.42Å; A745-L771 PolarHBondContact O-N 3.44Å
746	I	95.5	Very high	87.4	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	115.4	165	-56.5	178.8	0	0	0	108	F392 W394 V710 T735 F736 L771 I773	F392-I746 HydrophobicContact CB-CD1 4.3Å; F392-I746 HydrophobicContact CD2-CD1 3.5Å; F392-I746 VanDerWaalsContact CD2-CD1 3.5Å; F392-I746 HydrophobicContact CD2-CG1 3.83Å; F392-I746 HydrophobicContact CE2-CD1 3.91Å; F392-I746 HydrophobicContact CE2-CG1 3.67Å; F392-I746 HydrophobicContact CG-CD1 3.89Å; F392-I746 HydrophobicContact CG-CG1 4.39Å; F392-I746 HydrophobicContact CZ-CG1 4.08Å; W394-I746 HydrophobicContact CB-CD1 4.27Å; W394-I746 HydrophobicContact CG-CD1 4.46Å; V710-I746 HydrophobicContact CG1-CD1 3.78Å; T735-I746 CarbonylContact C-O 3.47Å; T735-I746 WeakPolarHBondContact CA-O 3.37Å; F736-I746 HydrophobicContact CB-CB 4.48Å; F736-I746 PolarHBondContact N-O 3.21Å; F736-I746 PolarHBondContact O-N 2.82Å; I746-L771 CarbonylContact C-O 2.98Å; I746-L771 WeakPolarHBondContact CA-O 3.36Å; I746-L771 HydrophobicContact CG1-CB 4.37Å; I746-L771 HydrophobicContact CG1-CD2 4.33Å; I746-L771 HydrophobicContact CG2-CD2 4.19Å; I746-L771 HydrophobicContact CG2-CG 4.47Å; I746-I773 HydrophobicContact CG2-CD1 3.65Å; I746-I773 HydrophobicContact CG2-CG1 4.23Å
747	T	96.7	Very high	87.2	Confident	6 Å²	6	42.9 Å²	42.9	4%	0.037	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	121.5	175.6	-57.5	0	0	0	0	110.6	H733 F734 T735 V749 W770 L771 Q772 I773	H733-T747 HydrophobicContact CB-CG2 3.94Å; F734-T747 CarbonylContact O-C 3.58Å; F734-T747 WeakPolarHBondContact O-CA 3.45Å; T735-T747 VanDerWaalsContact CG2-OG1 3.3Å; T735-T747 WeakPolarHBondContact CG2-OG1 3.42Å; T735-T747 WeakPolarHBondContact OG1-CG2 3.31Å; T735-T747 PolarHBondContact OG1-OG1 3.47Å; T747-V749 HydrophobicContact CG2-CG2 3.95Å; T747-W770 PolarHBondContact OG1-NE1 3.41Å; T747-L771 PolarHBondContact N-O 3.03Å; T747-Q772 CarbonylContact O-C 3.57Å; T747-Q772 WeakPolarHBondContact O-CA 3.37Å; T747-I773 PolarHBondContact O-N 3.34Å
748	L	97.5	Very high	87.5	Confident	10 Å²	10	43.4 Å²	43.4	5%	0.052	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	133.3	165.5	-51.2	-174.6	0	0	0	108.9	L720 A723 L728 H733 F734 F736 I773 L775	L720-L748 HydrophobicContact CD2-CD1 4.38Å; A723-L748 HydrophobicContact CB-CD1 4.22Å; L728-L748 HydrophobicContact CD1-CB 4.06Å; L728-L748 HydrophobicContact CD1-CD1 4.2Å; L728-L748 HydrophobicContact CD2-CB 4.07Å; H733-L748 VanDerWaalsContact CA-O 3.25Å; H733-L748 WeakPolarHBondContact CA-O 3.18Å; H733-L748 WeakPolarHBondContact CB-O 3.43Å; F734-L748 PolarHBondContact N-O 2.91Å; F734-L748 PolarHBondContact O-N 2.98Å; F736-L748 HydrophobicContact CE2-CD1 4.25Å; L748-I773 HydrophobicContact CD2-CB 4.01Å; L748-I773 HydrophobicContact CD2-CD1 3.94Å; L748-I773 HydrophobicContact CD2-CG1 4.4Å; L748-I773 HydrophobicContact CD2-CG2 4.33Å; L748-L775 HydrophobicContact CB-CD1 4.17Å; L748-L775 HydrophobicContact CD1-CD1 4.18Å; L748-L775 HydrophobicContact CD2-CD1 4.18Å; L748-L775 HydrophobicContact CG-CD1 4.41Å
749	V	96.4	Very high	87.9	Confident	4 Å²	4	44.9 Å²	44.9	2%	0.024	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	128.6	-174	-175.4	0	0	0	0	108.3	T747 V753 A756 V758 Q772 I773 L774 L775	T747-V749 HydrophobicContact CG2-CG2 3.95Å; V749-V753 HydrophobicContact CG1-CB 3.9Å; V749-V753 HydrophobicContact CG1-CG1 4.22Å; V749-A756 HydrophobicContact CG1-CB 3.9Å; V749-A756 HydrophobicContact CG2-CB 4.48Å; V749-V758 HydrophobicContact CB-CG2 4.18Å; V749-V758 HydrophobicContact CG1-CG2 4.26Å; V749-V758 HydrophobicContact CG2-CG2 4.27Å; V749-Q772 HydrophobicContact CG2-CB 4.4Å; V749-I773 PolarHBondContact N-O 3.48Å; V749-L774 HydrophobicContact CG1-CD1 4.35Å; V749-L774 CarbonylContact O-C 3.41Å; V749-L774 WeakPolarHBondContact O-CA 3.44Å; V749-L775 PolarHBondContact O-N 2.75Å
750	P	96	Very high	88.7	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.006	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	167.4	171.6	35.1	-26.8	0	0	0	110.8	L728 V753 L775	L728-P750 HydrophobicContact CB-CB 4.17Å; L728-P750 HydrophobicContact CD2-CB 3.86Å; L728-P750 HydrophobicContact CD2-CG 3.91Å; L728-P750 VanDerWaalsContact O-CB 3.3Å; L728-P750 WeakPolarHBondContact O-CB 3.22Å; P750-V753 HydrophobicContact CG-CG2 3.77Å; P750-L775 WeakPolarHBondContact CA-O 3.44Å
751	S	92.1	Very high	89.4	Confident	28 Å²	28	51 Å²	51	20%	0.196	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	143.8	173	-71.7	0	0	0	0	111.9
752	G	87.6	Confident	90.1	Very high	71 Å²	71	48.1 Å²	48.1	73%	0.732	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	-7	177.2	0	0	0	0	0	117.4	S754	G752-S754 PolarHBondContact O-N 2.89Å
753	V	87.3	Confident	91.3	Very high	38 Å²	38	46.6 Å²	46.6	23%	0.23	29%	0.292	C	S	.	.			trans	-73.5	114	178.9	169.7	0	0	0	0	112.4	G731 V749 P750	G731-V753 WeakPolarHBondContact O-CG2 3.4Å; V749-V753 HydrophobicContact CG1-CB 3.9Å; V749-V753 HydrophobicContact CG1-CG1 4.22Å; P750-V753 HydrophobicContact CG-CG2 3.77Å
754	S	85.7	Confident	92.2	Very high	101 Å²	101	44 Å²	44	71%	0.706	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	140.6	176.7	61.5	0	0	0	0	113.2	G752	G752-S754 PolarHBondContact O-N 2.89Å
755	G	84.8	Confident	92.7	Very high	73 Å²	73	41.4 Å²	41.4	75%	0.753	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	1.6	173.4	0	0	0	0	0	115.2
756	A	88.6	Confident	92.7	Very high	31 Å²	31	41.3 Å²	41.3	26%	0.256	27%	0.266	S	S	.	.			trans	-67.8	158.7	167.7	0	0	0	0	0	111.8	V749 V758	V749-A756 HydrophobicContact CG1-CB 3.9Å; V749-A756 HydrophobicContact CG2-CB 4.48Å; A756-V758 HydrophobicContact CB-CG2 3.96Å
757	F	89	Confident	92.5	Very high	57 Å²	57	43.6 Å²	43.6	25%	0.25	27%	0.274	C	S	.	.	S	Bend	trans	-95	-1.6	176.1	-47.5	-43.2	0	0	0	113.2	V765 R767 W770 Q772	F757-V765 HydrophobicContact CB-CB 4.45Å; F757-V765 HydrophobicContact CB-CG1 3.96Å; F757-R767 HydrophobicContact CD2-CB 4.29Å; F757-R767 HydrophobicContact CE2-CB 4.13Å; F757-W770 HydrophobicContact CE2-CD2 4.46Å; F757-W770 AromaticContact CE2-CE3 3.72Å; F757-W770 HydrophobicContact CE2-CE3 3.72Å; F757-W770 HydrophobicContact CE2-CH2 4.22Å; F757-W770 AromaticContact CE2-CZ3 3.58Å; F757-W770 HydrophobicContact CE2-CZ3 3.58Å; F757-W770 HydrophobicContact CZ-CE3 4.35Å; F757-W770 HydrophobicContact CZ-CH2 4.45Å; F757-W770 AromaticContact CZ-CZ3 3.82Å; F757-W770 HydrophobicContact CZ-CZ3 3.82Å; F757-Q772 HydrophobicContact CD2-CG 4.25Å
758	V	94	Very high	92.1	Very high	18 Å²	18	43.8 Å²	43.8	11%	0.109	28%	0.278	C	S	.	.			trans	-104.3	153.3	-177.3	-70.3	0	0	0	0	111.1	V749 A756 T762 P763 V765 Q772 L774	V749-V758 HydrophobicContact CB-CG2 4.18Å; V749-V758 HydrophobicContact CG1-CG2 4.26Å; V749-V758 HydrophobicContact CG2-CG2 4.27Å; A756-V758 HydrophobicContact CB-CG2 3.96Å; V758-T762 WeakPolarHBondContact CA-O 3.49Å; V758-P763 VanDerWaalsContact CG1-O 3.24Å; V758-P763 WeakPolarHBondContact CG1-O 2.88Å; V758-V765 HydrophobicContact CG1-CB 3.76Å; V758-V765 HydrophobicContact CG1-CG2 3.93Å; V758-Q772 HydrophobicContact CG1-CB 3.79Å; V758-Q772 HydrophobicContact CG2-CB 4.46Å; V758-L774 HydrophobicContact CB-CB 4.04Å; V758-L774 HydrophobicContact CG2-CB 3.85Å; V758-L774 HydrophobicContact CG2-CD1 4.48Å
759	S	93.8	Very high	91.6	Very high	39 Å²	39	44.3 Å²	44.3	27%	0.273	28%	0.282	S	S	.	.			trans	-139.5	173.6	173.3	75.3	0	0	0	0	110.2	E761 T762 P763 L774	S759-E761 WeakPolarHBondContact CB-OE2 3.33Å; S759-E761 PolarHBondContact O-N 3.3Å; S759-E761 PolarHBondContact OG-N 2.85Å; S759-E761 PolarHBondContact OG-OE2 3.4Å; S759-T762 PolarHBondContact N-O 2.92Å; S759-T762 VanDerWaalsContact N-O 3.1Å; S759-T762 CarbonylContact O-C 3.55Å; S759-T762 PolarHBondContact O-N 2.85Å; S759-T762 PolarHBondContact OG-N 2.88Å; S759-T762 PolarHBondContact OG-OG1 2.88Å; S759-P763 WeakPolarHBondContact O-CA 3.36Å; S759-P763 VanDerWaalsContact O-N 3.09Å; S759-L774 WeakPolarHBondContact O-CD2 3.45Å
760	E	92.2	Very high	91.4	Very high	142 Å²	142	46.2 Å²	46.2	66%	0.664	29%	0.288	S	S	*	.	S	Bend	trans	-64.4	-29.3	177.4	-67.2	-179.5	-179.5	0	0	112	L774 T776	E760-L774 HydrophobicContact CB-CD2 4.49Å; E760-L774 HydrophobicContact CG-CD2 3.89Å; E760-T776 HydrophobicContact CG-CG2 4.17Å
761	E	92.6	Very high	91.4	Very high	161 Å²	161	46.1 Å²	46.1	75%	0.752	29%	0.288	S	S	*	.	S	Bend	trans	-78.8	-22.9	172.3	-46	87.8	162.5	0	0	113.3	S759	S759-E761 WeakPolarHBondContact CB-OE2 3.33Å; S759-E761 PolarHBondContact O-N 3.3Å; S759-E761 PolarHBondContact OG-N 2.85Å; S759-E761 PolarHBondContact OG-OE2 3.4Å
762	T	94.5	Very high	91.6	Very high	38 Å²	38	45.2 Å²	45.2	23%	0.233	28%	0.281	C	S	.	.			trans	-135.7	72	180	56.5	0	0	0	0	110.9	I704 V758 S759 Y764	I704-T762 HydrophobicContact CD1-CG2 3.98Å; I704-T762 HydrophobicContact CG1-CG2 4.29Å; I704-T762 HydrophobicContact CG2-CG2 4.05Å; V758-T762 WeakPolarHBondContact CA-O 3.49Å; S759-T762 PolarHBondContact N-O 2.92Å; S759-T762 VanDerWaalsContact N-O 3.1Å; S759-T762 CarbonylContact O-C 3.55Å; S759-T762 PolarHBondContact O-N 2.85Å; S759-T762 PolarHBondContact OG-N 2.88Å; S759-T762 PolarHBondContact OG-OG1 2.88Å; T762-Y764 VanDerWaalsContact C-N 3.28Å; T762-Y764 PolarHBondContact O-N 2.88Å
763	P	96.2	Very high	92.1	Very high	39 Å²	39	42 Å²	42	25%	0.253	25%	0.247	S	C	.	.			trans	-72.1	-19.5	-171.1	27.8	-36.1	0	0	0	113.7	V758 S759 I773 L774	V758-P763 VanDerWaalsContact CG1-O 3.24Å; V758-P763 WeakPolarHBondContact CG1-O 2.88Å; S759-P763 WeakPolarHBondContact O-CA 3.36Å; S759-P763 VanDerWaalsContact O-N 3.09Å; P763-I773 CarbonylContact O-C 3.16Å; P763-I773 WeakPolarHBondContact O-CA 3.16Å; P763-L774 HydrophobicContact CB-CB 3.99Å; P763-L774 PolarHBondContact O-N 2.88Å
764	Y	97.5	Very high	92.5	Very high	7 Å²	7	41 Å²	41	3%	0.027	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	106.5	-176.9	-47.5	-43	0	0	0	110.7	I705 L708 T762 I773 R807	I705-Y764 PolarHBondContact N-O 3.38Å; L708-Y764 HydrophobicContact CB-CD2 3.91Å; L708-Y764 HydrophobicContact CB-CE2 4.39Å; L708-Y764 HydrophobicContact CB-CG 4.12Å; L708-Y764 HydrophobicContact CD2-CD1 3.76Å; L708-Y764 HydrophobicContact CD2-CD2 4.39Å; L708-Y764 HydrophobicContact CD2-CE1 4.41Å; L708-Y764 HydrophobicContact CD2-CG 3.79Å; T762-Y764 VanDerWaalsContact C-N 3.28Å; T762-Y764 PolarHBondContact O-N 2.88Å; Y764-I773 HydrophobicContact CD1-CB 4.35Å; Y764-I773 HydrophobicContact CD1-CG2 3.78Å; Y764-I773 HydrophobicContact CE1-CG2 3.63Å; Y764-R807 WeakPolarHBondContact CE2-O 3.44Å; Y764-R807 PolarHBondContact OH-O 3.17Å
765	V	96.2	Very high	93.1	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.018	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	128.2	-175.2	179.1	0	0	0	0	110.7	T702 R703 I704 F757 V758 Q772	T702-V765 HydrophobicContact CG2-CG1 3.46Å; T702-V765 VanDerWaalsContact CG2-CG1 3.46Å; R703-V765 CarbonylContact O-C 3.58Å; R703-V765 WeakPolarHBondContact O-CA 3.04Å; I704-V765 HydrophobicContact CG1-CG2 4.14Å; F757-V765 HydrophobicContact CB-CB 4.45Å; F757-V765 HydrophobicContact CB-CG1 3.96Å; V758-V765 HydrophobicContact CG1-CB 3.76Å; V758-V765 HydrophobicContact CG1-CG2 3.93Å; V765-Q772 PolarHBondContact N-O 2.89Å; V765-Q772 VanDerWaalsContact N-O 3.13Å; V765-Q772 PolarHBondContact O-N 3.34Å
766	A	93.6	Very high	93.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	123.3	178.9	0	0	0	0	0	112.4	W394 T702 R703 I705 W770 L771	W394-A766 HydrophobicContact CH2-CB 3.37Å; W394-A766 HydrophobicContact CZ2-CB 3.67Å; W394-A766 HydrophobicContact CZ3-CB 4.24Å; T702-A766 CarbonylContact C-O 3.44Å; T702-A766 WeakPolarHBondContact CA-O 3.45Å; R703-A766 PolarHBondContact N-O 2.85Å; R703-A766 PolarHBondContact O-N 3.25Å; I705-A766 HydrophobicContact CD1-CB 4.28Å; A766-W770 CarbonylContact C-O 3.6Å; A766-W770 WeakPolarHBondContact CA-O 3.48Å; A766-L771 HydrophobicContact CB-CB 4.41Å; A766-L771 HydrophobicContact CB-CD1 4.05Å
767	R	89.9	Confident	93.7	Very high	48 Å²	48	37.2 Å²	37.2	18%	0.181	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	102.7	171.3	-174.2	164.6	-70.1	-177.3	5.7	108.5	L697 D698 M700 T702 F757 W770	L697-R767 HydrophobicContact CD2-CG 4.18Å; L697-R767 WeakPolarHBondContact O-CD 3.31Å; D698-R767 IonicContact OD1-CZ 2.74Å; D698-R767 IonicContact OD1-NH1 3.56Å; D698-R767 PolarHBondContact OD1-NH1 3.43Å; M700-R767 HydrophobicContact CB-CG 4.26Å; T702-R767 PolarHBondContact OG1-NE 2.95Å; T702-R767 PolarHBondContact OG1-NH2 3.11Å; F757-R767 HydrophobicContact CD2-CB 4.29Å; F757-R767 HydrophobicContact CE2-CB 4.13Å; R767-W770 PolarHBondContact N-O 2.95Å; R767-W770 PolarHBondContact O-N 3.07Å
768	G	88	Confident	93.9	Very high	11 Å²	11	38.6 Å²	38.6	11%	0.113	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	-123.1	-169.8	0	0	0	0	0	112	P701 R703	P701-G768 PolarHBondContact O-N 2.94Å; R703-G768 PolarHBondContact NH2-O 3.07Å
769	P	87.9	Confident	93.9	Very high	21 Å²	21	37.9 Å²	37.9	14%	0.136	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-10.2	176.2	35.5	-36.1	0	0	0	114.8	M700 D743	M700-P769 VanDerWaalsContact SD-CD 3.51Å; D743-P769 HydrophobicContact CB-CG 4.22Å; D743-P769 VanDerWaalsContact O-CG 3.25Å; D743-P769 WeakPolarHBondContact O-CG 3.36Å
770	W	91.8	Very high	93.9	Very high	43 Å²	43	36 Å²	36	16%	0.163	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	118	175.3	-177	17.7	0	0	0	110.2	L697 A745 T747 F757 A766 R767 Q772	L697-W770 HydrophobicContact CD1-CE3 3.4Å; L697-W770 HydrophobicContact CD1-CZ3 3.56Å; L697-W770 HydrophobicContact CD2-CB 4.31Å; L697-W770 HydrophobicContact CD2-CE3 3.94Å; L697-W770 HydrophobicContact CG-CE3 4.3Å; A745-W770 HydrophobicContact CB-CB 4.28Å; A745-W770 HydrophobicContact CB-CG 3.94Å; A745-W770 WeakPolarHBondContact O-CA 3.42Å; T747-W770 PolarHBondContact OG1-NE1 3.41Å; F757-W770 HydrophobicContact CE2-CD2 4.46Å; F757-W770 AromaticContact CE2-CE3 3.72Å; F757-W770 HydrophobicContact CE2-CE3 3.72Å; F757-W770 HydrophobicContact CE2-CH2 4.22Å; F757-W770 AromaticContact CE2-CZ3 3.58Å; F757-W770 HydrophobicContact CE2-CZ3 3.58Å; F757-W770 HydrophobicContact CZ-CE3 4.35Å; F757-W770 HydrophobicContact CZ-CH2 4.45Å; F757-W770 AromaticContact CZ-CZ3 3.82Å; F757-W770 HydrophobicContact CZ-CZ3 3.82Å; A766-W770 CarbonylContact C-O 3.6Å; A766-W770 WeakPolarHBondContact CA-O 3.48Å; R767-W770 PolarHBondContact N-O 2.95Å; R767-W770 PolarHBondContact O-N 3.07Å; W770-Q772 HydrophobicContact CZ2-CG 4.44Å
771	L	95.1	Very high	93.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	138.7	172.4	174.2	65.2	0	0	0	110.5	W394 I705 L708 A745 I746 T747 A766 I773	W394-L771 HydrophobicContact CB-CD2 3.83Å; W394-L771 HydrophobicContact CD2-CB 4.26Å; W394-L771 HydrophobicContact CD2-CD2 3.87Å; W394-L771 HydrophobicContact CE3-CD2 4.38Å; W394-L771 HydrophobicContact CG-CB 4.4Å; W394-L771 HydrophobicContact CG-CD2 3.62Å; W394-L771 HydrophobicContact CZ2-CB 4.17Å; I705-L771 HydrophobicContact CD1-CD1 3.91Å; L708-L771 HydrophobicContact CD1-CD2 3.91Å; L708-L771 HydrophobicContact CD2-CD2 4.04Å; A745-L771 PolarHBondContact O-N 3.44Å; I746-L771 CarbonylContact C-O 2.98Å; I746-L771 WeakPolarHBondContact CA-O 3.36Å; I746-L771 HydrophobicContact CG1-CB 4.37Å; I746-L771 HydrophobicContact CG1-CD2 4.33Å; I746-L771 HydrophobicContact CG2-CD2 4.19Å; I746-L771 HydrophobicContact CG2-CG 4.47Å; T747-L771 PolarHBondContact N-O 3.03Å; A766-L771 HydrophobicContact CB-CB 4.41Å; A766-L771 HydrophobicContact CB-CD1 4.05Å; L771-I773 HydrophobicContact CD1-CG1 4.48Å; L771-I773 HydrophobicContact CD2-CD1 3.98Å; L771-I773 HydrophobicContact CD2-CG1 4.04Å; L771-I773 HydrophobicContact CG-CD1 4.42Å; L771-I773 HydrophobicContact CG-CG1 3.96Å
772	Q	96.7	Very high	93.7	Very high	9 Å²	9	30.6 Å²	30.6	4%	0.042	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	142.9	165.1	-63.7	-170.3	-1.9	0	0	110.1	T747 V749 F757 V758 V765 W770	T747-Q772 CarbonylContact O-C 3.57Å; T747-Q772 WeakPolarHBondContact O-CA 3.37Å; V749-Q772 HydrophobicContact CG2-CB 4.4Å; F757-Q772 HydrophobicContact CD2-CG 4.25Å; V758-Q772 HydrophobicContact CG1-CB 3.79Å; V758-Q772 HydrophobicContact CG2-CB 4.46Å; V765-Q772 PolarHBondContact N-O 2.89Å; V765-Q772 VanDerWaalsContact N-O 3.13Å; V765-Q772 PolarHBondContact O-N 3.34Å; W770-Q772 HydrophobicContact CZ2-CG 4.44Å
773	I	97.8	Very high	93.7	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.021	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	111.8	-176.4	-55	-178.9	0	0	0	107.8	L708 V710 I746 T747 L748 V749 P763 Y764 L771 L775	L708-I773 HydrophobicContact CD2-CD1 3.74Å; L708-I773 HydrophobicContact CD2-CG1 3.9Å; V710-I773 HydrophobicContact CG2-CD1 4.04Å; I746-I773 HydrophobicContact CG2-CD1 3.65Å; I746-I773 HydrophobicContact CG2-CG1 4.23Å; T747-I773 PolarHBondContact O-N 3.34Å; L748-I773 HydrophobicContact CD2-CB 4.01Å; L748-I773 HydrophobicContact CD2-CD1 3.94Å; L748-I773 HydrophobicContact CD2-CG1 4.4Å; L748-I773 HydrophobicContact CD2-CG2 4.33Å; V749-I773 PolarHBondContact N-O 3.48Å; P763-I773 CarbonylContact O-C 3.16Å; P763-I773 WeakPolarHBondContact O-CA 3.16Å; Y764-I773 HydrophobicContact CD1-CB 4.35Å; Y764-I773 HydrophobicContact CD1-CG2 3.78Å; Y764-I773 HydrophobicContact CE1-CG2 3.63Å; L771-I773 HydrophobicContact CD1-CG1 4.48Å; L771-I773 HydrophobicContact CD2-CD1 3.98Å; L771-I773 HydrophobicContact CD2-CG1 4.04Å; L771-I773 HydrophobicContact CG-CD1 4.42Å; L771-I773 HydrophobicContact CG-CG1 3.96Å; I773-L775 HydrophobicContact CG2-CD2 3.89Å; I773-L775 HydrophobicContact CG2-CG 4.19Å
774	L	97.4	Very high	93.4	Very high	16 Å²	16	29.9 Å²	29.9	8%	0.084	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	134.1	169.6	-174.1	65.7	0	0	0	110	V749 V758 S759 E760 P763 T776	V749-L774 HydrophobicContact CG1-CD1 4.35Å; V749-L774 CarbonylContact O-C 3.41Å; V749-L774 WeakPolarHBondContact O-CA 3.44Å; V758-L774 HydrophobicContact CB-CB 4.04Å; V758-L774 HydrophobicContact CG2-CB 3.85Å; V758-L774 HydrophobicContact CG2-CD1 4.48Å; S759-L774 WeakPolarHBondContact O-CD2 3.45Å; E760-L774 HydrophobicContact CB-CD2 4.49Å; E760-L774 HydrophobicContact CG-CD2 3.89Å; P763-L774 HydrophobicContact CB-CB 3.99Å; P763-L774 PolarHBondContact O-N 2.88Å; L774-T776 HydrophobicContact CD2-CG2 4.3Å; L774-T776 HydrophobicContact CG-CG2 4.42Å
775	L	96.5	Very high	93	Very high	8 Å²	8	35.6 Å²	35.6	4%	0.042	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	105.3	174.5	-59.3	175.3	0	0	0	107.4	L728 L748 V749 P750 I773 F779 L780 L783 L809	L728-L775 HydrophobicContact CD1-CD1 3.62Å; L748-L775 HydrophobicContact CB-CD1 4.17Å; L748-L775 HydrophobicContact CD1-CD1 4.18Å; L748-L775 HydrophobicContact CD2-CD1 4.18Å; L748-L775 HydrophobicContact CG-CD1 4.41Å; V749-L775 PolarHBondContact O-N 2.75Å; P750-L775 WeakPolarHBondContact CA-O 3.44Å; I773-L775 HydrophobicContact CG2-CD2 3.89Å; I773-L775 HydrophobicContact CG2-CG 4.19Å; L775-F779 HydrophobicContact CB-CD1 4.5Å; L775-F779 HydrophobicContact CD2-CD1 3.64Å; L775-F779 HydrophobicContact CD2-CE1 3.48Å; L775-F779 VanDerWaalsContact CD2-CE1 3.48Å; L775-L780 HydrophobicContact CB-CD2 3.81Å; L775-L783 HydrophobicContact CD1-CD1 4.03Å; L775-L783 HydrophobicContact CD2-CD1 4.12Å; L775-L783 HydrophobicContact CG-CD1 4.48Å; L775-L809 HydrophobicContact CD2-CD2 4.47Å
776	T	94.6	Very high	92.8	Very high	29 Å²	29	36.8 Å²	36.8	18%	0.178	18%	0.179	C	C	.	.			trans	-73	155.9	-176.8	51	0	0	0	0	111.7	E760 L774 D778 F779 L780	E760-T776 HydrophobicContact CG-CG2 4.17Å; L774-T776 HydrophobicContact CD2-CG2 4.3Å; L774-T776 HydrophobicContact CG-CG2 4.42Å; T776-D778 VanDerWaalsContact C-N 3.29Å; T776-D778 WeakPolarHBondContact CB-OD1 3.31Å; T776-D778 PolarHBondContact O-N 3.18Å; T776-D778 PolarHBondContact OG1-OD1 3.47Å; T776-F779 WeakPolarHBondContact O-CA 3.37Å; T776-F779 WeakPolarHBondContact O-CB 3.42Å; T776-F779 PolarHBondContact O-N 2.97Å; T776-L780 PolarHBondContact O-N 3.2Å
777	D	92.6	Very high	92.7	Very high	89 Å²	89	37 Å²	37	48%	0.476	18%	0.18	S	C	.	.	H	α-helix	trans	-61.6	-33.3	-169.2	-62.8	-41.6	0	0	0	113.8	F779 L780 E781	D777-F779 VanDerWaalsContact C-N 3.3Å; D777-F779 PolarHBondContact O-N 2.68Å; D777-L780 PolarHBondContact O-N 2.89Å; D777-E781 PolarHBondContact O-N 3.43Å
778	D	92.2	Very high	92.5	Very high	86 Å²	86	36.5 Å²	36.5	46%	0.46	18%	0.184	S	C	.	.	H	α-helix	trans	-62	-37.5	171.6	68.4	-59.3	0	0	0	112.2	T776 R807	T776-D778 VanDerWaalsContact C-N 3.29Å; T776-D778 WeakPolarHBondContact CB-OD1 3.31Å; T776-D778 PolarHBondContact O-N 3.18Å; T776-D778 PolarHBondContact OG1-OD1 3.47Å; D778-R807 IonicContact OD2-CZ 2.7Å; D778-R807 IonicContact OD2-NH2 3.74Å; D778-R807 PolarHBondContact OD2-NH2 3.31Å
779	F	94.2	Very high	92.3	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.009	19%	0.187	C	C	.	.	H	α-helix	trans	-77	-31.3	179.4	-170.4	-149	0	0	0	111.1	L775 T776 D777 E781 Q782 L783 W804 R807 L809	L775-F779 HydrophobicContact CB-CD1 4.5Å; L775-F779 HydrophobicContact CD2-CD1 3.64Å; L775-F779 HydrophobicContact CD2-CE1 3.48Å; L775-F779 VanDerWaalsContact CD2-CE1 3.48Å; T776-F779 WeakPolarHBondContact O-CA 3.37Å; T776-F779 WeakPolarHBondContact O-CB 3.42Å; T776-F779 PolarHBondContact O-N 2.97Å; D777-F779 VanDerWaalsContact C-N 3.3Å; D777-F779 PolarHBondContact O-N 2.68Å; F779-E781 PolarHBondContact O-N 2.94Å; F779-Q782 HydrophobicContact CD2-CB 4.3Å; F779-Q782 PolarHBondContact O-N 2.66Å; F779-L783 HydrophobicContact CD1-CD1 4.01Å; F779-L783 HydrophobicContact CD2-CD1 4.41Å; F779-L783 HydrophobicContact CD2-CD2 4.5Å; F779-L783 HydrophobicContact CD2-CG 4.08Å; F779-L783 HydrophobicContact CE1-CD1 4.01Å; F779-L783 HydrophobicContact CE1-CD2 4.48Å; F779-L783 HydrophobicContact CE1-CG 4.44Å; F779-L783 HydrophobicContact CE2-CD1 4.38Å; F779-L783 HydrophobicContact CE2-CD2 3.87Å; F779-L783 HydrophobicContact CE2-CG 3.94Å; F779-L783 HydrophobicContact CG-CD1 4.21Å; F779-L783 HydrophobicContact CG-CG 4.36Å; F779-L783 HydrophobicContact CZ-CD1 4.18Å; F779-L783 HydrophobicContact CZ-CD2 3.86Å; F779-L783 HydrophobicContact CZ-CG 4.14Å; F779-L783 VanDerWaalsContact O-CG 3.26Å; F779-L783 WeakPolarHBondContact O-CG 3.46Å; F779-L783 PolarHBondContact O-N 2.94Å; F779-W804 HydrophobicContact CE2-CB 4.36Å; F779-W804 AromaticContact CE2-CD1 3.56Å; F779-W804 AromaticContact CE2-CD2 3.91Å; F779-W804 HydrophobicContact CE2-CD2 3.91Å; F779-W804 AromaticContact CE2-CE2 3.89Å; F779-W804 AromaticContact CE2-CG 3.68Å; F779-W804 HydrophobicContact CE2-CG 3.68Å; F779-W804 AromaticContact CE2-NE1 3.68Å; F779-W804 HydrophobicContact CZ-CB 4.23Å; F779-W804 AromaticContact CZ-CD2 3.65Å; F779-W804 HydrophobicContact CZ-CD2 3.65Å; F779-W804 AromaticContact CZ-CE2 3.96Å; F779-W804 HydrophobicContact CZ-CE3 4.07Å; F779-W804 AromaticContact CZ-CG 3.71Å; F779-W804 HydrophobicContact CZ-CG 3.71Å; F779-R807 HydrophobicContact CD1-CG 4.39Å; F779-R807 HydrophobicContact CD2-CG 4.33Å; F779-R807 HydrophobicContact CE1-CB 4.49Å; F779-R807 HydrophobicContact CE1-CG 4.23Å; F779-R807 HydrophobicContact CE2-CG 4.19Å; F779-R807 HydrophobicContact CG-CG 4.46Å; F779-R807 HydrophobicContact CZ-CB 4.43Å; F779-R807 HydrophobicContact CZ-CG 4.14Å; F779-L809 HydrophobicContact CE1-CD2 3.95Å; F779-L809 HydrophobicContact CZ-CD2 4.1Å
780	L	94.3	Very high	92.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.7	-32.9	173.5	-61.1	-177.3	0	0	0	112.4	V724 L728 R729 L775 T776 D777 L783 E784	V724-L780 HydrophobicContact CG1-CB 4.43Å; V724-L780 HydrophobicContact CG1-CD2 4.32Å; L728-L780 HydrophobicContact CB-CD1 3.89Å; L728-L780 HydrophobicContact CB-CD2 3.71Å; L728-L780 HydrophobicContact CB-CG 4.5Å; L728-L780 HydrophobicContact CD1-CD2 3.87Å; L728-L780 HydrophobicContact CG-CD2 4.37Å; R729-L780 HydrophobicContact CG-CB 4.39Å; R729-L780 HydrophobicContact CG-CD1 4.22Å; L775-L780 HydrophobicContact CB-CD2 3.81Å; T776-L780 PolarHBondContact O-N 3.2Å; D777-L780 PolarHBondContact O-N 2.89Å; L780-L783 HydrophobicContact CD2-CD1 4.46Å; L780-L783 PolarHBondContact O-N 3.13Å; L780-E784 PolarHBondContact O-N 3.33Å
781	E	89.5	Confident	91.7	Very high	126 Å²	126	38.8 Å²	38.8	59%	0.589	20%	0.197	S	C	*	.	H	α-helix	trans	-66.5	-43	175.1	-50.1	-157.2	143	0	0	112.4	D777 F779 L783 F785	D777-E781 PolarHBondContact O-N 3.43Å; F779-E781 PolarHBondContact O-N 2.94Å; E781-L783 VanDerWaalsContact C-N 3.35Å; E781-F785 PolarHBondContact O-N 3.42Å
782	Q	91.8	Very high	90.9	Very high	64 Å²	64	43.9 Å²	43.9	30%	0.299	22%	0.217	S	C	.	.	H	α-helix	trans	-65	-39.5	175.2	-170.9	-178.9	11.9	0	0	111.6	F779 Q786	F779-Q782 HydrophobicContact CD2-CB 4.3Å; F779-Q782 PolarHBondContact O-N 2.66Å; Q782-Q786 WeakPolarHBondContact O-CB 3.37Å; Q782-Q786 WeakPolarHBondContact O-CG 3.18Å; Q782-Q786 PolarHBondContact O-N 2.82Å
783	L	93.4	Very high	89.8	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-70.5	-40.1	-179.6	-68	175.1	0	0	0	113	V724 L775 F779 L780 E781 F785 Q786 F787 W804	V724-L783 HydrophobicContact CG1-CB 4.14Å; V724-L783 HydrophobicContact CG2-CB 4Å; V724-L783 HydrophobicContact CG2-CD1 4.44Å; L775-L783 HydrophobicContact CD1-CD1 4.03Å; L775-L783 HydrophobicContact CD2-CD1 4.12Å; L775-L783 HydrophobicContact CG-CD1 4.48Å; F779-L783 HydrophobicContact CD1-CD1 4.01Å; F779-L783 HydrophobicContact CD2-CD1 4.41Å; F779-L783 HydrophobicContact CD2-CD2 4.5Å; F779-L783 HydrophobicContact CD2-CG 4.08Å; F779-L783 HydrophobicContact CE1-CD1 4.01Å; F779-L783 HydrophobicContact CE1-CD2 4.48Å; F779-L783 HydrophobicContact CE1-CG 4.44Å; F779-L783 HydrophobicContact CE2-CD1 4.38Å; F779-L783 HydrophobicContact CE2-CD2 3.87Å; F779-L783 HydrophobicContact CE2-CG 3.94Å; F779-L783 HydrophobicContact CG-CD1 4.21Å; F779-L783 HydrophobicContact CG-CG 4.36Å; F779-L783 HydrophobicContact CZ-CD1 4.18Å; F779-L783 HydrophobicContact CZ-CD2 3.86Å; F779-L783 HydrophobicContact CZ-CG 4.14Å; F779-L783 VanDerWaalsContact O-CG 3.26Å; F779-L783 WeakPolarHBondContact O-CG 3.46Å; F779-L783 PolarHBondContact O-N 2.94Å; L780-L783 HydrophobicContact CD2-CD1 4.46Å; L780-L783 PolarHBondContact O-N 3.13Å; E781-L783 VanDerWaalsContact C-N 3.35Å; L783-F785 VanDerWaalsContact C-N 3.3Å; L783-F785 PolarHBondContact O-N 2.97Å; L783-Q786 PolarHBondContact O-N 2.79Å; L783-F787 HydrophobicContact CB-CD2 4.26Å; L783-F787 HydrophobicContact CB-CE2 4.17Å; L783-F787 HydrophobicContact CD2-CE1 4.39Å; L783-F787 HydrophobicContact CD2-CE2 3.89Å; L783-F787 HydrophobicContact CD2-CZ 3.77Å; L783-F787 HydrophobicContact CG-CE2 4.45Å; L783-F787 VanDerWaalsContact O-CB 3.27Å; L783-F787 WeakPolarHBondContact O-CB 3.38Å; L783-F787 WeakPolarHBondContact O-CG 3.41Å; L783-F787 PolarHBondContact O-N 2.79Å; L783-W804 HydrophobicContact CD2-CH2 3.69Å; L783-W804 HydrophobicContact CD2-CZ2 3.3Å
784	E	90.2	Very high	88.7	Confident	59 Å²	59	52.7 Å²	52.7	28%	0.276	27%	0.267	S	S	.	.	H	α-helix	trans	-55.7	-47.2	174	172.4	169.7	-171.1	0	0	110.7	V724 N725 R729 L780 S788	V724-E784 HydrophobicContact CG1-CB 4.29Å; N725-E784 WeakPolarHBondContact OD1-CB 3.36Å; N725-E784 VanDerWaalsContact OD1-CG 3.29Å; N725-E784 WeakPolarHBondContact OD1-CG 3.48Å; R729-E784 IonicContact CZ-OE2 3.82Å; R729-E784 IonicContact NE-OE2 3.55Å; R729-E784 PolarHBondContact NE-OE2 3.41Å; R729-E784 IonicContact NH2-OE2 2.69Å; R729-E784 PolarHBondContact NH2-OE2 2.9Å; L780-E784 PolarHBondContact O-N 3.33Å; E784-S788 PolarHBondContact O-N 3.03Å
785	F	89.1	Confident	87.6	Confident	127 Å²	127	57.2 Å²	57.2	56%	0.557	29%	0.288	S	S	*	.	H	α-helix	trans	-65	-49.1	179.2	-176.5	-104	0	0	0	112.3	M469 E781 L783 S788	M469-F785 HydrophobicContact CE-CE1 4.25Å; M469-F785 HydrophobicContact CE-CZ 4.04Å; M469-F785 HydrophobicContact SD-CE1 4.08Å; M469-F785 HydrophobicContact SD-CE2 4.41Å; M469-F785 HydrophobicContact SD-CZ 3.5Å; M469-F785 WeakPolarHBondContact SD-CZ 3.32Å; E781-F785 PolarHBondContact O-N 3.42Å; L783-F785 VanDerWaalsContact C-N 3.3Å; L783-F785 PolarHBondContact O-N 2.97Å; F785-S788 VanDerWaalsContact O-CB 3.31Å; F785-S788 WeakPolarHBondContact O-CB 3.44Å; F785-S788 PolarHBondContact O-N 3.43Å; F785-S788 PolarHBondContact O-OG 3.33Å
786	Q	91.2	Very high	86.8	Confident	28 Å²	28	57.9 Å²	57.9	13%	0.131	29%	0.291	C	S	.	.	H	α-helix	trans	-73	-33.7	-175.4	-70.5	-178.1	-15.8	0	0	113.4	Q782 L783 S788 C789 F802	Q782-Q786 WeakPolarHBondContact O-CB 3.37Å; Q782-Q786 WeakPolarHBondContact O-CG 3.18Å; Q782-Q786 PolarHBondContact O-N 2.82Å; L783-Q786 PolarHBondContact O-N 2.79Å; Q786-S788 VanDerWaalsContact C-N 3.3Å; Q786-S788 PolarHBondContact O-N 3.24Å; Q786-C789 PolarHBondContact O-SG 3.28Å; Q786-F802 HydrophobicContact CB-CD1 4.45Å; Q786-F802 HydrophobicContact CB-CE1 4.41Å
787	F	92.9	Very high	86.2	Confident	4 Å²	4	58.8 Å²	58.8	2%	0.018	29%	0.293	C	S	.	.	H	α-helix	trans	-80.3	-5.9	175.9	-65.1	-22.6	0	0	0	114	L720 P721 V724 L783 C789 L790 F802 W804 I811	L720-F787 HydrophobicContact CB-CD2 3.78Å; L720-F787 HydrophobicContact CB-CE2 3.92Å; L720-F787 HydrophobicContact CB-CG 4.21Å; L720-F787 HydrophobicContact CB-CZ 4.44Å; L720-F787 HydrophobicContact CD1-CE1 4.08Å; L720-F787 HydrophobicContact CD1-CE2 4.22Å; L720-F787 HydrophobicContact CD1-CZ 3.92Å; L720-F787 HydrophobicContact CD2-CE2 4.24Å; L720-F787 HydrophobicContact CD2-CZ 4.48Å; L720-F787 HydrophobicContact CG-CE2 4.35Å; P721-F787 HydrophobicContact CG-CB 4.31Å; V724-F787 HydrophobicContact CG2-CD2 3.76Å; V724-F787 HydrophobicContact CG2-CE2 3.88Å; L783-F787 HydrophobicContact CB-CD2 4.26Å; L783-F787 HydrophobicContact CB-CE2 4.17Å; L783-F787 HydrophobicContact CD2-CE1 4.39Å; L783-F787 HydrophobicContact CD2-CE2 3.89Å; L783-F787 HydrophobicContact CD2-CZ 3.77Å; L783-F787 HydrophobicContact CG-CE2 4.45Å; L783-F787 VanDerWaalsContact O-CB 3.27Å; L783-F787 WeakPolarHBondContact O-CB 3.38Å; L783-F787 WeakPolarHBondContact O-CG 3.41Å; L783-F787 PolarHBondContact O-N 2.79Å; F787-C789 PolarHBondContact O-N 2.82Å; F787-C789 VanDerWaalsContact O-N 3.1Å; F787-L790 HydrophobicContact CB-CD1 3.95Å; F787-L790 HydrophobicContact CB-CG 4.44Å; F787-L790 HydrophobicContact CD1-CD1 3.79Å; F787-L790 HydrophobicContact CG-CD1 3.98Å; F787-L790 VanDerWaalsContact O-CB 3.27Å; F787-L790 WeakPolarHBondContact O-CB 3.48Å; F787-L790 WeakPolarHBondContact O-CG 3.42Å; F787-L790 PolarHBondContact O-N 2.98Å; F787-F802 HydrophobicContact CD1-CD1 4.38Å; F787-F802 HydrophobicContact CD1-CD2 4.47Å; F787-F802 AromaticContact CD1-CE1 4Å; F787-F802 HydrophobicContact CD1-CE1 4Å; F787-F802 HydrophobicContact CD1-CE2 4.1Å; F787-F802 AromaticContact CD1-CZ 3.84Å; F787-F802 HydrophobicContact CD1-CZ 3.84Å; F787-F802 HydrophobicContact CE1-CD1 4.24Å; F787-F802 AromaticContact CE1-CD2 3.95Å; F787-F802 HydrophobicContact CE1-CD2 3.95Å; F787-F802 HydrophobicContact CE1-CE1 4.28Å; F787-F802 AromaticContact CE1-CE2 3.99Å; F787-F802 HydrophobicContact CE1-CE2 3.99Å; F787-F802 HydrophobicContact CE1-CG 4.09Å; F787-F802 HydrophobicContact CE1-CZ 4.15Å; F787-W804 AromaticContact CE1-CH2 3.97Å; F787-W804 HydrophobicContact CE1-CH2 3.97Å; F787-W804 HydrophobicContact CE1-CZ2 4.34Å; F787-W804 AromaticContact CZ-CH2 3.99Å; F787-W804 HydrophobicContact CZ-CH2 3.99Å; F787-I811 HydrophobicContact CZ-CD1 4.22Å
788	S	85.3	Confident	85.9	Confident	38 Å²	38	56.4 Å²	56.4	27%	0.266	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-53	-32.3	174.9	65.9	0	0	0	0	113.6	E784 F785 Q786 L790 L791	E784-S788 PolarHBondContact O-N 3.03Å; F785-S788 VanDerWaalsContact O-CB 3.31Å; F785-S788 WeakPolarHBondContact O-CB 3.44Å; F785-S788 PolarHBondContact O-N 3.43Å; F785-S788 PolarHBondContact O-OG 3.33Å; Q786-S788 VanDerWaalsContact C-N 3.3Å; Q786-S788 PolarHBondContact O-N 3.24Å; S788-L790 PolarHBondContact O-N 2.85Å; S788-L791 WeakPolarHBondContact O-CB 3.17Å; S788-L791 WeakPolarHBondContact O-CG 3.42Å; S788-L791 PolarHBondContact O-N 3.46Å
789	C	83.8	Confident	85.8	Confident	25 Å²	25	53.4 Å²	53.4	17%	0.169	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-64.9	-22	175.9	64.5	0	0	0	0	114.1	A468 Q786 F787 L791 Y792	A468-C789 HydrophobicContact CB-CB 4.43Å; Q786-C789 PolarHBondContact O-SG 3.28Å; F787-C789 PolarHBondContact O-N 2.82Å; F787-C789 VanDerWaalsContact O-N 3.1Å; C789-L791 PolarHBondContact O-N 2.87Å; C789-Y792 PolarHBondContact O-N 3.36Å
790	L	87.1	Confident	85.6	Confident	3 Å²	3	53.6 Å²	53.6	2%	0.016	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-76	-13.1	179.6	-52.4	179.2	0	0	0	112.6	G717 L720 P721 F787 S788 Y792 L796 L800 F802 L813	G717-L790 WeakPolarHBondContact O-CD1 3.5Å; L720-L790 HydrophobicContact CB-CD1 3.95Å; L720-L790 HydrophobicContact CD1-CD1 3.9Å; P721-L790 HydrophobicContact CG-CB 3.86Å; F787-L790 HydrophobicContact CB-CD1 3.95Å; F787-L790 HydrophobicContact CB-CG 4.44Å; F787-L790 HydrophobicContact CD1-CD1 3.79Å; F787-L790 HydrophobicContact CG-CD1 3.98Å; F787-L790 VanDerWaalsContact O-CB 3.27Å; F787-L790 WeakPolarHBondContact O-CB 3.48Å; F787-L790 WeakPolarHBondContact O-CG 3.42Å; F787-L790 PolarHBondContact O-N 2.98Å; S788-L790 PolarHBondContact O-N 2.85Å; L790-Y792 PolarHBondContact O-N 3.38Å; L790-L796 HydrophobicContact CD2-CD1 4.27Å; L790-L796 HydrophobicContact CD2-CD2 3.93Å; L790-L800 HydrophobicContact CD2-CD2 3.63Å; L790-F802 HydrophobicContact CD1-CE2 4.41Å; L790-F802 HydrophobicContact CD1-CZ 4.34Å; L790-F802 HydrophobicContact CD2-CE2 4.36Å; L790-F802 HydrophobicContact CD2-CZ 4.13Å; L790-F802 HydrophobicContact CG-CZ 4.37Å; L790-L813 HydrophobicContact CD1-CD1 4.27Å; L790-L813 HydrophobicContact CD2-CD1 3.56Å
791	L	81	Confident	85.5	Confident	96 Å²	96	53.8 Å²	53.8	50%	0.503	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-70.2	-11.9	174	-62.2	170.4	0	0	0	113.1	P721 S788 C789 P793	P721-L791 HydrophobicContact CB-CD2 3.75Å; P721-L791 HydrophobicContact CB-CG 4.3Å; P721-L791 HydrophobicContact CG-CD2 3.99Å; P721-L791 HydrophobicContact CG-CG 4.27Å; S788-L791 WeakPolarHBondContact O-CB 3.17Å; S788-L791 WeakPolarHBondContact O-CG 3.42Å; S788-L791 PolarHBondContact O-N 3.46Å; C789-L791 PolarHBondContact O-N 2.87Å; L791-P793 WeakPolarHBondContact O-CD 3.27Å
792	Y	78.3	Confident	85.7	Confident	106 Å²	106	48 Å²	48	42%	0.416	24%	0.241	S	C	.	.			trans	-116.1	65.2	-177.2	-55.7	-80.9	0	0	0	111.4	T466 C789 L790 N794 E795	T466-Y792 PolarHBondContact OG1-OH 3.02Å; C789-Y792 PolarHBondContact O-N 3.36Å; L790-Y792 PolarHBondContact O-N 3.38Å; Y792-N794 PolarHBondContact O-N 2.85Å; Y792-E795 PolarHBondContact O-N 2.87Å
793	P	72.7	Confident	85.8	Confident	40 Å²	40	46.4 Å²	46.4	26%	0.26	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-59.4	-27.4	-167.9	22.8	-35.1	0	0	0	114.4	R714 E718 L791 E795 L796	R714-P793 VanDerWaalsContact NH2-C 3.34Å; R714-P793 PolarHBondContact NH2-O 3.2Å; E718-P793 HydrophobicContact CG-CB 4.22Å; E718-P793 VanDerWaalsContact OE1-CB 3.23Å; E718-P793 WeakPolarHBondContact OE1-CB 3.1Å; L791-P793 WeakPolarHBondContact O-CD 3.27Å; P793-E795 PolarHBondContact O-N 3.4Å; P793-L796 HydrophobicContact CB-CD1 4.46Å; P793-L796 PolarHBondContact O-N 3.16Å
794	N	75.3	Confident	85.8	Confident	159 Å²	159	46.4 Å²	46.4	85%	0.85	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-67.6	-17.1	179	-63.9	-31.4	0	0	0	113.7	Y792	Y792-N794 PolarHBondContact O-N 2.85Å
795	E	74.6	Confident	85.8	Confident	111 Å²	111	45.3 Å²	45.3	52%	0.519	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-106.7	-1	-178.1	-63.2	179.1	-151.4	0	0	112.9	Y792 P793 H797	Y792-E795 PolarHBondContact O-N 2.87Å; P793-E795 PolarHBondContact O-N 3.4Å; E795-H797 PolarHBondContact O-N 3.38Å
796	L	78.4	Confident	85.9	Confident	21 Å²	21	44.1 Å²	44.1	11%	0.11	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-71.5	117	179.7	-66.7	179.2	0	0	0	111.7	E718 L790 P793 L800	E718-L796 HydrophobicContact CG-CD1 4.34Å; L790-L796 HydrophobicContact CD2-CD1 4.27Å; L790-L796 HydrophobicContact CD2-CD2 3.93Å; P793-L796 HydrophobicContact CB-CD1 4.46Å; P793-L796 PolarHBondContact O-N 3.16Å; L796-L800 HydrophobicContact CD2-CD2 3.97Å
797	H	83.2	Confident	86	Confident	48 Å²	48	46.6 Å²	46.6	22%	0.222	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-103.3	116.9	170.2	-60.1	-40.9	0	0	0	110	L415 R416 E795	L415-H797 HydrophobicContact CB-CB 4.49Å; L415-H797 HydrophobicContact CD2-CB 4.37Å; R416-H797 HydrophobicContact CG-CB 4.24Å; E795-H797 PolarHBondContact O-N 3.38Å
798	L	86.6	Confident	86.1	Confident	39 Å²	39	50 Å²	50	20%	0.204	25%	0.25	C	C	.	.	S	Bend	trans	-94.4	154.9	-177.2	-59.5	179.8	0	0	0	111.5	R714 L800 L813 D815	R714-L798 HydrophobicContact CB-CD1 3.93Å; R714-L798 HydrophobicContact CG-CD1 4.16Å; L798-L800 HydrophobicContact CD2-CB 4.01Å; L798-L813 HydrophobicContact CD2-CB 3.81Å; L798-D815 HydrophobicContact CD1-CB 4.03Å
799	P	88.9	Confident	86.6	Confident	23 Å²	23	48.2 Å²	48.2	15%	0.149	24%	0.237	C	C	.	.	S	Bend	cis	-71.2	142.4	-5.4	31	-35.2	0	0	0	112.1	P407 S412 V801 L813	P407-P799 WeakPolarHBondContact O-CG 3.47Å; S412-P799 WeakPolarHBondContact CB-O 3.18Å; S412-P799 PolarHBondContact OG-O 2.94Å; P799-V801 HydrophobicContact CB-CG2 4.44Å; P799-L813 VanDerWaalsContact CA-O 3.24Å; P799-L813 WeakPolarHBondContact CA-O 3.38Å
800	L	90.6	Very high	87.1	Confident	6 Å²	6	47.5 Å²	47.5	3%	0.031	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	122.1	175.6	176.5	58.5	0	0	0	108.5	L790 L796 L798 F802 L813	L790-L800 HydrophobicContact CD2-CD2 3.63Å; L796-L800 HydrophobicContact CD2-CD2 3.97Å; L798-L800 HydrophobicContact CD2-CB 4.01Å; L800-F802 HydrophobicContact CD2-CE2 4.05Å; L800-F802 HydrophobicContact CD2-CZ 3.89Å; L800-F802 HydrophobicContact CG-CE2 3.9Å; L800-F802 HydrophobicContact CG-CZ 4.04Å; L800-L813 HydrophobicContact CB-CB 4.32Å; L800-L813 HydrophobicContact CD2-CD1 4.37Å; L800-L813 PolarHBondContact N-O 3.42Å; L800-L813 VanDerWaalsContact N-O 3.11Å; L800-L813 PolarHBondContact O-N 3.43Å
801	V	91.9	Very high	87.5	Confident	5 Å²	5	48 Å²	48	3%	0.03	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	113.4	-166.1	-164.8	0	0	0	0	110.5	L406 E409 P799 R803 R810 C812	L406-V801 HydrophobicContact CD1-CG1 4.05Å; L406-V801 HydrophobicContact CD1-CG2 3.98Å; E409-V801 HydrophobicContact CG-CB 4.45Å; E409-V801 HydrophobicContact CG-CG2 3.87Å; P799-V801 HydrophobicContact CB-CG2 4.44Å; V801-R803 HydrophobicContact CG1-CG 4.41Å; V801-R810 HydrophobicContact CG1-CG 3.83Å; V801-C812 HydrophobicContact CG1-CB 4.44Å
802	F	93.6	Very high	88.1	Confident	4 Å²	4	43.5 Å²	43.5	2%	0.018	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	139	172.5	-54.8	-89.9	0	0	0	109.5	T471 Q786 F787 L790 L800 W804 R810 I811	T471-F802 HydrophobicContact CG2-CD1 4.47Å; Q786-F802 HydrophobicContact CB-CD1 4.45Å; Q786-F802 HydrophobicContact CB-CE1 4.41Å; F787-F802 HydrophobicContact CD1-CD1 4.38Å; F787-F802 HydrophobicContact CD1-CD2 4.47Å; F787-F802 AromaticContact CD1-CE1 4Å; F787-F802 HydrophobicContact CD1-CE1 4Å; F787-F802 HydrophobicContact CD1-CE2 4.1Å; F787-F802 AromaticContact CD1-CZ 3.84Å; F787-F802 HydrophobicContact CD1-CZ 3.84Å; F787-F802 HydrophobicContact CE1-CD1 4.24Å; F787-F802 AromaticContact CE1-CD2 3.95Å; F787-F802 HydrophobicContact CE1-CD2 3.95Å; F787-F802 HydrophobicContact CE1-CE1 4.28Å; F787-F802 AromaticContact CE1-CE2 3.99Å; F787-F802 HydrophobicContact CE1-CE2 3.99Å; F787-F802 HydrophobicContact CE1-CG 4.09Å; F787-F802 HydrophobicContact CE1-CZ 4.15Å; L790-F802 HydrophobicContact CD1-CE2 4.41Å; L790-F802 HydrophobicContact CD1-CZ 4.34Å; L790-F802 HydrophobicContact CD2-CE2 4.36Å; L790-F802 HydrophobicContact CD2-CZ 4.13Å; L790-F802 HydrophobicContact CG-CZ 4.37Å; L800-F802 HydrophobicContact CD2-CE2 4.05Å; L800-F802 HydrophobicContact CD2-CZ 3.89Å; L800-F802 HydrophobicContact CG-CE2 3.9Å; L800-F802 HydrophobicContact CG-CZ 4.04Å; F802-W804 HydrophobicContact CB-CH2 3.26Å; F802-W804 HydrophobicContact CB-CZ2 3.63Å; F802-W804 HydrophobicContact CB-CZ3 3.76Å; F802-W804 HydrophobicContact CD1-CZ2 4.44Å; F802-W804 HydrophobicContact CG-CH2 4.03Å; F802-W804 HydrophobicContact CG-CZ2 4.29Å; F802-R810 WeakPolarHBondContact O-CA 3.4Å; F802-R810 WeakPolarHBondContact O-CG 3.45Å; F802-I811 PolarHBondContact N-O 2.74Å; F802-I811 PolarHBondContact O-N 3.49Å
803	R	93.2	Very high	88.9	Confident	31 Å²	31	38.5 Å²	38.5	12%	0.117	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	134.8	-179.2	-67.9	179.7	-179.8	79.7	-5.9	109.7	L402 E404 E409 V801 R810	L402-R803 WeakPolarHBondContact O-CD 3.45Å; L402-R803 PolarHBondContact O-NE 3.4Å; E404-R803 PolarHBondContact O-NH2 2.84Å; E409-R803 IonicContact OE1-CZ 3.79Å; E409-R803 IonicContact OE1-NH1 3.51Å; E409-R803 PolarHBondContact OE1-NH1 3.04Å; E409-R803 IonicContact OE1-NH2 3.18Å; E409-R803 IonicContact OE2-CZ 3.07Å; E409-R803 IonicContact OE2-NH1 2.73Å; E409-R803 PolarHBondContact OE2-NH1 3.37Å; E409-R803 IonicContact OE2-NH2 2.7Å; E409-R803 PolarHBondContact OE2-NH2 2.84Å; V801-R803 HydrophobicContact CG1-CG 4.41Å; R803-R810 HydrophobicContact CG-CB 4.38Å; R803-R810 HydrophobicContact CG-CG 4.01Å
804	W	94.2	Very high	89.7	Confident	1 Å²	1	38.1 Å²	38.1	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	80.2	174.9	-57.2	-79.8	0	0	0	109	F779 L783 F787 F802 E806 R807 H808 L809 I811	F779-W804 HydrophobicContact CE2-CB 4.36Å; F779-W804 AromaticContact CE2-CD1 3.56Å; F779-W804 AromaticContact CE2-CD2 3.91Å; F779-W804 HydrophobicContact CE2-CD2 3.91Å; F779-W804 AromaticContact CE2-CE2 3.89Å; F779-W804 AromaticContact CE2-CG 3.68Å; F779-W804 HydrophobicContact CE2-CG 3.68Å; F779-W804 AromaticContact CE2-NE1 3.68Å; F779-W804 HydrophobicContact CZ-CB 4.23Å; F779-W804 AromaticContact CZ-CD2 3.65Å; F779-W804 HydrophobicContact CZ-CD2 3.65Å; F779-W804 AromaticContact CZ-CE2 3.96Å; F779-W804 HydrophobicContact CZ-CE3 4.07Å; F779-W804 AromaticContact CZ-CG 3.71Å; F779-W804 HydrophobicContact CZ-CG 3.71Å; L783-W804 HydrophobicContact CD2-CH2 3.69Å; L783-W804 HydrophobicContact CD2-CZ2 3.3Å; F787-W804 AromaticContact CE1-CH2 3.97Å; F787-W804 HydrophobicContact CE1-CH2 3.97Å; F787-W804 HydrophobicContact CE1-CZ2 4.34Å; F787-W804 AromaticContact CZ-CH2 3.99Å; F787-W804 HydrophobicContact CZ-CH2 3.99Å; F802-W804 HydrophobicContact CB-CH2 3.26Å; F802-W804 HydrophobicContact CB-CZ2 3.63Å; F802-W804 HydrophobicContact CB-CZ3 3.76Å; F802-W804 HydrophobicContact CD1-CZ2 4.44Å; F802-W804 HydrophobicContact CG-CH2 4.03Å; F802-W804 HydrophobicContact CG-CZ2 4.29Å; W804-E806 VanDerWaalsContact CA-OE1 3.27Å; W804-E806 WeakPolarHBondContact CA-OE1 3.49Å; W804-E806 VanDerWaalsContact CB-OE1 3.29Å; W804-E806 WeakPolarHBondContact CB-OE1 3.18Å; W804-E806 PolarHBondContact O-N 3.43Å; W804-R807 HydrophobicContact CB-CB 3.91Å; W804-R807 HydrophobicContact CB-CG 4.27Å; W804-R807 CarbonylContact O-C 3.54Å; W804-R807 WeakPolarHBondContact O-CA 3.4Å; W804-R807 PolarHBondContact O-N 3.38Å; W804-H808 PolarHBondContact O-N 3.14Å; W804-L809 HydrophobicContact CE3-CB 4.09Å; W804-L809 HydrophobicContact CE3-CD2 3.88Å; W804-L809 HydrophobicContact CE3-CG 3.85Å; W804-L809 HydrophobicContact CZ3-CD2 4.06Å; W804-L809 HydrophobicContact CZ3-CG 4.17Å; W804-L809 PolarHBondContact N-O 2.68Å; W804-L809 PolarHBondContact O-N 2.64Å; W804-L809 VanDerWaalsContact O-N 3.08Å; W804-I811 HydrophobicContact CH2-CB 4.35Å; W804-I811 HydrophobicContact CH2-CD1 4.06Å; W804-I811 HydrophobicContact CH2-CG1 4.43Å; W804-I811 HydrophobicContact CZ3-CB 3.98Å; W804-I811 HydrophobicContact CZ3-CD1 3.78Å; W804-I811 HydrophobicContact CZ3-CG1 3.84Å
805	P	90.7	Very high	90	Very high	36 Å²	36	33.7 Å²	33.7	23%	0.234	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-51.5	-41.1	177.3	-28.4	37	0	0	0	113.5	L402 F478 R807 H808	L402-P805 HydrophobicContact CD2-CB 4.33Å; L402-P805 HydrophobicContact CD2-CG 4.48Å; F478-P805 HydrophobicContact CE1-CB 3.5Å; F478-P805 HydrophobicContact CE1-CG 3.57Å; F478-P805 HydrophobicContact CZ-CB 3.67Å; F478-P805 HydrophobicContact CZ-CG 3.81Å; P805-R807 PolarHBondContact O-N 2.87Å; P805-H808 PolarHBondContact O-CD2 2.89Å; P805-H808 PolarHBondContact O-N 3.38Å
806	E	91	Very high	89.8	Confident	102 Å²	102	31.3 Å²	31.3	48%	0.477	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-70.1	-2.6	174.4	69.3	-65.8	150.2	0	0	115.1	W804	W804-E806 VanDerWaalsContact CA-OE1 3.27Å; W804-E806 WeakPolarHBondContact CA-OE1 3.49Å; W804-E806 VanDerWaalsContact CB-OE1 3.29Å; W804-E806 WeakPolarHBondContact CB-OE1 3.18Å; W804-E806 PolarHBondContact O-N 3.43Å
807	R	93.1	Very high	88.7	Confident	81 Å²	81	35.2 Å²	35.2	31%	0.306	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-123.6	7	166.7	-60.9	-68.6	179.1	-81.1	0.8	111.8	Y764 D778 F779 W804 P805 L809	Y764-R807 WeakPolarHBondContact CE2-O 3.44Å; Y764-R807 PolarHBondContact OH-O 3.17Å; D778-R807 IonicContact OD2-CZ 2.7Å; D778-R807 IonicContact OD2-NH2 3.74Å; D778-R807 PolarHBondContact OD2-NH2 3.31Å; F779-R807 HydrophobicContact CD1-CG 4.39Å; F779-R807 HydrophobicContact CD2-CG 4.33Å; F779-R807 HydrophobicContact CE1-CB 4.49Å; F779-R807 HydrophobicContact CE1-CG 4.23Å; F779-R807 HydrophobicContact CE2-CG 4.19Å; F779-R807 HydrophobicContact CG-CG 4.46Å; F779-R807 HydrophobicContact CZ-CB 4.43Å; F779-R807 HydrophobicContact CZ-CG 4.14Å; W804-R807 HydrophobicContact CB-CB 3.91Å; W804-R807 HydrophobicContact CB-CG 4.27Å; W804-R807 CarbonylContact O-C 3.54Å; W804-R807 WeakPolarHBondContact O-CA 3.4Å; W804-R807 PolarHBondContact O-N 3.38Å; P805-R807 PolarHBondContact O-N 2.87Å; R807-L809 HydrophobicContact CB-CB 4.43Å; R807-L809 PolarHBondContact O-N 2.84Å; R807-L809 VanDerWaalsContact O-N 3.12Å
808	H	95.3	Very high	86.5	Confident	74 Å²	74	36.8 Å²	36.8	34%	0.343	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	22.2	-173.2	-51	159.8	0	0	0	115.8	D706 Y707 L708 W804 P805	D706-H808 WeakPolarHBondContact O-CB 3.19Å; D706-H808 PolarHBondContact O-ND1 3Å; Y707-H808 WeakPolarHBondContact CA-O 3.48Å; Y707-H808 HydrophobicContact CD1-CB 3.56Å; Y707-H808 AromaticContact CD1-CG 3.86Å; Y707-H808 HydrophobicContact CD2-CB 4.41Å; Y707-H808 HydrophobicContact CE1-CB 3.85Å; Y707-H808 AromaticContact CE1-CD2 3.42Å; Y707-H808 VanDerWaalsContact CE1-CD2 3.42Å; Y707-H808 WeakPolarHBondContact CE1-CD2 3.37Å; Y707-H808 AromaticContact CE1-CG 3.64Å; Y707-H808 AromaticContact CE2-ND1 4Å; Y707-H808 HydrophobicContact CG-CB 3.84Å; Y707-H808 AromaticContact CZ-CD2 3.47Å; Y707-H808 VanDerWaalsContact CZ-CD2 3.47Å; Y707-H808 AromaticContact CZ-CE1 3.94Å; Y707-H808 AromaticContact CZ-CG 3.75Å; Y707-H808 AromaticContact CZ-NE2 3.61Å; Y707-H808 PolarHBondContact OH-NE2 3.26Å; L708-H808 PolarHBondContact N-O 3.47Å; W804-H808 PolarHBondContact O-N 3.14Å; P805-H808 PolarHBondContact O-CD2 2.89Å; P805-H808 PolarHBondContact O-N 3.38Å
809	L	95.9	Very high	83.9	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	140.9	-168.9	-178.2	63.9	0	0	0	112.8	L708 L775 F779 W804 R807 I811	L708-L809 HydrophobicContact CB-CD1 4.01Å; L708-L809 HydrophobicContact CD2-CD1 3.83Å; L708-L809 HydrophobicContact CG-CD1 3.95Å; L775-L809 HydrophobicContact CD2-CD2 4.47Å; F779-L809 HydrophobicContact CE1-CD2 3.95Å; F779-L809 HydrophobicContact CZ-CD2 4.1Å; W804-L809 HydrophobicContact CE3-CB 4.09Å; W804-L809 HydrophobicContact CE3-CD2 3.88Å; W804-L809 HydrophobicContact CE3-CG 3.85Å; W804-L809 HydrophobicContact CZ3-CD2 4.06Å; W804-L809 HydrophobicContact CZ3-CG 4.17Å; W804-L809 PolarHBondContact N-O 2.68Å; W804-L809 PolarHBondContact O-N 2.64Å; W804-L809 VanDerWaalsContact O-N 3.08Å; R807-L809 HydrophobicContact CB-CB 4.43Å; R807-L809 PolarHBondContact O-N 2.84Å; R807-L809 VanDerWaalsContact O-N 3.12Å; L809-I811 HydrophobicContact CD2-CD1 4.33Å; L809-I811 HydrophobicContact CG-CG1 4.47Å
810	R	94.5	Very high	81	Confident	10 Å²	10	43.1 Å²	43.1	4%	0.038	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	135.6	164.8	178	167.6	73.2	-162.8	2.9	110.8	T401 L402 E404 L708 D709 V710 V801 F802 R803	T401-R810 PolarHBondContact O-NH1 2.9Å; T401-R810 PolarHBondContact O-NH2 2.77Å; L402-R810 HydrophobicContact CD1-CB 3.64Å; L402-R810 PolarHBondContact O-NH1 3.08Å; E404-R810 PolarHBondContact O-NH1 3.24Å; L708-R810 PolarHBondContact O-N 3.32Å; D709-R810 VanDerWaalsContact CG-NH2 3.29Å; D709-R810 WeakPolarHBondContact OD1-CG 3.43Å; D709-R810 IonicContact OD1-CZ 3.41Å; D709-R810 IonicContact OD1-NE 2.74Å; D709-R810 PolarHBondContact OD1-NE 3.32Å; D709-R810 IonicContact OD1-NH2 2.75Å; D709-R810 IonicContact OD2-CZ 2.77Å; D709-R810 IonicContact OD2-NE 3.33Å; D709-R810 IonicContact OD2-NH2 2.74Å; D709-R810 PolarHBondContact OD2-NH2 3.35Å; V710-R810 PolarHBondContact N-O 2.83Å; V801-R810 HydrophobicContact CG1-CG 3.83Å; F802-R810 WeakPolarHBondContact O-CA 3.4Å; F802-R810 WeakPolarHBondContact O-CG 3.45Å; R803-R810 HydrophobicContact CG-CB 4.38Å; R803-R810 HydrophobicContact CG-CG 4.01Å
811	I	95.4	Very high	78	Confident	14 Å²	14	46.5 Å²	46.5	7%	0.072	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123.1	170.6	-65.9	172.5	0	0	0	108.3	V710 L712 L720 F787 F802 W804 L809 L813	V710-I811 HydrophobicContact CB-CG1 4.27Å; V710-I811 CarbonylContact O-C 3.36Å; V710-I811 WeakPolarHBondContact O-CA 3.34Å; L712-I811 HydrophobicContact CD1-CG2 4.39Å; L720-I811 HydrophobicContact CD1-CG2 4.34Å; F787-I811 HydrophobicContact CZ-CD1 4.22Å; F802-I811 PolarHBondContact N-O 2.74Å; F802-I811 PolarHBondContact O-N 3.49Å; W804-I811 HydrophobicContact CH2-CB 4.35Å; W804-I811 HydrophobicContact CH2-CD1 4.06Å; W804-I811 HydrophobicContact CH2-CG1 4.43Å; W804-I811 HydrophobicContact CZ3-CB 3.98Å; W804-I811 HydrophobicContact CZ3-CD1 3.78Å; W804-I811 HydrophobicContact CZ3-CG1 3.84Å; L809-I811 HydrophobicContact CD2-CD1 4.33Å; L809-I811 HydrophobicContact CG-CG1 4.47Å; I811-L813 HydrophobicContact CG2-CD2 4.45Å
812	C	93.2	Very high	75.1	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.007	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127.7	179.7	-176.5	0	0	0	0	109.7	L406 V710 H711 L712 V801 V814	L406-C812 HydrophobicContact CD1-CB 4.06Å; L406-C812 VanDerWaalsContact CD1-SG 3.56Å; V710-C812 PolarHBondContact O-N 2.61Å; H711-C812 CarbonylContact C-O 3.35Å; H711-C812 WeakPolarHBondContact CA-O 3.21Å; L712-C812 PolarHBondContact N-O 3.37Å; V801-C812 HydrophobicContact CG1-CB 4.44Å; C812-V814 VanDerWaalsContact SG-CG1 3.51Å
813	L	93.6	Very high	72	Confident	1 Å²	1	55 Å²	55	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	123.4	168.3	-53.3	-171.1	0	0	0	108.8	L712 G717 L720 L790 L798 P799 L800 I811	L712-L813 HydrophobicContact CB-CD2 3.85Å; L712-L813 HydrophobicContact CD1-CD2 4.2Å; L712-L813 HydrophobicContact CG-CD2 4.48Å; L712-L813 WeakPolarHBondContact O-CA 3.29Å; G717-L813 VanDerWaalsContact CA-CD2 3.48Å; L720-L813 HydrophobicContact CD1-CD2 4.18Å; L790-L813 HydrophobicContact CD1-CD1 4.27Å; L790-L813 HydrophobicContact CD2-CD1 3.56Å; L798-L813 HydrophobicContact CD2-CB 3.81Å; P799-L813 VanDerWaalsContact CA-O 3.24Å; P799-L813 WeakPolarHBondContact CA-O 3.38Å; L800-L813 HydrophobicContact CB-CB 4.32Å; L800-L813 HydrophobicContact CD2-CD1 4.37Å; L800-L813 PolarHBondContact N-O 3.42Å; L800-L813 VanDerWaalsContact N-O 3.11Å; L800-L813 PolarHBondContact O-N 3.43Å; I811-L813 HydrophobicContact CG2-CD2 4.45Å
814	V	89.5	Confident	69.1	Low	32 Å²	32	58.3 Å²	58.3	19%	0.194	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	148.7	-176.6	-62.7	0	0	0	0	112	Y391 L712 R714 C812 V816	Y391-V814 HydrophobicContact CD1-CG2 4.32Å; Y391-V814 HydrophobicContact CE1-CG2 3.86Å; L712-V814 WeakPolarHBondContact O-CG2 3.39Å; L712-V814 PolarHBondContact O-N 2.78Å; R714-V814 PolarHBondContact N-O 3.05Å; C812-V814 VanDerWaalsContact SG-CG1 3.51Å; V814-V816 HydrophobicContact CG2-CG2 4.26Å
815	D	82.2	Confident	66.1	Low	67 Å²	67	61.1 Å²	61.1	36%	0.358	38%	0.376	S	S	.	.			trans	-86.5	112.8	169.3	-166.5	-24.4	0	0	0	109.6	L798 S817 S818	L798-D815 HydrophobicContact CD1-CB 4.03Å; D815-S817 VanDerWaalsContact C-N 3.29Å; D815-S817 WeakPolarHBondContact OD1-CA 3.21Å; D815-S817 VanDerWaalsContact OD1-CB 3.29Å; D815-S817 WeakPolarHBondContact OD1-CB 3.48Å; D815-S817 PolarHBondContact OD1-N 2.86Å; D815-S817 PolarHBondContact OD1-OG 3.03Å; D815-S817 PolarHBondContact OD2-OG 3.5Å; D815-S818 PolarHBondContact O-OG 2.9Å
816	V	71.2	Confident	63.2	Low	60 Å²	60	65.9 Å²	65.9	36%	0.364	40%	0.399	S	S	.	.	S	Bend	trans	-81.3	-14.6	-178.6	-174.9	0	0	0	0	111.1	Y391 C713 V814	Y391-V816 HydrophobicContact CD1-CG2 3.62Å; Y391-V816 HydrophobicContact CE1-CG2 4.37Å; Y391-V816 HydrophobicContact CG-CG1 4.39Å; Y391-V816 HydrophobicContact CG-CG2 3.85Å; C713-V816 HydrophobicContact CB-CG2 3.63Å; V814-V816 HydrophobicContact CG2-CG2 4.26Å
817	S	54.8	Low	60.3	Low	104 Å²	104	62.9 Å²	62.9	73%	0.727	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-20	174	77.6	0	0	0	0	113.2	D815	D815-S817 VanDerWaalsContact C-N 3.29Å; D815-S817 WeakPolarHBondContact OD1-CA 3.21Å; D815-S817 VanDerWaalsContact OD1-CB 3.29Å; D815-S817 WeakPolarHBondContact OD1-CB 3.48Å; D815-S817 PolarHBondContact OD1-N 2.86Å; D815-S817 PolarHBondContact OD1-OG 3.03Å; D815-S817 PolarHBondContact OD2-OG 3.5Å
818	S	37.6	Very low	57.2	Low	81 Å²	81	62.4 Å²	62.4	57%	0.566	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-2.1	-175.8	67	0	0	0	0	115.3	D815 S820	D815-S818 PolarHBondContact O-OG 2.9Å; S818-S820 PolarHBondContact O-N 2.82Å
819	S	32	Very low	54.1	Low	98 Å²	98	66.8 Å²	66.8	69%	0.685	44%	0.441	S	S	*	.			trans	-80.5	64	178.7	72.5	0	0	0	0	112.8
820	S	26.8	Very low	50.9	Low	96 Å²	96	72.3 Å²	72.3	67%	0.671	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-57.7	145.3	153.1	57.7	0	0	0	0	109.1	S818	S818-S820 PolarHBondContact O-N 2.82Å
821	P	29.1	Very low	47.6	Very low	78 Å²	78	77.3 Å²	77.3	51%	0.506	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-53.5	143.5	173.6	-24.3	33.7	0	0	0	111.2
822	P	30.1	Very low	44.7	Very low	82 Å²	82	84.5 Å²	84.5	53%	0.532	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-56.5	142.4	175.5	25.2	-34.3	0	0	0	109.7	S824 T890	P822-S824 PolarHBondContact O-N 2.95Å; P822-S824 VanDerWaalsContact O-N 3.16Å; P822-T890 HydrophobicContact CB-CG2 3.95Å; P822-T890 HydrophobicContact CG-CG2 4.03Å
823	P	28	Very low	41.6	Very low	104 Å²	104	89.2 Å²	89.2	68%	0.675	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-58.9	122.8	-169.1	23.1	-33.9	0	0	0	110.8	S825	P823-S825 PolarHBondContact O-N 2.98Å
824	S	32.8	Very low	38.5	Very low	102 Å²	102	96.9 Å²	96.9	71%	0.713	62%	0.621	S	S	*	*			trans	-65	101.5	179.2	56.4	0	0	0	0	109.9	P822 N826	P822-S824 PolarHBondContact O-N 2.95Å; P822-S824 VanDerWaalsContact O-N 3.16Å; S824-N826 PolarHBondContact O-N 3.38Å
825	S	31.2	Very low	35.7	Very low	60 Å²	60	100.7 Å²	100.7	42%	0.42	65%	0.647	S	S	.	*			trans	-58.2	101.4	176.3	50.9	0	0	0	0	110.7	P823 G827	P823-S825 PolarHBondContact O-N 2.98Å; S825-G827 PolarHBondContact O-N 3Å
826	N	29.7	Very low	33.1	Very low	135 Å²	135	106.3 Å²	106.3	72%	0.722	67%	0.671	S	S	*	*			trans	-73.5	57	175.1	-84.1	-27.4	0	0	0	111.5	S824 G828 N895	S824-N826 PolarHBondContact O-N 3.38Å; N826-G828 PolarHBondContact O-N 3.23Å; N826-N895 PolarHBondContact O-ND2 3.26Å
827	G	29.4	Very low	31.2	Very low	40 Å²	40	108.1 Å²	108.1	41%	0.412	69%	0.686	S	S	.	*			trans	-82.6	86.6	174.8	0	0	0	0	0	111.2	S825 L829	S825-G827 PolarHBondContact O-N 3Å; G827-L829 PolarHBondContact O-N 3.21Å
828	G	28.1	Very low	30.2	Very low	70 Å²	70	111.8 Å²	111.8	72%	0.722	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-65.6	121.7	-180	0	0	0	0	0	112.9	N826	N826-G828 PolarHBondContact O-N 3.23Å
829	L	30.2	Very low	29.7	Very low	166 Å²	166	114.6 Å²	114.6	87%	0.869	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-82.6	142.2	164.7	-89.6	117.8	0	0	0	110.7	G827	G827-L829 PolarHBondContact O-N 3.21Å
830	P	28.7	Very low	29.6	Very low	117 Å²	117	114.6 Å²	114.6	76%	0.76	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-73.1	145.2	-174.2	29.6	-35.4	0	0	0	112.8
831	S	26.9	Very low	29.8	Very low	115 Å²	115	114.9 Å²	114.9	80%	0.804	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-69.7	129.2	179.9	54.5	0	0	0	0	113.3
832	I	33.3	Very low	29.9	Very low	165 Å²	165	117.8 Å²	117.8	85%	0.846	73%	0.73	S	S	*	*			trans	-116.1	125.2	161.1	-59.4	-179.6	0	0	0	107.7
833	P	29.2	Very low	30.1	Very low	101 Å²	101	119.3 Å²	119.3	66%	0.656	74%	0.739	S	S	*	*			trans	-96.9	176.7	-166.4	33	-31.7	0	0	0	116.6
834	L	27.9	Very low	30.2	Very low	161 Å²	161	121.5 Å²	121.5	84%	0.843	75%	0.745	S	S	*	*			trans	79.6	149.7	171.8	-65.1	107.5	0	0	0	118.1
835	P	29.7	Very low	30.3	Very low	113 Å²	113	121.9 Å²	121.9	73%	0.734	75%	0.746	S	S	*	*			cis	-134.7	171.9	-28.2	35	-17.1	0	0	0	115.2
836	H	29	Very low	30.1	Very low	185 Å²	185	125.2 Å²	125.2	86%	0.856	76%	0.763	S	S	*	*			trans	-60	155.4	169.2	-44.7	-78.6	0	0	0	111.5
837	S	31.6	Very low	30.1	Very low	97 Å²	97	123.7 Å²	123.7	68%	0.678	76%	0.763	S	S	*	*			cis	-174.2	-175.5	47.2	58.4	0	0	0	0	108.8
838	Q	32.5	Very low	30.2	Very low	181 Å²	181	130 Å²	130	85%	0.846	79%	0.786	S	S	*	*			cis	-158.4	167.5	14.4	-145.2	160.9	114.1	0	0	110.1
839	T	26.8	Very low	30.2	Very low	140 Å²	140	134.3 Å²	134.3	86%	0.859	79%	0.789	S	S	*	*			trans	-113.6	132.3	-168	50.6	0	0	0	0	115.8
840	A	31.7	Very low	30.2	Very low	98 Å²	98	132.9 Å²	132.9	81%	0.81	78%	0.783	S	S	*	*			trans	-175.4	159.9	156.9	0	0	0	0	0	110.2
841	S	29.6	Very low	30.3	Very low	103 Å²	103	133.1 Å²	133.1	72%	0.72	78%	0.778	S	S	*	*				-178.7	122.8	-50.2	48.9	0	0	0	0	109.3
842	V	30.7	Very low	30.6	Very low	139 Å²	139	131.6 Å²	131.6	84%	0.842	77%	0.767	S	S	*	*			trans	40.9	141.5	133.7	-179	0	0	0	0	119.9
843	P	34.5	Very low	30.4	Very low	114 Å²	114	130.2 Å²	130.2	74%	0.74	76%	0.761	S	S	*	*			cis	-136.3	-176.2	7.5	33.8	-10.6	0	0	0	117.6
844	N	30.9	Very low	30.6	Very low	149 Å²	149	132.2 Å²	132.2	80%	0.797	77%	0.767	S	S	*	*			trans	-51.7	165.1	151.9	-90.7	-14.9	0	0	0	113.6
845	P	34.9	Very low	30.7	Very low	111 Å²	111	131.8 Å²	131.8	72%	0.721	77%	0.765	S	S	*	*				-160.4	162.3	53.5	44.6	-22.1	0	0	0	122.5
846	V	27.7	Very low	30.7	Very low	129 Å²	129	134.4 Å²	134.4	78%	0.782	77%	0.771	S	S	*	*			trans	58.1	124.7	132.8	177.6	0	0	0	0	123.2
847	S	29.1	Very low	30.9	Very low	103 Å²	103	128.6 Å²	128.6	72%	0.72	76%	0.761	S	S	*	*			trans	64.1	131.7	150.9	74.5	0	0	0	0	122.1
848	L	32	Very low	30.9	Very low	173 Å²	173	131.1 Å²	131.1	91%	0.906	77%	0.767	S	S	*	*				-158.9	174.3	105.6	-108.8	164.5	0	0	0	112
849	M	26.9	Very low	30.8	Very low	160 Å²	160	129.7 Å²	129.7	79%	0.788	77%	0.765	S	S	*	*			trans	-102.8	177.1	-162.8	-140.4	84	163.8	0	0	112.8
850	N	31.5	Very low	31	Very low	136 Å²	136	128.1 Å²	128.1	73%	0.727	76%	0.76	S	S	*	*			trans	71.8	148.5	156.5	-76.7	48	0	0	0	118.3
851	D	31	Very low	31.1	Very low	123 Å²	123	129.1 Å²	129.1	66%	0.658	76%	0.756	S	S	*	*			cis	-164.1	164.6	-23.6	-141.3	-49.9	0	0	0	111.2
852	S	31.5	Very low	31.2	Very low	82 Å²	82	130 Å²	130	57%	0.573	75%	0.753	S	S	*	*			trans	57.5	113.5	143.5	-72.9	0	0	0	0	123.4
853	N	29.4	Very low	31.2	Very low	136 Å²	136	130.3 Å²	130.3	73%	0.727	75%	0.749	S	S	*	*				90	140.9	123.2	-65.4	-27	0	0	0	124.5
854	N	32.9	Very low	31.1	Very low	144 Å²	144	129.6 Å²	129.6	77%	0.77	75%	0.747	S	S	*	*			trans	72.2	89	147.9	-62.5	-15.6	0	0	0	121.7
855	N	30.3	Very low	30.9	Very low	151 Å²	151	129.3 Å²	129.3	81%	0.807	75%	0.745	S	S	*	*				41	155.7	98.7	-154.2	7.5	0	0	0	120.6
856	I	31	Very low	30.7	Very low	169 Å²	169	129.9 Å²	129.9	87%	0.867	75%	0.747	S	S	*	*			trans	88.3	129.5	-171	-53.5	159.9	0	0	0	112.5
857	G	32.6	Very low	30.8	Very low	63 Å²	63	127.9 Å²	127.9	65%	0.649	74%	0.739	S	S	*	*			cis	169.7	163.7	-10.1	0	0	0	0	0	115
858	N	31.8	Very low	30.9	Very low	150 Å²	150	130 Å²	130	80%	0.802	74%	0.742	S	S	*	*			trans	57.2	107.2	156.5	-63.5	-10	0	0	0	123.5
859	N	30.7	Very low	30.8	Very low	151 Å²	151	127.3 Å²	127.3	81%	0.807	73%	0.733	S	S	*	*				53.2	144.6	116	-61.9	-9.9	0	0	0	125
860	S	30.4	Very low	31.1	Very low	106 Å²	106	124 Å²	124	74%	0.741	73%	0.726	S	S	*	*			trans	77.9	149.6	160.7	-125.3	0	0	0	0	115.6
861	V	33.7	Very low	30.9	Very low	120 Å²	120	124.7 Å²	124.7	73%	0.727	73%	0.729	S	S	*	*			cis	-146.4	138.9	36.2	165.3	0	0	0	0	113.7
862	D	32.8	Very low	30.9	Very low	122 Å²	122	126 Å²	126	65%	0.652	74%	0.735	S	S	*	*			trans	29.6	140.1	146.2	-56.4	-25.8	0	0	0	126.1
863	N	29.2	Very low	30.9	Very low	145 Å²	145	126.6 Å²	126.6	78%	0.775	74%	0.739	S	S	*	*				39.9	146.7	128	-49.9	-47.1	0	0	0	120.9
864	S	32.8	Very low	30.9	Very low	98 Å²	98	129.6 Å²	129.6	69%	0.685	75%	0.746	S	S	*	*			cis	-167.5	171	33.9	60.2	0	0	0	0	113.4
865	N	27.7	Very low	30.7	Very low	143 Å²	143	130.9 Å²	130.9	77%	0.765	75%	0.751	S	S	*	*			trans	12.1	148.5	142.1	-49.9	-14.2	0	0	0	119.6
866	T	29.7	Very low	30.5	Very low	123 Å²	123	130.1 Å²	130.1	76%	0.755	75%	0.752	S	S	*	*			cis	-167.2	170.8	30.5	-22.2	0	0	0	0	112.3
867	S	30.7	Very low	30.4	Very low	87 Å²	87	125.8 Å²	125.8	61%	0.608	75%	0.749	S	S	*	*			trans	61.9	123	144.6	61.6	0	0	0	0	122.5
868	D	30.3	Very low	30.2	Very low	147 Å²	147	128.1 Å²	128.1	79%	0.786	75%	0.752	S	S	*	*				67.6	145.6	128.2	-56.3	-19.4	0	0	0	120.9
869	T	30.9	Very low	30.1	Very low	118 Å²	118	127.3 Å²	127.3	72%	0.724	75%	0.754	S	S	*	*			cis	-156	160.6	-6.1	9.6	0	0	0	0	112.1
870	S	32.1	Very low	30	Very low	91 Å²	91	125.6 Å²	125.6	64%	0.636	75%	0.749	S	S	*	*			trans	63	123.1	148.9	67.6	0	0	0	0	122.3
871	N	28.2	Very low	29.8	Very low	149 Å²	149	127.4 Å²	127.4	80%	0.797	76%	0.756	S	S	*	*				65	142.2	129.5	-58.3	-22.9	0	0	0	119.6
872	I	30.8	Very low	29.5	Very low	151 Å²	151	126.9 Å²	126.9	77%	0.774	76%	0.758	S	S	*	*			cis	-159.7	159.9	33.3	-138.6	152.9	0	0	0	112.9
873	S	31.5	Very low	29.2	Very low	95 Å²	95	124.1 Å²	124.1	66%	0.664	76%	0.758	S	S	*	*			trans	46.3	108.1	164.8	64.7	0	0	0	0	120.3
874	K	28.3	Very low	29.1	Very low	199 Å²	199	124.8 Å²	124.8	87%	0.865	76%	0.76	S	S	*	*				67.7	115.4	90	-75.2	-175.9	174.2	-177.7	0	116.8
875	L	28.4	Very low	28.7	Very low	170 Å²	170	127.1 Å²	127.1	89%	0.89	76%	0.76	S	S	*	*				-157.6	156.3	100.5	-109.6	165.4	0	0	0	111.2
876	T	27.6	Very low	28.6	Very low	135 Å²	135	125.2 Å²	125.2	83%	0.828	76%	0.757	S	S	*	*			trans	-111.7	132.2	-168	47.3	0	0	0	0	111.9
877	G	29	Very low	28.4	Very low	78 Å²	78	124.8 Å²	124.8	80%	0.804	75%	0.75	S	S	*	*			trans	-115	140.1	170.2	0	0	0	0	0	111.5
878	T	28.5	Very low	28.2	Very low	113 Å²	113	131.7 Å²	131.7	69%	0.693	76%	0.763	S	S	*	*			trans	-80.7	156	177.6	43.6	0	0	0	0	112.1	T880	T878-T880 PolarHBondContact O-N 3.11Å
879	P	29.9	Very low	27.9	Very low	133 Å²	133	131 Å²	131	86%	0.864	76%	0.759	S	S	*	*			trans	-71.3	97.8	166.4	30.1	-32.5	0	0	0	109.1
880	T	27.8	Very low	27.8	Very low	114 Å²	114	129.7 Å²	129.7	70%	0.699	75%	0.751	S	S	*	*			trans	-82.6	134	177.1	43.4	0	0	0	0	111.4	T878 S882	T878-T880 PolarHBondContact O-N 3.11Å; T880-S882 PolarHBondContact O-N 2.98Å
881	T	25.6	Very low	27.6	Very low	145 Å²	145	129.2 Å²	129.2	89%	0.89	75%	0.747	S	S	*	*			trans	-65.3	101.7	178.8	-49	0	0	0	0	111.1	G883	T881-G883 VanDerWaalsContact C-N 3.35Å; T881-G883 PolarHBondContact O-N 3.2Å
882	S	28.6	Very low	27.5	Very low	109 Å²	109	127.8 Å²	127.8	76%	0.762	74%	0.744	S	S	*	*			trans	-82.5	74.9	179.4	62.2	0	0	0	0	111.9	T880 I884	T880-S882 PolarHBondContact O-N 2.98Å; S882-I884 PolarHBondContact O-N 2.87Å
883	G	25.7	Very low	27.4	Very low	64 Å²	64	123.7 Å²	123.7	66%	0.66	73%	0.726	S	S	*	*			trans	-63.8	120.6	167.3	0	0	0	0	0	110.4	T881 H885	T881-G883 VanDerWaalsContact C-N 3.35Å; T881-G883 PolarHBondContact O-N 3.2Å; G883-H885 PolarHBondContact O-N 3.18Å
884	I	26.2	Very low	27.2	Very low	158 Å²	158	126.2 Å²	126.2	81%	0.81	73%	0.732	S	S	*	*			trans	-78.5	92.3	179.3	-60.5	178.4	0	0	0	108.6	S882 C886	S882-I884 PolarHBondContact O-N 2.87Å; I884-C886 PolarHBondContact O-N 3.47Å
885	H	25.7	Very low	27.3	Very low	147 Å²	147	120.9 Å²	120.9	68%	0.681	71%	0.713	S	S	*	*			trans	-73.2	111.8	176.2	-132.8	-63.4	0	0	0	109.9	G883 N887	G883-H885 PolarHBondContact O-N 3.18Å; H885-N887 PolarHBondContact O-N 3.46Å
886	C	25.6	Very low	27.2	Very low	104 Å²	104	123.8 Å²	123.8	70%	0.703	71%	0.712	S	S	*	*			trans	-74.2	71.4	173.1	-65.1	0	0	0	0	110.7	I884 W888	I884-C886 PolarHBondContact O-N 3.47Å; C886-W888 PolarHBondContact O-N 3.24Å
887	N	25.7	Very low	27.2	Very low	113 Å²	113	125 Å²	125	60%	0.604	71%	0.713	S	S	*	*			trans	-77	86.7	-168.7	-168.2	3.9	0	0	0	112.7	H885 N889	H885-N887 PolarHBondContact O-N 3.46Å; N887-N889 PolarHBondContact O-N 3.07Å; N887-N889 PolarHBondContact OD1-ND2 3.08Å
888	W	26.7	Very low	27.1	Very low	233 Å²	233	128.8 Å²	128.8	88%	0.883	71%	0.713	S	S	*	*			trans	-75.1	70.5	172.1	-80.9	77.6	0	0	0	111.8	C886	C886-W888 PolarHBondContact O-N 3.24Å
889	N	23.1	Very low	27	Very low	131 Å²	131	129 Å²	129	70%	0.701	72%	0.719	S	S	*	*			trans	-103.5	98.3	173.9	-110.3	-54.1	0	0	0	110.7	N887	N887-N889 PolarHBondContact O-N 3.07Å; N887-N889 PolarHBondContact OD1-ND2 3.08Å
890	T	28.6	Very low	26.9	Very low	92 Å²	92	127 Å²	127	56%	0.564	71%	0.708	S	S	*	*			trans	-110.6	105.6	166.6	49.5	0	0	0	0	109.5	P822 V892	P822-T890 HydrophobicContact CB-CG2 3.95Å; P822-T890 HydrophobicContact CG-CG2 4.03Å; T890-V892 PolarHBondContact O-N 3.44Å
891	S	27.7	Very low	27	Very low	80 Å²	80	127.8 Å²	127.8	56%	0.559	71%	0.708	S	S	*	*			trans	-69.7	121.2	-175.5	51.9	0	0	0	0	112.6	V893	S891-V893 PolarHBondContact O-N 3.07Å
892	V	27.3	Very low	27.2	Very low	119 Å²	119	128.1 Å²	128.1	72%	0.721	70%	0.704	S	S	*	*			trans	-69.7	117.5	160.2	178.8	0	0	0	0	108.1	T890	T890-V892 PolarHBondContact O-N 3.44Å
893	V	28.5	Very low	27.3	Very low	66 Å²	66	128.3 Å²	128.3	40%	0.4	71%	0.706	S	S	.	*			trans	-113.4	97.4	172.3	-175.7	0	0	0	0	108.3	S891 N895	S891-V893 PolarHBondContact O-N 3.07Å; V893-N895 PolarHBondContact O-N 3.11Å
894	D	27	Very low	27.5	Very low	147 Å²	147	128.5 Å²	128.5	79%	0.786	71%	0.707	S	S	*	*			trans	-62.7	117.2	165.6	-92.6	-49	0	0	0	109.4
895	N	29.2	Very low	27.5	Very low	88 Å²	88	126.5 Å²	126.5	47%	0.471	71%	0.707	S	S	.	*			trans	-120.3	76.1	175.1	-143.1	7.6	0	0	0	110.5	N826 V893 L897	N826-N895 PolarHBondContact O-ND2 3.26Å; V893-N895 PolarHBondContact O-N 3.11Å; N895-L897 PolarHBondContact O-N 2.99Å
896	R	27	Very low	27.7	Very low	231 Å²	231	125 Å²	125	87%	0.872	71%	0.708	S	S	*	*			trans	-66.6	99.5	169.5	-78.6	-175	173.9	-172	-1.7	109.7
897	L	28.1	Very low	27.8	Very low	161 Å²	161	128.5 Å²	128.5	84%	0.843	71%	0.714	S	S	*	*			trans	-88.8	125.2	160.2	-95.2	168.7	0	0	0	110.3	N895	N895-L897 PolarHBondContact O-N 2.99Å
898	I	25.7	Very low	27.9	Very low	156 Å²	156	128.5 Å²	128.5	80%	0.8	72%	0.724	S	S	*	*			trans	-85	122.9	179	-61.5	165.9	0	0	0	108.4
899	S	28.3	Very low	28	Very low	119 Å²	119	123.7 Å²	123.7	83%	0.832	72%	0.72	S	S	*	*			trans	-127.4	128.3	150	61.1	0	0	0	0	108.8
900	S	27.2	Very low	28.4	Very low	89 Å²	89	123.3 Å²	123.3	62%	0.622	73%	0.725	S	S	*	*			trans	-99.2	146.5	179.9	58.8	0	0	0	0	110.4
901	N	30.2	Very low	28.4	Very low	132 Å²	132	127.6 Å²	127.6	71%	0.706	74%	0.738	S	S	*	*				168.8	125.5	116.2	-79.8	-14.3	0	0	0	111.3
902	N	29.6	Very low	28.4	Very low	151 Å²	151	129.4 Å²	129.4	81%	0.807	75%	0.751	S	S	*	*			trans	58.8	144.6	144.3	-61.3	-7.9	0	0	0	120.5
903	S	29.8	Very low	28.4	Very low	114 Å²	114	128.4 Å²	128.4	80%	0.797	75%	0.749	S	S	*	*			cis	-172.6	146.7	-10.6	46	0	0	0	0	111.1
904	G	29.9	Very low	28.5	Very low	67 Å²	67	133.3 Å²	133.3	69%	0.691	77%	0.771	S	S	*	*			trans	112	115	171.2	0	0	0	0	0	112.3
905	S	26.7	Very low	28.5	Very low	116 Å²	116	133.2 Å²	133.2	81%	0.811	77%	0.769	S	S	*	*				74.9	126.3	54.8	80.7	0	0	0	0	111.7
906	V	29.9	Very low	28.6	Very low	116 Å²	116	134.1 Å²	134.1	70%	0.703	78%	0.78	S	S	*	*			cis	-149.1	156.9	32.3	165.5	0	0	0	0	111.9
907	E	26.7	Very low	28.6	Very low	177 Å²	177	128.3 Å²	128.3	83%	0.827	78%	0.775	S	S	*	*			trans	-2.5	158.3	155.3	-61.5	164.2	147.5	0	0	121.5
908	S	29.3	Very low	28.7	Very low	114 Å²	114	124.6 Å²	124.6	80%	0.797	77%	0.767	S	S	*	*			cis	-167.8	164.4	-9.8	48.5	0	0	0	0	112.8
909	T	28.4	Very low	28.9	Very low	131 Å²	131	127.7 Å²	127.7	80%	0.804	78%	0.775	S	S	*	*			trans	-88.4	165.5	169.7	8.9	0	0	0	0	111.6
910	P	32	Very low	29	Very low	124 Å²	124	126.4 Å²	126.4	81%	0.805	77%	0.772	S	S	*	*				-155.4	-175.6	62.6	42.4	-19.7	0	0	0	119
911	Q	28.3	Very low	29.3	Very low	181 Å²	181	132.3 Å²	132.3	85%	0.846	79%	0.787	S	S	*	*			trans	-97.3	166.7	171.8	-53.4	167.5	-53.2	0	0	112
912	S	27.2	Very low	29.2	Very low	118 Å²	118	131 Å²	131	83%	0.825	79%	0.788	S	S	*	*			trans	163.1	176.2	139.7	44.8	0	0	0	0	111.7
913	S	28	Very low	29.5	Very low	99 Å²	99	131.1 Å²	131.1	69%	0.692	79%	0.788	S	S	*	*				-171.8	155.7	-63.9	60.1	0	0	0	0	108.7
914	I	29	Very low	29.6	Very low	168 Å²	168	132.1 Å²	132.1	86%	0.862	78%	0.784	S	S	*	*			trans	-140.2	138	167.3	-63.5	-174.2	0	0	0	110.6
915	I	27.1	Very low	29.6	Very low	145 Å²	145	136.6 Å²	136.6	74%	0.744	79%	0.792	S	S	*	*			trans	-141.1	148.9	173.6	-40.2	166.5	0	0	0	107.4
916	P	31.6	Very low	29.8	Very low	107 Å²	107	136.4 Å²	136.4	70%	0.695	79%	0.788	S	S	*	*				-135.3	152.2	113.7	15.1	6.9	0	0	0	111.5
917	S	27.6	Very low	30.3	Very low	110 Å²	110	135.2 Å²	135.2	77%	0.769	78%	0.784	S	S	*	*			cis	72.5	141.6	44.3	107.1	0	0	0	0	113.1
918	A	30.1	Very low	30.8	Very low	82 Å²	82	133 Å²	133	68%	0.678	77%	0.772	S	S	*	*			cis	-159.8	166.1	-6.8	0	0	0	0	0	110.2
919	F	31	Very low	31.3	Very low	221 Å²	221	134.9 Å²	134.9	97%	0.969	77%	0.773	S	S	*	*			trans	-166.2	152.1	133.8	-110.3	-70.4	0	0	0	110
920	A	29.6	Very low	32.2	Very low	93 Å²	93	133.4 Å²	133.4	77%	0.769	77%	0.767	S	S	*	*			trans	-145	155.1	-170.7	0	0	0	0	0	113.1
921	K	33	Very low	32.6	Very low	213 Å²	213	133.6 Å²	133.6	93%	0.926	76%	0.761	S	S	*	*			trans	-152.5	160	150.5	-113.2	175.8	-177.7	-177.4	0	109.5
922	S	29.3	Very low	33.3	Very low	105 Å²	105	129 Å²	129	73%	0.734	74%	0.739	S	S	*	*			trans	-150.8	125	-158.8	54.7	0	0	0	0	111.8
923	D	34.4	Very low	33.9	Very low	152 Å²	152	127.4 Å²	127.4	81%	0.813	73%	0.725	S	S	*	*			trans	-130.8	105.9	165.9	-81.3	-64.3	0	0	0	110.4
924	L	33	Very low	34.4	Very low	135 Å²	135	129.5 Å²	129.5	71%	0.707	74%	0.736	S	S	*	*			trans	41.7	113.6	137.6	-55.8	166.5	0	0	0	117.6	P926	L924-P926 WeakPolarHBondContact O-CD 3.16Å
925	L	29.9	Very low	34.7	Very low	162 Å²	162	125.3 Å²	125.3	85%	0.848	74%	0.735	S	S	*	*				46.6	60.3	66.6	-68.4	167.4	0	0	0	114
926	P	30.1	Very low	35.2	Very low	112 Å²	112	121.8 Å²	121.8	73%	0.727	72%	0.722	S	S	*	*				-146.4	72.3	122.2	38.5	-23	0	0	0	114.6	L924	L924-P926 WeakPolarHBondContact O-CD 3.16Å
927	S	39.8	Very low	35.7	Very low	90 Å²	90	124.1 Å²	124.1	63%	0.629	73%	0.727	S	S	*	*	S	Bend	trans	-134.7	-7	174.6	-48.4	0	0	0	0	115.6	S930	S927-S930 PolarHBondContact O-OG 3.13Å; S927-S930 VanDerWaalsContact O-OG 3.06Å
928	F	38.9	Very low	36.2	Very low	130 Å²	130	120.4 Å²	120.4	57%	0.57	70%	0.7	S	S	*	*	S	Bend	trans	-91.3	-16.1	-174.5	-139.3	-97.8	0	0	0	113.9	L946	F928-L946 HydrophobicContact CE1-CD1 4.46Å
929	L	39.4	Very low	36.5	Very low	155 Å²	155	120.3 Å²	120.3	81%	0.812	69%	0.693	S	S	*	*	S	Bend	trans	-95.5	-13.9	179.2	-66.8	174.8	0	0	0	113.4	L931	L929-L931 PolarHBondContact O-N 3.18Å
930	S	45.9	Very low	36.8	Very low	99 Å²	99	114.6 Å²	114.6	69%	0.692	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-1.4	173.9	45	0	0	0	0	114	S927	S927-S930 PolarHBondContact O-OG 3.13Å; S927-S930 VanDerWaalsContact O-OG 3.06Å
931	L	42	Very low	37.2	Very low	129 Å²	129	116.7 Å²	116.7	68%	0.675	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-1.6	177.8	-83.5	159.5	0	0	0	113.9	L929	L929-L931 PolarHBondContact O-N 3.18Å
932	F	43.1	Very low	37.7	Very low	85 Å²	85	109.9 Å²	109.9	37%	0.373	65%	0.652	S	S	.	*	S	Bend	trans	-116.8	133.1	177.3	-65.8	-81.3	0	0	0	110.9	C936 P938	F932-C936 HydrophobicContact CB-CB 4.47Å; F932-P938 HydrophobicContact CE1-CB 4.03Å; F932-P938 HydrophobicContact CE2-CB 4.39Å; F932-P938 HydrophobicContact CZ-CB 3.84Å
933	P	39	Very low	38.2	Very low	83 Å²	83	108.6 Å²	108.6	54%	0.539	64%	0.637	S	S	.	*			trans	-60.7	152.1	172.6	-23.3	33.7	0	0	0	112.3	G935 C936	P933-G935 PolarHBondContact O-N 3.18Å; P933-C936 PolarHBondContact O-N 3.33Å
934	P	37.9	Very low	38.2	Very low	144 Å²	144	104.5 Å²	104.5	94%	0.935	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.1	113.1	173.3	-24.7	34.5	0	0	0	111.4
935	G	36.8	Very low	38.4	Very low	80 Å²	80	102 Å²	102	83%	0.825	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	108.5	-5.2	-178.3	0	0	0	0	0	116	P933	P933-G935 PolarHBondContact O-N 3.18Å
936	C	36.1	Very low	38.5	Very low	71 Å²	71	98.6 Å²	98.6	48%	0.48	60%	0.596	S	S	.	*	P	Polyproline II helix	trans	-94	119.6	177.2	-66	0	0	0	0	112.3	F932 P933	F932-C936 HydrophobicContact CB-CB 4.47Å; P933-C936 PolarHBondContact O-N 3.33Å
937	I	41.7	Very low	38.8	Very low	155 Å²	155	101 Å²	101	80%	0.795	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-93.5	127.1	175	-58.6	173.9	0	0	0	109.2
938	P	38	Very low	38.6	Very low	32 Å²	32	102 Å²	102	21%	0.208	60%	0.602	C	S	.	*	P	Polyproline II helix	trans	-69.1	143.2	175.6	27.8	-34	0	0	0	111.6	F932	F932-P938 HydrophobicContact CE1-CB 4.03Å; F932-P938 HydrophobicContact CE2-CB 4.39Å; F932-P938 HydrophobicContact CZ-CB 3.84Å
939	P	37.8	Very low	38.3	Very low	81 Å²	81	99.6 Å²	99.6	53%	0.526	61%	0.607	S	S	.	*	P	Polyproline II helix	trans	-66.7	149.6	-177.7	26.2	-33.5	0	0	0	112.3	N941 V942	P939-N941 PolarHBondContact O-N 3.21Å; P939-V942 HydrophobicContact CG-CG2 4.1Å; P939-V942 PolarHBondContact O-N 3.27Å
940	P	37.5	Very low	37.6	Very low	100 Å²	100	100 Å²	100	65%	0.649	61%	0.606	S	S	*	*	H	α-helix	trans	-54	-32.1	-168.6	-29.5	35.8	0	0	0	115.7	V942 L943 S944	P940-V942 PolarHBondContact O-N 3Å; P940-L943 PolarHBondContact O-N 3.33Å; P940-S944 PolarHBondContact O-N 3.45Å
941	N	38.2	Very low	37	Very low	137 Å²	137	99.4 Å²	99.4	73%	0.733	61%	0.607	S	S	*	*	H	α-helix	trans	-70.5	-13.7	-176.7	-56.8	0.6	0	0	0	113.5	P939 S944	P939-N941 PolarHBondContact O-N 3.21Å; N941-S944 PolarHBondContact O-OG 3.5Å
942	V	43.4	Very low	36.5	Very low	71 Å²	71	99.8 Å²	99.8	43%	0.43	62%	0.615	S	S	.	*	H	α-helix	trans	-89.8	-20	173.5	-178.6	0	0	0	0	111.3	P939 P940 S945	P939-V942 HydrophobicContact CG-CG2 4.1Å; P939-V942 PolarHBondContact O-N 3.27Å; P940-V942 PolarHBondContact O-N 3Å; V942-S945 PolarHBondContact O-OG 2.94Å
943	L	39.9	Very low	35.7	Very low	77 Å²	77	102.8 Å²	102.8	40%	0.403	64%	0.635	S	S	.	*	H	α-helix	trans	-85.4	-38.3	176.3	-71.2	164.4	0	0	0	111.8	P940 S945 L946 F947	P940-L943 PolarHBondContact O-N 3.33Å; L943-S945 PolarHBondContact O-N 3.38Å; L943-L946 PolarHBondContact O-N 3.39Å; L943-F947 WeakPolarHBondContact O-CD2 3.38Å; L943-F947 PolarHBondContact O-N 2.85Å
944	S	34.5	Very low	35.3	Very low	67 Å²	67	105.6 Å²	105.6	47%	0.469	65%	0.646	S	S	.	*	H	α-helix	trans	-61.6	-42.8	-178.7	55.1	0	0	0	0	113	P940 N941 L946 F947 S948	P940-S944 PolarHBondContact O-N 3.45Å; N941-S944 PolarHBondContact O-OG 3.5Å; S944-L946 VanDerWaalsContact C-N 3.28Å; S944-L946 PolarHBondContact O-N 3.19Å; S944-F947 PolarHBondContact O-N 2.84Å; S944-S948 PolarHBondContact O-N 3.15Å; S944-S948 PolarHBondContact O-OG 3.07Å
945	S	35.7	Very low	34.9	Very low	82 Å²	82	103.5 Å²	103.5	57%	0.573	63%	0.634	S	S	*	*	H	α-helix	trans	-65.4	-28.6	176.4	53.6	0	0	0	0	113.5	V942 L943	V942-S945 PolarHBondContact O-OG 2.94Å; L943-S945 PolarHBondContact O-N 3.38Å
946	L	33.3	Very low	34.5	Very low	90 Å²	90	104.8 Å²	104.8	47%	0.471	63%	0.631	S	S	.	*	H	α-helix	trans	-77.3	-30.1	178.2	-139.7	76.8	0	0	0	112.7	F928 L943 S944	F928-L946 HydrophobicContact CE1-CD1 4.46Å; L943-L946 PolarHBondContact O-N 3.39Å; S944-L946 VanDerWaalsContact C-N 3.28Å; S944-L946 PolarHBondContact O-N 3.19Å
947	F	35.8	Very low	34	Very low	164 Å²	164	105.7 Å²	105.7	72%	0.719	64%	0.638	S	S	*	*	H	α-helix	trans	-90.4	-20.7	-178.5	-85.3	-76.3	0	0	0	114.7	L943 S944 A949	L943-F947 WeakPolarHBondContact O-CD2 3.38Å; L943-F947 PolarHBondContact O-N 2.85Å; S944-F947 PolarHBondContact O-N 2.84Å; F947-A949 PolarHBondContact O-N 3.32Å
948	S	34.5	Very low	33.2	Very low	109 Å²	109	105.9 Å²	105.9	76%	0.762	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	2.4	-179.2	-65.4	0	0	0	0	115.7	S944	S944-S948 PolarHBondContact O-N 3.15Å; S944-S948 PolarHBondContact O-OG 3.07Å
949	A	32.9	Very low	32.7	Very low	81 Å²	81	108 Å²	108	67%	0.669	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	5.3	-174.2	0	0	0	0	0	115.4	F947	F947-A949 PolarHBondContact O-N 3.32Å
950	M	26	Very low	32.3	Very low	162 Å²	162	110.5 Å²	110.5	80%	0.798	66%	0.663	S	S	*	*	S	Bend	trans	-135.8	57.1	-171.8	-73.9	-172.2	-90	0	0	114.9
951	A	31.9	Very low	31.9	Very low	87 Å²	87	111.6 Å²	111.6	72%	0.719	66%	0.664	S	S	*	*			trans	-167.1	146.2	163.7	0	0	0	0	0	109.3
952	T	32.3	Very low	31.5	Very low	138 Å²	138	111.1 Å²	111.1	85%	0.847	66%	0.66	S	S	*	*			cis	-158.1	153	-9.4	15.7	0	0	0	0	108.4
953	N	26.7	Very low	30.9	Very low	147 Å²	147	114.2 Å²	114.2	79%	0.786	67%	0.674	S	S	*	*			trans	-83.8	149.2	179.8	-61.6	-34.1	0	0	0	113.6
954	N	29.3	Very low	30.4	Very low	142 Å²	142	115.8 Å²	115.8	76%	0.759	69%	0.687	S	S	*	*				151.8	159.2	118.2	-80.3	-34.3	0	0	0	115.8
955	S	30.1	Very low	30.3	Very low	100 Å²	100	118.4 Å²	118.4	70%	0.699	70%	0.701	S	S	*	*			trans	60.7	108.9	152	42.1	0	0	0	0	118.8
956	S	27.9	Very low	30.2	Very low	108 Å²	108	120.6 Å²	120.6	76%	0.755	71%	0.706	S	S	*	*				72.8	142.1	81	74.9	0	0	0	0	114.4
957	S	25.6	Very low	30.2	Very low	90 Å²	90	122.4 Å²	122.4	63%	0.629	72%	0.716	S	S	*	*			cis	176.2	165	-2.6	46.6	0	0	0	0	109.1
958	I	26.5	Very low	30.1	Very low	159 Å²	159	120 Å²	120	82%	0.815	71%	0.71	S	S	*	*			trans	69.3	146.8	160.1	-68.8	162.1	0	0	0	114.6
959	S	26.9	Very low	30	Very low	76 Å²	76	122.4 Å²	122.4	53%	0.531	71%	0.71	S	S	.	*			cis	-165.1	175.5	-23.6	55.6	0	0	0	0	108.8
960	D	28.8	Very low	29.7	Very low	133 Å²	133	122.9 Å²	122.9	71%	0.711	71%	0.708	S	S	*	*			trans	68.1	158	155	-54.7	-36.1	0	0	0	118.6
961	N	30.2	Very low	29.8	Very low	124 Å²	124	122.9 Å²	122.9	66%	0.663	71%	0.706	S	S	*	*			cis	-153.5	148	-8.7	-124.4	-27.1	0	0	0	114
962	I	28.9	Very low	29.6	Very low	126 Å²	126	124.2 Å²	124.2	65%	0.646	71%	0.706	S	S	*	*			trans	18.7	127.8	144.3	-61.2	163.3	0	0	0	120.8
963	N	30.1	Very low	29.4	Very low	136 Å²	136	125 Å²	125	73%	0.727	70%	0.699	S	S	*	*				-177.5	119	120.3	-95.8	-46.7	0	0	0	111.4
964	T	29.6	Very low	29.4	Very low	110 Å²	110	124.3 Å²	124.3	68%	0.675	70%	0.695	S	S	*	*				52	131	101.2	72	0	0	0	0	114.7
965	T	33.5	Very low	29.1	Very low	123 Å²	123	124.7 Å²	124.7	76%	0.755	70%	0.696	S	S	*	*			cis	-154.4	174.5	36.3	54.6	0	0	0	0	109.5
966	N	32.3	Very low	28.9	Very low	128 Å²	128	130 Å²	130	68%	0.684	70%	0.701	S	S	*	*			cis	-164.6	173.4	-16.3	-117.7	55	0	0	0	110.4
967	N	33.8	Very low	29	Very low	127 Å²	127	133.9 Å²	133.9	68%	0.679	70%	0.704	S	S	*	*			trans	62.8	132.7	157.9	-71.9	41.5	0	0	0	119.2
968	D	33.7	Very low	29.1	Very low	113 Å²	113	133.4 Å²	133.4	60%	0.604	70%	0.701	S	S	*	*			cis	-158.5	156.2	-9.5	-131.7	-36.2	0	0	0	114.8
969	Q	32.9	Very low	29.3	Very low	161 Å²	161	135.3 Å²	135.3	75%	0.752	70%	0.704	S	S	*	*			trans	46.1	82.2	156.5	-79.3	153.3	72.8	0	0	121.2
970	S	26.9	Very low	29.7	Very low	90 Å²	90	135.9 Å²	135.9	63%	0.629	71%	0.706	S	S	*	*			trans	-36.6	168.6	139.3	60.2	0	0	0	0	118.6
971	Q	28.5	Very low	30.1	Very low	162 Å²	162	135.8 Å²	135.8	76%	0.757	71%	0.713	S	S	*	*				119.1	113.7	122.2	-111.2	171.9	103.5	0	0	120.6
972	T	27.3	Very low	30.2	Very low	116 Å²	116	135.5 Å²	135.5	71%	0.712	71%	0.71	S	S	*	*			trans	74.9	154.9	132.6	39.2	0	0	0	0	124.9
973	E	28.4	Very low	30.3	Very low	153 Å²	153	137.8 Å²	137.8	72%	0.715	72%	0.723	S	S	*	*			trans	76.2	106.4	154.9	-72.4	-71.4	90.8	0	0	121.5
974	L	25.2	Very low	30.2	Very low	133 Å²	133	138.2 Å²	138.2	70%	0.696	72%	0.721	S	S	*	*				42.1	137.4	128.6	-75.1	176.6	0	0	0	123.5
975	L	23.8	Very low	30.3	Very low	150 Å²	150	139.9 Å²	139.9	79%	0.785	73%	0.731	S	S	*	*			trans	79.9	133.3	150.2	-69.4	161.3	0	0	0	120.8
976	R	26.4	Very low	30.2	Very low	213 Å²	213	139.2 Å²	139.2	80%	0.804	73%	0.726	S	S	*	*			trans	75	125.2	154.6	-73.5	174.8	173.4	160.4	0.4	120.6
977	K	29.4	Very low	30.1	Very low	188 Å²	188	138.7 Å²	138.7	82%	0.817	73%	0.728	S	S	*	*			trans	72.9	154.5	138.7	-69.5	178	177.6	-172.4	0	118.3
978	S	27.7	Very low	30	Very low	81 Å²	81	137.2 Å²	137.2	57%	0.566	73%	0.728	S	S	*	*			cis	-175.5	151.9	-24.2	55.1	0	0	0	0	113.3
979	F	30.4	Very low	29.7	Very low	199 Å²	199	138.1 Å²	138.1	87%	0.873	74%	0.737	S	S	*	*			trans	77.2	156.3	154.6	-65.7	-57.9	0	0	0	120.9
980	P	36.1	Very low	29.8	Very low	88 Å²	88	136 Å²	136	57%	0.571	74%	0.737	S	S	*	*			trans	-120.6	-175.5	-165.9	45.4	-33.1	0	0	0	113.7
981	P	36.8	Very low	29.7	Very low	131 Å²	131	138.7 Å²	138.7	85%	0.851	74%	0.743	S	S	*	*			trans	-74.9	127.9	157.5	30.9	-33.7	0	0	0	111.6
982	I	32	Very low	29.9	Very low	117 Å²	117	140.3 Å²	140.3	60%	0.6	75%	0.748	S	S	*	*			trans	-99.1	145.7	167.5	-67.7	173.3	0	0	0	108.4	Q984	I982-Q984 HydrophobicContact CG2-CB 4.32Å; I982-Q984 HydrophobicContact CG2-CG 3.69Å
983	N	30.9	Very low	29.8	Very low	175 Å²	175	142.4 Å²	142.4	94%	0.936	75%	0.75	S	S	*	*			trans	-135.5	125.2	149	-113.8	-20	0	0	0	109.1
984	Q	29.4	Very low	29.9	Very low	145 Å²	145	141.1 Å²	141.1	68%	0.678	75%	0.753	S	S	*	*			trans	-122.3	137.9	-174.3	-86.4	176	-5.3	0	0	110.9	I982 V986	I982-Q984 HydrophobicContact CG2-CB 4.32Å; I982-Q984 HydrophobicContact CG2-CG 3.69Å; Q984-V986 HydrophobicContact CB-CG2 4.41Å
985	T	31.1	Very low	30	Very low	145 Å²	145	139.8 Å²	139.8	89%	0.89	75%	0.754	S	S	*	*			trans	-142.1	72.9	156.6	20.7	0	0	0	0	110.3
986	V	30.6	Very low	30.4	Very low	108 Å²	108	138.3 Å²	138.3	66%	0.655	76%	0.756	S	S	*	*				21.4	122.9	120.5	-164.5	0	0	0	0	114.1	Q984	Q984-V986 HydrophobicContact CB-CG2 4.41Å
987	T	30.8	Very low	30.4	Very low	118 Å²	118	133.2 Å²	133.2	72%	0.724	75%	0.754	S	S	*	*				-162.3	149.2	53.6	-27.2	0	0	0	0	114.1
988	S	30.7	Very low	30.7	Very low	96 Å²	96	129.4 Å²	129.4	67%	0.671	75%	0.748	S	S	*	*			trans	39.5	121.8	145.5	61.9	0	0	0	0	122.9
989	V	28.5	Very low	30.7	Very low	131 Å²	131	131.7 Å²	131.7	79%	0.794	76%	0.759	S	S	*	*			trans	-76.8	150.9	143.7	178	0	0	0	0	109.5
990	P	34.2	Very low	30.8	Very low	116 Å²	116	127.4 Å²	127.4	75%	0.753	75%	0.754	S	S	*	*			trans	-130	141.7	134.8	36.3	-28.4	0	0	0	113.4
991	I	26.4	Very low	30.3	Very low	147 Å²	147	130.1 Å²	130.1	75%	0.754	76%	0.762	S	S	*	*			trans	-76.6	135.3	167.3	-64.1	158.9	0	0	0	108.2
992	F	30.8	Very low	30.2	Very low	196 Å²	196	131.9 Å²	131.9	86%	0.86	76%	0.763	S	S	*	*			trans	-153.4	148.1	143.6	-110.9	-72.1	0	0	0	112
993	Q	26.4	Very low	30.1	Very low	160 Å²	160	134 Å²	134	75%	0.748	77%	0.77	S	S	*	*			trans	-82.6	151.9	173.5	-59	152.1	-50.9	0	0	109.7
994	T	29.9	Very low	30.4	Very low	127 Å²	127	130.6 Å²	130.6	78%	0.779	76%	0.758	S	S	*	*				165.1	127.5	111	47.4	0	0	0	0	112.4
995	S	27.5	Very low	30.6	Very low	104 Å²	104	128.8 Å²	128.8	73%	0.727	76%	0.761	S	S	*	*			trans	27.2	146.4	144.1	61.4	0	0	0	0	124
996	S	33.1	Very low	30.9	Very low	119 Å²	119	126.4 Å²	126.4	83%	0.832	76%	0.756	S	S	*	*			trans	96.8	133.2	144.2	75.4	0	0	0	0	120.3
997	S	26.2	Very low	31.1	Very low	107 Å²	107	126.4 Å²	126.4	75%	0.748	76%	0.761	S	S	*	*			trans	-94.9	-178.7	165.3	58.3	0	0	0	0	109.4
998	P	36.1	Very low	31.3	Very low	108 Å²	108	126.3 Å²	126.3	70%	0.701	76%	0.76	S	S	*	*			cis	-139.9	-168.4	5.4	45.4	-26.8	0	0	0	115.5
999	T	27.4	Very low	31.6	Very low	129 Å²	129	129.3 Å²	129.3	79%	0.791	77%	0.768	S	S	*	*			trans	37.7	110.6	146.9	-49.8	0	0	0	0	122.6
1000	S	31	Very low	32.1	Very low	109 Å²	109	127.8 Å²	127.8	76%	0.762	76%	0.761	S	S	*	*				177.5	124.8	125.2	57.8	0	0	0	0	110
1001	L	26.6	Very low	31.9	Very low	144 Å²	144	129 Å²	129	75%	0.754	76%	0.761	S	S	*	*				76.6	95.6	60.6	-146.6	-175.1	0	0	0	114.1
1002	I	34.2	Very low	32.1	Very low	168 Å²	168	129 Å²	129	86%	0.862	76%	0.762	S	S	*	*			trans	-133.3	136.9	158.9	-67.5	-174.8	0	0	0	108.9
1003	Q	30.7	Very low	32.3	Very low	161 Å²	161	124.1 Å²	124.1	75%	0.752	75%	0.752	S	S	*	*			trans	-115.3	-156.2	-175.7	-130.8	-168.9	-35.5	0	0	108.7
1004	P	36.9	Very low	32.7	Very low	104 Å²	104	123.9 Å²	123.9	68%	0.675	75%	0.75	S	S	*	*			cis	-141.9	-177.4	14	44.5	-24.6	0	0	0	118.1
1005	S	34.5	Very low	32.9	Very low	108 Å²	108	124.4 Å²	124.4	76%	0.755	75%	0.747	S	S	*	*			trans	70.5	133.7	154.9	-55.9	0	0	0	0	119.4
1006	A	36	Very low	33.3	Very low	94 Å²	94	127.8 Å²	127.8	78%	0.777	75%	0.751	S	S	*	*			cis	-155.9	-150.8	-8.8	0	0	0	0	0	107.8
1007	S	35.9	Very low	33.2	Very low	108 Å²	108	129.3 Å²	129.3	76%	0.755	75%	0.745	S	S	*	*			cis	-176.6	158.4	-1.9	34.5	0	0	0	0	108.6
1008	T	35.1	Very low	33.6	Very low	116 Å²	116	132.7 Å²	132.7	71%	0.712	75%	0.749	S	S	*	*			cis	-170	111.6	-20.1	-74.8	0	0	0	0	111.2
1009	L	35.4	Very low	33.3	Very low	159 Å²	159	134.9 Å²	134.9	83%	0.832	75%	0.749	S	S	*	*			trans	67	-177	151.4	-61.9	170.6	0	0	0	119.2
1010	P	39.2	Very low	33.6	Very low	99 Å²	99	136.4 Å²	136.4	64%	0.643	75%	0.751	S	S	*	*				-146	-176.8	-87.7	45.5	-26	0	0	0	119.2
1011	N	30.3	Very low	33.4	Very low	142 Å²	142	136.6 Å²	136.6	76%	0.759	75%	0.748	S	S	*	*			trans	80.9	141.9	140.1	-88.7	-10.4	0	0	0	125.6
1012	L	31.8	Very low	33.7	Very low	148 Å²	148	138 Å²	138	78%	0.775	75%	0.751	S	S	*	*			trans	69.6	150.1	152.3	-94.6	75.9	0	0	0	118.9
1013	S	35.3	Very low	33.5	Very low	93 Å²	93	137.1 Å²	137.1	65%	0.65	74%	0.743	S	S	*	*			cis	-158.9	159.2	6.4	50	0	0	0	0	116.5
1014	H	34.5	Very low	33.7	Very low	154 Å²	154	137 Å²	137	71%	0.713	74%	0.742	S	S	*	*			trans	66.7	125.7	140.3	-76.1	-44.9	0	0	0	126
1015	I	34.4	Very low	33.2	Very low	138 Å²	138	140.7 Å²	140.7	71%	0.708	75%	0.75	S	S	*	*			trans	76.7	140.7	130.4	-65.4	170.9	0	0	0	116.8
1016	H	35	Very low	33.2	Very low	175 Å²	175	142 Å²	142	81%	0.81	75%	0.753	S	S	*	*			cis	-127.2	169.6	15.3	-142.5	101.9	0	0	0	112.9
1017	Q	30.1	Very low	32.7	Very low	151 Å²	151	147 Å²	147	71%	0.706	75%	0.752	S	S	*	*			trans	-128.9	139.4	-172.2	170.4	-174.4	2	0	0	110.9
1018	H	35.5	Very low	32.3	Very low	179 Å²	179	148 Å²	148	83%	0.829	75%	0.745	S	S	*	*			trans	-162.2	129.2	142.1	-116.8	-71.4	0	0	0	113.4
1019	Q	28.9	Very low	32	Very low	153 Å²	153	148.8 Å²	148.8	72%	0.715	74%	0.741	S	S	*	*			trans	-90.5	163.2	161.3	-61.9	168	-55.6	0	0	109.5
1020	I	33.5	Very low	31.8	Very low	161 Å²	161	148.4 Å²	148.4	83%	0.826	73%	0.734	S	S	*	*			trans	-153.7	141.8	134.5	-102.3	150.1	0	0	0	108.6
1021	T	27.4	Very low	31.5	Very low	114 Å²	114	152.1 Å²	152.1	70%	0.699	74%	0.743	S	S	*	*			trans	-132.4	126.5	-177.9	-57.6	0	0	0	0	109.7
1022	Q	34.3	Very low	31.7	Very low	174 Å²	174	151.1 Å²	151.1	81%	0.813	74%	0.744	S	S	*	*			trans	176.5	156.3	162.2	-99.5	146.2	100.7	0	0	106.7
1023	Q	29.3	Very low	31.8	Very low	148 Å²	148	149.1 Å²	149.1	69%	0.692	74%	0.743	S	S	*	*			cis	159.2	152.3	-22.8	-111.2	-163.3	24.7	0	0	104.7
1024	Q	34.1	Very low	31.6	Very low	159 Å²	159	150.5 Å²	150.5	74%	0.743	75%	0.747	S	S	*	*			trans	68.6	127.1	170.4	-59.4	156.8	45.4	0	0	114.2
1025	Q	27.7	Very low	31.5	Very low	181 Å²	181	149.1 Å²	149.1	85%	0.846	75%	0.75	S	S	*	*			cis	89.7	151.1	37.7	-165.1	176.1	25.3	0	0	112.6
1026	V	32.6	Very low	31.5	Very low	135 Å²	135	146.7 Å²	146.7	82%	0.818	75%	0.745	S	S	*	*			trans	82.5	133.8	-167.5	-172.4	0	0	0	0	112.8
1027	R	27.2	Very low	31.3	Very low	199 Å²	199	145.4 Å²	145.4	75%	0.751	74%	0.744	S	S	*	*			cis	143.1	115.6	-23.2	170.9	-176.4	174.2	173.1	1.4	109
1028	Q	26.9	Very low	31.5	Very low	129 Å²	129	143.1 Å²	143.1	60%	0.603	74%	0.742	S	S	*	*			trans	66.2	153.8	165.6	-67.7	175.7	-75.3	0	0	114.9
1029	E	28.7	Very low	31.2	Very low	134 Å²	134	139.5 Å²	139.5	63%	0.626	73%	0.733	S	S	*	*			cis	-161.7	165.5	-1.7	-127.8	174.1	-149.3	0	0	114.7
1030	H	31.8	Very low	31.1	Very low	150 Å²	150	140 Å²	140	69%	0.694	74%	0.735	S	S	*	*			trans	67.6	123	143.1	-85.8	119.9	0	0	0	126.4
1031	Q	31.5	Very low	31	Very low	177 Å²	177	138.5 Å²	138.5	83%	0.827	73%	0.727	S	S	*	*			trans	110	146	132.6	-78	-158.6	3.8	0	0	121.8
1032	P	35.6	Very low	30.8	Very low	121 Å²	121	138.5 Å²	138.5	79%	0.786	72%	0.717	S	S	*	*			trans	-137.7	178.4	-152.6	43.5	-24.3	0	0	0	116.7
1033	S	32.7	Very low	30.6	Very low	106 Å²	106	136 Å²	136	74%	0.741	71%	0.714	S	S	*	*			trans	-157	118.6	154	60.8	0	0	0	0	113.4
1034	T	31.7	Very low	30.4	Very low	122 Å²	122	134 Å²	134	75%	0.748	71%	0.708	S	S	*	*			trans	17	135.7	135.4	55.1	0	0	0	0	118.5
1035	T	33.3	Very low	30.3	Very low	125 Å²	125	134.3 Å²	134.3	77%	0.767	72%	0.715	S	S	*	*			cis	-169.8	179.4	24.7	-1.5	0	0	0	0	109.2
1036	S	33.8	Very low	30.3	Very low	88 Å²	88	133.7 Å²	133.7	62%	0.615	72%	0.716	S	S	*	*			cis	-166.9	140.8	3	40.1	0	0	0	0	111.7
1037	L	31.6	Very low	30.2	Very low	148 Å²	148	134.4 Å²	134.4	78%	0.775	71%	0.714	S	S	*	*			trans	56	159.2	132.7	-65.3	164.6	0	0	0	122.1	T1039	L1037-T1039 HydrophobicContact CD2-CG2 3.97Å
1038	P	33.2	Very low	30.4	Very low	102 Å²	102	129 Å²	129	66%	0.662	70%	0.7	S	S	*	*			cis	-123.8	131.5	-12.5	37	-21.1	0	0	0	113.9
1039	T	30.2	Very low	30.7	Very low	104 Å²	104	128 Å²	128	64%	0.638	71%	0.705	S	S	*	*				68.9	150.7	103	74.4	0	0	0	0	116.8	L1037	L1037-T1039 HydrophobicContact CD2-CG2 3.97Å
1040	E	26.5	Very low	31	Very low	164 Å²	164	126.4 Å²	126.4	77%	0.766	70%	0.7	S	S	*	*			cis	-169	-166.7	-14.8	-109.9	173	-113.3	0	0	106.5
1041	I	30.1	Very low	31.2	Very low	128 Å²	128	122.6 Å²	122.6	66%	0.656	69%	0.687	S	S	*	*			cis	-140.2	138.2	12.4	-49.9	161.1	0	0	0	108.5	T668	T668-I1041 WeakPolarHBondContact CG2-O 3.39Å
1042	K	23.5	Very low	31.3	Very low	114 Å²	114	121.2 Å²	121.2	50%	0.496	68%	0.679	S	S	.	*			trans	-115.5	135.5	172.3	169.4	-177.2	-176.3	-172.2	0	110.5	L667 D1044	L667-K1042 HydrophobicContact CD1-CD 4.34Å; L667-K1042 HydrophobicContact CD2-CB 4.24Å; L667-K1042 HydrophobicContact CD2-CD 3.56Å; L667-K1042 HydrophobicContact CD2-CG 3.62Å; K1042-D1044 WeakPolarHBondContact CE-OD1 3.47Å; K1042-D1044 WeakPolarHBondContact CE-OD2 3.44Å; K1042-D1044 IonicContact NZ-OD1 3.73Å; K1042-D1044 IonicContact NZ-OD2 3.51Å; K1042-D1044 PolarHBondContact NZ-OD2 2.95Å
1043	V	29.9	Very low	31.2	Very low	122 Å²	122	118.4 Å²	118.4	74%	0.739	67%	0.666	S	S	*	*			trans	-141	119.1	162.2	-175.9	0	0	0	0	109.9
1044	D	26.8	Very low	31.4	Very low	106 Å²	106	118.3 Å²	118.3	57%	0.567	66%	0.657	S	S	*	*			trans	-84.7	153.4	166.4	-58.1	-51.8	0	0	0	109.5	K1042	K1042-D1044 WeakPolarHBondContact CE-OD1 3.47Å; K1042-D1044 WeakPolarHBondContact CE-OD2 3.44Å; K1042-D1044 IonicContact NZ-OD1 3.73Å; K1042-D1044 IonicContact NZ-OD2 3.51Å; K1042-D1044 PolarHBondContact NZ-OD2 2.95Å
1045	N	30.5	Very low	31.8	Very low	165 Å²	165	117.4 Å²	117.4	88%	0.882	65%	0.648	S	S	*	*			trans	-146.4	138.5	159.3	-123.7	-27.8	0	0	0	112.2
1046	L	27.8	Very low	32	Very low	168 Å²	168	118.4 Å²	118.4	88%	0.88	64%	0.638	S	S	*	*			trans	-99.5	125.3	-163	-165	77.7	0	0	0	110.7
1047	I	31.3	Very low	32.2	Very low	150 Å²	150	116.7 Å²	116.7	77%	0.769	63%	0.626	S	S	*	*			trans	-129.2	136.7	167.1	-62.3	-175.8	0	0	0	109.3
1048	D	31.4	Very low	32.6	Very low	86 Å²	86	115.3 Å²	115.3	46%	0.46	62%	0.617	S	S	.	*			trans	-72.4	127.3	-166.2	-177.6	-8.6	0	0	0	113.1	N1050 V1051	D1048-N1050 PolarHBondContact O-N 3.14Å; D1048-N1050 WeakPolarHBondContact OD1-CB 3.34Å; D1048-N1050 PolarHBondContact OD1-N 3.31Å; D1048-N1050 PolarHBondContact OD1-ND2 3.37Å; D1048-N1050 PolarHBondContact OD2-ND2 3.41Å; D1048-V1051 HydrophobicContact CB-CG2 4.29Å; D1048-V1051 WeakPolarHBondContact O-CB 3.47Å; D1048-V1051 PolarHBondContact O-N 2.92Å
1049	P	33	Very low	32.8	Very low	109 Å²	109	116 Å²	116	71%	0.708	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.4	-26.2	173.6	-28	35.9	0	0	0	115.1	V1051 F1052	P1049-V1051 PolarHBondContact O-N 3.39Å; P1049-F1052 PolarHBondContact O-N 3.39Å
1050	N	34.4	Very low	33.1	Very low	99 Å²	99	114.7 Å²	114.7	53%	0.529	60%	0.598	S	S	.	*	H	α-helix	trans	-64.7	-20.9	177.6	-66.4	-70.5	0	0	0	113.3	D1048 N1054	D1048-N1050 PolarHBondContact O-N 3.14Å; D1048-N1050 WeakPolarHBondContact OD1-CB 3.34Å; D1048-N1050 PolarHBondContact OD1-N 3.31Å; D1048-N1050 PolarHBondContact OD1-ND2 3.37Å; D1048-N1050 PolarHBondContact OD2-ND2 3.41Å; N1050-N1054 WeakPolarHBondContact O-CB 3.27Å; N1050-N1054 PolarHBondContact O-N 3.14Å; N1050-N1054 VanDerWaalsContact O-N 3.15Å; N1050-N1054 PolarHBondContact O-ND2 2.85Å
1051	V	36.9	Very low	33.7	Very low	70 Å²	70	111.9 Å²	111.9	42%	0.424	59%	0.585	S	S	.	*	H	α-helix	trans	-70.2	-38.4	179.7	-179.6	0	0	0	0	111.5	D1048 P1049 N1055	D1048-V1051 HydrophobicContact CB-CG2 4.29Å; D1048-V1051 WeakPolarHBondContact O-CB 3.47Å; D1048-V1051 PolarHBondContact O-N 2.92Å; P1049-V1051 PolarHBondContact O-N 3.39Å; V1051-N1055 WeakPolarHBondContact O-CB 3.46Å; V1051-N1055 PolarHBondContact O-N 2.87Å
1052	F	33	Very low	34.2	Very low	149 Å²	149	109.6 Å²	109.6	65%	0.654	58%	0.578	S	S	*	*	H	α-helix	trans	-70.8	-43	-179.8	-160.1	-91.9	0	0	0	111.6	P1049 N1054 N1055 W1056	P1049-F1052 PolarHBondContact O-N 3.39Å; F1052-N1054 PolarHBondContact O-N 2.78Å; F1052-N1055 PolarHBondContact O-N 2.97Å; F1052-W1056 AromaticContact CE1-CE3 3.93Å; F1052-W1056 HydrophobicContact CE1-CE3 3.93Å; F1052-W1056 HydrophobicContact CE1-CZ3 4.36Å; F1052-W1056 HydrophobicContact CZ-CE3 4.07Å; F1052-W1056 HydrophobicContact CZ-CZ3 4.16Å; F1052-W1056 WeakPolarHBondContact O-CB 3.15Å; F1052-W1056 PolarHBondContact O-N 2.65Å
1053	A	34.4	Very low	34.8	Very low	62 Å²	62	109.5 Å²	109.5	51%	0.512	58%	0.582	S	S	.	*	H	α-helix	trans	-61.3	-43	176.3	0	0	0	0	0	112.5	W1056 S1057	A1053-W1056 PolarHBondContact O-N 3.14Å; A1053-S1057 WeakPolarHBondContact O-CB 3.06Å; A1053-S1057 PolarHBondContact O-N 3.16Å
1054	N	36.8	Very low	35.2	Very low	103 Å²	103	110.8 Å²	110.8	55%	0.551	58%	0.582	S	S	*	*	H	α-helix	trans	-69.6	-38.2	178.2	-75.4	-45.6	0	0	0	112.7	N1050 F1052 S1057 M1058	N1050-N1054 WeakPolarHBondContact O-CB 3.27Å; N1050-N1054 PolarHBondContact O-N 3.14Å; N1050-N1054 VanDerWaalsContact O-N 3.15Å; N1050-N1054 PolarHBondContact O-ND2 2.85Å; F1052-N1054 PolarHBondContact O-N 2.78Å; N1054-S1057 PolarHBondContact O-N 3.35Å; N1054-M1058 PolarHBondContact O-N 3.44Å
1055	N	40	Very low	35.6	Very low	104 Å²	104	115.3 Å²	115.3	56%	0.556	59%	0.591	S	S	*	*	H	α-helix	trans	-67.9	-38	174.9	-77.6	-14.1	0	0	0	112.4	V1051 F1052 S1057 M1058 F1059	V1051-N1055 WeakPolarHBondContact O-CB 3.46Å; V1051-N1055 PolarHBondContact O-N 2.87Å; F1052-N1055 PolarHBondContact O-N 2.97Å; N1055-S1057 VanDerWaalsContact C-N 3.34Å; N1055-M1058 PolarHBondContact O-N 3.35Å; N1055-F1059 WeakPolarHBondContact O-CB 3.18Å; N1055-F1059 PolarHBondContact O-N 3.13Å
1056	W	38	Very low	35.9	Very low	145 Å²	145	113.7 Å²	113.7	55%	0.549	58%	0.582	S	S	.	*	H	α-helix	trans	-66.4	-36.6	174.1	-151.4	-94.9	0	0	0	111.8	F1052 A1053 F1059 L1060	F1052-W1056 AromaticContact CE1-CE3 3.93Å; F1052-W1056 HydrophobicContact CE1-CE3 3.93Å; F1052-W1056 HydrophobicContact CE1-CZ3 4.36Å; F1052-W1056 HydrophobicContact CZ-CE3 4.07Å; F1052-W1056 HydrophobicContact CZ-CZ3 4.16Å; F1052-W1056 WeakPolarHBondContact O-CB 3.15Å; F1052-W1056 PolarHBondContact O-N 2.65Å; A1053-W1056 PolarHBondContact O-N 3.14Å; W1056-F1059 PolarHBondContact O-N 3.04Å; W1056-L1060 WeakPolarHBondContact O-CB 3.36Å; W1056-L1060 WeakPolarHBondContact O-CG 3.38Å; W1056-L1060 PolarHBondContact O-N 2.84Å
1057	S	37.1	Very low	36.3	Very low	53 Å²	53	113.3 Å²	113.3	37%	0.371	58%	0.581	S	S	.	*	H	α-helix	trans	-64.1	-45	171.9	-164.7	0	0	0	0	112.1	A1053 N1054 N1055 L1060 Q1061	A1053-S1057 WeakPolarHBondContact O-CB 3.06Å; A1053-S1057 PolarHBondContact O-N 3.16Å; N1054-S1057 PolarHBondContact O-N 3.35Å; N1055-S1057 VanDerWaalsContact C-N 3.34Å; S1057-L1060 PolarHBondContact O-N 3.31Å; S1057-Q1061 VanDerWaalsContact O-CB 3.29Å; S1057-Q1061 WeakPolarHBondContact O-CB 3.23Å; S1057-Q1061 VanDerWaalsContact O-CG 3.25Å; S1057-Q1061 WeakPolarHBondContact O-CG 3.37Å; S1057-Q1061 PolarHBondContact O-N 3.06Å; S1057-Q1061 PolarHBondContact OG-NE2 3.26Å; S1057-Q1061 VanDerWaalsContact OG-NE2 3.16Å
1058	M	39.9	Very low	36.3	Very low	118 Å²	118	113.2 Å²	113.2	58%	0.581	58%	0.582	S	S	*	*	H	α-helix	trans	-62.2	-40.5	174.5	-91.8	-78.9	-73.9	0	0	112.8	N1054 N1055 Q1061 T1062	N1054-M1058 PolarHBondContact O-N 3.44Å; N1055-M1058 PolarHBondContact O-N 3.35Å; M1058-Q1061 PolarHBondContact O-N 3.23Å; M1058-T1062 WeakPolarHBondContact O-CB 3.12Å; M1058-T1062 PolarHBondContact O-N 2.85Å; M1058-T1062 PolarHBondContact O-OG1 2.8Å
1059	F	36.5	Very low	36.5	Very low	116 Å²	116	116.6 Å²	116.6	51%	0.509	60%	0.6	S	S	.	*	H	α-helix	trans	-62.2	-50.8	176.1	179.4	-112.3	0	0	0	111.2	N1055 W1056 Q1061 T1062 L1063	N1055-F1059 WeakPolarHBondContact O-CB 3.18Å; N1055-F1059 PolarHBondContact O-N 3.13Å; W1056-F1059 PolarHBondContact O-N 3.04Å; F1059-Q1061 PolarHBondContact O-N 3.32Å; F1059-T1062 PolarHBondContact O-N 3.31Å; F1059-T1062 VanDerWaalsContact O-N 3.13Å; F1059-L1063 HydrophobicContact CD1-CD1 4.13Å; F1059-L1063 HydrophobicContact CE1-CD1 3.57Å; F1059-L1063 HydrophobicContact CE2-CD1 4.02Å; F1059-L1063 HydrophobicContact CZ-CD1 3.51Å; F1059-L1063 PolarHBondContact O-N 2.94Å
1060	L	37.8	Very low	36.4	Very low	78 Å²	78	118.3 Å²	118.3	41%	0.408	60%	0.6	S	S	.	*	H	α-helix	trans	-64	-38.8	176.3	-70.6	172.4	0	0	0	112.7	W1056 S1057 T1062 L1063 M1064	W1056-L1060 WeakPolarHBondContact O-CB 3.36Å; W1056-L1060 WeakPolarHBondContact O-CG 3.38Å; W1056-L1060 PolarHBondContact O-N 2.84Å; S1057-L1060 PolarHBondContact O-N 3.31Å; L1060-T1062 VanDerWaalsContact C-N 3.27Å; L1060-T1062 PolarHBondContact O-N 2.96Å; L1060-L1063 PolarHBondContact O-N 3.11Å; L1060-M1064 HydrophobicContact CB-CE 4.42Å; L1060-M1064 WeakPolarHBondContact O-CB 3.36Å; L1060-M1064 WeakPolarHBondContact O-CG 3.28Å; L1060-M1064 PolarHBondContact O-N 2.96Å
1061	Q	39	Very low	36.4	Very low	104 Å²	104	119.7 Å²	119.7	49%	0.486	61%	0.608	S	S	.	*	H	α-helix	trans	-67	-25.8	174	-76	-179.3	45.3	0	0	113.1	S1057 M1058 F1059 R1065	S1057-Q1061 VanDerWaalsContact O-CB 3.29Å; S1057-Q1061 WeakPolarHBondContact O-CB 3.23Å; S1057-Q1061 VanDerWaalsContact O-CG 3.25Å; S1057-Q1061 WeakPolarHBondContact O-CG 3.37Å; S1057-Q1061 PolarHBondContact O-N 3.06Å; S1057-Q1061 PolarHBondContact OG-NE2 3.26Å; S1057-Q1061 VanDerWaalsContact OG-NE2 3.16Å; M1058-Q1061 PolarHBondContact O-N 3.23Å; F1059-Q1061 PolarHBondContact O-N 3.32Å; Q1061-R1065 WeakPolarHBondContact O-CB 2.96Å
1062	T	41	Very low	36.4	Very low	81 Å²	81	121.5 Å²	121.5	50%	0.497	62%	0.623	S	S	.	*	H	α-helix	trans	-79.6	-45.2	175.1	-56.7	0	0	0	0	110.8	M1058 F1059 L1060 M1064 R1065	M1058-T1062 WeakPolarHBondContact O-CB 3.12Å; M1058-T1062 PolarHBondContact O-N 2.85Å; M1058-T1062 PolarHBondContact O-OG1 2.8Å; F1059-T1062 PolarHBondContact O-N 3.31Å; F1059-T1062 VanDerWaalsContact O-N 3.13Å; L1060-T1062 VanDerWaalsContact C-N 3.27Å; L1060-T1062 PolarHBondContact O-N 2.96Å; T1062-M1064 VanDerWaalsContact C-N 3.33Å; T1062-M1064 PolarHBondContact O-N 3.41Å; T1062-R1065 PolarHBondContact O-N 3.42Å; T1062-R1065 VanDerWaalsContact O-N 3.13Å
1063	L	34.6	Very low	36.3	Very low	112 Å²	112	120.8 Å²	120.8	59%	0.586	63%	0.626	S	S	*	*	H	α-helix	trans	-58.9	-41.4	173.6	-102.8	156.5	0	0	0	112.4	F1059 L1060 R1065	F1059-L1063 HydrophobicContact CD1-CD1 4.13Å; F1059-L1063 HydrophobicContact CE1-CD1 3.57Å; F1059-L1063 HydrophobicContact CE2-CD1 4.02Å; F1059-L1063 HydrophobicContact CZ-CD1 3.51Å; F1059-L1063 PolarHBondContact O-N 2.94Å; L1060-L1063 PolarHBondContact O-N 3.11Å; L1063-R1065 PolarHBondContact O-N 3.42Å
1064	M	38.4	Very low	36.2	Very low	149 Å²	149	128 Å²	128	73%	0.734	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	1.9	177.2	-70.4	-169.1	-68.4	0	0	114.8	L1060 T1062	L1060-M1064 HydrophobicContact CB-CE 4.42Å; L1060-M1064 WeakPolarHBondContact O-CB 3.36Å; L1060-M1064 WeakPolarHBondContact O-CG 3.28Å; L1060-M1064 PolarHBondContact O-N 2.96Å; T1062-M1064 VanDerWaalsContact C-N 3.33Å; T1062-M1064 PolarHBondContact O-N 3.41Å
1065	R	36.7	Very low	36.2	Very low	200 Å²	200	131.6 Å²	131.6	76%	0.755	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	-12	-175.7	-140.7	170	-174.2	154.6	2.5	115.5	Q1061 T1062 L1063	Q1061-R1065 WeakPolarHBondContact O-CB 2.96Å; T1062-R1065 PolarHBondContact O-N 3.42Å; T1062-R1065 VanDerWaalsContact O-N 3.13Å; L1063-R1065 PolarHBondContact O-N 3.42Å
1066	N	36.9	Very low	36.1	Very low	132 Å²	132	133.8 Å²	133.8	71%	0.706	66%	0.663	S	S	*	*	S	Bend	trans	-112.2	14.3	-162.4	-87.9	9.5	0	0	0	116
1067	N	34.5	Very low	36	Very low	160 Å²	160	132.9 Å²	132.9	86%	0.856	67%	0.668	S	S	*	*			trans	-144.1	129.6	167.4	-100.9	-41.9	0	0	0	112.3
1068	N	33	Very low	35.8	Very low	147 Å²	147	135.7 Å²	135.7	79%	0.786	69%	0.688	S	S	*	*			trans	-106.5	107.8	-178.4	-64.6	-54.7	0	0	0	110.2
1069	N	34.2	Very low	35.3	Very low	157 Å²	157	133.8 Å²	133.8	84%	0.84	70%	0.698	S	S	*	*			trans	167.7	144.6	152.2	-88.9	-22.7	0	0	0	109.4
1070	M	32.2	Very low	35	Very low	146 Å²	146	134.6 Å²	134.6	72%	0.719	71%	0.708	S	S	*	*			cis	-157.5	143.2	-20.9	-116.6	-80.2	-84.9	0	0	106.8	S1072	M1070-S1072 VanDerWaalsContact C-N 3.29Å; M1070-S1072 PolarHBondContact O-N 2.82Å
1071	D	34	Very low	34.6	Very low	127 Å²	127	138.4 Å²	138.4	68%	0.679	72%	0.723	S	S	*	*	S	Bend	trans	-43.7	-3.2	-154.8	-69.5	-79.4	0	0	0	123.7	L1073 R1074	D1071-L1073 VanDerWaalsContact C-N 3.3Å; D1071-L1073 PolarHBondContact O-N 3.08Å; D1071-L1073 VanDerWaalsContact O-N 3.12Å; D1071-R1074 PolarHBondContact O-N 3.49Å
1072	S	35.8	Very low	34.2	Very low	108 Å²	108	140 Å²	140	76%	0.755	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-60.8	-27.9	-169.6	-58.1	0	0	0	0	115.8	M1070 R1074	M1070-S1072 VanDerWaalsContact C-N 3.29Å; M1070-S1072 PolarHBondContact O-N 2.82Å; S1072-R1074 PolarHBondContact O-N 3.28Å
1073	L	31.6	Very low	33.7	Very low	134 Å²	134	142.9 Å²	142.9	70%	0.702	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-82.3	-12.4	-171.4	-148.3	136.8	0	0	0	113.8	D1071 I1077	D1071-L1073 VanDerWaalsContact C-N 3.3Å; D1071-L1073 PolarHBondContact O-N 3.08Å; D1071-L1073 VanDerWaalsContact O-N 3.12Å; L1073-I1077 HydrophobicContact CD2-CD1 4.04Å
1074	R	33.2	Very low	33.5	Very low	215 Å²	215	142.8 Å²	142.8	81%	0.811	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-80.4	-17.7	-175.9	-88.2	-172.7	168.2	-143.4	-3.1	115.6	D1071 S1072	D1071-R1074 PolarHBondContact O-N 3.49Å; S1072-R1074 PolarHBondContact O-N 3.28Å
1075	Q	36.9	Very low	33.1	Very low	177 Å²	177	141.9 Å²	141.9	83%	0.827	76%	0.759	S	S	*	*	S	Bend	trans	-81.7	-23.1	-179.8	-74.2	-168.6	-9.6	0	0	114.2	I1077	Q1075-I1077 PolarHBondContact O-N 2.82Å
1076	I	37.1	Very low	32.7	Very low	150 Å²	150	138 Å²	138	77%	0.769	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-18.7	-170.3	-64.3	172.8	0	0	0	112.7
1077	I	36.5	Very low	32.1	Very low	127 Å²	127	137.5 Å²	137.5	65%	0.651	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.1	8.9	-166.5	-58.4	176.9	0	0	0	112.7	L1073 Q1075	L1073-I1077 HydrophobicContact CD2-CD1 4.04Å; Q1075-I1077 PolarHBondContact O-N 2.82Å
1078	S	31.7	Very low	31.7	Very low	112 Å²	112	136.7 Å²	136.7	78%	0.783	76%	0.76	S	S	*	*			trans	-153	106	179.7	-73.3	0	0	0	0	114.7
1079	G	30.1	Very low	31.3	Very low	77 Å²	77	136.9 Å²	136.9	79%	0.794	76%	0.761	S	S	*	*			trans	152.1	62.8	178.8	0	0	0	0	0	112.6
1080	N	30.4	Very low	31.1	Very low	134 Å²	134	137.5 Å²	137.5	72%	0.717	76%	0.762	S	S	*	*				72.1	94	78.4	-165.9	44.5	0	0	0	115.3
1081	Q	29	Very low	31	Very low	158 Å²	158	135.3 Å²	135.3	74%	0.738	76%	0.761	S	S	*	*			trans	47.5	122.8	148.4	-59.2	178.6	21.1	0	0	120.5
1082	N	30.1	Very low	30.7	Very low	138 Å²	138	137.2 Å²	137.2	74%	0.738	77%	0.772	S	S	*	*				-176.5	132.1	110.4	-97.8	-58.8	0	0	0	115.1
1083	N	30.7	Very low	30.6	Very low	140 Å²	140	137.8 Å²	137.8	75%	0.749	77%	0.771	S	S	*	*			trans	47.5	111.3	144.7	-69.8	-19.7	0	0	0	123.5
1084	S	30.3	Very low	30.6	Very low	110 Å²	110	137.6 Å²	137.6	77%	0.769	77%	0.771	S	S	*	*				117.7	134.4	106.3	74	0	0	0	0	121.7
1085	V	30.3	Very low	30.5	Very low	130 Å²	130	132.8 Å²	132.8	79%	0.788	77%	0.77	S	S	*	*			trans	80.5	101	145.1	171.9	0	0	0	0	121.5
1086	V	28.4	Very low	30.3	Very low	120 Å²	120	129.6 Å²	129.6	73%	0.727	76%	0.763	S	S	*	*			trans	67.5	96.7	130.3	-174.5	0	0	0	0	121
1087	T	23.8	Very low	30.3	Very low	120 Å²	120	125.2 Å²	125.2	74%	0.736	75%	0.749	S	S	*	*				55.5	112	120.2	-43	0	0	0	0	121.9
1088	T	27.8	Very low	30	Very low	143 Å²	143	127.8 Å²	127.8	88%	0.877	75%	0.752	S	S	*	*				-151.9	157.1	129.6	16.8	0	0	0	0	111.5
1089	N	24.4	Very low	30	Very low	152 Å²	152	128 Å²	128	81%	0.813	74%	0.739	S	S	*	*			trans	-72.8	145.3	-179.6	-59.6	-30.2	0	0	0	113
1090	I	28.8	Very low	30.4	Very low	169 Å²	169	131.1 Å²	131.1	87%	0.867	73%	0.734	S	S	*	*			trans	-150	142.9	139	-97.3	146.4	0	0	0	107.2
1091	S	30.6	Very low	30.5	Very low	100 Å²	100	130.9 Å²	130.9	70%	0.699	73%	0.729	S	S	*	*			trans	-112	131.6	-172.1	55.1	0	0	0	0	113
1092	N	27.2	Very low	30.7	Very low	168 Å²	168	129.1 Å²	129.1	90%	0.898	72%	0.724	S	S	*	*			trans	43.6	89.6	156.3	-62.8	6.8	0	0	0	118.1
1093	T	33	Very low	30.9	Very low	120 Å²	120	128.5 Å²	128.5	74%	0.736	72%	0.718	S	S	*	*			trans	-139.6	115.7	160.4	52.8	0	0	0	0	112
1094	N	33.2	Very low	31.3	Very low	130 Å²	130	129.7 Å²	129.7	70%	0.695	72%	0.719	S	S	*	*			trans	33.1	84.2	157.6	-62.3	-1.2	0	0	0	119.6	T1096 A1097	N1094-T1096 PolarHBondContact O-N 3.3Å; N1094-A1097 HydrophobicContact CB-CB 4.21Å; N1094-A1097 PolarHBondContact O-N 3.07Å
1095	S	29.6	Very low	31.3	Very low	114 Å²	114	130.2 Å²	130.2	80%	0.797	71%	0.713	S	S	*	*	H	α-helix	trans	-60	-30.6	163.9	-45.4	0	0	0	0	113.2	A1097	S1095-A1097 VanDerWaalsContact C-N 3.31Å; S1095-A1097 PolarHBondContact O-N 2.79Å
1096	T	33.6	Very low	31.3	Very low	110 Å²	110	133.3 Å²	133.3	68%	0.675	72%	0.717	S	S	*	*	H	α-helix	trans	-70.1	-22.8	-175.1	-11.6	0	0	0	0	114.1	N1094	N1094-T1096 PolarHBondContact O-N 3.3Å
1097	A	36.2	Very low	31.3	Very low	58 Å²	58	132.9 Å²	132.9	48%	0.479	72%	0.716	S	S	.	*	H	α-helix	trans	-71.5	-41.5	-179.6	0	0	0	0	0	111.9	N1094 S1095 F1099 M1100 E1101	N1094-A1097 HydrophobicContact CB-CB 4.21Å; N1094-A1097 PolarHBondContact O-N 3.07Å; S1095-A1097 VanDerWaalsContact C-N 3.31Å; S1095-A1097 PolarHBondContact O-N 2.79Å; A1097-F1099 VanDerWaalsContact C-N 3.29Å; A1097-F1099 PolarHBondContact O-N 2.71Å; A1097-M1100 PolarHBondContact O-N 3.23Å; A1097-E1101 PolarHBondContact O-N 2.68Å
1098	Y	31.8	Very low	31.7	Very low	181 Å²	181	137.5 Å²	137.5	71%	0.71	73%	0.727	S	S	*	*	H	α-helix	trans	-69.9	-24.7	-176.6	-128.9	-98.9	0	0	0	113.3	L1102	Y1098-L1102 PolarHBondContact O-N 3.08Å
1099	F	31.7	Very low	31.9	Very low	116 Å²	116	139.5 Å²	139.5	51%	0.509	73%	0.725	S	S	.	*	H	α-helix	trans	-76.5	-36.7	178	-164.6	-101	0	0	0	112.4	M651 A1097 E1101 L1102 M1103	M651-F1099 HydrophobicContact CE-CE1 4.4Å; M651-F1099 HydrophobicContact CE-CZ 4.06Å; M651-F1099 HydrophobicContact SD-CE1 4Å; M651-F1099 HydrophobicContact SD-CZ 3.7Å; A1097-F1099 VanDerWaalsContact C-N 3.29Å; A1097-F1099 PolarHBondContact O-N 2.71Å; F1099-E1101 VanDerWaalsContact C-N 3.34Å; F1099-L1102 PolarHBondContact O-N 2.71Å; F1099-M1103 HydrophobicContact CE1-CG 4.35Å; F1099-M1103 PolarHBondContact O-N 3.42Å
1100	M	37.3	Very low	32	Very low	143 Å²	143	137.9 Å²	137.9	70%	0.704	72%	0.717	S	S	*	*	H	α-helix	trans	-64.7	-37.9	176.2	-68.2	-90.2	-79.9	0	0	111.9	A1097	A1097-M1100 PolarHBondContact O-N 3.23Å
1101	E	32.4	Very low	32.2	Very low	128 Å²	128	137.2 Å²	137.2	60%	0.598	72%	0.715	S	S	*	*	H	α-helix	trans	-72.7	-28.4	178.9	-165.1	168	-164.8	0	0	112.7	A1097 F1099 N1105	A1097-E1101 PolarHBondContact O-N 2.68Å; F1099-E1101 VanDerWaalsContact C-N 3.34Å; E1101-N1105 PolarHBondContact O-ND2 2.94Å
1102	L	33.1	Very low	32.1	Very low	121 Å²	121	138.2 Å²	138.2	63%	0.634	71%	0.712	S	S	*	*	H	α-helix	trans	-75.2	-31.4	178.7	-145.3	82.7	0	0	0	113.3	Y1098 F1099 Q1104	Y1098-L1102 PolarHBondContact O-N 3.08Å; F1099-L1102 PolarHBondContact O-N 2.71Å; L1102-Q1104 PolarHBondContact O-N 2.62Å
1103	M	35.8	Very low	32.4	Very low	126 Å²	126	136.8 Å²	136.8	62%	0.621	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-9.9	-177.9	-78.1	-67.2	-65.2	0	0	114.4	F1099	F1099-M1103 HydrophobicContact CE1-CG 4.35Å; F1099-M1103 PolarHBondContact O-N 3.42Å
1104	Q	37.4	Very low	32.4	Very low	164 Å²	164	137 Å²	137	77%	0.766	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	1.8	-176.3	-77.2	-174.8	-26.1	0	0	115.4	L1102	L1102-Q1104 PolarHBondContact O-N 2.62Å
1105	N	30.3	Very low	32.3	Very low	121 Å²	121	137.2 Å²	137.2	65%	0.647	70%	0.703	S	S	*	*			trans	-124.7	35.4	-163.3	-78.2	-69.4	0	0	0	116.7	E1101	E1101-N1105 PolarHBondContact O-ND2 2.94Å
1106	F	30.3	Very low	32.3	Very low	196 Å²	196	138.9 Å²	138.9	86%	0.86	70%	0.703	S	S	*	*			trans	-131.5	110	169.6	-87.2	-77.8	0	0	0	113.3
1107	P	30	Very low	32.2	Very low	111 Å²	111	141 Å²	141	72%	0.721	71%	0.71	S	S	*	*			trans	-98.2	151.2	179.2	36.7	-33.1	0	0	0	113.3
1108	F	32.2	Very low	31.8	Very low	217 Å²	217	143.4 Å²	143.4	95%	0.952	72%	0.722	S	S	*	*			trans	-132.7	146.6	156.5	-92.7	-79.1	0	0	0	111
1109	H	30.9	Very low	31.7	Very low	184 Å²	184	141.8 Å²	141.8	85%	0.852	72%	0.724	S	S	*	*			trans	-100.2	133.6	-153.6	-146.3	-69	0	0	0	113.4
1110	N	27.8	Very low	31.5	Very low	119 Å²	119	143.5 Å²	143.5	64%	0.636	74%	0.739	S	S	*	*			trans	-77.2	147.8	169.1	-174.8	-3.7	0	0	0	110.5
1111	N	31.6	Very low	31.1	Very low	155 Å²	155	144.9 Å²	144.9	83%	0.829	75%	0.745	S	S	*	*			trans	-153.1	116	159.3	-146	4.2	0	0	0	112.7
1112	N	29.8	Very low	30.9	Very low	120 Å²	120	145.8 Å²	145.8	64%	0.642	75%	0.754	S	S	*	*			trans	-88.2	152	173.5	-86.9	-48.4	0	0	0	111.2
1113	N	32.2	Very low	30.7	Very low	139 Å²	139	145.4 Å²	145.4	74%	0.743	76%	0.761	S	S	*	*				173.7	137.8	120.5	-89.7	-27.5	0	0	0	115.5
1114	N	32.8	Very low	30.3	Very low	125 Å²	125	143.8 Å²	143.8	67%	0.668	77%	0.768	S	S	*	*			trans	63.4	113.2	139.5	-59.2	-16.8	0	0	0	122.6
1115	N	32.5	Very low	30	Very low	134 Å²	134	143.3 Å²	143.3	72%	0.717	77%	0.77	S	S	*	*				63.8	114.3	123.8	-58.7	-8	0	0	0	121.5
1116	N	29	Very low	30	Very low	149 Å²	149	143 Å²	143	80%	0.797	77%	0.773	S	S	*	*				43.2	89.3	129.5	-59.3	-2.4	0	0	0	118.5
1117	N	31.2	Very low	30	Very low	153 Å²	153	139.1 Å²	139.1	82%	0.818	77%	0.769	S	S	*	*			trans	-166.1	147	145.2	-106.1	-47.7	0	0	0	111.9
1118	C	27.5	Very low	30.1	Very low	110 Å²	110	138.4 Å²	138.4	74%	0.743	77%	0.767	S	S	*	*			trans	53.1	111.7	161.3	-57.8	0	0	0	0	116.7
1119	I	29.7	Very low	30.1	Very low	147 Å²	147	134.4 Å²	134.4	75%	0.754	76%	0.761	S	S	*	*			cis	48	115.3	48.2	-63.2	-178.6	0	0	0	113.3
1120	N	27.7	Very low	30	Very low	152 Å²	152	130 Å²	130	81%	0.813	76%	0.756	S	S	*	*			trans	66.6	113.4	167.7	-60.1	-20	0	0	0	119.3
1121	M	28.5	Very low	30.3	Very low	171 Å²	171	129.5 Å²	129.5	84%	0.842	76%	0.759	S	S	*	*			trans	-173.3	119.1	133.9	-98.8	-65.4	-169.4	0	0	110.4
1122	L	29	Very low	30.1	Very low	147 Å²	147	128.4 Å²	128.4	77%	0.77	76%	0.758	S	S	*	*			trans	50.8	126.6	166.2	-75.1	71.9	0	0	0	118.8
1123	S	27.9	Very low	30.1	Very low	113 Å²	113	127 Å²	127	79%	0.79	76%	0.764	S	S	*	*			cis	76.5	70.3	8.7	97.2	0	0	0	0	119
1124	A	28.5	Very low	29.9	Very low	93 Å²	93	125.3 Å²	125.3	77%	0.769	76%	0.763	S	S	*	*			trans	-168.7	136.2	144.6	0	0	0	0	0	107.8
1125	L	30.1	Very low	29.8	Very low	153 Å²	153	125.5 Å²	125.5	80%	0.801	77%	0.768	S	S	*	*	S	Bend	cis	-132	139.9	18	-73.6	161.2	0	0	0	112.8
1126	T	31.2	Very low	29.5	Very low	116 Å²	116	123.7 Å²	123.7	71%	0.712	77%	0.766	S	S	*	*			trans	44.3	100.9	144.3	58.9	0	0	0	0	119.3
1127	S	30.1	Very low	29.5	Very low	113 Å²	113	121.4 Å²	121.4	79%	0.79	76%	0.762	S	S	*	*				91.9	141.2	69.7	68.1	0	0	0	0	113.8
1128	S	31.7	Very low	29.5	Very low	97 Å²	97	119 Å²	119	68%	0.678	76%	0.757	S	S	*	*			cis	-153.7	141.8	12.4	54.7	0	0	0	0	114.5
1129	T	32.1	Very low	29.6	Very low	132 Å²	132	118.5 Å²	118.5	81%	0.81	76%	0.755	S	S	*	*			trans	45.5	118	142.5	58.5	0	0	0	0	121.9
1130	A	28.3	Very low	29.6	Very low	92 Å²	92	116.6 Å²	116.6	76%	0.76	76%	0.755	S	S	*	*			trans	-77	-165.1	152.3	0	0	0	0	0	110.4
1131	P	34.8	Very low	29.7	Very low	108 Å²	108	114.2 Å²	114.2	70%	0.701	75%	0.75	S	S	*	*			cis	-143.2	180	5.4	41.3	-19.9	0	0	0	118
1132	T	27.4	Very low	29.7	Very low	132 Å²	132	113.8 Å²	113.8	81%	0.81	75%	0.748	S	S	*	*			trans	44.6	115.2	150.2	52.1	0	0	0	0	121.3
1133	A	30.9	Very low	29.6	Very low	92 Å²	92	111.2 Å²	111.2	76%	0.76	73%	0.73	S	S	*	*				-171.8	135.6	120.9	0	0	0	0	0	113.9
1134	S	27.4	Very low	29.5	Very low	103 Å²	103	110.5 Å²	110.5	72%	0.72	71%	0.714	S	S	*	*			trans	40	126	143	65.5	0	0	0	0	123.6
1135	V	29.3	Very low	29.3	Very low	128 Å²	128	116.8 Å²	116.8	78%	0.776	72%	0.724	S	S	*	*				82.3	102.7	127.1	174.6	0	0	0	0	120.2
1136	S	27.5	Very low	29.3	Very low	97 Å²	97	115 Å²	115	68%	0.678	72%	0.721	S	S	*	*			trans	77.2	134.4	137.3	75.9	0	0	0	0	123.4
1137	S	29.3	Very low	29.2	Very low	101 Å²	101	114.9 Å²	114.9	71%	0.706	72%	0.721	S	S	*	*			trans	84.4	124.9	136.4	70.2	0	0	0	0	122.2
1138	S	29.7	Very low	29.1	Very low	103 Å²	103	115 Å²	115	72%	0.72	72%	0.717	S	S	*	*			trans	71.9	116.2	141.9	48.5	0	0	0	0	122.4
1139	S	30.5	Very low	29	Very low	99 Å²	99	116.1 Å²	116.1	69%	0.692	72%	0.72	S	S	*	*			trans	70.9	96.1	133.2	64.8	0	0	0	0	121.6
1140	S	29.1	Very low	28.8	Very low	107 Å²	107	115.1 Å²	115.1	75%	0.748	71%	0.714	S	S	*	*				76.6	141.7	119.6	74.3	0	0	0	0	121.5
1141	S	30.1	Very low	28.8	Very low	101 Å²	101	116.6 Å²	116.6	71%	0.706	71%	0.711	S	S	*	*			trans	63.5	80	160.7	-60.3	0	0	0	0	117.7
1142	M	29.7	Very low	28.4	Very low	163 Å²	163	117.2 Å²	117.2	80%	0.803	71%	0.712	S	S	*	*				-167.8	140.7	110.9	-92.6	-163.8	-166.4	0	0	107.4
1143	K	26.8	Very low	28.5	Very low	93 Å²	93	116.1 Å²	116.1	40%	0.404	70%	0.704	S	S	.	*			cis	69.9	101.4	41	-48.1	168.4	153.6	-151.1	0	110.5	N564 R565 N566 V567	N564-K1143 PolarHBondContact O-NZ 3.15Å; R565-K1143 WeakPolarHBondContact O-CD 3.15Å; R565-K1143 WeakPolarHBondContact O-CE 3.49Å; R565-K1143 PolarHBondContact O-NZ 3.04Å; N566-K1143 HydrophobicContact CB-CB 4.46Å; V567-K1143 PolarHBondContact O-N 3.07Å
1144	H	25.3	Very low	28.3	Very low	98 Å²	98	118.1 Å²	118.1	45%	0.454	70%	0.699	S	S	.	*			cis	-163.5	150.2	25.9	176.7	22.2	0	0	0	110.7	N566	N566-H1144 HydrophobicContact CB-CB 3.69Å; N566-H1144 VanDerWaalsContact CB-CG 3.44Å; N566-H1144 WeakPolarHBondContact CB-ND1 3.36Å; N566-H1144 VanDerWaalsContact CG-CB 3.43Å; N566-H1144 PolarHBondContact ND2-CD2 2.91Å; N566-H1144 VanDerWaalsContact ND2-CG 3.32Å; N566-H1144 PolarHBondContact ND2-NE2 3.48Å; N566-H1144 WeakPolarHBondContact OD1-CB 3.43Å
1145	F	24.7	Very low	28.4	Very low	224 Å²	224	119.5 Å²	119.5	98%	0.982	70%	0.697	S	S	*	*				-142.9	0	128.3	-129.1	-91.2	0	0	0	110.6	V567	V567-F1145 WeakPolarHBondContact CB-O 3.43Å; V567-F1145 WeakPolarHBondContact CG1-O 3.33Å; V567-F1145 WeakPolarHBondContact CG2-O 3.33Å

Retrieved 1,145 of 1,145 residues in 1486.7 ms (Link to these results)

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