A0A3Q0KHC6_SCHMA Loading...

DNA 3'-5' helicase

AlphaFold DB (A0A5K4EG07), UniProt , Accession A0A3Q0KHC6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,136 aa.

						>A0A3Q0KHC6_SCHMA|A0A3Q0KHC6
MEKECCANPWDLRPNIKRPTSKCAPPLLLDVSKKLKQNLSGHPSHKEPFRAKYPPKVTSKSSGKENDANKLQSNQAFHMSEQHLLVRSKSGHTLKDVDNFPLDSLKVPSLTASYQNSRSQCNTLKEESFCHSVTGSTSIHSNIIKPRITKCGSLLGRSLTNEVDTSNIAVNPPVINFDSTNTNNTINSLETPDVQFVNDIREVDAGHIVPTRPVEDTLNMCVSNRLRSNRSSFPVHNYIKLNLKKKQFCSNGSSRQRTLRRKVYLNKLRKKFKNVHHKTNSCFICGVSGHWANKCPQTIMKPQPSINNNLLDWQQSDNTCKILSLAELDNRYFPAQINDVLPIEFISNLPKQSSVDELSRRVQCCLQDLGFESFRPGQELVILRTLLGISTLAVMPTAFGKSLCYQIPALIHQQVYKTVALVISPLISLMEDQVIQPISGLHGTFLNSSQSVDRKKEILEEAHRGKYSFLMLSPEAIVDSDWMLQSGRLPPISFVCIDEAHCLADWSNHFRPSYLRVCNLLRKYMGVNCFLGLSATCTPDVITNICNNLGIHNPTRFVGDTINETTLHQPGYVQPVLTPLPSHLTISASMDDKKDEALLKLLTRKPFNRLTGGILIYCATREETEHLASYIRTALQDKVDQVGRRRMSWTTAAYHAGQTTSERSRIQKKFMSGKIRVLIATCAFGMGLNKSDLQAVIHFSLTKSFENYVQEIGRVGRQQQVSYCHAFLPSSLMSDPHEANYIRRHIFANHLDAVLLKRLLGLIFKDFHCTCRFVENHKENPVSCQGHVHAIDLRVISEQIDIKPESLATILAYIELEPGNPIISLLHSGYAMATVHCYGGQQEMAYACQRCLAVSGALSLWKSEQTKDTQTINEYPRQLTLNLPQLFNRWGWKPNVVKQELKKLEWDYSKRNNTTEASSKAYRTGINIDFSHWSSWLWIHGSEVPITNERLDTCLTYLNNRLQQAEEAALLSIEQLTLALGAVAQPCLQDIYPEETNDDLESPKPACKKYSEQWSSVVHEIIKSHFAGTKSNLRDDKLALIENCQSRYHWPTVVTDTQIAQVQTTVRNFVHIYESSLDRKITGRTIANIFHGISTPHFPATTWSYCRRFWKVHLDIDWRTIKKIATQELLIHFSCT
					

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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	27	Very low	32.9	Very low	210 Å²	210	146.7 Å²	146.7	100%	1.034	77%	0.771	S	S	*	*				0	-25.2	0	-78.5	177.6	152.5	0	0	113.7	K3 E4	M1-K3 PolarHBondContact O-N 3.09Å; M1-E4 PolarHBondContact O-N 3.27Å
2	E	30	Very low	32.7	Very low	194 Å²	194	148.3 Å²	148.3	91%	0.907	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	8.9	-173.2	-55.2	172.9	125.8	0	0	118.2
3	K	33.1	Very low	33.9	Very low	207 Å²	207	151 Å²	151	90%	0.9	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.1	-4.7	179.7	-79.1	-173.4	175.3	175.9	0	115.2	M1	M1-K3 PolarHBondContact O-N 3.09Å
4	E	32.2	Very low	33.7	Very low	156 Å²	156	148.2 Å²	148.2	73%	0.729	77%	0.769	S	S	*	*	S	Bend	trans	-102.9	-20.6	-173.7	-67.2	175.1	139.4	0	0	113.4	M1 C6	M1-E4 PolarHBondContact O-N 3.27Å; E4-C6 PolarHBondContact O-N 2.73Å
5	C	31.2	Very low	33.4	Very low	118 Å²	118	149.3 Å²	149.3	80%	0.797	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	21.7	-175	-55.2	0	0	0	0	115.7
6	C	32.5	Very low	33.2	Very low	123 Å²	123	149.2 Å²	149.2	83%	0.831	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.4	17.6	-179.5	-65.9	0	0	0	0	114.3	E4 N8	E4-C6 PolarHBondContact O-N 2.73Å; C6-N8 PolarHBondContact O-N 3.03Å
7	A	34.7	Very low	32.9	Very low	88 Å²	88	151.9 Å²	151.9	73%	0.727	78%	0.78	S	S	*	*			trans	-81.4	110.6	168.8	0	0	0	0	0	110.3
8	N	39.5	Very low	32.7	Very low	106 Å²	106	156.3 Å²	156.3	57%	0.567	79%	0.785	S	S	*	*			trans	-73.9	121.3	169.7	179.3	-13.8	0	0	0	108.9	C6 W10 D11	C6-N8 PolarHBondContact O-N 3.03Å; N8-W10 PolarHBondContact O-N 3.38Å; N8-W10 PolarHBondContact OD1-N 3.25Å; N8-W10 VanDerWaalsContact OD1-N 3.13Å; N8-D11 PolarHBondContact O-N 3.49Å
9	P	33.6	Very low	32.4	Very low	112 Å²	112	154.6 Å²	154.6	73%	0.727	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-8.1	-174.5	25.8	-35	0	0	0	115
10	W	27.3	Very low	32.3	Very low	217 Å²	217	153.8 Å²	153.8	82%	0.822	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	4.8	-179.6	-59.8	98.2	0	0	0	114.8	N8 L12	N8-W10 PolarHBondContact O-N 3.38Å; N8-W10 PolarHBondContact OD1-N 3.25Å; N8-W10 VanDerWaalsContact OD1-N 3.13Å; W10-L12 PolarHBondContact O-N 2.93Å; W10-L12 VanDerWaalsContact O-N 3.11Å
11	D	41.1	Very low	32	Very low	83 Å²	83	152 Å²	152	44%	0.444	79%	0.79	S	S	.	*			trans	-83.8	81.4	179.3	-160.6	-12.5	0	0	0	112.7	N8 R13	N8-D11 PolarHBondContact O-N 3.49Å; D11-R13 VanDerWaalsContact CG-NH2 3.35Å; D11-R13 PolarHBondContact O-N 2.96Å; D11-R13 IonicContact OD1-CZ 3.15Å; D11-R13 IonicContact OD1-NE 3.39Å; D11-R13 PolarHBondContact OD1-NE 3.4Å; D11-R13 IonicContact OD1-NH2 2.72Å; D11-R13 PolarHBondContact OD1-NH2 3.04Å; D11-R13 IonicContact OD2-CZ 3.67Å; D11-R13 IonicContact OD2-NE 2.73Å; D11-R13 IonicContact OD2-NH2 3.62Å; D11-R13 PolarHBondContact OD2-NH2 3.41Å
12	L	30.1	Very low	32	Very low	165 Å²	165	151.4 Å²	151.4	86%	0.864	78%	0.782	S	S	*	*			trans	-75	25.8	-177.8	-64.6	174.7	0	0	0	114.9	W10	W10-L12 PolarHBondContact O-N 2.93Å; W10-L12 VanDerWaalsContact O-N 3.11Å
13	R	48.5	Very low	31.9	Very low	184 Å²	184	148.5 Å²	148.5	69%	0.694	78%	0.781	S	S	*	*	S	Bend	trans	-93.9	138.6	177.7	-67.1	176.5	-65.5	173.7	4.4	110.7	D11 N15	D11-R13 VanDerWaalsContact CG-NH2 3.35Å; D11-R13 PolarHBondContact O-N 2.96Å; D11-R13 IonicContact OD1-CZ 3.15Å; D11-R13 IonicContact OD1-NE 3.39Å; D11-R13 PolarHBondContact OD1-NE 3.4Å; D11-R13 IonicContact OD1-NH2 2.72Å; D11-R13 PolarHBondContact OD1-NH2 3.04Å; D11-R13 IonicContact OD2-CZ 3.67Å; D11-R13 IonicContact OD2-NE 2.73Å; D11-R13 IonicContact OD2-NH2 3.62Å; D11-R13 PolarHBondContact OD2-NH2 3.41Å; R13-N15 PolarHBondContact O-N 2.85Å
14	P	30.6	Very low	31.6	Very low	112 Å²	112	143.2 Å²	143.2	73%	0.727	78%	0.777	S	S	*	*			trans	-61.7	140.5	-179.8	25.5	-34.2	0	0	0	111.2	I16	P14-I16 VanDerWaalsContact C-N 3.3Å; P14-I16 PolarHBondContact O-N 2.83Å
15	N	30.2	Very low	31.5	Very low	165 Å²	165	140.6 Å²	140.6	88%	0.882	77%	0.773	S	S	*	*			trans	-70.5	80.4	-177.2	-108.4	-45.1	0	0	0	111.7	R13 K17	R13-N15 PolarHBondContact O-N 2.85Å; N15-K17 VanDerWaalsContact C-N 3.35Å; N15-K17 PolarHBondContact O-N 2.93Å
16	I	29.6	Very low	31.5	Very low	147 Å²	147	141 Å²	141	75%	0.754	77%	0.774	S	S	*	*			trans	-66.8	93.7	172.7	-58.2	174.7	0	0	0	108.2	P14 R18	P14-I16 VanDerWaalsContact C-N 3.3Å; P14-I16 PolarHBondContact O-N 2.83Å; I16-R18 PolarHBondContact O-N 3.49Å
17	K	28.4	Very low	31.4	Very low	196 Å²	196	142.3 Å²	142.3	85%	0.852	77%	0.772	S	S	*	*			trans	-53.8	113.7	170.4	-71.6	-178	177.3	178.1	0	108.4	N15	N15-K17 VanDerWaalsContact C-N 3.35Å; N15-K17 PolarHBondContact O-N 2.93Å
18	R	28.3	Very low	31.3	Very low	230 Å²	230	145 Å²	145	87%	0.868	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-57.5	126.1	177.3	-68.1	-177.7	179.3	-178.8	0.5	108.7	I16 T20	I16-R18 PolarHBondContact O-N 3.49Å; R18-T20 PolarHBondContact O-N 3.3Å
19	P	28.4	Very low	31.1	Very low	124 Å²	124	146.8 Å²	146.8	81%	0.805	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-63.3	127.2	178.9	25.1	-33	0	0	0	109.8
20	T	29.8	Very low	31.2	Very low	139 Å²	139	145.6 Å²	145.6	85%	0.853	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-64.6	141.7	175	44.7	0	0	0	0	110.7	R18 K22	R18-T20 PolarHBondContact O-N 3.3Å; T20-K22 PolarHBondContact O-N 3.19Å
21	S	25.1	Very low	31.6	Very low	115 Å²	115	139.6 Å²	139.6	80%	0.804	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-64.7	123.2	-175.7	39.3	0	0	0	0	113.6
22	K	27.3	Very low	31.4	Very low	199 Å²	199	139.5 Å²	139.5	87%	0.865	76%	0.763	S	S	*	*			trans	-161.9	145.5	148.4	-104.3	156.4	-172.7	-177	0	109.3	T20	T20-K22 PolarHBondContact O-N 3.19Å
23	C	27.2	Very low	31.6	Very low	132 Å²	132	137.7 Å²	137.7	89%	0.892	75%	0.748	S	S	*	*			trans	55.7	79.5	170.4	-58.7	0	0	0	0	118.2
24	A	27.5	Very low	30.9	Very low	97 Å²	97	136 Å²	136	80%	0.802	75%	0.746	S	S	*	*			trans	-123.2	119	151.9	0	0	0	0	0	108.8
25	P	30.4	Very low	30.9	Very low	100 Å²	100	136.9 Å²	136.9	65%	0.649	74%	0.744	S	S	*	*			trans	-78.5	147.7	-171.6	30.1	-34.8	0	0	0	113	L27	P25-L27 VanDerWaalsContact C-N 3.29Å; P25-L27 PolarHBondContact O-N 3.15Å
26	P	31.1	Very low	31.1	Very low	128 Å²	128	137.3 Å²	137.3	83%	0.831	74%	0.738	S	S	*	*			trans	-80.6	60.8	-172.1	33.9	-37.8	0	0	0	114.1	L28	P26-L28 PolarHBondContact O-N 3.38Å
27	L	30.7	Very low	31.3	Very low	150 Å²	150	137 Å²	137	79%	0.785	73%	0.733	S	S	*	*			trans	-95.2	75.1	-179.6	-72.5	173.4	0	0	0	113.1	P25	P25-L27 VanDerWaalsContact C-N 3.29Å; P25-L27 PolarHBondContact O-N 3.15Å
28	L	32.3	Very low	31.3	Very low	143 Å²	143	134.4 Å²	134.4	75%	0.749	73%	0.728	S	S	*	*	S	Bend	trans	-164.5	-23.2	155.9	-113.3	159.3	0	0	0	116.1	P26	P26-L28 PolarHBondContact O-N 3.38Å
29	L	35.3	Very low	31.3	Very low	145 Å²	145	131.1 Å²	131.1	76%	0.759	73%	0.727	S	S	*	*	S	Bend	trans	-74.9	-37	-175.5	-113.6	74.6	0	0	0	114.6	V31 S32	L29-V31 PolarHBondContact O-N 3.28Å; L29-S32 WeakPolarHBondContact O-CB 3.42Å; L29-S32 PolarHBondContact O-N 3.12Å
30	D	36.8	Very low	31.2	Very low	86 Å²	86	130.4 Å²	130.4	46%	0.46	73%	0.725	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.3	-12.9	-171.1	-80.1	-23.8	0	0	0	114.9	S32 K33 K34	D30-S32 PolarHBondContact O-N 2.92Å; D30-K33 PolarHBondContact O-N 3.19Å; D30-K33 VanDerWaalsContact O-N 3.1Å; D30-K33 WeakPolarHBondContact OD1-CD 3.46Å; D30-K33 IonicContact OD1-NZ 2.86Å; D30-K33 PolarHBondContact OD1-NZ 2.93Å; D30-K34 PolarHBondContact O-N 2.93Å
31	V	34.9	Very low	30.9	Very low	92 Å²	92	127 Å²	127	56%	0.558	72%	0.717	S	S	*	*	H	α-helix	trans	-59.8	-37	170.6	-177.2	0	0	0	0	110.5	L29 K33 L35	L29-V31 PolarHBondContact O-N 3.28Å; V31-K33 VanDerWaalsContact C-N 3.32Å; V31-K33 PolarHBondContact O-N 3.23Å; V31-L35 HydrophobicContact CG1-CD1 4.09Å; V31-L35 WeakPolarHBondContact O-CB 3.41Å; V31-L35 WeakPolarHBondContact O-CG 3.18Å; V31-L35 PolarHBondContact O-N 2.8Å
32	S	37.5	Very low	31.1	Very low	81 Å²	81	130.8 Å²	130.8	57%	0.566	72%	0.722	S	S	*	*	H	α-helix	trans	-67.1	-28.9	176.7	-170.6	0	0	0	0	113.3	L29 D30	L29-S32 WeakPolarHBondContact O-CB 3.42Å; L29-S32 PolarHBondContact O-N 3.12Å; D30-S32 PolarHBondContact O-N 2.92Å
33	K	34.7	Very low	31.1	Very low	126 Å²	126	126.9 Å²	126.9	55%	0.548	72%	0.717	S	S	.	*	H	α-helix	trans	-81.6	-48	175.7	-67.3	-176.9	-163.9	145.5	0	112	D30 V31 L35 K36 Q37	D30-K33 PolarHBondContact O-N 3.19Å; D30-K33 VanDerWaalsContact O-N 3.1Å; D30-K33 WeakPolarHBondContact OD1-CD 3.46Å; D30-K33 IonicContact OD1-NZ 2.86Å; D30-K33 PolarHBondContact OD1-NZ 2.93Å; V31-K33 VanDerWaalsContact C-N 3.32Å; V31-K33 PolarHBondContact O-N 3.23Å; K33-L35 VanDerWaalsContact C-N 3.28Å; K33-L35 PolarHBondContact O-N 3.48Å; K33-K36 PolarHBondContact O-N 3.5Å; K33-Q37 PolarHBondContact O-N 2.79Å
34	K	32.2	Very low	31.1	Very low	149 Å²	149	126.2 Å²	126.2	65%	0.648	71%	0.714	S	S	*	*	H	α-helix	trans	-59.4	-37.9	-179.6	-73.4	-173.2	174.3	-177.1	0	112.2	D30 K36 Q37 N38	D30-K34 PolarHBondContact O-N 2.93Å; K34-K36 PolarHBondContact O-N 3.02Å; K34-K36 VanDerWaalsContact O-N 3.15Å; K34-Q37 PolarHBondContact O-N 3.39Å; K34-N38 PolarHBondContact O-N 3.13Å
35	L	31.8	Very low	30.9	Very low	131 Å²	131	130.1 Å²	130.1	69%	0.686	72%	0.715	S	S	*	*	H	α-helix	trans	-66	-10.2	174.1	-76	171.8	0	0	0	115.1	V31 K33	V31-L35 HydrophobicContact CG1-CD1 4.09Å; V31-L35 WeakPolarHBondContact O-CB 3.41Å; V31-L35 WeakPolarHBondContact O-CG 3.18Å; V31-L35 PolarHBondContact O-N 2.8Å; K33-L35 VanDerWaalsContact C-N 3.28Å; K33-L35 PolarHBondContact O-N 3.48Å
36	K	34.4	Very low	30.7	Very low	174 Å²	174	134.4 Å²	134.4	76%	0.757	72%	0.724	S	S	*	*	H	α-helix	trans	-98.7	-14.6	173.4	-76.4	-177.5	175.5	177.4	0	114.4	K33 K34	K33-K36 PolarHBondContact O-N 3.5Å; K34-K36 PolarHBondContact O-N 3.02Å; K34-K36 VanDerWaalsContact O-N 3.15Å
37	Q	33.6	Very low	30.3	Very low	141 Å²	141	136.9 Å²	136.9	66%	0.659	72%	0.724	S	S	*	*	H	α-helix	trans	-99.4	-29.9	-177.7	-71.7	179.8	-54.6	0	0	113.2	K33 K34 L39	K33-Q37 PolarHBondContact O-N 2.79Å; K34-Q37 PolarHBondContact O-N 3.39Å; Q37-L39 PolarHBondContact O-N 2.94Å
38	N	28.6	Very low	30.3	Very low	141 Å²	141	134.8 Å²	134.8	75%	0.754	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	32.2	-178	-67.6	15.2	0	0	0	114.2	K34	K34-N38 PolarHBondContact O-N 3.13Å
39	L	28	Very low	29.8	Very low	161 Å²	161	138.7 Å²	138.7	84%	0.843	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.9	37.5	178.6	-80.7	176	0	0	0	113.1	Q37	Q37-L39 PolarHBondContact O-N 2.94Å
40	S	25.5	Very low	29.1	Very low	109 Å²	109	142 Å²	142	76%	0.762	73%	0.734	S	S	*	*			trans	-137.7	100.7	167.8	55.1	0	0	0	0	110
41	G	24.5	Very low	28.6	Very low	67 Å²	67	142.4 Å²	142.4	69%	0.691	75%	0.748	S	S	*	*			trans	-134.3	130.7	178.5	0	0	0	0	0	111.4
42	H	28.7	Very low	28	Very low	194 Å²	194	144.4 Å²	144.4	90%	0.898	75%	0.749	S	S	*	*	S	Bend	trans	68.8	149.4	179.8	-60.8	-76	0	0	0	118.1
43	P	28	Very low	27.5	Very low	117 Å²	117	149.7 Å²	149.7	76%	0.76	76%	0.759	S	S	*	*			trans	-120.9	164.7	-150.7	40.1	-26.1	0	0	0	115
44	S	27.4	Very low	27.2	Very low	119 Å²	119	148.7 Å²	148.7	83%	0.832	77%	0.765	S	S	*	*			trans	-144.5	149.5	157.5	54.8	0	0	0	0	110.2
45	H	22.9	Very low	26.8	Very low	178 Å²	178	147.1 Å²	147.1	82%	0.824	77%	0.77	S	S	*	*			trans	-82.7	167.6	-171.2	-85.1	-111.5	0	0	0	114.1
46	K	26.2	Very low	26.4	Very low	191 Å²	191	151.1 Å²	151.1	83%	0.83	78%	0.782	S	S	*	*			trans	75.1	139.4	170.2	-52.3	-176.9	-178.3	-176.5	0	115.1
47	E	23.2	Very low	25.8	Very low	179 Å²	179	148.5 Å²	148.5	84%	0.836	78%	0.78	S	S	*	*			cis	-177.3	172.6	-26.5	-115.4	-168.4	139.9	0	0	105
48	P	29	Very low	25.3	Very low	107 Å²	107	148.2 Å²	148.2	70%	0.695	79%	0.788	S	S	*	*			trans	-96.7	153	-142.7	36.3	-38.6	0	0	0	117.2
49	F	23.6	Very low	24.9	Very low	225 Å²	225	145.6 Å²	145.6	99%	0.987	78%	0.781	S	S	*	*			trans	-112.4	144	153.7	-106.6	-94.6	0	0	0	110.7
50	R	19.3	Very low	24.6	Very low	215 Å²	215	147.3 Å²	147.3	81%	0.811	78%	0.781	S	S	*	*			trans	-132.8	109	-153.7	-176.2	-168.9	-168.8	-168.9	8.5	113.8
51	A	26.7	Very low	24.4	Very low	93 Å²	93	146.8 Å²	146.8	77%	0.769	78%	0.778	S	S	*	*			trans	-151.6	124.6	159.9	0	0	0	0	0	107.3
52	K	22.5	Very low	24.2	Very low	134 Å²	134	149.3 Å²	149.3	58%	0.583	79%	0.785	S	S	*	*				57.2	123.8	52.9	-63.2	-170	166.5	-156.9	0	110.8
53	Y	27.4	Very low	23.8	Very low	193 Å²	193	143.2 Å²	143.2	76%	0.757	77%	0.774	S	S	*	*			cis	-145.2	-171.4	24	-108.2	-43.4	0	0	0	112.7
54	P	28.2	Very low	23.4	Very low	105 Å²	105	146 Å²	146	68%	0.682	78%	0.775	S	S	*	*			trans	-106.1	169.7	-134.6	42.9	-38.3	0	0	0	117.5
55	P	24	Very low	23.1	Very low	116 Å²	116	147.2 Å²	147.2	75%	0.753	77%	0.767	S	S	*	*			trans	-81.3	164.8	167.2	35.5	-36.5	0	0	0	113.3
56	K	22.9	Very low	22.9	Very low	215 Å²	215	145.8 Å²	145.8	94%	0.935	77%	0.766	S	S	*	*			trans	-100.1	152.8	166.8	-83.9	-171.4	173.2	-176.4	0	111.9
57	V	20.6	Very low	22.8	Very low	119 Å²	119	144.7 Å²	144.7	72%	0.721	77%	0.769	S	S	*	*			trans	-128.2	137.1	-172.6	171.2	0	0	0	0	110.2
58	T	24.8	Very low	22.7	Very low	134 Å²	134	139.4 Å²	139.4	82%	0.822	76%	0.756	S	S	*	*			trans	-169	126.5	141	36.1	0	0	0	0	107.6
59	S	20.2	Very low	22.3	Very low	87 Å²	87	141.4 Å²	141.4	61%	0.608	76%	0.761	S	S	*	*			cis	94.2	108.5	19.5	83.7	0	0	0	0	115.9
60	K	21.5	Very low	22.1	Very low	196 Å²	196	139 Å²	139	85%	0.852	75%	0.749	S	S	*	*			trans	156.6	112	149.3	-90.8	171.9	-178.9	-174.6	0	108.2
61	S	21.3	Very low	22.2	Very low	99 Å²	99	134.8 Å²	134.8	69%	0.692	74%	0.743	S	S	*	*				85.8	143.6	67.7	71.7	0	0	0	0	112.5
62	S	19.3	Very low	21.9	Very low	119 Å²	119	138.3 Å²	138.3	83%	0.832	74%	0.743	S	S	*	*			cis	177.3	139.6	-16.9	47.2	0	0	0	0	108.3
63	G	21	Very low	21.8	Very low	66 Å²	66	136.3 Å²	136.3	68%	0.68	75%	0.746	S	S	*	*			trans	159.6	127.6	174.8	0	0	0	0	0	109.3
64	K	20	Very low	21.4	Very low	177 Å²	177	134.5 Å²	134.5	77%	0.77	75%	0.75	S	S	*	*				68.8	128.8	61.4	-72.5	-176.6	158.6	-76.5	0	111.7
65	E	19.6	Very low	21.2	Very low	143 Å²	143	138.2 Å²	138.2	67%	0.668	76%	0.758	S	S	*	*			cis	-148.1	-174.3	-0.7	-148.5	114.6	-138	0	0	110.9
66	N	19.6	Very low	20.9	Very low	149 Å²	149	137.1 Å²	137.1	80%	0.797	76%	0.759	S	S	*	*			trans	-70.4	153.6	178.4	-53.4	-55.8	0	0	0	111.8
67	D	24.6	Very low	20.8	Very low	168 Å²	168	135.3 Å²	135.3	90%	0.898	75%	0.751	S	S	*	*			trans	-144.6	155.2	137.2	-130.8	-31.3	0	0	0	110.6
68	A	19.7	Very low	20.6	Very low	67 Å²	67	138.3 Å²	138.3	55%	0.554	76%	0.757	S	S	*	*			trans	-140.4	170.5	-166.5	0	0	0	0	0	113
69	N	20.9	Very low	20.5	Very low	150 Å²	150	139.7 Å²	139.7	80%	0.802	76%	0.756	S	S	*	*			trans	73.6	156.3	177.5	-47.6	-68.5	0	0	0	113.3
70	K	20.4	Very low	20.4	Very low	173 Å²	173	140.2 Å²	140.2	75%	0.752	76%	0.759	S	S	*	*			cis	-164	172.8	9.7	-140.3	167.9	-171.6	177.8	0	109.9
71	L	21	Very low	20.3	Very low	127 Å²	127	139.8 Å²	139.8	67%	0.665	76%	0.76	S	S	*	*			trans	69.7	113.4	156.8	-61.8	164.5	0	0	0	116.7
72	Q	20.9	Very low	20.2	Very low	168 Å²	168	144.3 Å²	144.3	79%	0.785	77%	0.771	S	S	*	*				73.8	111.9	97	-75.3	-177.2	-15.2	0	0	113.2
73	S	19.8	Very low	20.3	Very low	91 Å²	91	146.4 Å²	146.4	64%	0.636	77%	0.767	S	S	*	*			cis	95.2	121.8	48.2	71	0	0	0	0	113.1
74	N	19.8	Very low	20.3	Very low	156 Å²	156	151.5 Å²	151.5	83%	0.834	78%	0.778	S	S	*	*			trans	48.5	109.8	160.6	-60.5	-4.7	0	0	0	118.7
75	Q	22.4	Very low	20.3	Very low	182 Å²	182	150 Å²	150	85%	0.85	78%	0.777	S	S	*	*				-156.2	145.5	112.7	-109.7	169.3	18.6	0	0	110.9
76	A	19	Very low	20.5	Very low	94 Å²	94	149.6 Å²	149.6	78%	0.777	78%	0.784	S	S	*	*			trans	-96.6	141.8	169.7	0	0	0	0	0	108.8
77	F	19.5	Very low	20.4	Very low	177 Å²	177	153.7 Å²	153.7	78%	0.776	79%	0.789	S	S	*	*			trans	-130	114.1	167.2	-105.2	-87.3	0	0	0	110.1
78	H	18.3	Very low	20.4	Very low	182 Å²	182	151.3 Å²	151.3	84%	0.843	79%	0.785	S	S	*	*			trans	-70.1	128.2	159.4	-104.1	-109.1	0	0	0	108.2
79	M	21.2	Very low	20.4	Very low	163 Å²	163	157.3 Å²	157.3	80%	0.803	80%	0.798	S	S	*	*			trans	-129.9	109.3	159.8	-83.8	-94.4	62.6	0	0	107.8
80	S	19.8	Very low	20.5	Very low	97 Å²	97	156 Å²	156	68%	0.678	80%	0.802	S	S	*	*			trans	-80.6	164.8	173.7	50	0	0	0	0	111.6
81	E	17.6	Very low	20.4	Very low	187 Å²	187	151 Å²	151	87%	0.874	80%	0.798	S	S	*	*			trans	-30.7	132.1	173.9	-56.7	169.1	132	0	0	115.7
82	Q	20.9	Very low	20.5	Very low	194 Å²	194	154 Å²	154	91%	0.907	81%	0.809	S	S	*	*			trans	-151	152.4	148.9	-119	173.3	43.1	0	0	112.7
83	H	20.7	Very low	20.4	Very low	164 Å²	164	152.5 Å²	152.5	76%	0.759	81%	0.811	S	S	*	*			trans	-64	147.6	-166	-66	-107.5	0	0	0	115
84	L	21.6	Very low	20.6	Very low	172 Å²	172	156.4 Å²	156.4	90%	0.901	82%	0.824	S	S	*	*			trans	-121.9	94.5	152.7	-103.6	166.3	0	0	0	110.6	V86	L84-V86 PolarHBondContact O-N 2.87Å
85	L	19.8	Very low	20.7	Very low	145 Å²	145	157.1 Å²	157.1	76%	0.759	82%	0.82	S	S	*	*			trans	-78.1	109	172.7	-85.6	151	0	0	0	110.3
86	V	23.3	Very low	20.7	Very low	135 Å²	135	155.1 Å²	155.1	82%	0.818	82%	0.815	S	S	*	*			trans	-87.7	107	166.9	179.6	0	0	0	0	109	L84	L84-V86 PolarHBondContact O-N 2.87Å
87	R	17.8	Very low	21.1	Very low	236 Å²	236	157.3 Å²	157.3	89%	0.891	82%	0.818	S	S	*	*			trans	-78.6	114.2	174	-74.8	173.5	164	168.4	-6.4	110.8
88	S	23.7	Very low	21.2	Very low	117 Å²	117	155.9 Å²	155.9	82%	0.818	82%	0.819	S	S	*	*			trans	-96.8	145.5	150.4	49.6	0	0	0	0	109.5
89	K	19.3	Very low	21.5	Very low	193 Å²	193	154.3 Å²	154.3	84%	0.839	82%	0.816	S	S	*	*			trans	-97	154.2	-177.9	-67.9	-179.8	178.7	178.6	0	110.9
90	S	22.8	Very low	21.6	Very low	124 Å²	124	156.3 Å²	156.3	87%	0.867	82%	0.821	S	S	*	*			trans	58.3	138.4	167.3	46	0	0	0	0	116.9
91	G	19.2	Very low	21.9	Very low	66 Å²	66	156.9 Å²	156.9	68%	0.68	82%	0.823	S	S	*	*			cis	126.5	77	-0.3	0	0	0	0	0	112.5
92	H	22.5	Very low	22.3	Very low	191 Å²	191	156.4 Å²	156.4	88%	0.884	83%	0.825	S	S	*	*			trans	-148.9	129.4	156	-105.6	-78	0	0	0	108.8
93	T	20.4	Very low	22.4	Very low	137 Å²	137	154 Å²	154	84%	0.84	82%	0.819	S	S	*	*			trans	-82.3	122.8	171.7	47.9	0	0	0	0	109.5
94	L	23.7	Very low	22.6	Very low	173 Å²	173	151.8 Å²	151.8	91%	0.906	82%	0.821	S	S	*	*			trans	-121.7	130.6	161.7	-100.1	160.6	0	0	0	108.1
95	K	21.5	Very low	22.7	Very low	170 Å²	170	151.9 Å²	151.9	74%	0.739	82%	0.822	S	S	*	*			trans	-93.4	162.3	179.7	-80.2	-170.5	173.2	-170.6	0	110.7
96	D	22.8	Very low	22.7	Very low	141 Å²	141	154.3 Å²	154.3	75%	0.754	83%	0.826	S	S	*	*			trans	49	88.7	148.6	-46.5	-21.2	0	0	0	116.9
97	V	26.3	Very low	22.7	Very low	140 Å²	140	154.9 Å²	154.9	85%	0.848	83%	0.83	S	S	*	*			trans	-129.4	64.1	156	-168.9	0	0	0	0	109.2
98	D	22.6	Very low	23.4	Very low	146 Å²	146	149 Å²	149	78%	0.781	82%	0.822	S	S	*	*			trans	-83.8	164.9	157.9	-95.8	-46.3	0	0	0	110.2
99	N	24.5	Very low	23.2	Very low	149 Å²	149	148.4 Å²	148.4	80%	0.797	82%	0.818	S	S	*	*			trans	72.3	87.5	-179.5	-52.7	-57.5	0	0	0	116.3	P101	N99-P101 WeakPolarHBondContact O-CD 3.45Å
100	F	23.4	Very low	23.4	Very low	205 Å²	205	146.6 Å²	146.6	90%	0.899	82%	0.817	S	S	*	*			trans	-96.8	99.8	144.5	-119.1	-86	0	0	0	108.2
101	P	24.8	Very low	23.3	Very low	110 Å²	110	146.7 Å²	146.7	71%	0.714	81%	0.812	S	S	*	*			trans	-79	140.4	-178.1	31.8	-34.3	0	0	0	111.2	N99	N99-P101 WeakPolarHBondContact O-CD 3.45Å
102	L	26.2	Very low	23.4	Very low	177 Å²	177	147.9 Å²	147.9	93%	0.927	82%	0.816	S	S	*	*			trans	-137.2	55	179.5	-118	168.9	0	0	0	111.1
103	D	23.3	Very low	23.3	Very low	144 Å²	144	143.5 Å²	143.5	77%	0.77	81%	0.807	S	S	*	*			trans	-131.8	89.3	-178.7	-153.2	-2.8	0	0	0	109
104	S	24.5	Very low	23.3	Very low	117 Å²	117	147.8 Å²	147.8	82%	0.818	81%	0.809	S	S	*	*			trans	-155.8	46.2	-169.7	-72.1	0	0	0	0	114
105	L	24.2	Very low	23.2	Very low	173 Å²	173	148.1 Å²	148.1	91%	0.906	81%	0.806	S	S	*	*			trans	-133	85.1	163	-77.4	177.9	0	0	0	110.7
106	K	19.4	Very low	23.1	Very low	196 Å²	196	147.7 Å²	147.7	85%	0.852	81%	0.812	S	S	*	*			trans	-133.8	114	169.6	-84.4	-177.6	176.7	170.8	0	110.5
107	V	24.7	Very low	23.1	Very low	148 Å²	148	146.6 Å²	146.6	90%	0.897	82%	0.815	S	S	*	*			trans	-137.3	140.5	160.8	178.2	0	0	0	0	106.5
108	P	31.4	Very low	22.6	Very low	111 Å²	111	151.8 Å²	151.8	72%	0.721	82%	0.819	S	S	*	*			trans	-117.6	175.1	-147.4	42.7	-34.3	0	0	0	115.2
109	S	19.9	Very low	22.7	Very low	106 Å²	106	150.6 Å²	150.6	74%	0.741	82%	0.823	S	S	*	*				171.8	167.2	112.1	50	0	0	0	0	114.4
110	L	23	Very low	22.3	Very low	154 Å²	154	152.7 Å²	152.7	81%	0.806	83%	0.828	S	S	*	*			trans	87.8	95.7	164.8	-60.5	163	0	0	0	119.7
111	T	21.6	Very low	22.2	Very low	127 Å²	127	148.9 Å²	148.9	78%	0.779	83%	0.825	S	S	*	*				26.4	140.3	124.3	54.9	0	0	0	0	120.8
112	A	21.5	Very low	21.9	Very low	91 Å²	91	150.4 Å²	150.4	75%	0.752	83%	0.827	S	S	*	*			cis	-170.1	-152	-9.5	0	0	0	0	0	107.4
113	S	20.6	Very low	21.6	Very low	99 Å²	99	148.1 Å²	148.1	69%	0.692	82%	0.821	S	S	*	*			cis	-171.4	132.5	-3.4	37.4	0	0	0	0	110.5
114	Y	19.8	Very low	21.5	Very low	227 Å²	227	149.9 Å²	149.9	89%	0.89	83%	0.829	S	S	*	*			trans	61.4	153.6	170.6	-74.4	-91.9	0	0	0	116.6
115	Q	22.2	Very low	21.2	Very low	179 Å²	179	153.8 Å²	153.8	84%	0.836	83%	0.831	S	S	*	*			cis	-153.2	174.6	25.8	-145.5	167.3	37.6	0	0	112.6
116	N	18.3	Very low	21	Very low	161 Å²	161	155 Å²	155	86%	0.861	83%	0.833	S	S	*	*			trans	-119.9	138.3	-177.1	-81.8	-49.9	0	0	0	113.9
117	S	22.1	Very low	21	Very low	118 Å²	118	154.6 Å²	154.6	83%	0.825	83%	0.834	S	S	*	*			trans	-166	137.3	150.3	52	0	0	0	0	108.3
118	R	17.7	Very low	20.8	Very low	249 Å²	249	153.4 Å²	153.4	94%	0.94	83%	0.832	S	S	*	*			cis	88	85.4	10.7	-141.2	-170.5	-159.3	-159.4	6.7	116.7
119	S	22.8	Very low	20.1	Very low	122 Å²	122	157.8 Å²	157.8	85%	0.853	84%	0.84	S	S	*	*			trans	-160	160.8	145.1	58.3	0	0	0	0	111.1
120	Q	17.4	Very low	20.2	Very low	192 Å²	192	158.7 Å²	158.7	90%	0.897	85%	0.845	S	S	*	*			trans	-140.1	144.7	177.8	-61.6	168.6	-75	0	0	108.1
121	C	20	Very low	20	Very low	126 Å²	126	160 Å²	160	85%	0.851	85%	0.847	S	S	*	*			trans	-163.8	117.5	158.2	-124.7	0	0	0	0	115.5
122	N	19.7	Very low	19.9	Very low	142 Å²	142	159 Å²	159	76%	0.759	85%	0.845	S	S	*	*			trans	13.9	118.8	145.4	-62.6	-0.8	0	0	0	122.8
123	T	19.3	Very low	19.9	Very low	129 Å²	129	160.9 Å²	160.9	79%	0.791	85%	0.846	S	S	*	*				27.9	124.8	124	61	0	0	0	0	121.8
124	L	21.4	Very low	20	Very low	181 Å²	181	162.7 Å²	162.7	95%	0.948	85%	0.854	S	S	*	*			trans	-137.5	164.3	139.2	-91.1	176.2	0	0	0	109.9
125	K	18.8	Very low	20.1	Very low	198 Å²	198	155.6 Å²	155.6	86%	0.861	85%	0.85	S	S	*	*			trans	-115.7	143.7	173.8	-61.9	175.9	178.4	179	0	109.3
126	E	20.1	Very low	19.9	Very low	200 Å²	200	152.9 Å²	152.9	94%	0.935	85%	0.85	S	S	*	*			trans	-166.9	172.5	143.8	-116.6	161.7	-147.9	0	0	111.1
127	E	18.2	Very low	20.2	Very low	187 Å²	187	151.2 Å²	151.2	87%	0.874	85%	0.846	S	S	*	*			trans	-109.1	142.2	-164.1	-55.3	179	143.4	0	0	112.8
128	S	21	Very low	20.2	Very low	123 Å²	123	150.5 Å²	150.5	86%	0.86	84%	0.841	S	S	*	*			trans	179.9	162.5	144.6	35	0	0	0	0	112.7
129	F	17.5	Very low	20.4	Very low	203 Å²	203	146.8 Å²	146.8	89%	0.89	84%	0.838	S	S	*	*			trans	-79.3	138.4	-178.3	-81.2	-122.6	0	0	0	112.7
130	C	20.9	Very low	20.4	Very low	124 Å²	124	148.5 Å²	148.5	84%	0.838	83%	0.832	S	S	*	*				-173.8	159.2	111.4	-107.4	0	0	0	0	113.1
131	H	19.2	Very low	20.7	Very low	183 Å²	183	144 Å²	144	85%	0.847	82%	0.822	S	S	*	*			trans	-69.3	138.4	171.9	-62	-87.2	0	0	0	109.8
132	S	20.5	Very low	20.8	Very low	106 Å²	106	144.6 Å²	144.6	74%	0.741	82%	0.817	S	S	*	*				171	164.9	71.4	55.6	0	0	0	0	111.7
133	V	21.3	Very low	21	Very low	129 Å²	129	145.1 Å²	145.1	78%	0.782	82%	0.818	S	S	*	*			trans	45.9	99.9	164.1	-165.8	0	0	0	0	118.7
134	T	22.1	Very low	21.2	Very low	138 Å²	138	145.9 Å²	145.9	85%	0.847	82%	0.816	S	S	*	*				-175.6	72.7	123.5	21.7	0	0	0	0	111.4	S136	T134-S136 PolarHBondContact O-N 2.82Å
135	G	21.1	Very low	21.1	Very low	78 Å²	78	145.8 Å²	145.8	80%	0.804	81%	0.808	S	S	*	*			trans	-81.7	103.4	170.9	0	0	0	0	0	111.2
136	S	19.2	Very low	21.4	Very low	122 Å²	122	141.7 Å²	141.7	85%	0.853	80%	0.801	S	S	*	*			trans	-80.9	117.8	176.2	46.9	0	0	0	0	111.5	T134	T134-S136 PolarHBondContact O-N 2.82Å
137	T	23.4	Very low	21.5	Very low	126 Å²	126	143.2 Å²	143.2	77%	0.773	80%	0.798	S	S	*	*			trans	-128.2	111.3	172.2	50.1	0	0	0	0	111
138	S	23.4	Very low	21.7	Very low	103 Å²	103	142 Å²	142	72%	0.72	80%	0.796	S	S	*	*			trans	15	111.7	160.2	47.2	0	0	0	0	118	H140	S138-H140 PolarHBondContact O-N 2.88Å
139	I	21.7	Very low	22	Very low	170 Å²	170	141.2 Å²	141.2	87%	0.872	79%	0.786	S	S	*	*			trans	-71.2	78.8	167.3	-53.2	173	0	0	0	109.4	S141	I139-S141 PolarHBondContact O-N 3.12Å
140	H	22.7	Very low	22.4	Very low	159 Å²	159	141.6 Å²	141.6	74%	0.736	79%	0.788	S	S	*	*			trans	-78.1	103.5	156.1	-95.9	-74.5	0	0	0	108.2	S138 N142	S138-H140 PolarHBondContact O-N 2.88Å; H140-N142 PolarHBondContact O-N 2.86Å
141	S	23.3	Very low	22.8	Very low	98 Å²	98	141.6 Å²	141.6	69%	0.685	79%	0.787	S	S	*	*			trans	-68.8	67.8	173.2	44.7	0	0	0	0	111.1	I139 I143	I139-S141 PolarHBondContact O-N 3.12Å; S141-I143 VanDerWaalsContact C-N 3.26Å; S141-I143 PolarHBondContact O-N 3.38Å
142	N	23.2	Very low	23.2	Very low	137 Å²	137	136 Å²	136	73%	0.733	78%	0.779	S	S	*	*			trans	-60.7	93.8	162	-86.8	-38.5	0	0	0	107.9	H140 I144	H140-N142 PolarHBondContact O-N 2.86Å; N142-I144 PolarHBondContact O-N 3.34Å
143	I	23.4	Very low	23.7	Very low	154 Å²	154	135.7 Å²	135.7	79%	0.79	78%	0.777	S	S	*	*			trans	-67.2	86.3	169.6	-59.8	175.6	0	0	0	106.3	S141 K145	S141-I143 VanDerWaalsContact C-N 3.26Å; S141-I143 PolarHBondContact O-N 3.38Å; I143-K145 VanDerWaalsContact C-N 3.31Å; I143-K145 PolarHBondContact O-N 3.37Å
144	I	23	Very low	24.5	Very low	144 Å²	144	133.9 Å²	133.9	74%	0.738	76%	0.763	S	S	*	*			trans	-62.4	98	174.2	-64.4	171.2	0	0	0	106.2	N142 P146	N142-I144 PolarHBondContact O-N 3.34Å; I144-P146 VanDerWaalsContact O-N 3.13Å
145	K	20.3	Very low	24.9	Very low	180 Å²	180	134.7 Å²	134.7	78%	0.783	76%	0.761	S	S	*	*			trans	-48.2	123.4	168.4	-69.4	-178.4	178.3	178.6	0	106.7	I143 R147	I143-K145 VanDerWaalsContact C-N 3.31Å; I143-K145 PolarHBondContact O-N 3.37Å; K145-R147 PolarHBondContact O-N 3.41Å
146	P	23.2	Very low	25.2	Very low	111 Å²	111	134.1 Å²	134.1	72%	0.721	76%	0.755	S	S	*	*			trans	-56.1	128.5	-171.5	21.1	-32.6	0	0	0	108.7	I144 I148	I144-P146 VanDerWaalsContact O-N 3.13Å; P146-I148 VanDerWaalsContact C-N 3.34Å; P146-I148 PolarHBondContact O-N 3.1Å
147	R	22.3	Very low	25.4	Very low	232 Å²	232	139.9 Å²	139.9	88%	0.875	76%	0.758	S	S	*	*			trans	-62.5	100.2	174.7	-82.3	-178.7	169.6	168.9	-2.8	107.3	K145 T149	K145-R147 PolarHBondContact O-N 3.41Å; R147-T149 PolarHBondContact O-N 2.96Å
148	I	23.7	Very low	25.5	Very low	161 Å²	161	138.9 Å²	138.9	83%	0.826	76%	0.756	S	S	*	*			trans	-65	88.3	172.5	-56.4	177.6	0	0	0	107	P146 K150	P146-I148 VanDerWaalsContact C-N 3.34Å; P146-I148 PolarHBondContact O-N 3.1Å; I148-K150 PolarHBondContact O-N 3.05Å
149	T	28	Very low	25.5	Very low	107 Å²	107	141.6 Å²	141.6	66%	0.656	76%	0.762	S	S	*	*			trans	-63.1	130.3	168.1	44	0	0	0	0	107.2	R147 C151	R147-T149 PolarHBondContact O-N 2.96Å; T149-C151 PolarHBondContact O-N 2.81Å
150	K	25.2	Very low	25.7	Very low	212 Å²	212	139.4 Å²	139.4	92%	0.922	76%	0.756	S	S	*	*			trans	-65.3	99.1	173.1	-78.4	-176.8	173.2	179.1	0	108.3	I148	I148-K150 PolarHBondContact O-N 3.05Å
151	C	29.9	Very low	25.6	Very low	123 Å²	123	137.9 Å²	137.9	83%	0.831	75%	0.754	S	S	*	*			trans	-58.4	143.3	-175.7	-67.7	0	0	0	0	112.2	T149	T149-C151 PolarHBondContact O-N 2.81Å
152	G	27.2	Very low	25.6	Very low	66 Å²	66	140.6 Å²	140.6	68%	0.68	76%	0.756	S	S	*	*			trans	116.1	10.2	148.5	0	0	0	0	0	119.2
153	S	29.6	Very low	25.5	Very low	99 Å²	99	140.1 Å²	140.1	69%	0.692	76%	0.757	S	S	*	*			trans	-114.1	96.7	157.7	66.6	0	0	0	0	110.2	L155	S153-L155 PolarHBondContact O-N 3.22Å
154	L	39	Very low	25.5	Very low	91 Å²	91	140.6 Å²	140.6	48%	0.476	76%	0.762	S	S	.	*			trans	-70	4.2	179.8	-72.3	166.7	0	0	0	114.1	G156 Y332 L852	L154-G156 VanDerWaalsContact C-N 3.34Å; L154-G156 PolarHBondContact O-N 3.49Å; L154-Y332 HydrophobicContact CD2-CE1 4.22Å; L154-L852 HydrophobicContact CB-CD1 4.12Å; L154-L852 HydrophobicContact CD1-CD1 4.28Å; L154-L852 HydrophobicContact CD2-CD1 4.16Å; L154-L852 HydrophobicContact CG-CD1 4.42Å
155	L	30.3	Very low	25.4	Very low	155 Å²	155	139.2 Å²	139.2	81%	0.812	76%	0.76	S	S	*	*			trans	-76.1	85.1	170.9	-63.4	176.7	0	0	0	109.7	S153	S153-L155 PolarHBondContact O-N 3.22Å
156	G	27.3	Very low	25.4	Very low	66 Å²	66	135.7 Å²	135.7	68%	0.68	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-54.8	151.8	158.7	0	0	0	0	0	110.5	L154	L154-G156 VanDerWaalsContact C-N 3.34Å; L154-G156 PolarHBondContact O-N 3.49Å
157	R	24.8	Very low	25.4	Very low	244 Å²	244	137.5 Å²	137.5	92%	0.921	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-58.3	151.2	177.8	-74.5	-179.9	171.9	176.8	-4.1	110.9	L159	R157-L159 PolarHBondContact O-N 2.66Å
158	S	25.3	Very low	25.2	Very low	104 Å²	104	134.8 Å²	134.8	73%	0.727	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-48.6	130.2	175.4	-174.3	0	0	0	0	111.4	T160	S158-T160 PolarHBondContact O-N 2.85Å; S158-T160 VanDerWaalsContact O-N 3.12Å
159	L	23.2	Very low	25.1	Very low	160 Å²	160	131.6 Å²	131.6	84%	0.838	76%	0.761	S	S	*	*			trans	-81.5	84.8	175.7	-76.6	163.4	0	0	0	109.9	R157	R157-L159 PolarHBondContact O-N 2.66Å
160	T	25.7	Very low	24.7	Very low	124 Å²	124	132.9 Å²	132.9	76%	0.761	77%	0.768	S	S	*	*			trans	-128.3	94.9	158	50.2	0	0	0	0	106.5	S158	S158-T160 PolarHBondContact O-N 2.85Å; S158-T160 VanDerWaalsContact O-N 3.12Å
161	N	20.7	Very low	24.4	Very low	128 Å²	128	130.2 Å²	130.2	68%	0.684	76%	0.764	S	S	*	*			trans	-108.4	164.5	-177.9	-133.1	61	0	0	0	108.6
162	E	22.8	Very low	24.1	Very low	154 Å²	154	130 Å²	130	72%	0.72	76%	0.761	S	S	*	*			trans	59.6	112	-173	-70.6	99.5	-97	0	0	114.4
163	V	21.8	Very low	23.9	Very low	127 Å²	127	132.3 Å²	132.3	77%	0.77	76%	0.764	S	S	*	*				71.8	96.1	62.3	179.3	0	0	0	0	111.4
164	D	23.2	Very low	23.4	Very low	165 Å²	165	133.8 Å²	133.8	88%	0.882	77%	0.768	S	S	*	*			trans	-132	136.7	141.3	-112.7	-37.7	0	0	0	108.3
165	T	19.7	Very low	22.5	Very low	115 Å²	115	136.2 Å²	136.2	71%	0.706	78%	0.78	S	S	*	*			trans	-110	152.8	179.9	45.7	0	0	0	0	110.3
166	S	21.3	Very low	21.8	Very low	106 Å²	106	135.3 Å²	135.3	74%	0.741	78%	0.776	S	S	*	*			trans	68.4	132.7	-165.6	79.7	0	0	0	0	112.8
167	N	22.2	Very low	21.5	Very low	149 Å²	149	141.4 Å²	141.4	80%	0.797	78%	0.784	S	S	*	*			cis	-131.8	155.8	34.1	-80	-68.4	0	0	0	114.9
168	I	18.5	Very low	21.2	Very low	175 Å²	175	136.8 Å²	136.8	90%	0.897	78%	0.778	S	S	*	*			trans	-93.2	109.2	168.1	-62.9	171.6	0	0	0	107.6
169	A	21.4	Very low	20.9	Very low	94 Å²	94	136.7 Å²	136.7	78%	0.777	78%	0.777	S	S	*	*			trans	-140	114.5	174.7	0	0	0	0	0	111.5
170	V	19.8	Very low	20.8	Very low	133 Å²	133	135.5 Å²	135.5	81%	0.806	78%	0.777	S	S	*	*			trans	-48.6	147.1	-179.1	177.1	0	0	0	0	114.6	P172	V170-P172 WeakPolarHBondContact O-CD 3.3Å
171	N	19.3	Very low	20.5	Very low	157 Å²	157	136.9 Å²	136.9	84%	0.84	78%	0.78	S	S	*	*			trans	-57.5	139.2	173.1	-56.6	-55.8	0	0	0	113.6
172	P	23	Very low	20.6	Very low	119 Å²	119	137.3 Å²	137.3	77%	0.773	79%	0.787	S	S	*	*			trans	-104	164.7	141.3	-7.4	28	0	0	0	111.7	V170	V170-P172 WeakPolarHBondContact O-CD 3.3Å
173	P	23.4	Very low	20.4	Very low	114 Å²	114	136.6 Å²	136.6	74%	0.74	79%	0.788	S	S	*	*			trans	-101.7	172.8	-157.6	39.1	-37.6	0	0	0	116.3
174	V	18.2	Very low	20.5	Very low	129 Å²	129	137.8 Å²	137.8	78%	0.782	79%	0.79	S	S	*	*			trans	-52	132.6	163.2	176.3	0	0	0	0	111.5
175	I	19.8	Very low	20.3	Very low	143 Å²	143	135.4 Å²	135.4	73%	0.733	78%	0.781	S	S	*	*			trans	-131.9	127.2	160.6	-63	-178.3	0	0	0	108.4	F177	I175-F177 HydrophobicContact CG2-CD2 4.47Å
176	N	17.5	Very low	20.6	Very low	136 Å²	136	137.5 Å²	137.5	73%	0.727	79%	0.787	S	S	*	*			trans	-93.7	131.4	167.9	-67.5	-27	0	0	0	109.4
177	F	20.4	Very low	20.5	Very low	194 Å²	194	139.5 Å²	139.5	85%	0.851	79%	0.789	S	S	*	*			trans	-155.4	122.1	142.7	-85.3	-69.8	0	0	0	104.9	I175	I175-F177 HydrophobicContact CG2-CD2 4.47Å
178	D	17.5	Very low	20.5	Very low	147 Å²	147	137.1 Å²	137.1	79%	0.786	78%	0.784	S	S	*	*			cis	71	124.2	45.3	-116.5	-19.1	0	0	0	115.2
179	S	19.5	Very low	20.7	Very low	101 Å²	101	137.6 Å²	137.6	71%	0.706	79%	0.788	S	S	*	*			trans	50.5	108.8	168.3	62.3	0	0	0	0	121.5
180	T	20.7	Very low	20.8	Very low	136 Å²	136	141.7 Å²	141.7	83%	0.834	79%	0.791	S	S	*	*				-178.6	122.2	117.5	37.2	0	0	0	0	106.7
181	N	19.1	Very low	20.8	Very low	153 Å²	153	140.7 Å²	140.7	82%	0.818	79%	0.785	S	S	*	*			cis	72.1	80.2	41.4	-134.6	30.7	0	0	0	113.7
182	T	23.7	Very low	20.8	Very low	136 Å²	136	139 Å²	139	83%	0.834	78%	0.782	S	S	*	*			trans	-134.5	118.5	163.3	50.2	0	0	0	0	110
183	N	18.3	Very low	20.7	Very low	140 Å²	140	139.4 Å²	139.4	75%	0.749	78%	0.778	S	S	*	*			trans	-82.9	152	169.3	-70.1	-45.9	0	0	0	110.7
184	N	24.2	Very low	20.7	Very low	152 Å²	152	139.4 Å²	139.4	81%	0.813	78%	0.776	S	S	*	*			trans	176.8	109	141.5	-86.8	-24.3	0	0	0	107
185	T	19.7	Very low	20.8	Very low	114 Å²	114	140.9 Å²	140.9	70%	0.699	77%	0.774	S	S	*	*				45.2	102.5	74.1	58.9	0	0	0	0	116.4
186	I	24.3	Very low	20.8	Very low	160 Å²	160	143.3 Å²	143.3	82%	0.821	78%	0.78	S	S	*	*			trans	-173.2	105.7	130.8	-89.5	147.9	0	0	0	104.6
187	N	20.9	Very low	20.9	Very low	147 Å²	147	141.9 Å²	141.9	79%	0.786	78%	0.776	S	S	*	*				75.8	134.2	75.8	-92.4	4.4	0	0	0	116.4
188	S	21.4	Very low	21.1	Very low	100 Å²	100	140 Å²	140	70%	0.699	78%	0.775	S	S	*	*			trans	53.9	109.2	157	53.2	0	0	0	0	120.1
189	L	23.8	Very low	21.2	Very low	184 Å²	184	139.6 Å²	139.6	96%	0.963	77%	0.773	S	S	*	*				-136.4	152.9	119.2	-140.2	82.3	0	0	0	108.8
190	E	21.6	Very low	21.4	Very low	180 Å²	180	141.7 Å²	141.7	84%	0.841	77%	0.774	S	S	*	*			trans	-100.2	170.7	-154.4	-64.4	177.1	124	0	0	115.8
191	T	20	Very low	21.4	Very low	112 Å²	112	145.8 Å²	145.8	69%	0.687	77%	0.774	S	S	*	*			trans	-62.2	161.3	176.2	51.5	0	0	0	0	113.5
192	P	21	Very low	21.5	Very low	121 Å²	121	147.7 Å²	147.7	79%	0.786	78%	0.779	S	S	*	*				-126.9	110.8	111.6	34.2	-29.6	0	0	0	113
193	D	20.4	Very low	21.6	Very low	128 Å²	128	147.5 Å²	147.5	68%	0.684	78%	0.777	S	S	*	*			trans	-77	121.5	163.7	-92.7	-51	0	0	0	109.7
194	V	22.7	Very low	21.7	Very low	115 Å²	115	149 Å²	149	70%	0.697	79%	0.785	S	S	*	*			trans	-106.5	82.1	171.8	-177.7	0	0	0	0	108.6	F196	V194-F196 HydrophobicContact CG1-CD2 3.93Å; V194-F196 HydrophobicContact CG1-CE2 4.22Å; V194-F196 PolarHBondContact O-N 2.75Å
195	Q	19.8	Very low	21.7	Very low	159 Å²	159	145.6 Å²	145.6	74%	0.743	78%	0.778	S	S	*	*			trans	-77.3	101.6	171.9	-66.2	-173.4	6.8	0	0	110.2
196	F	21.3	Very low	21.8	Very low	194 Å²	194	143.8 Å²	143.8	85%	0.851	78%	0.782	S	S	*	*			trans	-93.7	92.3	159.2	-96.5	-78.2	0	0	0	109.7	V194	V194-F196 HydrophobicContact CG1-CD2 3.93Å; V194-F196 HydrophobicContact CG1-CE2 4.22Å; V194-F196 PolarHBondContact O-N 2.75Å
197	V	19.4	Very low	21.8	Very low	106 Å²	106	144.3 Å²	144.3	64%	0.642	78%	0.78	S	S	*	*			trans	-82.7	124.3	161.2	177	0	0	0	0	107.9
198	N	24	Very low	22	Very low	154 Å²	154	144.5 Å²	144.5	82%	0.824	78%	0.78	S	S	*	*			trans	-163.2	119.7	147.3	-101.8	-30.6	0	0	0	108.7
199	D	20.2	Very low	22.1	Very low	140 Å²	140	145.2 Å²	145.2	75%	0.749	78%	0.78	S	S	*	*			trans	-63.3	158	161.7	-60.5	-75.2	0	0	0	110.3
200	I	23.4	Very low	22.2	Very low	144 Å²	144	142.5 Å²	142.5	74%	0.738	77%	0.773	S	S	*	*				179.7	118.6	121.6	-93.5	157.4	0	0	0	111
201	R	21.1	Very low	22.1	Very low	222 Å²	222	139.4 Å²	139.4	84%	0.838	77%	0.767	S	S	*	*			trans	55.5	111.7	150.4	-63.2	174.8	-172.4	166.7	3.3	119.3
202	E	20.6	Very low	22.3	Very low	194 Å²	194	145.7 Å²	145.7	91%	0.907	78%	0.778	S	S	*	*			trans	-50.1	143.3	143.4	-60	167.6	125.7	0	0	110.8
203	V	25.1	Very low	22.8	Very low	131 Å²	131	144.9 Å²	144.9	79%	0.794	77%	0.772	S	S	*	*			trans	-132.5	101.7	166.3	179.4	0	0	0	0	108.4	A205	V203-A205 PolarHBondContact O-N 3.43Å
204	D	20.8	Very low	23	Very low	172 Å²	172	145.1 Å²	145.1	92%	0.92	78%	0.778	S	S	*	*			trans	-73.6	117.9	167.8	-99	-39.4	0	0	0	110.2
205	A	25.1	Very low	23.1	Very low	80 Å²	80	147.5 Å²	147.5	66%	0.661	78%	0.782	S	S	*	*			trans	-158.6	106.6	160.6	0	0	0	0	0	110.2	V203	V203-A205 PolarHBondContact O-N 3.43Å
206	G	20.5	Very low	23.3	Very low	76 Å²	76	147.5 Å²	147.5	78%	0.784	79%	0.787	S	S	*	*			trans	-89.6	120	175.6	0	0	0	0	0	112.2
207	H	25.2	Very low	23.8	Very low	171 Å²	171	145 Å²	145	79%	0.792	79%	0.787	S	S	*	*			trans	-119.8	105.5	168.6	-87.6	-67.9	0	0	0	113.4
208	I	24.3	Very low	24	Very low	152 Å²	152	147.6 Å²	147.6	78%	0.779	80%	0.797	S	S	*	*			trans	21.5	130.4	137.4	-60.6	169.2	0	0	0	118.1
209	V	23.8	Very low	24.3	Very low	115 Å²	115	148.3 Å²	148.3	70%	0.697	80%	0.801	S	S	*	*			trans	-61	129.3	176.1	179.5	0	0	0	0	112.3	T211	V209-T211 HydrophobicContact CG1-CG2 4.18Å; V209-T211 PolarHBondContact O-N 2.77Å
210	P	25.6	Very low	24.5	Very low	126 Å²	126	149.2 Å²	149.2	82%	0.818	80%	0.803	S	S	*	*			trans	-76.2	119.9	168.8	30.2	-32.5	0	0	0	111
211	T	20.3	Very low	24.7	Very low	116 Å²	116	148 Å²	148	71%	0.712	81%	0.806	S	S	*	*			trans	-118.7	107.6	172.7	53.9	0	0	0	0	110.9	V209	V209-T211 HydrophobicContact CG1-CG2 4.18Å; V209-T211 PolarHBondContact O-N 2.77Å
212	R	22.9	Very low	24.9	Very low	244 Å²	244	142.2 Å²	142.2	92%	0.921	80%	0.795	S	S	*	*			trans	168.5	162.6	157.5	-100	163.7	-172.9	-160.6	2.6	110.2
213	P	31.8	Very low	25.5	Very low	103 Å²	103	137.9 Å²	137.9	67%	0.669	79%	0.786	S	S	*	*			cis	-117.2	-179.6	-30.8	36	-21.7	0	0	0	111.2
214	V	24.7	Very low	25.5	Very low	134 Å²	134	139 Å²	139	81%	0.812	79%	0.787	S	S	*	*			trans	-100	132.4	159.6	175.8	0	0	0	0	106.4
215	E	26.1	Very low	26.1	Very low	165 Å²	165	142 Å²	142	77%	0.771	79%	0.786	S	S	*	*			trans	-106.1	128.4	171.2	-69.3	-173.7	147.6	0	0	109.7
216	D	23.5	Very low	26.3	Very low	158 Å²	158	146.7 Å²	146.7	85%	0.845	80%	0.799	S	S	*	*			trans	-76	127.5	175.4	-70.5	-62.8	0	0	0	110.5
217	T	31.3	Very low	26.7	Very low	141 Å²	141	154.5 Å²	154.5	87%	0.865	81%	0.805	S	S	*	*			trans	-124.4	115.2	161.8	31.1	0	0	0	0	110
218	L	24.7	Very low	27.1	Very low	162 Å²	162	150.9 Å²	150.9	85%	0.848	80%	0.798	S	S	*	*			trans	-66	136.8	177.3	-67.7	158.8	0	0	0	110.3
219	N	30.2	Very low	27.4	Very low	169 Å²	169	151.8 Å²	151.8	90%	0.904	81%	0.805	S	S	*	*			trans	-149.8	118.7	149.5	-111.7	-44.7	0	0	0	110
220	M	24.3	Very low	27.9	Very low	159 Å²	159	157 Å²	157	78%	0.783	81%	0.812	S	S	*	*			trans	-87.2	138.8	-179	-64.9	-159.3	79.6	0	0	111.2	V222	M220-V222 HydrophobicContact CE-CG2 3.79Å
221	C	27.3	Very low	28.4	Very low	119 Å²	119	155.5 Å²	155.5	80%	0.804	81%	0.805	S	S	*	*			trans	-140.9	105.3	149.6	-165.6	0	0	0	0	108.4
222	V	25.1	Very low	29.1	Very low	99 Å²	99	155.4 Å²	155.4	60%	0.6	81%	0.809	S	S	*	*			trans	-79.4	131.2	177.8	179.1	0	0	0	0	108.5	M220	M220-V222 HydrophobicContact CE-CG2 3.79Å
223	S	32.1	Very low	29.8	Very low	104 Å²	104	152 Å²	152	73%	0.727	80%	0.801	S	S	*	*			trans	-145.8	96.5	173.4	-80	0	0	0	0	109.7	R225	S223-R225 PolarHBondContact O-N 2.62Å; S223-R225 VanDerWaalsContact O-N 3.1Å
224	N	26.2	Very low	30.2	Very low	153 Å²	153	151.8 Å²	151.8	82%	0.818	80%	0.799	S	S	*	*			trans	-68.6	104.6	-176.7	-72.8	-24.7	0	0	0	111.2
225	R	32.9	Very low	31.3	Very low	236 Å²	236	150.9 Å²	150.9	89%	0.891	79%	0.794	S	S	*	*			trans	-129.7	123.1	156.4	-72.9	-168	173.5	177	-0.5	110	S223 R227	S223-R225 PolarHBondContact O-N 2.62Å; S223-R225 VanDerWaalsContact O-N 3.1Å; R225-R227 PolarHBondContact O-N 3.32Å
226	L	29.2	Very low	31.9	Very low	179 Å²	179	151 Å²	151	94%	0.937	79%	0.794	S	S	*	*			trans	-52.7	119.7	-169.4	-67.1	156.2	0	0	0	111.9	S228	L226-S228 PolarHBondContact O-N 3.04Å; L226-S228 VanDerWaalsContact O-N 3.08Å
227	R	28.8	Very low	33	Very low	240 Å²	240	150.8 Å²	150.8	91%	0.906	79%	0.793	S	S	*	*			trans	-72.4	97.5	165.1	-74.3	-174.8	177.6	-179.4	1.6	108.3	R225	R225-R227 PolarHBondContact O-N 3.32Å
228	S	34.3	Very low	33.7	Very low	94 Å²	94	153.7 Å²	153.7	66%	0.657	79%	0.79	S	S	*	*			trans	-62.6	136.2	166	50.4	0	0	0	0	109.8	L226 R230	L226-S228 PolarHBondContact O-N 3.04Å; L226-S228 VanDerWaalsContact O-N 3.08Å; S228-R230 VanDerWaalsContact C-N 3.27Å; S228-R230 PolarHBondContact O-N 3.29Å
229	N	31	Very low	34.9	Very low	171 Å²	171	152.5 Å²	152.5	91%	0.914	78%	0.782	S	S	*	*			trans	-68.4	81.3	-177.2	-77.8	-24.4	0	0	0	111.2	S231	N229-S231 PolarHBondContact O-N 3.04Å
230	R	34.6	Very low	35.9	Very low	224 Å²	224	154.1 Å²	154.1	85%	0.845	78%	0.782	S	S	*	*			trans	-66.8	111.4	164.1	-71.1	-172.4	176.3	-168.6	-1.6	107.9	S228 S232	S228-R230 VanDerWaalsContact C-N 3.27Å; S228-R230 PolarHBondContact O-N 3.29Å; R230-S232 PolarHBondContact O-N 3.16Å
231	S	35.6	Very low	37.2	Very low	96 Å²	96	150.8 Å²	150.8	67%	0.671	77%	0.766	S	S	*	*			trans	-48.1	136.8	173.2	41.7	0	0	0	0	111	N229 F233	N229-S231 PolarHBondContact O-N 3.04Å; S231-F233 PolarHBondContact O-N 2.74Å
232	S	34.6	Very low	38.6	Very low	113 Å²	113	148.7 Å²	148.7	79%	0.79	75%	0.747	S	S	*	*			trans	-69.3	97.1	-176.8	36.9	0	0	0	0	110.5	R230	R230-S232 PolarHBondContact O-N 3.16Å
233	F	37.8	Very low	40.2	Very low	174 Å²	174	150.6 Å²	150.6	76%	0.763	75%	0.753	S	S	*	*			trans	-51.6	132.3	168.7	-79.2	-90.9	0	0	0	109.8	S231 V235	S231-F233 PolarHBondContact O-N 2.74Å; F233-V235 WeakPolarHBondContact O-CG2 3.47Å; F233-V235 PolarHBondContact O-N 3.4Å; F233-V235 VanDerWaalsContact O-N 3.15Å
234	P	39.5	Very low	41.7	Very low	98 Å²	98	155.5 Å²	155.5	64%	0.636	76%	0.761	S	S	*	*			trans	-61.6	119.3	-170.5	22.3	-33.1	0	0	0	111.4	H236	P234-H236 VanDerWaalsContact C-N 3.32Å; P234-H236 PolarHBondContact O-N 2.88Å
235	V	49	Very low	43.3	Very low	115 Å²	115	155.1 Å²	155.1	70%	0.697	75%	0.753	S	S	*	*			trans	-77.4	-17.1	-164.5	-174.1	0	0	0	0	112.9	F233 N237	F233-V235 WeakPolarHBondContact O-CG2 3.47Å; F233-V235 PolarHBondContact O-N 3.4Å; F233-V235 VanDerWaalsContact O-N 3.15Å; V235-N237 PolarHBondContact O-N 3.26Å
236	H	37.2	Very low	44.3	Very low	166 Å²	166	151.7 Å²	151.7	77%	0.769	74%	0.744	S	S	*	*	S	Bend	trans	-98.5	85.4	-166.9	-59.3	-72	0	0	0	113.7	P234	P234-H236 VanDerWaalsContact C-N 3.32Å; P234-H236 PolarHBondContact O-N 2.88Å
237	N	46.9	Very low	45.2	Very low	154 Å²	154	146.8 Å²	146.8	82%	0.824	72%	0.716	S	S	*	*	S	Bend	trans	155.3	0.8	141.5	-82.8	-34.9	0	0	0	114.8	V235 I239	V235-N237 PolarHBondContact O-N 3.26Å; N237-I239 PolarHBondContact O-N 3.38Å
238	Y	47.4	Very low	46.5	Very low	203 Å²	203	142 Å²	142	80%	0.796	70%	0.703	S	S	*	*			trans	-73.6	93.2	179	-67.1	-72.7	0	0	0	113.2	K240	Y238-K240 PolarHBondContact O-N 3.26Å; Y238-K240 VanDerWaalsContact O-N 3.07Å
239	I	49.6	Very low	47.4	Very low	136 Å²	136	141.3 Å²	141.3	70%	0.697	70%	0.697	S	S	*	*			trans	-65.6	107.2	169.6	-59.1	178.2	0	0	0	109	N237 L241	N237-I239 PolarHBondContact O-N 3.38Å; I239-L241 VanDerWaalsContact C-N 3.28Å; I239-L241 HydrophobicContact CG2-CD2 4.21Å; I239-L241 HydrophobicContact CG2-CG 4.37Å; I239-L241 PolarHBondContact O-N 3.43Å
240	K	50.7	Low	48.7	Very low	204 Å²	204	138 Å²	138	89%	0.887	69%	0.687	S	S	*	*			trans	-72.2	77.4	-179.5	-164.3	170.6	-172.7	171.4	0	111.8	Y238 N242	Y238-K240 PolarHBondContact O-N 3.26Å; Y238-K240 VanDerWaalsContact O-N 3.07Å; K240-N242 PolarHBondContact O-N 3.29Å
241	L	51.6	Low	49.4	Very low	89 Å²	89	134 Å²	134	47%	0.466	68%	0.682	S	S	.	*			trans	-59.3	103.5	179.9	-72.4	173.5	0	0	0	111.6	I239 L243 F248	I239-L241 VanDerWaalsContact C-N 3.28Å; I239-L241 HydrophobicContact CG2-CD2 4.21Å; I239-L241 HydrophobicContact CG2-CG 4.37Å; I239-L241 PolarHBondContact O-N 3.43Å; L241-L243 PolarHBondContact O-N 3.36Å; L241-F248 HydrophobicContact CD2-CD1 4.12Å
242	N	56.5	Low	50.5	Low	75 Å²	75	130.9 Å²	130.9	40%	0.401	67%	0.665	S	S	.	*			trans	-77.7	91.1	177.5	-170.9	-42.1	0	0	0	110	K240 K244 K245 K246	K240-N242 PolarHBondContact O-N 3.29Å; N242-K244 VanDerWaalsContact C-N 3.27Å; N242-K244 PolarHBondContact O-N 2.82Å; N242-K244 PolarHBondContact OD1-N 3.32Å; N242-K245 HydrophobicContact CB-CB 4.15Å; N242-K245 HydrophobicContact CB-CD 4.46Å; N242-K245 HydrophobicContact CB-CG 4.42Å; N242-K245 CarbonylContact O-C 3.55Å; N242-K245 WeakPolarHBondContact O-CA 3.38Å; N242-K245 PolarHBondContact O-N 2.89Å; N242-K245 PolarHBondContact OD1-N 3.43Å; N242-K246 PolarHBondContact O-N 3.4Å; N242-K246 VanDerWaalsContact O-N 3.13Å
243	L	58.4	Low	52	Low	138 Å²	138	128.6 Å²	128.6	72%	0.723	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-55	-38.8	-179.3	-70.2	169.1	0	0	0	112.9	L241 K245 K246	L241-L243 PolarHBondContact O-N 3.36Å; L243-K245 VanDerWaalsContact C-N 3.26Å; L243-K245 PolarHBondContact O-N 2.8Å; L243-K246 WeakPolarHBondContact O-CG 3.43Å; L243-K246 PolarHBondContact O-N 2.91Å; L243-K246 VanDerWaalsContact O-N 3.16Å
244	K	63.1	Low	53.4	Low	207 Å²	207	125 Å²	125	90%	0.9	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-62.1	-30.4	175.1	-69.5	-170	177.6	-175.3	0	112.7	N242	N242-K244 VanDerWaalsContact C-N 3.27Å; N242-K244 PolarHBondContact O-N 2.82Å; N242-K244 PolarHBondContact OD1-N 3.32Å
245	K	59.9	Low	54.8	Low	146 Å²	146	129.8 Å²	129.8	64%	0.635	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-89.9	-8.7	176.3	-69.3	-174.9	178.1	-176.7	0	114.5	N242 L243 Q247	N242-K245 HydrophobicContact CB-CB 4.15Å; N242-K245 HydrophobicContact CB-CD 4.46Å; N242-K245 HydrophobicContact CB-CG 4.42Å; N242-K245 CarbonylContact O-C 3.55Å; N242-K245 WeakPolarHBondContact O-CA 3.38Å; N242-K245 PolarHBondContact O-N 2.89Å; N242-K245 PolarHBondContact OD1-N 3.43Å; L243-K245 VanDerWaalsContact C-N 3.26Å; L243-K245 PolarHBondContact O-N 2.8Å; K245-Q247 VanDerWaalsContact C-N 3.25Å; K245-Q247 PolarHBondContact O-N 3.09Å
246	K	54.5	Low	55.9	Low	164 Å²	164	129.1 Å²	129.1	71%	0.713	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	44.2	47.3	-174.8	-63	-170.9	178.2	-175.2	0	113.2	N242 L243 F248	N242-K246 PolarHBondContact O-N 3.4Å; N242-K246 VanDerWaalsContact O-N 3.13Å; L243-K246 WeakPolarHBondContact O-CG 3.43Å; L243-K246 PolarHBondContact O-N 2.91Å; L243-K246 VanDerWaalsContact O-N 3.16Å; K246-F248 HydrophobicContact CB-CE2 4.31Å
247	Q	48.2	Very low	57.6	Low	75 Å²	75	130 Å²	130	35%	0.35	64%	0.637	S	S	.	*			trans	-112.8	119.7	-179.4	178.3	171	-12.5	0	0	110.4	K245 C249 S250	K245-Q247 VanDerWaalsContact C-N 3.25Å; K245-Q247 PolarHBondContact O-N 3.09Å; Q247-C249 VanDerWaalsContact CG-O 3.28Å; Q247-C249 WeakPolarHBondContact CG-O 3.49Å; Q247-C249 PolarHBondContact NE2-O 2.85Å; Q247-S250 PolarHBondContact NE2-O 2.77Å
248	F	56.6	Low	58.9	Low	141 Å²	141	126.3 Å²	126.3	62%	0.618	62%	0.62	S	S	*	*			trans	-111.3	1.5	-171	-59.5	-81.6	0	0	0	114.4	L241 K246	L241-F248 HydrophobicContact CD2-CD1 4.12Å; K246-F248 HydrophobicContact CB-CE2 4.31Å
249	C	53.1	Low	60.3	Low	79 Å²	79	121.5 Å²	121.5	53%	0.534	61%	0.607	S	S	.	*	S	Bend	trans	-139.8	148.9	173.7	-46	0	0	0	0	108.8	Q247	Q247-C249 VanDerWaalsContact CG-O 3.28Å; Q247-C249 WeakPolarHBondContact CG-O 3.49Å; Q247-C249 PolarHBondContact NE2-O 2.85Å
250	S	57	Low	61.6	Low	101 Å²	101	122 Å²	122	71%	0.706	60%	0.6	S	S	*	*	S	Bend	trans	-59.7	-63.6	174.9	49.7	0	0	0	0	110.5	Q247 G252	Q247-S250 PolarHBondContact NE2-O 2.77Å; S250-G252 PolarHBondContact O-N 2.97Å
251	N	50.6	Low	62.8	Low	141 Å²	141	121 Å²	121	75%	0.754	59%	0.591	S	S	*	*	S	Bend	trans	-95	86	173	-69.3	-27.3	0	0	0	109.6	S253	N251-S253 PolarHBondContact O-N 3.46Å
252	G	58.3	Low	64.1	Low	29 Å²	29	123.8 Å²	123.8	30%	0.299	60%	0.599	S	S	.	*			trans	-53.2	137.1	177.7	0	0	0	0	0	112.3	S250	S250-G252 PolarHBondContact O-N 2.97Å
253	S	65.9	Low	65.1	Low	65 Å²	65	124.1 Å²	124.1	46%	0.455	60%	0.604	S	S	.	*			trans	-53	147.6	-162.7	71.2	0	0	0	0	114.1	N251 R255 Q256 R257	N251-S253 PolarHBondContact O-N 3.46Å; S253-R255 PolarHBondContact O-N 2.81Å; S253-R255 VanDerWaalsContact O-N 3.08Å; S253-Q256 CarbonylContact O-C 3.52Å; S253-Q256 WeakPolarHBondContact O-CA 3.47Å; S253-Q256 WeakPolarHBondContact O-CB 3.44Å; S253-Q256 PolarHBondContact O-N 3.18Å; S253-Q256 PolarHBondContact OG-N 3.37Å; S253-R257 PolarHBondContact O-N 3.21Å
254	S	66.9	Low	65.9	Low	99 Å²	99	124.6 Å²	124.6	69%	0.692	60%	0.597	S	S	*	*	H	α-helix	trans	-50.8	-39.3	-178.7	-177.1	0	0	0	0	112.5	R257 T258	S254-R257 CarbonylContact O-C 3.49Å; S254-R257 WeakPolarHBondContact O-CB 3.43Å; S254-R257 PolarHBondContact O-N 3.37Å; S254-R257 VanDerWaalsContact O-N 3.11Å; S254-T258 PolarHBondContact O-N 3.44Å; S254-T258 PolarHBondContact O-OG1 3.03Å
255	R	69.2	Low	66.6	Low	199 Å²	199	119.2 Å²	119.2	75%	0.751	58%	0.578	S	S	*	*	H	α-helix	trans	-63.3	-39.7	174.6	-166.4	173.8	-178	177.4	0.6	113.3	S253 T258 L259	S253-R255 PolarHBondContact O-N 2.81Å; S253-R255 VanDerWaalsContact O-N 3.08Å; R255-T258 WeakPolarHBondContact CA-OG1 3.47Å; R255-T258 PolarHBondContact O-OG1 3.47Å; R255-L259 WeakPolarHBondContact O-CB 3.49Å; R255-L259 VanDerWaalsContact O-CG 3.28Å; R255-L259 WeakPolarHBondContact O-CG 3.29Å; R255-L259 PolarHBondContact O-N 3.18Å
256	Q	72.1	Confident	67.3	Low	101 Å²	101	117 Å²	117	47%	0.472	57%	0.573	S	S	.	*	H	α-helix	trans	-68.6	-35.5	169.9	-77.8	-168	-1.5	0	0	112	S253 L259 R260	S253-Q256 CarbonylContact O-C 3.52Å; S253-Q256 WeakPolarHBondContact O-CA 3.47Å; S253-Q256 WeakPolarHBondContact O-CB 3.44Å; S253-Q256 PolarHBondContact O-N 3.18Å; S253-Q256 PolarHBondContact OG-N 3.37Å; Q256-L259 PolarHBondContact O-N 3.44Å; Q256-R260 WeakPolarHBondContact O-CB 3.44Å; Q256-R260 VanDerWaalsContact O-CG 3.3Å; Q256-R260 WeakPolarHBondContact O-CG 3.49Å; Q256-R260 PolarHBondContact O-N 2.91Å
257	R	72.4	Confident	68.4	Low	184 Å²	184	116 Å²	116	69%	0.694	57%	0.569	S	S	*	*	H	α-helix	trans	-68.2	-39.5	178.8	-149.1	172.9	-172.6	176.9	1.7	111.6	S253 S254 R261	S253-R257 PolarHBondContact O-N 3.21Å; S254-R257 CarbonylContact O-C 3.49Å; S254-R257 WeakPolarHBondContact O-CB 3.43Å; S254-R257 PolarHBondContact O-N 3.37Å; S254-R257 VanDerWaalsContact O-N 3.11Å; R257-R261 WeakPolarHBondContact O-CB 3.05Å; R257-R261 PolarHBondContact O-N 3.41Å
258	T	75	Confident	69.4	Low	77 Å²	77	114.7 Å²	114.7	47%	0.472	56%	0.564	S	S	.	*	H	α-helix	trans	-68.4	-42	170.7	26.8	0	0	0	0	112.6	S254 R255 R261 K262	S254-T258 PolarHBondContact O-N 3.44Å; S254-T258 PolarHBondContact O-OG1 3.03Å; R255-T258 WeakPolarHBondContact CA-OG1 3.47Å; R255-T258 PolarHBondContact O-OG1 3.47Å; T258-R261 PolarHBondContact O-N 3.5Å; T258-K262 PolarHBondContact O-N 3.3Å
259	L	77.6	Confident	69.9	Low	102 Å²	102	117.4 Å²	117.4	53%	0.534	57%	0.57	S	S	.	*	H	α-helix	trans	-62.3	-43.5	173.9	-77.4	167.9	0	0	0	111.9	R255 Q256 K262 V263	R255-L259 WeakPolarHBondContact O-CB 3.49Å; R255-L259 VanDerWaalsContact O-CG 3.28Å; R255-L259 WeakPolarHBondContact O-CG 3.29Å; R255-L259 PolarHBondContact O-N 3.18Å; Q256-L259 PolarHBondContact O-N 3.44Å; L259-K262 PolarHBondContact O-N 2.93Å; L259-V263 WeakPolarHBondContact O-CB 3.49Å; L259-V263 WeakPolarHBondContact O-CG2 3.31Å; L259-V263 PolarHBondContact O-N 3.15Å
260	R	76	Confident	70.5	Confident	145 Å²	145	122.7 Å²	122.7	55%	0.547	58%	0.584	S	S	.	*	H	α-helix	trans	-62	-42	173.1	-74.9	178.7	-178.4	-165.7	0.9	111.5	Q256 V263 Y264	Q256-R260 WeakPolarHBondContact O-CB 3.44Å; Q256-R260 VanDerWaalsContact O-CG 3.3Å; Q256-R260 WeakPolarHBondContact O-CG 3.49Å; Q256-R260 PolarHBondContact O-N 2.91Å; R260-V263 PolarHBondContact O-N 3.32Å; R260-Y264 WeakPolarHBondContact O-CB 3.44Å; R260-Y264 PolarHBondContact O-N 3.33Å
261	R	76.3	Confident	70.6	Confident	183 Å²	183	125.7 Å²	125.7	69%	0.691	58%	0.584	S	S	*	*	H	α-helix	trans	-60.5	-46.5	171.6	-92.2	-175.6	168.6	171.6	-4.5	112.1	R257 T258 Y264 L265	R257-R261 WeakPolarHBondContact O-CB 3.05Å; R257-R261 PolarHBondContact O-N 3.41Å; T258-R261 PolarHBondContact O-N 3.5Å; R261-Y264 PolarHBondContact O-N 3Å; R261-L265 VanDerWaalsContact O-CB 3.3Å; R261-L265 WeakPolarHBondContact O-CB 3.4Å; R261-L265 VanDerWaalsContact O-CG 3.29Å; R261-L265 WeakPolarHBondContact O-CG 3.14Å; R261-L265 PolarHBondContact O-N 3.07Å
262	K	78.3	Confident	70.5	Confident	148 Å²	148	126.3 Å²	126.3	64%	0.643	58%	0.58	S	S	*	*	H	α-helix	trans	-62.6	-42.5	176.2	-80.3	-168.7	172.6	-174	0	112.5	T258 L259 N266	T258-K262 PolarHBondContact O-N 3.3Å; L259-K262 PolarHBondContact O-N 2.93Å; K262-N266 VanDerWaalsContact O-CB 3.31Å; K262-N266 WeakPolarHBondContact O-CB 3.35Å; K262-N266 PolarHBondContact O-N 3.49Å
263	V	76.8	Confident	70	Confident	82 Å²	82	133.4 Å²	133.4	50%	0.497	60%	0.603	S	S	.	*	H	α-helix	trans	-66.9	-39.1	175.9	171.1	0	0	0	0	111.6	L259 R260 K267	L259-V263 WeakPolarHBondContact O-CB 3.49Å; L259-V263 WeakPolarHBondContact O-CG2 3.31Å; L259-V263 PolarHBondContact O-N 3.15Å; R260-V263 PolarHBondContact O-N 3.32Å; V263-K267 WeakPolarHBondContact O-CB 3.29Å; V263-K267 WeakPolarHBondContact O-CG 3.3Å; V263-K267 PolarHBondContact O-N 3.27Å
264	Y	76.2	Confident	68.8	Low	148 Å²	148	137.4 Å²	137.4	58%	0.58	62%	0.619	S	S	*	*	H	α-helix	trans	-68	-46.2	176.3	-179.5	-109.7	0	0	0	111.7	R260 R261 N266 K267 L268	R260-Y264 WeakPolarHBondContact O-CB 3.44Å; R260-Y264 PolarHBondContact O-N 3.33Å; R261-Y264 PolarHBondContact O-N 3Å; Y264-N266 VanDerWaalsContact C-N 3.33Å; Y264-N266 PolarHBondContact O-N 2.95Å; Y264-K267 CarbonylContact O-C 3.59Å; Y264-K267 WeakPolarHBondContact O-CA 3.4Å; Y264-K267 WeakPolarHBondContact O-CB 3.03Å; Y264-K267 PolarHBondContact O-N 3.21Å; Y264-K267 VanDerWaalsContact O-N 3.09Å; Y264-L268 HydrophobicContact CD1-CD1 3.81Å; Y264-L268 HydrophobicContact CD1-CG 4.37Å; Y264-L268 HydrophobicContact CE1-CD1 3.41Å; Y264-L268 VanDerWaalsContact CE1-CD1 3.41Å; Y264-L268 HydrophobicContact CE1-CG 4.08Å; Y264-L268 HydrophobicContact CE2-CG 4.45Å; Y264-L268 WeakPolarHBondContact O-CG 3.2Å; Y264-L268 PolarHBondContact O-N 3.15Å
265	L	77	Confident	67.3	Low	95 Å²	95	137.6 Å²	137.6	50%	0.497	62%	0.616	S	S	.	*	H	α-helix	trans	-62.4	-36.6	173.9	-73.5	166.4	0	0	0	112.3	R261 L268 R269	R261-L265 VanDerWaalsContact O-CB 3.3Å; R261-L265 WeakPolarHBondContact O-CB 3.4Å; R261-L265 VanDerWaalsContact O-CG 3.29Å; R261-L265 WeakPolarHBondContact O-CG 3.14Å; R261-L265 PolarHBondContact O-N 3.07Å; L265-L268 HydrophobicContact CD2-CD1 4.35Å; L265-L268 PolarHBondContact O-N 3.02Å; L265-R269 WeakPolarHBondContact O-CB 3.15Å; L265-R269 PolarHBondContact O-N 3.47Å
266	N	76.1	Confident	65.7	Low	99 Å²	99	135.8 Å²	135.8	53%	0.529	62%	0.616	S	S	.	*	H	α-helix	trans	-69.7	-34	171.8	-79	-6.8	0	0	0	112.4	K262 Y264 K270	K262-N266 VanDerWaalsContact O-CB 3.31Å; K262-N266 WeakPolarHBondContact O-CB 3.35Å; K262-N266 PolarHBondContact O-N 3.49Å; Y264-N266 VanDerWaalsContact C-N 3.33Å; Y264-N266 PolarHBondContact O-N 2.95Å; N266-K270 WeakPolarHBondContact O-CB 3.48Å; N266-K270 WeakPolarHBondContact O-CG 3.36Å; N266-K270 PolarHBondContact O-N 3.39Å
267	K	76.8	Confident	64	Low	143 Å²	143	139.6 Å²	139.6	62%	0.622	63%	0.633	S	S	*	*	H	α-helix	trans	-69.2	-36.9	171.1	-78.8	-175.6	175.1	-169.6	0	112.1	V263 Y264 K270 K271	V263-K267 WeakPolarHBondContact O-CB 3.29Å; V263-K267 WeakPolarHBondContact O-CG 3.3Å; V263-K267 PolarHBondContact O-N 3.27Å; Y264-K267 CarbonylContact O-C 3.59Å; Y264-K267 WeakPolarHBondContact O-CA 3.4Å; Y264-K267 WeakPolarHBondContact O-CB 3.03Å; Y264-K267 PolarHBondContact O-N 3.21Å; Y264-K267 VanDerWaalsContact O-N 3.09Å; K267-K270 PolarHBondContact O-N 2.86Å; K267-K271 WeakPolarHBondContact O-CB 3.44Å; K267-K271 PolarHBondContact O-N 3.46Å
268	L	68.8	Low	62.6	Low	48 Å²	48	140.2 Å²	140.2	25%	0.251	64%	0.641	S	S	.	*	H	α-helix	trans	-65.6	-51.8	172.5	-73.3	175.1	0	0	0	110.9	Y264 L265 K270 K271 F272	Y264-L268 HydrophobicContact CD1-CD1 3.81Å; Y264-L268 HydrophobicContact CD1-CG 4.37Å; Y264-L268 HydrophobicContact CE1-CD1 3.41Å; Y264-L268 VanDerWaalsContact CE1-CD1 3.41Å; Y264-L268 HydrophobicContact CE1-CG 4.08Å; Y264-L268 HydrophobicContact CE2-CG 4.45Å; Y264-L268 WeakPolarHBondContact O-CG 3.2Å; Y264-L268 PolarHBondContact O-N 3.15Å; L265-L268 HydrophobicContact CD2-CD1 4.35Å; L265-L268 PolarHBondContact O-N 3.02Å; L268-K270 PolarHBondContact O-N 2.77Å; L268-K270 VanDerWaalsContact O-N 3.13Å; L268-K271 CarbonylContact O-C 3.59Å; L268-K271 WeakPolarHBondContact O-CA 3.44Å; L268-K271 PolarHBondContact O-N 3.14Å; L268-F272 HydrophobicContact CB-CD2 4.42Å; L268-F272 HydrophobicContact CD2-CD2 3.92Å; L268-F272 HydrophobicContact CD2-CE2 3.6Å; L268-F272 PolarHBondContact O-N 2.89Å
269	R	68.1	Low	61.3	Low	197 Å²	197	142.1 Å²	142.1	74%	0.743	65%	0.652	S	S	*	*	H	α-helix	trans	-56.8	-27.5	173.7	-81.9	-174.6	167.2	-172.2	-4.7	113.3	L265 K273	L265-R269 WeakPolarHBondContact O-CB 3.15Å; L265-R269 PolarHBondContact O-N 3.47Å; R269-K273 WeakPolarHBondContact O-CB 3.36Å
270	K	66	Low	60.4	Low	190 Å²	190	144.8 Å²	144.8	83%	0.826	67%	0.667	S	S	*	*	H	α-helix	trans	-83.7	-20.6	171.4	-76.1	-170.3	174.5	-159.4	0	114.7	N266 K267 L268	N266-K270 WeakPolarHBondContact O-CB 3.48Å; N266-K270 WeakPolarHBondContact O-CG 3.36Å; N266-K270 PolarHBondContact O-N 3.39Å; K267-K270 PolarHBondContact O-N 2.86Å; L268-K270 PolarHBondContact O-N 2.77Å; L268-K270 VanDerWaalsContact O-N 3.13Å
271	K	57.8	Low	60	Low	164 Å²	164	140 Å²	140	71%	0.713	66%	0.656	S	S	*	*	H	α-helix	trans	-91.1	-33.2	176.9	-89	-161.7	165.7	-156	0	113.9	K267 L268	K267-K271 WeakPolarHBondContact O-CB 3.44Å; K267-K271 PolarHBondContact O-N 3.46Å; L268-K271 CarbonylContact O-C 3.59Å; L268-K271 WeakPolarHBondContact O-CA 3.44Å; L268-K271 PolarHBondContact O-N 3.14Å
272	F	48	Very low	59.5	Low	154 Å²	154	131.4 Å²	131.4	68%	0.675	62%	0.624	S	S	*	*	S	Bend	trans	-100.5	6.4	-172.5	-78.8	-88.4	0	0	0	113.5	L268 N274	L268-F272 HydrophobicContact CB-CD2 4.42Å; L268-F272 HydrophobicContact CD2-CD2 3.92Å; L268-F272 HydrophobicContact CD2-CE2 3.6Å; L268-F272 PolarHBondContact O-N 2.89Å; F272-N274 VanDerWaalsContact C-N 3.31Å
273	K	48.5	Very low	58.9	Low	179 Å²	179	133.2 Å²	133.2	78%	0.778	63%	0.632	S	S	*	*	S	Bend	trans	-86.1	5.4	177.9	-125.4	-156.1	175.5	-146	0	115.5	R269	R269-K273 WeakPolarHBondContact O-CB 3.36Å
274	N	40	Very low	58.3	Low	149 Å²	149	132.7 Å²	132.7	80%	0.797	63%	0.626	S	S	*	*	S	Bend	trans	-165.6	147.7	146.6	-93.3	-14	0	0	0	108.6	F272	F272-N274 VanDerWaalsContact C-N 3.31Å
275	V	36.7	Very low	58	Low	103 Å²	103	127.1 Å²	127.1	62%	0.624	61%	0.608	S	S	*	*			trans	-93.2	159.5	175	-173.4	0	0	0	0	108.7
276	H	36	Very low	57.6	Low	161 Å²	161	125 Å²	125	75%	0.745	61%	0.61	S	S	*	*			trans	68.1	110.3	-175.2	-42.3	-87.5	0	0	0	112.4
277	H	35.6	Very low	57.2	Low	180 Å²	180	124.5 Å²	124.5	83%	0.833	61%	0.61	S	S	*	*				-156.6	172.8	60	-96.4	-96.7	0	0	0	113.2
278	K	42	Very low	56.8	Low	198 Å²	198	121.6 Å²	121.6	86%	0.861	61%	0.607	S	S	*	*			trans	-101.2	122.6	169.3	-61.7	173.2	-178.4	172.5	0	110.3
279	T	48.9	Very low	56.7	Low	116 Å²	116	123.1 Å²	123.1	71%	0.712	64%	0.635	S	S	*	*	S	Bend	trans	171.4	176	152.4	25.1	0	0	0	0	110.1	S281	T279-S281 PolarHBondContact O-N 3.17Å
280	N	58.1	Low	56.5	Low	159 Å²	159	115.4 Å²	115.4	85%	0.85	61%	0.607	S	S	*	*	S	Bend	trans	-78.8	44.2	177	-74	-25.4	0	0	0	113.5	S288	N280-S288 WeakPolarHBondContact O-CB 3.46Å
281	S	68.5	Low	56.5	Low	43 Å²	43	115.9 Å²	115.9	30%	0.301	60%	0.604	S	S	.	*	B	Isolated β-bridge	trans	-90.2	154.4	174.4	42	0	0	0	0	112	T279 G286	T279-S281 PolarHBondContact O-N 3.17Å; S281-G286 WeakPolarHBondContact CB-O 3.08Å
282	C	65.5	Low	56.8	Low	3 Å²	3	109.4 Å²	109.4	2%	0.02	58%	0.581	C	S	.	*			trans	-75.5	124.2	173.4	179.5	0	0	0	0	111.1	I284 C285 G286 V287 H290 C295	C282-I284 PolarHBondContact O-N 2.99Å; C282-C285 PolarHBondContact O-N 2.72Å; C282-G286 WeakPolarHBondContact O-CA 3.31Å; C282-G286 PolarHBondContact O-N 3.21Å; C282-V287 WeakPolarHBondContact CB-O 3.35Å; C282-V287 PolarHBondContact N-O 3.39Å; C282-H290 WeakPolarHBondContact CB-NE2 3.29Å; C282-H290 VanDerWaalsContact SG-CD2 3.56Å; C282-H290 PolarHBondContact SG-NE2 3.29Å; C282-C295 VanDerWaalsContact SG-CB 3.55Å; C282-C295 VanDerWaalsContact SG-SG 3.63Å
283	F	66.1	Low	57.5	Low	187 Å²	187	108.5 Å²	108.5	82%	0.82	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	11.7	-179.9	-59.1	-84.3	0	0	0	116.7	A292	F283-A292 HydrophobicContact CB-CB 4.1Å; F283-A292 HydrophobicContact CD2-CB 4.16Å
284	I	64.1	Low	58	Low	70 Å²	70	103.6 Å²	103.6	36%	0.359	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-126.2	-54.9	179.7	-66.9	148.8	0	0	0	110.1	C282 A292 C295 Q297 T298	C282-I284 PolarHBondContact O-N 2.99Å; I284-A292 HydrophobicContact CD1-CB 3.76Å; I284-A292 WeakPolarHBondContact CD1-O 3.34Å; I284-A292 HydrophobicContact CG1-CB 4.44Å; I284-C295 HydrophobicContact CB-CB 4.18Å; I284-C295 HydrophobicContact CD1-CB 3.72Å; I284-C295 HydrophobicContact CG2-CB 4.45Å; I284-Q297 HydrophobicContact CG2-CB 3.77Å; I284-Q297 PolarHBondContact O-OE1 2.86Å; I284-T298 HydrophobicContact CD1-CG2 3.5Å; I284-T298 VanDerWaalsContact CD1-CG2 3.5Å; I284-T298 HydrophobicContact CG1-CG2 4.26Å; I284-T298 HydrophobicContact CG2-CG2 4.36Å
285	C	68.9	Low	59.2	Low	32 Å²	32	96.5 Å²	96.5	22%	0.216	52%	0.524	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	2.1	-176.2	74.2	0	0	0	0	114.8	C282 V287 H290 Q297	C282-C285 PolarHBondContact O-N 2.72Å; C285-V287 PolarHBondContact O-N 2.79Å; C285-H290 PolarHBondContact SG-CE1 3.43Å; C285-H290 PolarHBondContact SG-NE2 3.42Å; C285-H290 VanDerWaalsContact SG-NE2 3.43Å; C285-Q297 VanDerWaalsContact CA-OE1 3.29Å; C285-Q297 VanDerWaalsContact CB-CD 3.43Å; C285-Q297 HydrophobicContact CB-CG 4.07Å
286	G	68.7	Low	60.1	Low	51 Å²	51	93.3 Å²	93.3	53%	0.526	51%	0.506	S	S	.	.			trans	72.9	-22.8	-179.1	0	0	0	0	0	116	S281 C282	S281-G286 WeakPolarHBondContact CB-O 3.08Å; C282-G286 WeakPolarHBondContact O-CA 3.31Å; C282-G286 PolarHBondContact O-N 3.21Å
287	V	68.3	Low	60.9	Low	87 Å²	87	91.3 Å²	91.3	53%	0.527	50%	0.496	S	S	.	.			trans	-68.6	141.8	-179.4	-169.7	0	0	0	0	111.5	C282 C285	C282-V287 WeakPolarHBondContact CB-O 3.35Å; C282-V287 PolarHBondContact N-O 3.39Å; C285-V287 PolarHBondContact O-N 2.79Å
288	S	67.9	Low	62	Low	82 Å²	82	86.5 Å²	86.5	57%	0.573	48%	0.48	S	S	*	.	B	Isolated β-bridge	trans	-76.3	-179.5	175.5	58.9	0	0	0	0	113	N280 H290	N280-S288 WeakPolarHBondContact O-CB 3.46Å; S288-H290 VanDerWaalsContact C-N 3.32Å; S288-H290 PolarHBondContact O-N 3Å; S288-H290 PolarHBondContact O-ND1 3.13Å
289	G	66.5	Low	62.6	Low	80 Å²	80	81 Å²	81	83%	0.825	46%	0.459	S	S	*	.	S	Bend	trans	82.2	-6	172.7	0	0	0	0	0	116.3
290	H	63.6	Low	62.2	Low	35 Å²	35	81.5 Å²	81.5	16%	0.162	46%	0.455	C	S	.	.	S	Bend	trans	-145.5	160.3	175.2	68.9	-84.4	0	0	0	113.4	C282 C285 S288 C295	C282-H290 WeakPolarHBondContact CB-NE2 3.29Å; C282-H290 VanDerWaalsContact SG-CD2 3.56Å; C282-H290 PolarHBondContact SG-NE2 3.29Å; C285-H290 PolarHBondContact SG-CE1 3.43Å; C285-H290 PolarHBondContact SG-NE2 3.42Å; C285-H290 VanDerWaalsContact SG-NE2 3.43Å; S288-H290 VanDerWaalsContact C-N 3.32Å; S288-H290 PolarHBondContact O-N 3Å; S288-H290 PolarHBondContact O-ND1 3.13Å; H290-C295 VanDerWaalsContact CD2-CA 3.49Å; H290-C295 WeakPolarHBondContact CD2-CA 3.47Å; H290-C295 PolarHBondContact NE2-SG 2.91Å; H290-C295 VanDerWaalsContact NE2-SG 3.38Å
291	W	65.8	Low	61.1	Low	200 Å²	200	83.1 Å²	83.1	76%	0.758	45%	0.454	S	S	*	.			trans	-91.9	154.4	-178.7	-68.4	63.2	0	0	0	110.9	N293 K294 C295	W291-N293 WeakPolarHBondContact CB-OD1 3.22Å; W291-N293 PolarHBondContact O-N 2.8Å; W291-N293 VanDerWaalsContact O-N 3.13Å; W291-K294 CarbonylContact O-C 3.56Å; W291-K294 WeakPolarHBondContact O-CA 3.46Å; W291-K294 WeakPolarHBondContact O-CB 3Å; W291-K294 PolarHBondContact O-N 2.84Å; W291-C295 PolarHBondContact O-N 3.27Å
292	A	64.6	Low	59.4	Low	29 Å²	29	86.4 Å²	86.4	24%	0.24	47%	0.474	C	S	.	.	G	3₁₀ helix	trans	-58.5	-29.2	-177.8	0	0	0	0	0	114.7	F283 I284 K294 T298	F283-A292 HydrophobicContact CB-CB 4.1Å; F283-A292 HydrophobicContact CD2-CB 4.16Å; I284-A292 HydrophobicContact CD1-CB 3.76Å; I284-A292 WeakPolarHBondContact CD1-O 3.34Å; I284-A292 HydrophobicContact CG1-CB 4.44Å; A292-K294 PolarHBondContact O-N 3.11Å; A292-T298 PolarHBondContact O-OG1 3.45Å
293	N	63.1	Low	57.6	Low	134 Å²	134	93.7 Å²	93.7	72%	0.717	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-82.1	2.4	173.4	64.8	-54.1	0	0	0	114.3	W291	W291-N293 WeakPolarHBondContact CB-OD1 3.22Å; W291-N293 PolarHBondContact O-N 2.8Å; W291-N293 VanDerWaalsContact O-N 3.13Å
294	K	59.5	Low	56	Low	76 Å²	76	90.2 Å²	90.2	33%	0.33	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-120.6	13.1	172	-68.8	-168.7	165.8	-164.3	0	111.6	W291 A292 Y838	W291-K294 CarbonylContact O-C 3.56Å; W291-K294 WeakPolarHBondContact O-CA 3.46Å; W291-K294 WeakPolarHBondContact O-CB 3Å; W291-K294 PolarHBondContact O-N 2.84Å; A292-K294 PolarHBondContact O-N 3.11Å; K294-Y838 HydrophobicContact CD-CE2 4.35Å; K294-Y838 PolarHBondContact NZ-OH 2.9Å
295	C	64.7	Low	54.4	Low	0 Å²	0	92.7 Å²	92.7	0%	0	53%	0.528	C	S	.	.			trans	-75.2	130.4	-173.1	-173.6	0	0	0	0	112	C282 I284 H290 W291 Q297 T298 I299	C282-C295 VanDerWaalsContact SG-CB 3.55Å; C282-C295 VanDerWaalsContact SG-SG 3.63Å; I284-C295 HydrophobicContact CB-CB 4.18Å; I284-C295 HydrophobicContact CD1-CB 3.72Å; I284-C295 HydrophobicContact CG2-CB 4.45Å; H290-C295 VanDerWaalsContact CD2-CA 3.49Å; H290-C295 WeakPolarHBondContact CD2-CA 3.47Å; H290-C295 PolarHBondContact NE2-SG 2.91Å; H290-C295 VanDerWaalsContact NE2-SG 3.38Å; W291-C295 PolarHBondContact O-N 3.27Å; C295-Q297 PolarHBondContact O-N 2.82Å; C295-T298 WeakPolarHBondContact CB-OG1 3.35Å; C295-T298 PolarHBondContact O-N 3.43Å; C295-T298 PolarHBondContact O-OG1 3.02Å; C295-I299 WeakPolarHBondContact O-CG1 3.48Å; C295-I299 PolarHBondContact O-N 3.28Å; C295-I299 VanDerWaalsContact O-N 3.16Å
296	P	55.9	Low	52.6	Low	37 Å²	37	97.6 Å²	97.6	24%	0.24	55%	0.551	C	S	.	*	H	α-helix	trans	-49.4	-44.4	173.8	-29.9	36.6	0	0	0	112.5	T298 I299 M300	P296-T298 PolarHBondContact O-N 2.83Å; P296-T298 VanDerWaalsContact O-N 3.12Å; P296-I299 PolarHBondContact O-N 3.02Å; P296-M300 WeakPolarHBondContact O-CA 3.28Å; P296-M300 VanDerWaalsContact O-CB 3.3Å; P296-M300 WeakPolarHBondContact O-CB 3.37Å; P296-M300 PolarHBondContact O-N 2.68Å
297	Q	53.3	Low	50.8	Low	119 Å²	119	101.6 Å²	101.6	56%	0.556	56%	0.56	S	S	*	*	H	α-helix	trans	-68.3	-7	178.3	-70.8	-178.6	-12.4	0	0	115.7	I284 C285 C295 M300	I284-Q297 HydrophobicContact CG2-CB 3.77Å; I284-Q297 PolarHBondContact O-OE1 2.86Å; C285-Q297 VanDerWaalsContact CA-OE1 3.29Å; C285-Q297 VanDerWaalsContact CB-CD 3.43Å; C285-Q297 HydrophobicContact CB-CG 4.07Å; C295-Q297 PolarHBondContact O-N 2.82Å; Q297-M300 CarbonylContact C-O 3.57Å
298	T	57.4	Low	49.2	Very low	79 Å²	79	104.8 Å²	104.8	49%	0.485	57%	0.574	S	S	.	*	H	α-helix	trans	-104.3	-17.3	167.3	37	0	0	0	0	114.2	I284 A292 C295 P296	I284-T298 HydrophobicContact CD1-CG2 3.5Å; I284-T298 VanDerWaalsContact CD1-CG2 3.5Å; I284-T298 HydrophobicContact CG1-CG2 4.26Å; I284-T298 HydrophobicContact CG2-CG2 4.36Å; A292-T298 PolarHBondContact O-OG1 3.45Å; C295-T298 WeakPolarHBondContact CB-OG1 3.35Å; C295-T298 PolarHBondContact O-N 3.43Å; C295-T298 PolarHBondContact O-OG1 3.02Å; P296-T298 PolarHBondContact O-N 2.83Å; P296-T298 VanDerWaalsContact O-N 3.12Å
299	I	55.2	Low	47.4	Very low	81 Å²	81	107.1 Å²	107.1	42%	0.415	58%	0.58	S	S	.	*	H	α-helix	trans	-85.2	-48.9	174.7	-63.6	164.7	0	0	0	107.9	C295 P296 K301	C295-I299 WeakPolarHBondContact O-CG1 3.48Å; C295-I299 PolarHBondContact O-N 3.28Å; C295-I299 VanDerWaalsContact O-N 3.16Å; P296-I299 PolarHBondContact O-N 3.02Å; I299-K301 PolarHBondContact O-N 3.35Å
300	M	40	Very low	45.8	Very low	128 Å²	128	109.5 Å²	109.5	63%	0.631	57%	0.573	S	S	*	*			trans	-80	91.8	164.5	-54.3	173	77.8	0	0	109.4	P296 Q297 P302	P296-M300 WeakPolarHBondContact O-CA 3.28Å; P296-M300 VanDerWaalsContact O-CB 3.3Å; P296-M300 WeakPolarHBondContact O-CB 3.37Å; P296-M300 PolarHBondContact O-N 2.68Å; Q297-M300 CarbonylContact C-O 3.57Å; M300-P302 WeakPolarHBondContact O-CD 3.35Å
301	K	34.6	Very low	44.1	Very low	192 Å²	192	112.2 Å²	112.2	84%	0.835	59%	0.588	S	S	*	*			trans	-78.8	104.9	140	-89.9	-163.5	168.7	-161.5	0	106.8	I299	I299-K301 PolarHBondContact O-N 3.35Å
302	P	33.1	Very low	42.4	Very low	112 Å²	112	108 Å²	108	73%	0.727	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-58.7	143.7	159.5	28.1	-33.6	0	0	0	108.2	M300	M300-P302 WeakPolarHBondContact O-CD 3.35Å
303	Q	28.5	Very low	40.9	Very low	157 Å²	157	116.9 Å²	116.9	73%	0.734	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-67	150.9	162.4	-73.7	177.8	-74.5	0	0	108.4
304	P	32.5	Very low	39.2	Very low	114 Å²	114	118 Å²	118	74%	0.74	61%	0.609	S	S	*	*	S	Bend	trans	-55.8	145.2	163.1	27.8	-34.4	0	0	0	108.9	I306	P304-I306 PolarHBondContact O-N 2.92Å
305	S	30.5	Very low	37.7	Very low	121 Å²	121	121.3 Å²	121.3	85%	0.846	63%	0.626	S	S	*	*			trans	-50.5	107	-171.3	47.9	0	0	0	0	113.3
306	I	31.6	Very low	36.2	Very low	136 Å²	136	124 Å²	124	70%	0.697	64%	0.644	S	S	*	*			trans	-90.6	115.1	161.5	-62.5	177.5	0	0	0	106.7	P304	P304-I306 PolarHBondContact O-N 2.92Å
307	N	29.8	Very low	35.2	Very low	135 Å²	135	129.4 Å²	129.4	72%	0.722	67%	0.671	S	S	*	*	S	Bend	trans	-1.2	107.8	176.4	-61.2	-2	0	0	0	118	N309	N307-N309 VanDerWaalsContact C-N 3.25Å; N307-N309 PolarHBondContact O-N 3.46Å
308	N	34.3	Very low	34.6	Very low	154 Å²	154	130 Å²	130	82%	0.824	68%	0.678	S	S	*	*	S	Bend	trans	45.6	-1.9	139.5	-67.2	8.8	0	0	0	123.1	L310	N308-L310 PolarHBondContact O-N 3.43Å; N308-L310 VanDerWaalsContact O-N 3.09Å
309	N	31.9	Very low	34	Very low	130 Å²	130	131.7 Å²	131.7	70%	0.695	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	27.5	166	-71.4	43.2	0	0	0	111.9	N307	N307-N309 VanDerWaalsContact C-N 3.25Å; N307-N309 PolarHBondContact O-N 3.46Å
310	L	31.6	Very low	33.7	Very low	131 Å²	131	129.5 Å²	129.5	69%	0.686	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-13.3	170	-166.3	62.5	0	0	0	111.7	N308 D312 W313	N308-L310 PolarHBondContact O-N 3.43Å; N308-L310 VanDerWaalsContact O-N 3.09Å; L310-D312 VanDerWaalsContact C-N 3.3Å; L310-D312 PolarHBondContact O-N 3.16Å; L310-W313 PolarHBondContact O-N 3.27Å
311	L	29	Very low	34.6	Very low	91 Å²	91	131.5 Å²	131.5	48%	0.476	69%	0.685	S	S	.	*	G	3₁₀ helix	trans	-64.2	-33.1	-179.6	-147.9	68.5	0	0	0	112.6	W313 Q314 Q315	L311-W313 PolarHBondContact O-N 2.69Å; L311-Q314 PolarHBondContact O-N 3.18Å; L311-Q315 HydrophobicContact CD1-CG 4.38Å; L311-Q315 VanDerWaalsContact CD2-OE1 3.3Å; L311-Q315 HydrophobicContact CG-CG 4.03Å; L311-Q315 PolarHBondContact O-N 3.28Å
312	D	30.1	Very low	36.1	Very low	111 Å²	111	124 Å²	124	59%	0.594	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-60.7	-16.1	179.7	-69.7	-14.5	0	0	0	114.4	L310	L310-D312 VanDerWaalsContact C-N 3.3Å; L310-D312 PolarHBondContact O-N 3.16Å
313	W	31.5	Very low	37.9	Very low	217 Å²	217	119.9 Å²	119.9	82%	0.822	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-109.1	1.8	175.5	-76.9	86.2	0	0	0	114.1	L310 L311	L310-W313 PolarHBondContact O-N 3.27Å; L311-W313 PolarHBondContact O-N 2.69Å
314	Q	28.7	Very low	40.2	Very low	157 Å²	157	115.4 Å²	115.4	73%	0.734	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118	-17.7	173.7	-68.3	-165.1	-65.7	0	0	113.9	L311	L311-Q314 PolarHBondContact O-N 3.18Å
315	Q	28.3	Very low	42.3	Very low	146 Å²	146	111.6 Å²	111.6	68%	0.682	59%	0.585	S	S	*	*	S	Bend	trans	-104.8	-6.3	176.8	-71.4	-170.9	-23.5	0	0	114.4	L311 D317	L311-Q315 HydrophobicContact CD1-CG 4.38Å; L311-Q315 VanDerWaalsContact CD2-OE1 3.3Å; L311-Q315 HydrophobicContact CG-CG 4.03Å; L311-Q315 PolarHBondContact O-N 3.28Å; Q315-D317 PolarHBondContact O-N 3.05Å
316	S	33.2	Very low	44.5	Very low	55 Å²	55	108.6 Å²	108.6	39%	0.385	57%	0.567	S	S	.	*			trans	-82	96.6	163.6	78.6	0	0	0	0	110	N318	S316-N318 PolarHBondContact O-N 3.35Å
317	D	34.2	Very low	46.8	Very low	152 Å²	152	104.3 Å²	104.3	81%	0.813	54%	0.544	S	S	*	.			trans	-69.7	37.6	157.5	-94.6	-43.3	0	0	0	111.7	Q315 T319	Q315-D317 PolarHBondContact O-N 3.05Å; D317-T319 PolarHBondContact O-N 2.83Å
318	N	40.5	Very low	49.2	Very low	130 Å²	130	97.9 Å²	97.9	70%	0.695	51%	0.51	S	S	*	.			trans	-66.9	66.1	158.1	-80.9	-33.5	0	0	0	108.6	S316 C320	S316-N318 PolarHBondContact O-N 3.35Å; N318-C320 PolarHBondContact O-N 3.21Å
319	T	44.3	Very low	51.3	Low	115 Å²	115	91.1 Å²	91.1	71%	0.706	47%	0.474	S	S	*	.			trans	-37.3	116.7	153.8	51.2	0	0	0	0	107.1	D317 K321	D317-T319 PolarHBondContact O-N 2.83Å; T319-K321 PolarHBondContact O-N 3.28Å
320	C	49.7	Very low	53.4	Low	36 Å²	36	90.5 Å²	90.5	24%	0.243	47%	0.47	C	S	.	.			trans	-60.6	110.6	-173.2	-69.5	0	0	0	0	107.4	N318 I322 A845 Q849	N318-C320 PolarHBondContact O-N 3.21Å; C320-I322 PolarHBondContact O-N 2.98Å; C320-A845 HydrophobicContact CB-CB 4.19Å; C320-Q849 PolarHBondContact SG-NE2 3.48Å
321	K	59.1	Low	55.6	Low	170 Å²	170	90.5 Å²	90.5	74%	0.739	46%	0.461	S	S	*	.			trans	-70.7	75	-173.9	-170.2	174.8	178.3	174.4	0	110.1	T319 L323	T319-K321 PolarHBondContact O-N 3.28Å; K321-L323 PolarHBondContact O-N 2.78Å
322	I	65.1	Low	57.9	Low	35 Å²	35	88.8 Å²	88.8	18%	0.179	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-58.1	120.9	168.1	-69.2	166.6	0	0	0	105.9	C320 S324 C848 L858 Y875	C320-I322 PolarHBondContact O-N 2.98Å; I322-S324 PolarHBondContact O-N 2.83Å; I322-C848 HydrophobicContact CG1-CB 4.36Å; I322-L858 HydrophobicContact CD1-CD2 3.77Å; I322-Y875 HydrophobicContact CD1-CD1 4.46Å; I322-Y875 HydrophobicContact CD1-CE1 3.44Å; I322-Y875 VanDerWaalsContact CD1-CE1 3.44Å; I322-Y875 WeakPolarHBondContact CD1-OH 3.37Å
323	L	71.3	Confident	60.1	Low	25 Å²	25	91.3 Å²	91.3	13%	0.131	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-60.8	121.6	176	-58.7	173	0	0	0	107.4	K321 E327 L328 L852 S859	K321-L323 PolarHBondContact O-N 2.78Å; L323-E327 HydrophobicContact CB-CG 4.4Å; L323-E327 VanDerWaalsContact CD2-CD 3.46Å; L323-E327 HydrophobicContact CD2-CG 4.01Å; L323-E327 WeakPolarHBondContact CD2-OE2 3.47Å; L323-L328 HydrophobicContact CB-CD1 4.45Å; L323-L328 HydrophobicContact CB-CD2 3.72Å; L323-L328 HydrophobicContact CB-CG 3.71Å; L323-L328 HydrophobicContact CD1-CD2 3.65Å; L323-L328 HydrophobicContact CG-CD2 4.34Å; L323-L852 HydrophobicContact CD1-CD2 3.66Å; L323-S859 PolarHBondContact O-OG 2.95Å; L323-S859 VanDerWaalsContact O-OG 3.05Å
324	S	75.9	Confident	62.1	Low	62 Å²	62	83.2 Å²	83.2	43%	0.434	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-60.8	160.1	178.9	73.7	0	0	0	0	110.2	I322 A326 E327 L328	I322-S324 PolarHBondContact O-N 2.83Å; S324-A326 PolarHBondContact O-N 2.9Å; S324-E327 PolarHBondContact O-N 3.23Å; S324-E327 WeakPolarHBondContact OG-CB 3.49Å; S324-E327 PolarHBondContact OG-N 3.04Å; S324-E327 VanDerWaalsContact OG-N 3.11Å; S324-L328 PolarHBondContact O-N 2.9Å
325	L	78	Confident	64	Low	35 Å²	35	76.1 Å²	76.1	18%	0.183	40%	0.399	C	S	.	.	H	α-helix	trans	-55.9	-42.6	-179.9	-162.7	72.9	0	0	0	111.1	L328 D329 L860 W890	L325-L328 PolarHBondContact O-N 2.84Å; L325-D329 WeakPolarHBondContact O-CB 3.48Å; L325-D329 PolarHBondContact O-N 3.08Å; L325-L860 HydrophobicContact CD1-CD2 3.8Å; L325-L860 HydrophobicContact CD1-CG 4.03Å; L325-W890 HydrophobicContact CD1-CH2 3.85Å; L325-W890 HydrophobicContact CD1-CZ2 3.74Å
326	A	77.3	Confident	65.9	Low	57 Å²	57	73.4 Å²	73.4	47%	0.471	39%	0.386	S	S	.	.	H	α-helix	trans	-65.3	-36.4	173.8	0	0	0	0	0	113.6	S324 N330	S324-A326 PolarHBondContact O-N 2.9Å; A326-N330 VanDerWaalsContact O-CB 3.27Å; A326-N330 WeakPolarHBondContact O-CB 3.4Å; A326-N330 PolarHBondContact O-N 3.05Å; A326-N330 PolarHBondContact O-ND2 2.88Å
327	E	78.9	Confident	67.4	Low	46 Å²	46	72.2 Å²	72.2	22%	0.215	38%	0.375	C	S	.	.	H	α-helix	trans	-70.7	-35.8	176.8	-176.1	170.5	-159.2	0	0	112.1	L323 S324 R331	L323-E327 HydrophobicContact CB-CG 4.4Å; L323-E327 VanDerWaalsContact CD2-CD 3.46Å; L323-E327 HydrophobicContact CD2-CG 4.01Å; L323-E327 WeakPolarHBondContact CD2-OE2 3.47Å; S324-E327 PolarHBondContact O-N 3.23Å; S324-E327 WeakPolarHBondContact OG-CB 3.49Å; S324-E327 PolarHBondContact OG-N 3.04Å; S324-E327 VanDerWaalsContact OG-N 3.11Å; E327-R331 WeakPolarHBondContact O-CB 3.47Å; E327-R331 VanDerWaalsContact O-CD 3.28Å; E327-R331 WeakPolarHBondContact O-CD 3.48Å; E327-R331 WeakPolarHBondContact O-CG 3.17Å; E327-R331 PolarHBondContact O-N 2.98Å; E327-R331 IonicContact OE1-CZ 3.4Å; E327-R331 IonicContact OE1-NE 3.92Å; E327-R331 PolarHBondContact OE1-NE 3.46Å; E327-R331 IonicContact OE1-NH2 2.68Å; E327-R331 PolarHBondContact OE1-NH2 2.63Å
328	L	80	Confident	68.7	Low	0 Å²	0	69 Å²	69	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-66.8	-50	171.1	-72	170.8	0	0	0	111.4	L323 S324 L325 N330 R331 Y332 G856 W890 W892	L323-L328 HydrophobicContact CB-CD1 4.45Å; L323-L328 HydrophobicContact CB-CD2 3.72Å; L323-L328 HydrophobicContact CB-CG 3.71Å; L323-L328 HydrophobicContact CD1-CD2 3.65Å; L323-L328 HydrophobicContact CG-CD2 4.34Å; S324-L328 PolarHBondContact O-N 2.9Å; L325-L328 PolarHBondContact O-N 2.84Å; L328-N330 PolarHBondContact O-N 3.23Å; L328-R331 PolarHBondContact O-N 2.73Å; L328-Y332 HydrophobicContact CD2-CD2 4.26Å; L328-Y332 HydrophobicContact CD2-CE2 4.16Å; L328-Y332 PolarHBondContact O-N 2.91Å; L328-G856 VanDerWaalsContact CD1-CA 3.49Å; L328-W890 HydrophobicContact CB-CZ2 3.78Å; L328-W890 HydrophobicContact CD1-CH2 3.99Å; L328-W890 HydrophobicContact CD1-CZ2 3.85Å; L328-W890 HydrophobicContact CG-CZ2 4.47Å; L328-W892 HydrophobicContact CD2-CH2 4.13Å; L328-W892 HydrophobicContact CD2-CZ2 4.19Å
329	D	79.6	Confident	69.5	Low	13 Å²	13	65.9 Å²	65.9	7%	0.07	34%	0.341	C	S	.	.	H	α-helix	trans	-62.1	-26.5	179.3	-70	-10.8	0	0	0	112.9	L325 R772 R889 W890	L325-D329 WeakPolarHBondContact O-CB 3.48Å; L325-D329 PolarHBondContact O-N 3.08Å; D329-R772 PolarHBondContact O-NH1 3.46Å; D329-R889 IonicContact OD1-CZ 3.5Å; D329-R889 IonicContact OD1-NE 2.01Å; D329-R889 PolarHBondContact OD1-NE 2.89Å; D329-R889 IonicContact OD1-NH2 3.99Å; D329-R889 IonicContact OD2-CZ 3.1Å; D329-R889 IonicContact OD2-NE 3.63Å; D329-R889 PolarHBondContact OD2-NE 3.05Å; D329-R889 IonicContact OD2-NH2 3.02Å; D329-R889 PolarHBondContact OD2-NH2 2.81Å; D329-W890 PolarHBondContact OD1-NE1 3.44Å
330	N	75.5	Confident	70.1	Confident	116 Å²	116	61.6 Å²	61.6	62%	0.62	32%	0.315	S	S	*	.	H	α-helix	trans	-85.8	-16.8	174.6	-71.5	-11.2	0	0	0	113.6	A326 L328 R772	A326-N330 VanDerWaalsContact O-CB 3.27Å; A326-N330 WeakPolarHBondContact O-CB 3.4Å; A326-N330 PolarHBondContact O-N 3.05Å; A326-N330 PolarHBondContact O-ND2 2.88Å; L328-N330 PolarHBondContact O-N 3.23Å; N330-R772 PolarHBondContact OD1-NH2 2.96Å
331	R	76.7	Confident	70.3	Confident	132 Å²	132	60.5 Å²	60.5	50%	0.498	31%	0.307	S	S	.	.	H	α-helix	trans	-97.5	-26.1	179.2	-73.9	169.4	-179.7	-116.7	9.8	113.5	E327 L328	E327-R331 WeakPolarHBondContact O-CB 3.47Å; E327-R331 VanDerWaalsContact O-CD 3.28Å; E327-R331 WeakPolarHBondContact O-CD 3.48Å; E327-R331 WeakPolarHBondContact O-CG 3.17Å; E327-R331 PolarHBondContact O-N 2.98Å; E327-R331 IonicContact OE1-CZ 3.4Å; E327-R331 IonicContact OE1-NE 3.92Å; E327-R331 PolarHBondContact OE1-NE 3.46Å; E327-R331 IonicContact OE1-NH2 2.68Å; E327-R331 PolarHBondContact OE1-NH2 2.63Å; L328-R331 PolarHBondContact O-N 2.73Å
332	Y	78.7	Confident	69.6	Low	54 Å²	54	54.2 Å²	54.2	21%	0.212	28%	0.283	C	S	.	.			trans	-130.3	140.3	-174.4	-59.1	-75.2	0	0	0	111.5	L154 L328 L852 W892	L154-Y332 HydrophobicContact CD2-CE1 4.22Å; L328-Y332 HydrophobicContact CD2-CD2 4.26Å; L328-Y332 HydrophobicContact CD2-CE2 4.16Å; L328-Y332 PolarHBondContact O-N 2.91Å; Y332-L852 HydrophobicContact CE2-CD1 4.45Å; Y332-L852 VanDerWaalsContact OH-CD1 3.24Å; Y332-L852 WeakPolarHBondContact OH-CD1 3.32Å; Y332-W892 AromaticContact CD1-NE1 3.73Å; Y332-W892 AromaticContact CD2-CZ2 3.91Å; Y332-W892 HydrophobicContact CD2-CZ2 3.91Å; Y332-W892 HydrophobicContact CE2-CZ2 4.17Å; Y332-W892 HydrophobicContact CG-CZ2 4.33Å; Y332-W892 AromaticContact CG-NE1 3.76Å
333	F	76.3	Confident	68.2	Low	164 Å²	164	56.3 Å²	56.3	72%	0.719	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-97.3	153.5	-178.9	-63.7	-81.2	0	0	0	111.1	W890 G891	F333-W890 CarbonylContact O-C 3.59Å; F333-W890 WeakPolarHBondContact O-CA 3.47Å; F333-G891 PolarHBondContact O-N 3.29Å
334	P	72.5	Confident	66.6	Low	47 Å²	47	61 Å²	61	31%	0.305	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-62	152.1	171.7	28.6	-36.6	0	0	0	110.9	Q336 N888	P334-Q336 PolarHBondContact O-N 2.88Å; P334-N888 VanDerWaalsContact CA-O 3.32Å; P334-N888 WeakPolarHBondContact CA-O 3.45Å; P334-N888 WeakPolarHBondContact CB-O 3.48Å
335	A	69.3	Low	64.5	Low	9 Å²	9	65.6 Å²	65.6	7%	0.074	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-61	133.2	179.2	0	0	0	0	0	112.4	F887	A335-F887 HydrophobicContact CB-CD1 3.76Å; A335-F887 HydrophobicContact CB-CE1 3.2Å; A335-F887 HydrophobicContact CB-CE2 4.03Å; A335-F887 HydrophobicContact CB-CG 4.39Å; A335-F887 HydrophobicContact CB-CZ 3.34Å; A335-F887 WeakPolarHBondContact CB-O 3.37Å
336	Q	67.7	Low	62.4	Low	89 Å²	89	69.7 Å²	69.7	42%	0.416	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-90.3	158.5	163.4	-57.9	-173.7	3.8	0	0	110.5	P334 N338 D339 V340	P334-Q336 PolarHBondContact O-N 2.88Å; Q336-N338 PolarHBondContact O-N 3.4Å; Q336-D339 WeakPolarHBondContact CB-OD2 3.49Å; Q336-D339 PolarHBondContact N-OD2 3.11Å; Q336-D339 WeakPolarHBondContact O-CB 3.39Å; Q336-D339 PolarHBondContact O-N 2.98Å; Q336-V340 PolarHBondContact O-N 3.25Å
337	I	65.2	Low	60.3	Low	29 Å²	29	71.7 Å²	71.7	15%	0.149	36%	0.359	C	S	.	.	H	α-helix	trans	-58.7	-30.1	172.8	-162.2	177	0	0	0	111.7	D339 V340 L341 W938 H940	I337-D339 VanDerWaalsContact C-N 3.34Å; I337-V340 WeakPolarHBondContact O-CB 3.22Å; I337-V340 PolarHBondContact O-N 3.05Å; I337-L341 HydrophobicContact CD1-CD1 4.12Å; I337-L341 HydrophobicContact CG1-CD1 3.78Å; I337-L341 HydrophobicContact CG1-CG 4.29Å; I337-L341 WeakPolarHBondContact O-CB 3.35Å; I337-L341 VanDerWaalsContact O-CG 3.32Å; I337-L341 WeakPolarHBondContact O-CG 3.42Å; I337-L341 PolarHBondContact O-N 3.1Å; I337-W938 HydrophobicContact CB-CD2 4.38Å; I337-W938 HydrophobicContact CB-CH2 4.23Å; I337-W938 HydrophobicContact CB-CZ2 3.71Å; I337-W938 HydrophobicContact CD1-CG 4.38Å; I337-W938 HydrophobicContact CG1-CD2 4.13Å; I337-W938 HydrophobicContact CG1-CG 4.35Å; I337-W938 HydrophobicContact CG1-CZ2 4.34Å; I337-H940 WeakPolarHBondContact CD1-CE1 3.46Å
338	N	60.5	Low	58.2	Low	84 Å²	84	76 Å²	76	45%	0.449	38%	0.383	S	S	.	.	H	α-helix	trans	-72.2	-23.9	175.8	-61.8	-28.7	0	0	0	113.2	Q336 L341	Q336-N338 PolarHBondContact O-N 3.4Å; N338-L341 CarbonylContact O-C 3.58Å
339	D	57.2	Low	56.5	Low	66 Å²	66	81.1 Å²	81.1	35%	0.353	41%	0.41	S	S	.	.	H	α-helix	trans	-71.9	-35	171.4	-65.7	-55.5	0	0	0	110.9	Q336 I337 K893	Q336-D339 WeakPolarHBondContact CB-OD2 3.49Å; Q336-D339 PolarHBondContact N-OD2 3.11Å; Q336-D339 WeakPolarHBondContact O-CB 3.39Å; Q336-D339 PolarHBondContact O-N 2.98Å; I337-D339 VanDerWaalsContact C-N 3.34Å; D339-K893 WeakPolarHBondContact O-CE 3.3Å; D339-K893 PolarHBondContact O-NZ 2.94Å
340	V	57.6	Low	54.7	Low	25 Å²	25	84.7 Å²	84.7	15%	0.152	43%	0.434	C	S	.	.	H	α-helix	trans	-71	-42	172.8	-173.4	0	0	0	0	110.8	Q336 I337 P342 L826 F887 W938	Q336-V340 PolarHBondContact O-N 3.25Å; I337-V340 WeakPolarHBondContact O-CB 3.22Å; I337-V340 PolarHBondContact O-N 3.05Å; V340-P342 VanDerWaalsContact O-CD 3.26Å; V340-P342 WeakPolarHBondContact O-CD 3.31Å; V340-L826 HydrophobicContact CG1-CD1 4.07Å; V340-L826 HydrophobicContact CG1-CD2 3.7Å; V340-L826 HydrophobicContact CG1-CG 4.45Å; V340-F887 HydrophobicContact CG2-CE1 3.58Å; V340-F887 HydrophobicContact CG2-CZ 3.51Å; V340-W938 HydrophobicContact CG2-CE3 4.03Å; V340-W938 HydrophobicContact CG2-CZ3 4.02Å
341	L	53.5	Low	53.3	Low	13 Å²	13	88.2 Å²	88.2	7%	0.068	44%	0.444	C	S	.	.	S	Bend	trans	-115.4	80.4	-170.1	-49.1	-178.8	0	0	0	110.6	I337 N338 I343 K523 Y524	I337-L341 HydrophobicContact CD1-CD1 4.12Å; I337-L341 HydrophobicContact CG1-CD1 3.78Å; I337-L341 HydrophobicContact CG1-CG 4.29Å; I337-L341 WeakPolarHBondContact O-CB 3.35Å; I337-L341 VanDerWaalsContact O-CG 3.32Å; I337-L341 WeakPolarHBondContact O-CG 3.42Å; I337-L341 PolarHBondContact O-N 3.1Å; N338-L341 CarbonylContact O-C 3.58Å; L341-I343 WeakPolarHBondContact O-CG1 3.28Å; L341-I343 PolarHBondContact O-N 3.19Å; L341-I343 VanDerWaalsContact O-N 3.16Å; L341-K523 HydrophobicContact CD1-CD 4.2Å; L341-K523 VanDerWaalsContact CD1-NZ 3.26Å; L341-Y524 HydrophobicContact CD2-CE1 4.32Å; L341-Y524 HydrophobicContact CD2-CE2 3.94Å; L341-Y524 WeakPolarHBondContact CD2-OH 3.44Å
342	P	44.4	Very low	52	Low	38 Å²	38	90.7 Å²	90.7	25%	0.247	46%	0.461	C	S	.	.			trans	-65.6	115.3	-178.2	27	-34.4	0	0	0	111.4	V340 E344	V340-P342 VanDerWaalsContact O-CD 3.26Å; V340-P342 WeakPolarHBondContact O-CD 3.31Å; P342-E344 PolarHBondContact O-N 3.03Å
343	I	36	Very low	51.1	Low	79 Å²	79	90.1 Å²	90.1	41%	0.405	47%	0.465	S	S	.	.			trans	-93.4	90.1	178.4	-51.9	177.1	0	0	0	109.2	L341 F345	L341-I343 WeakPolarHBondContact O-CG1 3.28Å; L341-I343 PolarHBondContact O-N 3.19Å; L341-I343 VanDerWaalsContact O-N 3.16Å; I343-F345 HydrophobicContact CG2-CD2 3.7Å; I343-F345 HydrophobicContact CG2-CE2 3.39Å; I343-F345 HydrophobicContact CG2-CZ 4Å
344	E	36.8	Very low	51	Low	122 Å²	122	85.7 Å²	85.7	57%	0.57	45%	0.454	S	S	*	.			trans	-107.1	96.1	170.2	-71.8	-174.5	128.8	0	0	110.2	P342 I346 S486	P342-E344 PolarHBondContact O-N 3.03Å; E344-I346 PolarHBondContact O-N 3.26Å; E344-S486 WeakPolarHBondContact OE2-CB 3.26Å; E344-S486 PolarHBondContact OE2-OG 2.86Å
345	F	33	Very low	51.3	Low	159 Å²	159	85.7 Å²	85.7	70%	0.697	45%	0.453	S	S	*	.			trans	-70.3	111.6	177.8	-77.5	-76.9	0	0	0	111.9	I343 S347	I343-F345 HydrophobicContact CG2-CD2 3.7Å; I343-F345 HydrophobicContact CG2-CE2 3.39Å; I343-F345 HydrophobicContact CG2-CZ 4Å; F345-S347 VanDerWaalsContact C-N 3.35Å; F345-S347 PolarHBondContact O-N 3.18Å
346	I	33.7	Very low	51.9	Low	122 Å²	122	90.8 Å²	90.8	63%	0.626	48%	0.479	S	S	*	.			trans	-91.1	71.9	166.1	-52.1	-179	0	0	0	108.9	E344 N348	E344-I346 PolarHBondContact O-N 3.26Å; I346-N348 PolarHBondContact O-N 3.48Å
347	S	33.5	Very low	52.7	Low	98 Å²	98	89 Å²	89	69%	0.685	47%	0.471	S	S	*	.			trans	-79.5	53.1	-178.1	65.1	0	0	0	0	113	F345	F345-S347 VanDerWaalsContact C-N 3.35Å; F345-S347 PolarHBondContact O-N 3.18Å
348	N	35.2	Very low	53.7	Low	138 Å²	138	88.2 Å²	88.2	74%	0.738	47%	0.467	S	S	*	.			trans	-140.5	83.1	-176.4	-82.3	-47.2	0	0	0	112.5	I346	I346-N348 PolarHBondContact O-N 3.48Å
349	L	42.8	Very low	55	Low	107 Å²	107	85.5 Å²	85.5	56%	0.56	46%	0.455	S	S	*	.			trans	-105.4	132.2	148	-86.6	78.5	0	0	0	107.8
350	P	43.4	Very low	56.4	Low	87 Å²	87	89 Å²	89	57%	0.565	46%	0.463	S	S	*	.			trans	-69.4	146.5	178.5	29.2	-34.2	0	0	0	111.3	Y416	P350-Y416 HydrophobicContact CG-CD1 4.17Å; P350-Y416 HydrophobicContact CG-CE1 3.48Å; P350-Y416 VanDerWaalsContact CG-CE1 3.48Å
351	K	45.5	Very low	57.9	Low	190 Å²	190	92 Å²	92	83%	0.826	47%	0.472	S	S	*	.			trans	-81.4	146.9	-176.6	-68.5	-177.1	177	-178.7	0	112.6
352	Q	48.4	Very low	59.7	Low	184 Å²	184	91.4 Å²	91.4	86%	0.86	47%	0.468	S	S	*	.			trans	54.4	91.8	153.4	-69.9	170.1	-40	0	0	117.3
353	S	60.7	Low	61.9	Low	42 Å²	42	92.8 Å²	92.8	29%	0.294	47%	0.471	S	S	.	.			trans	-79.5	154.9	138.7	-58.4	0	0	0	0	109
354	S	74.4	Confident	64.3	Low	71 Å²	71	92.3 Å²	92.3	50%	0.497	48%	0.475	S	S	.	.			trans	-68.9	148.9	170.2	55.9	0	0	0	0	111.1	D356 E357 L358	S354-D356 VanDerWaalsContact C-N 3.32Å; S354-D356 PolarHBondContact O-N 2.82Å; S354-E357 PolarHBondContact O-N 3.48Å; S354-E357 WeakPolarHBondContact OG-CB 3.18Å; S354-L358 PolarHBondContact O-N 2.8Å; S354-L358 VanDerWaalsContact O-N 3.15Å
355	V	78.6	Confident	66.7	Low	47 Å²	47	86.8 Å²	86.8	29%	0.285	45%	0.449	S	S	.	.	H	α-helix	trans	-60.2	-42.8	-177.3	-178.4	0	0	0	0	110.7	E357 L358 S359 L567	V355-E357 VanDerWaalsContact C-N 3.28Å; V355-E357 PolarHBondContact O-N 3.4Å; V355-L358 CarbonylContact O-C 3.51Å; V355-L358 WeakPolarHBondContact O-CA 3.45Å; V355-L358 WeakPolarHBondContact O-CB 3.38Å; V355-L358 PolarHBondContact O-N 2.95Å; V355-S359 PolarHBondContact O-N 3.22Å; V355-S359 PolarHBondContact O-OG 3.12Å; V355-L567 HydrophobicContact CG1-CD1 3.91Å; V355-L567 HydrophobicContact CG2-CD1 4.25Å
356	D	81.8	Confident	69.4	Low	117 Å²	117	79.2 Å²	79.2	63%	0.626	42%	0.416	S	S	*	.	H	α-helix	trans	-63.2	-31.5	-179.7	-43.2	-58.4	0	0	0	113.5	S354 R360	S354-D356 VanDerWaalsContact C-N 3.32Å; S354-D356 PolarHBondContact O-N 2.82Å; D356-R360 WeakPolarHBondContact O-CB 3.24Å; D356-R360 WeakPolarHBondContact O-CG 3.28Å; D356-R360 PolarHBondContact O-N 2.95Å; D356-R360 PolarHBondContact O-NE 3.21Å
357	E	84.4	Confident	71.9	Confident	50 Å²	50	79.2 Å²	79.2	23%	0.234	41%	0.414	C	S	.	.	H	α-helix	trans	-73.4	-37.7	174.5	179.3	63.7	-160.6	0	0	111.1	S354 V355 R360 R361	S354-E357 PolarHBondContact O-N 3.48Å; S354-E357 WeakPolarHBondContact OG-CB 3.18Å; V355-E357 VanDerWaalsContact C-N 3.28Å; V355-E357 PolarHBondContact O-N 3.4Å; E357-R360 IonicContact OE2-CZ 2.7Å; E357-R360 IonicContact OE2-NH1 4Å; E357-R360 PolarHBondContact OE2-NH1 2.95Å; E357-R360 IonicContact OE2-NH2 2.76Å; E357-R360 PolarHBondContact OE2-NH2 3.5Å; E357-R361 VanDerWaalsContact O-CG 3.28Å; E357-R361 WeakPolarHBondContact O-CG 3.45Å; E357-R361 PolarHBondContact O-N 2.95Å; E357-R361 VanDerWaalsContact O-N 3.12Å; E357-R361 IonicContact OE1-CZ 2.66Å; E357-R361 IonicContact OE1-NE 3.31Å; E357-R361 PolarHBondContact OE1-NE 3.1Å; E357-R361 IonicContact OE1-NH2 3.39Å; E357-R361 PolarHBondContact OE1-NH2 3.16Å
358	L	86.1	Confident	74.3	Confident	13 Å²	13	79.4 Å²	79.4	7%	0.068	41%	0.407	C	S	.	.	H	α-helix	trans	-66.2	-48.7	172.7	-65.1	176.8	0	0	0	111.1	S354 V355 R360 R361 V362 L383 L386 L387	S354-L358 PolarHBondContact O-N 2.8Å; S354-L358 VanDerWaalsContact O-N 3.15Å; V355-L358 CarbonylContact O-C 3.51Å; V355-L358 WeakPolarHBondContact O-CA 3.45Å; V355-L358 WeakPolarHBondContact O-CB 3.38Å; V355-L358 PolarHBondContact O-N 2.95Å; L358-R360 PolarHBondContact O-N 3.4Å; L358-R361 PolarHBondContact O-N 3.07Å; L358-V362 WeakPolarHBondContact O-CB 3.4Å; L358-V362 VanDerWaalsContact O-CG2 3.24Å; L358-V362 WeakPolarHBondContact O-CG2 3.3Å; L358-V362 PolarHBondContact O-N 3.42Å; L358-L383 HydrophobicContact CB-CD2 3.98Å; L358-L386 HydrophobicContact CB-CD1 4.46Å; L358-L386 HydrophobicContact CD1-CB 4.32Å; L358-L386 HydrophobicContact CD2-CD1 4.41Å; L358-L387 HydrophobicContact CD1-CD2 4Å; L358-L387 HydrophobicContact CD1-CG 4.47Å
359	S	87.3	Confident	76.6	Confident	28 Å²	28	73.5 Å²	73.5	20%	0.196	38%	0.375	C	S	.	.	H	α-helix	trans	-60.4	-43.1	178.4	-63.3	0	0	0	0	112.2	V355 R361 V362 Q363	V355-S359 PolarHBondContact O-N 3.22Å; V355-S359 PolarHBondContact O-OG 3.12Å; S359-R361 PolarHBondContact O-N 2.99Å; S359-V362 PolarHBondContact O-N 3.24Å; S359-Q363 WeakPolarHBondContact O-CB 3.32Å; S359-Q363 PolarHBondContact O-N 3.03Å
360	R	88	Confident	78.5	Confident	138 Å²	138	71.5 Å²	71.5	52%	0.521	38%	0.38	S	S	.	.	H	α-helix	trans	-60.8	-44.1	173.9	-79.5	-175.5	-73	96.9	3.2	112.3	D356 E357 L358 Q363 C364	D356-R360 WeakPolarHBondContact O-CB 3.24Å; D356-R360 WeakPolarHBondContact O-CG 3.28Å; D356-R360 PolarHBondContact O-N 2.95Å; D356-R360 PolarHBondContact O-NE 3.21Å; E357-R360 IonicContact OE2-CZ 2.7Å; E357-R360 IonicContact OE2-NH1 4Å; E357-R360 PolarHBondContact OE2-NH1 2.95Å; E357-R360 IonicContact OE2-NH2 2.76Å; E357-R360 PolarHBondContact OE2-NH2 3.5Å; L358-R360 PolarHBondContact O-N 3.4Å; R360-Q363 PolarHBondContact O-N 3.41Å; R360-C364 PolarHBondContact O-N 3.23Å; R360-C364 PolarHBondContact O-SG 2.85Å
361	R	88.9	Confident	80.4	Confident	90 Å²	90	71.7 Å²	71.7	34%	0.34	37%	0.372	S	S	.	.	H	α-helix	trans	-64.3	-41	175.8	-72.2	175	-169.4	-163.9	5.2	112.7	E357 L358 S359 Q363 C364 C365 I411	E357-R361 VanDerWaalsContact O-CG 3.28Å; E357-R361 WeakPolarHBondContact O-CG 3.45Å; E357-R361 PolarHBondContact O-N 2.95Å; E357-R361 VanDerWaalsContact O-N 3.12Å; E357-R361 IonicContact OE1-CZ 2.66Å; E357-R361 IonicContact OE1-NE 3.31Å; E357-R361 PolarHBondContact OE1-NE 3.1Å; E357-R361 IonicContact OE1-NH2 3.39Å; E357-R361 PolarHBondContact OE1-NH2 3.16Å; L358-R361 PolarHBondContact O-N 3.07Å; S359-R361 PolarHBondContact O-N 2.99Å; R361-Q363 VanDerWaalsContact C-N 3.34Å; R361-C364 PolarHBondContact O-N 3.17Å; R361-C365 WeakPolarHBondContact O-CB 3.15Å; R361-C365 PolarHBondContact O-N 2.89Å; R361-C365 PolarHBondContact O-SG 3.35Å; R361-I411 HydrophobicContact CB-CD1 4.47Å
362	V	90.7	Very high	82.2	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-61.4	-42.2	176.8	164.9	0	0	0	0	110.9	L358 S359 C365 L366 F374 I382 L383 L386 I407 I411	L358-V362 WeakPolarHBondContact O-CB 3.4Å; L358-V362 VanDerWaalsContact O-CG2 3.24Å; L358-V362 WeakPolarHBondContact O-CG2 3.3Å; L358-V362 PolarHBondContact O-N 3.42Å; S359-V362 PolarHBondContact O-N 3.24Å; V362-C365 PolarHBondContact O-N 2.95Å; V362-L366 PolarHBondContact O-N 3.07Å; V362-F374 HydrophobicContact CG1-CE1 4.46Å; V362-F374 HydrophobicContact CG1-CE2 3.68Å; V362-F374 HydrophobicContact CG1-CZ 3.39Å; V362-I382 HydrophobicContact CB-CG2 4.46Å; V362-I382 HydrophobicContact CG1-CG2 3.89Å; V362-I382 HydrophobicContact CG2-CG2 3.62Å; V362-L383 HydrophobicContact CG2-CD2 4.25Å; V362-L386 HydrophobicContact CG2-CD1 3.39Å; V362-I407 HydrophobicContact CG1-CG2 4.36Å; V362-I407 HydrophobicContact CG2-CG2 4.24Å; V362-I411 HydrophobicContact CG2-CD1 3.7Å
363	Q	90.2	Very high	84.2	Confident	66 Å²	66	66.5 Å²	66.5	31%	0.308	36%	0.36	S	S	.	.	H	α-helix	trans	-71.1	-38.2	177.1	-171.2	63.5	2.7	0	0	112.9	S359 R360 R361 L366 Q367	S359-Q363 WeakPolarHBondContact O-CB 3.32Å; S359-Q363 PolarHBondContact O-N 3.03Å; R360-Q363 PolarHBondContact O-N 3.41Å; R361-Q363 VanDerWaalsContact C-N 3.34Å; Q363-L366 WeakPolarHBondContact O-CB 3.5Å; Q363-L366 PolarHBondContact O-N 2.94Å; Q363-Q367 WeakPolarHBondContact O-CG 3.44Å; Q363-Q367 PolarHBondContact O-N 3.46Å
364	C	87.8	Confident	85.5	Confident	70 Å²	70	66 Å²	66	47%	0.473	35%	0.353	S	S	.	.	H	α-helix	trans	-61.1	-46.7	170.6	-67.1	0	0	0	0	111.3	R360 R361 L366 Q367 D368	R360-C364 PolarHBondContact O-N 3.23Å; R360-C364 PolarHBondContact O-SG 2.85Å; R361-C364 PolarHBondContact O-N 3.17Å; C364-L366 VanDerWaalsContact C-N 3.26Å; C364-L366 PolarHBondContact O-N 3.01Å; C364-Q367 PolarHBondContact O-N 3.15Å; C364-Q367 VanDerWaalsContact O-N 3.12Å; C364-D368 PolarHBondContact O-N 3.37Å
365	C	87.5	Confident	86.2	Confident	6 Å²	6	68.1 Å²	68.1	4%	0.041	35%	0.35	C	S	.	.	H	α-helix	trans	-60.7	-34.9	176.4	-67.5	0	0	0	0	112.2	R361 V362 Q367 D368 L369 I407	R361-C365 WeakPolarHBondContact O-CB 3.15Å; R361-C365 PolarHBondContact O-N 2.89Å; R361-C365 PolarHBondContact O-SG 3.35Å; V362-C365 PolarHBondContact O-N 2.95Å; C365-Q367 VanDerWaalsContact C-N 3.34Å; C365-D368 PolarHBondContact O-N 3.5Å; C365-L369 WeakPolarHBondContact O-CB 3.39Å; C365-L369 WeakPolarHBondContact O-CD1 3.44Å; C365-L369 WeakPolarHBondContact O-CG 3.35Å; C365-L369 PolarHBondContact O-N 2.83Å; C365-I407 HydrophobicContact CB-CG2 4.12Å
366	L	88.5	Confident	86.7	Confident	0 Å²	0	69 Å²	69	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-62.5	-42.4	175.8	-172.8	70	0	0	0	111.7	V362 Q363 C364 L369 G370 F371 F374 I407	V362-L366 PolarHBondContact O-N 3.07Å; Q363-L366 WeakPolarHBondContact O-CB 3.5Å; Q363-L366 PolarHBondContact O-N 2.94Å; C364-L366 VanDerWaalsContact C-N 3.26Å; C364-L366 PolarHBondContact O-N 3.01Å; L366-L369 PolarHBondContact O-N 3.49Å; L366-G370 PolarHBondContact O-N 3.43Å; L366-F371 HydrophobicContact CD1-CB 3.55Å; L366-F371 HydrophobicContact CD1-CD2 4.36Å; L366-F371 HydrophobicContact CD1-CG 4.21Å; L366-F371 HydrophobicContact CG-CB 3.81Å; L366-F371 PolarHBondContact O-N 3.04Å; L366-F374 HydrophobicContact CB-CE2 4.36Å; L366-F374 HydrophobicContact CB-CZ 3.96Å; L366-F374 HydrophobicContact CD1-CD1 4.07Å; L366-F374 HydrophobicContact CD1-CE1 3.63Å; L366-F374 HydrophobicContact CD1-CZ 3.9Å; L366-F374 HydrophobicContact CD2-CD1 4.27Å; L366-F374 HydrophobicContact CD2-CD2 3.87Å; L366-F374 HydrophobicContact CD2-CE1 4.16Å; L366-F374 HydrophobicContact CD2-CE2 3.74Å; L366-F374 HydrophobicContact CD2-CG 4.12Å; L366-F374 HydrophobicContact CD2-CZ 3.87Å; L366-F374 HydrophobicContact CG-CE1 4.32Å; L366-F374 HydrophobicContact CG-CE2 4.44Å; L366-F374 HydrophobicContact CG-CZ 4.12Å; L366-I407 HydrophobicContact CD1-CD1 4.17Å
367	Q	87	Confident	87.1	Confident	122 Å²	122	63.6 Å²	63.6	57%	0.57	33%	0.329	S	S	*	.	H	α-helix	trans	-68.1	-42.7	176.8	-67	174.4	-4.4	0	0	111.8	Q363 C364 C365 L369 G370	Q363-Q367 WeakPolarHBondContact O-CG 3.44Å; Q363-Q367 PolarHBondContact O-N 3.46Å; C364-Q367 PolarHBondContact O-N 3.15Å; C364-Q367 VanDerWaalsContact O-N 3.12Å; C365-Q367 VanDerWaalsContact C-N 3.34Å; Q367-L369 PolarHBondContact O-N 2.91Å; Q367-G370 WeakPolarHBondContact O-CA 3.4Å; Q367-G370 PolarHBondContact O-N 2.89Å
368	D	83.9	Confident	87.6	Confident	102 Å²	102	61.4 Å²	61.4	55%	0.545	32%	0.318	S	S	.	.	H	α-helix	trans	-60.2	-33.4	174.8	-71.8	-32.7	0	0	0	112.8	C364 C365 G370	C364-D368 PolarHBondContact O-N 3.37Å; C365-D368 PolarHBondContact O-N 3.5Å; D368-G370 VanDerWaalsContact C-N 3.28Å
369	L	82.6	Confident	88	Confident	13 Å²	13	63.5 Å²	63.5	7%	0.068	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-5	175.1	-64.6	169.8	0	0	0	113.2	C365 L366 Q367 F371 L403 I407 I438 L441	C365-L369 WeakPolarHBondContact O-CB 3.39Å; C365-L369 WeakPolarHBondContact O-CD1 3.44Å; C365-L369 WeakPolarHBondContact O-CG 3.35Å; C365-L369 PolarHBondContact O-N 2.83Å; L366-L369 PolarHBondContact O-N 3.49Å; Q367-L369 PolarHBondContact O-N 2.91Å; L369-F371 HydrophobicContact CB-CD2 3.88Å; L369-F371 HydrophobicContact CB-CE2 4.09Å; L369-F371 WeakPolarHBondContact O-CD2 3.44Å; L369-F371 WeakPolarHBondContact O-CE2 3.06Å; L369-L403 HydrophobicContact CD1-CD2 4.18Å; L369-I407 HydrophobicContact CD1-CD1 4.03Å; L369-I407 HydrophobicContact CD1-CG1 3.49Å; L369-I407 VanDerWaalsContact CD1-CG1 3.49Å; L369-I438 HydrophobicContact CB-CG2 4.11Å; L369-I438 HydrophobicContact CD2-CB 3.84Å; L369-I438 HydrophobicContact CD2-CD1 4.32Å; L369-I438 HydrophobicContact CD2-CG2 3.43Å; L369-I438 VanDerWaalsContact CD2-CG2 3.43Å; L369-I438 HydrophobicContact CG-CG2 4.36Å; L369-L441 HydrophobicContact CD2-CB 4.45Å
370	G	82.5	Confident	88.3	Confident	65 Å²	65	62.2 Å²	62.2	67%	0.67	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	27.6	175.1	0	0	0	0	0	115.6	L366 Q367 D368	L366-G370 PolarHBondContact O-N 3.43Å; Q367-G370 WeakPolarHBondContact O-CA 3.4Å; Q367-G370 PolarHBondContact O-N 2.89Å; D368-G370 VanDerWaalsContact C-N 3.28Å
371	F	83.9	Confident	88.6	Confident	91 Å²	91	55.6 Å²	55.6	40%	0.399	29%	0.294	S	S	.	.			trans	-115.2	142.2	177.7	-61.5	-88.9	0	0	0	111.6	L366 L369 L403	L366-F371 HydrophobicContact CD1-CB 3.55Å; L366-F371 HydrophobicContact CD1-CD2 4.36Å; L366-F371 HydrophobicContact CD1-CG 4.21Å; L366-F371 HydrophobicContact CG-CB 3.81Å; L366-F371 PolarHBondContact O-N 3.04Å; L369-F371 HydrophobicContact CB-CD2 3.88Å; L369-F371 HydrophobicContact CB-CE2 4.09Å; L369-F371 WeakPolarHBondContact O-CD2 3.44Å; L369-F371 WeakPolarHBondContact O-CE2 3.06Å; F371-L403 HydrophobicContact CD1-CD1 4.44Å; F371-L403 HydrophobicContact CD2-CD1 4.36Å; F371-L403 HydrophobicContact CD2-CD2 4.26Å; F371-L403 HydrophobicContact CE1-CD1 4.28Å; F371-L403 HydrophobicContact CE2-CD1 4.21Å; F371-L403 HydrophobicContact CE2-CD2 3.79Å; F371-L403 HydrophobicContact CG-CD1 4.48Å; F371-L403 HydrophobicContact CZ-CD1 4.17Å; F371-L403 HydrophobicContact CZ-CD2 4.27Å
372	E	84.1	Confident	88.9	Confident	180 Å²	180	51.3 Å²	51.3	84%	0.841	28%	0.278	S	S	*	.	S	Bend	trans	-82.4	-37.2	-176.9	-63	174	175	0	0	113
373	S	88.6	Confident	89	Confident	85 Å²	85	51.4 Å²	51.4	59%	0.594	28%	0.278	S	S	*	.			trans	-155.6	156.1	-173.9	58.6	0	0	0	0	112.8
374	F	89.8	Confident	89.1	Confident	33 Å²	33	48.2 Å²	48.2	15%	0.145	26%	0.263	C	S	.	.			trans	-75.8	147.9	171.7	-71.8	-67.9	0	0	0	111.6	V362 L366 Q378 E379 I382 I407	V362-F374 HydrophobicContact CG1-CE1 4.46Å; V362-F374 HydrophobicContact CG1-CE2 3.68Å; V362-F374 HydrophobicContact CG1-CZ 3.39Å; L366-F374 HydrophobicContact CB-CE2 4.36Å; L366-F374 HydrophobicContact CB-CZ 3.96Å; L366-F374 HydrophobicContact CD1-CD1 4.07Å; L366-F374 HydrophobicContact CD1-CE1 3.63Å; L366-F374 HydrophobicContact CD1-CZ 3.9Å; L366-F374 HydrophobicContact CD2-CD1 4.27Å; L366-F374 HydrophobicContact CD2-CD2 3.87Å; L366-F374 HydrophobicContact CD2-CE1 4.16Å; L366-F374 HydrophobicContact CD2-CE2 3.74Å; L366-F374 HydrophobicContact CD2-CG 4.12Å; L366-F374 HydrophobicContact CD2-CZ 3.87Å; L366-F374 HydrophobicContact CG-CE1 4.32Å; L366-F374 HydrophobicContact CG-CE2 4.44Å; L366-F374 HydrophobicContact CG-CZ 4.12Å; F374-Q378 HydrophobicContact CB-CB 4.32Å; F374-Q378 HydrophobicContact CD1-CB 3.88Å; F374-Q378 HydrophobicContact CG-CB 4.48Å; F374-E379 HydrophobicContact CB-CB 4.3Å; F374-E379 HydrophobicContact CD2-CB 3.74Å; F374-E379 HydrophobicContact CD2-CG 3.98Å; F374-E379 HydrophobicContact CE2-CB 4.22Å; F374-E379 HydrophobicContact CE2-CG 4.09Å; F374-E379 HydrophobicContact CG-CB 3.93Å; F374-I382 HydrophobicContact CD1-CD1 4.21Å; F374-I382 HydrophobicContact CE1-CD1 3.44Å; F374-I382 VanDerWaalsContact CE1-CD1 3.44Å; F374-I382 HydrophobicContact CZ-CD1 4.04Å; F374-I407 HydrophobicContact CE1-CD1 3.8Å; F374-I407 HydrophobicContact CZ-CD1 4.07Å
375	R	88.8	Confident	89.3	Confident	114 Å²	114	45 Å²	45	43%	0.43	24%	0.241	S	C	.	.			trans	-80.4	155.3	163.2	-56.7	-176	-177.3	179.8	5.9	109.9	G377 Q378 A398 F399	R375-G377 PolarHBondContact O-N 2.98Å; R375-Q378 HydrophobicContact CB-CG 4.16Å; R375-Q378 VanDerWaalsContact CB-OE1 3.28Å; R375-Q378 WeakPolarHBondContact O-CB 3.47Å; R375-Q378 WeakPolarHBondContact O-CG 3.45Å; R375-Q378 PolarHBondContact O-N 3.49Å; R375-A398 PolarHBondContact NH1-O 2.89Å; R375-F399 HydrophobicContact CB-CE1 3.87Å; R375-F399 HydrophobicContact CB-CZ 3.96Å
376	P	88.4	Confident	89.5	Confident	66 Å²	66	45.6 Å²	45.6	43%	0.429	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.9	130	-177.4	-34	37.8	0	0	0	113.8	Q378 F399 P575	P376-Q378 VanDerWaalsContact C-N 3.25Å; P376-Q378 PolarHBondContact O-N 3.45Å; P376-F399 WeakPolarHBondContact O-CE1 3.24Å; P376-P575 HydrophobicContact CB-CB 3.81Å; P376-P575 WeakPolarHBondContact O-CB 3.2Å; P376-P575 WeakPolarHBondContact O-CG 3.28Å
377	G	91.3	Very high	89.6	Confident	3 Å²	3	48 Å²	48	3%	0.031	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	-7.1	-179.2	0	0	0	0	0	117.5	R375 V381 G559	R375-G377 PolarHBondContact O-N 2.98Å; G377-V381 WeakPolarHBondContact O-CG2 3.35Å; G377-V381 PolarHBondContact O-N 3.36Å; G377-V381 VanDerWaalsContact O-N 3.16Å; G377-G559 PolarHBondContact N-O 3.14Å
378	Q	93.5	Very high	89.6	Confident	4 Å²	4	43.8 Å²	43.8	2%	0.019	25%	0.246	C	C	.	.	H	α-helix	trans	-63.5	-47	176.2	-69.6	-169.5	-74.8	0	0	112	F374 R375 P376 L380 V381 I382 M395 G400	F374-Q378 HydrophobicContact CB-CB 4.32Å; F374-Q378 HydrophobicContact CD1-CB 3.88Å; F374-Q378 HydrophobicContact CG-CB 4.48Å; R375-Q378 HydrophobicContact CB-CG 4.16Å; R375-Q378 VanDerWaalsContact CB-OE1 3.28Å; R375-Q378 WeakPolarHBondContact O-CB 3.47Å; R375-Q378 WeakPolarHBondContact O-CG 3.45Å; R375-Q378 PolarHBondContact O-N 3.49Å; P376-Q378 VanDerWaalsContact C-N 3.25Å; P376-Q378 PolarHBondContact O-N 3.45Å; Q378-L380 PolarHBondContact O-N 2.75Å; Q378-V381 PolarHBondContact O-N 2.61Å; Q378-I382 WeakPolarHBondContact O-CG1 3.46Å; Q378-I382 PolarHBondContact O-N 2.8Å; Q378-M395 HydrophobicContact CG-CE 4.29Å; Q378-M395 HydrophobicContact CG-SD 4.49Å; Q378-G400 PolarHBondContact NE2-O 2.94Å
379	E	93.9	Very high	89.9	Confident	57 Å²	57	40.4 Å²	40.4	27%	0.266	23%	0.227	S	C	.	.	H	α-helix	trans	-60.5	-44.8	178.8	-170.4	-179.5	170.8	0	0	111.6	F374 V381 I382 L383 I562	F374-E379 HydrophobicContact CB-CB 4.3Å; F374-E379 HydrophobicContact CD2-CB 3.74Å; F374-E379 HydrophobicContact CD2-CG 3.98Å; F374-E379 HydrophobicContact CE2-CB 4.22Å; F374-E379 HydrophobicContact CE2-CG 4.09Å; F374-E379 HydrophobicContact CG-CB 3.93Å; E379-V381 VanDerWaalsContact C-N 3.33Å; E379-V381 PolarHBondContact O-N 3.01Å; E379-I382 PolarHBondContact O-N 3.24Å; E379-I382 VanDerWaalsContact O-N 3.13Å; E379-L383 HydrophobicContact CG-CD1 4.02Å; E379-L383 HydrophobicContact CG-CG 4.39Å; E379-L383 WeakPolarHBondContact O-CG 3.44Å; E379-L383 PolarHBondContact O-N 2.97Å; E379-I562 HydrophobicContact CB-CD1 4.01Å; E379-I562 HydrophobicContact CG-CD1 3.76Å
380	L	93.8	Very high	90.5	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-57.9	-43	176.6	-178.9	61.8	0	0	0	112.1	Q378 R384 F557 I562 L567 V573	Q378-L380 PolarHBondContact O-N 2.75Å; L380-R384 HydrophobicContact CD1-CG 4.2Å; L380-R384 WeakPolarHBondContact O-CB 3.34Å; L380-R384 WeakPolarHBondContact O-CG 3.31Å; L380-R384 PolarHBondContact O-N 2.95Å; L380-F557 HydrophobicContact CD2-CB 3.92Å; L380-I562 HydrophobicContact CB-CG1 4.43Å; L380-I562 HydrophobicContact CD1-CG1 4.47Å; L380-I562 HydrophobicContact CD1-CG2 4.32Å; L380-L567 HydrophobicContact CD1-CD2 3.97Å; L380-L567 HydrophobicContact CD1-CG 4.47Å; L380-V573 HydrophobicContact CD2-CG1 4.45Å; L380-V573 HydrophobicContact CD2-CG2 3.94Å; L380-V573 HydrophobicContact CG-CG2 4.2Å
381	V	94.9	Very high	91.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.7	-41	176.6	173.9	0	0	0	0	111.4	G377 Q378 E379 T385 T391 A393 M395 C404 L531 V573	G377-V381 WeakPolarHBondContact O-CG2 3.35Å; G377-V381 PolarHBondContact O-N 3.36Å; G377-V381 VanDerWaalsContact O-N 3.16Å; Q378-V381 PolarHBondContact O-N 2.61Å; E379-V381 VanDerWaalsContact C-N 3.33Å; E379-V381 PolarHBondContact O-N 3.01Å; V381-T385 WeakPolarHBondContact O-CB 3.45Å; V381-T385 PolarHBondContact O-N 3.37Å; V381-T385 PolarHBondContact O-OG1 3.49Å; V381-T391 HydrophobicContact CG2-CG2 4.45Å; V381-A393 HydrophobicContact CG1-CB 4.2Å; V381-A393 HydrophobicContact CG2-CB 3.77Å; V381-M395 HydrophobicContact CG2-CE 3.89Å; V381-C404 HydrophobicContact CG1-CB 3.83Å; V381-L531 HydrophobicContact CG1-CD1 3.42Å; V381-L531 VanDerWaalsContact CG1-CD1 3.42Å; V381-L531 HydrophobicContact CG1-CD2 4.43Å; V381-V573 HydrophobicContact CG2-CB 3.61Å; V381-V573 HydrophobicContact CG2-CG1 3.9Å; V381-V573 HydrophobicContact CG2-CG2 3.66Å
382	I	94.6	Very high	91.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.4	-50.1	178.4	-69.1	162.4	0	0	0	110.6	V362 F374 Q378 E379 R384 T385 L386 I407	V362-I382 HydrophobicContact CB-CG2 4.46Å; V362-I382 HydrophobicContact CG1-CG2 3.89Å; V362-I382 HydrophobicContact CG2-CG2 3.62Å; F374-I382 HydrophobicContact CD1-CD1 4.21Å; F374-I382 HydrophobicContact CE1-CD1 3.44Å; F374-I382 VanDerWaalsContact CE1-CD1 3.44Å; F374-I382 HydrophobicContact CZ-CD1 4.04Å; Q378-I382 WeakPolarHBondContact O-CG1 3.46Å; Q378-I382 PolarHBondContact O-N 2.8Å; E379-I382 PolarHBondContact O-N 3.24Å; E379-I382 VanDerWaalsContact O-N 3.13Å; I382-R384 PolarHBondContact O-N 2.89Å; I382-T385 WeakPolarHBondContact O-CB 3.46Å; I382-T385 PolarHBondContact O-N 2.73Å; I382-T385 VanDerWaalsContact O-N 3.17Å; I382-L386 HydrophobicContact CG2-CD1 4.05Å; I382-L386 HydrophobicContact CG2-CG 4.5Å; I382-L386 WeakPolarHBondContact O-CG 3.4Å; I382-L386 PolarHBondContact O-N 2.87Å; I382-I407 HydrophobicContact CD1-CB 4.19Å; I382-I407 HydrophobicContact CD1-CD1 3.81Å; I382-I407 HydrophobicContact CD1-CG2 4.47Å; I382-I407 HydrophobicContact CG2-CB 4.38Å; I382-I407 HydrophobicContact CG2-CG2 3.86Å
383	L	93	Very high	92.2	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-62.4	-43.8	179.7	-68.7	173	0	0	0	111.8	L358 V362 E379 T385 L386 L387 I562 L567	L358-L383 HydrophobicContact CB-CD2 3.98Å; V362-L383 HydrophobicContact CG2-CD2 4.25Å; E379-L383 HydrophobicContact CG-CD1 4.02Å; E379-L383 HydrophobicContact CG-CG 4.39Å; E379-L383 WeakPolarHBondContact O-CG 3.44Å; E379-L383 PolarHBondContact O-N 2.97Å; L383-T385 VanDerWaalsContact C-N 3.3Å; L383-T385 PolarHBondContact O-N 2.73Å; L383-L386 PolarHBondContact O-N 2.91Å; L383-L387 VanDerWaalsContact O-CG 3.31Å; L383-L387 WeakPolarHBondContact O-CG 3.43Å; L383-L387 PolarHBondContact O-N 2.83Å; L383-I562 HydrophobicContact CD1-CD1 4.14Å; L383-I562 HydrophobicContact CD1-CG2 4Å; L383-L567 HydrophobicContact CB-CD2 3.72Å; L383-L567 HydrophobicContact CD1-CD2 4.34Å
384	R	93.1	Very high	92.4	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.1	-40.8	173.7	-71.9	173.9	63.9	92.3	7.5	112.2	L380 I382 L387 G388 I389 T391 T566 L567 Q569	L380-R384 HydrophobicContact CD1-CG 4.2Å; L380-R384 WeakPolarHBondContact O-CB 3.34Å; L380-R384 WeakPolarHBondContact O-CG 3.31Å; L380-R384 PolarHBondContact O-N 2.95Å; I382-R384 PolarHBondContact O-N 2.89Å; R384-L387 PolarHBondContact O-N 3.3Å; R384-G388 PolarHBondContact O-N 3.42Å; R384-I389 HydrophobicContact CB-CB 4.41Å; R384-I389 WeakPolarHBondContact O-CB 3.45Å; R384-I389 PolarHBondContact O-N 3.39Å; R384-T391 PolarHBondContact NE-OG1 3.31Å; R384-T391 PolarHBondContact NH2-OG1 3.04Å; R384-T566 PolarHBondContact NH1-O 3.28Å; R384-L567 HydrophobicContact CG-CD2 4.39Å; R384-L567 PolarHBondContact NH1-O 3.01Å; R384-Q569 PolarHBondContact NH1-O 3.47Å; R384-Q569 PolarHBondContact NH2-O 3.39Å
385	T	92.5	Very high	92.5	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.006	11%	0.107	C	C	.	.	H	α-helix	trans	-66.7	-38.9	176.8	-54	0	0	0	0	112.1	V381 I382 L383 L387 G388 P408 F494 L531	V381-T385 WeakPolarHBondContact O-CB 3.45Å; V381-T385 PolarHBondContact O-N 3.37Å; V381-T385 PolarHBondContact O-OG1 3.49Å; I382-T385 WeakPolarHBondContact O-CB 3.46Å; I382-T385 PolarHBondContact O-N 2.73Å; I382-T385 VanDerWaalsContact O-N 3.17Å; L383-T385 VanDerWaalsContact C-N 3.3Å; L383-T385 PolarHBondContact O-N 2.73Å; T385-L387 VanDerWaalsContact C-N 3.35Å; T385-G388 PolarHBondContact O-N 2.96Å; T385-G388 VanDerWaalsContact O-N 3.16Å; T385-P408 HydrophobicContact CG2-CB 3.99Å; T385-P408 HydrophobicContact CG2-CG 3.95Å; T385-F494 HydrophobicContact CG2-CB 4.42Å; T385-F494 HydrophobicContact CG2-CD1 3.9Å; T385-F494 HydrophobicContact CG2-CD2 3.65Å; T385-F494 HydrophobicContact CG2-CE1 4.02Å; T385-F494 HydrophobicContact CG2-CE2 3.78Å; T385-F494 HydrophobicContact CG2-CG 3.72Å; T385-F494 HydrophobicContact CG2-CZ 3.97Å; T385-L531 HydrophobicContact CG2-CD2 4.45Å
386	L	91.4	Very high	92.4	Very high	20 Å²	20	14.8 Å²	14.8	11%	0.105	9%	0.091	C	C	.	.	H	α-helix	trans	-67.2	-32.6	173.8	-70.5	172	0	0	0	113	L358 V362 I382 L383 G388 P408 I411 H412	L358-L386 HydrophobicContact CB-CD1 4.46Å; L358-L386 HydrophobicContact CD1-CB 4.32Å; L358-L386 HydrophobicContact CD2-CD1 4.41Å; V362-L386 HydrophobicContact CG2-CD1 3.39Å; I382-L386 HydrophobicContact CG2-CD1 4.05Å; I382-L386 HydrophobicContact CG2-CG 4.5Å; I382-L386 WeakPolarHBondContact O-CG 3.4Å; I382-L386 PolarHBondContact O-N 2.87Å; L383-L386 PolarHBondContact O-N 2.91Å; L386-G388 PolarHBondContact O-N 3.28Å; L386-P408 HydrophobicContact CD2-CB 3.77Å; L386-P408 HydrophobicContact CG-CB 4.03Å; L386-I411 HydrophobicContact CD1-CD1 4Å; L386-I411 HydrophobicContact CD2-CB 4.06Å; L386-I411 HydrophobicContact CD2-CD1 4.34Å; L386-I411 HydrophobicContact CD2-CG2 3.87Å; L386-H412 WeakPolarHBondContact CD2-NE2 3.28Å
387	L	89.6	Confident	92.1	Very high	50 Å²	50	13 Å²	13	26%	0.262	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-0.7	173	-67	171	0	0	0	113.2	L358 L383 R384 T385 I389 L567	L358-L387 HydrophobicContact CD1-CD2 4Å; L358-L387 HydrophobicContact CD1-CG 4.47Å; L383-L387 VanDerWaalsContact O-CG 3.31Å; L383-L387 WeakPolarHBondContact O-CG 3.43Å; L383-L387 PolarHBondContact O-N 2.83Å; R384-L387 PolarHBondContact O-N 3.3Å; T385-L387 VanDerWaalsContact C-N 3.35Å; L387-I389 HydrophobicContact CB-CD1 3.77Å; L387-I389 HydrophobicContact CB-CG1 3.95Å; L387-I389 HydrophobicContact CD1-CD1 4.31Å; L387-L567 HydrophobicContact CD1-CB 4.08Å; L387-L567 HydrophobicContact CD1-CD2 4.04Å; L387-L567 HydrophobicContact CD1-CG 4.45Å
388	G	87.9	Confident	91.3	Very high	33 Å²	33	15.3 Å²	15.3	34%	0.34	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	16.8	-179.8	0	0	0	0	0	114.6	R384 T385 L386 C529	R384-G388 PolarHBondContact O-N 3.42Å; T385-G388 PolarHBondContact O-N 2.96Å; T385-G388 VanDerWaalsContact O-N 3.16Å; L386-G388 PolarHBondContact O-N 3.28Å; G388-C529 WeakPolarHBondContact O-CB 3.32Å
389	I	90.7	Very high	90.8	Very high	31 Å²	31	16.4 Å²	16.4	16%	0.159	10%	0.102	C	C	.	.			trans	-97.9	113.2	-168.8	-56.7	175.7	0	0	0	110.5	R384 L387 T391 L567	R384-I389 HydrophobicContact CB-CB 4.41Å; R384-I389 WeakPolarHBondContact O-CB 3.45Å; R384-I389 PolarHBondContact O-N 3.39Å; L387-I389 HydrophobicContact CB-CD1 3.77Å; L387-I389 HydrophobicContact CB-CG1 3.95Å; L387-I389 HydrophobicContact CD1-CD1 4.31Å; I389-T391 PolarHBondContact O-N 3.06Å; I389-T391 PolarHBondContact O-OG1 2.8Å; I389-L567 WeakPolarHBondContact CD1-O 3.47Å
390	S	93.8	Very high	90.3	Very high	19 Å²	19	14.9 Å²	14.9	13%	0.133	10%	0.102	C	C	.	.			trans	-55.3	130.5	177.2	-65.3	0	0	0	0	111.6	N528 F530	S390-N528 PolarHBondContact OG-O 2.96Å; S390-F530 CarbonylContact C-O 3.06Å; S390-F530 WeakPolarHBondContact CA-O 3.49Å; S390-F530 PolarHBondContact OG-N 3.31Å
391	T	94.9	Very high	90	Very high	0 Å²	0	16 Å²	16	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	131.5	-168.4	-58.8	0	0	0	0	109.9	V381 R384 I389 F530 L531 G532 V573	V381-T391 HydrophobicContact CG2-CG2 4.45Å; R384-T391 PolarHBondContact NE-OG1 3.31Å; R384-T391 PolarHBondContact NH2-OG1 3.04Å; I389-T391 PolarHBondContact O-N 3.06Å; I389-T391 PolarHBondContact O-OG1 2.8Å; T391-F530 PolarHBondContact N-O 3.47Å; T391-L531 CarbonylContact O-C 3.56Å; T391-L531 WeakPolarHBondContact O-CA 3.4Å; T391-G532 PolarHBondContact O-N 2.93Å; T391-V573 HydrophobicContact CG2-CG2 3.94Å
392	L	96.1	Very high	89.7	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	128.7	166	173.5	61.5	0	0	0	109.1	V394 A500 G532 I542 I545 L549 Y572 V573	L392-V394 HydrophobicContact CD2-CG2 4.14Å; L392-V394 HydrophobicContact CG-CG2 4.02Å; L392-A500 HydrophobicContact CD1-CB 4.2Å; L392-G532 CarbonylContact C-O 3.54Å; L392-I542 HydrophobicContact CD2-CG1 4.48Å; L392-I542 HydrophobicContact CD2-CG2 4.17Å; L392-I545 HydrophobicContact CD1-CG2 3.9Å; L392-I545 HydrophobicContact CD2-CB 4.04Å; L392-I545 HydrophobicContact CD2-CD1 4.2Å; L392-I545 HydrophobicContact CD2-CG2 3.85Å; L392-I545 HydrophobicContact CG-CG2 4.38Å; L392-L549 HydrophobicContact CB-CD1 4.05Å; L392-Y572 CarbonylContact O-C 3.57Å; L392-Y572 WeakPolarHBondContact O-CA 3.23Å; L392-Y572 VanDerWaalsContact O-CB 3.31Å; L392-Y572 WeakPolarHBondContact O-CB 3.34Å; L392-V573 PolarHBondContact O-N 3.07Å
393	A	95.7	Very high	89.5	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	112	172.1	0	0	0	0	0	110.2	V381 M395 G532 L533 S534 V573	V381-A393 HydrophobicContact CG1-CB 4.2Å; V381-A393 HydrophobicContact CG2-CB 3.77Å; A393-M395 HydrophobicContact CB-CE 4.3Å; A393-M395 HydrophobicContact CB-CG 4.45Å; A393-M395 HydrophobicContact CB-SD 4.26Å; A393-G532 PolarHBondContact N-O 2.95Å; A393-L533 HydrophobicContact CB-CD2 3.86Å; A393-S534 PolarHBondContact O-N 3.37Å; A393-V573 CarbonylContact C-O 3.48Å; A393-V573 WeakPolarHBondContact CA-O 3.49Å
394	V	93.8	Very high	89.5	Confident	8 Å²	8	18.3 Å²	18.3	5%	0.048	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	99.6	174.8	-175.2	0	0	0	0	107.3	L392 C537 I542 Y572 V573 Q574	L392-V394 HydrophobicContact CD2-CG2 4.14Å; L392-V394 HydrophobicContact CG-CG2 4.02Å; V394-C537 HydrophobicContact CG1-CB 4.44Å; V394-C537 HydrophobicContact CG2-CB 4.35Å; V394-I542 HydrophobicContact CG2-CD1 4.22Å; V394-I542 HydrophobicContact CG2-CG1 4.19Å; V394-Y572 HydrophobicContact CG2-CD2 4.48Å; V394-V573 PolarHBondContact N-O 3.1Å; V394-Q574 HydrophobicContact CB-CB 4.17Å; V394-Q574 HydrophobicContact CB-CG 4.03Å; V394-Q574 HydrophobicContact CG1-CG 4.23Å
395	M	91.3	Very high	89.5	Confident	1 Å²	1	18.3 Å²	18.3	1%	0.005	12%	0.122	C	C	.	.			trans	-135.5	136.3	-171.9	-71.2	176.4	172.6	0	0	109.9	Q378 V381 A393 F399 K401 S534 A535 V573 P575	Q378-M395 HydrophobicContact CG-CE 4.29Å; Q378-M395 HydrophobicContact CG-SD 4.49Å; V381-M395 HydrophobicContact CG2-CE 3.89Å; A393-M395 HydrophobicContact CB-CE 4.3Å; A393-M395 HydrophobicContact CB-CG 4.45Å; A393-M395 HydrophobicContact CB-SD 4.26Å; M395-F399 HydrophobicContact CB-CB 4.15Å; M395-F399 HydrophobicContact CB-CD1 3.81Å; M395-F399 HydrophobicContact CB-CG 4.19Å; M395-F399 HydrophobicContact CG-CD1 3.89Å; M395-F399 HydrophobicContact CG-CE1 4.26Å; M395-F399 HydrophobicContact SD-CD1 3.9Å; M395-F399 HydrophobicContact SD-CE1 4.29Å; M395-K401 HydrophobicContact CB-CD 4.1Å; M395-K401 HydrophobicContact CB-CG 3.81Å; M395-K401 PolarHBondContact O-NZ 3.13Å; M395-K401 HydrophobicContact SD-CG 4.44Å; M395-S534 PolarHBondContact N-O 3Å; M395-A535 WeakPolarHBondContact O-CA 3.4Å; M395-V573 HydrophobicContact CE-CG1 4.37Å; M395-P575 HydrophobicContact CE-CG 4.45Å; M395-P575 HydrophobicContact CG-CG 4.18Å
396	P	87.3	Confident	89.4	Confident	15 Å²	15	19 Å²	19	10%	0.097	13%	0.125	C	C	.	.			trans	-50.5	166.6	-177.1	-30.5	34.7	0	0	0	116.6	F399 K401 V576	P396-F399 HydrophobicContact CB-CB 4.17Å; P396-F399 HydrophobicContact CB-CD2 4.37Å; P396-F399 HydrophobicContact CG-CD2 4.1Å; P396-F399 VanDerWaalsContact O-CB 3.22Å; P396-F399 WeakPolarHBondContact O-CB 3.44Å; P396-F399 PolarHBondContact O-N 2.95Å; P396-K401 PolarHBondContact O-NZ 3.32Å; P396-V576 HydrophobicContact CG-CB 4.43Å
397	T	81.5	Confident	89.5	Confident	30 Å²	30	18 Å²	18	18%	0.184	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	145.3	165	46.1	0	0	0	0	110.2	F399 A535 G713	T397-F399 PolarHBondContact O-N 3.23Å; T397-A535 HydrophobicContact CG2-CB 4.06Å; T397-G713 VanDerWaalsContact CB-O 3.27Å; T397-G713 WeakPolarHBondContact CB-O 3.27Å; T397-G713 VanDerWaalsContact OG1-C 3.24Å; T397-G713 VanDerWaalsContact OG1-CA 3.27Å; T397-G713 WeakPolarHBondContact OG1-CA 3.28Å; T397-G713 PolarHBondContact OG1-O 3.23Å
398	A	74.4	Confident	89.6	Confident	50 Å²	50	15.7 Å²	15.7	41%	0.413	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	13	-173.4	0	0	0	0	0	116.4	R375 G400 R717	R375-A398 PolarHBondContact NH1-O 2.89Å; A398-G400 PolarHBondContact O-N 3.16Å; A398-R717 HydrophobicContact CB-CG 4.02Å
399	F	82	Confident	89.8	Confident	27 Å²	27	14.1 Å²	14.1	12%	0.118	9%	0.091	C	C	.	.	S	Bend	trans	-74.8	-0	176.7	-156.9	-95.1	0	0	0	114.4	R375 P376 M395 P396 T397 P575 V576	R375-F399 HydrophobicContact CB-CE1 3.87Å; R375-F399 HydrophobicContact CB-CZ 3.96Å; P376-F399 WeakPolarHBondContact O-CE1 3.24Å; M395-F399 HydrophobicContact CB-CB 4.15Å; M395-F399 HydrophobicContact CB-CD1 3.81Å; M395-F399 HydrophobicContact CB-CG 4.19Å; M395-F399 HydrophobicContact CG-CD1 3.89Å; M395-F399 HydrophobicContact CG-CE1 4.26Å; M395-F399 HydrophobicContact SD-CD1 3.9Å; M395-F399 HydrophobicContact SD-CE1 4.29Å; P396-F399 HydrophobicContact CB-CB 4.17Å; P396-F399 HydrophobicContact CB-CD2 4.37Å; P396-F399 HydrophobicContact CG-CD2 4.1Å; P396-F399 VanDerWaalsContact O-CB 3.22Å; P396-F399 WeakPolarHBondContact O-CB 3.44Å; P396-F399 PolarHBondContact O-N 2.95Å; T397-F399 PolarHBondContact O-N 3.23Å; F399-P575 HydrophobicContact CE1-CG 3.86Å; F399-P575 HydrophobicContact CZ-CB 4.44Å; F399-P575 HydrophobicContact CZ-CG 3.89Å; F399-V576 HydrophobicContact CE2-CG2 3.98Å; F399-V576 HydrophobicContact CZ-CG2 4.31Å
400	G	83.4	Confident	89.8	Confident	25 Å²	25	13 Å²	13	26%	0.258	9%	0.085	S	C	.	.			trans	88.7	20.2	179.3	0	0	0	0	0	115.1	Q378 A398 S402 L403	Q378-G400 PolarHBondContact NE2-O 2.94Å; A398-G400 PolarHBondContact O-N 3.16Å; G400-S402 PolarHBondContact O-N 3.07Å; G400-L403 WeakPolarHBondContact O-CB 3.42Å; G400-L403 PolarHBondContact O-N 2.94Å
401	K	88.9	Confident	89.6	Confident	25 Å²	25	12.3 Å²	12.3	11%	0.109	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.3	-34.1	-178.9	-74.1	-162	-73.9	-84	0	115.2	M395 P396 L403 C404 L533	M395-K401 HydrophobicContact CB-CD 4.1Å; M395-K401 HydrophobicContact CB-CG 3.81Å; M395-K401 PolarHBondContact O-NZ 3.13Å; M395-K401 HydrophobicContact SD-CG 4.44Å; P396-K401 PolarHBondContact O-NZ 3.32Å; K401-L403 VanDerWaalsContact C-N 3.33Å; K401-L403 PolarHBondContact O-N 3.32Å; K401-C404 VanDerWaalsContact O-CB 3.28Å; K401-C404 WeakPolarHBondContact O-CB 3.5Å; K401-C404 PolarHBondContact O-N 3.29Å; K401-L533 HydrophobicContact CB-CD1 4.39Å; K401-L533 HydrophobicContact CD-CB 4.27Å; K401-L533 WeakPolarHBondContact O-CD1 3.46Å
402	S	88	Confident	89.3	Confident	35 Å²	35	12.9 Å²	12.9	25%	0.245	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-37.3	178.7	-52.3	0	0	0	0	113.4	G400 C404 Y405 Q406	G400-S402 PolarHBondContact O-N 3.07Å; S402-C404 PolarHBondContact O-N 2.75Å; S402-Y405 WeakPolarHBondContact O-CD1 3.24Å; S402-Y405 PolarHBondContact O-N 3.45Å; S402-Y405 VanDerWaalsContact O-N 3.08Å; S402-Q406 WeakPolarHBondContact O-CB 3.34Å; S402-Q406 WeakPolarHBondContact O-CG 3.36Å; S402-Q406 PolarHBondContact O-N 3.48Å; S402-Q406 PolarHBondContact O-OE1 2.98Å
403	L	89.9	Confident	88.9	Confident	14 Å²	14	14.1 Å²	14.1	7%	0.073	9%	0.089	C	C	.	.	H	α-helix	trans	-59.2	-32.6	178.9	-68.7	173.7	0	0	0	112	L369 F371 G400 K401 Y405 Q406 I407	L369-L403 HydrophobicContact CD1-CD2 4.18Å; F371-L403 HydrophobicContact CD1-CD1 4.44Å; F371-L403 HydrophobicContact CD2-CD1 4.36Å; F371-L403 HydrophobicContact CD2-CD2 4.26Å; F371-L403 HydrophobicContact CE1-CD1 4.28Å; F371-L403 HydrophobicContact CE2-CD1 4.21Å; F371-L403 HydrophobicContact CE2-CD2 3.79Å; F371-L403 HydrophobicContact CG-CD1 4.48Å; F371-L403 HydrophobicContact CZ-CD1 4.17Å; F371-L403 HydrophobicContact CZ-CD2 4.27Å; G400-L403 WeakPolarHBondContact O-CB 3.42Å; G400-L403 PolarHBondContact O-N 2.94Å; K401-L403 VanDerWaalsContact C-N 3.33Å; K401-L403 PolarHBondContact O-N 3.32Å; L403-Y405 PolarHBondContact O-N 3.02Å; L403-Q406 PolarHBondContact O-N 2.69Å; L403-I407 HydrophobicContact CB-CD1 4.47Å; L403-I407 PolarHBondContact O-N 3.11Å; L403-I407 VanDerWaalsContact O-N 3.14Å
404	C	92.9	Very high	88.4	Confident	0 Å²	0	20 Å²	20	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.1	-25.3	179.6	-53.9	0	0	0	0	113.3	V381 K401 S402 P408 L531 L533	V381-C404 HydrophobicContact CG1-CB 3.83Å; K401-C404 VanDerWaalsContact O-CB 3.28Å; K401-C404 WeakPolarHBondContact O-CB 3.5Å; K401-C404 PolarHBondContact O-N 3.29Å; S402-C404 PolarHBondContact O-N 2.75Å; C404-P408 WeakPolarHBondContact O-CD 3.37Å; C404-P408 WeakPolarHBondContact O-CG 3.11Å; C404-L531 HydrophobicContact CB-CD2 4.44Å; C404-L531 WeakPolarHBondContact O-CD2 3.34Å; C404-L533 HydrophobicContact CB-CD2 4.22Å
405	Y	93	Very high	87.9	Confident	1 Å²	1	22.6 Å²	22.6	0%	0.004	13%	0.132	C	C	.	.	H	α-helix	trans	-103.8	-30.7	170.5	79.1	-106.2	0	0	0	113	S402 L403 P408 A409 V422 Q433 F469 C496 L533	S402-Y405 WeakPolarHBondContact O-CD1 3.24Å; S402-Y405 PolarHBondContact O-N 3.45Å; S402-Y405 VanDerWaalsContact O-N 3.08Å; L403-Y405 PolarHBondContact O-N 3.02Å; Y405-P408 WeakPolarHBondContact O-CD 3.31Å; Y405-A409 WeakPolarHBondContact O-CB 3.42Å; Y405-A409 PolarHBondContact O-N 3.37Å; Y405-V422 HydrophobicContact CD2-CG2 3.57Å; Y405-V422 HydrophobicContact CE1-CG1 4.23Å; Y405-V422 HydrophobicContact CE2-CG1 4.38Å; Y405-V422 HydrophobicContact CE2-CG2 3.66Å; Y405-V422 HydrophobicContact CG-CG2 4.15Å; Y405-Q433 PolarHBondContact OH-OE1 2.99Å; Y405-F469 HydrophobicContact CE2-CD1 4.21Å; Y405-F469 AromaticContact CE2-CD2 3.96Å; Y405-F469 HydrophobicContact CE2-CD2 3.96Å; Y405-F469 HydrophobicContact CE2-CE1 4.35Å; Y405-F469 HydrophobicContact CE2-CE2 4.1Å; Y405-F469 HydrophobicContact CE2-CG 4.02Å; Y405-F469 HydrophobicContact CE2-CZ 4.29Å; Y405-C496 HydrophobicContact CG-CB 4.37Å; Y405-L533 HydrophobicContact CD1-CD1 3.9Å
406	Q	91.9	Very high	87.5	Confident	15 Å²	15	27.1 Å²	27.1	7%	0.07	15%	0.15	C	C	.	.	H	α-helix	trans	-67.5	-43.3	-174.6	-72.1	170.3	-39.8	0	0	112.7	S402 L403 A409 L410 L441 F469	S402-Q406 WeakPolarHBondContact O-CB 3.34Å; S402-Q406 WeakPolarHBondContact O-CG 3.36Å; S402-Q406 PolarHBondContact O-N 3.48Å; S402-Q406 PolarHBondContact O-OE1 2.98Å; L403-Q406 PolarHBondContact O-N 2.69Å; Q406-A409 PolarHBondContact O-N 2.83Å; Q406-L410 WeakPolarHBondContact O-CB 3.42Å; Q406-L410 PolarHBondContact O-N 3.17Å; Q406-L441 HydrophobicContact CB-CD1 4.43Å; Q406-L441 HydrophobicContact CB-CD2 3.9Å; Q406-L441 HydrophobicContact CG-CD2 3.85Å; Q406-F469 HydrophobicContact CG-CE1 4.45Å
407	I	92	Very high	87.3	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.2	-52	178.4	-69	168.4	0	0	0	111.9	V362 C365 L366 L369 F374 I382 L403 A409 L410 I411	V362-I407 HydrophobicContact CG1-CG2 4.36Å; V362-I407 HydrophobicContact CG2-CG2 4.24Å; C365-I407 HydrophobicContact CB-CG2 4.12Å; L366-I407 HydrophobicContact CD1-CD1 4.17Å; L369-I407 HydrophobicContact CD1-CD1 4.03Å; L369-I407 HydrophobicContact CD1-CG1 3.49Å; L369-I407 VanDerWaalsContact CD1-CG1 3.49Å; F374-I407 HydrophobicContact CE1-CD1 3.8Å; F374-I407 HydrophobicContact CZ-CD1 4.07Å; I382-I407 HydrophobicContact CD1-CB 4.19Å; I382-I407 HydrophobicContact CD1-CD1 3.81Å; I382-I407 HydrophobicContact CD1-CG2 4.47Å; I382-I407 HydrophobicContact CG2-CB 4.38Å; I382-I407 HydrophobicContact CG2-CG2 3.86Å; L403-I407 HydrophobicContact CB-CD1 4.47Å; L403-I407 PolarHBondContact O-N 3.11Å; L403-I407 VanDerWaalsContact O-N 3.14Å; I407-A409 VanDerWaalsContact C-N 3.28Å; I407-A409 PolarHBondContact O-N 3.21Å; I407-L410 PolarHBondContact O-N 2.73Å; I407-I411 HydrophobicContact CG2-CD1 3.81Å; I407-I411 WeakPolarHBondContact O-CG1 3.38Å; I407-I411 PolarHBondContact O-N 2.86Å
408	P	92.5	Very high	87.5	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66.1	-29.8	177.4	22.7	-30.3	0	0	0	112.8	T385 L386 C404 Y405 H412 F494	T385-P408 HydrophobicContact CG2-CB 3.99Å; T385-P408 HydrophobicContact CG2-CG 3.95Å; L386-P408 HydrophobicContact CD2-CB 3.77Å; L386-P408 HydrophobicContact CG-CB 4.03Å; C404-P408 WeakPolarHBondContact O-CD 3.37Å; C404-P408 WeakPolarHBondContact O-CG 3.11Å; Y405-P408 WeakPolarHBondContact O-CD 3.31Å; P408-H412 VanDerWaalsContact O-CB 3.25Å; P408-H412 WeakPolarHBondContact O-CB 3.46Å; P408-H412 PolarHBondContact O-N 3.34Å; P408-H412 PolarHBondContact O-ND1 2.67Å; P408-F494 HydrophobicContact CB-CE1 3.9Å; P408-F494 HydrophobicContact CB-CZ 4.04Å; P408-F494 HydrophobicContact CG-CE1 4.23Å; P408-F494 HydrophobicContact CG-CZ 3.83Å
409	A	91.6	Very high	88.2	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.2	-43.7	172	0	0	0	0	0	112.5	Y405 Q406 I407 Q413 A420 F469 F494	Y405-A409 WeakPolarHBondContact O-CB 3.42Å; Y405-A409 PolarHBondContact O-N 3.37Å; Q406-A409 PolarHBondContact O-N 2.83Å; I407-A409 VanDerWaalsContact C-N 3.28Å; I407-A409 PolarHBondContact O-N 3.21Å; A409-Q413 WeakPolarHBondContact O-CB 3.47Å; A409-Q413 PolarHBondContact O-N 2.92Å; A409-A420 HydrophobicContact CB-CB 3.54Å; A409-F469 HydrophobicContact CB-CB 4.16Å; A409-F494 HydrophobicContact CB-CZ 4.3Å
410	L	90.5	Very high	88.7	Confident	7 Å²	7	29.7 Å²	29.7	4%	0.037	15%	0.15	C	C	.	.	H	α-helix	trans	-64	-48.5	177.2	-176.7	62.3	0	0	0	111.5	Q406 I407 H412 Q413 Q414 L441	Q406-L410 WeakPolarHBondContact O-CB 3.42Å; Q406-L410 PolarHBondContact O-N 3.17Å; I407-L410 PolarHBondContact O-N 2.73Å; L410-H412 PolarHBondContact O-N 3.47Å; L410-Q413 PolarHBondContact O-N 3.4Å; L410-Q414 WeakPolarHBondContact O-CG 3.47Å; L410-Q414 PolarHBondContact O-N 3.28Å; L410-L441 HydrophobicContact CB-CD1 4.04Å; L410-L441 HydrophobicContact CD1-CD1 4.42Å
411	I	89	Confident	89.1	Confident	6 Å²	6	28.6 Å²	28.6	3%	0.031	14%	0.138	C	C	.	.	H	α-helix	trans	-62.4	-45.3	179.6	-66.3	169	0	0	0	110.8	R361 V362 L386 I407 Q413 Q414 V415	R361-I411 HydrophobicContact CB-CD1 4.47Å; V362-I411 HydrophobicContact CG2-CD1 3.7Å; L386-I411 HydrophobicContact CD1-CD1 4Å; L386-I411 HydrophobicContact CD2-CB 4.06Å; L386-I411 HydrophobicContact CD2-CD1 4.34Å; L386-I411 HydrophobicContact CD2-CG2 3.87Å; I407-I411 HydrophobicContact CG2-CD1 3.81Å; I407-I411 WeakPolarHBondContact O-CG1 3.38Å; I407-I411 PolarHBondContact O-N 2.86Å; I411-Q413 PolarHBondContact O-N 2.78Å; I411-Q414 PolarHBondContact O-N 3.19Å; I411-V415 HydrophobicContact CG2-CG2 4.32Å; I411-V415 WeakPolarHBondContact O-CB 3.44Å; I411-V415 WeakPolarHBondContact O-CG2 3.38Å; I411-V415 PolarHBondContact O-N 2.92Å
412	H	88.9	Confident	89.3	Confident	12 Å²	12	27.4 Å²	27.4	6%	0.056	13%	0.132	C	C	.	.	H	α-helix	trans	-65.5	-36.2	177.7	-70.8	158.8	0	0	0	113	L386 P408 L410 Y416 K417 T418 S493 F494	L386-H412 WeakPolarHBondContact CD2-NE2 3.28Å; P408-H412 VanDerWaalsContact O-CB 3.25Å; P408-H412 WeakPolarHBondContact O-CB 3.46Å; P408-H412 PolarHBondContact O-N 3.34Å; P408-H412 PolarHBondContact O-ND1 2.67Å; L410-H412 PolarHBondContact O-N 3.47Å; H412-Y416 AromaticContact CD2-CD2 3.93Å; H412-Y416 AromaticContact CD2-CE2 3.94Å; H412-Y416 WeakPolarHBondContact O-CA 3.48Å; H412-Y416 WeakPolarHBondContact O-CB 3Å; H412-Y416 PolarHBondContact O-N 3.41Å; H412-K417 PolarHBondContact O-N 3.31Å; H412-T418 PolarHBondContact O-OG1 2.8Å; H412-S493 WeakPolarHBondContact ND1-CB 3.19Å; H412-S493 PolarHBondContact ND1-OG 3.29Å; H412-F494 AromaticContact CE1-CD1 3.98Å; H412-F494 AromaticContact ND1-CD1 3.52Å; H412-F494 AromaticContact ND1-CE1 3.61Å
413	Q	87.7	Confident	89.4	Confident	25 Å²	25	25.7 Å²	25.7	12%	0.117	12%	0.121	C	C	.	.	H	α-helix	trans	-64.1	-46.4	172.4	-171.7	-162.1	2.1	0	0	111.7	A409 L410 I411 K417 T418 G465 K466 Y467 S468	A409-Q413 WeakPolarHBondContact O-CB 3.47Å; A409-Q413 PolarHBondContact O-N 2.92Å; L410-Q413 PolarHBondContact O-N 3.4Å; I411-Q413 PolarHBondContact O-N 2.78Å; Q413-K417 WeakPolarHBondContact O-CA 3.39Å; Q413-K417 PolarHBondContact O-N 2.74Å; Q413-T418 WeakPolarHBondContact CA-O 3.36Å; Q413-G465 PolarHBondContact NE2-O 3.16Å; Q413-K466 PolarHBondContact NE2-O 3.15Å; Q413-K466 VanDerWaalsContact NE2-O 3.08Å; Q413-Y467 VanDerWaalsContact CD-C 3.5Å; Q413-S468 VanDerWaalsContact OE1-CA 3.24Å; Q413-S468 PolarHBondContact OE1-OG 3.32Å
414	Q	85.5	Confident	89.3	Confident	123 Å²	123	25 Å²	25	58%	0.575	12%	0.117	S	C	*	.	H	α-helix	trans	-63.9	-45.4	-179	-72.9	175.3	-0.3	0	0	112.3	L410 I411	L410-Q414 WeakPolarHBondContact O-CG 3.47Å; L410-Q414 PolarHBondContact O-N 3.28Å; I411-Q414 PolarHBondContact O-N 3.19Å
415	V	83.8	Confident	88.5	Confident	63 Å²	63	26.3 Å²	26.3	38%	0.382	13%	0.126	S	C	.	.	H	α-helix	trans	-82.8	-43.8	-174.6	-177.7	0	0	0	0	112.2	I411	I411-V415 HydrophobicContact CG2-CG2 4.32Å; I411-V415 WeakPolarHBondContact O-CB 3.44Å; I411-V415 WeakPolarHBondContact O-CG2 3.38Å; I411-V415 PolarHBondContact O-N 2.92Å
416	Y	83	Confident	87.4	Confident	97 Å²	97	27.5 Å²	27.5	38%	0.38	13%	0.132	S	C	.	.	H	α-helix	trans	-116.4	-7.3	-169.3	-54.3	-61.9	0	0	0	114.7	P350 H412 T418	P350-Y416 HydrophobicContact CG-CD1 4.17Å; P350-Y416 HydrophobicContact CG-CE1 3.48Å; P350-Y416 VanDerWaalsContact CG-CE1 3.48Å; H412-Y416 AromaticContact CD2-CD2 3.93Å; H412-Y416 AromaticContact CD2-CE2 3.94Å; H412-Y416 WeakPolarHBondContact O-CA 3.48Å; H412-Y416 WeakPolarHBondContact O-CB 3Å; H412-Y416 PolarHBondContact O-N 3.41Å; Y416-T418 PolarHBondContact O-N 3.35Å
417	K	82.6	Confident	86.1	Confident	152 Å²	152	29.9 Å²	29.9	66%	0.661	14%	0.144	S	C	*	.			trans	56.9	27.2	-174.8	-58.6	174.1	-177.1	170.1	0	113.8	H412 Q413	H412-K417 PolarHBondContact O-N 3.31Å; Q413-K417 WeakPolarHBondContact O-CA 3.39Å; Q413-K417 PolarHBondContact O-N 2.74Å
418	T	86.2	Confident	84.7	Confident	21 Å²	21	32.4 Å²	32.4	13%	0.129	16%	0.162	C	C	.	.			trans	-87.7	166.4	173.2	49.7	0	0	0	0	110.9	H412 Q413 Y416 P491	H412-T418 PolarHBondContact O-OG1 2.8Å; Q413-T418 WeakPolarHBondContact CA-O 3.36Å; Y416-T418 PolarHBondContact O-N 3.35Å; T418-P491 VanDerWaalsContact CA-O 3.26Å; T418-P491 WeakPolarHBondContact CA-O 2.99Å; T418-P491 VanDerWaalsContact CB-O 3.25Å; T418-P491 WeakPolarHBondContact CB-O 3.35Å; T418-P491 HydrophobicContact CG2-CB 4.04Å; T418-P491 HydrophobicContact CG2-CG 4.08Å
419	V	89	Confident	83.3	Confident	3 Å²	3	33.9 Å²	33.9	2%	0.018	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	144.2	173.1	86.4	0	0	0	0	110.4	L470 P490 P491 I492 S493	V419-L470 HydrophobicContact CG2-CB 4.14Å; V419-P490 HydrophobicContact CB-CG 4.08Å; V419-P490 HydrophobicContact CG1-CG 3.56Å; V419-P491 PolarHBondContact N-O 3.37Å; V419-I492 CarbonylContact O-C 3.39Å; V419-I492 VanDerWaalsContact O-CA 3.32Å; V419-I492 WeakPolarHBondContact O-CA 3.5Å; V419-S493 PolarHBondContact O-N 3.33Å; V419-S493 PolarHBondContact O-OG 2.97Å
420	A	92	Very high	82.1	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	139.4	163	0	0	0	0	0	110.3	A409 S468 F469 L470 F494	A409-A420 HydrophobicContact CB-CB 3.54Å; A420-S468 PolarHBondContact N-O 2.95Å; A420-F469 HydrophobicContact CB-CB 4.17Å; A420-F469 CarbonylContact O-C 3.54Å; A420-F469 VanDerWaalsContact O-CA 3.27Å; A420-F469 WeakPolarHBondContact O-CA 3.49Å; A420-L470 PolarHBondContact O-N 2.86Å; A420-F494 HydrophobicContact CB-CD1 4.22Å; A420-F494 HydrophobicContact CB-CE1 3.62Å; A420-F494 HydrophobicContact CB-CE2 4.01Å; A420-F494 HydrophobicContact CB-CZ 3.49Å; A420-F494 VanDerWaalsContact CB-CZ 3.49Å
421	L	91.9	Very high	81	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	128	173.1	-161.5	70.8	0	0	0	109.7	I423 L470 L472 I492 F494 V495 C496 L521	L421-I423 HydrophobicContact CD2-CD1 4.33Å; L421-I423 HydrophobicContact CD2-CG1 4.44Å; L421-I423 HydrophobicContact CG-CG1 4.46Å; L421-L470 HydrophobicContact CD1-CB 4.29Å; L421-L470 HydrophobicContact CD1-CD2 4Å; L421-L470 HydrophobicContact CD1-CG 4.04Å; L421-L472 HydrophobicContact CD1-CD1 3.65Å; L421-L472 HydrophobicContact CD1-CG 4.03Å; L421-L472 HydrophobicContact CD2-CD1 4.16Å; L421-L472 HydrophobicContact CG-CD1 4.19Å; L421-I492 HydrophobicContact CB-CG2 4.32Å; L421-I492 HydrophobicContact CD2-CD1 4.37Å; L421-F494 PolarHBondContact N-O 3.22Å; L421-V495 HydrophobicContact CB-CG2 3.98Å; L421-V495 HydrophobicContact CD2-CG2 4.12Å; L421-V495 CarbonylContact O-C 3.59Å; L421-V495 WeakPolarHBondContact O-CA 3.03Å; L421-C496 PolarHBondContact O-N 2.81Å; L421-L521 HydrophobicContact CD2-CD1 4.26Å; L421-L521 HydrophobicContact CD2-CD2 3.93Å
422	V	92.5	Very high	79.8	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	119.2	-178.6	-178.1	0	0	0	0	109.4	Y405 F469 L470 M471 L472 C496	Y405-V422 HydrophobicContact CD2-CG2 3.57Å; Y405-V422 HydrophobicContact CE1-CG1 4.23Å; Y405-V422 HydrophobicContact CE2-CG1 4.38Å; Y405-V422 HydrophobicContact CE2-CG2 3.66Å; Y405-V422 HydrophobicContact CG-CG2 4.15Å; V422-F469 HydrophobicContact CG2-CB 4Å; V422-F469 HydrophobicContact CG2-CD2 4.04Å; V422-F469 HydrophobicContact CG2-CG 4.35Å; V422-L470 PolarHBondContact N-O 3.45Å; V422-M471 HydrophobicContact CB-CG 4.13Å; V422-M471 HydrophobicContact CG1-CE 3.95Å; V422-M471 HydrophobicContact CG1-CG 4.38Å; V422-M471 CarbonylContact O-C 3.54Å; V422-M471 VanDerWaalsContact O-CA 3.23Å; V422-M471 WeakPolarHBondContact O-CA 3.21Å; V422-L472 PolarHBondContact O-N 3Å; V422-C496 CarbonylContact C-O 3.59Å; V422-C496 WeakPolarHBondContact CA-O 3.13Å; V422-C496 HydrophobicContact CG1-CB 4.47Å; V422-C496 HydrophobicContact CG2-CB 4.15Å
423	I	90.4	Very high	78.7	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	109.4	-171.5	-51.7	176.2	0	0	0	108.3	L421 L472 P474 I477 V495 C496 I497 D498 V517 L521	L421-I423 HydrophobicContact CD2-CD1 4.33Å; L421-I423 HydrophobicContact CD2-CG1 4.44Å; L421-I423 HydrophobicContact CG-CG1 4.46Å; I423-L472 WeakPolarHBondContact CA-O 3.19Å; I423-P474 HydrophobicContact CG2-CB 4.17Å; I423-I477 HydrophobicContact CD1-CD1 3.46Å; I423-I477 VanDerWaalsContact CD1-CD1 3.46Å; I423-I477 HydrophobicContact CG1-CD1 3.79Å; I423-I477 HydrophobicContact CG2-CD1 4.04Å; I423-V495 HydrophobicContact CD1-CG1 3.49Å; I423-V495 VanDerWaalsContact CD1-CG1 3.49Å; I423-V495 HydrophobicContact CG1-CG1 4.2Å; I423-C496 PolarHBondContact N-O 3.01Å; I423-I497 HydrophobicContact CD1-CG1 4.39Å; I423-D498 WeakPolarHBondContact O-CB 3.47Å; I423-D498 PolarHBondContact O-N 3.31Å; I423-V517 HydrophobicContact CD1-CG1 3.5Å; I423-V517 VanDerWaalsContact CD1-CG1 3.5Å; I423-V517 HydrophobicContact CG2-CG1 4.5Å; I423-L521 HydrophobicContact CD1-CD1 3.46Å; I423-L521 VanDerWaalsContact CD1-CD1 3.46Å
424	S	87.7	Confident	77.4	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.205	C	C	.	.			trans	-128.6	144.6	-176.9	-172.7	0	0	0	0	110.1	L426 L472 S473 D498	S424-L426 VanDerWaalsContact C-N 3.25Å; S424-L426 PolarHBondContact O-N 2.98Å; S424-L472 PolarHBondContact N-O 3.15Å; S424-S473 WeakPolarHBondContact O-CA 3.5Å; S424-D498 WeakPolarHBondContact CB-OD2 3.38Å; S424-D498 PolarHBondContact OG-OD2 2.8Å
425	P	76.4	Confident	75.9	Confident	27 Å²	27	40.4 Å²	40.4	18%	0.175	21%	0.206	C	C	.	.	S	Bend	trans	-79.1	-13.3	-177.6	22.6	-14.3	0	0	0	112.3	E499 Y514	P425-E499 HydrophobicContact CG-CB 4.13Å; P425-E499 HydrophobicContact CG-CG 4.42Å; P425-Y514 HydrophobicContact CB-CE2 4.17Å; P425-Y514 WeakPolarHBondContact CD-OH 3.21Å; P425-Y514 VanDerWaalsContact CG-OH 3.26Å; P425-Y514 WeakPolarHBondContact CG-OH 3.4Å
426	L	70.1	Confident	74.6	Confident	26 Å²	26	42.9 Å²	42.9	14%	0.136	21%	0.214	C	C	.	.			trans	-111.4	98	-163.1	-59.4	-177	0	0	0	112.1	S424 S428 L429 M430 M686	S424-L426 VanDerWaalsContact C-N 3.25Å; S424-L426 PolarHBondContact O-N 2.98Å; L426-S428 PolarHBondContact O-N 3.45Å; L426-S428 VanDerWaalsContact O-N 3.14Å; L426-L429 HydrophobicContact CB-CB 3.75Å; L426-L429 HydrophobicContact CD1-CD2 4.49Å; L426-L429 WeakPolarHBondContact O-CA 3.28Å; L426-L429 WeakPolarHBondContact O-CB 3.38Å; L426-L429 PolarHBondContact O-N 3.48Å; L426-M430 WeakPolarHBondContact O-CG 3.33Å; L426-M430 PolarHBondContact O-N 2.91Å; L426-M430 VanDerWaalsContact O-N 3.12Å; L426-M686 HydrophobicContact CD1-CB 3.86Å; L426-M686 HydrophobicContact CD2-CB 3.85Å; L426-M686 HydrophobicContact CD2-CE 4.18Å; L426-M686 HydrophobicContact CD2-CG 4.25Å; L426-M686 HydrophobicContact CD2-SD 3.72Å; L426-M686 HydrophobicContact CG-CB 4.49Å
427	I	65.7	Low	73.1	Confident	64 Å²	64	44 Å²	44	33%	0.328	23%	0.233	S	C	.	.	H	α-helix	trans	-56.5	-32.4	177.1	-56	175.3	0	0	0	112	M430 E431	I427-M430 HydrophobicContact CB-SD 4.42Å; I427-M430 HydrophobicContact CG1-SD 4.26Å; I427-M430 PolarHBondContact O-N 3.48Å; I427-E431 PolarHBondContact O-N 3.04Å
428	S	60.7	Low	72.2	Confident	54 Å²	54	38.7 Å²	38.7	38%	0.378	21%	0.212	S	C	.	.	H	α-helix	trans	-61.8	-40.2	172.7	44	0	0	0	0	113.3	L426 D432 M686	L426-S428 PolarHBondContact O-N 3.45Å; L426-S428 VanDerWaalsContact O-N 3.14Å; S428-D432 PolarHBondContact O-N 2.98Å; S428-M686 PolarHBondContact OG-O 3.15Å
429	L	64.2	Low	71.2	Confident	30 Å²	30	41.9 Å²	41.9	16%	0.157	24%	0.235	C	C	.	.	H	α-helix	trans	-72.1	-34.2	178.8	-174.3	63	0	0	0	111.5	L426 E431 D432 Q433 D498	L426-L429 HydrophobicContact CB-CB 3.75Å; L426-L429 HydrophobicContact CD1-CD2 4.49Å; L426-L429 WeakPolarHBondContact O-CA 3.28Å; L426-L429 WeakPolarHBondContact O-CB 3.38Å; L426-L429 PolarHBondContact O-N 3.48Å; L429-E431 VanDerWaalsContact C-N 3.35Å; L429-E431 PolarHBondContact O-N 3.33Å; L429-D432 PolarHBondContact O-N 2.92Å; L429-Q433 HydrophobicContact CD1-CG 4.17Å; L429-Q433 HydrophobicContact CG-CG 4.26Å; L429-Q433 WeakPolarHBondContact O-CB 3.49Å; L429-Q433 WeakPolarHBondContact O-CG 3.42Å; L429-Q433 PolarHBondContact O-N 3.06Å; L429-D498 WeakPolarHBondContact CD2-OD2 3.14Å
430	M	66.8	Low	70.3	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.3	-40.7	176	-56.9	167.4	86.9	0	0	112	L426 I427 V434 F445 M471 L472	L426-M430 WeakPolarHBondContact O-CG 3.33Å; L426-M430 PolarHBondContact O-N 2.91Å; L426-M430 VanDerWaalsContact O-N 3.12Å; I427-M430 HydrophobicContact CB-SD 4.42Å; I427-M430 HydrophobicContact CG1-SD 4.26Å; I427-M430 PolarHBondContact O-N 3.48Å; M430-V434 WeakPolarHBondContact O-CB 3.39Å; M430-V434 WeakPolarHBondContact O-CG2 3.37Å; M430-V434 PolarHBondContact O-N 3.19Å; M430-F445 HydrophobicContact CB-CB 4.38Å; M430-F445 HydrophobicContact CE-CB 4Å; M430-M471 HydrophobicContact CB-CE 4.24Å; M430-M471 HydrophobicContact CB-SD 4.04Å; M430-M471 HydrophobicContact CE-CB 3.57Å; M430-M471 WeakPolarHBondContact CE-O 3.43Å; M430-M471 HydrophobicContact CG-CB 4.35Å; M430-M471 HydrophobicContact CG-CE 3.91Å; M430-M471 HydrophobicContact CG-SD 4.28Å; M430-L472 VanDerWaalsContact CE-C 3.4Å
431	E	66.2	Low	69.7	Low	86 Å²	86	44.9 Å²	44.9	40%	0.402	26%	0.264	S	S	.	.	H	α-helix	trans	-65.2	-50.6	175.2	-71.3	-177.6	-170.6	0	0	110.8	I427 L429 Q433 V434 I435 F445	I427-E431 PolarHBondContact O-N 3.04Å; L429-E431 VanDerWaalsContact C-N 3.35Å; L429-E431 PolarHBondContact O-N 3.33Å; E431-Q433 PolarHBondContact O-N 3.26Å; E431-V434 PolarHBondContact O-N 3.36Å; E431-I435 HydrophobicContact CB-CD1 4.29Å; E431-I435 VanDerWaalsContact O-CB 3.26Å; E431-I435 WeakPolarHBondContact O-CB 3.47Å; E431-I435 WeakPolarHBondContact O-CD1 3.4Å; E431-I435 WeakPolarHBondContact O-CG1 3.44Å; E431-I435 PolarHBondContact O-N 3.49Å; E431-F445 HydrophobicContact CG-CE1 4.18Å; E431-F445 HydrophobicContact CG-CZ 3.94Å
432	D	64.1	Low	69.3	Low	45 Å²	45	49.7 Å²	49.7	24%	0.241	29%	0.286	C	S	.	.	H	α-helix	trans	-62.5	-38	-179.8	-82	-11.3	0	0	0	113	S428 L429 Q436	S428-D432 PolarHBondContact O-N 2.98Å; L429-D432 PolarHBondContact O-N 2.92Å; D432-Q436 PolarHBondContact O-N 2.95Å
433	Q	65.6	Low	69.1	Low	24 Å²	24	50.5 Å²	50.5	11%	0.112	29%	0.294	C	S	.	.	H	α-helix	trans	-73.3	-27.2	178.7	-74.2	-178.1	3.3	0	0	114	Y405 L429 E431 M471	Y405-Q433 PolarHBondContact OH-OE1 2.99Å; L429-Q433 HydrophobicContact CD1-CG 4.17Å; L429-Q433 HydrophobicContact CG-CG 4.26Å; L429-Q433 WeakPolarHBondContact O-CB 3.49Å; L429-Q433 WeakPolarHBondContact O-CG 3.42Å; L429-Q433 PolarHBondContact O-N 3.06Å; E431-Q433 PolarHBondContact O-N 3.26Å; Q433-M471 HydrophobicContact CB-SD 4.14Å
434	V	60.7	Low	69	Low	39 Å²	39	51 Å²	51	24%	0.236	30%	0.297	C	S	.	.	H	α-helix	trans	-90.7	-22.9	176.3	173.2	0	0	0	0	112	M430 E431 F445 F469 M471	M430-V434 WeakPolarHBondContact O-CB 3.39Å; M430-V434 WeakPolarHBondContact O-CG2 3.37Å; M430-V434 PolarHBondContact O-N 3.19Å; E431-V434 PolarHBondContact O-N 3.36Å; V434-F445 HydrophobicContact CB-CD1 4.12Å; V434-F445 HydrophobicContact CG1-CD1 4.17Å; V434-F445 HydrophobicContact CG2-CD1 4.13Å; V434-F469 HydrophobicContact CG2-CE2 4.17Å; V434-F469 HydrophobicContact CG2-CZ 4.49Å; V434-M471 HydrophobicContact CG2-CG 4.41Å; V434-M471 HydrophobicContact CG2-SD 3.9Å
435	I	54.3	Low	68.9	Low	116 Å²	116	52.7 Å²	52.7	60%	0.595	31%	0.305	S	S	*	.	H	α-helix	trans	-75.9	-26.7	176.2	-73.9	167.4	0	0	0	112.4	E431 P437	E431-I435 HydrophobicContact CB-CD1 4.29Å; E431-I435 VanDerWaalsContact O-CB 3.26Å; E431-I435 WeakPolarHBondContact O-CB 3.47Å; E431-I435 WeakPolarHBondContact O-CD1 3.4Å; E431-I435 WeakPolarHBondContact O-CG1 3.44Å; E431-I435 PolarHBondContact O-N 3.49Å; I435-P437 WeakPolarHBondContact O-CD 3.21Å
436	Q	56.5	Low	69.2	Low	115 Å²	115	51.6 Å²	51.6	54%	0.537	30%	0.297	S	S	.	.	S	Bend	trans	-74.4	103.7	172.4	-70.9	-172	-0.6	0	0	110.2	D432 I438	D432-Q436 PolarHBondContact O-N 2.95Å; Q436-I438 PolarHBondContact O-N 3.14Å
437	P	52.5	Low	69.6	Low	122 Å²	122	50.5 Å²	50.5	79%	0.792	29%	0.291	S	S	*	.			trans	-92.8	88.5	-171.7	30.2	-15.3	0	0	0	108.7	I435	I435-P437 WeakPolarHBondContact O-CD 3.21Å
438	I	62.5	Low	69.8	Low	39 Å²	39	52.5 Å²	52.5	20%	0.2	31%	0.311	C	S	.	.			trans	-74.7	140.4	173.3	-26.7	179.5	0	0	0	108.9	L369 Q436 G440 L441	L369-I438 HydrophobicContact CB-CG2 4.11Å; L369-I438 HydrophobicContact CD2-CB 3.84Å; L369-I438 HydrophobicContact CD2-CD1 4.32Å; L369-I438 HydrophobicContact CD2-CG2 3.43Å; L369-I438 VanDerWaalsContact CD2-CG2 3.43Å; L369-I438 HydrophobicContact CG-CG2 4.36Å; Q436-I438 PolarHBondContact O-N 3.14Å; I438-G440 PolarHBondContact O-N 3.22Å; I438-L441 HydrophobicContact CB-CB 4.37Å; I438-L441 HydrophobicContact CB-CD2 4.46Å; I438-L441 HydrophobicContact CD1-CD2 3.94Å; I438-L441 HydrophobicContact CG1-CD2 4.27Å; I438-L441 PolarHBondContact O-N 2.87Å; I438-L441 VanDerWaalsContact O-N 3.09Å
439	S	66.7	Low	70.3	Confident	88 Å²	88	54.5 Å²	54.5	62%	0.615	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	126.4	-175.9	-60.7	0	0	0	0	112.4	L441	S439-L441 PolarHBondContact O-N 2.9Å
440	G	68.9	Low	71	Confident	54 Å²	54	54.7 Å²	54.7	56%	0.557	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	-17.3	179.2	0	0	0	0	0	116.5	I438	I438-G440 PolarHBondContact O-N 3.22Å
441	L	79.1	Confident	71.6	Confident	13 Å²	13	57.8 Å²	57.8	7%	0.068	35%	0.347	C	S	.	.			trans	-84.9	119.2	-178.1	-172.1	72	0	0	0	110.9	L369 Q406 L410 I438 S439 F469	L369-L441 HydrophobicContact CD2-CB 4.45Å; Q406-L441 HydrophobicContact CB-CD1 4.43Å; Q406-L441 HydrophobicContact CB-CD2 3.9Å; Q406-L441 HydrophobicContact CG-CD2 3.85Å; L410-L441 HydrophobicContact CB-CD1 4.04Å; L410-L441 HydrophobicContact CD1-CD1 4.42Å; I438-L441 HydrophobicContact CB-CB 4.37Å; I438-L441 HydrophobicContact CB-CD2 4.46Å; I438-L441 HydrophobicContact CD1-CD2 3.94Å; I438-L441 HydrophobicContact CG1-CD2 4.27Å; I438-L441 PolarHBondContact O-N 2.87Å; I438-L441 VanDerWaalsContact O-N 3.09Å; S439-L441 PolarHBondContact O-N 2.9Å; L441-F469 HydrophobicContact CD1-CD1 4.26Å; L441-F469 HydrophobicContact CD1-CE1 4.24Å; L441-F469 HydrophobicContact CD2-CE1 3.93Å; L441-F469 HydrophobicContact CG-CD1 4.45Å; L441-F469 HydrophobicContact CG-CE1 3.95Å
442	H	84.6	Confident	72.3	Confident	101 Å²	101	59.3 Å²	59.3	47%	0.468	36%	0.362	S	S	.	.			trans	-114.5	89.4	-178.1	-72.9	-20.7	0	0	0	111.1	K466 Y467 S468	H442-K466 WeakPolarHBondContact CB-O 3.34Å; H442-Y467 HydrophobicContact CB-CD1 4.15Å; H442-Y467 CarbonylContact O-C 3.5Å; H442-Y467 VanDerWaalsContact O-CA 3.23Å; H442-Y467 WeakPolarHBondContact O-CA 3.46Å; H442-Y467 WeakPolarHBondContact O-CB 3.49Å; H442-Y467 WeakPolarHBondContact O-CD1 3.39Å; H442-S468 PolarHBondContact N-OG 3.46Å; H442-S468 PolarHBondContact O-N 3.38Å
443	G	87.5	Confident	73.1	Confident	18 Å²	18	63.3 Å²	63.3	19%	0.186	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	157.9	169.3	0	0	0	0	0	113.2	F469	G443-F469 VanDerWaalsContact CA-CE1 3.48Å; G443-F469 VanDerWaalsContact CA-CZ 3.48Å
444	T	88.1	Confident	74.1	Confident	9 Å²	9	66.5 Å²	66.5	6%	0.055	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	166.9	165.8	-164.7	0	0	0	0	110.4	I458 Y467 F469 L470 M471	T444-I458 HydrophobicContact CG2-CG2 3.76Å; T444-Y467 HydrophobicContact CG2-CD1 3.99Å; T444-Y467 HydrophobicContact CG2-CD2 3.7Å; T444-Y467 HydrophobicContact CG2-CE1 4.16Å; T444-Y467 HydrophobicContact CG2-CE2 3.86Å; T444-Y467 HydrophobicContact CG2-CG 3.74Å; T444-F469 PolarHBondContact N-O 3.16Å; T444-F469 VanDerWaalsContact N-O 3.1Å; T444-L470 HydrophobicContact CG2-CB 4.46Å; T444-L470 HydrophobicContact CG2-CD1 3.81Å; T444-M471 PolarHBondContact O-N 3.02Å
445	F	86.8	Confident	75.2	Confident	37 Å²	37	66.5 Å²	66.5	16%	0.162	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	150.5	175.6	64.5	-95.4	0	0	0	112.1	M430 E431 V434 N447 Q450 M471	M430-F445 HydrophobicContact CB-CB 4.38Å; M430-F445 HydrophobicContact CE-CB 4Å; E431-F445 HydrophobicContact CG-CE1 4.18Å; E431-F445 HydrophobicContact CG-CZ 3.94Å; V434-F445 HydrophobicContact CB-CD1 4.12Å; V434-F445 HydrophobicContact CG1-CD1 4.17Å; V434-F445 HydrophobicContact CG2-CD1 4.13Å; F445-N447 HydrophobicContact CD2-CB 4.46Å; F445-N447 WeakPolarHBondContact CE2-ND2 3.36Å; F445-Q450 VanDerWaalsContact CD2-NE2 3.28Å; F445-Q450 PolarHBondContact O-NE2 3.36Å; F445-Q450 PolarHBondContact O-OE1 3.2Å; F445-M471 CarbonylContact C-O 3.55Å; F445-M471 VanDerWaalsContact CA-O 3.3Å; F445-M471 WeakPolarHBondContact CA-O 3.29Å; F445-M471 HydrophobicContact CB-CB 3.94Å
446	L	82.5	Confident	76.6	Confident	3 Å²	3	67 Å²	67	2%	0.016	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	125.4	168	-63	168.8	0	0	0	109.9	K455 I458 L459 L470 M471 L472 W482	L446-K455 HydrophobicContact CD2-CB 4.16Å; L446-K455 HydrophobicContact CD2-CG 3.97Å; L446-I458 HydrophobicContact CD1-CG2 4.44Å; L446-I458 HydrophobicContact CD2-CB 3.95Å; L446-I458 HydrophobicContact CD2-CD1 3.82Å; L446-I458 HydrophobicContact CD2-CG2 3.76Å; L446-I458 HydrophobicContact CG-CG2 4.15Å; L446-L459 HydrophobicContact CD1-CD2 3.85Å; L446-L459 HydrophobicContact CD1-CG 4.3Å; L446-L470 HydrophobicContact CB-CD1 4.29Å; L446-L470 HydrophobicContact CD1-CD1 3.75Å; L446-L470 HydrophobicContact CD1-CD2 4.13Å; L446-L470 HydrophobicContact CG-CD1 3.7Å; L446-M471 PolarHBondContact N-O 3.33Å; L446-L472 HydrophobicContact CB-CD2 3.71Å; L446-L472 HydrophobicContact CD1-CD2 4.44Å; L446-W482 HydrophobicContact CD1-CH2 3.89Å
447	N	77.4	Confident	78	Confident	3 Å²	3	65.5 Å²	65.5	2%	0.016	38%	0.382	C	S	.	.			trans	-138.6	180	-178	73.1	11.6	0	0	0	111.7	F445 S449 Q450 K455	F445-N447 HydrophobicContact CD2-CB 4.46Å; F445-N447 WeakPolarHBondContact CE2-ND2 3.36Å; N447-S449 PolarHBondContact ND2-OG 3.44Å; N447-S449 PolarHBondContact OD1-N 3.2Å; N447-S449 VanDerWaalsContact OD1-N 3.07Å; N447-S449 PolarHBondContact OD1-OG 2.98Å; N447-Q450 WeakPolarHBondContact OD1-CG 3.4Å; N447-Q450 PolarHBondContact OD1-N 3.23Å; N447-Q450 VanDerWaalsContact OD1-N 3.16Å; N447-K455 WeakPolarHBondContact O-CE 3.38Å; N447-K455 PolarHBondContact O-NZ 2.85Å
448	S	70.6	Confident	79.7	Confident	106 Å²	106	59.8 Å²	59.8	74%	0.741	34%	0.344	S	S	*	.	S	Bend	trans	-73.7	-20.3	-179.4	54.8	0	0	0	0	114.9
449	S	70.9	Confident	80.7	Confident	96 Å²	96	58.8 Å²	58.8	67%	0.671	34%	0.339	S	S	*	.	S	Bend	trans	-86.1	-18.3	-175	64.2	0	0	0	0	114.8	N447	N447-S449 PolarHBondContact ND2-OG 3.44Å; N447-S449 PolarHBondContact OD1-N 3.2Å; N447-S449 VanDerWaalsContact OD1-N 3.07Å; N447-S449 PolarHBondContact OD1-OG 2.98Å
450	Q	78.7	Confident	81.6	Confident	35 Å²	35	58.2 Å²	58.2	16%	0.164	33%	0.327	C	S	.	.	S	Bend	trans	-70.5	146.5	174.2	-71	166.5	-13.8	0	0	113.3	F445 N447 K455	F445-Q450 VanDerWaalsContact CD2-NE2 3.28Å; F445-Q450 PolarHBondContact O-NE2 3.36Å; F445-Q450 PolarHBondContact O-OE1 3.2Å; N447-Q450 WeakPolarHBondContact OD1-CG 3.4Å; N447-Q450 PolarHBondContact OD1-N 3.23Å; N447-Q450 VanDerWaalsContact OD1-N 3.16Å; Q450-K455 HydrophobicContact CB-CG 4.17Å; Q450-K455 WeakPolarHBondContact O-CE 3.45Å
451	S	80.3	Confident	82.5	Confident	64 Å²	64	57 Å²	57	45%	0.448	31%	0.307	S	S	.	.			trans	-67.5	154.2	174	64.3	0	0	0	0	112.7	D453 R454 K455	S451-D453 VanDerWaalsContact C-N 3.26Å; S451-D453 PolarHBondContact O-N 3.01Å; S451-R454 PolarHBondContact O-N 3.19Å; S451-R454 WeakPolarHBondContact OG-CB 3.21Å; S451-R454 PolarHBondContact OG-N 3.37Å; S451-K455 WeakPolarHBondContact O-CG 3.44Å; S451-K455 PolarHBondContact O-N 2.72Å
452	V	79.7	Confident	82.8	Confident	118 Å²	118	56.7 Å²	56.7	72%	0.715	31%	0.306	S	S	*	.	H	α-helix	trans	-57.8	-40.4	178.2	-178.7	0	0	0	0	111.4	K455 K456	V452-K455 PolarHBondContact O-N 2.95Å; V452-K456 PolarHBondContact O-N 3.14Å
453	D	82.4	Confident	82.8	Confident	129 Å²	129	56.3 Å²	56.3	69%	0.69	30%	0.304	S	S	*	.	H	α-helix	trans	-64.2	-43	178.9	-47.5	-69.2	0	0	0	111.8	S451 K455 K456 E457	S451-D453 VanDerWaalsContact C-N 3.26Å; S451-D453 PolarHBondContact O-N 3.01Å; D453-K455 VanDerWaalsContact C-N 3.34Å; D453-K455 PolarHBondContact O-N 2.76Å; D453-K456 PolarHBondContact O-N 3.15Å; D453-E457 WeakPolarHBondContact O-CB 3.21Å; D453-E457 PolarHBondContact O-N 3.3Å
454	R	85.7	Confident	82.7	Confident	91 Å²	91	62.8 Å²	62.8	34%	0.343	32%	0.323	S	S	.	.	H	α-helix	trans	-67.7	-34.7	177.8	-178.8	57.1	-173.9	177.4	12.1	111.9	S451 E457 I458	S451-R454 PolarHBondContact O-N 3.19Å; S451-R454 WeakPolarHBondContact OG-CB 3.21Å; S451-R454 PolarHBondContact OG-N 3.37Å; R454-E457 WeakPolarHBondContact CD-OE2 3.47Å; R454-E457 IonicContact CZ-OE1 3.6Å; R454-E457 IonicContact CZ-OE2 3.36Å; R454-E457 IonicContact NE-OE2 3.64Å; R454-E457 IonicContact NH1-OE1 3.04Å; R454-E457 PolarHBondContact NH1-OE1 3.07Å; R454-E457 IonicContact NH1-OE2 3.2Å; R454-E457 PolarHBondContact NH1-OE2 3.13Å; R454-E457 PolarHBondContact O-N 2.82Å; R454-I458 HydrophobicContact CG-CD1 3.99Å; R454-I458 VanDerWaalsContact O-CG1 3.28Å; R454-I458 WeakPolarHBondContact O-CG1 3.08Å; R454-I458 PolarHBondContact O-N 3.01Å
455	K	83.7	Confident	82.5	Confident	40 Å²	40	63 Å²	63	17%	0.174	33%	0.327	C	S	.	.	H	α-helix	trans	-63.1	-47	172.2	-66.2	177.7	178.4	-178.3	0	110.9	L446 N447 Q450 S451 V452 D453 E457 I458 L459	L446-K455 HydrophobicContact CD2-CB 4.16Å; L446-K455 HydrophobicContact CD2-CG 3.97Å; N447-K455 WeakPolarHBondContact O-CE 3.38Å; N447-K455 PolarHBondContact O-NZ 2.85Å; Q450-K455 HydrophobicContact CB-CG 4.17Å; Q450-K455 WeakPolarHBondContact O-CE 3.45Å; S451-K455 WeakPolarHBondContact O-CG 3.44Å; S451-K455 PolarHBondContact O-N 2.72Å; V452-K455 PolarHBondContact O-N 2.95Å; D453-K455 VanDerWaalsContact C-N 3.34Å; D453-K455 PolarHBondContact O-N 2.76Å; K455-E457 VanDerWaalsContact C-N 3.35Å; K455-E457 PolarHBondContact O-N 3.02Å; K455-I458 PolarHBondContact O-N 3.29Å; K455-L459 WeakPolarHBondContact O-CD1 3.44Å; K455-L459 WeakPolarHBondContact O-CG 3.37Å; K455-L459 PolarHBondContact O-N 2.77Å
456	K	82.8	Confident	82.5	Confident	127 Å²	127	65.3 Å²	65.3	55%	0.552	34%	0.337	S	S	*	.	H	α-helix	trans	-58.8	-45.1	176.2	-173.1	175.2	-177.8	-76.2	0	111.8	V452 D453 L459 E460	V452-K456 PolarHBondContact O-N 3.14Å; D453-K456 PolarHBondContact O-N 3.15Å; K456-L459 PolarHBondContact O-N 2.94Å; K456-E460 IonicContact NZ-OE1 3.01Å; K456-E460 PolarHBondContact NZ-OE1 3.49Å; K456-E460 WeakPolarHBondContact O-CB 3.38Å; K456-E460 WeakPolarHBondContact O-CG 3.32Å; K456-E460 PolarHBondContact O-N 2.81Å
457	E	87.4	Confident	82.8	Confident	82 Å²	82	66.1 Å²	66.1	38%	0.383	34%	0.34	S	S	.	.	H	α-helix	trans	-58.5	-49.8	175.5	-171	-165.6	169.1	0	0	112.1	D453 R454 K455 L459 E460 E461	D453-E457 WeakPolarHBondContact O-CB 3.21Å; D453-E457 PolarHBondContact O-N 3.3Å; R454-E457 WeakPolarHBondContact CD-OE2 3.47Å; R454-E457 IonicContact CZ-OE1 3.6Å; R454-E457 IonicContact CZ-OE2 3.36Å; R454-E457 IonicContact NE-OE2 3.64Å; R454-E457 IonicContact NH1-OE1 3.04Å; R454-E457 PolarHBondContact NH1-OE1 3.07Å; R454-E457 IonicContact NH1-OE2 3.2Å; R454-E457 PolarHBondContact NH1-OE2 3.13Å; R454-E457 PolarHBondContact O-N 2.82Å; K455-E457 VanDerWaalsContact C-N 3.35Å; K455-E457 PolarHBondContact O-N 3.02Å; E457-L459 VanDerWaalsContact C-N 3.33Å; E457-L459 PolarHBondContact O-N 2.99Å; E457-E460 PolarHBondContact O-N 2.84Å; E457-E461 WeakPolarHBondContact O-CG 3.1Å; E457-E461 PolarHBondContact O-N 3.45Å
458	I	87	Confident	83.4	Confident	2 Å²	2	66 Å²	66	1%	0.01	34%	0.339	C	S	.	.	H	α-helix	trans	-60.8	-41.5	178.2	-71.2	165.7	0	0	0	111.2	T444 L446 R454 K455 E461 A462 Y467	T444-I458 HydrophobicContact CG2-CG2 3.76Å; L446-I458 HydrophobicContact CD1-CG2 4.44Å; L446-I458 HydrophobicContact CD2-CB 3.95Å; L446-I458 HydrophobicContact CD2-CD1 3.82Å; L446-I458 HydrophobicContact CD2-CG2 3.76Å; L446-I458 HydrophobicContact CG-CG2 4.15Å; R454-I458 HydrophobicContact CG-CD1 3.99Å; R454-I458 VanDerWaalsContact O-CG1 3.28Å; R454-I458 WeakPolarHBondContact O-CG1 3.08Å; R454-I458 PolarHBondContact O-N 3.01Å; K455-I458 PolarHBondContact O-N 3.29Å; I458-E461 PolarHBondContact O-N 2.94Å; I458-A462 WeakPolarHBondContact O-CB 3.22Å; I458-A462 PolarHBondContact O-N 3.3Å; I458-Y467 HydrophobicContact CG2-CE2 4.1Å
459	L	84	Confident	84.4	Confident	18 Å²	18	61 Å²	61	9%	0.094	30%	0.304	C	S	.	.	H	α-helix	trans	-66.1	-43.6	177.5	-66	163.5	0	0	0	111.4	L446 K455 K456 E457 E461 A462 H463 W482 L489	L446-L459 HydrophobicContact CD1-CD2 3.85Å; L446-L459 HydrophobicContact CD1-CG 4.3Å; K455-L459 WeakPolarHBondContact O-CD1 3.44Å; K455-L459 WeakPolarHBondContact O-CG 3.37Å; K455-L459 PolarHBondContact O-N 2.77Å; K456-L459 PolarHBondContact O-N 2.94Å; E457-L459 VanDerWaalsContact C-N 3.33Å; E457-L459 PolarHBondContact O-N 2.99Å; L459-E461 VanDerWaalsContact C-N 3.27Å; L459-E461 PolarHBondContact O-N 3.49Å; L459-A462 PolarHBondContact O-N 3.18Å; L459-H463 PolarHBondContact O-N 2.96Å; L459-H463 PolarHBondContact O-ND1 3.18Å; L459-W482 HydrophobicContact CD1-CE3 4.03Å; L459-W482 HydrophobicContact CD1-CH2 4.17Å; L459-W482 HydrophobicContact CD1-CZ3 3.42Å; L459-W482 VanDerWaalsContact CD1-CZ3 3.42Å; L459-W482 HydrophobicContact CD2-CH2 4.26Å; L459-W482 HydrophobicContact CD2-CZ3 3.92Å; L459-W482 HydrophobicContact CG-CZ3 4.25Å; L459-L489 HydrophobicContact CD2-CD2 4.06Å
460	E	86.1	Confident	85.3	Confident	77 Å²	77	56.5 Å²	56.5	36%	0.36	27%	0.273	S	S	.	.	H	α-helix	trans	-62	-34.7	174.5	-76.2	178.7	-158.7	0	0	112.5	K456 E457 R464	K456-E460 IonicContact NZ-OE1 3.01Å; K456-E460 PolarHBondContact NZ-OE1 3.49Å; K456-E460 WeakPolarHBondContact O-CB 3.38Å; K456-E460 WeakPolarHBondContact O-CG 3.32Å; K456-E460 PolarHBondContact O-N 2.81Å; E457-E460 PolarHBondContact O-N 2.84Å; E460-R464 WeakPolarHBondContact O-CG 3.39Å; E460-R464 PolarHBondContact O-N 2.79Å; E460-R464 PolarHBondContact O-NH1 3.43Å
461	E	87.7	Confident	85.9	Confident	28 Å²	28	54.9 Å²	54.9	13%	0.131	27%	0.265	C	S	.	.	H	α-helix	trans	-71.6	-36.1	172.2	-74	-162.2	136.8	0	0	113.1	E457 I458 L459 R464 G465 K466 Y467	E457-E461 WeakPolarHBondContact O-CG 3.1Å; E457-E461 PolarHBondContact O-N 3.45Å; I458-E461 PolarHBondContact O-N 2.94Å; L459-E461 VanDerWaalsContact C-N 3.27Å; L459-E461 PolarHBondContact O-N 3.49Å; E461-R464 WeakPolarHBondContact O-CB 3.16Å; E461-R464 PolarHBondContact O-N 3.28Å; E461-G465 PolarHBondContact O-N 3.4Å; E461-K466 HydrophobicContact CB-CB 4.24Å; E461-K466 HydrophobicContact CB-CD 3.83Å; E461-K466 HydrophobicContact CG-CD 3.94Å; E461-K466 WeakPolarHBondContact O-CB 3.41Å; E461-K466 PolarHBondContact O-N 2.97Å; E461-K466 VanDerWaalsContact O-N 3.13Å; E461-K466 WeakPolarHBondContact OE1-CD 3.33Å; E461-K466 IonicContact OE1-NZ 2.74Å; E461-K466 PolarHBondContact OE1-NZ 3.13Å; E461-K466 WeakPolarHBondContact OE2-CD 2.92Å; E461-K466 IonicContact OE2-NZ 2.73Å; E461-K466 PolarHBondContact OE2-NZ 2.66Å; E461-Y467 HydrophobicContact CB-CD2 4.27Å; E461-Y467 HydrophobicContact CB-CE2 3.67Å; E461-Y467 PolarHBondContact OE2-OH 3.28Å
462	A	85.9	Confident	86.2	Confident	6 Å²	6	51.8 Å²	51.8	5%	0.05	24%	0.244	C	C	.	.	H	α-helix	trans	-67.2	-41	176.3	0	0	0	0	0	111.8	I458 L459 R464 G465 Y467 P490	I458-A462 WeakPolarHBondContact O-CB 3.22Å; I458-A462 PolarHBondContact O-N 3.3Å; L459-A462 PolarHBondContact O-N 3.18Å; A462-R464 PolarHBondContact O-N 2.75Å; A462-G465 PolarHBondContact O-N 2.58Å; A462-Y467 HydrophobicContact CB-CD2 4.17Å; A462-P490 HydrophobicContact CB-CG 3.88Å
463	H	84.1	Confident	86.5	Confident	93 Å²	93	46.8 Å²	46.8	43%	0.431	21%	0.214	S	C	.	.	H	α-helix	trans	-65	-22.5	171.6	-70	91.9	0	0	0	113.5	L459 G465 G487 R488	L459-H463 PolarHBondContact O-N 2.96Å; L459-H463 PolarHBondContact O-ND1 3.18Å; H463-G465 PolarHBondContact O-N 2.7Å; H463-G487 PolarHBondContact NE2-O 2.68Å; H463-R488 PolarHBondContact CE1-O 2.85Å; H463-R488 VanDerWaalsContact CE1-O 3.28Å
464	R	85.5	Confident	86.5	Confident	155 Å²	155	40.6 Å²	40.6	59%	0.585	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-0	170.4	-72.3	-173.6	-70.8	-92.5	13.4	113.2	E460 E461 A462 K466	E460-R464 WeakPolarHBondContact O-CG 3.39Å; E460-R464 PolarHBondContact O-N 2.79Å; E460-R464 PolarHBondContact O-NH1 3.43Å; E461-R464 WeakPolarHBondContact O-CB 3.16Å; E461-R464 PolarHBondContact O-N 3.28Å; A462-R464 PolarHBondContact O-N 2.75Å; R464-K466 VanDerWaalsContact C-N 3.3Å; R464-K466 PolarHBondContact O-N 3.19Å
465	G	83.9	Confident	86.1	Confident	13 Å²	13	38.2 Å²	38.2	13%	0.134	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	22.5	-176.5	0	0	0	0	0	113.6	Q413 E461 A462 H463 Y467	Q413-G465 PolarHBondContact NE2-O 3.16Å; E461-G465 PolarHBondContact O-N 3.4Å; A462-G465 PolarHBondContact O-N 2.58Å; H463-G465 PolarHBondContact O-N 2.7Å; G465-Y467 VanDerWaalsContact C-N 3.34Å
466	K	86.8	Confident	85.9	Confident	86 Å²	86	37 Å²	37	37%	0.374	17%	0.171	S	C	.	.			trans	-69.7	-30.3	-177.3	-170.6	-170.8	176.7	-175.4	0	113.1	Q413 H442 E461 R464	Q413-K466 PolarHBondContact NE2-O 3.15Å; Q413-K466 VanDerWaalsContact NE2-O 3.08Å; H442-K466 WeakPolarHBondContact CB-O 3.34Å; E461-K466 HydrophobicContact CB-CB 4.24Å; E461-K466 HydrophobicContact CB-CD 3.83Å; E461-K466 HydrophobicContact CG-CD 3.94Å; E461-K466 WeakPolarHBondContact O-CB 3.41Å; E461-K466 PolarHBondContact O-N 2.97Å; E461-K466 VanDerWaalsContact O-N 3.13Å; E461-K466 WeakPolarHBondContact OE1-CD 3.33Å; E461-K466 IonicContact OE1-NZ 2.74Å; E461-K466 PolarHBondContact OE1-NZ 3.13Å; E461-K466 WeakPolarHBondContact OE2-CD 2.92Å; E461-K466 IonicContact OE2-NZ 2.73Å; E461-K466 PolarHBondContact OE2-NZ 2.66Å; R464-K466 VanDerWaalsContact C-N 3.3Å; R464-K466 PolarHBondContact O-N 3.19Å
467	Y	88.9	Confident	85.6	Confident	19 Å²	19	31 Å²	31	8%	0.075	15%	0.145	C	C	.	.			trans	-108.8	141	-172.1	-64.1	-62.8	0	0	0	112	Q413 H442 T444 I458 E461 A462 G465	Q413-Y467 VanDerWaalsContact CD-C 3.5Å; H442-Y467 HydrophobicContact CB-CD1 4.15Å; H442-Y467 CarbonylContact O-C 3.5Å; H442-Y467 VanDerWaalsContact O-CA 3.23Å; H442-Y467 WeakPolarHBondContact O-CA 3.46Å; H442-Y467 WeakPolarHBondContact O-CB 3.49Å; H442-Y467 WeakPolarHBondContact O-CD1 3.39Å; T444-Y467 HydrophobicContact CG2-CD1 3.99Å; T444-Y467 HydrophobicContact CG2-CD2 3.7Å; T444-Y467 HydrophobicContact CG2-CE1 4.16Å; T444-Y467 HydrophobicContact CG2-CE2 3.86Å; T444-Y467 HydrophobicContact CG2-CG 3.74Å; I458-Y467 HydrophobicContact CG2-CE2 4.1Å; E461-Y467 HydrophobicContact CB-CD2 4.27Å; E461-Y467 HydrophobicContact CB-CE2 3.67Å; E461-Y467 PolarHBondContact OE2-OH 3.28Å; A462-Y467 HydrophobicContact CB-CD2 4.17Å; G465-Y467 VanDerWaalsContact C-N 3.34Å
468	S	89.9	Confident	85	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-80.7	-43.9	174.8	-28.2	0	0	0	0	111	Q413 A420 H442	Q413-S468 VanDerWaalsContact OE1-CA 3.24Å; Q413-S468 PolarHBondContact OE1-OG 3.32Å; A420-S468 PolarHBondContact N-O 2.95Å; H442-S468 PolarHBondContact N-OG 3.46Å; H442-S468 PolarHBondContact O-N 3.38Å
469	F	91.2	Very high	84.1	Confident	2 Å²	2	32 Å²	32	1%	0.009	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	147	179.5	69	-89.3	0	0	0	112.7	Y405 Q406 A409 A420 V422 V434 L441 G443 T444 M471	Y405-F469 HydrophobicContact CE2-CD1 4.21Å; Y405-F469 AromaticContact CE2-CD2 3.96Å; Y405-F469 HydrophobicContact CE2-CD2 3.96Å; Y405-F469 HydrophobicContact CE2-CE1 4.35Å; Y405-F469 HydrophobicContact CE2-CE2 4.1Å; Y405-F469 HydrophobicContact CE2-CG 4.02Å; Y405-F469 HydrophobicContact CE2-CZ 4.29Å; Q406-F469 HydrophobicContact CG-CE1 4.45Å; A409-F469 HydrophobicContact CB-CB 4.16Å; A420-F469 HydrophobicContact CB-CB 4.17Å; A420-F469 CarbonylContact O-C 3.54Å; A420-F469 VanDerWaalsContact O-CA 3.27Å; A420-F469 WeakPolarHBondContact O-CA 3.49Å; V422-F469 HydrophobicContact CG2-CB 4Å; V422-F469 HydrophobicContact CG2-CD2 4.04Å; V422-F469 HydrophobicContact CG2-CG 4.35Å; V434-F469 HydrophobicContact CG2-CE2 4.17Å; V434-F469 HydrophobicContact CG2-CZ 4.49Å; L441-F469 HydrophobicContact CD1-CD1 4.26Å; L441-F469 HydrophobicContact CD1-CE1 4.24Å; L441-F469 HydrophobicContact CD2-CE1 3.93Å; L441-F469 HydrophobicContact CG-CD1 4.45Å; L441-F469 HydrophobicContact CG-CE1 3.95Å; G443-F469 VanDerWaalsContact CA-CE1 3.48Å; G443-F469 VanDerWaalsContact CA-CZ 3.48Å; T444-F469 PolarHBondContact N-O 3.16Å; T444-F469 VanDerWaalsContact N-O 3.1Å; F469-M471 HydrophobicContact CD2-CG 3.74Å; F469-M471 HydrophobicContact CE2-CG 3.64Å; F469-M471 HydrophobicContact CE2-SD 3.95Å
470	L	90.2	Very high	83.1	Confident	2 Å²	2	31.8 Å²	31.8	1%	0.01	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	115.1	175.8	167.1	59.2	0	0	0	109.2	V419 A420 L421 V422 T444 L446 L472 L489	V419-L470 HydrophobicContact CG2-CB 4.14Å; A420-L470 PolarHBondContact O-N 2.86Å; L421-L470 HydrophobicContact CD1-CB 4.29Å; L421-L470 HydrophobicContact CD1-CD2 4Å; L421-L470 HydrophobicContact CD1-CG 4.04Å; V422-L470 PolarHBondContact N-O 3.45Å; T444-L470 HydrophobicContact CG2-CB 4.46Å; T444-L470 HydrophobicContact CG2-CD1 3.81Å; L446-L470 HydrophobicContact CB-CD1 4.29Å; L446-L470 HydrophobicContact CD1-CD1 3.75Å; L446-L470 HydrophobicContact CD1-CD2 4.13Å; L446-L470 HydrophobicContact CG-CD1 3.7Å; L470-L472 HydrophobicContact CD1-CD2 4.27Å; L470-L472 HydrophobicContact CG-CD2 4.3Å; L470-L472 HydrophobicContact CG-CG 4.4Å; L470-L489 HydrophobicContact CD2-CD2 3.99Å
471	M	90.1	Very high	81.7	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	134.6	175	-55.1	-168.4	78.4	0	0	112.2	V422 M430 Q433 V434 T444 F445 L446 F469	V422-M471 HydrophobicContact CB-CG 4.13Å; V422-M471 HydrophobicContact CG1-CE 3.95Å; V422-M471 HydrophobicContact CG1-CG 4.38Å; V422-M471 CarbonylContact O-C 3.54Å; V422-M471 VanDerWaalsContact O-CA 3.23Å; V422-M471 WeakPolarHBondContact O-CA 3.21Å; M430-M471 HydrophobicContact CB-CE 4.24Å; M430-M471 HydrophobicContact CB-SD 4.04Å; M430-M471 HydrophobicContact CE-CB 3.57Å; M430-M471 WeakPolarHBondContact CE-O 3.43Å; M430-M471 HydrophobicContact CG-CB 4.35Å; M430-M471 HydrophobicContact CG-CE 3.91Å; M430-M471 HydrophobicContact CG-SD 4.28Å; Q433-M471 HydrophobicContact CB-SD 4.14Å; V434-M471 HydrophobicContact CG2-CG 4.41Å; V434-M471 HydrophobicContact CG2-SD 3.9Å; T444-M471 PolarHBondContact O-N 3.02Å; F445-M471 CarbonylContact C-O 3.55Å; F445-M471 VanDerWaalsContact CA-O 3.3Å; F445-M471 WeakPolarHBondContact CA-O 3.29Å; F445-M471 HydrophobicContact CB-CB 3.94Å; L446-M471 PolarHBondContact N-O 3.33Å; F469-M471 HydrophobicContact CD2-CG 3.74Å; F469-M471 HydrophobicContact CE2-CG 3.64Å; F469-M471 HydrophobicContact CE2-SD 3.95Å
472	L	87.2	Confident	80.4	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	157	174.4	-61.5	-177.1	0	0	0	111.3	L421 V422 I423 S424 M430 L446 L470 I477 M483	L421-L472 HydrophobicContact CD1-CD1 3.65Å; L421-L472 HydrophobicContact CD1-CG 4.03Å; L421-L472 HydrophobicContact CD2-CD1 4.16Å; L421-L472 HydrophobicContact CG-CD1 4.19Å; V422-L472 PolarHBondContact O-N 3Å; I423-L472 WeakPolarHBondContact CA-O 3.19Å; S424-L472 PolarHBondContact N-O 3.15Å; M430-L472 VanDerWaalsContact CE-C 3.4Å; L446-L472 HydrophobicContact CB-CD2 3.71Å; L446-L472 HydrophobicContact CD1-CD2 4.44Å; L470-L472 HydrophobicContact CD1-CD2 4.27Å; L470-L472 HydrophobicContact CG-CD2 4.3Å; L470-L472 HydrophobicContact CG-CG 4.4Å; L472-I477 HydrophobicContact CB-CD1 4.42Å; L472-I477 HydrophobicContact CB-CG1 4.4Å; L472-I477 HydrophobicContact CD1-CD1 4.11Å; L472-I477 HydrophobicContact CD1-CG1 3.69Å; L472-M483 HydrophobicContact CD1-CE 3.57Å; L472-M483 HydrophobicContact CD1-SD 3.62Å; L472-M483 HydrophobicContact CD2-SD 4.24Å
473	S	85.5	Confident	79.2	Confident	12 Å²	12	31.7 Å²	31.7	8%	0.084	15%	0.151	C	C	.	.			trans	-86.8	155.1	158.5	82	0	0	0	0	110.1	S424 E475 A476 I477	S424-S473 WeakPolarHBondContact O-CA 3.5Å; S473-E475 VanDerWaalsContact C-N 3.27Å; S473-E475 PolarHBondContact O-N 2.78Å; S473-A476 WeakPolarHBondContact O-CA 3.35Å; S473-A476 WeakPolarHBondContact O-CB 3.23Å; S473-A476 PolarHBondContact O-N 3.35Å; S473-A476 PolarHBondContact OG-N 3.06Å; S473-A476 VanDerWaalsContact OG-N 3.16Å; S473-I477 PolarHBondContact O-N 2.97Å
474	P	82.1	Confident	77.8	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-63.7	-31.7	177.1	28.1	-37.6	0	0	0	112.4	I423 A476 I477 V478 Y514 V517	I423-P474 HydrophobicContact CG2-CB 4.17Å; P474-A476 VanDerWaalsContact C-N 3.3Å; P474-A476 PolarHBondContact O-N 3.19Å; P474-I477 WeakPolarHBondContact O-CB 3.5Å; P474-I477 PolarHBondContact O-N 2.84Å; P474-V478 WeakPolarHBondContact O-CG2 3.26Å; P474-V478 PolarHBondContact O-N 3.16Å; P474-Y514 HydrophobicContact CB-CD2 4.21Å; P474-Y514 HydrophobicContact CB-CE2 4.22Å; P474-Y514 HydrophobicContact CG-CD2 3.93Å; P474-Y514 HydrophobicContact CG-CE2 3.57Å; P474-V517 HydrophobicContact CB-CG2 3.81Å
475	E	78.7	Confident	76.5	Confident	41 Å²	41	23.9 Å²	23.9	19%	0.192	12%	0.122	C	C	.	.	H	α-helix	trans	-63.4	-37.5	170.6	-66.3	66.2	-128.7	0	0	111.3	S473 I477 V478 D479 R511 S513	S473-E475 VanDerWaalsContact C-N 3.27Å; S473-E475 PolarHBondContact O-N 2.78Å; E475-I477 PolarHBondContact O-N 2.86Å; E475-I477 VanDerWaalsContact O-N 3.13Å; E475-V478 PolarHBondContact O-N 3.43Å; E475-D479 WeakPolarHBondContact O-CB 3.25Å; E475-D479 PolarHBondContact O-N 3.4Å; E475-R511 IonicContact OE1-CZ 2.8Å; E475-R511 IonicContact OE1-NE 3.8Å; E475-R511 IonicContact OE1-NH1 3.26Å; E475-R511 PolarHBondContact OE1-NH1 2.85Å; E475-R511 IonicContact OE1-NH2 3.99Å; E475-R511 PolarHBondContact OE1-NH2 2.83Å; E475-R511 VanDerWaalsContact OE1-NH2 3.1Å; E475-R511 IonicContact OE2-CZ 2.79Å; E475-R511 IonicContact OE2-NH1 2.79Å; E475-R511 PolarHBondContact OE2-NH1 2.77Å; E475-R511 IonicContact OE2-NH2 2.69Å; E475-R511 PolarHBondContact OE2-NH2 3.02Å; E475-S513 VanDerWaalsContact OE1-CB 3.31Å; E475-S513 WeakPolarHBondContact OE1-CB 3.39Å; E475-S513 PolarHBondContact OE1-OG 2.96Å
476	A	78.1	Confident	75	Confident	15 Å²	15	26.8 Å²	26.8	12%	0.124	14%	0.14	C	C	.	.	H	α-helix	trans	-67.3	-9.8	175.2	0	0	0	0	0	113.1	S473 P474 S480 M483	S473-A476 WeakPolarHBondContact O-CA 3.35Å; S473-A476 WeakPolarHBondContact O-CB 3.23Å; S473-A476 PolarHBondContact O-N 3.35Å; S473-A476 PolarHBondContact OG-N 3.06Å; S473-A476 VanDerWaalsContact OG-N 3.16Å; P474-A476 VanDerWaalsContact C-N 3.3Å; P474-A476 PolarHBondContact O-N 3.19Å; A476-S480 WeakPolarHBondContact O-CB 3.44Å; A476-S480 PolarHBondContact O-OG 2.73Å; A476-M483 WeakPolarHBondContact O-CE 3.48Å
477	I	78.5	Confident	73.8	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-94.7	-44.5	169	-62.9	163.1	0	0	0	110.8	I423 L472 S473 P474 E475 M483 V517 L520 L521	I423-I477 HydrophobicContact CD1-CD1 3.46Å; I423-I477 VanDerWaalsContact CD1-CD1 3.46Å; I423-I477 HydrophobicContact CG1-CD1 3.79Å; I423-I477 HydrophobicContact CG2-CD1 4.04Å; L472-I477 HydrophobicContact CB-CD1 4.42Å; L472-I477 HydrophobicContact CB-CG1 4.4Å; L472-I477 HydrophobicContact CD1-CD1 4.11Å; L472-I477 HydrophobicContact CD1-CG1 3.69Å; S473-I477 PolarHBondContact O-N 2.97Å; P474-I477 WeakPolarHBondContact O-CB 3.5Å; P474-I477 PolarHBondContact O-N 2.84Å; E475-I477 PolarHBondContact O-N 2.86Å; E475-I477 VanDerWaalsContact O-N 3.13Å; I477-M483 HydrophobicContact CB-CE 4.09Å; I477-M483 HydrophobicContact CG1-CE 3.65Å; I477-M483 HydrophobicContact CG2-CE 4.46Å; I477-V517 HydrophobicContact CB-CG2 4.18Å; I477-V517 HydrophobicContact CD1-CG1 4.36Å; I477-V517 HydrophobicContact CD1-CG2 4.05Å; I477-V517 HydrophobicContact CG2-CG2 4.19Å; I477-L520 HydrophobicContact CG2-CD1 4.36Å; I477-L521 HydrophobicContact CD1-CD1 4.41Å
478	V	74.1	Confident	72.7	Confident	13 Å²	13	30.4 Å²	30.4	8%	0.079	17%	0.174	C	C	.	.	H	α-helix	trans	-73	-41.9	-176	169.9	0	0	0	0	113.4	P474 E475 R516 L520	P474-V478 WeakPolarHBondContact O-CG2 3.26Å; P474-V478 PolarHBondContact O-N 3.16Å; E475-V478 PolarHBondContact O-N 3.43Å; V478-R516 HydrophobicContact CG2-CB 4.46Å; V478-L520 HydrophobicContact CG2-CD1 3.97Å
479	D	67.8	Low	71.9	Confident	92 Å²	92	31.2 Å²	31.2	49%	0.492	18%	0.178	S	C	.	.	S	Bend	trans	-89.3	-14.8	-176	-63.6	-34.5	0	0	0	113.3	E475 D481	E475-D479 WeakPolarHBondContact O-CB 3.25Å; E475-D479 PolarHBondContact O-N 3.4Å; D479-D481 PolarHBondContact O-N 3.5Å; D479-D481 VanDerWaalsContact O-N 3.16Å
480	S	63.6	Low	71.1	Confident	14 Å²	14	31.2 Å²	31.2	10%	0.098	18%	0.178	C	C	.	.			trans	-87.9	79.7	-172.1	-68.9	0	0	0	0	113.5	A476 W482 M483	A476-S480 WeakPolarHBondContact O-CB 3.44Å; A476-S480 PolarHBondContact O-OG 2.73Å; S480-W482 VanDerWaalsContact CB-NE1 3.28Å; S480-W482 PolarHBondContact O-N 3.41Å; S480-W482 PolarHBondContact OG-NE1 3.08Å; S480-M483 PolarHBondContact O-N 3.07Å
481	D	56.4	Low	70.6	Confident	44 Å²	44	34.9 Å²	34.9	24%	0.235	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.7	-38.7	163.3	159.2	77.4	0	0	0	112.2	D479 M483 Q485 H827 N895	D479-D481 PolarHBondContact O-N 3.5Å; D479-D481 VanDerWaalsContact O-N 3.16Å; D481-M483 PolarHBondContact O-N 2.81Å; D481-M483 VanDerWaalsContact O-N 3.15Å; D481-Q485 VanDerWaalsContact CG-NE2 3.32Å; D481-Q485 WeakPolarHBondContact O-CG 3.39Å; D481-Q485 PolarHBondContact O-NE2 2.88Å; D481-Q485 PolarHBondContact OD1-NE2 3.22Å; D481-Q485 PolarHBondContact OD2-NE2 3.46Å; D481-H827 IonicContact OD1-CE1 3.49Å; D481-N895 VanDerWaalsContact CG-CG 3.49Å; D481-N895 PolarHBondContact OD1-ND2 2.93Å; D481-N895 VanDerWaalsContact OD2-CG 3.31Å; D481-N895 PolarHBondContact OD2-ND2 2.85Å
482	W	59.6	Low	70.4	Confident	61 Å²	61	36 Å²	36	23%	0.231	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-20.1	-176.3	72.1	-92.6	0	0	0	114.2	L446 L459 S480 R488	L446-W482 HydrophobicContact CD1-CH2 3.89Å; L459-W482 HydrophobicContact CD1-CE3 4.03Å; L459-W482 HydrophobicContact CD1-CH2 4.17Å; L459-W482 HydrophobicContact CD1-CZ3 3.42Å; L459-W482 VanDerWaalsContact CD1-CZ3 3.42Å; L459-W482 HydrophobicContact CD2-CH2 4.26Å; L459-W482 HydrophobicContact CD2-CZ3 3.92Å; L459-W482 HydrophobicContact CG-CZ3 4.25Å; S480-W482 VanDerWaalsContact CB-NE1 3.28Å; S480-W482 PolarHBondContact O-N 3.41Å; S480-W482 PolarHBondContact OG-NE1 3.08Å; W482-R488 WeakPolarHBondContact O-CD 3.32Å; W482-R488 PolarHBondContact O-NH1 3.36Å
483	M	60.7	Low	70.3	Confident	4 Å²	4	36.4 Å²	36.4	2%	0.02	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-30	-169.1	-167.4	173.9	70.6	0	0	113.4	L472 A476 I477 S480 D481 Q485 L489	L472-M483 HydrophobicContact CD1-CE 3.57Å; L472-M483 HydrophobicContact CD1-SD 3.62Å; L472-M483 HydrophobicContact CD2-SD 4.24Å; A476-M483 WeakPolarHBondContact O-CE 3.48Å; I477-M483 HydrophobicContact CB-CE 4.09Å; I477-M483 HydrophobicContact CG1-CE 3.65Å; I477-M483 HydrophobicContact CG2-CE 4.46Å; S480-M483 PolarHBondContact O-N 3.07Å; D481-M483 PolarHBondContact O-N 2.81Å; D481-M483 VanDerWaalsContact O-N 3.15Å; M483-Q485 PolarHBondContact O-N 3.43Å; M483-Q485 VanDerWaalsContact O-N 3.15Å; M483-L489 HydrophobicContact CG-CD1 3.75Å; M483-L489 HydrophobicContact CG-CD2 3.91Å; M483-L489 HydrophobicContact CG-CG 3.84Å; M483-L489 HydrophobicContact SD-CD1 4.25Å; M483-L489 HydrophobicContact SD-CD2 4.2Å
484	L	54.8	Low	70.7	Confident	22 Å²	22	35.9 Å²	35.9	12%	0.115	21%	0.207	C	C	.	.	S	Bend	trans	-77.8	16.6	173.4	-62.2	173.4	0	0	0	112.9	Y524	L484-Y524 HydrophobicContact CB-CD1 3.88Å; L484-Y524 HydrophobicContact CB-CE1 3.99Å; L484-Y524 HydrophobicContact CD1-CD1 4.45Å; L484-Y524 HydrophobicContact CD1-CE1 4.06Å; L484-Y524 HydrophobicContact CD2-CD1 4.19Å; L484-Y524 HydrophobicContact CD2-CG 4.1Å; L484-Y524 HydrophobicContact CG-CD1 4.4Å; L484-Y524 HydrophobicContact CG-CE1 4.45Å
485	Q	59.1	Low	71.2	Confident	62 Å²	62	35.9 Å²	35.9	29%	0.29	21%	0.207	S	C	.	.	S	Bend	trans	-94.8	126.5	178	-73.2	167.7	16.4	0	0	109.3	D481 M483 G487 R488	D481-Q485 VanDerWaalsContact CG-NE2 3.32Å; D481-Q485 WeakPolarHBondContact O-CG 3.39Å; D481-Q485 PolarHBondContact O-NE2 2.88Å; D481-Q485 PolarHBondContact OD1-NE2 3.22Å; D481-Q485 PolarHBondContact OD2-NE2 3.46Å; M483-Q485 PolarHBondContact O-N 3.43Å; M483-Q485 VanDerWaalsContact O-N 3.15Å; Q485-G487 PolarHBondContact O-N 3.29Å; Q485-R488 WeakPolarHBondContact O-CB 3.02Å; Q485-R488 PolarHBondContact O-N 3.49Å; Q485-R488 VanDerWaalsContact OE1-CZ 3.29Å
486	S	52.7	Low	72	Confident	74 Å²	74	33.9 Å²	33.9	52%	0.517	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.8	132.5	-178.7	-55.7	0	0	0	0	112.7	E344 R488	E344-S486 WeakPolarHBondContact OE2-CB 3.26Å; E344-S486 PolarHBondContact OE2-OG 2.86Å; S486-R488 VanDerWaalsContact C-N 3.34Å; S486-R488 PolarHBondContact O-N 2.97Å
487	G	60.8	Low	72.7	Confident	72 Å²	72	33.2 Å²	33.2	74%	0.742	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.9	17.3	177.4	0	0	0	0	0	116	H463 Q485	H463-G487 PolarHBondContact NE2-O 2.68Å; Q485-G487 PolarHBondContact O-N 3.29Å
488	R	66.6	Low	73.3	Confident	109 Å²	109	33.6 Å²	33.6	41%	0.411	19%	0.194	S	C	.	.	S	Bend	trans	-101.8	-12	171.6	-98.5	-169	178.1	161.3	10	116.2	H463 W482 Q485 S486	H463-R488 PolarHBondContact CE1-O 2.85Å; H463-R488 VanDerWaalsContact CE1-O 3.28Å; W482-R488 WeakPolarHBondContact O-CD 3.32Å; W482-R488 PolarHBondContact O-NH1 3.36Å; Q485-R488 WeakPolarHBondContact O-CB 3.02Å; Q485-R488 PolarHBondContact O-N 3.49Å; Q485-R488 VanDerWaalsContact OE1-CZ 3.29Å; S486-R488 VanDerWaalsContact C-N 3.34Å; S486-R488 PolarHBondContact O-N 2.97Å
489	L	71.5	Confident	73.9	Confident	16 Å²	16	34.5 Å²	34.5	8%	0.084	20%	0.197	C	C	.	.	S	Bend	trans	-105.5	146.1	164.4	-72.8	176.9	0	0	0	108.9	L459 L470 M483 I492 M525	L459-L489 HydrophobicContact CD2-CD2 4.06Å; L470-L489 HydrophobicContact CD2-CD2 3.99Å; M483-L489 HydrophobicContact CG-CD1 3.75Å; M483-L489 HydrophobicContact CG-CD2 3.91Å; M483-L489 HydrophobicContact CG-CG 3.84Å; M483-L489 HydrophobicContact SD-CD1 4.25Å; M483-L489 HydrophobicContact SD-CD2 4.2Å; L489-I492 HydrophobicContact CD1-CD1 4.27Å; L489-M525 HydrophobicContact CB-CE 3.98Å; L489-M525 HydrophobicContact CD1-CE 3.94Å; L489-M525 HydrophobicContact CD1-SD 4.26Å
490	P	74.6	Confident	74.9	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.013	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-61.1	162.9	167.2	33.2	-40.8	0	0	0	110.5	V419 A462 I492	V419-P490 HydrophobicContact CB-CG 4.08Å; V419-P490 HydrophobicContact CG1-CG 3.56Å; A462-P490 HydrophobicContact CB-CG 3.88Å; P490-I492 PolarHBondContact O-N 2.82Å
491	P	79.9	Confident	76	Confident	79 Å²	79	29.7 Å²	29.7	51%	0.513	17%	0.17	S	C	.	.	P	Polyproline II helix	trans	-59.2	125.2	176.7	26.1	-35.1	0	0	0	110.8	T418 V419	T418-P491 VanDerWaalsContact CA-O 3.26Å; T418-P491 WeakPolarHBondContact CA-O 2.99Å; T418-P491 VanDerWaalsContact CB-O 3.25Å; T418-P491 WeakPolarHBondContact CB-O 3.35Å; T418-P491 HydrophobicContact CG2-CB 4.04Å; T418-P491 HydrophobicContact CG2-CG 4.08Å; V419-P491 PolarHBondContact N-O 3.37Å
492	I	85.7	Confident	77.3	Confident	24 Å²	24	27.9 Å²	27.9	12%	0.123	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	134.5	-177	-59.7	176.3	0	0	0	109.1	V419 L421 L489 P490 F494 V495 M525 V527	V419-I492 CarbonylContact O-C 3.39Å; V419-I492 VanDerWaalsContact O-CA 3.32Å; V419-I492 WeakPolarHBondContact O-CA 3.5Å; L421-I492 HydrophobicContact CB-CG2 4.32Å; L421-I492 HydrophobicContact CD2-CD1 4.37Å; L489-I492 HydrophobicContact CD1-CD1 4.27Å; P490-I492 PolarHBondContact O-N 2.82Å; I492-F494 WeakPolarHBondContact CG2-O 3.3Å; I492-V495 HydrophobicContact CG2-CG2 4.4Å; I492-M525 HydrophobicContact CD1-CB 4.41Å; I492-M525 HydrophobicContact CD1-CE 3.92Å; I492-M525 HydrophobicContact CD1-CG 4.48Å; I492-V527 HydrophobicContact CB-CG2 4.29Å; I492-V527 HydrophobicContact CD1-CG2 4.33Å; I492-V527 HydrophobicContact CG2-CG2 4.01Å
493	S	86.4	Confident	78.4	Confident	9 Å²	9	25 Å²	25	6%	0.063	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-47.9	174	53.1	0	0	0	0	112.8	H412 V419	H412-S493 WeakPolarHBondContact ND1-CB 3.19Å; H412-S493 PolarHBondContact ND1-OG 3.29Å; V419-S493 PolarHBondContact O-N 3.33Å; V419-S493 PolarHBondContact O-OG 2.97Å
494	F	92.2	Very high	79.1	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	166	174.7	64.2	-83.5	0	0	0	110.5	T385 P408 A409 H412 A420 L421 I492 C496 C529 L531	T385-F494 HydrophobicContact CG2-CB 4.42Å; T385-F494 HydrophobicContact CG2-CD1 3.9Å; T385-F494 HydrophobicContact CG2-CD2 3.65Å; T385-F494 HydrophobicContact CG2-CE1 4.02Å; T385-F494 HydrophobicContact CG2-CE2 3.78Å; T385-F494 HydrophobicContact CG2-CG 3.72Å; T385-F494 HydrophobicContact CG2-CZ 3.97Å; P408-F494 HydrophobicContact CB-CE1 3.9Å; P408-F494 HydrophobicContact CB-CZ 4.04Å; P408-F494 HydrophobicContact CG-CE1 4.23Å; P408-F494 HydrophobicContact CG-CZ 3.83Å; A409-F494 HydrophobicContact CB-CZ 4.3Å; H412-F494 AromaticContact CE1-CD1 3.98Å; H412-F494 AromaticContact ND1-CD1 3.52Å; H412-F494 AromaticContact ND1-CE1 3.61Å; A420-F494 HydrophobicContact CB-CD1 4.22Å; A420-F494 HydrophobicContact CB-CE1 3.62Å; A420-F494 HydrophobicContact CB-CE2 4.01Å; A420-F494 HydrophobicContact CB-CZ 3.49Å; A420-F494 VanDerWaalsContact CB-CZ 3.49Å; L421-F494 PolarHBondContact N-O 3.22Å; I492-F494 WeakPolarHBondContact CG2-O 3.3Å; F494-C496 HydrophobicContact CE2-CB 4.25Å; F494-C529 HydrophobicContact CB-CB 3.99Å; F494-L531 HydrophobicContact CD2-CB 4.43Å; F494-L531 HydrophobicContact CE2-CD2 4.4Å
495	V	93.6	Very high	79.5	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	119.6	172.8	168.4	0	0	0	0	109.6	L421 I423 I492 I497 L521 V527 C529 F530 L531	L421-V495 HydrophobicContact CB-CG2 3.98Å; L421-V495 HydrophobicContact CD2-CG2 4.12Å; L421-V495 CarbonylContact O-C 3.59Å; L421-V495 WeakPolarHBondContact O-CA 3.03Å; I423-V495 HydrophobicContact CD1-CG1 3.49Å; I423-V495 VanDerWaalsContact CD1-CG1 3.49Å; I423-V495 HydrophobicContact CG1-CG1 4.2Å; I492-V495 HydrophobicContact CG2-CG2 4.4Å; V495-I497 HydrophobicContact CG1-CD1 4.35Å; V495-I497 HydrophobicContact CG1-CG1 3.82Å; V495-L521 HydrophobicContact CG1-CD1 3.89Å; V495-L521 HydrophobicContact CG2-CD1 3.9Å; V495-V527 HydrophobicContact CB-CG1 4.15Å; V495-V527 HydrophobicContact CG2-CB 4.22Å; V495-V527 HydrophobicContact CG2-CG1 3.69Å; V495-V527 HydrophobicContact CG2-CG2 4.01Å; V495-C529 PolarHBondContact N-O 3.29Å; V495-F530 HydrophobicContact CB-CD1 3.73Å; V495-F530 HydrophobicContact CB-CE1 3.91Å; V495-F530 HydrophobicContact CG1-CD1 3.77Å; V495-F530 HydrophobicContact CG1-CE1 3.97Å; V495-F530 HydrophobicContact CG2-CE1 4.29Å; V495-F530 CarbonylContact O-C 3.49Å; V495-F530 VanDerWaalsContact O-CA 3.31Å; V495-F530 WeakPolarHBondContact O-CA 3.38Å; V495-L531 PolarHBondContact O-N 2.89Å
496	C	94.8	Very high	79.4	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	130.9	165	-177.3	0	0	0	0	109.9	Y405 L421 V422 I423 F494 L531 L533	Y405-C496 HydrophobicContact CG-CB 4.37Å; L421-C496 PolarHBondContact O-N 2.81Å; V422-C496 CarbonylContact C-O 3.59Å; V422-C496 WeakPolarHBondContact CA-O 3.13Å; V422-C496 HydrophobicContact CG1-CB 4.47Å; V422-C496 HydrophobicContact CG2-CB 4.15Å; I423-C496 PolarHBondContact N-O 3.01Å; F494-C496 HydrophobicContact CE2-CB 4.25Å; C496-L531 CarbonylContact C-O 3.6Å; C496-L531 VanDerWaalsContact CA-O 3.29Å; C496-L531 WeakPolarHBondContact CA-O 3.46Å; C496-L533 WeakPolarHBondContact SG-CD1 3.41Å
497	I	93.3	Very high	79.4	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	105.3	174.4	-53.2	-173.3	0	0	0	107.7	I423 V495 A500 L503 Y514 V517 C518 F530 L531 L533 L549	I423-I497 HydrophobicContact CD1-CG1 4.39Å; V495-I497 HydrophobicContact CG1-CD1 4.35Å; V495-I497 HydrophobicContact CG1-CG1 3.82Å; I497-A500 HydrophobicContact CG2-CB 4.39Å; I497-L503 HydrophobicContact CD1-CD1 4.01Å; I497-L503 HydrophobicContact CD1-CD2 4.33Å; I497-L503 HydrophobicContact CG2-CD1 4.03Å; I497-L503 HydrophobicContact CG2-CG 4.3Å; I497-Y514 HydrophobicContact CG2-CD1 3.92Å; I497-Y514 HydrophobicContact CG2-CE1 3.58Å; I497-V517 HydrophobicContact CD1-CG1 4.45Å; I497-C518 WeakPolarHBondContact CD1-SG 3.02Å; I497-F530 HydrophobicContact CD1-CD1 4.11Å; I497-L531 PolarHBondContact N-O 2.93Å; I497-L533 PolarHBondContact O-N 3.3Å; I497-L549 HydrophobicContact CD1-CD2 4.05Å
498	D	90.5	Very high	79.2	Confident	9 Å²	9	23.3 Å²	23.3	5%	0.048	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	143.9	177.1	-177	42.9	0	0	0	110.6	I423 S424 L429 A500 Y514	I423-D498 WeakPolarHBondContact O-CB 3.47Å; I423-D498 PolarHBondContact O-N 3.31Å; S424-D498 WeakPolarHBondContact CB-OD2 3.38Å; S424-D498 PolarHBondContact OG-OD2 2.8Å; L429-D498 WeakPolarHBondContact CD2-OD2 3.14Å; D498-A500 VanDerWaalsContact C-N 3.3Å; D498-A500 PolarHBondContact O-N 3.43Å; D498-Y514 PolarHBondContact O-OH 3.25Å
499	E	86.9	Confident	78.9	Confident	31 Å²	31	20.9 Å²	20.9	15%	0.145	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	50.8	-162.4	-56.3	-62.9	-170.1	0	0	113.1	P425 H501 C502 L533	P425-E499 HydrophobicContact CG-CB 4.13Å; P425-E499 HydrophobicContact CG-CG 4.42Å; E499-H501 PolarHBondContact O-N 3.17Å; E499-H501 IonicContact OE2-CE1 3.71Å; E499-H501 PolarHBondContact OE2-CE1 3.22Å; E499-H501 IonicContact OE2-ND1 3.79Å; E499-C502 WeakPolarHBondContact O-CB 3.38Å; E499-C502 PolarHBondContact O-N 2.6Å; E499-C502 PolarHBondContact O-SG 3.46Å; E499-L533 WeakPolarHBondContact CA-O 3.18Å; E499-L533 PolarHBondContact N-O 3.08Å; E499-L533 VanDerWaalsContact N-O 3.12Å
500	A	90	Very high	78.3	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-55.4	-14.4	-177.2	0	0	0	0	0	115.1	L392 I497 D498 C502 L503 L533 I545	L392-A500 HydrophobicContact CD1-CB 4.2Å; I497-A500 HydrophobicContact CG2-CB 4.39Å; D498-A500 VanDerWaalsContact C-N 3.3Å; D498-A500 PolarHBondContact O-N 3.43Å; A500-C502 PolarHBondContact O-N 3.1Å; A500-L503 HydrophobicContact CB-CD1 4.23Å; A500-L503 VanDerWaalsContact O-CB 3.25Å; A500-L503 WeakPolarHBondContact O-CB 3.48Å; A500-L503 PolarHBondContact O-N 2.91Å; A500-L533 WeakPolarHBondContact CB-O 2.93Å; A500-L533 PolarHBondContact N-O 3.16Å; A500-I545 HydrophobicContact CB-CG2 4.46Å; A500-I545 WeakPolarHBondContact O-CG1 3.45Å
501	H	86.9	Confident	78.1	Confident	6 Å²	6	25.7 Å²	25.7	3%	0.028	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-59.4	-26.7	169.9	61.1	-91.1	0	0	0	112.8	E499 L503 A504 S507 H509 S534 V541 Q710	E499-H501 PolarHBondContact O-N 3.17Å; E499-H501 IonicContact OE2-CE1 3.71Å; E499-H501 PolarHBondContact OE2-CE1 3.22Å; E499-H501 IonicContact OE2-ND1 3.79Å; H501-L503 PolarHBondContact O-N 2.81Å; H501-L503 VanDerWaalsContact O-N 3.09Å; H501-A504 PolarHBondContact O-N 2.81Å; H501-S507 WeakPolarHBondContact O-CB 3.36Å; H501-S507 PolarHBondContact O-OG 2.05Å; H501-H509 AromaticContact CD2-ND1 3.63Å; H501-H509 AromaticContact NE2-CG 3.76Å; H501-H509 AromaticContact NE2-ND1 3.24Å; H501-H509 PolarHBondContact NE2-ND1 2.97Å; H501-S534 PolarHBondContact ND1-OG 3.5Å; H501-V541 HydrophobicContact CB-CG1 4.4Å; H501-Q710 PolarHBondContact CE1-NE2 3.41Å; H501-Q710 PolarHBondContact NE2-NE2 2.95Å
502	C	83	Confident	77.4	Confident	6 Å²	6	23 Å²	23	4%	0.041	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-60.8	-14.2	172.1	-58.9	0	0	0	0	114.3	E499 A500 A504 Y514	E499-C502 WeakPolarHBondContact O-CB 3.38Å; E499-C502 PolarHBondContact O-N 2.6Å; E499-C502 PolarHBondContact O-SG 3.46Å; A500-C502 PolarHBondContact O-N 3.1Å; C502-A504 VanDerWaalsContact C-N 3.32Å; C502-Y514 HydrophobicContact CB-CD1 4.01Å; C502-Y514 HydrophobicContact CB-CD2 3.51Å; C502-Y514 HydrophobicContact CB-CE1 4.07Å; C502-Y514 HydrophobicContact CB-CE2 3.55Å; C502-Y514 HydrophobicContact CB-CG 3.73Å; C502-Y514 WeakPolarHBondContact O-CB 3.29Å
503	L	81.9	Confident	76.7	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-75.7	-15	173	-69.7	165.4	0	0	0	113.6	I497 A500 H501 Y514 L515 C518 N544 I545 N548 L549	I497-L503 HydrophobicContact CD1-CD1 4.01Å; I497-L503 HydrophobicContact CD1-CD2 4.33Å; I497-L503 HydrophobicContact CG2-CD1 4.03Å; I497-L503 HydrophobicContact CG2-CG 4.3Å; A500-L503 HydrophobicContact CB-CD1 4.23Å; A500-L503 VanDerWaalsContact O-CB 3.25Å; A500-L503 WeakPolarHBondContact O-CB 3.48Å; A500-L503 PolarHBondContact O-N 2.91Å; H501-L503 PolarHBondContact O-N 2.81Å; H501-L503 VanDerWaalsContact O-N 3.09Å; L503-Y514 HydrophobicContact CD2-CD1 4.04Å; L503-Y514 VanDerWaalsContact CD2-O 3.29Å; L503-Y514 WeakPolarHBondContact CD2-O 3.47Å; L503-Y514 HydrophobicContact CG-CD1 4.11Å; L503-L515 WeakPolarHBondContact O-CD2 3.35Å; L503-C518 VanDerWaalsContact CD2-SG 3.56Å; L503-N544 PolarHBondContact O-OD1 3.22Å; L503-I545 HydrophobicContact CB-CG1 4.32Å; L503-I545 HydrophobicContact CD1-CG2 3.99Å; L503-N548 PolarHBondContact O-ND2 2.82Å; L503-L549 HydrophobicContact CD1-CD2 3.88Å; L503-L549 HydrophobicContact CD1-CG 4.38Å
504	A	76.4	Confident	76.3	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.105	C	C	.	.			trans	-95.2	128.1	-178.2	0	0	0	0	0	111.9	H501 C502 W506 S507 F510 V541 N544 I545	H501-A504 PolarHBondContact O-N 2.81Å; C502-A504 VanDerWaalsContact C-N 3.32Å; A504-W506 PolarHBondContact O-N 2.67Å; A504-W506 VanDerWaalsContact O-N 3.16Å; A504-S507 WeakPolarHBondContact O-CB 3.47Å; A504-S507 PolarHBondContact O-N 2.94Å; A504-S507 PolarHBondContact O-OG 3.21Å; A504-F510 WeakPolarHBondContact O-CD2 3.46Å; A504-V541 HydrophobicContact CB-CB 4.41Å; A504-V541 HydrophobicContact CB-CG1 3.96Å; A504-V541 HydrophobicContact CB-CG2 4.32Å; A504-N544 WeakPolarHBondContact CA-OD1 3.23Å; A504-N544 HydrophobicContact CB-CB 4.12Å; A504-I545 HydrophobicContact CB-CG1 4.22Å
505	D	63.8	Low	75.3	Confident	28 Å²	28	22.7 Å²	22.7	15%	0.15	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-34.9	176	-49	-74.4	0	0	0	112.5	S507 F510 L515 N544	D505-S507 VanDerWaalsContact C-N 3.33Å; D505-S507 PolarHBondContact O-N 3.5Å; D505-F510 HydrophobicContact CB-CE2 4.41Å; D505-L515 WeakPolarHBondContact OD1-CD2 3.35Å; D505-N544 PolarHBondContact OD2-ND2 3.28Å
506	W	56.4	Low	74.4	Confident	108 Å²	108	24 Å²	24	41%	0.409	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	1.2	-177.9	-58.3	105.7	0	0	0	114.4	A504 Q964 A968	A504-W506 PolarHBondContact O-N 2.67Å; A504-W506 VanDerWaalsContact O-N 3.16Å; W506-Q964 HydrophobicContact CH2-CB 3.76Å; W506-Q964 HydrophobicContact CH2-CG 4.05Å; W506-Q964 HydrophobicContact CZ3-CB 3.79Å; W506-Q964 HydrophobicContact CZ3-CG 4.48Å; W506-A968 HydrophobicContact CE3-CB 4.37Å
507	S	53.2	Low	73.9	Confident	11 Å²	11	24 Å²	24	8%	0.077	11%	0.111	C	C	.	.			trans	-78.6	139.3	-177.5	65.9	0	0	0	0	112.4	H501 A504 D505 H509 F510	H501-S507 WeakPolarHBondContact O-CB 3.36Å; H501-S507 PolarHBondContact O-OG 2.05Å; A504-S507 WeakPolarHBondContact O-CB 3.47Å; A504-S507 PolarHBondContact O-N 2.94Å; A504-S507 PolarHBondContact O-OG 3.21Å; D505-S507 VanDerWaalsContact C-N 3.33Å; D505-S507 PolarHBondContact O-N 3.5Å; S507-H509 PolarHBondContact O-N 3.16Å; S507-F510 VanDerWaalsContact O-CB 3.3Å; S507-F510 WeakPolarHBondContact O-CB 3.49Å; S507-F510 PolarHBondContact O-N 2.81Å; S507-F510 WeakPolarHBondContact OG-CA 3.36Å; S507-F510 PolarHBondContact OG-N 3.11Å
508	N	56.6	Low	73.5	Confident	52 Å²	52	24.1 Å²	24.1	28%	0.278	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-3.8	172.8	-75.5	-62.9	0	0	0	114.4	S704 E706 S972	N508-S704 VanDerWaalsContact ND2-CB 3.31Å; N508-S704 WeakPolarHBondContact ND2-CB 3.24Å; N508-E706 PolarHBondContact ND2-OE1 2.91Å; N508-E706 VanDerWaalsContact ND2-OE1 3.15Å; N508-E706 PolarHBondContact ND2-OE2 3.39Å; N508-S972 PolarHBondContact ND2-OG 3.02Å; N508-S972 VanDerWaalsContact ND2-OG 3.12Å
509	H	59.2	Low	72.9	Confident	57 Å²	57	27.6 Å²	27.6	26%	0.264	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.7	19.8	174.6	-59.6	114.3	0	0	0	112.9	H501 S507 R511 E706 N707 Q710	H501-H509 AromaticContact CD2-ND1 3.63Å; H501-H509 AromaticContact NE2-CG 3.76Å; H501-H509 AromaticContact NE2-ND1 3.24Å; H501-H509 PolarHBondContact NE2-ND1 2.97Å; S507-H509 PolarHBondContact O-N 3.16Å; H509-R511 PolarHBondContact O-N 2.87Å; H509-E706 VanDerWaalsContact CE1-C 3.45Å; H509-N707 VanDerWaalsContact CE1-CG 3.46Å; H509-N707 PolarHBondContact CE1-N 3.07Å; H509-N707 VanDerWaalsContact CE1-N 3.26Å; H509-N707 PolarHBondContact CE1-ND2 3.21Å; H509-N707 PolarHBondContact NE2-ND2 2.82Å; H509-N707 PolarHBondContact NE2-OD1 3.16Å; H509-Q710 PolarHBondContact CE1-NE2 2.72Å; H509-Q710 PolarHBondContact CE1-OE1 2.82Å
510	F	59.3	Low	72.5	Confident	40 Å²	40	27 Å²	27	18%	0.175	13%	0.128	C	C	.	.			trans	-49.1	130.6	-177.3	176.5	-111	0	0	0	113.1	A504 D505 S507 P512 L515 T809 Y813	A504-F510 WeakPolarHBondContact O-CD2 3.46Å; D505-F510 HydrophobicContact CB-CE2 4.41Å; S507-F510 VanDerWaalsContact O-CB 3.3Å; S507-F510 WeakPolarHBondContact O-CB 3.49Å; S507-F510 PolarHBondContact O-N 2.81Å; S507-F510 WeakPolarHBondContact OG-CA 3.36Å; S507-F510 PolarHBondContact OG-N 3.11Å; F510-P512 HydrophobicContact CE1-CG 4.03Å; F510-P512 HydrophobicContact CZ-CG 4.47Å; F510-L515 HydrophobicContact CE2-CD1 3.32Å; F510-L515 HydrophobicContact CE2-CD2 4.13Å; F510-L515 HydrophobicContact CE2-CG 3.84Å; F510-L515 HydrophobicContact CZ-CD1 3.34Å; F510-L515 HydrophobicContact CZ-CG 4.34Å; F510-T809 HydrophobicContact CD1-CG2 4.45Å; F510-T809 HydrophobicContact CE1-CG2 3.88Å; F510-Y813 AromaticContact CE1-CE1 3.58Å; F510-Y813 HydrophobicContact CE1-CE1 3.58Å; F510-Y813 AromaticContact CE1-CZ 3.72Å; F510-Y813 WeakPolarHBondContact CE1-OH 3.35Å; F510-Y813 HydrophobicContact CZ-CD1 4.36Å; F510-Y813 AromaticContact CZ-CE1 3.55Å; F510-Y813 HydrophobicContact CZ-CE1 3.55Å
511	R	69.4	Low	72.2	Confident	80 Å²	80	27.1 Å²	27.1	30%	0.302	13%	0.129	S	C	.	.			trans	-141.9	104.4	-173.3	-168.2	167.9	-163.9	-120.1	-6.7	110.2	E475 H509 S513 Y514	E475-R511 IonicContact OE1-CZ 2.8Å; E475-R511 IonicContact OE1-NE 3.8Å; E475-R511 IonicContact OE1-NH1 3.26Å; E475-R511 PolarHBondContact OE1-NH1 2.85Å; E475-R511 IonicContact OE1-NH2 3.99Å; E475-R511 PolarHBondContact OE1-NH2 2.83Å; E475-R511 VanDerWaalsContact OE1-NH2 3.1Å; E475-R511 IonicContact OE2-CZ 2.79Å; E475-R511 IonicContact OE2-NH1 2.79Å; E475-R511 PolarHBondContact OE2-NH1 2.77Å; E475-R511 IonicContact OE2-NH2 2.69Å; E475-R511 PolarHBondContact OE2-NH2 3.02Å; H509-R511 PolarHBondContact O-N 2.87Å; R511-S513 PolarHBondContact O-N 3.19Å; R511-Y514 HydrophobicContact CB-CD2 4.01Å; R511-Y514 HydrophobicContact CG-CD2 4.37Å; R511-Y514 WeakPolarHBondContact O-CB 3.48Å; R511-Y514 PolarHBondContact O-N 3.24Å
512	P	67	Low	71.9	Confident	21 Å²	21	30 Å²	30	14%	0.136	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-33.1	-166.5	-33.8	36.1	0	0	0	116.6	F510 Y514 T809 A812	F510-P512 HydrophobicContact CE1-CG 4.03Å; F510-P512 HydrophobicContact CZ-CG 4.47Å; P512-Y514 PolarHBondContact O-N 2.98Å; P512-T809 VanDerWaalsContact CG-CA 3.44Å; P512-T809 HydrophobicContact CG-CG2 4.36Å; P512-T809 WeakPolarHBondContact CG-OG1 3.31Å; P512-A812 HydrophobicContact CB-CB 3.73Å
513	S	71.3	Confident	71.4	Confident	21 Å²	21	33.9 Å²	33.9	15%	0.147	16%	0.156	C	C	.	.	H	α-helix	trans	-52	-36.8	175.4	-40.3	0	0	0	0	113.5	E475 R511 R516 V517	E475-S513 VanDerWaalsContact OE1-CB 3.31Å; E475-S513 WeakPolarHBondContact OE1-CB 3.39Å; E475-S513 PolarHBondContact OE1-OG 2.96Å; R511-S513 PolarHBondContact O-N 3.19Å; S513-R516 PolarHBondContact O-N 2.85Å; S513-V517 WeakPolarHBondContact O-CG2 3.31Å; S513-V517 PolarHBondContact O-N 3.46Å; S513-V517 VanDerWaalsContact O-N 3.16Å
514	Y	76.8	Confident	70.8	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-68.9	-42	-172.2	-92.3	-89.8	0	0	0	113.8	P425 P474 I497 D498 C502 L503 R511 P512 R516 V517	P425-Y514 HydrophobicContact CB-CE2 4.17Å; P425-Y514 WeakPolarHBondContact CD-OH 3.21Å; P425-Y514 VanDerWaalsContact CG-OH 3.26Å; P425-Y514 WeakPolarHBondContact CG-OH 3.4Å; P474-Y514 HydrophobicContact CB-CD2 4.21Å; P474-Y514 HydrophobicContact CB-CE2 4.22Å; P474-Y514 HydrophobicContact CG-CD2 3.93Å; P474-Y514 HydrophobicContact CG-CE2 3.57Å; I497-Y514 HydrophobicContact CG2-CD1 3.92Å; I497-Y514 HydrophobicContact CG2-CE1 3.58Å; D498-Y514 PolarHBondContact O-OH 3.25Å; C502-Y514 HydrophobicContact CB-CD1 4.01Å; C502-Y514 HydrophobicContact CB-CD2 3.51Å; C502-Y514 HydrophobicContact CB-CE1 4.07Å; C502-Y514 HydrophobicContact CB-CE2 3.55Å; C502-Y514 HydrophobicContact CB-CG 3.73Å; C502-Y514 WeakPolarHBondContact O-CB 3.29Å; L503-Y514 HydrophobicContact CD2-CD1 4.04Å; L503-Y514 VanDerWaalsContact CD2-O 3.29Å; L503-Y514 WeakPolarHBondContact CD2-O 3.47Å; L503-Y514 HydrophobicContact CG-CD1 4.11Å; R511-Y514 HydrophobicContact CB-CD2 4.01Å; R511-Y514 HydrophobicContact CG-CD2 4.37Å; R511-Y514 WeakPolarHBondContact O-CB 3.48Å; R511-Y514 PolarHBondContact O-N 3.24Å; P512-Y514 PolarHBondContact O-N 2.98Å; Y514-R516 PolarHBondContact O-N 2.96Å; Y514-V517 WeakPolarHBondContact O-CB 3.46Å; Y514-V517 PolarHBondContact O-N 3.18Å; Y514-V517 VanDerWaalsContact O-N 3.15Å
515	L	70.5	Confident	70.7	Confident	6 Å²	6	37.6 Å²	37.6	3%	0.031	17%	0.172	C	C	.	.	H	α-helix	trans	-54.9	-43.8	178	-62.1	160.9	0	0	0	111.2	L503 D505 F510 L816	L503-L515 WeakPolarHBondContact O-CD2 3.35Å; D505-L515 WeakPolarHBondContact OD1-CD2 3.35Å; F510-L515 HydrophobicContact CE2-CD1 3.32Å; F510-L515 HydrophobicContact CE2-CD2 4.13Å; F510-L515 HydrophobicContact CE2-CG 3.84Å; F510-L515 HydrophobicContact CZ-CD1 3.34Å; F510-L515 HydrophobicContact CZ-CG 4.34Å; L515-L816 HydrophobicContact CB-CD1 4.05Å; L515-L816 HydrophobicContact CD1-CD1 3.31Å; L515-L816 HydrophobicContact CD1-CG 4.44Å; L515-L816 HydrophobicContact CD2-CD1 3.81Å; L515-L816 HydrophobicContact CG-CD1 3.89Å
516	R	76.2	Confident	71.1	Confident	29 Å²	29	37 Å²	37	11%	0.109	17%	0.173	C	C	.	.	H	α-helix	trans	-70.8	-38.9	-178.8	-57.7	179.7	66.8	-142.2	-11.1	111	V478 S513 Y514 C518 N519 L520 E815 L825	V478-R516 HydrophobicContact CG2-CB 4.46Å; S513-R516 PolarHBondContact O-N 2.85Å; Y514-R516 PolarHBondContact O-N 2.96Å; R516-C518 PolarHBondContact O-N 3.46Å; R516-N519 PolarHBondContact O-N 3.02Å; R516-N519 VanDerWaalsContact O-N 3.09Å; R516-L520 HydrophobicContact CB-CD1 4.15Å; R516-L520 HydrophobicContact CB-CG 4.45Å; R516-L520 WeakPolarHBondContact O-CB 3.39Å; R516-L520 VanDerWaalsContact O-CG 3.24Å; R516-L520 WeakPolarHBondContact O-CG 3.47Å; R516-L520 PolarHBondContact O-N 3.15Å; R516-E815 WeakPolarHBondContact CD-OE2 3.23Å; R516-E815 VanDerWaalsContact CG-OE2 3.29Å; R516-E815 WeakPolarHBondContact CG-OE2 3.11Å; R516-E815 IonicContact CZ-OE2 3.72Å; R516-E815 IonicContact NE-OE1 3.29Å; R516-E815 IonicContact NE-OE2 3.39Å; R516-E815 PolarHBondContact NE-OE2 3.3Å; R516-L825 PolarHBondContact NH2-O 3.24Å
517	V	83.8	Confident	72.3	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-49	-48.7	-178.3	154.4	0	0	0	0	113.3	I423 P474 I477 I497 S513 Y514 N519 L520 L521	I423-V517 HydrophobicContact CD1-CG1 3.5Å; I423-V517 VanDerWaalsContact CD1-CG1 3.5Å; I423-V517 HydrophobicContact CG2-CG1 4.5Å; P474-V517 HydrophobicContact CB-CG2 3.81Å; I477-V517 HydrophobicContact CB-CG2 4.18Å; I477-V517 HydrophobicContact CD1-CG1 4.36Å; I477-V517 HydrophobicContact CD1-CG2 4.05Å; I477-V517 HydrophobicContact CG2-CG2 4.19Å; I497-V517 HydrophobicContact CD1-CG1 4.45Å; S513-V517 WeakPolarHBondContact O-CG2 3.31Å; S513-V517 PolarHBondContact O-N 3.46Å; S513-V517 VanDerWaalsContact O-N 3.16Å; Y514-V517 WeakPolarHBondContact O-CB 3.46Å; Y514-V517 PolarHBondContact O-N 3.18Å; Y514-V517 VanDerWaalsContact O-N 3.15Å; V517-N519 PolarHBondContact O-N 3.31Å; V517-L520 PolarHBondContact O-N 3.19Å; V517-L521 HydrophobicContact CG1-CD1 3.73Å; V517-L521 WeakPolarHBondContact O-CB 3.35Å; V517-L521 VanDerWaalsContact O-CG 3.27Å; V517-L521 WeakPolarHBondContact O-CG 3.5Å; V517-L521 PolarHBondContact O-N 2.96Å
518	C	83.7	Confident	73.7	Confident	1 Å²	1	38 Å²	38	1%	0.007	19%	0.185	C	C	.	.	H	α-helix	trans	-63.8	-42.4	-179.5	-67.9	0	0	0	0	112.4	I497 L503 R516 R522 N548	I497-C518 WeakPolarHBondContact CD1-SG 3.02Å; L503-C518 VanDerWaalsContact CD2-SG 3.56Å; R516-C518 PolarHBondContact O-N 3.46Å; C518-R522 WeakPolarHBondContact O-CG 3.44Å; C518-R522 PolarHBondContact O-N 3.43Å; C518-R522 PolarHBondContact O-NE 3.31Å; C518-N548 WeakPolarHBondContact CB-O 3.35Å
519	N	78.5	Confident	75.4	Confident	82 Å²	82	35.9 Å²	35.9	44%	0.439	18%	0.175	S	C	.	.	H	α-helix	trans	-72.1	-38.1	179.5	-72	-16.6	0	0	0	112.3	R516 V517 R522 K523	R516-N519 PolarHBondContact O-N 3.02Å; R516-N519 VanDerWaalsContact O-N 3.09Å; V517-N519 PolarHBondContact O-N 3.31Å; N519-R522 PolarHBondContact OD1-NH2 2.92Å; N519-K523 WeakPolarHBondContact O-CB 3.33Å; N519-K523 PolarHBondContact O-N 2.87Å
520	L	78.3	Confident	77	Confident	19 Å²	19	33.2 Å²	33.2	10%	0.099	16%	0.162	C	C	.	.	H	α-helix	trans	-61.8	-45.8	173.2	-67.1	174.5	0	0	0	111	I477 V478 R516 V517 K523 Y524	I477-L520 HydrophobicContact CG2-CD1 4.36Å; V478-L520 HydrophobicContact CG2-CD1 3.97Å; R516-L520 HydrophobicContact CB-CD1 4.15Å; R516-L520 HydrophobicContact CB-CG 4.45Å; R516-L520 WeakPolarHBondContact O-CB 3.39Å; R516-L520 VanDerWaalsContact O-CG 3.24Å; R516-L520 WeakPolarHBondContact O-CG 3.47Å; R516-L520 PolarHBondContact O-N 3.15Å; V517-L520 PolarHBondContact O-N 3.19Å; L520-K523 PolarHBondContact O-N 3.34Å; L520-Y524 HydrophobicContact CB-CD2 4.47Å; L520-Y524 HydrophobicContact CD2-CD2 4.11Å; L520-Y524 HydrophobicContact CD2-CE2 3.46Å; L520-Y524 VanDerWaalsContact CD2-CE2 3.46Å; L520-Y524 WeakPolarHBondContact O-CB 3.37Å; L520-Y524 WeakPolarHBondContact O-CD2 3.35Å; L520-Y524 PolarHBondContact O-N 3.49Å
521	L	83.1	Confident	78.8	Confident	2 Å²	2	31.3 Å²	31.3	1%	0.01	15%	0.154	C	C	.	.	H	α-helix	trans	-72.8	-34.6	-177.4	-68.2	168.7	0	0	0	113.2	L421 I423 I477 V495 V517 M525 G526 V527 F530	L421-L521 HydrophobicContact CD2-CD1 4.26Å; L421-L521 HydrophobicContact CD2-CD2 3.93Å; I423-L521 HydrophobicContact CD1-CD1 3.46Å; I423-L521 VanDerWaalsContact CD1-CD1 3.46Å; I477-L521 HydrophobicContact CD1-CD1 4.41Å; V495-L521 HydrophobicContact CG1-CD1 3.89Å; V495-L521 HydrophobicContact CG2-CD1 3.9Å; V517-L521 HydrophobicContact CG1-CD1 3.73Å; V517-L521 WeakPolarHBondContact O-CB 3.35Å; V517-L521 VanDerWaalsContact O-CG 3.27Å; V517-L521 WeakPolarHBondContact O-CG 3.5Å; V517-L521 PolarHBondContact O-N 2.96Å; L521-M525 HydrophobicContact CD2-CB 4.47Å; L521-M525 HydrophobicContact CD2-CG 3.98Å; L521-M525 CarbonylContact O-C 3.21Å; L521-M525 WeakPolarHBondContact O-CA 3.25Å; L521-M525 WeakPolarHBondContact O-CB 3.4Å; L521-M525 PolarHBondContact O-N 3.05Å; L521-G526 PolarHBondContact O-N 3.01Å; L521-V527 PolarHBondContact O-N 3.15Å; L521-F530 HydrophobicContact CB-CE1 4.18Å; L521-F530 HydrophobicContact CB-CZ 4.21Å; L521-F530 HydrophobicContact CD1-CE1 4.44Å
522	R	82.1	Confident	80	Confident	66 Å²	66	27.5 Å²	27.5	25%	0.249	14%	0.14	C	C	.	.	H	α-helix	trans	-61.3	-51.1	167.1	-77.2	-176	-75.5	-103.9	6.8	111.2	C518 N519 G526 V527 F530 N548	C518-R522 WeakPolarHBondContact O-CG 3.44Å; C518-R522 PolarHBondContact O-N 3.43Å; C518-R522 PolarHBondContact O-NE 3.31Å; N519-R522 PolarHBondContact OD1-NH2 2.92Å; R522-G526 WeakPolarHBondContact O-CA 3.48Å; R522-G526 PolarHBondContact O-N 3.09Å; R522-V527 WeakPolarHBondContact CG-O 3.42Å; R522-F530 HydrophobicContact CG-CE2 3.72Å; R522-F530 HydrophobicContact CG-CZ 3.83Å; R522-N548 PolarHBondContact NH1-O 3.31Å; R522-N548 PolarHBondContact NH2-O 3.03Å
523	K	72.2	Confident	81.3	Confident	89 Å²	89	26.5 Å²	26.5	39%	0.387	13%	0.133	S	C	.	.	H	α-helix	trans	-76.5	-37.2	-169	-169.2	168.4	-172.4	170	0	115.1	L341 N519 L520	L341-K523 HydrophobicContact CD1-CD 4.2Å; L341-K523 VanDerWaalsContact CD1-NZ 3.26Å; N519-K523 WeakPolarHBondContact O-CB 3.33Å; N519-K523 PolarHBondContact O-N 2.87Å; L520-K523 PolarHBondContact O-N 3.34Å
524	Y	70.1	Confident	82.3	Confident	34 Å²	34	25.5 Å²	25.5	13%	0.133	13%	0.126	C	C	.	.	H	α-helix	trans	-100.9	-26.9	-176.5	-69.5	-110.7	0	0	0	113.7	L341 L484 L520	L341-Y524 HydrophobicContact CD2-CE1 4.32Å; L341-Y524 HydrophobicContact CD2-CE2 3.94Å; L341-Y524 WeakPolarHBondContact CD2-OH 3.44Å; L484-Y524 HydrophobicContact CB-CD1 3.88Å; L484-Y524 HydrophobicContact CB-CE1 3.99Å; L484-Y524 HydrophobicContact CD1-CD1 4.45Å; L484-Y524 HydrophobicContact CD1-CE1 4.06Å; L484-Y524 HydrophobicContact CD2-CD1 4.19Å; L484-Y524 HydrophobicContact CD2-CG 4.1Å; L484-Y524 HydrophobicContact CG-CD1 4.4Å; L484-Y524 HydrophobicContact CG-CE1 4.45Å; L520-Y524 HydrophobicContact CB-CD2 4.47Å; L520-Y524 HydrophobicContact CD2-CD2 4.11Å; L520-Y524 HydrophobicContact CD2-CE2 3.46Å; L520-Y524 VanDerWaalsContact CD2-CE2 3.46Å; L520-Y524 WeakPolarHBondContact O-CB 3.37Å; L520-Y524 WeakPolarHBondContact O-CD2 3.35Å; L520-Y524 PolarHBondContact O-N 3.49Å
525	M	73.1	Confident	82.8	Confident	44 Å²	44	25.7 Å²	25.7	22%	0.217	13%	0.128	C	C	.	.	H	α-helix	trans	-115.4	-3.3	-174.1	-58.1	-57.1	-52.8	0	0	113.7	L489 I492 L521 V527	L489-M525 HydrophobicContact CB-CE 3.98Å; L489-M525 HydrophobicContact CD1-CE 3.94Å; L489-M525 HydrophobicContact CD1-SD 4.26Å; I492-M525 HydrophobicContact CD1-CB 4.41Å; I492-M525 HydrophobicContact CD1-CE 3.92Å; I492-M525 HydrophobicContact CD1-CG 4.48Å; L521-M525 HydrophobicContact CD2-CB 4.47Å; L521-M525 HydrophobicContact CD2-CG 3.98Å; L521-M525 CarbonylContact O-C 3.21Å; L521-M525 WeakPolarHBondContact O-CA 3.25Å; L521-M525 WeakPolarHBondContact O-CB 3.4Å; L521-M525 PolarHBondContact O-N 3.05Å; M525-V527 HydrophobicContact CB-CG2 4.01Å; M525-V527 PolarHBondContact O-N 3.1Å
526	G	73.1	Confident	83.5	Confident	16 Å²	16	25.5 Å²	25.5	17%	0.165	13%	0.127	C	C	.	.			trans	64.8	17.8	179.5	0	0	0	0	0	114.8	L521 R522 N528	L521-G526 PolarHBondContact O-N 3.01Å; R522-G526 WeakPolarHBondContact O-CA 3.48Å; R522-G526 PolarHBondContact O-N 3.09Å; G526-N528 PolarHBondContact O-N 3.28Å
527	V	82	Confident	84.1	Confident	10 Å²	10	24.2 Å²	24.2	6%	0.061	12%	0.123	C	C	.	.			trans	-74.9	120.3	-176.6	-179.6	0	0	0	0	110.1	I492 V495 L521 R522 M525 C529 F530	I492-V527 HydrophobicContact CB-CG2 4.29Å; I492-V527 HydrophobicContact CD1-CG2 4.33Å; I492-V527 HydrophobicContact CG2-CG2 4.01Å; V495-V527 HydrophobicContact CB-CG1 4.15Å; V495-V527 HydrophobicContact CG2-CB 4.22Å; V495-V527 HydrophobicContact CG2-CG1 3.69Å; V495-V527 HydrophobicContact CG2-CG2 4.01Å; L521-V527 PolarHBondContact O-N 3.15Å; R522-V527 WeakPolarHBondContact CG-O 3.42Å; M525-V527 HydrophobicContact CB-CG2 4.01Å; M525-V527 PolarHBondContact O-N 3.1Å; V527-C529 WeakPolarHBondContact CG1-O 3.45Å; V527-F530 HydrophobicContact CB-CZ 4.21Å; V527-F530 HydrophobicContact CG1-CE1 4.37Å; V527-F530 HydrophobicContact CG1-CE2 4.22Å; V527-F530 HydrophobicContact CG1-CZ 4.06Å; V527-F530 WeakPolarHBondContact O-CE2 3.27Å; V527-F530 WeakPolarHBondContact O-CZ 3.27Å
528	N	82.2	Confident	84.3	Confident	128 Å²	128	25.1 Å²	25.1	68%	0.684	13%	0.128	S	C	*	.			trans	-102.7	-25.6	175.8	-64.7	-30.6	0	0	0	113.4	S390 G526	S390-N528 PolarHBondContact OG-O 2.96Å; G526-N528 PolarHBondContact O-N 3.28Å
529	C	90.6	Very high	84.5	Confident	8 Å²	8	27.1 Å²	27.1	5%	0.054	14%	0.141	C	C	.	.			trans	-95.2	117.1	-179.2	-176.3	0	0	0	0	111.7	G388 F494 V495 V527	G388-C529 WeakPolarHBondContact O-CB 3.32Å; F494-C529 HydrophobicContact CB-CB 3.99Å; V495-C529 PolarHBondContact N-O 3.29Å; V527-C529 WeakPolarHBondContact CG1-O 3.45Å
530	F	94.4	Very high	84.9	Confident	1 Å²	1	28.8 Å²	28.8	0%	0.004	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	126.1	177.1	-64.1	-93.5	0	0	0	112.4	S390 T391 V495 I497 L521 R522 V527 L549	S390-F530 CarbonylContact C-O 3.06Å; S390-F530 WeakPolarHBondContact CA-O 3.49Å; S390-F530 PolarHBondContact OG-N 3.31Å; T391-F530 PolarHBondContact N-O 3.47Å; V495-F530 HydrophobicContact CB-CD1 3.73Å; V495-F530 HydrophobicContact CB-CE1 3.91Å; V495-F530 HydrophobicContact CG1-CD1 3.77Å; V495-F530 HydrophobicContact CG1-CE1 3.97Å; V495-F530 HydrophobicContact CG2-CE1 4.29Å; V495-F530 CarbonylContact O-C 3.49Å; V495-F530 VanDerWaalsContact O-CA 3.31Å; V495-F530 WeakPolarHBondContact O-CA 3.38Å; I497-F530 HydrophobicContact CD1-CD1 4.11Å; L521-F530 HydrophobicContact CB-CE1 4.18Å; L521-F530 HydrophobicContact CB-CZ 4.21Å; L521-F530 HydrophobicContact CD1-CE1 4.44Å; R522-F530 HydrophobicContact CG-CE2 3.72Å; R522-F530 HydrophobicContact CG-CZ 3.83Å; V527-F530 HydrophobicContact CB-CZ 4.21Å; V527-F530 HydrophobicContact CG1-CE1 4.37Å; V527-F530 HydrophobicContact CG1-CE2 4.22Å; V527-F530 HydrophobicContact CG1-CZ 4.06Å; V527-F530 WeakPolarHBondContact O-CE2 3.27Å; V527-F530 WeakPolarHBondContact O-CZ 3.27Å; F530-L549 HydrophobicContact CB-CD2 3.78Å; F530-L549 HydrophobicContact CG-CD2 4.41Å
531	L	95.7	Very high	85.4	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	103.8	171.5	172	57.2	0	0	0	109.5	V381 T385 T391 C404 F494 V495 C496 I497 L533	V381-L531 HydrophobicContact CG1-CD1 3.42Å; V381-L531 VanDerWaalsContact CG1-CD1 3.42Å; V381-L531 HydrophobicContact CG1-CD2 4.43Å; T385-L531 HydrophobicContact CG2-CD2 4.45Å; T391-L531 CarbonylContact O-C 3.56Å; T391-L531 WeakPolarHBondContact O-CA 3.4Å; C404-L531 HydrophobicContact CB-CD2 4.44Å; C404-L531 WeakPolarHBondContact O-CD2 3.34Å; F494-L531 HydrophobicContact CD2-CB 4.43Å; F494-L531 HydrophobicContact CE2-CD2 4.4Å; V495-L531 PolarHBondContact O-N 2.89Å; C496-L531 CarbonylContact C-O 3.6Å; C496-L531 VanDerWaalsContact CA-O 3.29Å; C496-L531 WeakPolarHBondContact CA-O 3.46Å; I497-L531 PolarHBondContact N-O 2.93Å; L531-L533 HydrophobicContact CD1-CD2 3.79Å; L531-L533 HydrophobicContact CD1-CG 4.49Å; L531-L533 HydrophobicContact CD2-CD2 4.26Å; L531-L533 HydrophobicContact CG-CD2 3.93Å; L531-L533 HydrophobicContact CG-CG 4.15Å
532	G	95.3	Very high	85.8	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	132.3	171.3	0	0	0	0	0	111	T391 L392 A393	T391-G532 PolarHBondContact O-N 2.93Å; L392-G532 CarbonylContact C-O 3.54Å; A393-G532 PolarHBondContact N-O 2.95Å
533	L	94.5	Very high	86.3	Confident	1 Å²	1	28.1 Å²	28.1	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	124.3	177	-63.5	-175.5	0	0	0	110.2	A393 K401 C404 Y405 C496 I497 E499 A500 L531	A393-L533 HydrophobicContact CB-CD2 3.86Å; K401-L533 HydrophobicContact CB-CD1 4.39Å; K401-L533 HydrophobicContact CD-CB 4.27Å; K401-L533 WeakPolarHBondContact O-CD1 3.46Å; C404-L533 HydrophobicContact CB-CD2 4.22Å; Y405-L533 HydrophobicContact CD1-CD1 3.9Å; C496-L533 WeakPolarHBondContact SG-CD1 3.41Å; I497-L533 PolarHBondContact O-N 3.3Å; E499-L533 WeakPolarHBondContact CA-O 3.18Å; E499-L533 PolarHBondContact N-O 3.08Å; E499-L533 VanDerWaalsContact N-O 3.12Å; A500-L533 WeakPolarHBondContact CB-O 2.93Å; A500-L533 PolarHBondContact N-O 3.16Å; L531-L533 HydrophobicContact CD1-CD2 3.79Å; L531-L533 HydrophobicContact CD1-CG 4.49Å; L531-L533 HydrophobicContact CD2-CD2 4.26Å; L531-L533 HydrophobicContact CG-CD2 3.93Å; L531-L533 HydrophobicContact CG-CG 4.15Å
534	S	91.5	Very high	87	Confident	0 Å²	0	25 Å²	25	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	157.4	176.8	-171.2	0	0	0	0	112.7	A393 M395 H501 T536 C537	A393-S534 PolarHBondContact O-N 3.37Å; M395-S534 PolarHBondContact N-O 3Å; H501-S534 PolarHBondContact ND1-OG 3.5Å; S534-T536 PolarHBondContact OG-N 2.96Å; S534-C537 VanDerWaalsContact CB-SG 3.51Å; S534-C537 PolarHBondContact OG-SG 3.49Å
535	A	87.1	Confident	88	Confident	4 Å²	4	23.4 Å²	23.4	3%	0.033	14%	0.135	C	C	.	.	S	Bend	trans	-94.7	-29.4	171.1	0	0	0	0	0	114.4	M395 T397	M395-A535 WeakPolarHBondContact O-CA 3.4Å; T397-A535 HydrophobicContact CG2-CB 4.06Å
536	T	85.5	Confident	89	Confident	2 Å²	2	21.3 Å²	21.3	1%	0.012	13%	0.125	C	C	.	.			trans	-143.5	104.1	-162.9	47.2	0	0	0	0	109.5	S534 E706 V709 Q710 F1026	S534-T536 PolarHBondContact OG-N 2.96Å; T536-E706 HydrophobicContact CG2-CB 4.21Å; T536-V709 HydrophobicContact CG2-CB 4.1Å; T536-V709 HydrophobicContact CG2-CG1 3.62Å; T536-Q710 HydrophobicContact CG2-CG 4.06Å; T536-Q710 PolarHBondContact OG1-NE2 3.32Å; T536-F1026 HydrophobicContact CG2-CE1 4.23Å; T536-F1026 HydrophobicContact CG2-CZ 4.03Å
537	C	88.9	Confident	89.8	Confident	2 Å²	2	24.6 Å²	24.6	1%	0.014	14%	0.139	C	C	.	.			trans	-144.7	126	176.7	-61.4	0	0	0	0	109	V394 S534 V541 I542 I545	V394-C537 HydrophobicContact CG1-CB 4.44Å; V394-C537 HydrophobicContact CG2-CB 4.35Å; S534-C537 VanDerWaalsContact CB-SG 3.51Å; S534-C537 PolarHBondContact OG-SG 3.49Å; C537-V541 HydrophobicContact CB-CB 4.37Å; C537-V541 HydrophobicContact CB-CG1 3.81Å; C537-I542 HydrophobicContact CB-CD1 4.28Å; C537-I542 HydrophobicContact CB-CG1 3.56Å; C537-I545 VanDerWaalsContact SG-CD1 3.58Å
538	T	88.1	Confident	90	Very high	19 Å²	19	25.8 Å²	25.8	12%	0.117	15%	0.145	C	C	.	.			trans	-76.1	166.5	165.4	57.5	0	0	0	0	110.3	D540 V541 I542 F1026	T538-D540 VanDerWaalsContact C-N 3.3Å; T538-D540 PolarHBondContact O-N 3.26Å; T538-V541 PolarHBondContact O-N 2.94Å; T538-V541 VanDerWaalsContact O-N 3.12Å; T538-V541 WeakPolarHBondContact OG1-CG2 3.12Å; T538-I542 WeakPolarHBondContact O-CG1 3.41Å; T538-I542 PolarHBondContact O-N 3.3Å; T538-F1026 HydrophobicContact CG2-CD1 4.32Å
539	P	88.7	Confident	90.4	Very high	43 Å²	43	19.8 Å²	19.8	28%	0.279	11%	0.113	S	C	.	.	H	α-helix	trans	-57.3	-36.3	-178.6	-28.2	37.9	0	0	0	114.7	I542 T543	P539-I542 PolarHBondContact O-N 3.03Å; P539-T543 WeakPolarHBondContact O-CB 3.45Å; P539-T543 PolarHBondContact O-N 3.09Å; P539-T543 PolarHBondContact O-OG1 3.27Å
540	D	87.1	Confident	90.2	Very high	117 Å²	117	21.3 Å²	21.3	63%	0.626	13%	0.129	S	C	*	.	H	α-helix	trans	-67.4	-41.6	176.7	-48.1	-69	0	0	0	111.6	T538 T543 N544	T538-D540 VanDerWaalsContact C-N 3.3Å; T538-D540 PolarHBondContact O-N 3.26Å; D540-T543 PolarHBondContact O-N 3.01Å; D540-N544 WeakPolarHBondContact O-CB 3.34Å; D540-N544 PolarHBondContact O-N 3.26Å
541	V	88.8	Confident	90	Very high	5 Å²	5	21.4 Å²	21.4	3%	0.03	13%	0.13	C	C	.	.	H	α-helix	trans	-65.3	-42.6	174.6	167.5	0	0	0	0	110.5	H501 A504 C537 T538 T543 N544 I545	H501-V541 HydrophobicContact CB-CG1 4.4Å; A504-V541 HydrophobicContact CB-CB 4.41Å; A504-V541 HydrophobicContact CB-CG1 3.96Å; A504-V541 HydrophobicContact CB-CG2 4.32Å; C537-V541 HydrophobicContact CB-CB 4.37Å; C537-V541 HydrophobicContact CB-CG1 3.81Å; T538-V541 PolarHBondContact O-N 2.94Å; T538-V541 VanDerWaalsContact O-N 3.12Å; T538-V541 WeakPolarHBondContact OG1-CG2 3.12Å; V541-T543 VanDerWaalsContact C-N 3.31Å; V541-T543 PolarHBondContact O-N 2.95Å; V541-N544 PolarHBondContact O-N 3.35Å; V541-I545 HydrophobicContact CG1-CD1 3.65Å; V541-I545 HydrophobicContact CG1-CG1 4.31Å; V541-I545 WeakPolarHBondContact O-CB 3.43Å; V541-I545 WeakPolarHBondContact O-CD1 3.44Å; V541-I545 WeakPolarHBondContact O-CG1 3.24Å; V541-I545 PolarHBondContact O-N 2.88Å
542	I	91.8	Very high	89.6	Confident	3 Å²	3	27.6 Å²	27.6	2%	0.015	16%	0.159	C	C	.	.	H	α-helix	trans	-56.9	-46.4	173.3	-69.9	172.1	0	0	0	110.4	L392 V394 C537 T538 P539 I545 C546 Y572	L392-I542 HydrophobicContact CD2-CG1 4.48Å; L392-I542 HydrophobicContact CD2-CG2 4.17Å; V394-I542 HydrophobicContact CG2-CD1 4.22Å; V394-I542 HydrophobicContact CG2-CG1 4.19Å; C537-I542 HydrophobicContact CB-CD1 4.28Å; C537-I542 HydrophobicContact CB-CG1 3.56Å; T538-I542 WeakPolarHBondContact O-CG1 3.41Å; T538-I542 PolarHBondContact O-N 3.3Å; P539-I542 PolarHBondContact O-N 3.03Å; I542-I545 PolarHBondContact O-N 3.05Å; I542-C546 VanDerWaalsContact O-CB 3.31Å; I542-C546 WeakPolarHBondContact O-CB 3.02Å; I542-C546 PolarHBondContact O-N 2.96Å; I542-C546 PolarHBondContact O-SG 2.87Å; I542-Y572 HydrophobicContact CD1-CD2 4.32Å; I542-Y572 HydrophobicContact CD1-CE2 3.78Å; I542-Y572 HydrophobicContact CG2-CD1 3.78Å; I542-Y572 HydrophobicContact CG2-CD2 4.05Å; I542-Y572 HydrophobicContact CG2-CE1 3.73Å; I542-Y572 HydrophobicContact CG2-CE2 4.02Å; I542-Y572 HydrophobicContact CG2-CG 3.92Å
543	T	90.8	Very high	89.1	Confident	65 Å²	65	34.5 Å²	34.5	40%	0.399	20%	0.196	S	C	.	.	H	α-helix	trans	-64.8	-45.5	-178.6	-56.2	0	0	0	0	111.7	P539 D540 V541 C546 N547	P539-T543 WeakPolarHBondContact O-CB 3.45Å; P539-T543 PolarHBondContact O-N 3.09Å; P539-T543 PolarHBondContact O-OG1 3.27Å; D540-T543 PolarHBondContact O-N 3.01Å; V541-T543 VanDerWaalsContact C-N 3.31Å; V541-T543 PolarHBondContact O-N 2.95Å; T543-C546 PolarHBondContact O-N 3.34Å; T543-N547 PolarHBondContact O-N 2.88Å; T543-N547 PolarHBondContact O-ND2 3.22Å
544	N	88	Confident	88.8	Confident	24 Å²	24	36 Å²	36	13%	0.128	21%	0.205	C	C	.	.	H	α-helix	trans	-62.9	-47	176.7	-176.2	-57.1	0	0	0	111.8	L503 A504 D505 D540 V541 C546 N547 N548	L503-N544 PolarHBondContact O-OD1 3.22Å; A504-N544 WeakPolarHBondContact CA-OD1 3.23Å; A504-N544 HydrophobicContact CB-CB 4.12Å; D505-N544 PolarHBondContact OD2-ND2 3.28Å; D540-N544 WeakPolarHBondContact O-CB 3.34Å; D540-N544 PolarHBondContact O-N 3.26Å; V541-N544 PolarHBondContact O-N 3.35Å; N544-C546 PolarHBondContact O-N 3.2Å; N544-N547 PolarHBondContact O-N 2.95Å; N544-N548 PolarHBondContact O-N 3.38Å; N544-N548 PolarHBondContact OD1-ND2 3.05Å; N544-N548 VanDerWaalsContact OD1-ND2 3.11Å
545	I	91.3	Very high	88.8	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.4	-48.7	175.6	-63.1	161	0	0	0	110.5	L392 A500 L503 A504 C537 V541 I542 N547 N548 L549	L392-I545 HydrophobicContact CD1-CG2 3.9Å; L392-I545 HydrophobicContact CD2-CB 4.04Å; L392-I545 HydrophobicContact CD2-CD1 4.2Å; L392-I545 HydrophobicContact CD2-CG2 3.85Å; L392-I545 HydrophobicContact CG-CG2 4.38Å; A500-I545 HydrophobicContact CB-CG2 4.46Å; A500-I545 WeakPolarHBondContact O-CG1 3.45Å; L503-I545 HydrophobicContact CB-CG1 4.32Å; L503-I545 HydrophobicContact CD1-CG2 3.99Å; A504-I545 HydrophobicContact CB-CG1 4.22Å; C537-I545 VanDerWaalsContact SG-CD1 3.58Å; V541-I545 HydrophobicContact CG1-CD1 3.65Å; V541-I545 HydrophobicContact CG1-CG1 4.31Å; V541-I545 WeakPolarHBondContact O-CB 3.43Å; V541-I545 WeakPolarHBondContact O-CD1 3.44Å; V541-I545 WeakPolarHBondContact O-CG1 3.24Å; V541-I545 PolarHBondContact O-N 2.88Å; I542-I545 PolarHBondContact O-N 3.05Å; I545-N547 VanDerWaalsContact C-N 3.33Å; I545-N547 PolarHBondContact O-N 2.94Å; I545-N548 CarbonylContact O-C 3.54Å; I545-N548 PolarHBondContact O-N 2.91Å; I545-N548 VanDerWaalsContact O-N 3.08Å; I545-L549 HydrophobicContact CG2-CD1 3.7Å; I545-L549 HydrophobicContact CG2-CG 4Å; I545-L549 VanDerWaalsContact O-CG 3.3Å; I545-L549 WeakPolarHBondContact O-CG 3.47Å; I545-L549 PolarHBondContact O-N 3.38Å
546	C	93	Very high	89	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-57.5	-45.3	-179.3	-73.1	0	0	0	0	111.6	I542 T543 N544 N548 L549 G550 I551 P554	I542-C546 VanDerWaalsContact O-CB 3.31Å; I542-C546 WeakPolarHBondContact O-CB 3.02Å; I542-C546 PolarHBondContact O-N 2.96Å; I542-C546 PolarHBondContact O-SG 2.87Å; T543-C546 PolarHBondContact O-N 3.34Å; N544-C546 PolarHBondContact O-N 3.2Å; C546-N548 PolarHBondContact O-N 3.2Å; C546-L549 PolarHBondContact O-N 3.13Å; C546-G550 PolarHBondContact O-N 3.39Å; C546-I551 HydrophobicContact CB-CB 3.98Å; C546-I551 HydrophobicContact CB-CG2 4.46Å; C546-I551 PolarHBondContact O-N 3.24Å; C546-P554 HydrophobicContact CB-CB 3.7Å; C546-P554 HydrophobicContact CB-CG 3.73Å; C546-P554 VanDerWaalsContact SG-CB 3.52Å
547	N	89.5	Confident	89.3	Confident	84 Å²	84	43.1 Å²	43.1	45%	0.449	24%	0.237	S	C	.	.	H	α-helix	trans	-58.1	-46.4	173.6	-70.2	-22.5	0	0	0	111.9	T543 N544 I545 L549 G550	T543-N547 PolarHBondContact O-N 2.88Å; T543-N547 PolarHBondContact O-ND2 3.22Å; N544-N547 PolarHBondContact O-N 2.95Å; I545-N547 VanDerWaalsContact C-N 3.33Å; I545-N547 PolarHBondContact O-N 2.94Å; N547-L549 VanDerWaalsContact C-N 3.29Å; N547-L549 PolarHBondContact O-N 2.07Å; N547-G550 PolarHBondContact O-N 3.13Å
548	N	87.3	Confident	89.2	Confident	36 Å²	36	45.6 Å²	45.6	19%	0.193	25%	0.252	C	S	.	.	H	α-helix	trans	-66.2	-27	178.4	-76.5	-21.3	0	0	0	113.5	L503 C518 R522 N544 I545 C546	L503-N548 PolarHBondContact O-ND2 2.82Å; C518-N548 WeakPolarHBondContact CB-O 3.35Å; R522-N548 PolarHBondContact NH1-O 3.31Å; R522-N548 PolarHBondContact NH2-O 3.03Å; N544-N548 PolarHBondContact O-N 3.38Å; N544-N548 PolarHBondContact OD1-ND2 3.05Å; N544-N548 VanDerWaalsContact OD1-ND2 3.11Å; I545-N548 CarbonylContact O-C 3.54Å; I545-N548 PolarHBondContact O-N 2.91Å; I545-N548 VanDerWaalsContact O-N 3.08Å; C546-N548 PolarHBondContact O-N 3.2Å
549	L	90.3	Very high	88.9	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-81.4	-14	172.2	-63.5	177.4	0	0	0	113.8	L392 I497 L503 F530 I545 C546 N547 I551	L392-L549 HydrophobicContact CB-CD1 4.05Å; I497-L549 HydrophobicContact CD1-CD2 4.05Å; L503-L549 HydrophobicContact CD1-CD2 3.88Å; L503-L549 HydrophobicContact CD1-CG 4.38Å; F530-L549 HydrophobicContact CB-CD2 3.78Å; F530-L549 HydrophobicContact CG-CD2 4.41Å; I545-L549 HydrophobicContact CG2-CD1 3.7Å; I545-L549 HydrophobicContact CG2-CG 4Å; I545-L549 VanDerWaalsContact O-CG 3.3Å; I545-L549 WeakPolarHBondContact O-CG 3.47Å; I545-L549 PolarHBondContact O-N 3.38Å; C546-L549 PolarHBondContact O-N 3.13Å; N547-L549 VanDerWaalsContact C-N 3.29Å; N547-L549 PolarHBondContact O-N 2.07Å; L549-I551 HydrophobicContact CB-CD1 3.94Å; L549-I551 HydrophobicContact CB-CG1 3.97Å; L549-I551 HydrophobicContact CD1-CD1 3.91Å
550	G	87.1	Confident	88.5	Confident	39 Å²	39	48.6 Å²	48.6	40%	0.402	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	20.7	-173.9	0	0	0	0	0	114.6	C546 N547 H552	C546-G550 PolarHBondContact O-N 3.39Å; N547-G550 PolarHBondContact O-N 3.13Å; G550-H552 PolarHBondContact O-N 3Å
551	I	90	Very high	88.3	Confident	4 Å²	4	47.2 Å²	47.2	2%	0.021	27%	0.265	C	S	.	.			trans	-97.7	84.8	-179.5	-51	172.5	0	0	0	108.7	C546 L549 P554 P570 G571	C546-I551 HydrophobicContact CB-CB 3.98Å; C546-I551 HydrophobicContact CB-CG2 4.46Å; C546-I551 PolarHBondContact O-N 3.24Å; L549-I551 HydrophobicContact CB-CD1 3.94Å; L549-I551 HydrophobicContact CB-CG1 3.97Å; L549-I551 HydrophobicContact CD1-CD1 3.91Å; I551-P554 HydrophobicContact CG2-CB 4.12Å; I551-P570 HydrophobicContact CG2-CB 3.98Å; I551-G571 VanDerWaalsContact CG2-N 3.29Å
552	H	86	Confident	88.1	Confident	129 Å²	129	49.6 Å²	49.6	60%	0.597	28%	0.277	S	S	*	.			trans	-71.4	145.5	177.3	-56.9	-71.9	0	0	0	111.7	G550 P570	G550-H552 PolarHBondContact O-N 3Å; H552-P570 WeakPolarHBondContact O-CB 3.26Å
553	N	86.5	Confident	87.8	Confident	146 Å²	146	53.6 Å²	53.6	78%	0.781	30%	0.298	S	S	*	.	S	Bend	trans	46.8	59.2	-177.7	-62.5	-9.1	0	0	0	113.5	T555	N553-T555 PolarHBondContact O-N 3.2Å; N553-T555 VanDerWaalsContact O-N 3.08Å
554	P	88.5	Confident	87.5	Confident	32 Å²	32	58.1 Å²	58.1	21%	0.208	31%	0.314	C	S	.	.			trans	-68.4	108	-166	28.8	-36.9	0	0	0	112.9	C546 I551 Y572	C546-P554 HydrophobicContact CB-CB 3.7Å; C546-P554 HydrophobicContact CB-CG 3.73Å; C546-P554 VanDerWaalsContact SG-CB 3.52Å; I551-P554 HydrophobicContact CG2-CB 4.12Å; P554-Y572 HydrophobicContact CB-CD1 4.12Å
555	T	90.3	Very high	87.4	Confident	52 Å²	52	61.1 Å²	61.1	32%	0.319	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	143.1	176.7	-56.6	0	0	0	0	111.3	N553 F557 Q569 P570 G571 Y572	N553-T555 PolarHBondContact O-N 3.2Å; N553-T555 VanDerWaalsContact O-N 3.08Å; T555-F557 HydrophobicContact CG2-CD1 4.48Å; T555-F557 HydrophobicContact CG2-CE1 3.85Å; T555-F557 HydrophobicContact CG2-CZ 4.18Å; T555-Q569 PolarHBondContact OG1-NE2 2.78Å; T555-P570 PolarHBondContact N-O 2.85Å; T555-G571 CarbonylContact O-C 3.59Å; T555-G571 WeakPolarHBondContact O-CA 3.46Å; T555-Y572 WeakPolarHBondContact O-CD1 3.31Å; T555-Y572 PolarHBondContact O-N 2.84Å
556	R	91.6	Very high	87.1	Confident	92 Å²	92	62.2 Å²	62.2	35%	0.347	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	127.9	174.3	-174.5	175.7	164.6	-113.4	-11.9	111.1	Y572 Q574	R556-Y572 HydrophobicContact CB-CE1 3.84Å; R556-Y572 HydrophobicContact CB-CE2 3.99Å; R556-Y572 HydrophobicContact CG-CD2 4.43Å; R556-Y572 HydrophobicContact CG-CE1 4.5Å; R556-Y572 HydrophobicContact CG-CE2 3.73Å; R556-Q574 HydrophobicContact CG-CB 4.41Å; R556-Q574 PolarHBondContact NE-O 3.04Å; R556-Q574 PolarHBondContact NH2-O 3.22Å
557	F	92.4	Very high	86.8	Confident	12 Å²	12	62.4 Å²	62.4	5%	0.053	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	136.1	167.8	-49.3	-61.6	0	0	0	110.2	L380 T555 T566 Q569 Y572 V573 Q574	L380-F557 HydrophobicContact CD2-CB 3.92Å; T555-F557 HydrophobicContact CG2-CD1 4.48Å; T555-F557 HydrophobicContact CG2-CE1 3.85Å; T555-F557 HydrophobicContact CG2-CZ 4.18Å; F557-T566 HydrophobicContact CD1-CG2 4.06Å; F557-T566 HydrophobicContact CE1-CG2 4.5Å; F557-Q569 HydrophobicContact CZ-CB 3.91Å; F557-Q569 HydrophobicContact CZ-CG 4.06Å; F557-Y572 PolarHBondContact N-O 2.75Å; F557-V573 HydrophobicContact CB-CG2 4.36Å; F557-V573 HydrophobicContact CD2-CG2 4.4Å; F557-V573 CarbonylContact O-C 3.53Å; F557-V573 WeakPolarHBondContact O-CA 3.42Å; F557-Q574 PolarHBondContact O-N 3.16Å
558	V	86.4	Confident	86.7	Confident	53 Å²	53	63.8 Å²	63.8	32%	0.321	35%	0.345	S	S	.	.			trans	-78.9	-44.7	172	-165.6	0	0	0	0	109.8	D560 P575	V558-D560 WeakPolarHBondContact CG1-OD2 3.26Å; V558-P575 VanDerWaalsContact O-CA 3.25Å; V558-P575 WeakPolarHBondContact O-CA 3.39Å; V558-P575 WeakPolarHBondContact O-CB 3.14Å
559	G	82.2	Confident	86.8	Confident	14 Å²	14	65.8 Å²	65.8	14%	0.144	35%	0.353	C	S	.	.			trans	93.6	20.3	176.3	0	0	0	0	0	115.1	G377	G377-G559 PolarHBondContact N-O 3.14Å
560	D	80.5	Confident	86.6	Confident	112 Å²	112	68.7 Å²	68.7	60%	0.599	37%	0.372	S	S	*	.	S	Bend	trans	-84.7	-12.1	172.8	-48.9	-44.8	0	0	0	112.8	V558	V558-D560 WeakPolarHBondContact CG1-OD2 3.26Å
561	T	81.3	Confident	86.8	Confident	88 Å²	88	66.8 Å²	66.8	54%	0.54	35%	0.353	S	S	.	.	S	Bend	trans	-140.1	133.5	176.8	-46.7	0	0	0	0	108.9
562	I	85.2	Confident	87	Confident	55 Å²	55	68.1 Å²	68.1	28%	0.282	36%	0.358	S	S	.	.			trans	-112.7	96.1	-175.5	-57.1	173.8	0	0	0	108.1	E379 L380 L383 L567	E379-I562 HydrophobicContact CB-CD1 4.01Å; E379-I562 HydrophobicContact CG-CD1 3.76Å; L380-I562 HydrophobicContact CB-CG1 4.43Å; L380-I562 HydrophobicContact CD1-CG1 4.47Å; L380-I562 HydrophobicContact CD1-CG2 4.32Å; L383-I562 HydrophobicContact CD1-CD1 4.14Å; L383-I562 HydrophobicContact CD1-CG2 4Å; I562-L567 HydrophobicContact CG2-CD1 4.04Å; I562-L567 HydrophobicContact CG2-CD2 3.9Å; I562-L567 HydrophobicContact CG2-CG 3.96Å
563	N	86	Confident	87.3	Confident	87 Å²	87	62 Å²	62	47%	0.465	33%	0.33	S	S	.	.			trans	-114	161.3	176.8	-64.7	-17.6	0	0	0	110.3	T565 T566 L567	N563-T565 PolarHBondContact O-N 3.4Å; N563-T565 VanDerWaalsContact O-N 3.13Å; N563-T566 PolarHBondContact N-OG1 3.39Å; N563-T566 PolarHBondContact O-N 3.3Å; N563-T566 PolarHBondContact O-OG1 3.12Å; N563-L567 PolarHBondContact O-N 3.39Å
564	E	84	Confident	87.7	Confident	159 Å²	159	55.4 Å²	55.4	74%	0.743	29%	0.294	S	S	*	.	H	α-helix	trans	-51.5	-38.3	177.3	-63.5	-169.9	145.5	0	0	113.1	L567 H568	E564-L567 PolarHBondContact O-N 3.16Å; E564-H568 WeakPolarHBondContact O-CB 3.49Å; E564-H568 PolarHBondContact O-CD2 2.73Å; E564-H568 PolarHBondContact O-N 3.36Å
565	T	85.4	Confident	87.6	Confident	88 Å²	88	54.7 Å²	54.7	54%	0.54	29%	0.289	S	S	.	.	H	α-helix	trans	-60.3	-52.1	174.5	51.2	0	0	0	0	111.9	N563 L567 H568 Q569	N563-T565 PolarHBondContact O-N 3.4Å; N563-T565 VanDerWaalsContact O-N 3.13Å; T565-L567 PolarHBondContact O-N 3.45Å; T565-H568 PolarHBondContact O-N 2.98Å; T565-Q569 WeakPolarHBondContact O-CB 3.43Å; T565-Q569 PolarHBondContact O-N 3.5Å
566	T	86.2	Confident	87.4	Confident	22 Å²	22	55 Å²	55	14%	0.135	29%	0.291	C	S	.	.	H	α-helix	trans	-65.9	-24	178	60.5	0	0	0	0	113.4	R384 F557 N563	R384-T566 PolarHBondContact NH1-O 3.28Å; F557-T566 HydrophobicContact CD1-CG2 4.06Å; F557-T566 HydrophobicContact CE1-CG2 4.5Å; N563-T566 PolarHBondContact N-OG1 3.39Å; N563-T566 PolarHBondContact O-N 3.3Å; N563-T566 PolarHBondContact O-OG1 3.12Å
567	L	87.1	Confident	86.8	Confident	5 Å²	5	53.6 Å²	53.6	3%	0.026	29%	0.29	C	S	.	.	H	α-helix	trans	-77.5	-48.8	173.3	-71.5	168.7	0	0	0	111.4	V355 L380 L383 R384 L387 I389 I562 N563 E564 T565	V355-L567 HydrophobicContact CG1-CD1 3.91Å; V355-L567 HydrophobicContact CG2-CD1 4.25Å; L380-L567 HydrophobicContact CD1-CD2 3.97Å; L380-L567 HydrophobicContact CD1-CG 4.47Å; L383-L567 HydrophobicContact CB-CD2 3.72Å; L383-L567 HydrophobicContact CD1-CD2 4.34Å; R384-L567 HydrophobicContact CG-CD2 4.39Å; R384-L567 PolarHBondContact NH1-O 3.01Å; L387-L567 HydrophobicContact CD1-CB 4.08Å; L387-L567 HydrophobicContact CD1-CD2 4.04Å; L387-L567 HydrophobicContact CD1-CG 4.45Å; I389-L567 WeakPolarHBondContact CD1-O 3.47Å; I562-L567 HydrophobicContact CG2-CD1 4.04Å; I562-L567 HydrophobicContact CG2-CD2 3.9Å; I562-L567 HydrophobicContact CG2-CG 3.96Å; N563-L567 PolarHBondContact O-N 3.39Å; E564-L567 PolarHBondContact O-N 3.16Å; T565-L567 PolarHBondContact O-N 3.45Å
568	H	86.7	Confident	86.2	Confident	112 Å²	112	54.5 Å²	54.5	52%	0.519	30%	0.297	S	S	.	.	H	α-helix	trans	-94.6	-23.9	-168.1	-70.4	-66.8	0	0	0	116.2	E564 T565	E564-H568 WeakPolarHBondContact O-CB 3.49Å; E564-H568 PolarHBondContact O-CD2 2.73Å; E564-H568 PolarHBondContact O-N 3.36Å; T565-H568 PolarHBondContact O-N 2.98Å
569	Q	88.1	Confident	85.9	Confident	78 Å²	78	52.4 Å²	52.4	36%	0.364	28%	0.284	S	S	.	.	S	Bend	trans	-71.9	140.6	-177.2	-177.3	176.1	-5.4	0	0	112.1	R384 T555 F557 T565 G571	R384-Q569 PolarHBondContact NH1-O 3.47Å; R384-Q569 PolarHBondContact NH2-O 3.39Å; T555-Q569 PolarHBondContact OG1-NE2 2.78Å; F557-Q569 HydrophobicContact CZ-CB 3.91Å; F557-Q569 HydrophobicContact CZ-CG 4.06Å; T565-Q569 WeakPolarHBondContact O-CB 3.43Å; T565-Q569 PolarHBondContact O-N 3.5Å; Q569-G571 PolarHBondContact O-N 2.8Å
570	P	87.9	Confident	86	Confident	63 Å²	63	52.2 Å²	52.2	41%	0.409	28%	0.28	S	S	.	.	S	Bend	trans	-64.8	134.5	173.6	26.9	-35.1	0	0	0	111.4	I551 H552 T555	I551-P570 HydrophobicContact CG2-CB 3.98Å; H552-P570 WeakPolarHBondContact O-CB 3.26Å; T555-P570 PolarHBondContact N-O 2.85Å
571	G	90.8	Very high	86	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170	-170.5	-177.2	0	0	0	0	0	115.3	I551 T555 Q569	I551-G571 VanDerWaalsContact CG2-N 3.29Å; T555-G571 CarbonylContact O-C 3.59Å; T555-G571 WeakPolarHBondContact O-CA 3.46Å; Q569-G571 PolarHBondContact O-N 2.8Å
572	Y	93.7	Very high	86	Confident	32 Å²	32	50.2 Å²	50.2	13%	0.125	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	144.7	-176.8	69.1	-81.5	0	0	0	111	L392 V394 I542 P554 T555 R556 F557 Q574	L392-Y572 CarbonylContact O-C 3.57Å; L392-Y572 WeakPolarHBondContact O-CA 3.23Å; L392-Y572 VanDerWaalsContact O-CB 3.31Å; L392-Y572 WeakPolarHBondContact O-CB 3.34Å; V394-Y572 HydrophobicContact CG2-CD2 4.48Å; I542-Y572 HydrophobicContact CD1-CD2 4.32Å; I542-Y572 HydrophobicContact CD1-CE2 3.78Å; I542-Y572 HydrophobicContact CG2-CD1 3.78Å; I542-Y572 HydrophobicContact CG2-CD2 4.05Å; I542-Y572 HydrophobicContact CG2-CE1 3.73Å; I542-Y572 HydrophobicContact CG2-CE2 4.02Å; I542-Y572 HydrophobicContact CG2-CG 3.92Å; P554-Y572 HydrophobicContact CB-CD1 4.12Å; T555-Y572 WeakPolarHBondContact O-CD1 3.31Å; T555-Y572 PolarHBondContact O-N 2.84Å; R556-Y572 HydrophobicContact CB-CE1 3.84Å; R556-Y572 HydrophobicContact CB-CE2 3.99Å; R556-Y572 HydrophobicContact CG-CD2 4.43Å; R556-Y572 HydrophobicContact CG-CE1 4.5Å; R556-Y572 HydrophobicContact CG-CE2 3.73Å; F557-Y572 PolarHBondContact N-O 2.75Å; Y572-Q574 HydrophobicContact CD2-CB 4.01Å; Y572-Q574 HydrophobicContact CE2-CB 3.95Å
573	V	93.4	Very high	85.9	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	116.6	178.8	-175	0	0	0	0	108.7	L380 V381 T391 L392 A393 V394 M395 F557	L380-V573 HydrophobicContact CD2-CG1 4.45Å; L380-V573 HydrophobicContact CD2-CG2 3.94Å; L380-V573 HydrophobicContact CG-CG2 4.2Å; V381-V573 HydrophobicContact CG2-CB 3.61Å; V381-V573 HydrophobicContact CG2-CG1 3.9Å; V381-V573 HydrophobicContact CG2-CG2 3.66Å; T391-V573 HydrophobicContact CG2-CG2 3.94Å; L392-V573 PolarHBondContact O-N 3.07Å; A393-V573 CarbonylContact C-O 3.48Å; A393-V573 WeakPolarHBondContact CA-O 3.49Å; V394-V573 PolarHBondContact N-O 3.1Å; M395-V573 HydrophobicContact CE-CG1 4.37Å; F557-V573 HydrophobicContact CB-CG2 4.36Å; F557-V573 HydrophobicContact CD2-CG2 4.4Å; F557-V573 CarbonylContact O-C 3.53Å; F557-V573 WeakPolarHBondContact O-CA 3.42Å
574	Q	93	Very high	86.1	Confident	8 Å²	8	44.9 Å²	44.9	4%	0.037	25%	0.248	C	C	.	.			trans	-134.8	87.2	176.9	-175	-174.1	22.8	0	0	109	V394 R556 F557 Y572 V576	V394-Q574 HydrophobicContact CB-CB 4.17Å; V394-Q574 HydrophobicContact CB-CG 4.03Å; V394-Q574 HydrophobicContact CG1-CG 4.23Å; R556-Q574 HydrophobicContact CG-CB 4.41Å; R556-Q574 PolarHBondContact NE-O 3.04Å; R556-Q574 PolarHBondContact NH2-O 3.22Å; F557-Q574 PolarHBondContact O-N 3.16Å; Y572-Q574 HydrophobicContact CD2-CB 4.01Å; Y572-Q574 HydrophobicContact CE2-CB 3.95Å; Q574-V576 VanDerWaalsContact C-N 3.33Å; Q574-V576 WeakPolarHBondContact CG-O 3.38Å; Q574-V576 PolarHBondContact O-N 3.37Å
575	P	87.4	Confident	86.4	Confident	16 Å²	16	38 Å²	38	10%	0.104	22%	0.217	C	C	.	.	S	Bend	trans	-65.6	-36.8	-177.4	25.2	-33.6	0	0	0	112.2	P376 M395 F399 V558	P376-P575 HydrophobicContact CB-CB 3.81Å; P376-P575 WeakPolarHBondContact O-CB 3.2Å; P376-P575 WeakPolarHBondContact O-CG 3.28Å; M395-P575 HydrophobicContact CE-CG 4.45Å; M395-P575 HydrophobicContact CG-CG 4.18Å; F399-P575 HydrophobicContact CE1-CG 3.86Å; F399-P575 HydrophobicContact CZ-CB 4.44Å; F399-P575 HydrophobicContact CZ-CG 3.89Å; V558-P575 VanDerWaalsContact O-CA 3.25Å; V558-P575 WeakPolarHBondContact O-CA 3.39Å; V558-P575 WeakPolarHBondContact O-CB 3.14Å
576	V	85.1	Confident	86.7	Confident	59 Å²	59	33.8 Å²	33.8	36%	0.358	19%	0.191	S	C	.	.			trans	-121.3	126.5	-176.8	-163.9	0	0	0	0	109.4	P396 F399 Q574 T578	P396-V576 HydrophobicContact CG-CB 4.43Å; F399-V576 HydrophobicContact CE2-CG2 3.98Å; F399-V576 HydrophobicContact CZ-CG2 4.31Å; Q574-V576 VanDerWaalsContact C-N 3.33Å; Q574-V576 WeakPolarHBondContact CG-O 3.38Å; Q574-V576 PolarHBondContact O-N 3.37Å; V576-T578 VanDerWaalsContact CG1-O 3.24Å; V576-T578 WeakPolarHBondContact CG1-O 3.4Å
577	L	80.7	Confident	87	Confident	62 Å²	62	33 Å²	33	33%	0.325	19%	0.187	S	C	.	.	S	Bend	trans	-73.3	-41	174.9	-70.2	173.3	0	0	0	111.6	P579	L577-P579 WeakPolarHBondContact O-CD 3.02Å
578	T	79.2	Confident	87.2	Confident	32 Å²	32	32.9 Å²	32.9	20%	0.196	19%	0.186	C	C	.	.			trans	-75.1	121.4	175.1	-41	0	0	0	0	110.1	V576 L580 K1023	V576-T578 VanDerWaalsContact CG1-O 3.24Å; V576-T578 WeakPolarHBondContact CG1-O 3.4Å; T578-L580 HydrophobicContact CG2-CB 4.3Å; T578-L580 WeakPolarHBondContact CG2-O 3.4Å; T578-L580 PolarHBondContact O-N 3.43Å; T578-K1023 HydrophobicContact CG2-CB 4.26Å
579	P	79.3	Confident	87.5	Confident	9 Å²	9	27.5 Å²	27.5	6%	0.058	16%	0.161	C	C	.	.	S	Bend	trans	-78.1	-1.6	177.8	33.6	-37.3	0	0	0	113.4	L577 V709 I1022 F1026	L577-P579 WeakPolarHBondContact O-CD 3.02Å; P579-V709 HydrophobicContact CB-CG1 3.71Å; P579-V709 HydrophobicContact CG-CG1 3.72Å; P579-V709 HydrophobicContact CG-CG2 4.3Å; P579-I1022 HydrophobicContact CG-CG2 3.95Å; P579-F1026 HydrophobicContact CG-CD2 3.6Å; P579-F1026 HydrophobicContact CG-CE2 3.93Å; P579-F1026 HydrophobicContact CG-CG 4.13Å
580	L	84.3	Confident	87.5	Confident	9 Å²	9	25.3 Å²	25.3	5%	0.047	15%	0.152	C	C	.	.	S	Bend	trans	-116.7	140.4	-178.6	-60.1	175.6	0	0	0	110.8	T578 L584 I586 V709 I712 I1022	T578-L580 HydrophobicContact CG2-CB 4.3Å; T578-L580 WeakPolarHBondContact CG2-O 3.4Å; T578-L580 PolarHBondContact O-N 3.43Å; L580-L584 HydrophobicContact CD2-CD1 4.11Å; L580-I586 HydrophobicContact CD1-CD1 4.01Å; L580-V709 HydrophobicContact CD1-CG2 4.3Å; L580-V709 HydrophobicContact CD2-CB 4.31Å; L580-V709 HydrophobicContact CD2-CG1 3.86Å; L580-V709 HydrophobicContact CD2-CG2 4.17Å; L580-V709 HydrophobicContact CG-CG1 4.37Å; L580-V709 HydrophobicContact CG-CG2 4.26Å; L580-I712 HydrophobicContact CD1-CD1 3.64Å; L580-I712 HydrophobicContact CD2-CD1 3.56Å; L580-I712 HydrophobicContact CD2-CG1 3.66Å; L580-I712 HydrophobicContact CG-CD1 4.26Å; L580-I1022 HydrophobicContact CD1-CB 4.5Å; L580-I1022 HydrophobicContact CD1-CD1 3.66Å; L580-I1022 HydrophobicContact CD1-CG2 4.01Å; L580-I1022 HydrophobicContact CG-CG2 4.44Å
581	P	81.9	Confident	87.6	Confident	45 Å²	45	23.2 Å²	23.2	29%	0.292	14%	0.137	S	C	.	.			trans	-83	150.4	170.4	35.8	-34.9	0	0	0	111.5	H583 L584 H1019	P581-H583 VanDerWaalsContact C-N 3.3Å; P581-H583 VanDerWaalsContact CB-CE1 3.42Å; P581-H583 WeakPolarHBondContact CB-CE1 3.38Å; P581-H583 VanDerWaalsContact CG-CE1 3.48Å; P581-H583 WeakPolarHBondContact CG-CE1 2.97Å; P581-H583 PolarHBondContact O-N 2.92Å; P581-L584 HydrophobicContact CG-CD1 4.26Å; P581-L584 HydrophobicContact CG-CG 4.15Å; P581-L584 PolarHBondContact O-N 2.91Å; P581-H1019 PolarHBondContact O-CE1 3.34Å
582	S	80.3	Confident	87.4	Confident	114 Å²	114	29.8 Å²	29.8	80%	0.797	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-16.8	-169	49.4	0	0	0	0	115.6	L584	S582-L584 VanDerWaalsContact C-N 3.27Å; S582-L584 PolarHBondContact O-N 2.85Å
583	H	83.9	Confident	87.3	Confident	30 Å²	30	34.2 Å²	34.2	14%	0.139	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	3.1	177.1	62.5	-86.6	0	0	0	114.6	P581 T585 G716 Q719 Q720 S722	P581-H583 VanDerWaalsContact C-N 3.3Å; P581-H583 VanDerWaalsContact CB-CE1 3.42Å; P581-H583 WeakPolarHBondContact CB-CE1 3.38Å; P581-H583 VanDerWaalsContact CG-CE1 3.48Å; P581-H583 WeakPolarHBondContact CG-CE1 2.97Å; P581-H583 PolarHBondContact O-N 2.92Å; H583-T585 PolarHBondContact O-N 3.35Å; H583-G716 PolarHBondContact NE2-O 2.79Å; H583-Q719 PolarHBondContact CE1-OE1 3.27Å; H583-Q719 PolarHBondContact ND1-OE1 2.86Å; H583-Q720 PolarHBondContact CD2-O 3.1Å; H583-Q720 VanDerWaalsContact CD2-O 3.26Å; H583-S722 PolarHBondContact O-N 3.08Å
584	L	89.1	Confident	87.2	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	108.1	165.7	-62.9	-177	0	0	0	109.5	L580 P581 S582 I586 I712 V715 S1015 H1019	L580-L584 HydrophobicContact CD2-CD1 4.11Å; P581-L584 HydrophobicContact CG-CD1 4.26Å; P581-L584 HydrophobicContact CG-CG 4.15Å; P581-L584 PolarHBondContact O-N 2.91Å; S582-L584 VanDerWaalsContact C-N 3.27Å; S582-L584 PolarHBondContact O-N 2.85Å; L584-I586 PolarHBondContact O-N 3.47Å; L584-I712 HydrophobicContact CD1-CD1 4.41Å; L584-V715 HydrophobicContact CD2-CB 4.18Å; L584-S1015 PolarHBondContact O-OG 3.32Å; L584-H1019 PolarHBondContact O-NE2 3.37Å
585	T	90.7	Very high	87.2	Confident	13 Å²	13	37.9 Å²	37.9	8%	0.08	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	110.7	168.5	-52.8	0	0	0	0	108.8	H583 S722 Y723 C724	H583-T585 PolarHBondContact O-N 3.35Å; T585-S722 PolarHBondContact N-O 3.21Å; T585-Y723 HydrophobicContact CG2-CD1 4.27Å; T585-Y723 HydrophobicContact CG2-CE1 4.36Å; T585-C724 PolarHBondContact O-N 2.74Å
586	I	91.9	Very high	87.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	129.2	177.7	-54.7	171.4	0	0	0	109.5	L580 L584 Y708 I712 C724 S1015 V1018	L580-I586 HydrophobicContact CD1-CD1 4.01Å; L584-I586 PolarHBondContact O-N 3.47Å; I586-Y708 WeakPolarHBondContact CG2-OH 3.43Å; I586-I712 HydrophobicContact CD1-CD1 3.85Å; I586-I712 HydrophobicContact CG1-CD1 4.31Å; I586-C724 CarbonylContact C-O 3.54Å; I586-C724 WeakPolarHBondContact CA-O 3.44Å; I586-C724 HydrophobicContact CG1-CB 4.19Å; I586-S1015 PolarHBondContact N-OG 3.24Å; I586-S1015 WeakPolarHBondContact O-CA 3.31Å; I586-S1015 WeakPolarHBondContact O-CB 3.49Å; I586-V1018 HydrophobicContact CB-CB 4.46Å; I586-V1018 HydrophobicContact CD1-CB 4.23Å; I586-V1018 HydrophobicContact CD1-CG1 3.97Å; I586-V1018 HydrophobicContact CG2-CB 4.27Å; I586-V1018 HydrophobicContact CG2-CG1 4.09Å; I586-V1018 HydrophobicContact CG2-CG2 4.17Å
587	S	91.7	Very high	88	Confident	7 Å²	7	38 Å²	38	5%	0.049	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	158.4	172.7	62.5	0	0	0	0	111.3	C724 H725 A726 Y992	S587-C724 PolarHBondContact N-O 3.2Å; S587-H725 CarbonylContact O-C 3.57Å; S587-H725 VanDerWaalsContact O-CA 3.3Å; S587-H725 WeakPolarHBondContact O-CA 3.24Å; S587-H725 PolarHBondContact O-ND1 3.04Å; S587-H725 PolarHBondContact OG-ND1 2.78Å; S587-A726 PolarHBondContact O-N 2.69Å; S587-A726 VanDerWaalsContact O-N 3.09Å; S587-Y992 PolarHBondContact OG-OH 3.36Å
588	A	92.4	Very high	88.7	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.008	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	145.7	-179.4	0	0	0	0	0	110.1	A726 L728 V983 A984 Q985 I991	A588-A726 CarbonylContact C-O 3.54Å; A588-A726 VanDerWaalsContact CA-O 3.28Å; A588-A726 WeakPolarHBondContact CA-O 3.43Å; A588-A726 HydrophobicContact CB-CB 4.42Å; A588-L728 HydrophobicContact CB-CD1 3.91Å; A588-V983 HydrophobicContact CB-CG2 4.25Å; A588-A984 HydrophobicContact CB-CB 3.81Å; A588-A984 VanDerWaalsContact O-CA 3.29Å; A588-A984 WeakPolarHBondContact O-CA 3.43Å; A588-Q985 PolarHBondContact O-N 2.9Å; A588-Q985 VanDerWaalsContact O-N 3.09Å; A588-I991 WeakPolarHBondContact O-CD1 3.47Å
589	S	91.6	Very high	89.5	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	163.8	176.9	73.8	0	0	0	0	112.3	D591 H725 A726 F727 L728 Q985	S589-D591 WeakPolarHBondContact CB-OD2 3.47Å; S589-D591 PolarHBondContact OG-OD2 2.94Å; S589-H725 PolarHBondContact OG-NE2 2.79Å; S589-A726 PolarHBondContact N-O 3.18Å; S589-F727 WeakPolarHBondContact OG-CD1 3.39Å; S589-F727 WeakPolarHBondContact OG-CE1 3.42Å; S589-L728 PolarHBondContact O-N 2.96Å; S589-Q985 CarbonylContact C-O 3.13Å; S589-Q985 WeakPolarHBondContact CA-O 3.35Å
590	M	88.9	Confident	90.1	Very high	32 Å²	32	38.2 Å²	38.2	16%	0.158	20%	0.202	C	C	.	.			trans	-125.8	40.4	-175	-81.5	-177.6	-56	0	0	111.3	L728 S730 A984 Q985 P986	M590-L728 HydrophobicContact CG-CB 3.77Å; M590-L728 HydrophobicContact CG-CD2 4.5Å; M590-S730 WeakPolarHBondContact O-CA 3.41Å; M590-S730 WeakPolarHBondContact O-CB 3.1Å; M590-A984 HydrophobicContact CE-CB 3.82Å; M590-A984 WeakPolarHBondContact CE-O 3.44Å; M590-A984 HydrophobicContact CG-CB 4.01Å; M590-A984 HydrophobicContact SD-CB 4.11Å; M590-Q985 PolarHBondContact N-O 3.08Å; M590-P986 CarbonylContact C-O 3.54Å; M590-P986 VanDerWaalsContact O-O 3.08Å
591	D	90.7	Very high	90.6	Very high	18 Å²	18	37.8 Å²	37.8	10%	0.096	20%	0.2	C	C	.	.			trans	-68.3	130	-179.6	-55.3	-100.7	0	0	0	112.7	S589 K593 K594 A597 P986 L988	S589-D591 WeakPolarHBondContact CB-OD2 3.47Å; S589-D591 PolarHBondContact OG-OD2 2.94Å; D591-K593 VanDerWaalsContact C-N 3.29Å; D591-K593 PolarHBondContact O-N 2.87Å; D591-K594 WeakPolarHBondContact O-CG 3.46Å; D591-A597 HydrophobicContact CB-CB 3.56Å; D591-A597 VanDerWaalsContact CG-CB 3.44Å; D591-P986 PolarHBondContact N-O 2.58Å; D591-L988 VanDerWaalsContact OD1-CB 3.27Å; D591-L988 WeakPolarHBondContact OD1-CB 3.48Å; D591-L988 PolarHBondContact OD1-N 3.39Å; D591-L988 WeakPolarHBondContact OD2-CB 3.42Å; D591-L988 PolarHBondContact OD2-N 3.26Å
592	D	86.5	Confident	91.2	Very high	139 Å²	139	35.7 Å²	35.7	74%	0.743	19%	0.186	S	C	*	.	S	Bend	trans	-56.4	-42.6	174.5	-63.3	-56	0	0	0	112.6	S730	D592-S730 WeakPolarHBondContact OD1-CB 3.42Å; D592-S730 PolarHBondContact OD1-OG 3.12Å
593	K	90.6	Very high	91.7	Very high	124 Å²	124	31.5 Å²	31.5	54%	0.539	16%	0.156	S	C	.	.			trans	-103.7	73.5	-178.8	-68.7	-168.3	-179.2	178.8	0	111.3	D591 D595 E596 A597	D591-K593 VanDerWaalsContact C-N 3.29Å; D591-K593 PolarHBondContact O-N 2.87Å; K593-D595 PolarHBondContact O-N 3.29Å; K593-D595 VanDerWaalsContact O-N 3.1Å; K593-E596 HydrophobicContact CB-CB 4.17Å; K593-E596 HydrophobicContact CB-CG 4.45Å; K593-E596 HydrophobicContact CD-CG 4.18Å; K593-E596 VanDerWaalsContact CD-OE1 3.23Å; K593-E596 WeakPolarHBondContact CD-OE1 3.27Å; K593-E596 VanDerWaalsContact CD-OE2 3.31Å; K593-E596 WeakPolarHBondContact CD-OE2 3.45Å; K593-E596 WeakPolarHBondContact CE-OE1 3.35Å; K593-E596 IonicContact NZ-OE1 2.67Å; K593-E596 PolarHBondContact NZ-OE1 2.75Å; K593-E596 IonicContact NZ-OE2 2.69Å; K593-E596 PolarHBondContact NZ-OE2 3.06Å; K593-E596 PolarHBondContact O-N 2.92Å; K593-E596 VanDerWaalsContact O-N 3.13Å; K593-A597 WeakPolarHBondContact O-CB 3.4Å; K593-A597 PolarHBondContact O-N 3Å
594	K	91.7	Very high	92	Very high	33 Å²	33	30.8 Å²	30.8	14%	0.143	15%	0.152	C	C	.	.	H	α-helix	trans	-51.7	-34	-178.6	-62.7	-172.9	179.3	-169.3	0	114.7	D591 L598 F699 F727 L728 P729	D591-K594 WeakPolarHBondContact O-CG 3.46Å; K594-L598 VanDerWaalsContact O-CB 3.25Å; K594-L598 WeakPolarHBondContact O-CB 3.45Å; K594-L598 PolarHBondContact O-N 3.17Å; K594-F699 HydrophobicContact CB-CD2 4.32Å; K594-F699 HydrophobicContact CB-CE2 3.57Å; K594-F699 HydrophobicContact CB-CZ 3.91Å; K594-F727 HydrophobicContact CD-CB 3.99Å; K594-F727 HydrophobicContact CG-CB 4.31Å; K594-F727 PolarHBondContact NZ-O 3.02Å; K594-L728 WeakPolarHBondContact CE-O 3.42Å; K594-L728 VanDerWaalsContact NZ-C 3.31Å; K594-L728 PolarHBondContact NZ-O 3.29Å; K594-P729 VanDerWaalsContact NZ-N 3.1Å
595	D	93.7	Very high	91.8	Very high	52 Å²	52	33.6 Å²	33.6	28%	0.278	16%	0.164	S	C	.	.	H	α-helix	trans	-68.7	-47.1	178.6	-58.8	-58.7	0	0	0	112.3	K593 A597 L598 L599 L627 Y630 F699	K593-D595 PolarHBondContact O-N 3.29Å; K593-D595 VanDerWaalsContact O-N 3.1Å; D595-A597 VanDerWaalsContact C-N 3.33Å; D595-L598 PolarHBondContact O-N 3.46Å; D595-L599 PolarHBondContact O-N 2.97Å; D595-L627 WeakPolarHBondContact OD1-CD1 3.31Å; D595-Y630 HydrophobicContact CB-CD1 4.31Å; D595-Y630 HydrophobicContact CB-CE1 3.96Å; D595-Y630 WeakPolarHBondContact O-CE1 3.41Å; D595-F699 WeakPolarHBondContact OD1-CZ 3.42Å
596	E	94.2	Very high	91.7	Very high	75 Å²	75	34.1 Å²	34.1	35%	0.35	17%	0.168	S	C	.	.	H	α-helix	trans	-66.3	-37.5	174.9	-70.8	-178.8	-159.9	0	0	111.1	K593 L599 K600	K593-E596 HydrophobicContact CB-CB 4.17Å; K593-E596 HydrophobicContact CB-CG 4.45Å; K593-E596 HydrophobicContact CD-CG 4.18Å; K593-E596 VanDerWaalsContact CD-OE1 3.23Å; K593-E596 WeakPolarHBondContact CD-OE1 3.27Å; K593-E596 VanDerWaalsContact CD-OE2 3.31Å; K593-E596 WeakPolarHBondContact CD-OE2 3.45Å; K593-E596 WeakPolarHBondContact CE-OE1 3.35Å; K593-E596 IonicContact NZ-OE1 2.67Å; K593-E596 PolarHBondContact NZ-OE1 2.75Å; K593-E596 IonicContact NZ-OE2 2.69Å; K593-E596 PolarHBondContact NZ-OE2 3.06Å; K593-E596 PolarHBondContact O-N 2.92Å; K593-E596 VanDerWaalsContact O-N 3.13Å; E596-L599 PolarHBondContact O-N 3.29Å; E596-K600 VanDerWaalsContact O-CG 3.31Å; E596-K600 WeakPolarHBondContact O-CG 3.39Å; E596-K600 PolarHBondContact O-N 2.88Å
597	A	94.2	Very high	91.7	Very high	3 Å²	3	34.1 Å²	34.1	3%	0.025	17%	0.168	C	C	.	.	H	α-helix	trans	-65.2	-46.5	175.2	0	0	0	0	0	111.3	D591 K593 D595 L599 K600 L601 F727 L988	D591-A597 HydrophobicContact CB-CB 3.56Å; D591-A597 VanDerWaalsContact CG-CB 3.44Å; K593-A597 WeakPolarHBondContact O-CB 3.4Å; K593-A597 PolarHBondContact O-N 3Å; D595-A597 VanDerWaalsContact C-N 3.33Å; A597-L599 VanDerWaalsContact C-N 3.29Å; A597-L599 PolarHBondContact O-N 3.31Å; A597-K600 CarbonylContact O-C 3.53Å; A597-K600 WeakPolarHBondContact O-CB 3.14Å; A597-K600 PolarHBondContact O-N 2.89Å; A597-K600 VanDerWaalsContact O-N 3.12Å; A597-L601 WeakPolarHBondContact O-CB 3.48Å; A597-L601 PolarHBondContact O-N 3.03Å; A597-F727 HydrophobicContact CB-CD1 4.46Å; A597-F727 HydrophobicContact CB-CE1 3.65Å; A597-F727 HydrophobicContact CB-CZ 4.22Å; A597-L988 HydrophobicContact CB-CD2 4.2Å; A597-L988 WeakPolarHBondContact O-CD2 3.42Å
598	L	96.1	Very high	91.6	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-58.3	-41.1	174.7	175.7	64.3	0	0	0	112.2	K594 D595 K600 L601 L602 I616 L627 I631 I697 F699 F727	K594-L598 VanDerWaalsContact O-CB 3.25Å; K594-L598 WeakPolarHBondContact O-CB 3.45Å; K594-L598 PolarHBondContact O-N 3.17Å; D595-L598 PolarHBondContact O-N 3.46Å; L598-K600 VanDerWaalsContact C-N 3.34Å; L598-K600 PolarHBondContact O-N 3.13Å; L598-L601 HydrophobicContact CD1-CD2 4.24Å; L598-L601 PolarHBondContact O-N 2.96Å; L598-L602 HydrophobicContact CD1-CD1 4.08Å; L598-L602 HydrophobicContact CD1-CG 4.04Å; L598-L602 HydrophobicContact CG-CD1 4.13Å; L598-L602 HydrophobicContact CG-CG 4.48Å; L598-L602 WeakPolarHBondContact O-CG 3.46Å; L598-L602 PolarHBondContact O-N 3.48Å; L598-I616 HydrophobicContact CD1-CD1 3.97Å; L598-I616 HydrophobicContact CD2-CD1 4.15Å; L598-L627 HydrophobicContact CD2-CD1 3.69Å; L598-L627 HydrophobicContact CD2-CD2 3.56Å; L598-L627 HydrophobicContact CD2-CG 3.72Å; L598-I631 HydrophobicContact CD2-CD1 3.82Å; L598-I631 HydrophobicContact CG-CD1 4.36Å; L598-I697 HydrophobicContact CD1-CD1 4.11Å; L598-I697 HydrophobicContact CD1-CG2 4.09Å; L598-F699 HydrophobicContact CD2-CD2 4.18Å; L598-F727 HydrophobicContact CB-CE2 4Å; L598-F727 HydrophobicContact CB-CZ 4.17Å; L598-F727 HydrophobicContact CD1-CE2 3.93Å
599	L	94.9	Very high	91.5	Very high	35 Å²	35	42.5 Å²	42.5	18%	0.183	20%	0.201	C	C	.	.	H	α-helix	trans	-61.5	-42.7	176.4	-167.9	70.6	0	0	0	111.6	D595 E596 A597 T603 Y630 A634 L635	D595-L599 PolarHBondContact O-N 2.97Å; E596-L599 PolarHBondContact O-N 3.29Å; A597-L599 VanDerWaalsContact C-N 3.29Å; A597-L599 PolarHBondContact O-N 3.31Å; L599-T603 WeakPolarHBondContact O-CB 3.42Å; L599-T603 WeakPolarHBondContact O-CG2 3.11Å; L599-T603 PolarHBondContact O-N 3.17Å; L599-T603 VanDerWaalsContact O-N 3.16Å; L599-T603 PolarHBondContact O-OG1 3.29Å; L599-Y630 HydrophobicContact CB-CE1 4.27Å; L599-Y630 HydrophobicContact CD2-CE1 4.35Å; L599-A634 HydrophobicContact CD1-CB 3.65Å; L599-A634 HydrophobicContact CD2-CB 3.85Å; L599-A634 HydrophobicContact CG-CB 4.43Å; L599-L635 HydrophobicContact CD1-CD1 4.01Å; L599-L635 HydrophobicContact CD1-CD2 3.58Å; L599-L635 HydrophobicContact CD1-CG 3.64Å; L599-L635 HydrophobicContact CG-CD2 4.37Å
600	K	93.5	Very high	91.4	Very high	72 Å²	72	43 Å²	43	31%	0.313	20%	0.203	S	C	.	.	H	α-helix	trans	-64.6	-46.3	173.4	-70.9	164.5	-175.4	173.2	0	111.5	E596 A597 L598 L602 T603 R604 L988	E596-K600 VanDerWaalsContact O-CG 3.31Å; E596-K600 WeakPolarHBondContact O-CG 3.39Å; E596-K600 PolarHBondContact O-N 2.88Å; A597-K600 CarbonylContact O-C 3.53Å; A597-K600 WeakPolarHBondContact O-CB 3.14Å; A597-K600 PolarHBondContact O-N 2.89Å; A597-K600 VanDerWaalsContact O-N 3.12Å; L598-K600 VanDerWaalsContact C-N 3.34Å; L598-K600 PolarHBondContact O-N 3.13Å; K600-L602 PolarHBondContact O-N 2.97Å; K600-T603 PolarHBondContact O-N 2.77Å; K600-T603 PolarHBondContact O-OG1 2.92Å; K600-R604 WeakPolarHBondContact O-CB 3.45Å; K600-R604 WeakPolarHBondContact O-CG 3.5Å; K600-R604 PolarHBondContact O-N 2.72Å; K600-L988 HydrophobicContact CB-CD2 3.78Å
601	L	94.4	Very high	91.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-55.6	-51.6	179.6	176.7	75.7	0	0	0	110.6	A597 L598 T603 F607 I697 H725 F727 L988 Y992	A597-L601 WeakPolarHBondContact O-CB 3.48Å; A597-L601 PolarHBondContact O-N 3.03Å; L598-L601 HydrophobicContact CD1-CD2 4.24Å; L598-L601 PolarHBondContact O-N 2.96Å; L601-T603 VanDerWaalsContact C-N 3.35Å; L601-T603 PolarHBondContact O-N 3.08Å; L601-F607 HydrophobicContact CD1-CD2 3.78Å; L601-F607 HydrophobicContact CD1-CE2 3.34Å; L601-F607 HydrophobicContact CD1-CZ 3.76Å; L601-F607 HydrophobicContact CD2-CZ 4.42Å; L601-F607 HydrophobicContact CG-CD2 4.02Å; L601-F607 HydrophobicContact CG-CE1 4.45Å; L601-F607 HydrophobicContact CG-CE2 3.95Å; L601-F607 HydrophobicContact CG-CG 4.36Å; L601-F607 HydrophobicContact CG-CZ 4.16Å; L601-F607 VanDerWaalsContact O-CB 3.31Å; L601-F607 WeakPolarHBondContact O-CB 3.39Å; L601-F607 WeakPolarHBondContact O-CD2 3.46Å; L601-I697 HydrophobicContact CD2-CD1 3.76Å; L601-I697 HydrophobicContact CD2-CG1 4.07Å; L601-I697 HydrophobicContact CD2-CG2 4.04Å; L601-H725 HydrophobicContact CD2-CB 4.15Å; L601-F727 HydrophobicContact CB-CZ 4.23Å; L601-F727 HydrophobicContact CD2-CE2 3.77Å; L601-F727 HydrophobicContact CD2-CZ 3.78Å; L601-L988 HydrophobicContact CB-CD1 4.09Å; L601-L988 HydrophobicContact CB-CD2 3.8Å; L601-L988 HydrophobicContact CD1-CD1 3.55Å; L601-L988 HydrophobicContact CG-CD1 4.39Å; L601-Y992 HydrophobicContact CD1-CD2 3.7Å; L601-Y992 HydrophobicContact CD1-CE2 3.77Å
602	L	94.4	Very high	91.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.3	-39.4	179.5	-68.5	174.7	0	0	0	112.2	L598 K600 F607 N608 I614 I616 I631 W649 I697	L598-L602 HydrophobicContact CD1-CD1 4.08Å; L598-L602 HydrophobicContact CD1-CG 4.04Å; L598-L602 HydrophobicContact CG-CD1 4.13Å; L598-L602 HydrophobicContact CG-CG 4.48Å; L598-L602 WeakPolarHBondContact O-CG 3.46Å; L598-L602 PolarHBondContact O-N 3.48Å; K600-L602 PolarHBondContact O-N 2.97Å; L602-F607 CarbonylContact O-C 3.56Å; L602-N608 WeakPolarHBondContact O-CA 3.21Å; L602-N608 PolarHBondContact O-N 3.12Å; L602-N608 VanDerWaalsContact O-N 3.14Å; L602-I614 HydrophobicContact CD2-CD1 4.01Å; L602-I614 HydrophobicContact CD2-CG2 4.08Å; L602-I616 HydrophobicContact CD1-CD1 4.37Å; L602-I631 HydrophobicContact CD1-CD1 3.76Å; L602-I631 HydrophobicContact CD1-CG1 4.34Å; L602-W649 HydrophobicContact CB-CH2 3.82Å; L602-W649 HydrophobicContact CB-CZ2 4.44Å; L602-W649 HydrophobicContact CB-CZ3 3.93Å; L602-W649 HydrophobicContact CD2-CH2 4.43Å; L602-W649 HydrophobicContact CD2-CZ3 4.06Å; L602-W649 HydrophobicContact CG-CZ3 4.39Å; L602-W649 WeakPolarHBondContact O-CH2 3.37Å; L602-W649 WeakPolarHBondContact O-CZ2 3.18Å; L602-I697 HydrophobicContact CD2-CD1 3.78Å
603	T	91.1	Very high	91.6	Very high	26 Å²	26	37.3 Å²	37.3	16%	0.16	18%	0.177	C	C	.	.	H	α-helix	trans	-87.3	-11	-174.5	55.6	0	0	0	0	115.5	L599 K600 L601 N608 L635 K638	L599-T603 WeakPolarHBondContact O-CB 3.42Å; L599-T603 WeakPolarHBondContact O-CG2 3.11Å; L599-T603 PolarHBondContact O-N 3.17Å; L599-T603 VanDerWaalsContact O-N 3.16Å; L599-T603 PolarHBondContact O-OG1 3.29Å; K600-T603 PolarHBondContact O-N 2.77Å; K600-T603 PolarHBondContact O-OG1 2.92Å; L601-T603 VanDerWaalsContact C-N 3.35Å; L601-T603 PolarHBondContact O-N 3.08Å; T603-N608 WeakPolarHBondContact O-CB 3.44Å; T603-N608 PolarHBondContact O-ND2 3.04Å; T603-L635 HydrophobicContact CG2-CD1 4.03Å; T603-L635 HydrophobicContact CG2-CD2 3.47Å; T603-L635 VanDerWaalsContact CG2-CD2 3.47Å; T603-L635 HydrophobicContact CG2-CG 4.45Å; T603-K638 HydrophobicContact CG2-CD 4.01Å
604	R	89.1	Confident	91.8	Very high	15 Å²	15	31.4 Å²	31.4	6%	0.057	15%	0.152	C	C	.	.	S	Bend	trans	-90.1	168.4	171.7	-69.2	175.2	-170.5	-178.4	-1.9	111.7	K600 F607 N608 Q989 Y992 E994	K600-R604 WeakPolarHBondContact O-CB 3.45Å; K600-R604 WeakPolarHBondContact O-CG 3.5Å; K600-R604 PolarHBondContact O-N 2.72Å; R604-F607 PolarHBondContact O-N 2.93Å; R604-N608 VanDerWaalsContact C-CG 3.42Å; R604-N608 VanDerWaalsContact C-ND2 3.32Å; R604-N608 WeakPolarHBondContact O-CB 3.46Å; R604-N608 PolarHBondContact O-N 3.3Å; R604-N608 PolarHBondContact O-OD1 3.35Å; R604-Q989 VanDerWaalsContact NH2-OE1 3.08Å; R604-Y992 VanDerWaalsContact CD-O 3.23Å; R604-Y992 WeakPolarHBondContact CD-O 3.45Å; R604-Y992 PolarHBondContact NH1-O 3.14Å; R604-E994 HydrophobicContact CG-CG 4.4Å; R604-E994 IonicContact CZ-OE1 3.66Å; R604-E994 VanDerWaalsContact CZ-OE1 3.24Å; R604-E994 IonicContact NE-OE1 2.69Å; R604-E994 PolarHBondContact NE-OE1 2.94Å; R604-E994 VanDerWaalsContact NH2-CD 3.29Å; R604-E994 IonicContact NH2-OE1 2.74Å; R604-E994 PolarHBondContact NH2-OE1 2.99Å
605	K	86.2	Confident	92	Very high	59 Å²	59	29.9 Å²	29.9	26%	0.257	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	147.9	169.1	-64.3	-175.1	-160.4	163.3	0	109.2	E995	K605-E995 WeakPolarHBondContact CD-OE1 3.49Å; K605-E995 VanDerWaalsContact CE-CD 3.48Å; K605-E995 VanDerWaalsContact CE-OE1 3.28Å; K605-E995 WeakPolarHBondContact CE-OE1 3.17Å; K605-E995 WeakPolarHBondContact CE-OE2 3.38Å; K605-E995 IonicContact NZ-OE1 3.06Å; K605-E995 PolarHBondContact NZ-OE1 2.75Å; K605-E995 IonicContact NZ-OE2 3.98Å; K605-E995 PolarHBondContact NZ-OE2 3.46Å
606	P	88.2	Confident	92.1	Very high	25 Å²	25	27.4 Å²	27.4	16%	0.162	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	cis	-83.1	-15	-0.1	32.4	-34.9	0	0	0	114.4	N608 R609 L610 Y723 Y992	P606-N608 PolarHBondContact O-N 3.44Å; P606-R609 WeakPolarHBondContact O-CA 3.32Å; P606-R609 PolarHBondContact O-N 3.2Å; P606-L610 PolarHBondContact O-N 3.28Å; P606-Y723 HydrophobicContact CB-CD2 4.18Å; P606-Y723 HydrophobicContact CB-CE1 4.32Å; P606-Y723 HydrophobicContact CB-CE2 3.61Å; P606-Y723 HydrophobicContact CG-CD1 3.76Å; P606-Y723 HydrophobicContact CG-CD2 3.73Å; P606-Y723 HydrophobicContact CG-CE1 3.6Å; P606-Y723 HydrophobicContact CG-CE2 3.54Å; P606-Y723 HydrophobicContact CG-CG 3.82Å; P606-Y723 VanDerWaalsContact CG-CZ 3.47Å; P606-Y992 HydrophobicContact CG-CE1 4.39Å
607	F	91.5	Very high	92.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-58.2	-41.3	-168.8	-64.7	-94.5	0	0	0	113.9	L601 L602 R604 R609 L610 A695 I697 Y723 H725 Y992	L601-F607 HydrophobicContact CD1-CD2 3.78Å; L601-F607 HydrophobicContact CD1-CE2 3.34Å; L601-F607 HydrophobicContact CD1-CZ 3.76Å; L601-F607 HydrophobicContact CD2-CZ 4.42Å; L601-F607 HydrophobicContact CG-CD2 4.02Å; L601-F607 HydrophobicContact CG-CE1 4.45Å; L601-F607 HydrophobicContact CG-CE2 3.95Å; L601-F607 HydrophobicContact CG-CG 4.36Å; L601-F607 HydrophobicContact CG-CZ 4.16Å; L601-F607 VanDerWaalsContact O-CB 3.31Å; L601-F607 WeakPolarHBondContact O-CB 3.39Å; L601-F607 WeakPolarHBondContact O-CD2 3.46Å; L602-F607 CarbonylContact O-C 3.56Å; R604-F607 PolarHBondContact O-N 2.93Å; F607-R609 PolarHBondContact O-N 3.04Å; F607-L610 HydrophobicContact CD1-CD1 4.1Å; F607-L610 WeakPolarHBondContact O-CB 3.46Å; F607-L610 PolarHBondContact O-N 2.94Å; F607-A695 HydrophobicContact CD1-CB 4.11Å; F607-A695 HydrophobicContact CE1-CB 3.83Å; F607-I697 HydrophobicContact CD1-CD1 4.28Å; F607-I697 HydrophobicContact CE1-CD1 4.09Å; F607-I697 HydrophobicContact CE1-CG1 4.18Å; F607-Y723 HydrophobicContact CZ-CG 4.48Å; F607-H725 HydrophobicContact CZ-CB 4.44Å; F607-Y992 HydrophobicContact CE2-CD2 4.47Å; F607-Y992 HydrophobicContact CE2-CE1 4.4Å; F607-Y992 AromaticContact CE2-CE2 3.97Å; F607-Y992 HydrophobicContact CE2-CE2 3.97Å; F607-Y992 AromaticContact CE2-CZ 3.95Å
608	N	89.9	Confident	92	Very high	31 Å²	31	24.2 Å²	24.2	17%	0.166	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-63.1	-21.9	176.9	67.5	7.8	0	0	0	113.9	L602 T603 R604 P606 V642 W649 R676	L602-N608 WeakPolarHBondContact O-CA 3.21Å; L602-N608 PolarHBondContact O-N 3.12Å; L602-N608 VanDerWaalsContact O-N 3.14Å; T603-N608 WeakPolarHBondContact O-CB 3.44Å; T603-N608 PolarHBondContact O-ND2 3.04Å; R604-N608 VanDerWaalsContact C-CG 3.42Å; R604-N608 VanDerWaalsContact C-ND2 3.32Å; R604-N608 WeakPolarHBondContact O-CB 3.46Å; R604-N608 PolarHBondContact O-N 3.3Å; R604-N608 PolarHBondContact O-OD1 3.35Å; P606-N608 PolarHBondContact O-N 3.44Å; N608-V642 WeakPolarHBondContact O-CG2 3.48Å; N608-W649 HydrophobicContact CB-CZ2 4.37Å; N608-R676 PolarHBondContact O-NH2 2.92Å
609	R	89.5	Confident	91.5	Very high	153 Å²	153	26.7 Å²	26.7	58%	0.577	14%	0.137	S	C	*	.	G	3₁₀ helix	trans	-96	0.1	176.5	-75.5	175.7	175.3	-160.7	-4.4	113.5	P606 F607 T611 V642	P606-R609 WeakPolarHBondContact O-CA 3.32Å; P606-R609 PolarHBondContact O-N 3.2Å; F607-R609 PolarHBondContact O-N 3.04Å; R609-T611 PolarHBondContact O-N 3.32Å; R609-V642 WeakPolarHBondContact O-CG1 3.29Å
610	L	90.8	Very high	91.1	Very high	11 Å²	11	26.3 Å²	26.3	6%	0.058	14%	0.136	C	C	.	.			trans	-72.2	126.5	174	-60	-178.4	0	0	0	110.5	P606 F607 I614 R676 Q694 A695 Y723	P606-L610 PolarHBondContact O-N 3.28Å; F607-L610 HydrophobicContact CD1-CD1 4.1Å; F607-L610 WeakPolarHBondContact O-CB 3.46Å; F607-L610 PolarHBondContact O-N 2.94Å; L610-I614 HydrophobicContact CD1-CD1 4.41Å; L610-I614 HydrophobicContact CD1-CG1 4.37Å; L610-R676 PolarHBondContact O-NH2 3.07Å; L610-Q694 HydrophobicContact CB-CB 4.45Å; L610-Q694 HydrophobicContact CD1-CB 4.2Å; L610-Q694 HydrophobicContact CD2-CB 4.16Å; L610-Q694 HydrophobicContact CG-CB 4.49Å; L610-A695 HydrophobicContact CD1-CB 3.73Å; L610-Y723 HydrophobicContact CD1-CD2 4.28Å; L610-Y723 HydrophobicContact CD2-CD2 4.01Å; L610-Y723 HydrophobicContact CD2-CE2 4.06Å
611	T	87.6	Confident	90.9	Very high	62 Å²	62	29.4 Å²	29.4	38%	0.38	15%	0.146	S	C	.	.			trans	-89.9	-22.2	176.9	50.4	0	0	0	0	112.8	R609 V642	R609-T611 PolarHBondContact O-N 3.32Å; T611-V642 HydrophobicContact CG2-CB 4.31Å; T611-V642 HydrophobicContact CG2-CG1 3.42Å; T611-V642 VanDerWaalsContact CG2-CG1 3.42Å
612	G	88.8	Confident	90.6	Very high	5 Å²	5	36.5 Å²	36.5	5%	0.052	18%	0.18	C	C	.	.	S	Bend	trans	-85.9	-173.4	-179.3	0	0	0	0	0	113.9	D692	G612-D692 CarbonylContact C-O 3.47Å; G612-D692 WeakPolarHBondContact CA-O 3.46Å
613	G	92.1	Very high	90.5	Very high	2 Å²	2	38.1 Å²	38.1	2%	0.021	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	141.9	177.3	0	0	0	0	0	112.8	D692 L693 Q694 A695	G613-D692 PolarHBondContact N-O 2.98Å; G613-L693 WeakPolarHBondContact O-CD1 3.41Å; G613-Q694 PolarHBondContact O-N 3.41Å; G613-A695 PolarHBondContact O-N 3.48Å
614	I	95.4	Very high	90.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128	168.3	-57.2	176.6	0	0	0	107.6	L602 L610 I616 W649 R676 V677 L678 A695 I697	L602-I614 HydrophobicContact CD2-CD1 4.01Å; L602-I614 HydrophobicContact CD2-CG2 4.08Å; L610-I614 HydrophobicContact CD1-CD1 4.41Å; L610-I614 HydrophobicContact CD1-CG1 4.37Å; I614-I616 HydrophobicContact CG2-CG1 4.32Å; I614-W649 HydrophobicContact CD1-CH2 4.34Å; I614-W649 HydrophobicContact CD1-CZ3 4.04Å; I614-R676 PolarHBondContact N-O 2.99Å; I614-V677 HydrophobicContact CB-CG2 4.29Å; I614-V677 HydrophobicContact CD1-CG2 4.42Å; I614-V677 WeakPolarHBondContact O-CA 3.19Å; I614-L678 PolarHBondContact O-N 3.4Å; I614-A695 HydrophobicContact CG1-CB 4.28Å; I614-A695 HydrophobicContact CG2-CB 4.26Å; I614-I697 HydrophobicContact CG2-CD1 3.81Å
615	L	95.4	Very high	91	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	133.1	176.4	176.9	59.8	0	0	0	109.9	Y617 F670 L678 A680 F684 L688 L693 A695 V696 I697	L615-Y617 HydrophobicContact CD2-CE1 4.15Å; L615-Y617 HydrophobicContact CD2-CE2 3.89Å; L615-Y617 WeakPolarHBondContact CD2-OH 3.35Å; L615-Y617 HydrophobicContact CG-CE1 4.42Å; L615-Y617 HydrophobicContact CG-CE2 4.1Å; L615-F670 HydrophobicContact CB-CZ 4.43Å; L615-L678 CarbonylContact C-O 3.32Å; L615-L678 WeakPolarHBondContact CA-O 3.38Å; L615-L678 HydrophobicContact CD1-CB 4.36Å; L615-L678 HydrophobicContact CD1-CD2 4.37Å; L615-L678 HydrophobicContact CD1-CG 4.49Å; L615-A680 HydrophobicContact CD1-CB 4.27Å; L615-F684 HydrophobicContact CD1-CD1 3.81Å; L615-F684 HydrophobicContact CD1-CE1 4.24Å; L615-F684 HydrophobicContact CD2-CD1 4.3Å; L615-L688 HydrophobicContact CD2-CD2 3.66Å; L615-L693 HydrophobicContact CB-CD1 4.05Å; L615-A695 PolarHBondContact N-O 2.91Å; L615-V696 HydrophobicContact CB-CG2 4.04Å; L615-V696 HydrophobicContact CD2-CG2 4.27Å; L615-V696 HydrophobicContact CG-CG2 4.42Å; L615-V696 CarbonylContact O-C 3.59Å; L615-V696 VanDerWaalsContact O-CA 3.28Å; L615-V696 WeakPolarHBondContact O-CA 3.33Å; L615-I697 PolarHBondContact O-N 3.44Å
616	I	96.5	Very high	91.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	125.8	-178.9	-49.8	-176.3	0	0	0	108.8	L598 L602 I614 L627 I631 V677 L678 I679 A680 I697 F699	L598-I616 HydrophobicContact CD1-CD1 3.97Å; L598-I616 HydrophobicContact CD2-CD1 4.15Å; L602-I616 HydrophobicContact CD1-CD1 4.37Å; I614-I616 HydrophobicContact CG2-CG1 4.32Å; I616-L627 HydrophobicContact CG2-CD2 3.97Å; I616-I631 HydrophobicContact CD1-CD1 4.26Å; I616-V677 HydrophobicContact CD1-CG1 3.5Å; I616-V677 VanDerWaalsContact CD1-CG1 3.5Å; I616-V677 HydrophobicContact CG1-CG1 4.01Å; I616-L678 PolarHBondContact N-O 3.2Å; I616-I679 HydrophobicContact CB-CB 4.36Å; I616-I679 HydrophobicContact CB-CG1 3.83Å; I616-I679 HydrophobicContact CB-CG2 4.4Å; I616-I679 HydrophobicContact CD1-CG1 3.88Å; I616-I679 HydrophobicContact CG1-CG1 4.16Å; I616-I679 HydrophobicContact CG2-CG1 4.42Å; I616-I679 CarbonylContact O-C 3.6Å; I616-I679 WeakPolarHBondContact O-CA 3.45Å; I616-A680 PolarHBondContact O-N 3.02Å; I616-I697 CarbonylContact C-O 3.43Å; I616-I697 VanDerWaalsContact CA-O 3.26Å; I616-I697 WeakPolarHBondContact CA-O 3.36Å; I616-I697 HydrophobicContact CD1-CD1 4.39Å; I616-I697 HydrophobicContact CG1-CB 4.25Å; I616-I697 HydrophobicContact CG1-CD1 4.24Å; I616-I697 HydrophobicContact CG2-CB 4.36Å; I616-I697 HydrophobicContact CG2-CG2 4.44Å; I616-F699 HydrophobicContact CG2-CB 4.09Å
617	Y	95.1	Very high	91.8	Very high	5 Å²	5	40.6 Å²	40.6	2%	0.02	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	128.5	178.7	-69.6	-69.9	0	0	0	112.1	L615 A680 G685 V696 I697 H698 F699 S700 E711 R714	L615-Y617 HydrophobicContact CD2-CE1 4.15Å; L615-Y617 HydrophobicContact CD2-CE2 3.89Å; L615-Y617 WeakPolarHBondContact CD2-OH 3.35Å; L615-Y617 HydrophobicContact CG-CE1 4.42Å; L615-Y617 HydrophobicContact CG-CE2 4.1Å; Y617-A680 WeakPolarHBondContact CA-O 3.45Å; Y617-G685 WeakPolarHBondContact OH-CA 3.38Å; Y617-V696 HydrophobicContact CD2-CG1 3.86Å; Y617-V696 HydrophobicContact CE2-CG1 3.79Å; Y617-V696 HydrophobicContact CE2-CG2 4.2Å; Y617-I697 PolarHBondContact N-O 3.14Å; Y617-H698 AromaticContact CD2-CD2 3.95Å; Y617-H698 AromaticContact CD2-NE2 3.7Å; Y617-F699 WeakPolarHBondContact O-CB 3.21Å; Y617-F699 PolarHBondContact O-N 3.31Å; Y617-S700 PolarHBondContact O-N 2.92Å; Y617-E711 HydrophobicContact CD2-CB 4.21Å; Y617-E711 HydrophobicContact CD2-CG 4.47Å; Y617-E711 HydrophobicContact CE1-CG 4.31Å; Y617-E711 HydrophobicContact CE2-CB 3.6Å; Y617-E711 HydrophobicContact CE2-CG 3.86Å; Y617-R714 PolarHBondContact OH-NE 2.98Å
618	C	92.2	Very high	92.1	Very high	6 Å²	6	40.6 Å²	40.6	4%	0.041	20%	0.196	C	C	.	.			trans	-123.8	153.6	174	-54.9	0	0	0	0	110.7	E623 T624 I679 A680 T681	C618-E623 HydrophobicContact CB-CB 3.8Å; C618-T624 HydrophobicContact CB-CG2 3.89Å; C618-I679 VanDerWaalsContact SG-CG2 3.53Å; C618-A680 PolarHBondContact N-O 2.73Å; C618-T681 WeakPolarHBondContact O-CA 3.24Å
619	A	85.4	Confident	92.4	Very high	53 Å²	53	41.9 Å²	41.9	44%	0.438	21%	0.207	S	C	.	.	S	Bend	trans	-74.8	-38.6	-179.8	0	0	0	0	0	112.5	E623 S700	A619-E623 PolarHBondContact N-OE2 3.29Å; A619-S700 PolarHBondContact N-OG 2.93Å
620	T	86.2	Confident	92.7	Very high	27 Å²	27	38 Å²	38	17%	0.166	19%	0.193	C	C	.	.	S	Bend	trans	-116.7	158.2	-173.6	77.9	0	0	0	0	114.1	E622 E623 T624	T620-E622 VanDerWaalsContact C-N 3.28Å; T620-E622 PolarHBondContact O-N 3.03Å; T620-E623 WeakPolarHBondContact CB-OE1 3.38Å; T620-E623 WeakPolarHBondContact CG2-OE1 3.4Å; T620-E623 PolarHBondContact N-OE2 3.06Å; T620-E623 VanDerWaalsContact OG1-CG 3.29Å; T620-E623 WeakPolarHBondContact OG1-CG 3.29Å; T620-E623 PolarHBondContact OG1-N 3.43Å; T620-E623 PolarHBondContact OG1-OE1 2.83Å; T620-E623 PolarHBondContact OG1-OE2 3.45Å; T620-T624 WeakPolarHBondContact O-CG2 3.5Å; T620-T624 PolarHBondContact O-N 3.05Å
621	R	89.3	Confident	93	Very high	137 Å²	137	37.5 Å²	37.5	52%	0.517	19%	0.191	S	C	.	.	H	α-helix	trans	-66.2	-34.6	177.8	-52.6	-177.5	-176.9	167.7	0.3	111.6	T624 E625 H655	R621-T624 PolarHBondContact O-N 2.81Å; R621-T624 PolarHBondContact O-OG1 3.09Å; R621-E625 PolarHBondContact O-N 2.91Å; R621-H655 HydrophobicContact CB-CB 4.26Å; R621-H655 HydrophobicContact CG-CB 4.03Å
622	E	89	Confident	93.3	Very high	150 Å²	150	39.1 Å²	39.1	70%	0.701	19%	0.19	S	C	*	.	H	α-helix	trans	-67.3	-45.7	-179.9	-70.2	161.7	-160.9	0	0	110.5	T620 T624 E625 H626	T620-E622 VanDerWaalsContact C-N 3.28Å; T620-E622 PolarHBondContact O-N 3.03Å; E622-T624 PolarHBondContact O-N 3.47Å; E622-E625 PolarHBondContact O-N 2.8Å; E622-H626 VanDerWaalsContact O-CB 3.27Å; E622-H626 WeakPolarHBondContact O-CB 3.39Å; E622-H626 PolarHBondContact O-N 3.15Å
623	E	91.3	Very high	93.6	Very high	33 Å²	33	43.9 Å²	43.9	15%	0.154	22%	0.218	C	C	.	.	H	α-helix	trans	-54.4	-48.2	169.5	-70.6	144.8	-140.8	0	0	111.3	C618 A619 T620 E625 H626 L627 S700 Y741	C618-E623 HydrophobicContact CB-CB 3.8Å; A619-E623 PolarHBondContact N-OE2 3.29Å; T620-E623 WeakPolarHBondContact CB-OE1 3.38Å; T620-E623 WeakPolarHBondContact CG2-OE1 3.4Å; T620-E623 PolarHBondContact N-OE2 3.06Å; T620-E623 VanDerWaalsContact OG1-CG 3.29Å; T620-E623 WeakPolarHBondContact OG1-CG 3.29Å; T620-E623 PolarHBondContact OG1-N 3.43Å; T620-E623 PolarHBondContact OG1-OE1 2.83Å; T620-E623 PolarHBondContact OG1-OE2 3.45Å; E623-E625 VanDerWaalsContact C-N 3.35Å; E623-E625 PolarHBondContact O-N 3.25Å; E623-H626 PolarHBondContact O-N 3.16Å; E623-L627 WeakPolarHBondContact O-CB 3.26Å; E623-L627 PolarHBondContact O-N 3.28Å; E623-S700 PolarHBondContact OE2-OG 3.2Å; E623-Y741 PolarHBondContact OE1-OH 2.75Å
624	T	95.2	Very high	93.7	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.2	-39.5	-176.6	61.9	0	0	0	0	114	C618 T620 R621 E622 A628 A653 H655 I679 A680 T681	C618-T624 HydrophobicContact CB-CG2 3.89Å; T620-T624 WeakPolarHBondContact O-CG2 3.5Å; T620-T624 PolarHBondContact O-N 3.05Å; R621-T624 PolarHBondContact O-N 2.81Å; R621-T624 PolarHBondContact O-OG1 3.09Å; E622-T624 PolarHBondContact O-N 3.47Å; T624-A628 WeakPolarHBondContact O-CB 3.05Å; T624-A628 PolarHBondContact O-N 2.76Å; T624-A653 WeakPolarHBondContact O-CB 3.38Å; T624-H655 PolarHBondContact OG1-CD2 2.85Å; T624-I679 HydrophobicContact CG2-CG2 4.11Å; T624-A680 VanDerWaalsContact CG2-C 3.46Å; T624-T681 HydrophobicContact CG2-CG2 3.9Å
625	E	95.2	Very high	93.6	Very high	69 Å²	69	46.4 Å²	46.4	32%	0.322	24%	0.237	S	C	.	.	H	α-helix	trans	-81.5	-34.8	179	-65.9	-72.8	-179.2	0	0	112	R621 E622 E623 S629 A653 H655 Q658	R621-E625 PolarHBondContact O-N 2.91Å; E622-E625 PolarHBondContact O-N 2.8Å; E623-E625 VanDerWaalsContact C-N 3.35Å; E623-E625 PolarHBondContact O-N 3.25Å; E625-S629 WeakPolarHBondContact O-CB 3.07Å; E625-S629 PolarHBondContact O-N 3.28Å; E625-A653 HydrophobicContact CG-CB 4.09Å; E625-A653 WeakPolarHBondContact OE2-CB 3.44Å; E625-H655 WeakPolarHBondContact CG-NE2 3.49Å; E625-H655 IonicContact OE1-CD2 2.72Å; E625-H655 PolarHBondContact OE1-CD2 2.87Å; E625-H655 IonicContact OE1-NE2 3.96Å; E625-H655 PolarHBondContact OE1-NE2 3.17Å; E625-H655 IonicContact OE2-NE2 3.61Å; E625-Q658 PolarHBondContact OE1-NE2 3.44Å
626	H	95.7	Very high	93.2	Very high	108 Å²	108	53 Å²	53	50%	0.5	27%	0.268	S	S	.	.	H	α-helix	trans	-60.3	-56.4	174.3	177.1	74.9	0	0	0	111	E622 E623 A628 S629 Y630	E622-H626 VanDerWaalsContact O-CB 3.27Å; E622-H626 WeakPolarHBondContact O-CB 3.39Å; E622-H626 PolarHBondContact O-N 3.15Å; E623-H626 PolarHBondContact O-N 3.16Å; H626-A628 VanDerWaalsContact C-N 3.3Å; H626-A628 PolarHBondContact O-N 2.99Å; H626-S629 CarbonylContact O-C 3.52Å; H626-S629 WeakPolarHBondContact O-CA 3.29Å; H626-S629 WeakPolarHBondContact O-CB 3.41Å; H626-S629 PolarHBondContact O-N 2.91Å; H626-Y630 PolarHBondContact O-N 3.41Å
627	L	96.5	Very high	92.7	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-61.3	-39.3	-178.7	-156.9	76.8	0	0	0	111.2	D595 L598 I616 E623 S629 Y630 I631 I679 F699	D595-L627 WeakPolarHBondContact OD1-CD1 3.31Å; L598-L627 HydrophobicContact CD2-CD1 3.69Å; L598-L627 HydrophobicContact CD2-CD2 3.56Å; L598-L627 HydrophobicContact CD2-CG 3.72Å; I616-L627 HydrophobicContact CG2-CD2 3.97Å; E623-L627 WeakPolarHBondContact O-CB 3.26Å; E623-L627 PolarHBondContact O-N 3.28Å; L627-S629 VanDerWaalsContact C-N 3.32Å; L627-S629 PolarHBondContact O-N 3.14Å; L627-Y630 PolarHBondContact O-N 3.48Å; L627-I631 HydrophobicContact CG-CD1 4.35Å; L627-I631 WeakPolarHBondContact O-CG1 3.39Å; L627-I631 PolarHBondContact O-N 3.21Å; L627-I679 HydrophobicContact CB-CD1 4.21Å; L627-I679 HydrophobicContact CB-CG2 4.36Å; L627-I679 HydrophobicContact CD2-CD1 4.26Å; L627-I679 HydrophobicContact CD2-CG1 4.21Å; L627-I679 HydrophobicContact CD2-CG2 3.86Å; L627-I679 HydrophobicContact CG-CD1 4.28Å; L627-F699 HydrophobicContact CD1-CD2 4.01Å; L627-F699 HydrophobicContact CD1-CE1 4.5Å; L627-F699 HydrophobicContact CD1-CE2 3.61Å; L627-F699 HydrophobicContact CD1-CZ 3.88Å; L627-F699 HydrophobicContact CD2-CB 4.45Å; L627-F699 HydrophobicContact CD2-CD2 4.13Å; L627-F699 HydrophobicContact CD2-CG 4.17Å
628	A	96.6	Very high	92.3	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-67.9	-31.5	175.6	0	0	0	0	0	112.7	T624 H626 R632 T651 A653 I679	T624-A628 WeakPolarHBondContact O-CB 3.05Å; T624-A628 PolarHBondContact O-N 2.76Å; H626-A628 VanDerWaalsContact C-N 3.3Å; H626-A628 PolarHBondContact O-N 2.99Å; A628-R632 WeakPolarHBondContact O-CB 3.43Å; A628-R632 VanDerWaalsContact O-CG 3.22Å; A628-R632 WeakPolarHBondContact O-CG 3.15Å; A628-R632 PolarHBondContact O-N 3.16Å; A628-R632 PolarHBondContact O-NE 3.15Å; A628-R632 VanDerWaalsContact O-NE 3.15Å; A628-R632 PolarHBondContact O-NH2 3.07Å; A628-T651 HydrophobicContact CB-CG2 4.3Å; A628-A653 HydrophobicContact CB-CB 3.87Å; A628-I679 VanDerWaalsContact CA-CD1 3.41Å; A628-I679 HydrophobicContact CB-CD1 3.72Å
629	S	96.2	Very high	92	Very high	57 Å²	57	67.2 Å²	67.2	40%	0.399	34%	0.342	S	S	.	.	H	α-helix	trans	-73.5	-43.8	172.2	-157.3	0	0	0	0	111.6	E625 H626 L627 R632 T633	E625-S629 WeakPolarHBondContact O-CB 3.07Å; E625-S629 PolarHBondContact O-N 3.28Å; H626-S629 CarbonylContact O-C 3.52Å; H626-S629 WeakPolarHBondContact O-CA 3.29Å; H626-S629 WeakPolarHBondContact O-CB 3.41Å; H626-S629 PolarHBondContact O-N 2.91Å; L627-S629 VanDerWaalsContact C-N 3.32Å; L627-S629 PolarHBondContact O-N 3.14Å; S629-R632 PolarHBondContact O-N 3.16Å; S629-T633 PolarHBondContact O-N 2.9Å; S629-T633 PolarHBondContact O-OG1 3.1Å
630	Y	96.7	Very high	92.1	Very high	72 Å²	72	65.6 Å²	65.6	28%	0.282	33%	0.326	S	S	.	.	H	α-helix	trans	-58.4	-52	179.8	-178.3	-106.4	0	0	0	111.6	D595 L599 H626 L627 R632 T633 A634	D595-Y630 HydrophobicContact CB-CD1 4.31Å; D595-Y630 HydrophobicContact CB-CE1 3.96Å; D595-Y630 WeakPolarHBondContact O-CE1 3.41Å; L599-Y630 HydrophobicContact CB-CE1 4.27Å; L599-Y630 HydrophobicContact CD2-CE1 4.35Å; H626-Y630 PolarHBondContact O-N 3.41Å; L627-Y630 PolarHBondContact O-N 3.48Å; Y630-R632 PolarHBondContact O-N 3.3Å; Y630-T633 PolarHBondContact O-N 3.17Å; Y630-A634 VanDerWaalsContact O-CB 3.29Å; Y630-A634 WeakPolarHBondContact O-CB 3.47Å; Y630-A634 PolarHBondContact O-N 3.02Å
631	I	96	Very high	92	Very high	1 Å²	1	71 Å²	71	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-63.1	-40.1	178	-67.7	166.4	0	0	0	111.6	L598 L602 I616 L627 T633 L635 T651 I679	L598-I631 HydrophobicContact CD2-CD1 3.82Å; L598-I631 HydrophobicContact CG-CD1 4.36Å; L602-I631 HydrophobicContact CD1-CD1 3.76Å; L602-I631 HydrophobicContact CD1-CG1 4.34Å; I616-I631 HydrophobicContact CD1-CD1 4.26Å; L627-I631 HydrophobicContact CG-CD1 4.35Å; L627-I631 WeakPolarHBondContact O-CG1 3.39Å; L627-I631 PolarHBondContact O-N 3.21Å; I631-T633 PolarHBondContact O-N 2.93Å; I631-L635 HydrophobicContact CG2-CD1 3.91Å; I631-L635 HydrophobicContact CG2-CG 4.39Å; I631-L635 WeakPolarHBondContact O-CB 3.23Å; I631-L635 PolarHBondContact O-N 2.91Å; I631-T651 HydrophobicContact CB-CG2 4.19Å; I631-T651 HydrophobicContact CG2-CG2 4.08Å; I631-T651 WeakPolarHBondContact CG2-OG1 3.3Å; I631-I679 HydrophobicContact CD1-CD1 3.95Å
632	R	95.1	Very high	91.6	Very high	96 Å²	96	65.3 Å²	65.3	36%	0.362	33%	0.33	S	S	.	.	H	α-helix	trans	-61.2	-42.9	176.6	-82.2	-173.4	-62.7	-105.5	0.6	112.4	A628 S629 Y630 Q636 T651	A628-R632 WeakPolarHBondContact O-CB 3.43Å; A628-R632 VanDerWaalsContact O-CG 3.22Å; A628-R632 WeakPolarHBondContact O-CG 3.15Å; A628-R632 PolarHBondContact O-N 3.16Å; A628-R632 PolarHBondContact O-NE 3.15Å; A628-R632 VanDerWaalsContact O-NE 3.15Å; A628-R632 PolarHBondContact O-NH2 3.07Å; S629-R632 PolarHBondContact O-N 3.16Å; Y630-R632 PolarHBondContact O-N 3.3Å; R632-Q636 WeakPolarHBondContact O-CA 3.25Å; R632-Q636 WeakPolarHBondContact O-CB 3.29Å; R632-Q636 PolarHBondContact O-N 3.33Å; R632-T651 WeakPolarHBondContact CD-O 3.43Å; R632-T651 PolarHBondContact NH1-O 3.1Å
633	T	94.6	Very high	91.2	Very high	104 Å²	104	61.1 Å²	61.1	64%	0.638	33%	0.327	S	S	*	.	H	α-helix	trans	-71.6	-47.7	178.8	-57.4	0	0	0	0	111.1	S629 Y630 I631 L635	S629-T633 PolarHBondContact O-N 2.9Å; S629-T633 PolarHBondContact O-OG1 3.1Å; Y630-T633 PolarHBondContact O-N 3.17Å; I631-T633 PolarHBondContact O-N 2.93Å; T633-L635 PolarHBondContact O-N 2.65Å
634	A	93.9	Very high	90.6	Very high	46 Å²	46	72 Å²	72	38%	0.38	37%	0.366	S	S	.	.	H	α-helix	trans	-71.7	-26.8	-173.8	0	0	0	0	0	113.9	L599 Y630	L599-A634 HydrophobicContact CD1-CB 3.65Å; L599-A634 HydrophobicContact CD2-CB 3.85Å; L599-A634 HydrophobicContact CG-CB 4.43Å; Y630-A634 VanDerWaalsContact O-CB 3.29Å; Y630-A634 WeakPolarHBondContact O-CB 3.47Å; Y630-A634 PolarHBondContact O-N 3.02Å
635	L	92.7	Very high	90.1	Very high	9 Å²	9	79.8 Å²	79.8	5%	0.047	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	17.9	-179.6	-53.7	-175.4	0	0	0	113.4	L599 T603 I631 T633 D637 K638 W649	L599-L635 HydrophobicContact CD1-CD1 4.01Å; L599-L635 HydrophobicContact CD1-CD2 3.58Å; L599-L635 HydrophobicContact CD1-CG 3.64Å; L599-L635 HydrophobicContact CG-CD2 4.37Å; T603-L635 HydrophobicContact CG2-CD1 4.03Å; T603-L635 HydrophobicContact CG2-CD2 3.47Å; T603-L635 VanDerWaalsContact CG2-CD2 3.47Å; T603-L635 HydrophobicContact CG2-CG 4.45Å; I631-L635 HydrophobicContact CG2-CD1 3.91Å; I631-L635 HydrophobicContact CG2-CG 4.39Å; I631-L635 WeakPolarHBondContact O-CB 3.23Å; I631-L635 PolarHBondContact O-N 2.91Å; T633-L635 PolarHBondContact O-N 2.65Å; L635-D637 VanDerWaalsContact C-N 3.34Å; L635-D637 PolarHBondContact O-N 3.09Å; L635-K638 HydrophobicContact CB-CB 4.48Å; L635-K638 HydrophobicContact CD2-CB 4.5Å; L635-K638 HydrophobicContact CD2-CD 4.22Å; L635-K638 PolarHBondContact O-N 3.24Å; L635-W649 HydrophobicContact CB-CB 3.56Å; L635-W649 HydrophobicContact CB-CG 3.76Å; L635-W649 HydrophobicContact CD1-CB 3.81Å; L635-W649 HydrophobicContact CD1-CD2 3.53Å; L635-W649 HydrophobicContact CD1-CE3 4.05Å; L635-W649 HydrophobicContact CD1-CG 3.41Å; L635-W649 VanDerWaalsContact CD1-CG 3.41Å; L635-W649 HydrophobicContact CG-CB 4.34Å; L635-W649 HydrophobicContact CG-CG 4.19Å
636	Q	87.2	Confident	89.6	Confident	139 Å²	139	86.3 Å²	86.3	65%	0.65	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-48	-173.9	-168.8	179.6	-83	0	0	112.6	R632	R632-Q636 WeakPolarHBondContact O-CA 3.25Å; R632-Q636 WeakPolarHBondContact O-CB 3.29Å; R632-Q636 PolarHBondContact O-N 3.33Å
637	D	86.9	Confident	89	Confident	143 Å²	143	82.8 Å²	82.8	77%	0.765	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-1.8	-175.3	-50.2	-51.5	0	0	0	112.5	L635	L635-D637 VanDerWaalsContact C-N 3.34Å; L635-D637 PolarHBondContact O-N 3.09Å
638	K	86.7	Confident	88.7	Confident	88 Å²	88	85.5 Å²	85.5	38%	0.383	42%	0.421	S	S	.	.			trans	-85.5	121.9	179.7	-171.3	161.8	-178.2	167.4	0	110.9	T603 L635	T603-K638 HydrophobicContact CG2-CD 4.01Å; L635-K638 HydrophobicContact CB-CB 4.48Å; L635-K638 HydrophobicContact CD2-CB 4.5Å; L635-K638 HydrophobicContact CD2-CD 4.22Å; L635-K638 PolarHBondContact O-N 3.24Å
639	V	86.2	Confident	88.5	Confident	78 Å²	78	86 Å²	86	47%	0.473	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	113.3	178.6	-177.8	0	0	0	0	108.8	R646 M647	V639-R646 HydrophobicContact CG1-CB 3.76Å; V639-R646 HydrophobicContact CG1-CG 4.38Å; V639-M647 WeakPolarHBondContact CA-O 3.22Å
640	D	86.9	Confident	88.3	Confident	19 Å²	19	85.9 Å²	85.9	10%	0.102	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	139.1	180	-50.7	-43	0	0	0	110.2	V642 M647 W649 R676	D640-V642 HydrophobicContact CB-CG2 4.17Å; D640-M647 PolarHBondContact N-O 2.74Å; D640-M647 PolarHBondContact O-N 3.18Å; D640-W649 WeakPolarHBondContact OD2-CZ2 3.47Å; D640-W649 PolarHBondContact OD2-NE1 3.37Å; D640-R676 IonicContact OD2-CZ 3.74Å; D640-R676 IonicContact OD2-NH1 2.75Å; D640-R676 PolarHBondContact OD2-NH1 3.26Å; D640-R676 IonicContact OD2-NH2 2.75Å
641	Q	83.5	Confident	88.3	Confident	141 Å²	141	83 Å²	83	66%	0.659	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	102.9	171.2	-175.9	164.4	-20.7	0	0	110.1	G643	Q641-G643 WeakPolarHBondContact CG-O 3.39Å
642	V	81.8	Confident	88.3	Confident	18 Å²	18	83.5 Å²	83.5	11%	0.109	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	89.2	-178.6	-168.9	0	0	0	0	108.8	N608 R609 T611 D640 R644 R645 M647	N608-V642 WeakPolarHBondContact O-CG2 3.48Å; R609-V642 WeakPolarHBondContact O-CG1 3.29Å; T611-V642 HydrophobicContact CG2-CB 4.31Å; T611-V642 HydrophobicContact CG2-CG1 3.42Å; T611-V642 VanDerWaalsContact CG2-CG1 3.42Å; D640-V642 HydrophobicContact CB-CG2 4.17Å; V642-R644 PolarHBondContact O-N 3.46Å; V642-R645 PolarHBondContact N-O 3.07Å; V642-R645 PolarHBondContact O-N 3.33Å; V642-R645 VanDerWaalsContact O-N 3.08Å; V642-M647 HydrophobicContact CB-CG 4.14Å; V642-M647 HydrophobicContact CG2-CB 4.23Å; V642-M647 HydrophobicContact CG2-CG 3.88Å
643	G	80.8	Confident	88.4	Confident	61 Å²	61	79.1 Å²	79.1	63%	0.629	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	-119.8	-171.1	0	0	0	0	0	111.2	Q641	Q641-G643 WeakPolarHBondContact CG-O 3.39Å
644	R	79.4	Confident	88.3	Confident	261 Å²	261	75 Å²	75	99%	0.985	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-2.9	176.2	-62.8	-173.9	-177.1	179.9	1.4	114.1	V642	V642-R644 PolarHBondContact O-N 3.46Å
645	R	83.4	Confident	88.2	Confident	164 Å²	164	74.5 Å²	74.5	62%	0.619	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	134	-177.3	-65.4	-176.9	-179.4	172.1	2.5	111.3	V642 M647	V642-R645 PolarHBondContact N-O 3.07Å; V642-R645 PolarHBondContact O-N 3.33Å; V642-R645 VanDerWaalsContact O-N 3.08Å; R645-M647 HydrophobicContact CB-CG 4.3Å; R645-M647 HydrophobicContact CB-SD 4.16Å
646	R	84.2	Confident	87.7	Confident	207 Å²	207	76.6 Å²	76.6	78%	0.781	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	120.1	164	-75.4	-175.9	175.7	-175	-1.8	108.5	V639	V639-R646 HydrophobicContact CG1-CB 3.76Å; V639-R646 HydrophobicContact CG1-CG 4.38Å
647	M	84.8	Confident	87.6	Confident	34 Å²	34	72 Å²	72	17%	0.167	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	115.3	-173.1	-64.1	-64.2	-68	0	0	110.1	V639 D640 V642 R645	V639-M647 WeakPolarHBondContact CA-O 3.22Å; D640-M647 PolarHBondContact N-O 2.74Å; D640-M647 PolarHBondContact O-N 3.18Å; V642-M647 HydrophobicContact CB-CG 4.14Å; V642-M647 HydrophobicContact CG2-CB 4.23Å; V642-M647 HydrophobicContact CG2-CG 3.88Å; R645-M647 HydrophobicContact CB-CG 4.3Å; R645-M647 HydrophobicContact CB-SD 4.16Å
648	S	89.2	Confident	87.6	Confident	57 Å²	57	66.3 Å²	66.3	40%	0.399	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	154.3	174	57.3	0	0	0	0	112	T650	S648-T650 PolarHBondContact O-N 3.43Å
649	W	92.1	Very high	87.7	Confident	11 Å²	11	66.7 Å²	66.7	4%	0.042	35%	0.348	C	S	.	.			trans	-78.1	52.9	-176.6	-72	100.7	0	0	0	113.7	L602 N608 I614 L635 D640 T651 V677	L602-W649 HydrophobicContact CB-CH2 3.82Å; L602-W649 HydrophobicContact CB-CZ2 4.44Å; L602-W649 HydrophobicContact CB-CZ3 3.93Å; L602-W649 HydrophobicContact CD2-CH2 4.43Å; L602-W649 HydrophobicContact CD2-CZ3 4.06Å; L602-W649 HydrophobicContact CG-CZ3 4.39Å; L602-W649 WeakPolarHBondContact O-CH2 3.37Å; L602-W649 WeakPolarHBondContact O-CZ2 3.18Å; N608-W649 HydrophobicContact CB-CZ2 4.37Å; I614-W649 HydrophobicContact CD1-CH2 4.34Å; I614-W649 HydrophobicContact CD1-CZ3 4.04Å; L635-W649 HydrophobicContact CB-CB 3.56Å; L635-W649 HydrophobicContact CB-CG 3.76Å; L635-W649 HydrophobicContact CD1-CB 3.81Å; L635-W649 HydrophobicContact CD1-CD2 3.53Å; L635-W649 HydrophobicContact CD1-CE3 4.05Å; L635-W649 HydrophobicContact CD1-CG 3.41Å; L635-W649 VanDerWaalsContact CD1-CG 3.41Å; L635-W649 HydrophobicContact CG-CB 4.34Å; L635-W649 HydrophobicContact CG-CG 4.19Å; D640-W649 WeakPolarHBondContact OD2-CZ2 3.47Å; D640-W649 PolarHBondContact OD2-NE1 3.37Å; W649-T651 PolarHBondContact O-N 3.38Å; W649-T651 PolarHBondContact O-OG1 3.2Å; W649-V677 HydrophobicContact CE3-CG2 3.63Å; W649-V677 HydrophobicContact CZ3-CG2 3.68Å
650	T	93.4	Very high	87.6	Confident	54 Å²	54	67.3 Å²	67.3	33%	0.331	35%	0.352	S	S	.	.			trans	-60	107.3	177.5	46.3	0	0	0	0	111.3	S648 I675 R676 V677	S648-T650 PolarHBondContact O-N 3.43Å; T650-I675 WeakPolarHBondContact O-CG2 3.42Å; T650-R676 PolarHBondContact O-N 2.69Å; T650-R676 PolarHBondContact OG1-N 3.04Å; T650-V677 PolarHBondContact O-N 3.49Å; T650-V677 VanDerWaalsContact O-N 3.08Å
651	T	96.5	Very high	87.6	Confident	12 Å²	12	71 Å²	71	7%	0.074	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	134.2	-168.6	-55.9	0	0	0	0	113	A628 I631 R632 W649 V677 I679	A628-T651 HydrophobicContact CB-CG2 4.3Å; I631-T651 HydrophobicContact CB-CG2 4.19Å; I631-T651 HydrophobicContact CG2-CG2 4.08Å; I631-T651 WeakPolarHBondContact CG2-OG1 3.3Å; R632-T651 WeakPolarHBondContact CD-O 3.43Å; R632-T651 PolarHBondContact NH1-O 3.1Å; W649-T651 PolarHBondContact O-N 3.38Å; W649-T651 PolarHBondContact O-OG1 3.2Å; T651-V677 VanDerWaalsContact CA-O 3.29Å; T651-V677 WeakPolarHBondContact CA-O 3.4Å; T651-V677 HydrophobicContact CG2-CB 4.11Å; T651-V677 HydrophobicContact CG2-CG1 4.12Å; T651-I679 HydrophobicContact CG2-CD1 3.57Å
652	A	95.9	Very high	88	Confident	12 Å²	12	67.2 Å²	67.2	10%	0.099	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	159	177.5	0	0	0	0	0	112.5	I666 I675 V677 L678 I679	A652-I666 HydrophobicContact CB-CG2 4.16Å; A652-I675 HydrophobicContact CB-CD1 3.76Å; A652-I675 HydrophobicContact CB-CG1 4.41Å; A652-I675 HydrophobicContact CB-CG2 4.16Å; A652-V677 PolarHBondContact N-O 3.03Å; A652-V677 VanDerWaalsContact N-O 3.15Å; A652-L678 HydrophobicContact CB-CD1 3.96Å; A652-I679 PolarHBondContact O-N 2.98Å
653	A	96	Very high	88.3	Confident	3 Å²	3	69.5 Å²	69.5	3%	0.025	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	148.7	170.2	0	0	0	0	0	110.6	T624 E625 A628 Q658 I666 I679	T624-A653 WeakPolarHBondContact O-CB 3.38Å; E625-A653 HydrophobicContact CG-CB 4.09Å; E625-A653 WeakPolarHBondContact OE2-CB 3.44Å; A628-A653 HydrophobicContact CB-CB 3.87Å; A653-Q658 PolarHBondContact O-NE2 3.18Å; A653-Q658 PolarHBondContact O-OE1 3.36Å; A653-I666 WeakPolarHBondContact O-CD1 2.77Å; A653-I679 CarbonylContact C-O 3.48Å; A653-I679 VanDerWaalsContact CA-O 3.23Å; A653-I679 WeakPolarHBondContact CA-O 3.38Å
654	Y	93.2	Very high	88.5	Confident	18 Å²	18	68.9 Å²	68.9	7%	0.071	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	123	169	-178.5	-75.4	0	0	0	110.6	R663 I666 I679 A680 T681 F684	Y654-R663 HydrophobicContact CD2-CB 4.22Å; Y654-R663 HydrophobicContact CD2-CG 4.13Å; Y654-R663 HydrophobicContact CE2-CB 3.46Å; Y654-R663 VanDerWaalsContact CE2-CB 3.46Å; Y654-R663 HydrophobicContact CE2-CG 3.66Å; Y654-I666 HydrophobicContact CD2-CG2 4.41Å; Y654-I679 PolarHBondContact N-O 3.12Å; Y654-A680 VanDerWaalsContact O-CA 3.23Å; Y654-A680 WeakPolarHBondContact O-CA 3.28Å; Y654-A680 WeakPolarHBondContact O-CB 3.45Å; Y654-T681 PolarHBondContact O-N 2.84Å; Y654-F684 HydrophobicContact CD1-CB 3.56Å; Y654-F684 AromaticContact CD1-CD2 3.59Å; Y654-F684 HydrophobicContact CD1-CD2 3.59Å; Y654-F684 AromaticContact CD1-CG 3.98Å; Y654-F684 HydrophobicContact CD1-CG 3.98Å; Y654-F684 AromaticContact CD2-CD2 3.65Å; Y654-F684 HydrophobicContact CD2-CD2 3.65Å; Y654-F684 HydrophobicContact CD2-CE2 4.05Å; Y654-F684 HydrophobicContact CE1-CB 3.85Å; Y654-F684 AromaticContact CE1-CD2 3.68Å; Y654-F684 HydrophobicContact CE1-CD2 3.68Å; Y654-F684 HydrophobicContact CE1-CG 4.26Å; Y654-F684 AromaticContact CE2-CD2 3.73Å; Y654-F684 HydrophobicContact CE2-CD2 3.73Å; Y654-F684 HydrophobicContact CE2-CE2 4.11Å; Y654-F684 HydrophobicContact CG-CB 4.22Å; Y654-F684 AromaticContact CG-CD2 3.57Å; Y654-F684 HydrophobicContact CG-CD2 3.57Å; Y654-F684 HydrophobicContact CG-CE2 4.34Å; Y654-F684 HydrophobicContact CG-CG 4.19Å; Y654-F684 AromaticContact CZ-CD2 3.74Å
655	H	91	Very high	89.1	Confident	35 Å²	35	62.9 Å²	62.9	16%	0.162	33%	0.331	C	S	.	.			trans	-153.2	160.7	175.1	60.8	90.2	0	0	0	112	R621 T624 E625 G657 Q658 T681	R621-H655 HydrophobicContact CB-CB 4.26Å; R621-H655 HydrophobicContact CG-CB 4.03Å; T624-H655 PolarHBondContact OG1-CD2 2.85Å; E625-H655 WeakPolarHBondContact CG-NE2 3.49Å; E625-H655 IonicContact OE1-CD2 2.72Å; E625-H655 PolarHBondContact OE1-CD2 2.87Å; E625-H655 IonicContact OE1-NE2 3.96Å; E625-H655 PolarHBondContact OE1-NE2 3.17Å; E625-H655 IonicContact OE2-NE2 3.61Å; H655-G657 WeakPolarHBondContact ND1-CA 3.47Å; H655-G657 PolarHBondContact ND1-N 3.3Å; H655-G657 VanDerWaalsContact ND1-N 3.11Å; H655-G657 PolarHBondContact O-N 3.22Å; H655-Q658 PolarHBondContact NE2-NE2 3.09Å; H655-Q658 WeakPolarHBondContact O-CB 3.42Å; H655-Q658 PolarHBondContact O-N 3.09Å; H655-T681 HydrophobicContact CB-CG2 4.42Å
656	A	83.3	Confident	89.6	Confident	53 Å²	53	55.7 Å²	55.7	44%	0.438	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-4.1	-177.6	0	0	0	0	0	115.3
657	G	84.4	Confident	89.8	Confident	42 Å²	42	48.2 Å²	48.2	43%	0.433	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-15.9	169.9	0	0	0	0	0	114.1	H655	H655-G657 WeakPolarHBondContact ND1-CA 3.47Å; H655-G657 PolarHBondContact ND1-N 3.3Å; H655-G657 VanDerWaalsContact ND1-N 3.11Å; H655-G657 PolarHBondContact O-N 3.22Å
658	Q	86.9	Confident	90	Very high	25 Å²	25	54 Å²	54	12%	0.117	30%	0.303	C	S	.	.	S	Bend	trans	-79.3	145.1	178	-64.6	172.8	-9.1	0	0	111.6	E625 A653 H655 R663	E625-Q658 PolarHBondContact OE1-NE2 3.44Å; A653-Q658 PolarHBondContact O-NE2 3.18Å; A653-Q658 PolarHBondContact O-OE1 3.36Å; H655-Q658 PolarHBondContact NE2-NE2 3.09Å; H655-Q658 WeakPolarHBondContact O-CB 3.42Å; H655-Q658 PolarHBondContact O-N 3.09Å; Q658-R663 HydrophobicContact CB-CG 3.71Å; Q658-R663 PolarHBondContact O-NE 2.89Å; Q658-R663 VanDerWaalsContact O-NE 3.08Å
659	T	88.8	Confident	90.2	Very high	96 Å²	96	55.1 Å²	55.1	59%	0.589	30%	0.301	S	S	*	.			trans	-58.7	147.9	177.2	75.7	0	0	0	0	111.2	S661 E662 R663	T659-S661 PolarHBondContact O-N 3.41Å; T659-E662 PolarHBondContact O-N 3.02Å; T659-E662 PolarHBondContact OG1-N 3.2Å; T659-R663 PolarHBondContact O-N 3.01Å
660	T	84.1	Confident	90.3	Very high	91 Å²	91	54.6 Å²	54.6	56%	0.558	30%	0.299	S	S	*	.	H	α-helix	trans	-55	-38.1	179.3	-50.8	0	0	0	0	112.2	E662 R663 S664	T660-E662 PolarHBondContact O-N 3.46Å; T660-R663 PolarHBondContact O-N 3.05Å; T660-R663 PolarHBondContact OG1-NH2 3.26Å; T660-S664 PolarHBondContact O-N 3.24Å; T660-S664 PolarHBondContact O-OG 2.99Å; T660-S664 VanDerWaalsContact O-OG 3.1Å
661	S	87.8	Confident	90.1	Very high	96 Å²	96	55.1 Å²	55.1	67%	0.671	30%	0.298	S	S	*	.	H	α-helix	trans	-63.1	-39.5	176.8	-171.4	0	0	0	0	113.1	T659 R665	T659-S661 PolarHBondContact O-N 3.41Å; S661-R665 WeakPolarHBondContact O-CB 3.38Å; S661-R665 PolarHBondContact O-N 3.42Å; S661-R665 VanDerWaalsContact O-N 3.15Å
662	E	90.7	Very high	89.8	Confident	61 Å²	61	58 Å²	58	29%	0.285	32%	0.319	S	S	.	.	H	α-helix	trans	-77.3	-37.7	179.1	-166.4	60.2	-157.1	0	0	111	T659 T660 S664 R665 I666	T659-E662 PolarHBondContact O-N 3.02Å; T659-E662 PolarHBondContact OG1-N 3.2Å; T660-E662 PolarHBondContact O-N 3.46Å; E662-S664 PolarHBondContact O-N 3.1Å; E662-R665 VanDerWaalsContact CD-NH1 3.31Å; E662-R665 WeakPolarHBondContact O-CB 3.46Å; E662-R665 PolarHBondContact O-N 3.43Å; E662-R665 VanDerWaalsContact O-N 3.1Å; E662-R665 WeakPolarHBondContact OE1-CD 3.16Å; E662-R665 IonicContact OE1-CZ 3.21Å; E662-R665 IonicContact OE1-NE 3.61Å; E662-R665 IonicContact OE1-NH1 2.67Å; E662-R665 PolarHBondContact OE1-NH1 2.93Å; E662-R665 WeakPolarHBondContact OE2-CD 3.2Å; E662-R665 IonicContact OE2-CZ 2.73Å; E662-R665 IonicContact OE2-NE 3.8Å; E662-R665 IonicContact OE2-NH1 2.74Å; E662-R665 PolarHBondContact OE2-NH1 3.14Å; E662-I666 HydrophobicContact CG-CD1 3.94Å; E662-I666 HydrophobicContact CG-CG1 4.36Å; E662-I666 WeakPolarHBondContact O-CG1 3.33Å; E662-I666 PolarHBondContact O-N 2.82Å
663	R	88.5	Confident	89.5	Confident	67 Å²	67	59.5 Å²	59.5	25%	0.253	34%	0.336	S	S	.	.	H	α-helix	trans	-55.9	-50.6	171.8	-74.1	-167.1	-68.5	129.9	-1.6	111.7	Y654 Q658 T659 T660 R665 I666 Q667	Y654-R663 HydrophobicContact CD2-CB 4.22Å; Y654-R663 HydrophobicContact CD2-CG 4.13Å; Y654-R663 HydrophobicContact CE2-CB 3.46Å; Y654-R663 VanDerWaalsContact CE2-CB 3.46Å; Y654-R663 HydrophobicContact CE2-CG 3.66Å; Q658-R663 HydrophobicContact CB-CG 3.71Å; Q658-R663 PolarHBondContact O-NE 2.89Å; Q658-R663 VanDerWaalsContact O-NE 3.08Å; T659-R663 PolarHBondContact O-N 3.01Å; T660-R663 PolarHBondContact O-N 3.05Å; T660-R663 PolarHBondContact OG1-NH2 3.26Å; R663-R665 VanDerWaalsContact C-N 3.29Å; R663-R665 PolarHBondContact O-N 3.45Å; R663-I666 PolarHBondContact O-N 3.5Å; R663-Q667 VanDerWaalsContact O-CB 3.3Å; R663-Q667 WeakPolarHBondContact O-CB 3.43Å; R663-Q667 PolarHBondContact O-N 3.22Å
664	S	85.9	Confident	89.4	Confident	48 Å²	48	66.5 Å²	66.5	34%	0.336	37%	0.366	S	S	.	.	H	α-helix	trans	-63.8	-31.1	175.6	-57.6	0	0	0	0	113.3	T660 E662 K668	T660-S664 PolarHBondContact O-N 3.24Å; T660-S664 PolarHBondContact O-OG 2.99Å; T660-S664 VanDerWaalsContact O-OG 3.1Å; E662-S664 PolarHBondContact O-N 3.1Å; S664-K668 WeakPolarHBondContact O-CB 3.09Å; S664-K668 VanDerWaalsContact O-CG 3.23Å; S664-K668 WeakPolarHBondContact O-CG 3.44Å; S664-K668 PolarHBondContact O-N 3.42Å; S664-K668 VanDerWaalsContact O-N 3.07Å
665	R	91.9	Very high	89.4	Confident	134 Å²	134	66.2 Å²	66.2	51%	0.506	37%	0.365	S	S	.	.	H	α-helix	trans	-71.2	-43.5	176.4	-174.6	-164.9	-175.3	-152.2	8.8	111.8	S661 E662 R663 K669	S661-R665 WeakPolarHBondContact O-CB 3.38Å; S661-R665 PolarHBondContact O-N 3.42Å; S661-R665 VanDerWaalsContact O-N 3.15Å; E662-R665 VanDerWaalsContact CD-NH1 3.31Å; E662-R665 WeakPolarHBondContact O-CB 3.46Å; E662-R665 PolarHBondContact O-N 3.43Å; E662-R665 VanDerWaalsContact O-N 3.1Å; E662-R665 WeakPolarHBondContact OE1-CD 3.16Å; E662-R665 IonicContact OE1-CZ 3.21Å; E662-R665 IonicContact OE1-NE 3.61Å; E662-R665 IonicContact OE1-NH1 2.67Å; E662-R665 PolarHBondContact OE1-NH1 2.93Å; E662-R665 WeakPolarHBondContact OE2-CD 3.2Å; E662-R665 IonicContact OE2-CZ 2.73Å; E662-R665 IonicContact OE2-NE 3.8Å; E662-R665 IonicContact OE2-NH1 2.74Å; E662-R665 PolarHBondContact OE2-NH1 3.14Å; R663-R665 VanDerWaalsContact C-N 3.29Å; R663-R665 PolarHBondContact O-N 3.45Å; R665-K669 WeakPolarHBondContact O-CG 3.44Å; R665-K669 PolarHBondContact O-N 2.93Å; R665-K669 VanDerWaalsContact O-N 3.09Å
666	I	92.2	Very high	89.5	Confident	13 Å²	13	64.8 Å²	64.8	7%	0.067	36%	0.358	C	S	.	.	H	α-helix	trans	-68.3	-46.9	177.9	-69	174.1	0	0	0	110.1	A652 A653 Y654 E662 R663 K668 K669 F670 I675 L678	A652-I666 HydrophobicContact CB-CG2 4.16Å; A653-I666 WeakPolarHBondContact O-CD1 2.77Å; Y654-I666 HydrophobicContact CD2-CG2 4.41Å; E662-I666 HydrophobicContact CG-CD1 3.94Å; E662-I666 HydrophobicContact CG-CG1 4.36Å; E662-I666 WeakPolarHBondContact O-CG1 3.33Å; E662-I666 PolarHBondContact O-N 2.82Å; R663-I666 PolarHBondContact O-N 3.5Å; I666-K668 PolarHBondContact O-N 3.45Å; I666-K669 WeakPolarHBondContact O-CB 3.38Å; I666-K669 PolarHBondContact O-N 3.11Å; I666-F670 PolarHBondContact O-N 3.06Å; I666-I675 HydrophobicContact CG2-CD1 4.16Å; I666-L678 HydrophobicContact CG2-CD1 3.54Å
667	Q	89	Confident	90.2	Very high	51 Å²	51	62.3 Å²	62.3	24%	0.238	34%	0.337	C	S	.	.	H	α-helix	trans	-54	-52.6	173.6	-175.2	-176.3	-0.4	0	0	111.1	R663 K669 F670 M671 F684	R663-Q667 VanDerWaalsContact O-CB 3.3Å; R663-Q667 WeakPolarHBondContact O-CB 3.43Å; R663-Q667 PolarHBondContact O-N 3.22Å; Q667-K669 VanDerWaalsContact C-N 3.31Å; Q667-K669 PolarHBondContact O-N 3.36Å; Q667-F670 PolarHBondContact O-N 2.89Å; Q667-M671 HydrophobicContact CG-CG 4.29Å; Q667-M671 WeakPolarHBondContact O-CB 3.15Å; Q667-M671 WeakPolarHBondContact O-CG 3.24Å; Q667-M671 PolarHBondContact O-N 2.87Å; Q667-F684 HydrophobicContact CB-CE2 4.2Å; Q667-F684 HydrophobicContact CG-CE2 4.1Å
668	K	89.7	Confident	90.7	Very high	155 Å²	155	60.3 Å²	60.3	67%	0.674	32%	0.317	S	S	*	.	H	α-helix	trans	-60.4	-36.1	178.6	-75.1	176.5	-179.8	-174.9	0	113.3	S664 I666 S672	S664-K668 WeakPolarHBondContact O-CB 3.09Å; S664-K668 VanDerWaalsContact O-CG 3.23Å; S664-K668 WeakPolarHBondContact O-CG 3.44Å; S664-K668 PolarHBondContact O-N 3.42Å; S664-K668 VanDerWaalsContact O-N 3.07Å; I666-K668 PolarHBondContact O-N 3.45Å; K668-S672 WeakPolarHBondContact O-CB 3.35Å; K668-S672 PolarHBondContact O-N 2.01Å; K668-S672 VanDerWaalsContact O-N 3.1Å; K668-S672 PolarHBondContact O-OG 3.09Å
669	K	93.8	Very high	91.2	Very high	81 Å²	81	59.1 Å²	59.1	35%	0.352	31%	0.311	S	S	.	.	H	α-helix	trans	-66.5	-45.2	173.7	-78.5	177.9	174.9	-175.4	0	112.5	R665 I666 Q667 S672 G673 K674 I675	R665-K669 WeakPolarHBondContact O-CG 3.44Å; R665-K669 PolarHBondContact O-N 2.93Å; R665-K669 VanDerWaalsContact O-N 3.09Å; I666-K669 WeakPolarHBondContact O-CB 3.38Å; I666-K669 PolarHBondContact O-N 3.11Å; Q667-K669 VanDerWaalsContact C-N 3.31Å; Q667-K669 PolarHBondContact O-N 3.36Å; K669-S672 CarbonylContact O-C 3.57Å; K669-S672 PolarHBondContact O-N 2.97Å; K669-S672 PolarHBondContact O-OG 2.78Å; K669-G673 PolarHBondContact O-N 3.5Å; K669-K674 HydrophobicContact CB-CB 4.27Å; K669-K674 HydrophobicContact CG-CB 4.49Å; K669-K674 PolarHBondContact O-N 2.99Å; K669-I675 HydrophobicContact CB-CD1 3.45Å; K669-I675 VanDerWaalsContact CB-CD1 3.45Å; K669-I675 HydrophobicContact CB-CG1 3.89Å; K669-I675 HydrophobicContact CD-CD1 3.94Å; K669-I675 HydrophobicContact CD-CG1 4.4Å; K669-I675 HydrophobicContact CG-CD1 4.39Å
670	F	92.7	Very high	91.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-67	-44.7	179	-179.7	-111.5	0	0	0	112.2	L615 I666 Q667 S672 G673 I675 L678 F684 L688 K690 L693	L615-F670 HydrophobicContact CB-CZ 4.43Å; I666-F670 PolarHBondContact O-N 3.06Å; Q667-F670 PolarHBondContact O-N 2.89Å; F670-S672 VanDerWaalsContact C-N 3.31Å; F670-S672 PolarHBondContact O-N 3.14Å; F670-G673 PolarHBondContact O-N 2.67Å; F670-I675 HydrophobicContact CB-CB 4.35Å; F670-I675 HydrophobicContact CD2-CB 4.33Å; F670-I675 HydrophobicContact CD2-CG2 4.12Å; F670-I675 WeakPolarHBondContact CD2-O 3.23Å; F670-L678 HydrophobicContact CB-CD2 4.26Å; F670-L678 HydrophobicContact CD1-CB 4.49Å; F670-L678 HydrophobicContact CD1-CD2 3.87Å; F670-L678 HydrophobicContact CD2-CB 3.58Å; F670-L678 HydrophobicContact CD2-CD2 4.31Å; F670-L678 HydrophobicContact CE1-CB 4.5Å; F670-L678 HydrophobicContact CE1-CD2 4.23Å; F670-L678 HydrophobicContact CE2-CB 3.59Å; F670-L678 HydrophobicContact CG-CB 4.05Å; F670-L678 HydrophobicContact CG-CD2 3.89Å; F670-L678 HydrophobicContact CZ-CB 4.07Å; F670-F684 AromaticContact CD1-CE1 3.96Å; F670-F684 HydrophobicContact CD1-CE1 3.96Å; F670-F684 AromaticContact CD1-CZ 3.83Å; F670-F684 HydrophobicContact CD1-CZ 3.83Å; F670-F684 AromaticContact CE1-CE1 3.93Å; F670-F684 HydrophobicContact CE1-CE1 3.93Å; F670-F684 HydrophobicContact CE1-CZ 4.28Å; F670-L688 HydrophobicContact CE1-CD1 4.34Å; F670-L688 HydrophobicContact CE1-CD2 4.41Å; F670-K690 HydrophobicContact CD1-CD 3.93Å; F670-K690 HydrophobicContact CE1-CD 3.65Å; F670-K690 HydrophobicContact CZ-CD 4.06Å; F670-K690 VanDerWaalsContact O-CE 3.24Å; F670-K690 WeakPolarHBondContact O-CE 3.48Å; F670-K690 PolarHBondContact O-NZ 3.29Å; F670-K690 VanDerWaalsContact O-NZ 3.13Å; F670-L693 HydrophobicContact CE1-CD1 4.22Å; F670-L693 HydrophobicContact CZ-CD1 3.74Å
671	M	89.7	Confident	91.7	Very high	65 Å²	65	51 Å²	51	32%	0.32	26%	0.261	S	S	.	.	H	α-helix	trans	-55.8	-47.4	173.7	-65.2	-68	-75.8	0	0	110.7	Q667 G673 L688 N689 K690	Q667-M671 HydrophobicContact CG-CG 4.29Å; Q667-M671 WeakPolarHBondContact O-CB 3.15Å; Q667-M671 WeakPolarHBondContact O-CG 3.24Å; Q667-M671 PolarHBondContact O-N 2.87Å; M671-G673 PolarHBondContact O-N 2.95Å; M671-L688 HydrophobicContact SD-CD1 3.77Å; M671-N689 VanDerWaalsContact CE-O 3.29Å; M671-N689 WeakPolarHBondContact CE-O 3.09Å; M671-K690 PolarHBondContact O-NZ 3.4Å; M671-K690 HydrophobicContact SD-CB 3.9Å; M671-K690 HydrophobicContact SD-CG 4.49Å
672	S	90.7	Very high	91.3	Very high	72 Å²	72	49.8 Å²	49.8	50%	0.503	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	11	176.5	62.7	0	0	0	0	116	K668 K669 F670 K674	K668-S672 WeakPolarHBondContact O-CB 3.35Å; K668-S672 PolarHBondContact O-N 2.01Å; K668-S672 VanDerWaalsContact O-N 3.1Å; K668-S672 PolarHBondContact O-OG 3.09Å; K669-S672 CarbonylContact O-C 3.57Å; K669-S672 PolarHBondContact O-N 2.97Å; K669-S672 PolarHBondContact O-OG 2.78Å; F670-S672 VanDerWaalsContact C-N 3.31Å; F670-S672 PolarHBondContact O-N 3.14Å; S672-K674 PolarHBondContact O-N 3.42Å
673	G	90.3	Very high	90.3	Very high	44 Å²	44	48.6 Å²	48.6	45%	0.454	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	11.4	176.4	0	0	0	0	0	115.4	K669 F670 M671 I675	K669-G673 PolarHBondContact O-N 3.5Å; F670-G673 PolarHBondContact O-N 2.67Å; M671-G673 PolarHBondContact O-N 2.95Å; G673-I675 PolarHBondContact O-N 3.49Å
674	K	92	Very high	89.6	Confident	150 Å²	150	45.8 Å²	45.8	65%	0.652	24%	0.243	S	C	*	.	S	Bend	trans	-82.5	-1.3	177.2	-63.1	-179.4	-179.4	-179.6	0	113.5	K669 S672	K669-K674 HydrophobicContact CB-CB 4.27Å; K669-K674 HydrophobicContact CG-CB 4.49Å; K669-K674 PolarHBondContact O-N 2.99Å; S672-K674 PolarHBondContact O-N 3.42Å
675	I	94.3	Very high	88.3	Confident	11 Å²	11	43.5 Å²	43.5	6%	0.056	23%	0.227	C	C	.	.			trans	-132.8	119	169.9	-68.5	165.9	0	0	0	104.7	T650 A652 I666 K669 F670 G673 V677 L678	T650-I675 WeakPolarHBondContact O-CG2 3.42Å; A652-I675 HydrophobicContact CB-CD1 3.76Å; A652-I675 HydrophobicContact CB-CG1 4.41Å; A652-I675 HydrophobicContact CB-CG2 4.16Å; I666-I675 HydrophobicContact CG2-CD1 4.16Å; K669-I675 HydrophobicContact CB-CD1 3.45Å; K669-I675 VanDerWaalsContact CB-CD1 3.45Å; K669-I675 HydrophobicContact CB-CG1 3.89Å; K669-I675 HydrophobicContact CD-CD1 3.94Å; K669-I675 HydrophobicContact CD-CG1 4.4Å; K669-I675 HydrophobicContact CG-CD1 4.39Å; F670-I675 HydrophobicContact CB-CB 4.35Å; F670-I675 HydrophobicContact CD2-CB 4.33Å; F670-I675 HydrophobicContact CD2-CG2 4.12Å; F670-I675 WeakPolarHBondContact CD2-O 3.23Å; G673-I675 PolarHBondContact O-N 3.49Å; I675-V677 WeakPolarHBondContact CG2-O 3.48Å; I675-L678 HydrophobicContact CG2-CB 4.47Å
676	R	93.8	Very high	87	Confident	6 Å²	6	41.7 Å²	41.7	2%	0.023	23%	0.225	C	C	.	.	S	Bend	trans	-76.3	-45.1	177.8	-171.8	-176.3	-169.8	-174.7	4.6	111	N608 L610 I614 D640 T650	N608-R676 PolarHBondContact O-NH2 2.92Å; L610-R676 PolarHBondContact O-NH2 3.07Å; I614-R676 PolarHBondContact N-O 2.99Å; D640-R676 IonicContact OD2-CZ 3.74Å; D640-R676 IonicContact OD2-NH1 2.75Å; D640-R676 PolarHBondContact OD2-NH1 3.26Å; D640-R676 IonicContact OD2-NH2 2.75Å; T650-R676 PolarHBondContact O-N 2.69Å; T650-R676 PolarHBondContact OG1-N 3.04Å
677	V	96.3	Very high	85.6	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122.1	-177.2	-175.8	0	0	0	0	109.6	I614 I616 W649 T650 T651 A652 I675 I679	I614-V677 HydrophobicContact CB-CG2 4.29Å; I614-V677 HydrophobicContact CD1-CG2 4.42Å; I614-V677 WeakPolarHBondContact O-CA 3.19Å; I616-V677 HydrophobicContact CD1-CG1 3.5Å; I616-V677 VanDerWaalsContact CD1-CG1 3.5Å; I616-V677 HydrophobicContact CG1-CG1 4.01Å; W649-V677 HydrophobicContact CE3-CG2 3.63Å; W649-V677 HydrophobicContact CZ3-CG2 3.68Å; T650-V677 PolarHBondContact O-N 3.49Å; T650-V677 VanDerWaalsContact O-N 3.08Å; T651-V677 VanDerWaalsContact CA-O 3.29Å; T651-V677 WeakPolarHBondContact CA-O 3.4Å; T651-V677 HydrophobicContact CG2-CB 4.11Å; T651-V677 HydrophobicContact CG2-CG1 4.12Å; A652-V677 PolarHBondContact N-O 3.03Å; A652-V677 VanDerWaalsContact N-O 3.15Å; I675-V677 WeakPolarHBondContact CG2-O 3.48Å; V677-I679 HydrophobicContact CG1-CG1 4.31Å
678	L	96.1	Very high	85	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	128.6	170.4	-173.4	71.5	0	0	0	109.4	I614 L615 I616 A652 I666 F670 I675 F684	I614-L678 PolarHBondContact O-N 3.4Å; L615-L678 CarbonylContact C-O 3.32Å; L615-L678 WeakPolarHBondContact CA-O 3.38Å; L615-L678 HydrophobicContact CD1-CB 4.36Å; L615-L678 HydrophobicContact CD1-CD2 4.37Å; L615-L678 HydrophobicContact CD1-CG 4.49Å; I616-L678 PolarHBondContact N-O 3.2Å; A652-L678 HydrophobicContact CB-CD1 3.96Å; I666-L678 HydrophobicContact CG2-CD1 3.54Å; F670-L678 HydrophobicContact CB-CD2 4.26Å; F670-L678 HydrophobicContact CD1-CB 4.49Å; F670-L678 HydrophobicContact CD1-CD2 3.87Å; F670-L678 HydrophobicContact CD2-CB 3.58Å; F670-L678 HydrophobicContact CD2-CD2 4.31Å; F670-L678 HydrophobicContact CE1-CB 4.5Å; F670-L678 HydrophobicContact CE1-CD2 4.23Å; F670-L678 HydrophobicContact CE2-CB 3.59Å; F670-L678 HydrophobicContact CG-CB 4.05Å; F670-L678 HydrophobicContact CG-CD2 3.89Å; F670-L678 HydrophobicContact CZ-CB 4.07Å; I675-L678 HydrophobicContact CG2-CB 4.47Å; L678-F684 HydrophobicContact CD2-CD1 3.63Å; L678-F684 HydrophobicContact CD2-CD2 4.05Å; L678-F684 HydrophobicContact CD2-CE1 3.24Å; L678-F684 HydrophobicContact CD2-CE2 3.71Å; L678-F684 HydrophobicContact CD2-CG 4.03Å; L678-F684 HydrophobicContact CD2-CZ 3.28Å
679	I	97	Very high	84.3	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129.3	175.9	-60.2	145.4	0	0	0	107.6	I616 C618 T624 L627 A628 I631 T651 A652 A653 Y654 V677	I616-I679 HydrophobicContact CB-CB 4.36Å; I616-I679 HydrophobicContact CB-CG1 3.83Å; I616-I679 HydrophobicContact CB-CG2 4.4Å; I616-I679 HydrophobicContact CD1-CG1 3.88Å; I616-I679 HydrophobicContact CG1-CG1 4.16Å; I616-I679 HydrophobicContact CG2-CG1 4.42Å; I616-I679 CarbonylContact O-C 3.6Å; I616-I679 WeakPolarHBondContact O-CA 3.45Å; C618-I679 VanDerWaalsContact SG-CG2 3.53Å; T624-I679 HydrophobicContact CG2-CG2 4.11Å; L627-I679 HydrophobicContact CB-CD1 4.21Å; L627-I679 HydrophobicContact CB-CG2 4.36Å; L627-I679 HydrophobicContact CD2-CD1 4.26Å; L627-I679 HydrophobicContact CD2-CG1 4.21Å; L627-I679 HydrophobicContact CD2-CG2 3.86Å; L627-I679 HydrophobicContact CG-CD1 4.28Å; A628-I679 VanDerWaalsContact CA-CD1 3.41Å; A628-I679 HydrophobicContact CB-CD1 3.72Å; I631-I679 HydrophobicContact CD1-CD1 3.95Å; T651-I679 HydrophobicContact CG2-CD1 3.57Å; A652-I679 PolarHBondContact O-N 2.98Å; A653-I679 CarbonylContact C-O 3.48Å; A653-I679 VanDerWaalsContact CA-O 3.23Å; A653-I679 WeakPolarHBondContact CA-O 3.38Å; Y654-I679 PolarHBondContact N-O 3.12Å; V677-I679 HydrophobicContact CG1-CG1 4.31Å
680	A	94.3	Very high	83.9	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	161.3	-172.6	0	0	0	0	0	113.2	L615 I616 Y617 C618 T624 Y654 F684	L615-A680 HydrophobicContact CD1-CB 4.27Å; I616-A680 PolarHBondContact O-N 3.02Å; Y617-A680 WeakPolarHBondContact CA-O 3.45Å; C618-A680 PolarHBondContact N-O 2.73Å; T624-A680 VanDerWaalsContact CG2-C 3.46Å; Y654-A680 VanDerWaalsContact O-CA 3.23Å; Y654-A680 WeakPolarHBondContact O-CA 3.28Å; Y654-A680 WeakPolarHBondContact O-CB 3.45Å; A680-F684 HydrophobicContact CB-CB 3.46Å; A680-F684 VanDerWaalsContact CB-CB 3.46Å; A680-F684 HydrophobicContact CB-CD1 4.44Å; A680-F684 HydrophobicContact CB-CG 4.12Å
681	T	90.1	Very high	83.4	Confident	16 Å²	16	34.6 Å²	34.6	10%	0.098	21%	0.207	C	C	.	.			trans	-81.6	164	157.6	71.3	0	0	0	0	109.6	C618 T624 Y654 H655 A683 F684	C618-T681 WeakPolarHBondContact O-CA 3.24Å; T624-T681 HydrophobicContact CG2-CG2 3.9Å; Y654-T681 PolarHBondContact O-N 2.84Å; H655-T681 HydrophobicContact CB-CG2 4.42Å; T681-A683 PolarHBondContact O-N 3.33Å; T681-F684 PolarHBondContact O-N 3.16Å
682	C	79.2	Confident	83.4	Confident	71 Å²	71	33.9 Å²	33.9	48%	0.48	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-47.9	-24.1	177.9	57.6	0	0	0	0	114.6	F684 G685 E711	C682-F684 PolarHBondContact O-N 3.1Å; C682-G685 PolarHBondContact O-N 2.73Å; C682-E711 WeakPolarHBondContact CA-OE1 3.36Å; C682-E711 WeakPolarHBondContact CB-OE1 3.48Å
683	A	69.4	Low	83.4	Confident	37 Å²	37	30.4 Å²	30.4	31%	0.306	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-60.4	-6.6	171.8	0	0	0	0	0	115.9	T681	T681-A683 PolarHBondContact O-N 3.33Å
684	F	73.4	Confident	83.5	Confident	8 Å²	8	29.8 Å²	29.8	4%	0.035	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-93.3	-32.7	164.6	-173.6	-105.4	0	0	0	113.6	L615 Y654 Q667 F670 L678 A680 T681 C682 M686 L688	L615-F684 HydrophobicContact CD1-CD1 3.81Å; L615-F684 HydrophobicContact CD1-CE1 4.24Å; L615-F684 HydrophobicContact CD2-CD1 4.3Å; Y654-F684 HydrophobicContact CD1-CB 3.56Å; Y654-F684 AromaticContact CD1-CD2 3.59Å; Y654-F684 HydrophobicContact CD1-CD2 3.59Å; Y654-F684 AromaticContact CD1-CG 3.98Å; Y654-F684 HydrophobicContact CD1-CG 3.98Å; Y654-F684 AromaticContact CD2-CD2 3.65Å; Y654-F684 HydrophobicContact CD2-CD2 3.65Å; Y654-F684 HydrophobicContact CD2-CE2 4.05Å; Y654-F684 HydrophobicContact CE1-CB 3.85Å; Y654-F684 AromaticContact CE1-CD2 3.68Å; Y654-F684 HydrophobicContact CE1-CD2 3.68Å; Y654-F684 HydrophobicContact CE1-CG 4.26Å; Y654-F684 AromaticContact CE2-CD2 3.73Å; Y654-F684 HydrophobicContact CE2-CD2 3.73Å; Y654-F684 HydrophobicContact CE2-CE2 4.11Å; Y654-F684 HydrophobicContact CG-CB 4.22Å; Y654-F684 AromaticContact CG-CD2 3.57Å; Y654-F684 HydrophobicContact CG-CD2 3.57Å; Y654-F684 HydrophobicContact CG-CE2 4.34Å; Y654-F684 HydrophobicContact CG-CG 4.19Å; Y654-F684 AromaticContact CZ-CD2 3.74Å; Q667-F684 HydrophobicContact CB-CE2 4.2Å; Q667-F684 HydrophobicContact CG-CE2 4.1Å; F670-F684 AromaticContact CD1-CE1 3.96Å; F670-F684 HydrophobicContact CD1-CE1 3.96Å; F670-F684 AromaticContact CD1-CZ 3.83Å; F670-F684 HydrophobicContact CD1-CZ 3.83Å; F670-F684 AromaticContact CE1-CE1 3.93Å; F670-F684 HydrophobicContact CE1-CE1 3.93Å; F670-F684 HydrophobicContact CE1-CZ 4.28Å; L678-F684 HydrophobicContact CD2-CD1 3.63Å; L678-F684 HydrophobicContact CD2-CD2 4.05Å; L678-F684 HydrophobicContact CD2-CE1 3.24Å; L678-F684 HydrophobicContact CD2-CE2 3.71Å; L678-F684 HydrophobicContact CD2-CG 4.03Å; L678-F684 HydrophobicContact CD2-CZ 3.28Å; A680-F684 HydrophobicContact CB-CB 3.46Å; A680-F684 VanDerWaalsContact CB-CB 3.46Å; A680-F684 HydrophobicContact CB-CD1 4.44Å; A680-F684 HydrophobicContact CB-CG 4.12Å; T681-F684 PolarHBondContact O-N 3.16Å; C682-F684 PolarHBondContact O-N 3.1Å; F684-M686 VanDerWaalsContact C-N 3.29Å; F684-M686 PolarHBondContact O-N 3.05Å; F684-L688 HydrophobicContact CD1-CD2 4.21Å; F684-L688 HydrophobicContact CE1-CD1 3.63Å; F684-L688 HydrophobicContact CE1-CD2 3.71Å; F684-L688 HydrophobicContact CE1-CG 4.17Å; F684-L688 HydrophobicContact CZ-CD1 3.76Å
685	G	58.3	Low	83.6	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-39.1	-176.3	0	0	0	0	0	111.9	Y617 C682 G687 L688 R714	Y617-G685 WeakPolarHBondContact OH-CA 3.38Å; C682-G685 PolarHBondContact O-N 2.73Å; G685-G687 PolarHBondContact O-N 3.06Å; G685-L688 WeakPolarHBondContact O-CB 3.31Å; G685-L688 PolarHBondContact O-N 3.12Å; G685-R714 PolarHBondContact O-NE 2.72Å; G685-R714 PolarHBondContact O-NH1 3.33Å
686	M	64.9	Low	83.7	Confident	96 Å²	96	22.1 Å²	22.1	47%	0.473	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	98.4	-179.8	-62.1	-164.8	-55.3	0	0	113	L426 S428 F684	L426-M686 HydrophobicContact CD1-CB 3.86Å; L426-M686 HydrophobicContact CD2-CB 3.85Å; L426-M686 HydrophobicContact CD2-CE 4.18Å; L426-M686 HydrophobicContact CD2-CG 4.25Å; L426-M686 HydrophobicContact CD2-SD 3.72Å; L426-M686 HydrophobicContact CG-CB 4.49Å; S428-M686 PolarHBondContact OG-O 3.15Å; F684-M686 VanDerWaalsContact C-N 3.29Å; F684-M686 PolarHBondContact O-N 3.05Å
687	G	62.8	Low	83.8	Confident	11 Å²	11	21.8 Å²	21.8	11%	0.113	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.4	-9.4	-179.4	0	0	0	0	0	115.4	G685 N689	G685-G687 PolarHBondContact O-N 3.06Å; G687-N689 PolarHBondContact O-N 3.27Å
688	L	75.9	Confident	83.7	Confident	8 Å²	8	21.9 Å²	21.9	4%	0.042	13%	0.131	C	C	.	.			trans	-59.6	119.7	-173.9	179	63.4	0	0	0	113.2	L615 F670 M671 F684 G685 K690 L693 R717	L615-L688 HydrophobicContact CD2-CD2 3.66Å; F670-L688 HydrophobicContact CE1-CD1 4.34Å; F670-L688 HydrophobicContact CE1-CD2 4.41Å; M671-L688 HydrophobicContact SD-CD1 3.77Å; F684-L688 HydrophobicContact CD1-CD2 4.21Å; F684-L688 HydrophobicContact CE1-CD1 3.63Å; F684-L688 HydrophobicContact CE1-CD2 3.71Å; F684-L688 HydrophobicContact CE1-CG 4.17Å; F684-L688 HydrophobicContact CZ-CD1 3.76Å; G685-L688 WeakPolarHBondContact O-CB 3.31Å; G685-L688 PolarHBondContact O-N 3.12Å; L688-K690 HydrophobicContact CD1-CB 4.15Å; L688-K690 HydrophobicContact CG-CB 4.49Å; L688-L693 HydrophobicContact CD2-CD2 4.17Å; L688-R717 PolarHBondContact O-NH2 3.22Å
689	N	76.3	Confident	83.6	Confident	68 Å²	68	23 Å²	23	36%	0.364	14%	0.136	S	C	.	.			trans	-120.1	57.9	178.6	-164.2	10.6	0	0	0	113.8	M671 G687 R717	M671-N689 VanDerWaalsContact CE-O 3.29Å; M671-N689 WeakPolarHBondContact CE-O 3.09Å; G687-N689 PolarHBondContact O-N 3.27Å; N689-R717 PolarHBondContact OD1-NH1 3.39Å
690	K	84.9	Confident	83.2	Confident	4 Å²	4	24.1 Å²	24.1	2%	0.017	14%	0.144	C	C	.	.			trans	-97	120.4	175.2	-171.3	167	174.3	55.5	0	110.3	F670 M671 L688 D692 L693	F670-K690 HydrophobicContact CD1-CD 3.93Å; F670-K690 HydrophobicContact CE1-CD 3.65Å; F670-K690 HydrophobicContact CZ-CD 4.06Å; F670-K690 VanDerWaalsContact O-CE 3.24Å; F670-K690 WeakPolarHBondContact O-CE 3.48Å; F670-K690 PolarHBondContact O-NZ 3.29Å; F670-K690 VanDerWaalsContact O-NZ 3.13Å; M671-K690 PolarHBondContact O-NZ 3.4Å; M671-K690 HydrophobicContact SD-CB 3.9Å; M671-K690 HydrophobicContact SD-CG 4.49Å; L688-K690 HydrophobicContact CD1-CB 4.15Å; L688-K690 HydrophobicContact CG-CB 4.49Å; K690-D692 WeakPolarHBondContact CE-OD1 3.49Å; K690-D692 WeakPolarHBondContact CE-OD2 3.4Å; K690-D692 WeakPolarHBondContact CG-OD1 3.41Å; K690-D692 IonicContact NZ-OD1 2.64Å; K690-D692 PolarHBondContact NZ-OD1 2.91Å; K690-D692 IonicContact NZ-OD2 3.35Å; K690-D692 PolarHBondContact NZ-OD2 3.31Å; K690-L693 HydrophobicContact CB-CB 4.37Å; K690-L693 HydrophobicContact CG-CB 4.43Å
691	S	82.7	Confident	82.9	Confident	60 Å²	60	25.1 Å²	25.1	42%	0.42	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-36.3	-176.7	52	0	0	0	0	113.1	L693	S691-L693 PolarHBondContact O-N 2.84Å
692	D	88	Confident	82.8	Confident	49 Å²	49	25 Å²	25	26%	0.262	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	25.1	175.7	66.9	-53	0	0	0	113.2	G612 G613 K690 Q694	G612-D692 CarbonylContact C-O 3.47Å; G612-D692 WeakPolarHBondContact CA-O 3.46Å; G613-D692 PolarHBondContact N-O 2.98Å; K690-D692 WeakPolarHBondContact CE-OD1 3.49Å; K690-D692 WeakPolarHBondContact CE-OD2 3.4Å; K690-D692 WeakPolarHBondContact CG-OD1 3.41Å; K690-D692 IonicContact NZ-OD1 2.64Å; K690-D692 PolarHBondContact NZ-OD1 2.91Å; K690-D692 IonicContact NZ-OD2 3.35Å; K690-D692 PolarHBondContact NZ-OD2 3.31Å; D692-Q694 PolarHBondContact O-N 3.38Å
693	L	91.6	Very high	83	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	120.1	169.8	-167.5	71.9	0	0	0	108.5	G613 L615 F670 L688 K690 S691 V696 R714 V715 G716 Q720	G613-L693 WeakPolarHBondContact O-CD1 3.41Å; L615-L693 HydrophobicContact CB-CD1 4.05Å; F670-L693 HydrophobicContact CE1-CD1 4.22Å; F670-L693 HydrophobicContact CZ-CD1 3.74Å; L688-L693 HydrophobicContact CD2-CD2 4.17Å; K690-L693 HydrophobicContact CB-CB 4.37Å; K690-L693 HydrophobicContact CG-CB 4.43Å; S691-L693 PolarHBondContact O-N 2.84Å; L693-V696 HydrophobicContact CD2-CG2 4.26Å; L693-R714 HydrophobicContact CD2-CB 3.93Å; L693-V715 HydrophobicContact CD2-CG2 3.93Å; L693-V715 HydrophobicContact CG-CG1 4.4Å; L693-V715 HydrophobicContact CG-CG2 4.25Å; L693-V715 WeakPolarHBondContact O-CG1 3.49Å; L693-G716 PolarHBondContact O-N 2.89Å; L693-Q720 PolarHBondContact O-NE2 2.97Å
694	Q	92.5	Very high	83.7	Confident	30 Å²	30	25.2 Å²	25.2	14%	0.14	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	-17.4	-173.3	-78.8	-175.1	-27.2	0	0	114.5	L610 G613 D692 V715 Q720 S722 Y723	L610-Q694 HydrophobicContact CB-CB 4.45Å; L610-Q694 HydrophobicContact CD1-CB 4.2Å; L610-Q694 HydrophobicContact CD2-CB 4.16Å; L610-Q694 HydrophobicContact CG-CB 4.49Å; G613-Q694 PolarHBondContact O-N 3.41Å; D692-Q694 PolarHBondContact O-N 3.38Å; Q694-V715 WeakPolarHBondContact O-CG1 3.43Å; Q694-Q720 HydrophobicContact CG-CG 4.17Å; Q694-S722 WeakPolarHBondContact O-CA 3.29Å; Q694-Y723 PolarHBondContact O-N 3.15Å
695	A	94.9	Very high	84.4	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	149.2	170.6	0	0	0	0	0	114.1	F607 L610 G613 I614 L615 Y723	F607-A695 HydrophobicContact CD1-CB 4.11Å; F607-A695 HydrophobicContact CE1-CB 3.83Å; L610-A695 HydrophobicContact CD1-CB 3.73Å; G613-A695 PolarHBondContact O-N 3.48Å; I614-A695 HydrophobicContact CG1-CB 4.28Å; I614-A695 HydrophobicContact CG2-CB 4.26Å; L615-A695 PolarHBondContact N-O 2.91Å; A695-Y723 WeakPolarHBondContact CA-O 3.45Å; A695-Y723 WeakPolarHBondContact CB-O 3.35Å
696	V	95	Very high	85.8	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	130.4	166.3	155.4	0	0	0	0	108.9	L615 Y617 L693 H698 I712 V715 Y723 C724 H725	L615-V696 HydrophobicContact CB-CG2 4.04Å; L615-V696 HydrophobicContact CD2-CG2 4.27Å; L615-V696 HydrophobicContact CG-CG2 4.42Å; L615-V696 CarbonylContact O-C 3.59Å; L615-V696 VanDerWaalsContact O-CA 3.28Å; L615-V696 WeakPolarHBondContact O-CA 3.33Å; Y617-V696 HydrophobicContact CD2-CG1 3.86Å; Y617-V696 HydrophobicContact CE2-CG1 3.79Å; Y617-V696 HydrophobicContact CE2-CG2 4.2Å; L693-V696 HydrophobicContact CD2-CG2 4.26Å; V696-H698 WeakPolarHBondContact CG1-CE1 3.19Å; V696-I712 HydrophobicContact CG1-CG2 4.08Å; V696-V715 HydrophobicContact CB-CG2 3.69Å; V696-V715 HydrophobicContact CG2-CG2 3.33Å; V696-Y723 PolarHBondContact N-O 3.47Å; V696-C724 VanDerWaalsContact O-CA 3.32Å; V696-C724 WeakPolarHBondContact O-CA 3.48Å; V696-H725 PolarHBondContact O-N 3.18Å
697	I	96.4	Very high	86.8	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	123.9	-179.1	-58.2	163.3	0	0	0	108.5	L598 L601 L602 F607 I614 L615 I616 Y617 H725 F727	L598-I697 HydrophobicContact CD1-CD1 4.11Å; L598-I697 HydrophobicContact CD1-CG2 4.09Å; L601-I697 HydrophobicContact CD2-CD1 3.76Å; L601-I697 HydrophobicContact CD2-CG1 4.07Å; L601-I697 HydrophobicContact CD2-CG2 4.04Å; L602-I697 HydrophobicContact CD2-CD1 3.78Å; F607-I697 HydrophobicContact CD1-CD1 4.28Å; F607-I697 HydrophobicContact CE1-CD1 4.09Å; F607-I697 HydrophobicContact CE1-CG1 4.18Å; I614-I697 HydrophobicContact CG2-CD1 3.81Å; L615-I697 PolarHBondContact O-N 3.44Å; I616-I697 CarbonylContact C-O 3.43Å; I616-I697 VanDerWaalsContact CA-O 3.26Å; I616-I697 WeakPolarHBondContact CA-O 3.36Å; I616-I697 HydrophobicContact CD1-CD1 4.39Å; I616-I697 HydrophobicContact CG1-CB 4.25Å; I616-I697 HydrophobicContact CG1-CD1 4.24Å; I616-I697 HydrophobicContact CG2-CB 4.36Å; I616-I697 HydrophobicContact CG2-CG2 4.44Å; Y617-I697 PolarHBondContact N-O 3.14Å; I697-H725 CarbonylContact C-O 3.6Å; I697-H725 WeakPolarHBondContact CA-O 3.4Å; I697-H725 HydrophobicContact CG1-CB 4.37Å; I697-H725 HydrophobicContact CG2-CB 4.45Å; I697-F727 HydrophobicContact CG2-CD2 3.99Å; I697-F727 HydrophobicContact CG2-CE2 3.8Å
698	H	95.2	Very high	88.2	Confident	1 Å²	1	21.5 Å²	21.5	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	103.3	173.3	-61.5	85.8	0	0	0	108.6	Y617 V696 Y708 E711 H725 A726 F727	Y617-H698 AromaticContact CD2-CD2 3.95Å; Y617-H698 AromaticContact CD2-NE2 3.7Å; V696-H698 WeakPolarHBondContact CG1-CE1 3.19Å; H698-Y708 AromaticContact CE1-CD2 3.87Å; H698-Y708 AromaticContact CE1-CE2 3.67Å; H698-Y708 AromaticContact ND1-CE2 3.62Å; H698-E711 IonicContact CD2-OE2 2.72Å; H698-E711 IonicContact NE2-OE2 3.79Å; H698-H725 PolarHBondContact N-O 3.37Å; H698-A726 HydrophobicContact CB-CB 4.23Å; H698-F727 PolarHBondContact O-N 2.77Å
699	F	93.7	Very high	88.9	Confident	24 Å²	24	21.2 Å²	21.2	11%	0.105	11%	0.112	C	C	.	.	S	Bend	trans	-77.2	-32	170.8	-175.6	-91.1	0	0	0	110.8	K594 D595 L598 I616 Y617 L627 F727	K594-F699 HydrophobicContact CB-CD2 4.32Å; K594-F699 HydrophobicContact CB-CE2 3.57Å; K594-F699 HydrophobicContact CB-CZ 3.91Å; D595-F699 WeakPolarHBondContact OD1-CZ 3.42Å; L598-F699 HydrophobicContact CD2-CD2 4.18Å; I616-F699 HydrophobicContact CG2-CB 4.09Å; Y617-F699 WeakPolarHBondContact O-CB 3.21Å; Y617-F699 PolarHBondContact O-N 3.31Å; L627-F699 HydrophobicContact CD1-CD2 4.01Å; L627-F699 HydrophobicContact CD1-CE1 4.5Å; L627-F699 HydrophobicContact CD1-CE2 3.61Å; L627-F699 HydrophobicContact CD1-CZ 3.88Å; L627-F699 HydrophobicContact CD2-CB 4.45Å; L627-F699 HydrophobicContact CD2-CD2 4.13Å; L627-F699 HydrophobicContact CD2-CG 4.17Å; F699-F727 HydrophobicContact CD2-CD2 4.5Å
700	S	89	Confident	89.4	Confident	23 Å²	23	18.9 Å²	18.9	16%	0.161	10%	0.099	C	C	.	.	S	Bend	trans	-115.2	140.4	167.5	-47.7	0	0	0	0	109.8	Y617 A619 E623	Y617-S700 PolarHBondContact O-N 2.92Å; A619-S700 PolarHBondContact N-OG 2.93Å; E623-S700 PolarHBondContact OE2-OG 3.2Å
701	L	87.3	Confident	89.6	Confident	22 Å²	22	19.2 Å²	19.2	12%	0.115	10%	0.101	C	C	.	.			trans	-66.4	146	178.5	-171.3	60.7	0	0	0	111.5	I742 L976 T977 L980	L701-I742 HydrophobicContact CB-CD1 4.14Å; L701-I742 HydrophobicContact CD2-CD1 4.28Å; L701-L976 HydrophobicContact CD1-CD2 3.88Å; L701-L976 HydrophobicContact CD1-CG 4.21Å; L701-L976 HydrophobicContact CG-CD2 4.16Å; L701-T977 WeakPolarHBondContact CD2-OG1 3.31Å; L701-L980 HydrophobicContact CD1-CD1 3.72Å
702	T	87.3	Confident	90	Very high	12 Å²	12	16.4 Å²	16.4	7%	0.074	8%	0.081	C	C	.	.			trans	-78.7	169.4	174.7	56.1	0	0	0	0	111.6	Y708 E711 L976	T702-Y708 WeakPolarHBondContact OG1-CB 3.48Å; T702-E711 VanDerWaalsContact CG2-OE2 3.23Å; T702-E711 WeakPolarHBondContact CG2-OE2 3.37Å; T702-L976 VanDerWaalsContact OG1-CD2 3.25Å; T702-L976 WeakPolarHBondContact OG1-CD2 3.28Å
703	K	82.9	Confident	90	Very high	113 Å²	113	14.2 Å²	14.2	49%	0.491	7%	0.07	S	C	.	.	S	Bend	trans	-82.6	-14.8	-175.1	-63	-174.3	179	-174.2	0	115.1	I973	K703-I973 WeakPolarHBondContact O-CG1 3.47Å
704	S	85.4	Confident	89.5	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.075	C	C	.	.	S	Bend	trans	-168.6	166.9	-172.8	74.1	0	0	0	0	111.8	N508 E706 N707 Y708 S972	N508-S704 VanDerWaalsContact ND2-CB 3.31Å; N508-S704 WeakPolarHBondContact ND2-CB 3.24Å; S704-E706 VanDerWaalsContact C-N 3.35Å; S704-E706 WeakPolarHBondContact CB-OE2 3.45Å; S704-E706 PolarHBondContact O-N 2.96Å; S704-E706 PolarHBondContact OG-N 3.22Å; S704-E706 PolarHBondContact OG-OE2 3.17Å; S704-N707 PolarHBondContact O-N 3.02Å; S704-N707 PolarHBondContact OG-N 3.49Å; S704-N707 PolarHBondContact OG-ND2 2.87Å; S704-Y708 PolarHBondContact O-N 3.29Å; S704-S972 WeakPolarHBondContact CB-OG 3.43Å
705	F	86.9	Confident	89.3	Confident	4 Å²	4	14.4 Å²	14.4	2%	0.018	7%	0.07	C	C	.	.	H	α-helix	trans	-60.1	-38.7	172.2	-82.8	-62.8	0	0	0	113.4	Y708 V709 Q975 L976 A979 I1021 I1022 H1025 F1026	F705-Y708 PolarHBondContact O-N 3.29Å; F705-V709 VanDerWaalsContact O-CB 3.27Å; F705-V709 WeakPolarHBondContact O-CB 3.35Å; F705-V709 VanDerWaalsContact O-CG2 3.29Å; F705-V709 WeakPolarHBondContact O-CG2 3.47Å; F705-V709 PolarHBondContact O-N 3.03Å; F705-Q975 HydrophobicContact CD2-CB 4.44Å; F705-Q975 HydrophobicContact CE2-CB 3.8Å; F705-L976 HydrophobicContact CD1-CD1 3.65Å; F705-L976 HydrophobicContact CE1-CD1 3.76Å; F705-L976 HydrophobicContact CG-CD1 4.34Å; F705-A979 HydrophobicContact CE1-CB 4.02Å; F705-A979 HydrophobicContact CZ-CB 3.56Å; F705-I1021 HydrophobicContact CZ-CG2 4.14Å; F705-I1022 HydrophobicContact CD1-CD1 4.34Å; F705-I1022 HydrophobicContact CD1-CG1 3.82Å; F705-I1022 HydrophobicContact CE1-CD1 4.37Å; F705-I1022 HydrophobicContact CE1-CG1 3.69Å; F705-H1025 HydrophobicContact CD2-CB 4.43Å; F705-H1025 AromaticContact CD2-CD2 3.72Å; F705-H1025 AromaticContact CD2-CE1 3.59Å; F705-H1025 AromaticContact CD2-CG 3.69Å; F705-H1025 AromaticContact CD2-ND1 3.6Å; F705-H1025 AromaticContact CD2-NE2 3.66Å; F705-H1025 HydrophobicContact CE2-CB 4.41Å; F705-H1025 AromaticContact CE2-ND1 3.9Å; F705-F1026 HydrophobicContact CB-CE2 4.2Å; F705-F1026 HydrophobicContact CB-CZ 4.3Å
706	E	87.8	Confident	88.7	Confident	14 Å²	14	14.5 Å²	14.5	7%	0.065	7%	0.071	C	C	.	.	H	α-helix	trans	-65.2	-43	178.2	-46.9	88	159.1	0	0	111	N508 H509 T536 S704 Q710 F1026	N508-E706 PolarHBondContact ND2-OE1 2.91Å; N508-E706 VanDerWaalsContact ND2-OE1 3.15Å; N508-E706 PolarHBondContact ND2-OE2 3.39Å; H509-E706 VanDerWaalsContact CE1-C 3.45Å; T536-E706 HydrophobicContact CG2-CB 4.21Å; S704-E706 VanDerWaalsContact C-N 3.35Å; S704-E706 WeakPolarHBondContact CB-OE2 3.45Å; S704-E706 PolarHBondContact O-N 2.96Å; S704-E706 PolarHBondContact OG-N 3.22Å; S704-E706 PolarHBondContact OG-OE2 3.17Å; E706-Q710 VanDerWaalsContact O-CB 3.24Å; E706-Q710 WeakPolarHBondContact O-CB 3.25Å; E706-Q710 WeakPolarHBondContact O-CG 3.47Å; E706-Q710 PolarHBondContact O-N 3.29Å; E706-F1026 HydrophobicContact CG-CE1 4.07Å; E706-F1026 HydrophobicContact CG-CZ 4.02Å
707	N	87.4	Confident	88	Confident	20 Å²	20	17.6 Å²	17.6	11%	0.107	8%	0.083	C	C	.	.	H	α-helix	trans	-59.4	-49.6	174.2	-78.8	-88.4	0	0	0	110.7	H509 S704 Q710 E711	H509-N707 VanDerWaalsContact CE1-CG 3.46Å; H509-N707 PolarHBondContact CE1-N 3.07Å; H509-N707 VanDerWaalsContact CE1-N 3.26Å; H509-N707 PolarHBondContact CE1-ND2 3.21Å; H509-N707 PolarHBondContact NE2-ND2 2.82Å; H509-N707 PolarHBondContact NE2-OD1 3.16Å; S704-N707 PolarHBondContact O-N 3.02Å; S704-N707 PolarHBondContact OG-N 3.49Å; S704-N707 PolarHBondContact OG-ND2 2.87Å; N707-Q710 PolarHBondContact O-N 3.23Å; N707-E711 WeakPolarHBondContact O-CB 3.44Å; N707-E711 WeakPolarHBondContact O-CG 3.42Å; N707-E711 PolarHBondContact O-N 2.93Å
708	Y	91.4	Very high	87.2	Confident	0 Å²	0	23 Å²	23	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-57.2	-53.5	178.6	-172.5	-108.9	0	0	0	112	I586 H698 T702 S704 F705 Q710 E711 I712 L976 L980 I1022	I586-Y708 WeakPolarHBondContact CG2-OH 3.43Å; H698-Y708 AromaticContact CE1-CD2 3.87Å; H698-Y708 AromaticContact CE1-CE2 3.67Å; H698-Y708 AromaticContact ND1-CE2 3.62Å; T702-Y708 WeakPolarHBondContact OG1-CB 3.48Å; S704-Y708 PolarHBondContact O-N 3.29Å; F705-Y708 PolarHBondContact O-N 3.29Å; Y708-Q710 PolarHBondContact O-N 3.08Å; Y708-E711 PolarHBondContact O-N 2.92Å; Y708-I712 HydrophobicContact CD1-CD1 4.09Å; Y708-I712 HydrophobicContact CD1-CG1 4.44Å; Y708-I712 HydrophobicContact CE1-CD1 3.64Å; Y708-I712 HydrophobicContact CE1-CG1 4.33Å; Y708-I712 HydrophobicContact CE1-CG2 4.31Å; Y708-I712 HydrophobicContact CE2-CG2 4.16Å; Y708-I712 WeakPolarHBondContact O-CG1 3.39Å; Y708-I712 PolarHBondContact O-N 3.48Å; Y708-L976 HydrophobicContact CD1-CD1 4.25Å; Y708-L976 HydrophobicContact CD2-CD1 4.47Å; Y708-L976 HydrophobicContact CG-CD1 3.98Å; Y708-L980 HydrophobicContact CD2-CD1 4.45Å; Y708-L980 HydrophobicContact CE1-CD2 4.33Å; Y708-L980 HydrophobicContact CE2-CD1 4.03Å; Y708-I1022 HydrophobicContact CD1-CD1 4.17Å; Y708-I1022 HydrophobicContact CE1-CD1 4.23Å
709	V	90	Very high	86.5	Confident	2 Å²	2	29.3 Å²	29.3	1%	0.012	14%	0.138	C	C	.	.	H	α-helix	trans	-62	-42.1	-179.2	165.3	0	0	0	0	112	T536 P579 L580 F705 E711 G713 I1022 F1026	T536-V709 HydrophobicContact CG2-CB 4.1Å; T536-V709 HydrophobicContact CG2-CG1 3.62Å; P579-V709 HydrophobicContact CB-CG1 3.71Å; P579-V709 HydrophobicContact CG-CG1 3.72Å; P579-V709 HydrophobicContact CG-CG2 4.3Å; L580-V709 HydrophobicContact CD1-CG2 4.3Å; L580-V709 HydrophobicContact CD2-CB 4.31Å; L580-V709 HydrophobicContact CD2-CG1 3.86Å; L580-V709 HydrophobicContact CD2-CG2 4.17Å; L580-V709 HydrophobicContact CG-CG1 4.37Å; L580-V709 HydrophobicContact CG-CG2 4.26Å; F705-V709 VanDerWaalsContact O-CB 3.27Å; F705-V709 WeakPolarHBondContact O-CB 3.35Å; F705-V709 VanDerWaalsContact O-CG2 3.29Å; F705-V709 WeakPolarHBondContact O-CG2 3.47Å; F705-V709 PolarHBondContact O-N 3.03Å; V709-E711 VanDerWaalsContact C-N 3.26Å; V709-E711 PolarHBondContact O-N 2.94Å; V709-G713 WeakPolarHBondContact O-CA 3.44Å; V709-G713 PolarHBondContact O-N 3.18Å; V709-I1022 HydrophobicContact CG2-CD1 4.17Å; V709-I1022 HydrophobicContact CG2-CG2 3.77Å; V709-F1026 HydrophobicContact CG2-CE2 3.96Å
710	Q	87.3	Confident	86.1	Confident	18 Å²	18	29.5 Å²	29.5	8%	0.084	14%	0.139	C	C	.	.	H	α-helix	trans	-66	-27.4	174.8	-72.9	177.1	24.8	0	0	112.6	H501 H509 T536 E706 N707 Y708 R714	H501-Q710 PolarHBondContact CE1-NE2 3.41Å; H501-Q710 PolarHBondContact NE2-NE2 2.95Å; H509-Q710 PolarHBondContact CE1-NE2 2.72Å; H509-Q710 PolarHBondContact CE1-OE1 2.82Å; T536-Q710 HydrophobicContact CG2-CG 4.06Å; T536-Q710 PolarHBondContact OG1-NE2 3.32Å; E706-Q710 VanDerWaalsContact O-CB 3.24Å; E706-Q710 WeakPolarHBondContact O-CB 3.25Å; E706-Q710 WeakPolarHBondContact O-CG 3.47Å; E706-Q710 PolarHBondContact O-N 3.29Å; N707-Q710 PolarHBondContact O-N 3.23Å; Y708-Q710 PolarHBondContact O-N 3.08Å; Q710-R714 VanDerWaalsContact O-CG 3.23Å; Q710-R714 WeakPolarHBondContact O-CG 3.39Å; Q710-R714 PolarHBondContact O-NE 2.98Å; Q710-R714 VanDerWaalsContact O-NE 3.07Å; Q710-R714 PolarHBondContact O-NH2 2.79Å; Q710-R714 VanDerWaalsContact O-NH2 3.08Å
711	E	90.1	Very high	85.9	Confident	12 Å²	12	32.4 Å²	32.4	6%	0.056	16%	0.155	C	C	.	.	H	α-helix	trans	-84.6	-43.2	178.7	-75.2	-170.5	161.1	0	0	113.1	Y617 C682 H698 T702 N707 Y708 V709 R714	Y617-E711 HydrophobicContact CD2-CB 4.21Å; Y617-E711 HydrophobicContact CD2-CG 4.47Å; Y617-E711 HydrophobicContact CE1-CG 4.31Å; Y617-E711 HydrophobicContact CE2-CB 3.6Å; Y617-E711 HydrophobicContact CE2-CG 3.86Å; C682-E711 WeakPolarHBondContact CA-OE1 3.36Å; C682-E711 WeakPolarHBondContact CB-OE1 3.48Å; H698-E711 IonicContact CD2-OE2 2.72Å; H698-E711 IonicContact NE2-OE2 3.79Å; T702-E711 VanDerWaalsContact CG2-OE2 3.23Å; T702-E711 WeakPolarHBondContact CG2-OE2 3.37Å; N707-E711 WeakPolarHBondContact O-CB 3.44Å; N707-E711 WeakPolarHBondContact O-CG 3.42Å; N707-E711 PolarHBondContact O-N 2.93Å; Y708-E711 PolarHBondContact O-N 2.92Å; V709-E711 VanDerWaalsContact C-N 3.26Å; V709-E711 PolarHBondContact O-N 2.94Å; E711-R714 WeakPolarHBondContact O-CG 3.16Å
712	I	90.8	Very high	86.1	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-73.8	-33	173.1	62.6	166.6	0	0	0	113.4	L580 L584 I586 V696 Y708 R714 V715 C724	L580-I712 HydrophobicContact CD1-CD1 3.64Å; L580-I712 HydrophobicContact CD2-CD1 3.56Å; L580-I712 HydrophobicContact CD2-CG1 3.66Å; L580-I712 HydrophobicContact CG-CD1 4.26Å; L584-I712 HydrophobicContact CD1-CD1 4.41Å; I586-I712 HydrophobicContact CD1-CD1 3.85Å; I586-I712 HydrophobicContact CG1-CD1 4.31Å; V696-I712 HydrophobicContact CG1-CG2 4.08Å; Y708-I712 HydrophobicContact CD1-CD1 4.09Å; Y708-I712 HydrophobicContact CD1-CG1 4.44Å; Y708-I712 HydrophobicContact CE1-CD1 3.64Å; Y708-I712 HydrophobicContact CE1-CG1 4.33Å; Y708-I712 HydrophobicContact CE1-CG2 4.31Å; Y708-I712 HydrophobicContact CE2-CG2 4.16Å; Y708-I712 WeakPolarHBondContact O-CG1 3.39Å; Y708-I712 PolarHBondContact O-N 3.48Å; I712-R714 PolarHBondContact O-N 3.4Å; I712-V715 WeakPolarHBondContact O-CG2 3.45Å; I712-V715 PolarHBondContact O-N 2.87Å; I712-V715 VanDerWaalsContact O-N 3.13Å; I712-C724 HydrophobicContact CB-CB 4.29Å; I712-C724 HydrophobicContact CG2-CB 3.83Å
713	G	86.4	Confident	86.4	Confident	4 Å²	4	32.9 Å²	32.9	4%	0.041	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	1.9	179.2	0	0	0	0	0	114.6	T397 V709	T397-G713 VanDerWaalsContact CB-O 3.27Å; T397-G713 WeakPolarHBondContact CB-O 3.27Å; T397-G713 VanDerWaalsContact OG1-C 3.24Å; T397-G713 VanDerWaalsContact OG1-CA 3.27Å; T397-G713 WeakPolarHBondContact OG1-CA 3.28Å; T397-G713 PolarHBondContact OG1-O 3.23Å; V709-G713 WeakPolarHBondContact O-CA 3.44Å; V709-G713 PolarHBondContact O-N 3.18Å
714	R	81.4	Confident	87	Confident	29 Å²	29	27.5 Å²	27.5	11%	0.109	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-22.2	172.9	-54	-172.4	-170.7	-67.7	-14.4	112.5	Y617 G685 L693 Q710 E711 I712 R717	Y617-R714 PolarHBondContact OH-NE 2.98Å; G685-R714 PolarHBondContact O-NE 2.72Å; G685-R714 PolarHBondContact O-NH1 3.33Å; L693-R714 HydrophobicContact CD2-CB 3.93Å; Q710-R714 VanDerWaalsContact O-CG 3.23Å; Q710-R714 WeakPolarHBondContact O-CG 3.39Å; Q710-R714 PolarHBondContact O-NE 2.98Å; Q710-R714 VanDerWaalsContact O-NE 3.07Å; Q710-R714 PolarHBondContact O-NH2 2.79Å; Q710-R714 VanDerWaalsContact O-NH2 3.08Å; E711-R714 WeakPolarHBondContact O-CG 3.16Å; I712-R714 PolarHBondContact O-N 3.4Å; R714-R717 PolarHBondContact O-NE 3.48Å; R714-R717 PolarHBondContact O-NH2 2.83Å
715	V	88.5	Confident	87.4	Confident	4 Å²	4	27.5 Å²	27.5	2%	0.024	13%	0.131	C	C	.	.	S	Bend	trans	-87.1	166	-175.5	-157.2	0	0	0	0	110.4	L584 L693 Q694 V696 I712 R717	L584-V715 HydrophobicContact CD2-CB 4.18Å; L693-V715 HydrophobicContact CD2-CG2 3.93Å; L693-V715 HydrophobicContact CG-CG1 4.4Å; L693-V715 HydrophobicContact CG-CG2 4.25Å; L693-V715 WeakPolarHBondContact O-CG1 3.49Å; Q694-V715 WeakPolarHBondContact O-CG1 3.43Å; V696-V715 HydrophobicContact CB-CG2 3.69Å; V696-V715 HydrophobicContact CG2-CG2 3.33Å; I712-V715 WeakPolarHBondContact O-CG2 3.45Å; I712-V715 PolarHBondContact O-N 2.87Å; I712-V715 VanDerWaalsContact O-N 3.13Å; V715-R717 PolarHBondContact O-N 2.67Å
716	G	82.5	Confident	87.8	Confident	3 Å²	3	27.4 Å²	27.4	3%	0.031	13%	0.131	C	C	.	.			trans	73.9	18.3	167.9	0	0	0	0	0	115.9	H583 L693 Q718 Q719 Q720 S722	H583-G716 PolarHBondContact NE2-O 2.79Å; L693-G716 PolarHBondContact O-N 2.89Å; G716-Q718 PolarHBondContact O-N 3.12Å; G716-Q719 PolarHBondContact O-N 2.76Å; G716-Q720 VanDerWaalsContact CA-OE1 3.3Å; G716-Q720 PolarHBondContact O-OE1 3.09Å; G716-S722 VanDerWaalsContact CA-OG 3.24Å; G716-S722 WeakPolarHBondContact CA-OG 3.26Å; G716-S722 PolarHBondContact N-OG 3.34Å
717	R	80.3	Confident	88	Confident	64 Å²	64	26.9 Å²	26.9	24%	0.242	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-16.6	-173.3	-58.3	-170.1	-167.5	-158.1	0.4	115.1	A398 L688 N689 R714 V715 Q719	A398-R717 HydrophobicContact CB-CG 4.02Å; L688-R717 PolarHBondContact O-NH2 3.22Å; N689-R717 PolarHBondContact OD1-NH1 3.39Å; R714-R717 PolarHBondContact O-NE 3.48Å; R714-R717 PolarHBondContact O-NH2 2.83Å; V715-R717 PolarHBondContact O-N 2.67Å; R717-Q719 VanDerWaalsContact C-N 3.34Å
718	Q	79.8	Confident	88	Confident	115 Å²	115	26 Å²	26	54%	0.537	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	16.8	175.8	-55.3	172.9	-19.7	0	0	111.6	G716 Q720	G716-Q718 PolarHBondContact O-N 3.12Å; Q718-Q720 VanDerWaalsContact CA-OE1 3.3Å; Q718-Q720 VanDerWaalsContact CB-OE1 3.29Å; Q718-Q720 PolarHBondContact O-N 3.21Å
719	Q	81.2	Confident	87.5	Confident	132 Å²	132	26.3 Å²	26.3	62%	0.617	13%	0.126	S	C	*	.	S	Bend	trans	58.1	19.6	-170	-50.6	-63.2	-19.6	0	0	113.5	H583 G716 R717	H583-Q719 PolarHBondContact CE1-OE1 3.27Å; H583-Q719 PolarHBondContact ND1-OE1 2.86Å; G716-Q719 PolarHBondContact O-N 2.76Å; R717-Q719 VanDerWaalsContact C-N 3.34Å
720	Q	84.7	Confident	86.7	Confident	29 Å²	29	28.6 Å²	28.6	14%	0.136	14%	0.142	C	C	.	.			trans	-82.8	136.9	179.9	82.9	-71.6	9.4	0	0	111	H583 L693 Q694 G716 Q718 S722	H583-Q720 PolarHBondContact CD2-O 3.1Å; H583-Q720 VanDerWaalsContact CD2-O 3.26Å; L693-Q720 PolarHBondContact O-NE2 2.97Å; Q694-Q720 HydrophobicContact CG-CG 4.17Å; G716-Q720 VanDerWaalsContact CA-OE1 3.3Å; G716-Q720 PolarHBondContact O-OE1 3.09Å; Q718-Q720 VanDerWaalsContact CA-OE1 3.3Å; Q718-Q720 VanDerWaalsContact CB-OE1 3.29Å; Q718-Q720 PolarHBondContact O-N 3.21Å; Q720-S722 WeakPolarHBondContact O-CB 3.44Å; Q720-S722 PolarHBondContact O-N 3.41Å; Q720-S722 PolarHBondContact O-OG 3.13Å
721	V	85	Confident	85.9	Confident	83 Å²	83	29.2 Å²	29.2	50%	0.503	15%	0.148	S	C	.	.			trans	-48.5	126.1	173.8	-175.8	0	0	0	0	109.6	Y723	V721-Y723 HydrophobicContact CG1-CE1 4.22Å; V721-Y723 HydrophobicContact CG1-CE2 4.25Å; V721-Y723 WeakPolarHBondContact CG1-OH 3.46Å
722	S	91.8	Very high	84.9	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	145	-165.5	-73.9	0	0	0	0	110.7	H583 T585 Q694 G716 Q720	H583-S722 PolarHBondContact O-N 3.08Å; T585-S722 PolarHBondContact N-O 3.21Å; Q694-S722 WeakPolarHBondContact O-CA 3.29Å; G716-S722 VanDerWaalsContact CA-OG 3.24Å; G716-S722 WeakPolarHBondContact CA-OG 3.26Å; G716-S722 PolarHBondContact N-OG 3.34Å; Q720-S722 WeakPolarHBondContact O-CB 3.44Å; Q720-S722 PolarHBondContact O-N 3.41Å; Q720-S722 PolarHBondContact O-OG 3.13Å
723	Y	93.4	Very high	83.6	Confident	45 Å²	45	31 Å²	31	18%	0.176	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	126.7	-164.1	-60.4	-76.8	0	0	0	112.5	T585 P606 F607 L610 Q694 A695 V696 V721	T585-Y723 HydrophobicContact CG2-CD1 4.27Å; T585-Y723 HydrophobicContact CG2-CE1 4.36Å; P606-Y723 HydrophobicContact CB-CD2 4.18Å; P606-Y723 HydrophobicContact CB-CE1 4.32Å; P606-Y723 HydrophobicContact CB-CE2 3.61Å; P606-Y723 HydrophobicContact CG-CD1 3.76Å; P606-Y723 HydrophobicContact CG-CD2 3.73Å; P606-Y723 HydrophobicContact CG-CE1 3.6Å; P606-Y723 HydrophobicContact CG-CE2 3.54Å; P606-Y723 HydrophobicContact CG-CG 3.82Å; P606-Y723 VanDerWaalsContact CG-CZ 3.47Å; F607-Y723 HydrophobicContact CZ-CG 4.48Å; L610-Y723 HydrophobicContact CD1-CD2 4.28Å; L610-Y723 HydrophobicContact CD2-CD2 4.01Å; L610-Y723 HydrophobicContact CD2-CE2 4.06Å; Q694-Y723 PolarHBondContact O-N 3.15Å; A695-Y723 WeakPolarHBondContact CA-O 3.45Å; A695-Y723 WeakPolarHBondContact CB-O 3.35Å; V696-Y723 PolarHBondContact N-O 3.47Å; V721-Y723 HydrophobicContact CG1-CE1 4.22Å; V721-Y723 HydrophobicContact CG1-CE2 4.25Å; V721-Y723 WeakPolarHBondContact CG1-OH 3.46Å
724	C	94.4	Very high	82.6	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	112.2	-178.4	-65.8	0	0	0	0	108.7	T585 I586 S587 V696 I712	T585-C724 PolarHBondContact O-N 2.74Å; I586-C724 CarbonylContact C-O 3.54Å; I586-C724 WeakPolarHBondContact CA-O 3.44Å; I586-C724 HydrophobicContact CG1-CB 4.19Å; S587-C724 PolarHBondContact N-O 3.2Å; V696-C724 VanDerWaalsContact O-CA 3.32Å; V696-C724 WeakPolarHBondContact O-CA 3.48Å; I712-C724 HydrophobicContact CB-CB 4.29Å; I712-C724 HydrophobicContact CG2-CB 3.83Å
725	H	94.9	Very high	82	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	150	-178.3	-165.3	65.9	0	0	0	111.8	S587 S589 L601 F607 V696 I697 H698 F727	S587-H725 CarbonylContact O-C 3.57Å; S587-H725 VanDerWaalsContact O-CA 3.3Å; S587-H725 WeakPolarHBondContact O-CA 3.24Å; S587-H725 PolarHBondContact O-ND1 3.04Å; S587-H725 PolarHBondContact OG-ND1 2.78Å; S589-H725 PolarHBondContact OG-NE2 2.79Å; L601-H725 HydrophobicContact CD2-CB 4.15Å; F607-H725 HydrophobicContact CZ-CB 4.44Å; V696-H725 PolarHBondContact O-N 3.18Å; I697-H725 CarbonylContact C-O 3.6Å; I697-H725 WeakPolarHBondContact CA-O 3.4Å; I697-H725 HydrophobicContact CG1-CB 4.37Å; I697-H725 HydrophobicContact CG2-CB 4.45Å; H698-H725 PolarHBondContact N-O 3.37Å; H725-F727 AromaticContact CD2-CE2 3.7Å; H725-F727 AromaticContact CD2-CZ 3.72Å; H725-F727 AromaticContact NE2-CD1 3.96Å; H725-F727 AromaticContact NE2-CE1 3.63Å; H725-F727 AromaticContact NE2-CZ 3.75Å
726	A	94.3	Very high	81.3	Confident	1 Å²	1	38 Å²	38	1%	0.008	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	122.9	175.4	0	0	0	0	0	111.9	S587 A588 S589 H698 L728 L980	S587-A726 PolarHBondContact O-N 2.69Å; S587-A726 VanDerWaalsContact O-N 3.09Å; A588-A726 CarbonylContact C-O 3.54Å; A588-A726 VanDerWaalsContact CA-O 3.28Å; A588-A726 WeakPolarHBondContact CA-O 3.43Å; A588-A726 HydrophobicContact CB-CB 4.42Å; S589-A726 PolarHBondContact N-O 3.18Å; H698-A726 HydrophobicContact CB-CB 4.23Å; A726-L728 HydrophobicContact CB-CD1 4.09Å; A726-L728 PolarHBondContact O-N 2.97Å; A726-L980 HydrophobicContact CB-CD1 4.25Å
727	F	92.6	Very high	81.1	Confident	3 Å²	3	41.2 Å²	41.2	1%	0.013	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	93.5	173.8	-72.5	-71.7	0	0	0	110.3	S589 K594 A597 L598 L601 I697 H698 F699 H725	S589-F727 WeakPolarHBondContact OG-CD1 3.39Å; S589-F727 WeakPolarHBondContact OG-CE1 3.42Å; K594-F727 HydrophobicContact CD-CB 3.99Å; K594-F727 HydrophobicContact CG-CB 4.31Å; K594-F727 PolarHBondContact NZ-O 3.02Å; A597-F727 HydrophobicContact CB-CD1 4.46Å; A597-F727 HydrophobicContact CB-CE1 3.65Å; A597-F727 HydrophobicContact CB-CZ 4.22Å; L598-F727 HydrophobicContact CB-CE2 4Å; L598-F727 HydrophobicContact CB-CZ 4.17Å; L598-F727 HydrophobicContact CD1-CE2 3.93Å; L601-F727 HydrophobicContact CB-CZ 4.23Å; L601-F727 HydrophobicContact CD2-CE2 3.77Å; L601-F727 HydrophobicContact CD2-CZ 3.78Å; I697-F727 HydrophobicContact CG2-CD2 3.99Å; I697-F727 HydrophobicContact CG2-CE2 3.8Å; H698-F727 PolarHBondContact O-N 2.77Å; F699-F727 HydrophobicContact CD2-CD2 4.5Å; H725-F727 AromaticContact CD2-CE2 3.7Å; H725-F727 AromaticContact CD2-CZ 3.72Å; H725-F727 AromaticContact NE2-CD1 3.96Å; H725-F727 AromaticContact NE2-CE1 3.63Å; H725-F727 AromaticContact NE2-CZ 3.75Å
728	L	87.9	Confident	80.8	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.01	22%	0.219	C	C	.	.			trans	-69.2	147.7	168.1	-74	65.2	0	0	0	108.2	A588 S589 M590 K594 A726 S730 L732 L980 A984	A588-L728 HydrophobicContact CB-CD1 3.91Å; S589-L728 PolarHBondContact O-N 2.96Å; M590-L728 HydrophobicContact CG-CB 3.77Å; M590-L728 HydrophobicContact CG-CD2 4.5Å; K594-L728 WeakPolarHBondContact CE-O 3.42Å; K594-L728 VanDerWaalsContact NZ-C 3.31Å; K594-L728 PolarHBondContact NZ-O 3.29Å; A726-L728 HydrophobicContact CB-CD1 4.09Å; A726-L728 PolarHBondContact O-N 2.97Å; L728-S730 PolarHBondContact O-N 3.37Å; L728-L732 HydrophobicContact CB-CD2 4.15Å; L728-L732 HydrophobicContact CD2-CD2 3.98Å; L728-L732 HydrophobicContact CG-CD2 4.03Å; L728-L980 HydrophobicContact CD1-CB 4.13Å; L728-L980 HydrophobicContact CD2-CB 4.28Å; L728-A984 HydrophobicContact CD2-CB 4.01Å
729	P	80.3	Confident	80.7	Confident	7 Å²	7	35.2 Å²	35.2	5%	0.045	20%	0.195	C	C	.	.			trans	-55.2	136.5	163.8	-20.9	31.2	0	0	0	110.3	K594 S731 L732 E738	K594-P729 VanDerWaalsContact NZ-N 3.1Å; P729-S731 PolarHBondContact O-N 3.12Å; P729-S731 VanDerWaalsContact O-N 3.17Å; P729-L732 HydrophobicContact CB-CB 4.08Å; P729-L732 HydrophobicContact CG-CB 4.25Å; P729-L732 HydrophobicContact CG-CD1 4.15Å; P729-L732 WeakPolarHBondContact O-CB 3.44Å; P729-L732 PolarHBondContact O-N 3.03Å; P729-E738 HydrophobicContact CB-CB 3.87Å; P729-E738 HydrophobicContact CB-CG 3.92Å; P729-E738 HydrophobicContact CG-CB 3.69Å; P729-E738 HydrophobicContact CG-CG 4.05Å
730	S	73.8	Confident	80.9	Confident	49 Å²	49	28.9 Å²	28.9	34%	0.343	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-35.8	176.2	58.6	0	0	0	0	112.2	M590 D592 L728	M590-S730 WeakPolarHBondContact O-CA 3.41Å; M590-S730 WeakPolarHBondContact O-CB 3.1Å; D592-S730 WeakPolarHBondContact OD1-CB 3.42Å; D592-S730 PolarHBondContact OD1-OG 3.12Å; L728-S730 PolarHBondContact O-N 3.37Å
731	S	69.3	Low	80.8	Confident	32 Å²	32	29.1 Å²	29.1	22%	0.224	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	11.4	-177.7	62.8	0	0	0	0	114.6	P729 M733 S734 D735	P729-S731 PolarHBondContact O-N 3.12Å; P729-S731 VanDerWaalsContact O-N 3.17Å; S731-M733 PolarHBondContact O-N 3.44Å; S731-S734 PolarHBondContact O-N 3.1Å; S731-D735 PolarHBondContact O-N 2.82Å; S731-D735 VanDerWaalsContact OG-CB 3.31Å; S731-D735 WeakPolarHBondContact OG-CB 3.07Å; S731-D735 PolarHBondContact OG-OD2 3.39Å
732	L	69.9	Low	80.6	Confident	7 Å²	7	26.4 Å²	26.4	4%	0.037	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-23.9	-172.9	-174.5	61.4	0	0	0	114.8	L728 P729 I742 T977	L728-L732 HydrophobicContact CB-CD2 4.15Å; L728-L732 HydrophobicContact CD2-CD2 3.98Å; L728-L732 HydrophobicContact CG-CD2 4.03Å; P729-L732 HydrophobicContact CB-CB 4.08Å; P729-L732 HydrophobicContact CG-CB 4.25Å; P729-L732 HydrophobicContact CG-CD1 4.15Å; P729-L732 WeakPolarHBondContact O-CB 3.44Å; P729-L732 PolarHBondContact O-N 3.03Å; L732-I742 HydrophobicContact CD1-CD1 4.36Å; L732-T977 HydrophobicContact CD2-CG2 3.52Å; L732-T977 HydrophobicContact CG-CG2 3.95Å
733	M	64.2	Low	80.2	Confident	41 Å²	41	27.1 Å²	27.1	20%	0.202	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	7	178.6	-56.8	179.6	71.6	0	0	113.7	S731 C1044 R1047	S731-M733 PolarHBondContact O-N 3.44Å; M733-C1044 HydrophobicContact CE-CB 4.05Å; M733-C1044 WeakPolarHBondContact CE-O 3.45Å; M733-R1047 HydrophobicContact CE-CB 3.69Å
734	S	65.5	Low	79.9	Confident	107 Å²	107	25.1 Å²	25.1	75%	0.748	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-149.2	-26.5	-169.8	-54.5	0	0	0	0	115	S731	S731-S734 PolarHBondContact O-N 3.1Å
735	D	68.7	Low	79.2	Confident	57 Å²	57	29.5 Å²	29.5	31%	0.305	16%	0.163	S	C	.	.			trans	-106.8	117	176.1	172.5	14.5	0	0	0	110.2	S731 H737	S731-D735 PolarHBondContact O-N 2.82Å; S731-D735 VanDerWaalsContact OG-CB 3.31Å; S731-D735 WeakPolarHBondContact OG-CB 3.07Å; S731-D735 PolarHBondContact OG-OD2 3.39Å; D735-H737 PolarHBondContact O-N 2.8Å; D735-H737 WeakPolarHBondContact OD1-CB 3.49Å; D735-H737 PolarHBondContact OD1-N 3.1Å
736	P	72.9	Confident	78.7	Confident	21 Å²	21	30.8 Å²	30.8	14%	0.136	17%	0.169	C	C	.	.	H	α-helix	trans	-66.9	-17.6	178.1	23.3	-30.5	0	0	0	115.3	E738 N740 W1050 T1052 L1114 D1115	P736-E738 PolarHBondContact O-N 2.95Å; P736-N740 WeakPolarHBondContact O-CB 3.23Å; P736-N740 PolarHBondContact O-N 3.49Å; P736-N740 VanDerWaalsContact O-N 3.08Å; P736-N740 PolarHBondContact O-ND2 3.28Å; P736-N740 VanDerWaalsContact O-ND2 3.1Å; P736-W1050 HydrophobicContact CB-CH2 3.42Å; P736-W1050 VanDerWaalsContact CB-CH2 3.42Å; P736-W1050 HydrophobicContact CB-CZ3 3.69Å; P736-T1052 HydrophobicContact CB-CG2 4.42Å; P736-L1114 CarbonylContact C-O 3.59Å; P736-D1115 VanDerWaalsContact CB-O 3.24Å; P736-D1115 WeakPolarHBondContact CB-O 3.5Å; P736-D1115 HydrophobicContact CG-CB 4Å; P736-D1115 WeakPolarHBondContact CG-O 3.43Å
737	H	77.9	Confident	78.4	Confident	70 Å²	70	30.7 Å²	30.7	32%	0.324	17%	0.169	S	C	.	.	H	α-helix	trans	-56	-52.9	-177.8	-174.7	-83.8	0	0	0	112.8	D735 N740 Y741 L1114	D735-H737 PolarHBondContact O-N 2.8Å; D735-H737 WeakPolarHBondContact OD1-CB 3.49Å; D735-H737 PolarHBondContact OD1-N 3.1Å; H737-N740 PolarHBondContact O-N 3.15Å; H737-Y741 WeakPolarHBondContact O-CB 3.43Å; H737-Y741 PolarHBondContact O-N 3.3Å; H737-L1114 WeakPolarHBondContact CA-O 3.42Å; H737-L1114 VanDerWaalsContact CD2-CB 3.44Å; H737-L1114 WeakPolarHBondContact CD2-CB 3.28Å
738	E	74.9	Confident	77.9	Confident	50 Å²	50	31.4 Å²	31.4	23%	0.234	18%	0.175	C	C	.	.	H	α-helix	trans	-77.8	-35.3	-173.2	-70.3	-63.7	103.7	0	0	112.7	P729 P736 N740 Y741 I742	P729-E738 HydrophobicContact CB-CB 3.87Å; P729-E738 HydrophobicContact CB-CG 3.92Å; P729-E738 HydrophobicContact CG-CB 3.69Å; P729-E738 HydrophobicContact CG-CG 4.05Å; P736-E738 PolarHBondContact O-N 2.95Å; E738-N740 VanDerWaalsContact C-N 3.32Å; E738-N740 PolarHBondContact O-N 3.43Å; E738-Y741 WeakPolarHBondContact O-CB 3.29Å; E738-Y741 PolarHBondContact O-N 2.99Å; E738-I742 WeakPolarHBondContact O-CG1 3.41Å; E738-I742 PolarHBondContact O-N 3.03Å
739	A	77.8	Confident	77.4	Confident	3 Å²	3	35 Å²	35	3%	0.025	19%	0.194	C	C	.	.	H	α-helix	trans	-57.9	-46	171.4	0	0	0	0	0	110.8	I742 R743 W1050	A739-I742 PolarHBondContact O-N 3.38Å; A739-R743 WeakPolarHBondContact O-CB 3.23Å; A739-R743 WeakPolarHBondContact O-CD 3.34Å; A739-R743 WeakPolarHBondContact O-CG 3.34Å; A739-R743 PolarHBondContact O-N 2.92Å; A739-W1050 HydrophobicContact CB-CE3 3.98Å; A739-W1050 HydrophobicContact CB-CH2 3.79Å; A739-W1050 HydrophobicContact CB-CZ2 4.44Å; A739-W1050 HydrophobicContact CB-CZ3 3.55Å
740	N	85	Confident	77.7	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-67.4	-37.4	174.3	-79.8	-48.5	0	0	0	113.5	P736 H737 E738 I742 R743 R744 W1050 L1114 I1116 D1117	P736-N740 WeakPolarHBondContact O-CB 3.23Å; P736-N740 PolarHBondContact O-N 3.49Å; P736-N740 VanDerWaalsContact O-N 3.08Å; P736-N740 PolarHBondContact O-ND2 3.28Å; P736-N740 VanDerWaalsContact O-ND2 3.1Å; H737-N740 PolarHBondContact O-N 3.15Å; E738-N740 VanDerWaalsContact C-N 3.32Å; E738-N740 PolarHBondContact O-N 3.43Å; N740-I742 PolarHBondContact O-N 2.92Å; N740-R743 PolarHBondContact O-N 3.04Å; N740-R744 WeakPolarHBondContact O-CB 3.48Å; N740-R744 WeakPolarHBondContact O-CG 3.22Å; N740-R744 PolarHBondContact O-N 2.79Å; N740-W1050 WeakPolarHBondContact ND2-CH2 3.43Å; N740-W1050 WeakPolarHBondContact ND2-CZ2 3.38Å; N740-W1050 WeakPolarHBondContact OD1-CZ2 3.31Å; N740-L1114 HydrophobicContact CB-CD2 4.12Å; N740-L1114 WeakPolarHBondContact CB-O 3.43Å; N740-L1114 PolarHBondContact ND2-O 3.11Å; N740-I1116 VanDerWaalsContact ND2-C 3.26Å; N740-I1116 PolarHBondContact ND2-O 3.48Å; N740-D1117 PolarHBondContact ND2-N 2.88Å; N740-D1117 WeakPolarHBondContact OD1-CA 3.45Å
741	Y	82.7	Confident	78.3	Confident	34 Å²	34	33.5 Å²	33.5	13%	0.133	18%	0.181	C	C	.	.	H	α-helix	trans	-56.2	-33.6	177.1	-171.1	-88.5	0	0	0	112.7	E623 H737 E738 R744 L1114	E623-Y741 PolarHBondContact OE1-OH 2.75Å; H737-Y741 WeakPolarHBondContact O-CB 3.43Å; H737-Y741 PolarHBondContact O-N 3.3Å; E738-Y741 WeakPolarHBondContact O-CB 3.29Å; E738-Y741 PolarHBondContact O-N 2.99Å; Y741-R744 VanDerWaalsContact CD1-NH2 3.28Å; Y741-R744 VanDerWaalsContact CE1-NH2 3.29Å; Y741-R744 PolarHBondContact O-NE 3.13Å; Y741-R744 PolarHBondContact O-NH2 3.19Å; Y741-L1114 HydrophobicContact CD2-CD1 4.24Å
742	I	80.1	Confident	79.1	Confident	26 Å²	26	34 Å²	34	13%	0.133	18%	0.181	C	C	.	.	H	α-helix	trans	-81.7	-55.2	174.2	-55.5	164.7	0	0	0	110.2	L701 L732 E738 A739 N740 R744 I973	L701-I742 HydrophobicContact CB-CD1 4.14Å; L701-I742 HydrophobicContact CD2-CD1 4.28Å; L732-I742 HydrophobicContact CD1-CD1 4.36Å; E738-I742 WeakPolarHBondContact O-CG1 3.41Å; E738-I742 PolarHBondContact O-N 3.03Å; A739-I742 PolarHBondContact O-N 3.38Å; N740-I742 PolarHBondContact O-N 2.92Å; I742-R744 PolarHBondContact O-N 2.66Å; I742-I973 HydrophobicContact CG2-CD1 4.2Å; I742-I973 HydrophobicContact CG2-CG2 4.07Å
743	R	84.5	Confident	80	Confident	15 Å²	15	35.8 Å²	35.8	6%	0.057	20%	0.197	C	C	.	.	H	α-helix	trans	-59.1	-36.4	-174.3	-72	164.3	62.6	91.2	-0.5	114.4	A739 N740 H745 I746 L970 W1050 D1117	A739-R743 WeakPolarHBondContact O-CB 3.23Å; A739-R743 WeakPolarHBondContact O-CD 3.34Å; A739-R743 WeakPolarHBondContact O-CG 3.34Å; A739-R743 PolarHBondContact O-N 2.92Å; N740-R743 PolarHBondContact O-N 3.04Å; R743-H745 PolarHBondContact O-N 2.97Å; R743-I746 WeakPolarHBondContact O-CB 3.39Å; R743-I746 PolarHBondContact O-N 2.94Å; R743-L970 HydrophobicContact CB-CD2 4.22Å; R743-L970 HydrophobicContact CG-CD2 4.15Å; R743-W1050 VanDerWaalsContact NE-NE1 3.11Å; R743-W1050 VanDerWaalsContact NH1-CD1 3.29Å; R743-D1117 IonicContact CZ-OD1 2.58Å; R743-D1117 IonicContact NE-OD1 3.24Å; R743-D1117 PolarHBondContact NE-OD1 3.46Å; R743-D1117 IonicContact NH2-OD1 3.04Å; R743-D1117 PolarHBondContact NH2-OD1 3.09Å
744	R	85.6	Confident	81.1	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.008	22%	0.221	C	C	.	.	H	α-helix	trans	-51.9	-25.4	-175.3	69.9	170.3	177.3	-131.2	-33.2	115.1	N740 Y741 I742 I746 F747 A748 H1091 I1093	N740-R744 WeakPolarHBondContact O-CB 3.48Å; N740-R744 WeakPolarHBondContact O-CG 3.22Å; N740-R744 PolarHBondContact O-N 2.79Å; Y741-R744 VanDerWaalsContact CD1-NH2 3.28Å; Y741-R744 VanDerWaalsContact CE1-NH2 3.29Å; Y741-R744 PolarHBondContact O-NE 3.13Å; Y741-R744 PolarHBondContact O-NH2 3.19Å; I742-R744 PolarHBondContact O-N 2.66Å; R744-I746 PolarHBondContact O-N 3.47Å; R744-F747 PolarHBondContact O-N 3.42Å; R744-A748 PolarHBondContact O-N 2.68Å; R744-H1091 HydrophobicContact CB-CB 4.04Å; R744-H1091 WeakPolarHBondContact CD-O 3.31Å; R744-H1091 PolarHBondContact NH1-O 3.3Å; R744-I1093 HydrophobicContact CB-CD1 4.04Å; R744-I1093 HydrophobicContact CB-CG1 4.12Å; R744-I1093 HydrophobicContact CG-CG1 4.46Å; R744-I1093 VanDerWaalsContact O-CD1 3.24Å; R744-I1093 WeakPolarHBondContact O-CD1 3.41Å
745	H	80.7	Confident	82.3	Confident	93 Å²	93	35.2 Å²	35.2	43%	0.431	19%	0.19	S	C	.	.	H	α-helix	trans	-73	-10.5	-177.6	-71.6	-71.8	0	0	0	113.4	R743	R743-H745 PolarHBondContact O-N 2.97Å
746	I	85.2	Confident	83.4	Confident	26 Å²	26	32.6 Å²	32.6	13%	0.133	18%	0.176	C	C	.	.	H	α-helix	trans	-78.6	-52.4	169.9	-67.7	165	0	0	0	109.8	R743 R744 A748 N749 E966 A969 L970 I973	R743-I746 WeakPolarHBondContact O-CB 3.39Å; R743-I746 PolarHBondContact O-N 2.94Å; R744-I746 PolarHBondContact O-N 3.47Å; I746-A748 PolarHBondContact O-N 2.86Å; I746-N749 PolarHBondContact O-N 2.97Å; I746-E966 HydrophobicContact CG2-CB 4.1Å; I746-E966 HydrophobicContact CG2-CG 3.93Å; I746-A969 VanDerWaalsContact CD1-C 3.49Å; I746-A969 HydrophobicContact CD1-CB 3.6Å; I746-A969 HydrophobicContact CG1-CB 3.81Å; I746-A969 HydrophobicContact CG2-CB 4.17Å; I746-L970 HydrophobicContact CD1-CB 4.5Å; I746-L970 HydrophobicContact CD1-CD2 3.56Å; I746-L970 HydrophobicContact CD1-CG 3.9Å; I746-L970 HydrophobicContact CG2-CG 4.47Å; I746-I973 HydrophobicContact CD1-CD1 3.45Å; I746-I973 VanDerWaalsContact CD1-CD1 3.45Å; I746-I973 HydrophobicContact CD1-CG1 4.4Å; I746-I973 HydrophobicContact CG1-CD1 4.35Å
747	F	88.1	Confident	84.3	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.4	-10.4	180	-49.1	-55.5	0	0	0	114	R744 N749 H750 L970 I1093 W1118 R1119	R744-F747 PolarHBondContact O-N 3.42Å; F747-N749 PolarHBondContact O-N 2.77Å; F747-H750 VanDerWaalsContact O-CB 3.28Å; F747-H750 WeakPolarHBondContact O-CB 3.15Å; F747-H750 PolarHBondContact O-N 2.84Å; F747-L970 HydrophobicContact CE1-CD1 4.05Å; F747-L970 HydrophobicContact CE1-CD2 4.43Å; F747-L970 HydrophobicContact CE2-CD2 4.48Å; F747-L970 HydrophobicContact CZ-CD1 4.01Å; F747-L970 HydrophobicContact CZ-CD2 3.86Å; F747-I1093 HydrophobicContact CB-CD1 4.26Å; F747-W1118 HydrophobicContact CB-CD2 3.57Å; F747-W1118 HydrophobicContact CB-CE3 3.8Å; F747-W1118 HydrophobicContact CB-CG 3.98Å; F747-W1118 HydrophobicContact CB-CH2 4.35Å; F747-W1118 HydrophobicContact CB-CZ2 4.14Å; F747-W1118 HydrophobicContact CB-CZ3 4.18Å; F747-W1118 HydrophobicContact CD1-CD2 4.29Å; F747-W1118 AromaticContact CD1-CE3 3.76Å; F747-W1118 HydrophobicContact CD1-CE3 3.76Å; F747-W1118 HydrophobicContact CD1-CZ3 4.18Å; F747-W1118 HydrophobicContact CD2-CB 3.37Å; F747-W1118 AromaticContact CD2-CD2 3.81Å; F747-W1118 HydrophobicContact CD2-CD2 3.81Å; F747-W1118 HydrophobicContact CD2-CE3 4.03Å; F747-W1118 AromaticContact CD2-CG 3.52Å; F747-W1118 HydrophobicContact CD2-CG 3.52Å; F747-W1118 HydrophobicContact CE1-CE3 4.36Å; F747-W1118 HydrophobicContact CE2-CB 3.6Å; F747-W1118 HydrophobicContact CE2-CG 4.24Å; F747-W1118 HydrophobicContact CG-CB 4.14Å; F747-W1118 AromaticContact CG-CD2 3.62Å; F747-W1118 HydrophobicContact CG-CD2 3.62Å; F747-W1118 AromaticContact CG-CE3 3.58Å; F747-W1118 HydrophobicContact CG-CE3 3.58Å; F747-W1118 AromaticContact CG-CG 3.87Å; F747-W1118 HydrophobicContact CG-CG 3.87Å; F747-W1118 HydrophobicContact CG-CZ3 4.24Å; F747-R1119 HydrophobicContact CE1-CG 4.18Å; F747-R1119 HydrophobicContact CZ-CG 4.33Å
748	A	81.1	Confident	84.9	Confident	17 Å²	17	39.9 Å²	39.9	14%	0.14	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-12.3	173.1	0	0	0	0	0	115.5	R744 I746 K803 I1093	R744-A748 PolarHBondContact O-N 2.68Å; I746-A748 PolarHBondContact O-N 2.86Å; A748-K803 PolarHBondContact O-NZ 3.5Å; A748-I1093 HydrophobicContact CB-CG2 3.76Å
749	N	77.8	Confident	85.7	Confident	78 Å²	78	37.5 Å²	37.5	42%	0.417	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-1.8	173.1	-74.5	-12	0	0	0	114	I746 F747 S806	I746-N749 PolarHBondContact O-N 2.97Å; F747-N749 PolarHBondContact O-N 2.77Å; N749-S806 PolarHBondContact OD1-OG 2.9Å
750	H	86.4	Confident	86.4	Confident	21 Å²	21	37.6 Å²	37.6	10%	0.097	19%	0.19	C	C	.	.			trans	-54.8	143.5	-176.1	-176.5	83.8	0	0	0	112.1	F747 E966 R1084 W1118 K1122	F747-H750 VanDerWaalsContact O-CB 3.28Å; F747-H750 WeakPolarHBondContact O-CB 3.15Å; F747-H750 PolarHBondContact O-N 2.84Å; H750-E966 WeakPolarHBondContact CB-OE1 3.39Å; H750-E966 IonicContact CE1-OE1 3.79Å; H750-E966 IonicContact CG-OE1 3.65Å; H750-E966 IonicContact ND1-OE1 2.84Å; H750-E966 PolarHBondContact ND1-OE1 2.86Å; H750-E966 IonicContact ND1-OE2 3.15Å; H750-E966 PolarHBondContact ND1-OE2 3.45Å; H750-R1084 VanDerWaalsContact O-CZ 3.28Å; H750-R1084 PolarHBondContact O-NE 3.44Å; H750-R1084 PolarHBondContact O-NH2 3.42Å; H750-W1118 HydrophobicContact CB-CH2 3.79Å; H750-W1118 HydrophobicContact CB-CZ2 4.46Å; H750-W1118 HydrophobicContact CB-CZ3 4.26Å; H750-W1118 AromaticContact CD2-CH2 3.44Å; H750-W1118 VanDerWaalsContact CD2-CH2 3.44Å; H750-W1118 WeakPolarHBondContact CD2-CH2 3.47Å; H750-W1118 AromaticContact CD2-CZ3 3.93Å; H750-W1118 AromaticContact CG-CH2 3.53Å; H750-W1118 AromaticContact CG-CZ3 3.81Å; H750-K1122 PolarHBondContact NE2-NZ 3.02Å
751	L	86.2	Confident	86.6	Confident	4 Å²	4	38.8 Å²	38.8	2%	0.021	20%	0.202	C	C	.	.			trans	-134.2	138	164.4	-74.5	-176.3	0	0	0	111.1	L755 L756 L759 I800 I802 I810	L751-L755 HydrophobicContact CD2-CB 4.01Å; L751-L755 HydrophobicContact CD2-CD1 4.02Å; L751-L756 HydrophobicContact CB-CD2 4.11Å; L751-L756 HydrophobicContact CB-CG 3.97Å; L751-L756 HydrophobicContact CD1-CD2 3.6Å; L751-L756 HydrophobicContact CD1-CG 4.21Å; L751-L759 HydrophobicContact CD1-CD2 4.33Å; L751-I800 HydrophobicContact CD2-CG2 4.27Å; L751-I802 HydrophobicContact CD1-CD1 3.7Å; L751-I802 HydrophobicContact CD2-CD1 4.09Å; L751-I802 HydrophobicContact CG-CD1 3.89Å; L751-I810 HydrophobicContact CD1-CD1 3.45Å; L751-I810 VanDerWaalsContact CD1-CD1 3.45Å; L751-I810 HydrophobicContact CG-CD1 4.5Å
752	D	86.2	Confident	86.8	Confident	42 Å²	42	39.7 Å²	39.7	23%	0.225	21%	0.209	C	C	.	.			trans	-70.6	149.5	167.1	-74	-81.5	0	0	0	111.9	V754 L755 L756 K1122	D752-V754 PolarHBondContact O-N 3.15Å; D752-V754 VanDerWaalsContact O-N 3.13Å; D752-L755 HydrophobicContact CB-CB 4.44Å; D752-L755 HydrophobicContact CB-CD1 4.39Å; D752-L755 HydrophobicContact CB-CG 4.26Å; D752-L755 CarbonylContact O-C 3.29Å; D752-L755 WeakPolarHBondContact O-CA 3.18Å; D752-L755 WeakPolarHBondContact O-CB 3.42Å; D752-L755 PolarHBondContact O-N 3.04Å; D752-L756 PolarHBondContact O-N 2.89Å; D752-K1122 WeakPolarHBondContact OD1-CE 3.27Å; D752-K1122 IonicContact OD1-NZ 3.34Å; D752-K1122 PolarHBondContact OD1-NZ 2.84Å; D752-K1122 WeakPolarHBondContact OD2-CE 3.4Å; D752-K1122 IonicContact OD2-NZ 3.18Å
753	A	88.5	Confident	87.2	Confident	44 Å²	44	38.6 Å²	38.6	36%	0.364	20%	0.204	S	C	.	.	H	α-helix	trans	-53.3	-33	171.6	0	0	0	0	0	112.9	L756 K757	A753-L756 PolarHBondContact O-N 2.75Å; A753-K757 WeakPolarHBondContact O-CB 3.36Å; A753-K757 PolarHBondContact O-N 3.21Å
754	V	88.3	Confident	87.3	Confident	117 Å²	117	38.3 Å²	38.3	71%	0.709	20%	0.203	S	C	*	.	H	α-helix	trans	-66.2	-39.6	173.9	-176.9	0	0	0	0	111.9	D752 R758	D752-V754 PolarHBondContact O-N 3.15Å; D752-V754 VanDerWaalsContact O-N 3.13Å; V754-R758 WeakPolarHBondContact O-CB 3.49Å; V754-R758 PolarHBondContact O-N 2.98Å
755	L	89.4	Confident	86.6	Confident	20 Å²	20	46 Å²	46	11%	0.105	24%	0.236	C	C	.	.	H	α-helix	trans	-74.1	-33.3	176.2	-65.9	176	0	0	0	111.8	L751 D752 R758 L759 I800	L751-L755 HydrophobicContact CD2-CB 4.01Å; L751-L755 HydrophobicContact CD2-CD1 4.02Å; D752-L755 HydrophobicContact CB-CB 4.44Å; D752-L755 HydrophobicContact CB-CD1 4.39Å; D752-L755 HydrophobicContact CB-CG 4.26Å; D752-L755 CarbonylContact O-C 3.29Å; D752-L755 WeakPolarHBondContact O-CA 3.18Å; D752-L755 WeakPolarHBondContact O-CB 3.42Å; D752-L755 PolarHBondContact O-N 3.04Å; L755-R758 PolarHBondContact O-N 2.79Å; L755-L759 WeakPolarHBondContact O-CB 3.42Å; L755-L759 PolarHBondContact O-N 3.14Å; L755-I800 HydrophobicContact CB-CG2 4.47Å
756	L	91.7	Very high	85.9	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-66	-43.2	171	-70.4	168.6	0	0	0	111.6	L751 D752 A753 R758 L759 L760 L955 N959 L962	L751-L756 HydrophobicContact CB-CD2 4.11Å; L751-L756 HydrophobicContact CB-CG 3.97Å; L751-L756 HydrophobicContact CD1-CD2 3.6Å; L751-L756 HydrophobicContact CD1-CG 4.21Å; D752-L756 PolarHBondContact O-N 2.89Å; A753-L756 PolarHBondContact O-N 2.75Å; L756-R758 VanDerWaalsContact C-N 3.32Å; L756-R758 PolarHBondContact O-N 3.47Å; L756-L759 HydrophobicContact CD2-CD2 4.46Å; L756-L759 WeakPolarHBondContact O-CB 3.26Å; L756-L759 PolarHBondContact O-N 2.99Å; L756-L759 VanDerWaalsContact O-N 3.14Å; L756-L760 WeakPolarHBondContact O-CG 3.38Å; L756-L760 PolarHBondContact O-N 3.36Å; L756-L955 HydrophobicContact CB-CD1 3.32Å; L756-L955 HydrophobicContact CD1-CD1 4.33Å; L756-L955 HydrophobicContact CG-CD1 4.46Å; L756-N959 HydrophobicContact CD1-CB 4.15Å; L756-L962 HydrophobicContact CD1-CD1 4.05Å; L756-L962 HydrophobicContact CD2-CD1 3.88Å
757	K	92	Very high	85.3	Confident	108 Å²	108	47.5 Å²	47.5	47%	0.47	25%	0.247	S	C	.	.	H	α-helix	trans	-63.9	-37.7	174.6	-166.5	157.8	-172	149.1	0	111.6	A753 G761 D952 L955	A753-K757 WeakPolarHBondContact O-CB 3.36Å; A753-K757 PolarHBondContact O-N 3.21Å; K757-G761 PolarHBondContact O-N 3.47Å; K757-D952 WeakPolarHBondContact CE-OD1 3.46Å; K757-D952 IonicContact NZ-OD1 3.64Å; K757-D952 PolarHBondContact NZ-OD1 3.45Å; K757-D952 IonicContact NZ-OD2 3.68Å; K757-D952 PolarHBondContact NZ-OD2 3.5Å; K757-L955 HydrophobicContact CB-CD1 4.38Å; K757-L955 HydrophobicContact CB-CD2 3.89Å; K757-L955 HydrophobicContact CD-CD2 3.93Å; K757-L955 HydrophobicContact CG-CD2 4.18Å
758	R	90.7	Very high	84.3	Confident	136 Å²	136	54 Å²	54	51%	0.513	28%	0.277	S	S	.	.	H	α-helix	trans	-65.8	-38.3	171	-172.8	176.4	179	174.1	0.1	112.6	V754 L755 L756 G761 L762	V754-R758 WeakPolarHBondContact O-CB 3.49Å; V754-R758 PolarHBondContact O-N 2.98Å; L755-R758 PolarHBondContact O-N 2.79Å; L756-R758 VanDerWaalsContact C-N 3.32Å; L756-R758 PolarHBondContact O-N 3.47Å; R758-G761 PolarHBondContact O-N 3.02Å; R758-L762 HydrophobicContact CG-CD1 4.09Å; R758-L762 WeakPolarHBondContact O-CB 3.42Å; R758-L762 WeakPolarHBondContact O-CG 3.48Å; R758-L762 PolarHBondContact O-N 3.26Å
759	L	91.8	Very high	83.6	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-63.1	-50.4	175.9	175	60	0	0	0	111.6	L751 L755 L756 G761 L762 I763 I796 I800 L807 I810	L751-L759 HydrophobicContact CD1-CD2 4.33Å; L755-L759 WeakPolarHBondContact O-CB 3.42Å; L755-L759 PolarHBondContact O-N 3.14Å; L756-L759 HydrophobicContact CD2-CD2 4.46Å; L756-L759 WeakPolarHBondContact O-CB 3.26Å; L756-L759 PolarHBondContact O-N 2.99Å; L756-L759 VanDerWaalsContact O-N 3.14Å; L759-G761 VanDerWaalsContact C-N 3.29Å; L759-G761 PolarHBondContact O-N 3.49Å; L759-L762 CarbonylContact O-C 3.36Å; L759-L762 PolarHBondContact O-N 3.15Å; L759-L762 VanDerWaalsContact O-N 3.1Å; L759-I763 HydrophobicContact CD1-CD1 3.73Å; L759-I763 HydrophobicContact CD1-CG1 4.25Å; L759-I763 HydrophobicContact CG-CD1 3.92Å; L759-I763 WeakPolarHBondContact O-CG1 3.43Å; L759-I763 PolarHBondContact O-N 3.36Å; L759-I796 HydrophobicContact CD1-CG2 3.56Å; L759-I800 HydrophobicContact CB-CD1 3.77Å; L759-I800 HydrophobicContact CD1-CD1 3.46Å; L759-I800 VanDerWaalsContact CD1-CD1 3.46Å; L759-I800 HydrophobicContact CG-CD1 4.2Å; L759-L807 HydrophobicContact CD1-CD1 3.57Å; L759-L807 HydrophobicContact CD2-CD1 4.17Å; L759-I810 HydrophobicContact CD2-CB 4.41Å; L759-I810 HydrophobicContact CD2-CD1 3.94Å; L759-I810 HydrophobicContact CD2-CG2 3.76Å
760	L	91.8	Very high	82.9	Confident	4 Å²	4	52.9 Å²	52.9	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-60.1	-41.5	176.1	-68	172.1	0	0	0	110.9	L756 L762 I763 F764 I814 L951 L955 L958	L756-L760 WeakPolarHBondContact O-CG 3.38Å; L756-L760 PolarHBondContact O-N 3.36Å; L760-L762 PolarHBondContact O-N 2.96Å; L760-I763 PolarHBondContact O-N 2.94Å; L760-F764 HydrophobicContact CB-CD2 4.46Å; L760-F764 HydrophobicContact CD2-CD2 4.15Å; L760-F764 HydrophobicContact CD2-CE2 3.81Å; L760-F764 WeakPolarHBondContact O-CB 3.46Å; L760-F764 WeakPolarHBondContact O-CD2 3.35Å; L760-F764 PolarHBondContact O-N 3.41Å; L760-I814 HydrophobicContact CD2-CD1 4.09Å; L760-L951 HydrophobicContact CB-CD2 4.43Å; L760-L955 HydrophobicContact CD1-CB 3.85Å; L760-L955 HydrophobicContact CD1-CD1 4.45Å; L760-L958 HydrophobicContact CD2-CD1 4.23Å
761	G	88.9	Confident	81.7	Confident	25 Å²	25	52.2 Å²	52.2	26%	0.258	27%	0.269	S	S	.	.	H	α-helix	trans	-56.9	-45.2	171.1	0	0	0	0	0	113.3	K757 R758 L759 I763 K765	K757-G761 PolarHBondContact O-N 3.47Å; R758-G761 PolarHBondContact O-N 3.02Å; L759-G761 VanDerWaalsContact C-N 3.29Å; L759-G761 PolarHBondContact O-N 3.49Å; G761-I763 VanDerWaalsContact C-N 3.28Å; G761-I763 PolarHBondContact O-N 3.3Å; G761-K765 WeakPolarHBondContact O-CB 3.36Å; G761-K765 PolarHBondContact O-N 3.28Å
762	L	88.2	Confident	80.5	Confident	54 Å²	54	55.5 Å²	55.5	28%	0.283	28%	0.281	S	S	.	.	H	α-helix	trans	-74.1	-11.1	179.2	-73.2	170	0	0	0	114.7	R758 L759 L760 Q799 I800	R758-L762 HydrophobicContact CG-CD1 4.09Å; R758-L762 WeakPolarHBondContact O-CB 3.42Å; R758-L762 WeakPolarHBondContact O-CG 3.48Å; R758-L762 PolarHBondContact O-N 3.26Å; L759-L762 CarbonylContact O-C 3.36Å; L759-L762 PolarHBondContact O-N 3.15Å; L759-L762 VanDerWaalsContact O-N 3.1Å; L760-L762 PolarHBondContact O-N 2.96Å; L762-Q799 HydrophobicContact CD1-CB 4.25Å; L762-Q799 VanDerWaalsContact CD2-OE1 3.25Å; L762-I800 HydrophobicContact CD1-CD1 3.84Å; L762-I800 HydrophobicContact CD1-CG1 3.86Å
763	I	87.8	Confident	78.9	Confident	3 Å²	3	58.1 Å²	58.1	2%	0.015	29%	0.291	C	S	.	.	H	α-helix	trans	-97.3	-36.4	172.9	-63.8	164.7	0	0	0	111.3	L759 L760 G761 H789 I791 I796 L811 L937	L759-I763 HydrophobicContact CD1-CD1 3.73Å; L759-I763 HydrophobicContact CD1-CG1 4.25Å; L759-I763 HydrophobicContact CG-CD1 3.92Å; L759-I763 WeakPolarHBondContact O-CG1 3.43Å; L759-I763 PolarHBondContact O-N 3.36Å; L760-I763 PolarHBondContact O-N 2.94Å; G761-I763 VanDerWaalsContact C-N 3.28Å; G761-I763 PolarHBondContact O-N 3.3Å; I763-H789 PolarHBondContact O-NE2 3.39Å; I763-I791 HydrophobicContact CG1-CD1 4.42Å; I763-I796 HydrophobicContact CG1-CD1 4.22Å; I763-L811 HydrophobicContact CD1-CD2 3.88Å; I763-L937 HydrophobicContact CG2-CD1 3.87Å
764	F	86.1	Confident	77.1	Confident	8 Å²	8	58.8 Å²	58.8	4%	0.035	29%	0.291	C	S	.	.	H	α-helix	trans	-120.9	-19.5	-165.4	-61	-64.5	0	0	0	116	L760 D766 F767 I822 I823 I939 I946 L951	L760-F764 HydrophobicContact CB-CD2 4.46Å; L760-F764 HydrophobicContact CD2-CD2 4.15Å; L760-F764 HydrophobicContact CD2-CE2 3.81Å; L760-F764 WeakPolarHBondContact O-CB 3.46Å; L760-F764 WeakPolarHBondContact O-CD2 3.35Å; L760-F764 PolarHBondContact O-N 3.41Å; F764-D766 PolarHBondContact O-N 3.3Å; F764-F767 WeakPolarHBondContact O-CB 3.1Å; F764-F767 PolarHBondContact O-N 3.44Å; F764-I822 HydrophobicContact CE1-CG2 3.94Å; F764-I822 HydrophobicContact CZ-CG2 3.81Å; F764-I823 HydrophobicContact CE1-CG2 3.78Å; F764-I823 HydrophobicContact CZ-CG2 3.76Å; F764-I939 HydrophobicContact CD1-CD1 4.03Å; F764-I939 HydrophobicContact CE1-CD1 4.02Å; F764-I939 HydrophobicContact CE1-CG1 4.19Å; F764-I946 HydrophobicContact CB-CD1 3.99Å; F764-I946 HydrophobicContact CD1-CD1 3.46Å; F764-I946 VanDerWaalsContact CD1-CD1 3.46Å; F764-I946 HydrophobicContact CE1-CD1 4.18Å; F764-I946 HydrophobicContact CG-CD1 3.96Å; F764-L951 HydrophobicContact CB-CD2 4.27Å; F764-L951 HydrophobicContact CD2-CD2 3.65Å; F764-L951 HydrophobicContact CE2-CD2 4.29Å; F764-L951 HydrophobicContact CG-CD2 4.17Å
765	K	71.3	Confident	75.4	Confident	163 Å²	163	58.6 Å²	58.6	71%	0.709	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-38.9	-173.7	-171.4	-173.5	176.3	-168.5	0	112.9	G761 F767	G761-K765 WeakPolarHBondContact O-CB 3.36Å; G761-K765 PolarHBondContact O-N 3.28Å; K765-F767 VanDerWaalsContact C-N 3.28Å
766	D	66.2	Low	73.5	Confident	129 Å²	129	62.6 Å²	62.6	69%	0.69	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	8.5	179.7	-54.7	-22.7	0	0	0	111.7	F764	F764-D766 PolarHBondContact O-N 3.3Å
767	F	72.4	Confident	71.3	Confident	22 Å²	22	68.5 Å²	68.5	10%	0.096	33%	0.331	C	S	.	.			trans	-83.7	126	174.5	174	-103.7	0	0	0	110.8	F764 K765 H787 H789 I939 V944 I946	F764-F767 WeakPolarHBondContact O-CB 3.1Å; F764-F767 PolarHBondContact O-N 3.44Å; K765-F767 VanDerWaalsContact C-N 3.28Å; F767-H787 HydrophobicContact CE2-CB 4.13Å; F767-H787 HydrophobicContact CZ-CB 3.96Å; F767-H789 HydrophobicContact CD2-CB 3.92Å; F767-H789 AromaticContact CD2-CG 3.94Å; F767-H789 AromaticContact CD2-ND1 3.81Å; F767-H789 HydrophobicContact CE2-CB 4.18Å; F767-I939 HydrophobicContact CB-CD1 4.43Å; F767-I939 HydrophobicContact CD1-CD1 3.75Å; F767-I939 HydrophobicContact CD2-CD1 3.65Å; F767-I939 HydrophobicContact CE1-CB 4.43Å; F767-I939 HydrophobicContact CE1-CD1 3.86Å; F767-I939 HydrophobicContact CE1-CG2 4.02Å; F767-I939 HydrophobicContact CE2-CD1 3.77Å; F767-I939 HydrophobicContact CG-CD1 3.64Å; F767-I939 HydrophobicContact CZ-CB 4.28Å; F767-I939 HydrophobicContact CZ-CD1 3.87Å; F767-I939 HydrophobicContact CZ-CG2 4.33Å; F767-V944 HydrophobicContact CE1-CG1 4.37Å; F767-V944 HydrophobicContact CE1-CG2 4.02Å; F767-I946 HydrophobicContact CD1-CD1 3.9Å; F767-I946 HydrophobicContact CE1-CD1 4.45Å
768	H	68.5	Low	69.2	Low	138 Å²	138	72.5 Å²	72.5	64%	0.639	35%	0.348	S	S	*	.			trans	-128.1	147.1	175	-59.4	-16	0	0	0	109.5	T770	H768-T770 PolarHBondContact O-N 3.32Å
769	C	66.1	Low	67.2	Low	23 Å²	23	74.4 Å²	74.4	16%	0.155	36%	0.363	C	S	.	.			trans	-62.2	113.5	174.4	-159.1	0	0	0	0	109	C771 V774 H787 V944	C769-C771 HydrophobicContact CB-CB 4.48Å; C769-C771 WeakPolarHBondContact CB-SG 3.42Å; C769-C771 PolarHBondContact O-N 3.28Å; C769-C771 WeakPolarHBondContact SG-CB 3.41Å; C769-C771 CovalentContact SG-SG 2.05Å; C769-C771 PolarHBondContact SG-SG 2.74Å; C769-V774 HydrophobicContact CB-CG2 4.1Å; C769-H787 VanDerWaalsContact SG-CD2 3.56Å; C769-H787 PolarHBondContact SG-NE2 3.1Å; C769-V944 HydrophobicContact CB-CG1 3.87Å
770	T	62.7	Low	65	Low	47 Å²	47	79.7 Å²	79.7	29%	0.288	39%	0.391	S	S	.	.			trans	-89.3	18.7	172.7	36.6	0	0	0	0	111.4	H768 N888	H768-T770 PolarHBondContact O-N 3.32Å; T770-N888 PolarHBondContact OG1-ND2 2.99Å
771	C	61.4	Low	63	Low	7 Å²	7	81.2 Å²	81.2	5%	0.047	40%	0.401	C	S	.	.			trans	-67.8	131.1	173.6	50.7	0	0	0	0	111.4	C769 F773 V774 H787	C769-C771 HydrophobicContact CB-CB 4.48Å; C769-C771 WeakPolarHBondContact CB-SG 3.42Å; C769-C771 PolarHBondContact O-N 3.28Å; C769-C771 WeakPolarHBondContact SG-CB 3.41Å; C769-C771 CovalentContact SG-SG 2.05Å; C769-C771 PolarHBondContact SG-SG 2.74Å; C771-F773 PolarHBondContact O-N 3.28Å; C771-V774 PolarHBondContact O-N 3Å; C771-V774 WeakPolarHBondContact SG-CG2 3.36Å; C771-H787 WeakPolarHBondContact CB-NE2 3.39Å; C771-H787 PolarHBondContact N-CE1 3.35Å; C771-H787 PolarHBondContact N-NE2 3.48Å
772	R	59.6	Low	61.2	Low	74 Å²	74	85.9 Å²	85.9	28%	0.279	43%	0.425	S	S	.	.	H	α-helix	trans	-49.2	-31	169.9	-174.7	-174.4	-178.9	-178.4	8.8	113	D329 N330 V774 E775 N776	D329-R772 PolarHBondContact O-NH1 3.46Å; N330-R772 PolarHBondContact OD1-NH2 2.96Å; R772-V774 VanDerWaalsContact C-N 3.32Å; R772-V774 PolarHBondContact O-N 3.04Å; R772-E775 PolarHBondContact O-N 3.28Å; R772-N776 PolarHBondContact O-N 3.08Å
773	F	53.9	Low	59.9	Low	96 Å²	96	86.6 Å²	86.6	42%	0.421	43%	0.434	S	S	.	.	H	α-helix	trans	-61.4	-33.2	177.3	-65.8	-71.3	0	0	0	113.7	C771 H777	C771-F773 PolarHBondContact O-N 3.28Å; F773-H777 CarbonylContact O-C 3.6Å; F773-H777 WeakPolarHBondContact O-CA 3.28Å; F773-H777 PolarHBondContact O-N 3.15Å
774	V	51.4	Low	58.9	Low	59 Å²	59	87.3 Å²	87.3	36%	0.358	44%	0.439	S	S	.	.	H	α-helix	trans	-81.4	-25	179.2	162.6	0	0	0	0	112.8	C769 C771 R772 P781	C769-V774 HydrophobicContact CB-CG2 4.1Å; C771-V774 PolarHBondContact O-N 3Å; C771-V774 WeakPolarHBondContact SG-CG2 3.36Å; R772-V774 VanDerWaalsContact C-N 3.32Å; R772-V774 PolarHBondContact O-N 3.04Å; V774-P781 HydrophobicContact CG2-CB 4.24Å
775	E	51.3	Low	58.2	Low	112 Å²	112	92.3 Å²	92.3	52%	0.523	46%	0.462	S	S	.	.	H	α-helix	trans	-68.7	-38.9	168.3	-71	-179.8	-180	0	0	111.7	R772 R889	R772-E775 PolarHBondContact O-N 3.28Å; E775-R889 IonicContact OE1-CZ 3.82Å; E775-R889 IonicContact OE1-NH1 3.52Å; E775-R889 PolarHBondContact OE1-NH1 3.34Å; E775-R889 IonicContact OE1-NH2 3.37Å; E775-R889 IonicContact OE2-CZ 2.63Å; E775-R889 VanDerWaalsContact OE2-CZ 3.26Å; E775-R889 IonicContact OE2-NH1 2.61Å; E775-R889 PolarHBondContact OE2-NH1 3.29Å; E775-R889 IonicContact OE2-NH2 3.74Å; E775-R889 PolarHBondContact OE2-NH2 2.97Å
776	N	49.7	Very low	58.6	Low	105 Å²	105	84.7 Å²	84.7	56%	0.561	43%	0.43	S	S	*	.	H	α-helix	trans	-91.9	-33.3	-175.3	-75.6	9.3	0	0	0	115	R772	R772-N776 PolarHBondContact O-N 3.08Å
777	H	46.2	Very low	59.4	Low	124 Å²	124	78.9 Å²	78.9	57%	0.574	40%	0.399	S	S	*	.			trans	-135	91.1	-175	-65.9	-77.4	0	0	0	110.6	F773 E779	F773-H777 CarbonylContact O-C 3.6Å; F773-H777 WeakPolarHBondContact O-CA 3.28Å; F773-H777 PolarHBondContact O-N 3.15Å; H777-E779 PolarHBondContact O-N 2.98Å; H777-E779 VanDerWaalsContact O-N 3.11Å
778	K	48	Very low	60	Low	193 Å²	193	78 Å²	78	84%	0.839	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.6	-178.4	-67.5	-178.8	178.1	177	0	114.9
779	E	47.2	Very low	60.9	Low	176 Å²	176	73.4 Å²	73.4	82%	0.822	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-18.7	-162.8	-64.3	175.5	170.6	0	0	114.6	H777	H777-E779 PolarHBondContact O-N 2.98Å; H777-E779 VanDerWaalsContact O-N 3.11Å
780	N	46.1	Very low	61.9	Low	111 Å²	111	73.4 Å²	73.4	59%	0.594	38%	0.376	S	S	*	.			trans	-149.7	94.4	-177.3	-91	-63.3	0	0	0	113	V782	N780-V782 HydrophobicContact CB-CG2 4.22Å; N780-V782 PolarHBondContact O-N 2.93Å; N780-V782 WeakPolarHBondContact OD1-CG2 3.29Å
781	P	49.6	Very low	63.2	Low	36 Å²	36	71.5 Å²	71.5	23%	0.234	36%	0.364	C	S	.	.			trans	-76.5	7.8	174.1	32.1	-35.3	0	0	0	114.3	V774 S783 C784	V774-P781 HydrophobicContact CG2-CB 4.24Å; P781-S783 PolarHBondContact O-N 2.98Å; P781-C784 WeakPolarHBondContact O-CB 3.46Å; P781-C784 PolarHBondContact O-N 2.99Å
782	V	52	Low	64.5	Low	124 Å²	124	72.3 Å²	72.3	75%	0.752	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-18.4	-168.1	-175.6	0	0	0	0	114.7	N780	N780-V782 HydrophobicContact CB-CG2 4.22Å; N780-V782 PolarHBondContact O-N 2.93Å; N780-V782 WeakPolarHBondContact OD1-CG2 3.29Å
783	S	61.2	Low	65.8	Low	68 Å²	68	70.1 Å²	70.1	48%	0.476	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	0.9	177.5	58.4	0	0	0	0	115	P781 Q785	P781-S783 PolarHBondContact O-N 2.98Å; S783-Q785 PolarHBondContact O-N 2.9Å
784	C	67	Low	67.4	Low	18 Å²	18	72 Å²	72	12%	0.122	37%	0.366	C	S	.	.			trans	-69.1	125.3	179	-168.7	0	0	0	0	111.6	P781 G786 G941	P781-C784 WeakPolarHBondContact O-CB 3.46Å; P781-C784 PolarHBondContact O-N 2.99Å; C784-G786 PolarHBondContact SG-N 3.28Å; C784-G941 CarbonylContact O-C 3.58Å; C784-G941 VanDerWaalsContact O-CA 3.31Å; C784-G941 WeakPolarHBondContact O-CA 3.2Å
785	Q	70.3	Confident	69.2	Low	113 Å²	113	72.3 Å²	72.3	53%	0.528	37%	0.367	S	S	.	.			trans	-86.6	-19	173.5	-65.2	-174.6	-4.3	0	0	113	S783 G941	S783-Q785 PolarHBondContact O-N 2.9Å; Q785-G941 PolarHBondContact O-N 2.73Å; Q785-G941 VanDerWaalsContact O-N 3.13Å
786	G	79	Confident	71	Confident	4 Å²	4	67.5 Å²	67.5	4%	0.041	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	135.1	176.9	-179.4	0	0	0	0	0	112.9	C784 W938 I939 G941	C784-G786 PolarHBondContact SG-N 3.28Å; G786-W938 VanDerWaalsContact C-CZ2 3.4Å; G786-W938 VanDerWaalsContact CA-CZ2 3.49Å; G786-W938 WeakPolarHBondContact O-CH2 3.38Å; G786-I939 CarbonylContact C-O 3.15Å; G786-I939 WeakPolarHBondContact CA-O 3.49Å; G786-G941 VanDerWaalsContact CA-N 3.26Å
787	H	83.2	Confident	72.9	Confident	6 Å²	6	62.9 Å²	62.9	3%	0.028	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	153.5	-174.9	-80.3	-47.4	0	0	0	113.6	F767 C769 C771 W938 I939	F767-H787 HydrophobicContact CE2-CB 4.13Å; F767-H787 HydrophobicContact CZ-CB 3.96Å; C769-H787 VanDerWaalsContact SG-CD2 3.56Å; C769-H787 PolarHBondContact SG-NE2 3.1Å; C771-H787 WeakPolarHBondContact CB-NE2 3.39Å; C771-H787 PolarHBondContact N-CE1 3.35Å; C771-H787 PolarHBondContact N-NE2 3.48Å; H787-W938 CarbonylContact O-C 3.58Å; H787-W938 WeakPolarHBondContact O-CA 3.43Å; H787-I939 PolarHBondContact N-O 2.91Å; H787-I939 PolarHBondContact O-N 3.46Å
788	V	84.9	Confident	75	Confident	3 Å²	3	62.6 Å²	62.6	2%	0.018	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	124.7	164.8	177.3	0	0	0	0	110.6	L826 P884 F887 N888 W936 L937 W938	V788-L826 HydrophobicContact CG2-CD1 3.81Å; V788-P884 HydrophobicContact CG1-CB 4.14Å; V788-F887 HydrophobicContact CB-CD1 4.06Å; V788-F887 HydrophobicContact CG2-CD1 3.39Å; V788-F887 HydrophobicContact CG2-CE1 3.52Å; V788-N888 WeakPolarHBondContact CB-OD1 3.5Å; V788-N888 PolarHBondContact N-OD1 2.95Å; V788-N888 PolarHBondContact O-ND2 2.99Å; V788-W936 HydrophobicContact CG1-CB 4.4Å; V788-W936 HydrophobicContact CG1-CD2 3.98Å; V788-W936 HydrophobicContact CG1-CE3 3.31Å; V788-W936 HydrophobicContact CG1-CG 4.47Å; V788-W936 HydrophobicContact CG1-CZ3 3.67Å; V788-L937 CarbonylContact C-O 3.59Å; V788-L937 VanDerWaalsContact CA-O 3.24Å; V788-L937 WeakPolarHBondContact CA-O 3.19Å; V788-W938 HydrophobicContact CG2-CE3 4Å; V788-W938 HydrophobicContact CG2-CZ3 4.37Å
789	H	87.3	Confident	76.9	Confident	43 Å²	43	57.5 Å²	57.5	20%	0.199	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	157.6	161.1	-173.5	62.9	0	0	0	109.3	I763 F767 W936 L937 I939	I763-H789 PolarHBondContact O-NE2 3.39Å; F767-H789 HydrophobicContact CD2-CB 3.92Å; F767-H789 AromaticContact CD2-CG 3.94Å; F767-H789 AromaticContact CD2-ND1 3.81Å; F767-H789 HydrophobicContact CE2-CB 4.18Å; H789-W936 WeakPolarHBondContact O-CA 3.42Å; H789-L937 PolarHBondContact N-O 3.18Å; H789-L937 PolarHBondContact O-N 3.05Å; H789-I939 HydrophobicContact CB-CD1 3.76Å; H789-I939 HydrophobicContact CB-CG1 4.47Å
790	A	88.7	Confident	78.8	Confident	22 Å²	22	49.4 Å²	49.4	18%	0.182	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	120.8	-175.1	0	0	0	0	0	112.4	A831 P884 S935 W936	A790-A831 HydrophobicContact CB-CB 4.32Å; A790-P884 HydrophobicContact CB-CB 4.48Å; A790-P884 HydrophobicContact CB-CG 3.58Å; A790-S935 WeakPolarHBondContact CA-O 3.28Å; A790-W936 HydrophobicContact CB-CD2 4.47Å; A790-W936 HydrophobicContact CB-CG 4.2Å
791	I	89.2	Confident	80.9	Confident	8 Å²	8	44.4 Å²	44.4	4%	0.041	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	133.9	-172.1	52.8	168.2	0	0	0	111.9	I763 L793 I796 L811 S934 S935 L937	I763-I791 HydrophobicContact CG1-CD1 4.42Å; I791-L793 HydrophobicContact CD1-CD2 3.77Å; I791-L793 HydrophobicContact CG1-CD2 4.12Å; I791-L793 PolarHBondContact O-N 3.29Å; I791-I796 HydrophobicContact CB-CD1 3.83Å; I791-I796 HydrophobicContact CD1-CD1 4.11Å; I791-I796 HydrophobicContact CG2-CD1 4.07Å; I791-L811 HydrophobicContact CD1-CD1 3.95Å; I791-L811 HydrophobicContact CD1-CD2 4.12Å; I791-S934 CarbonylContact O-C 3.54Å; I791-S934 WeakPolarHBondContact O-CA 3.19Å; I791-S934 WeakPolarHBondContact O-CB 3.4Å; I791-S935 PolarHBondContact N-O 3.12Å; I791-S935 PolarHBondContact O-N 3.41Å; I791-L937 HydrophobicContact CD1-CD1 3.97Å; I791-L937 HydrophobicContact CD1-CD2 4.29Å; I791-L937 HydrophobicContact CD1-CG 4.42Å; I791-L937 HydrophobicContact CG1-CD1 4.25Å; I791-L937 HydrophobicContact CG1-CD2 4.44Å; I791-L937 HydrophobicContact CG1-CG 4.34Å
792	D	88.8	Confident	82.7	Confident	23 Å²	23	42.9 Å²	42.9	12%	0.123	22%	0.224	C	C	.	.			trans	-83.1	102.4	169.4	-166.6	-34.7	0	0	0	109.1	R794 V795 I796	D792-R794 PolarHBondContact O-N 2.99Å; D792-R794 WeakPolarHBondContact OD1-CB 3.15Å; D792-R794 IonicContact OD1-CZ 3.67Å; D792-R794 PolarHBondContact OD1-N 3.29Å; D792-R794 IonicContact OD1-NE 2.69Å; D792-R794 PolarHBondContact OD1-NE 3.19Å; D792-R794 IonicContact OD1-NH2 3.62Å; D792-R794 PolarHBondContact OD1-NH2 3.48Å; D792-R794 IonicContact OD2-CZ 3.7Å; D792-R794 IonicContact OD2-NE 2.78Å; D792-R794 IonicContact OD2-NH2 2.87Å; D792-R794 PolarHBondContact OD2-NH2 3.36Å; D792-V795 HydrophobicContact CB-CB 4.35Å; D792-V795 HydrophobicContact CB-CG2 3.94Å; D792-V795 PolarHBondContact O-N 2.87Å; D792-V795 VanDerWaalsContact O-N 3.09Å; D792-I796 PolarHBondContact O-N 3.31Å
793	L	86.8	Confident	84.3	Confident	29 Å²	29	39.7 Å²	39.7	15%	0.152	20%	0.201	C	C	.	.	H	α-helix	trans	-54.2	-26	-178.3	-61.5	-173.6	0	0	0	113.1	I791 S797 L807 L811 S935	I791-L793 HydrophobicContact CD1-CD2 3.77Å; I791-L793 HydrophobicContact CG1-CD2 4.12Å; I791-L793 PolarHBondContact O-N 3.29Å; L793-S797 WeakPolarHBondContact O-CB 3.45Å; L793-S797 PolarHBondContact O-N 3.07Å; L793-L807 HydrophobicContact CB-CD2 4.08Å; L793-L807 HydrophobicContact CD2-CD2 3.89Å; L793-L807 HydrophobicContact CD2-CG 4.2Å; L793-L807 WeakPolarHBondContact O-CD2 3.27Å; L793-L811 HydrophobicContact CD2-CD1 3.57Å; L793-S935 VanDerWaalsContact CD1-OG 3.31Å; L793-S935 WeakPolarHBondContact CD1-OG 3.42Å
794	R	87.3	Confident	85.3	Confident	136 Å²	136	38.9 Å²	38.9	51%	0.513	19%	0.194	S	C	.	.	H	α-helix	trans	-75.9	-40.7	-178.9	-58	166.2	-64.1	162.7	5.5	111.4	D792 I796 S797 E798	D792-R794 PolarHBondContact O-N 2.99Å; D792-R794 WeakPolarHBondContact OD1-CB 3.15Å; D792-R794 IonicContact OD1-CZ 3.67Å; D792-R794 PolarHBondContact OD1-N 3.29Å; D792-R794 IonicContact OD1-NE 2.69Å; D792-R794 PolarHBondContact OD1-NE 3.19Å; D792-R794 IonicContact OD1-NH2 3.62Å; D792-R794 PolarHBondContact OD1-NH2 3.48Å; D792-R794 IonicContact OD2-CZ 3.7Å; D792-R794 IonicContact OD2-NE 2.78Å; D792-R794 IonicContact OD2-NH2 2.87Å; D792-R794 PolarHBondContact OD2-NH2 3.36Å; R794-I796 VanDerWaalsContact C-N 3.34Å; R794-I796 PolarHBondContact O-N 3.34Å; R794-S797 WeakPolarHBondContact O-CB 3.19Å; R794-S797 PolarHBondContact O-N 2.83Å; R794-E798 WeakPolarHBondContact O-CB 3.36Å; R794-E798 VanDerWaalsContact O-CG 3.31Å; R794-E798 WeakPolarHBondContact O-CG 3.45Å; R794-E798 PolarHBondContact O-N 3.37Å
795	V	89	Confident	85.9	Confident	65 Å²	65	44.2 Å²	44.2	39%	0.394	22%	0.217	S	C	.	.	H	α-helix	trans	-63.4	-43	176.1	-179.8	0	0	0	0	110.2	D792 Q799	D792-V795 HydrophobicContact CB-CB 4.35Å; D792-V795 HydrophobicContact CB-CG2 3.94Å; D792-V795 PolarHBondContact O-N 2.87Å; D792-V795 VanDerWaalsContact O-N 3.09Å; V795-Q799 WeakPolarHBondContact O-CB 3.36Å; V795-Q799 VanDerWaalsContact O-CG 3.27Å; V795-Q799 WeakPolarHBondContact O-CG 3.37Å; V795-Q799 PolarHBondContact O-N 3.16Å
796	I	90.6	Very high	86.5	Confident	10 Å²	10	39.3 Å²	39.3	5%	0.051	20%	0.195	C	C	.	.	H	α-helix	trans	-68.3	-42.9	176.6	-62.3	-179.9	0	0	0	110.9	L759 I763 I791 D792 R794 E798 Q799 I800 L807	L759-I796 HydrophobicContact CD1-CG2 3.56Å; I763-I796 HydrophobicContact CG1-CD1 4.22Å; I791-I796 HydrophobicContact CB-CD1 3.83Å; I791-I796 HydrophobicContact CD1-CD1 4.11Å; I791-I796 HydrophobicContact CG2-CD1 4.07Å; D792-I796 PolarHBondContact O-N 3.31Å; R794-I796 VanDerWaalsContact C-N 3.34Å; R794-I796 PolarHBondContact O-N 3.34Å; I796-E798 PolarHBondContact O-N 3.13Å; I796-Q799 PolarHBondContact O-N 3Å; I796-I800 HydrophobicContact CG2-CD1 3.6Å; I796-I800 WeakPolarHBondContact O-CB 3.33Å; I796-I800 WeakPolarHBondContact O-CG1 3.38Å; I796-I800 PolarHBondContact O-N 3.06Å; I796-I800 VanDerWaalsContact O-N 3.12Å; I796-L807 HydrophobicContact CB-CD2 3.95Å; I796-L807 HydrophobicContact CG2-CD1 4.17Å; I796-L807 HydrophobicContact CG2-CD2 3.74Å
797	S	89.3	Confident	86.9	Confident	8 Å²	8	39.1 Å²	39.1	6%	0.056	19%	0.193	C	C	.	.	H	α-helix	trans	-56.4	-45.2	175.2	167.7	0	0	0	0	112.7	L793 R794 D801 I802	L793-S797 WeakPolarHBondContact O-CB 3.45Å; L793-S797 PolarHBondContact O-N 3.07Å; R794-S797 WeakPolarHBondContact O-CB 3.19Å; R794-S797 PolarHBondContact O-N 2.83Å; S797-D801 PolarHBondContact O-N 2.85Å; S797-D801 VanDerWaalsContact O-N 3.13Å; S797-I802 WeakPolarHBondContact CA-O 3.3Å; S797-I802 VanDerWaalsContact CB-O 3.31Å; S797-I802 WeakPolarHBondContact CB-O 3.44Å; S797-I802 PolarHBondContact O-N 3.35Å; S797-I802 VanDerWaalsContact O-N 3.17Å; S797-I802 PolarHBondContact OG-O 3.44Å
798	E	88.6	Confident	86.8	Confident	119 Å²	119	40.6 Å²	40.6	56%	0.556	21%	0.206	S	C	*	.	H	α-helix	trans	-69.1	-44	175.5	-72.9	171.8	-164.9	0	0	111.7	R794 I796 I800 H1097	R794-E798 WeakPolarHBondContact O-CB 3.36Å; R794-E798 VanDerWaalsContact O-CG 3.31Å; R794-E798 WeakPolarHBondContact O-CG 3.45Å; R794-E798 PolarHBondContact O-N 3.37Å; I796-E798 PolarHBondContact O-N 3.13Å; E798-I800 VanDerWaalsContact C-N 3.29Å; E798-I800 PolarHBondContact O-N 2.96Å; E798-H1097 PolarHBondContact O-CE1 2.86Å; E798-H1097 PolarHBondContact O-NE2 3.26Å
799	Q	87.9	Confident	86.7	Confident	85 Å²	85	41.5 Å²	41.5	40%	0.397	21%	0.212	S	C	.	.	H	α-helix	trans	-67.1	-24.6	-178.1	-75.2	-177.6	19.1	0	0	114.8	L762 V795 I796	L762-Q799 HydrophobicContact CD1-CB 4.25Å; L762-Q799 VanDerWaalsContact CD2-OE1 3.25Å; V795-Q799 WeakPolarHBondContact O-CB 3.36Å; V795-Q799 VanDerWaalsContact O-CG 3.27Å; V795-Q799 WeakPolarHBondContact O-CG 3.37Å; V795-Q799 PolarHBondContact O-N 3.16Å; I796-Q799 PolarHBondContact O-N 3Å
800	I	88.9	Confident	86.7	Confident	6 Å²	6	39.6 Å²	39.6	3%	0.031	20%	0.203	C	C	.	.	H	α-helix	trans	-110.3	-10.3	-173.1	-59.3	173.3	0	0	0	112.4	L751 L755 L759 L762 I796 E798 I802	L751-I800 HydrophobicContact CD2-CG2 4.27Å; L755-I800 HydrophobicContact CB-CG2 4.47Å; L759-I800 HydrophobicContact CB-CD1 3.77Å; L759-I800 HydrophobicContact CD1-CD1 3.46Å; L759-I800 VanDerWaalsContact CD1-CD1 3.46Å; L759-I800 HydrophobicContact CG-CD1 4.2Å; L762-I800 HydrophobicContact CD1-CD1 3.84Å; L762-I800 HydrophobicContact CD1-CG1 3.86Å; I796-I800 HydrophobicContact CG2-CD1 3.6Å; I796-I800 WeakPolarHBondContact O-CB 3.33Å; I796-I800 WeakPolarHBondContact O-CG1 3.38Å; I796-I800 PolarHBondContact O-N 3.06Å; I796-I800 VanDerWaalsContact O-N 3.12Å; E798-I800 VanDerWaalsContact C-N 3.29Å; E798-I800 PolarHBondContact O-N 2.96Å; I800-I802 HydrophobicContact CB-CG2 4.15Å; I800-I802 HydrophobicContact CG2-CG2 4.1Å
801	D	88.5	Confident	86.7	Confident	7 Å²	7	38.7 Å²	38.7	4%	0.037	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	57.4	-172.4	-158.7	36.3	0	0	0	112.9	S797 R1084 T1095 P1096 H1097	S797-D801 PolarHBondContact O-N 2.85Å; S797-D801 VanDerWaalsContact O-N 3.13Å; D801-R1084 PolarHBondContact O-NH1 2.89Å; D801-R1084 PolarHBondContact O-NH2 2.8Å; D801-T1095 VanDerWaalsContact CG-CB 3.47Å; D801-T1095 VanDerWaalsContact OD1-CB 3.24Å; D801-T1095 WeakPolarHBondContact OD1-CB 3.43Å; D801-T1095 PolarHBondContact OD1-OG1 2.67Å; D801-T1095 WeakPolarHBondContact OD2-CB 3.25Å; D801-T1095 PolarHBondContact OD2-OG1 2.69Å; D801-P1096 WeakPolarHBondContact OD1-CD 3.48Å; D801-H1097 WeakPolarHBondContact OD1-CB 2.84Å; D801-H1097 IonicContact OD1-CG 2.95Å; D801-H1097 PolarHBondContact OD1-N 2.63Å; D801-H1097 IonicContact OD1-ND1 3.9Å
802	I	88.2	Confident	86.3	Confident	3 Å²	3	38.4 Å²	38.4	2%	0.015	19%	0.194	C	C	.	.			trans	-133.3	143.7	175.3	-174.1	164	0	0	0	110.3	L751 S797 I800 L807 I810 P1096	L751-I802 HydrophobicContact CD1-CD1 3.7Å; L751-I802 HydrophobicContact CD2-CD1 4.09Å; L751-I802 HydrophobicContact CG-CD1 3.89Å; S797-I802 WeakPolarHBondContact CA-O 3.3Å; S797-I802 VanDerWaalsContact CB-O 3.31Å; S797-I802 WeakPolarHBondContact CB-O 3.44Å; S797-I802 PolarHBondContact O-N 3.35Å; S797-I802 VanDerWaalsContact O-N 3.17Å; S797-I802 PolarHBondContact OG-O 3.44Å; I800-I802 HydrophobicContact CB-CG2 4.15Å; I800-I802 HydrophobicContact CG2-CG2 4.1Å; I802-L807 HydrophobicContact CG2-CB 4.43Å; I802-I810 HydrophobicContact CD1-CD1 3.56Å; I802-P1096 WeakPolarHBondContact O-CG 3.49Å
803	K	85.2	Confident	86.2	Confident	58 Å²	58	38 Å²	38	25%	0.252	19%	0.191	S	C	.	.			trans	-68	144.4	177.9	-57	177.6	-175.5	104.3	0	110.5	A748 E805 S806 L807 S1094	A748-K803 PolarHBondContact O-NZ 3.5Å; K803-E805 WeakPolarHBondContact CB-OE2 3.48Å; K803-E805 PolarHBondContact O-N 3.06Å; K803-S806 PolarHBondContact O-N 2.83Å; K803-S806 VanDerWaalsContact O-N 3.09Å; K803-L807 PolarHBondContact O-N 3.4Å; K803-S1094 WeakPolarHBondContact CE-O 3.14Å; K803-S1094 PolarHBondContact NZ-O 3.13Å; K803-S1094 VanDerWaalsContact NZ-O 3.14Å
804	P	83.3	Confident	86.2	Confident	51 Å²	51	36.6 Å²	36.6	33%	0.331	18%	0.183	S	C	.	.	H	α-helix	trans	-63.4	-29.2	-176.2	25.6	-34.3	0	0	0	112.9	L807 A808	P804-L807 PolarHBondContact O-N 3.44Å; P804-A808 PolarHBondContact O-N 3.19Å
805	E	78	Confident	86	Confident	130 Å²	130	31.9 Å²	31.9	61%	0.607	17%	0.167	S	C	*	.	H	α-helix	trans	-65	-44	173.8	-56.4	81.7	179.6	0	0	111.3	K803 L807 A808 T809	K803-E805 WeakPolarHBondContact CB-OE2 3.48Å; K803-E805 PolarHBondContact O-N 3.06Å; E805-L807 VanDerWaalsContact C-N 3.33Å; E805-A808 WeakPolarHBondContact O-CB 3.39Å; E805-A808 PolarHBondContact O-N 3.05Å; E805-T809 PolarHBondContact O-N 3.07Å; E805-T809 PolarHBondContact O-OG1 3.06Å
806	S	83.2	Confident	85.6	Confident	9 Å²	9	31.3 Å²	31.3	6%	0.063	16%	0.162	C	C	.	.	H	α-helix	trans	-70.9	-30	179.1	-37	0	0	0	0	112	N749 K803 T809 I810	N749-S806 PolarHBondContact OD1-OG 2.9Å; K803-S806 PolarHBondContact O-N 2.83Å; K803-S806 VanDerWaalsContact O-N 3.09Å; S806-T809 WeakPolarHBondContact O-CB 3.36Å; S806-T809 PolarHBondContact O-N 2.87Å; S806-I810 WeakPolarHBondContact O-CG1 3.37Å; S806-I810 PolarHBondContact O-N 2.77Å
807	L	87.4	Confident	85.2	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-66.9	-41.5	169.7	176.2	58.4	0	0	0	111.7	L759 L793 I796 I802 K803 P804 E805 T809 I810 L811	L759-L807 HydrophobicContact CD1-CD1 3.57Å; L759-L807 HydrophobicContact CD2-CD1 4.17Å; L793-L807 HydrophobicContact CB-CD2 4.08Å; L793-L807 HydrophobicContact CD2-CD2 3.89Å; L793-L807 HydrophobicContact CD2-CG 4.2Å; L793-L807 WeakPolarHBondContact O-CD2 3.27Å; I796-L807 HydrophobicContact CB-CD2 3.95Å; I796-L807 HydrophobicContact CG2-CD1 4.17Å; I796-L807 HydrophobicContact CG2-CD2 3.74Å; I802-L807 HydrophobicContact CG2-CB 4.43Å; K803-L807 PolarHBondContact O-N 3.4Å; P804-L807 PolarHBondContact O-N 3.44Å; E805-L807 VanDerWaalsContact C-N 3.33Å; L807-T809 VanDerWaalsContact C-N 3.28Å; L807-T809 PolarHBondContact O-N 3.44Å; L807-I810 PolarHBondContact O-N 3.34Å; L807-L811 HydrophobicContact CG-CD1 4.48Å; L807-L811 WeakPolarHBondContact O-CG 3.17Å; L807-L811 PolarHBondContact O-N 3.08Å
808	A	82.2	Confident	84.6	Confident	37 Å²	37	36 Å²	36	31%	0.306	19%	0.191	S	C	.	.	H	α-helix	trans	-63.1	-33.4	173.7	0	0	0	0	0	112.5	P804 E805 A812	P804-A808 PolarHBondContact O-N 3.19Å; E805-A808 WeakPolarHBondContact O-CB 3.39Å; E805-A808 PolarHBondContact O-N 3.05Å; A808-A812 PolarHBondContact O-N 3.04Å; A808-A812 VanDerWaalsContact O-N 3.09Å
809	T	82.5	Confident	83.9	Confident	23 Å²	23	33.8 Å²	33.8	14%	0.141	20%	0.199	C	C	.	.	H	α-helix	trans	-59.2	-48.8	169.8	-63.3	0	0	0	0	112.5	F510 P512 E805 S806 L807 L811 A812 Y813	F510-T809 HydrophobicContact CD1-CG2 4.45Å; F510-T809 HydrophobicContact CE1-CG2 3.88Å; P512-T809 VanDerWaalsContact CG-CA 3.44Å; P512-T809 HydrophobicContact CG-CG2 4.36Å; P512-T809 WeakPolarHBondContact CG-OG1 3.31Å; E805-T809 PolarHBondContact O-N 3.07Å; E805-T809 PolarHBondContact O-OG1 3.06Å; S806-T809 WeakPolarHBondContact O-CB 3.36Å; S806-T809 PolarHBondContact O-N 2.87Å; L807-T809 VanDerWaalsContact C-N 3.28Å; L807-T809 PolarHBondContact O-N 3.44Å; T809-L811 PolarHBondContact O-N 3.02Å; T809-A812 PolarHBondContact O-N 3.32Å; T809-Y813 HydrophobicContact CG2-CD2 4.1Å; T809-Y813 HydrophobicContact CG2-CE1 4.47Å; T809-Y813 HydrophobicContact CG2-CE2 3.55Å; T809-Y813 PolarHBondContact O-N 3Å
810	I	87.9	Confident	83.3	Confident	3 Å²	3	35.3 Å²	35.3	2%	0.015	21%	0.21	C	C	.	.	H	α-helix	trans	-63.6	-43.2	-179.2	-64.1	157.5	0	0	0	110.8	L751 L759 I802 S806 L807 A812 Y813 I814 L958	L751-I810 HydrophobicContact CD1-CD1 3.45Å; L751-I810 VanDerWaalsContact CD1-CD1 3.45Å; L751-I810 HydrophobicContact CG-CD1 4.5Å; L759-I810 HydrophobicContact CD2-CB 4.41Å; L759-I810 HydrophobicContact CD2-CD1 3.94Å; L759-I810 HydrophobicContact CD2-CG2 3.76Å; I802-I810 HydrophobicContact CD1-CD1 3.56Å; S806-I810 WeakPolarHBondContact O-CG1 3.37Å; S806-I810 PolarHBondContact O-N 2.77Å; L807-I810 PolarHBondContact O-N 3.34Å; I810-A812 VanDerWaalsContact C-N 3.3Å; I810-A812 PolarHBondContact O-N 3.24Å; I810-Y813 PolarHBondContact O-N 2.82Å; I810-Y813 VanDerWaalsContact O-N 3.12Å; I810-I814 WeakPolarHBondContact O-CG1 3.45Å; I810-I814 PolarHBondContact O-N 2.96Å; I810-I814 VanDerWaalsContact O-N 3.1Å; I810-L958 HydrophobicContact CG2-CD1 3.95Å; I810-L958 HydrophobicContact CG2-CD2 4.11Å
811	L	87.7	Confident	82.9	Confident	3 Å²	3	36.7 Å²	36.7	2%	0.016	22%	0.22	C	C	.	.	H	α-helix	trans	-60.1	-38.4	176.5	-70.7	170.3	0	0	0	112.7	I763 I791 L793 L807 T809 I814 E815 I823 L825	I763-L811 HydrophobicContact CD1-CD2 3.88Å; I791-L811 HydrophobicContact CD1-CD1 3.95Å; I791-L811 HydrophobicContact CD1-CD2 4.12Å; L793-L811 HydrophobicContact CD2-CD1 3.57Å; L807-L811 HydrophobicContact CG-CD1 4.48Å; L807-L811 WeakPolarHBondContact O-CG 3.17Å; L807-L811 PolarHBondContact O-N 3.08Å; T809-L811 PolarHBondContact O-N 3.02Å; L811-I814 PolarHBondContact O-N 3.38Å; L811-E815 PolarHBondContact O-N 2.69Å; L811-E815 VanDerWaalsContact O-N 3.16Å; L811-I823 HydrophobicContact CD2-CD1 4.04Å; L811-L825 HydrophobicContact CB-CD1 4.19Å; L811-L825 HydrophobicContact CB-CD2 4.11Å
812	A	81.6	Confident	82.8	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.008	22%	0.218	C	C	.	.	H	α-helix	trans	-70.2	-32.1	175.2	0	0	0	0	0	112.8	P512 A808 T809 I810 I814 E815 L816 L825	P512-A812 HydrophobicContact CB-CB 3.73Å; A808-A812 PolarHBondContact O-N 3.04Å; A808-A812 VanDerWaalsContact O-N 3.09Å; T809-A812 PolarHBondContact O-N 3.32Å; I810-A812 VanDerWaalsContact C-N 3.3Å; I810-A812 PolarHBondContact O-N 3.24Å; A812-I814 VanDerWaalsContact C-N 3.34Å; A812-E815 PolarHBondContact O-N 2.98Å; A812-L816 WeakPolarHBondContact O-CG 3.45Å; A812-L816 PolarHBondContact O-N 3.27Å; A812-L816 VanDerWaalsContact O-N 3.08Å; A812-L825 HydrophobicContact CB-CD1 4.38Å
813	Y	85.3	Confident	82.8	Confident	15 Å²	15	36.2 Å²	36.2	6%	0.059	22%	0.217	C	C	.	.	H	α-helix	trans	-65.5	-35.6	171.1	-67.3	-30.4	0	0	0	112.2	F510 T809 I810 L816 E817 Y957 L962	F510-Y813 AromaticContact CE1-CE1 3.58Å; F510-Y813 HydrophobicContact CE1-CE1 3.58Å; F510-Y813 AromaticContact CE1-CZ 3.72Å; F510-Y813 WeakPolarHBondContact CE1-OH 3.35Å; F510-Y813 HydrophobicContact CZ-CD1 4.36Å; F510-Y813 AromaticContact CZ-CE1 3.55Å; F510-Y813 HydrophobicContact CZ-CE1 3.55Å; T809-Y813 HydrophobicContact CG2-CD2 4.1Å; T809-Y813 HydrophobicContact CG2-CE1 4.47Å; T809-Y813 HydrophobicContact CG2-CE2 3.55Å; T809-Y813 PolarHBondContact O-N 3Å; I810-Y813 PolarHBondContact O-N 2.82Å; I810-Y813 VanDerWaalsContact O-N 3.12Å; Y813-L816 CarbonylContact O-C 3.33Å; Y813-L816 PolarHBondContact O-N 3.07Å; Y813-L816 VanDerWaalsContact O-N 3.13Å; Y813-E817 PolarHBondContact O-N 2.92Å; Y813-Y957 WeakPolarHBondContact O-CE1 3.34Å; Y813-L962 HydrophobicContact CE2-CD2 4.24Å
814	I	88	Confident	82.7	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.8	-38	173.2	-54.4	171.2	0	0	0	111	L760 I810 L811 A812 L816 E817 P821 I822 I823 L958	L760-I814 HydrophobicContact CD2-CD1 4.09Å; I810-I814 WeakPolarHBondContact O-CG1 3.45Å; I810-I814 PolarHBondContact O-N 2.96Å; I810-I814 VanDerWaalsContact O-N 3.1Å; L811-I814 PolarHBondContact O-N 3.38Å; A812-I814 VanDerWaalsContact C-N 3.34Å; I814-L816 PolarHBondContact O-N 3.39Å; I814-E817 PolarHBondContact O-N 3.25Å; I814-P821 WeakPolarHBondContact O-CB 3.17Å; I814-I822 HydrophobicContact CG2-CB 3.88Å; I814-I822 HydrophobicContact CG2-CG1 4.16Å; I814-I823 HydrophobicContact CB-CD1 3.99Å; I814-I823 HydrophobicContact CB-CG1 4.13Å; I814-I823 HydrophobicContact CD1-CD1 4.49Å; I814-I823 HydrophobicContact CG2-CD1 4Å; I814-I823 HydrophobicContact CG2-CG1 3.83Å; I814-L958 HydrophobicContact CD1-CD1 4.15Å; I814-L958 HydrophobicContact CG1-CD1 3.92Å; I814-L958 HydrophobicContact CG1-CD2 4.02Å; I814-L958 HydrophobicContact CG1-CG 4.36Å
815	E	83.5	Confident	82.5	Confident	37 Å²	37	33 Å²	33	17%	0.173	20%	0.202	C	C	.	.	H	α-helix	trans	-67	-19.7	172.8	-178.9	170.7	-126.8	0	0	113.1	R516 L811 A812 P821 I823 S824 L825	R516-E815 WeakPolarHBondContact CD-OE2 3.23Å; R516-E815 VanDerWaalsContact CG-OE2 3.29Å; R516-E815 WeakPolarHBondContact CG-OE2 3.11Å; R516-E815 IonicContact CZ-OE2 3.72Å; R516-E815 IonicContact NE-OE1 3.29Å; R516-E815 IonicContact NE-OE2 3.39Å; R516-E815 PolarHBondContact NE-OE2 3.3Å; L811-E815 PolarHBondContact O-N 2.69Å; L811-E815 VanDerWaalsContact O-N 3.16Å; A812-E815 PolarHBondContact O-N 2.98Å; E815-P821 WeakPolarHBondContact O-CB 3.35Å; E815-I823 WeakPolarHBondContact CA-O 3.34Å; E815-S824 WeakPolarHBondContact OE1-CA 3.49Å; E815-L825 HydrophobicContact CB-CD1 4.41Å; E815-L825 PolarHBondContact OE1-N 3.19Å
816	L	79.5	Confident	82.6	Confident	53 Å²	53	27.5 Å²	27.5	28%	0.277	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	21.2	177.7	-67.9	-172.5	0	0	0	114.2	L515 A812 Y813 I814 Y957	L515-L816 HydrophobicContact CB-CD1 4.05Å; L515-L816 HydrophobicContact CD1-CD1 3.31Å; L515-L816 HydrophobicContact CD1-CG 4.44Å; L515-L816 HydrophobicContact CD2-CD1 3.81Å; L515-L816 HydrophobicContact CG-CD1 3.89Å; A812-L816 WeakPolarHBondContact O-CG 3.45Å; A812-L816 PolarHBondContact O-N 3.27Å; A812-L816 VanDerWaalsContact O-N 3.08Å; Y813-L816 CarbonylContact O-C 3.33Å; Y813-L816 PolarHBondContact O-N 3.07Å; Y813-L816 VanDerWaalsContact O-N 3.13Å; I814-L816 PolarHBondContact O-N 3.39Å; L816-Y957 PolarHBondContact O-OH 3.25Å
817	E	82.7	Confident	82.1	Confident	18 Å²	18	28.7 Å²	28.7	8%	0.084	18%	0.181	C	C	.	.			trans	-65.7	125.6	171.1	-167.5	178.8	-174.8	0	0	110	Y813 I814 R950 Y957	Y813-E817 PolarHBondContact O-N 2.92Å; I814-E817 PolarHBondContact O-N 3.25Å; E817-R950 VanDerWaalsContact CD-NH1 3.32Å; E817-R950 IonicContact OE1-CZ 3.63Å; E817-R950 IonicContact OE1-NH1 3.65Å; E817-R950 PolarHBondContact OE1-NH1 3.2Å; E817-R950 IonicContact OE1-NH2 3.49Å; E817-R950 IonicContact OE2-CZ 3.49Å; E817-R950 IonicContact OE2-NH1 3.53Å; E817-R950 PolarHBondContact OE2-NH1 3.02Å; E817-R950 IonicContact OE2-NH2 2.66Å; E817-R950 PolarHBondContact OE2-NH2 3.11Å; E817-Y957 HydrophobicContact CB-CD1 4.29Å; E817-Y957 HydrophobicContact CB-CE1 4.05Å; E817-Y957 HydrophobicContact CG-CD1 3.99Å; E817-Y957 HydrophobicContact CG-CE1 4.17Å; E817-Y957 HydrophobicContact CG-CG 4.22Å
818	P	75.9	Confident	81.9	Confident	99 Å²	99	29.8 Å²	29.8	64%	0.643	19%	0.189	S	C	*	.	S	Bend	trans	-70.1	132.8	-176.6	28	-34.3	0	0	0	111.4	Y957	P818-Y957 HydrophobicContact CG-CE2 4.39Å
819	G	74.5	Confident	81.9	Confident	71 Å²	71	28.3 Å²	28.3	73%	0.732	18%	0.177	S	C	*	.	S	Bend	trans	106.6	-108.7	-172.2	0	0	0	0	0	110.5
820	N	75.6	Confident	82.2	Confident	117 Å²	117	31 Å²	31	63%	0.626	19%	0.185	S	C	*	.	S	Bend	trans	-113.5	108.6	178	-66.6	-25.8	0	0	0	109.4	R950	N820-R950 PolarHBondContact O-NH2 2.94Å
821	P	80.8	Confident	82.2	Confident	35 Å²	35	31.4 Å²	31.4	23%	0.227	19%	0.189	C	C	.	.			trans	-76.1	138.3	177.6	29.6	-34	0	0	0	111.7	I814 E815 I823 H940	I814-P821 WeakPolarHBondContact O-CB 3.17Å; E815-P821 WeakPolarHBondContact O-CB 3.35Å; P821-I823 VanDerWaalsContact C-N 3.26Å; P821-I823 PolarHBondContact O-N 2.93Å; P821-H940 PolarHBondContact O-CD2 2.97Å
822	I	85.7	Confident	82.4	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-58.5	-39.5	-179.2	-49.6	-162	0	0	0	111.7	F764 I814 H940 E943 R950 C954	F764-I822 HydrophobicContact CE1-CG2 3.94Å; F764-I822 HydrophobicContact CZ-CG2 3.81Å; I814-I822 HydrophobicContact CG2-CB 3.88Å; I814-I822 HydrophobicContact CG2-CG1 4.16Å; I822-H940 PolarHBondContact O-N 3.31Å; I822-E943 WeakPolarHBondContact CA-OE2 3.24Å; I822-E943 WeakPolarHBondContact CB-OE2 3.3Å; I822-E943 VanDerWaalsContact CG1-OE2 3.25Å; I822-E943 WeakPolarHBondContact CG1-OE2 3.47Å; I822-E943 WeakPolarHBondContact CG2-OE2 3.46Å; I822-R950 HydrophobicContact CD1-CG 4.13Å; I822-C954 HydrophobicContact CD1-CB 3.66Å
823	I	87.8	Confident	83	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	146.8	-174.9	70	-174.1	0	0	0	112.1	F764 L811 I814 E815 P821 L937 W938 I939	F764-I823 HydrophobicContact CE1-CG2 3.78Å; F764-I823 HydrophobicContact CZ-CG2 3.76Å; L811-I823 HydrophobicContact CD2-CD1 4.04Å; I814-I823 HydrophobicContact CB-CD1 3.99Å; I814-I823 HydrophobicContact CB-CG1 4.13Å; I814-I823 HydrophobicContact CD1-CD1 4.49Å; I814-I823 HydrophobicContact CG2-CD1 4Å; I814-I823 HydrophobicContact CG2-CG1 3.83Å; E815-I823 WeakPolarHBondContact CA-O 3.34Å; P821-I823 VanDerWaalsContact C-N 3.26Å; P821-I823 PolarHBondContact O-N 2.93Å; I823-L937 HydrophobicContact CD1-CD1 4.45Å; I823-L937 HydrophobicContact CD1-CD2 4.39Å; I823-W938 CarbonylContact C-O 3.59Å; I823-W938 VanDerWaalsContact CA-O 3.26Å; I823-W938 WeakPolarHBondContact CA-O 3.15Å; I823-I939 HydrophobicContact CG2-CG1 4.07Å
824	S	83.6	Confident	83.4	Confident	24 Å²	24	33.9 Å²	33.9	17%	0.168	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	130.6	152.2	-64.6	0	0	0	0	109.1	E815 W938 H940	E815-S824 WeakPolarHBondContact OE1-CA 3.49Å; S824-W938 PolarHBondContact N-O 3.48Å; S824-W938 PolarHBondContact O-N 2.83Å; S824-H940 WeakPolarHBondContact CA-NE2 3.37Å; S824-H940 WeakPolarHBondContact CB-NE2 3.46Å; S824-H940 PolarHBondContact N-NE2 3.36Å; S824-H940 PolarHBondContact OG-CE1 2.86Å; S824-H940 PolarHBondContact OG-NE2 3.21Å
825	L	80	Confident	83.6	Confident	19 Å²	19	33.9 Å²	33.9	10%	0.099	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	138.6	178.5	-76.4	163.6	0	0	0	109.7	R516 L811 A812 E815 L937	R516-L825 PolarHBondContact NH2-O 3.24Å; L811-L825 HydrophobicContact CB-CD1 4.19Å; L811-L825 HydrophobicContact CB-CD2 4.11Å; A812-L825 HydrophobicContact CB-CD1 4.38Å; E815-L825 HydrophobicContact CB-CD1 4.41Å; E815-L825 PolarHBondContact OE1-N 3.19Å; L825-L937 HydrophobicContact CD2-CD2 3.4Å; L825-L937 VanDerWaalsContact CD2-CD2 3.4Å
826	L	78.6	Confident	83.9	Confident	14 Å²	14	33.9 Å²	33.9	7%	0.073	20%	0.203	C	C	.	.			trans	-107.6	-168.3	176.5	-51.6	-179.2	0	0	0	110.3	V340 V788 W936 W938	V340-L826 HydrophobicContact CG1-CD1 4.07Å; V340-L826 HydrophobicContact CG1-CD2 3.7Å; V340-L826 HydrophobicContact CG1-CG 4.45Å; V788-L826 HydrophobicContact CG2-CD1 3.81Å; L826-W936 WeakPolarHBondContact CA-O 3.47Å; L826-W936 HydrophobicContact CB-CB 3.94Å; L826-W936 WeakPolarHBondContact CB-O 3.25Å; L826-W936 HydrophobicContact CD1-CB 4.33Å; L826-W936 PolarHBondContact N-O 3.18Å; L826-W938 HydrophobicContact CD1-CB 4.14Å; L826-W938 HydrophobicContact CD2-CB 4.07Å; L826-W938 HydrophobicContact CG-CB 4.23Å
827	H	74.3	Confident	84.4	Confident	34 Å²	34	31.4 Å²	31.4	16%	0.157	19%	0.19	C	C	.	.			trans	-78.6	145.7	172.9	60	-102.7	0	0	0	110.8	D481 N895 W936	D481-H827 IonicContact OD1-CE1 3.49Å; H827-N895 PolarHBondContact NE2-ND2 3.15Å; H827-N895 VanDerWaalsContact NE2-ND2 3.2Å; H827-W936 WeakPolarHBondContact O-CB 3.35Å
828	S	81.4	Confident	84.4	Confident	23 Å²	23	34.4 Å²	34.4	16%	0.161	20%	0.201	C	C	.	.			trans	-71.5	145.5	173.8	-61.8	0	0	0	0	111.5	S934 S935	S828-S934 CarbonylContact C-O 3.6Å; S828-S934 VanDerWaalsContact CA-O 3.29Å; S828-S934 WeakPolarHBondContact CA-O 3.35Å; S828-S934 WeakPolarHBondContact CB-O 3.15Å; S828-S935 PolarHBondContact OG-OG 2.94Å
829	G	82.9	Confident	84.6	Confident	6 Å²	6	31.7 Å²	31.7	6%	0.062	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	-173.2	-173.8	0	0	0	0	0	112.8	W933 S934	G829-W933 CarbonylContact O-C 3.58Å; G829-W933 WeakPolarHBondContact O-CA 3.48Å; G829-S934 PolarHBondContact N-O 3.33Å; G829-S934 PolarHBondContact O-N 3.24Å; G829-S934 PolarHBondContact O-OG 3.04Å
830	Y	88.6	Confident	85	Confident	78 Å²	78	28.8 Å²	28.8	31%	0.306	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	126.5	170	-64.4	-76.6	0	0	0	108.8	L883 F930 W933 W936	Y830-L883 WeakPolarHBondContact O-CD1 3.29Å; Y830-F930 HydrophobicContact CD1-CB 3.77Å; Y830-F930 HydrophobicContact CD2-CB 3.84Å; Y830-F930 HydrophobicContact CD2-CD1 4.07Å; Y830-F930 HydrophobicContact CD2-CG 4.18Å; Y830-F930 HydrophobicContact CE1-CB 3.91Å; Y830-F930 HydrophobicContact CE2-CB 3.99Å; Y830-F930 HydrophobicContact CE2-CG 4.44Å; Y830-F930 HydrophobicContact CG-CB 3.72Å; Y830-F930 HydrophobicContact CG-CD1 4.29Å; Y830-F930 HydrophobicContact CG-CG 4.41Å; Y830-W933 AromaticContact CD1-CE3 3.98Å; Y830-W933 HydrophobicContact CD1-CE3 3.98Å; Y830-W933 HydrophobicContact CD2-CE3 4.16Å; Y830-W933 HydrophobicContact CD2-CZ3 4.14Å; Y830-W933 AromaticContact CE1-CE3 3.83Å; Y830-W933 HydrophobicContact CE1-CE3 3.83Å; Y830-W933 HydrophobicContact CE2-CE3 4.01Å; Y830-W933 AromaticContact CE2-CZ3 3.9Å; Y830-W933 HydrophobicContact CE2-CZ3 3.9Å; Y830-W933 HydrophobicContact CG-CE3 4.15Å; Y830-W933 AromaticContact CZ-CE3 3.84Å; Y830-W936 WeakPolarHBondContact O-CZ2 3.34Å
831	A	88.7	Confident	85.3	Confident	12 Å²	12	27.2 Å²	27.2	10%	0.099	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	-35.1	170	0	0	0	0	0	111.7	A790 L883 P884 H932 S934	A790-A831 HydrophobicContact CB-CB 4.32Å; A831-L883 WeakPolarHBondContact O-CB 3.37Å; A831-L883 PolarHBondContact O-N 2.74Å; A831-P884 WeakPolarHBondContact O-CD 3.43Å; A831-H932 HydrophobicContact CB-CB 4.19Å; A831-H932 PolarHBondContact N-O 3.18Å; A831-S934 WeakPolarHBondContact CB-OG 3.35Å; A831-S934 PolarHBondContact N-OG 2.84Å
832	M	92.2	Very high	85.3	Confident	51 Å²	51	33.6 Å²	33.6	25%	0.251	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	145.1	-167.6	-56.2	-59.6	-95.8	0	0	111.9	T880 L881 N882 S931 H932	M832-T880 HydrophobicContact CE-CG2 3.7Å; M832-L881 WeakPolarHBondContact CA-O 3.15Å; M832-N882 HydrophobicContact CE-CB 4.39Å; M832-N882 HydrophobicContact SD-CB 4Å; M832-S931 WeakPolarHBondContact CB-OG 3.43Å; M832-S931 PolarHBondContact N-O 3.3Å; M832-S931 PolarHBondContact O-N 2.95Å; M832-S931 VanDerWaalsContact O-O 3.13Å; M832-H932 HydrophobicContact CG-CB 4.27Å
833	A	93	Very high	85.3	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	124.9	169.3	0	0	0	0	0	110	L881 L883 L901 F930	A833-L881 PolarHBondContact N-O 3.43Å; A833-L881 VanDerWaalsContact O-CD1 3.31Å; A833-L881 WeakPolarHBondContact O-CD1 3.29Å; A833-L881 PolarHBondContact O-N 3.48Å; A833-L883 HydrophobicContact CB-CD1 4.24Å; A833-L883 HydrophobicContact CB-CD2 4.49Å; A833-L901 HydrophobicContact CB-CD1 3.94Å; A833-F930 HydrophobicContact CB-CD1 3.71Å; A833-F930 HydrophobicContact CB-CE1 3.78Å; A833-F930 HydrophobicContact CB-CG 4.45Å
834	T	93.4	Very high	85.3	Confident	21 Å²	21	35.5 Å²	35.5	13%	0.129	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	121.9	176.4	-55.5	0	0	0	0	110	H836 Q878 L879 T880 I928 D929	T834-H836 VanDerWaalsContact CG2-CE1 3.43Å; T834-H836 WeakPolarHBondContact CG2-CE1 3.23Å; T834-H836 WeakPolarHBondContact CG2-NE2 3.08Å; T834-Q878 HydrophobicContact CG2-CB 4.42Å; T834-L879 CarbonylContact C-O 3.59Å; T834-L879 WeakPolarHBondContact CA-O 3.22Å; T834-T880 WeakPolarHBondContact CG2-OG1 3.36Å; T834-T880 PolarHBondContact OG1-OG1 3.03Å; T834-I928 WeakPolarHBondContact O-CA 3.18Å; T834-D929 PolarHBondContact N-O 3.48Å; T834-D929 PolarHBondContact O-N 3.11Å
835	V	92.5	Very high	85.4	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	115.8	174.8	176.7	0	0	0	0	108	V854 Q878 L879 L881 L901 I926 I928	V835-V854 HydrophobicContact CG2-CG2 4.28Å; V835-Q878 CarbonylContact O-C 3.52Å; V835-Q878 VanDerWaalsContact O-CA 3.28Å; V835-Q878 WeakPolarHBondContact O-CA 3.16Å; V835-L879 PolarHBondContact N-O 3.16Å; V835-L879 PolarHBondContact O-N 3.01Å; V835-L881 HydrophobicContact CB-CD1 4.31Å; V835-L881 HydrophobicContact CG2-CD1 3.6Å; V835-L901 HydrophobicContact CG2-CD2 3.88Å; V835-I926 HydrophobicContact CG1-CG2 3.81Å; V835-I928 HydrophobicContact CG2-CD1 4.06Å; V835-I928 HydrophobicContact CG2-CG1 4.1Å; V835-I928 HydrophobicContact CG2-CG2 4.41Å
836	H	91.4	Very high	85.6	Confident	37 Å²	37	36.4 Å²	36.4	17%	0.171	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	120.2	177	-64.2	-75.6	0	0	0	110.1	T834 Q878 I926 N927 D929	T834-H836 VanDerWaalsContact CG2-CE1 3.43Å; T834-H836 WeakPolarHBondContact CG2-CE1 3.23Å; T834-H836 WeakPolarHBondContact CG2-NE2 3.08Å; H836-Q878 PolarHBondContact CE1-OE1 2.99Å; H836-I926 CarbonylContact O-C 3.42Å; H836-I926 VanDerWaalsContact O-CA 3.31Å; H836-I926 WeakPolarHBondContact O-CA 3.28Å; H836-N927 PolarHBondContact N-O 3.18Å; H836-N927 PolarHBondContact O-N 2.83Å; H836-D929 IonicContact CD2-OD2 3.33Å; H836-D929 PolarHBondContact CD2-OD2 3.42Å; H836-D929 IonicContact NE2-OD2 3.92Å
837	C	89.3	Confident	86.1	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.007	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	90.9	-177.9	-68.5	0	0	0	0	109.7	G839 G840 E843 M844 R877	C837-G839 VanDerWaalsContact C-N 3.3Å; C837-G839 PolarHBondContact O-N 3.43Å; C837-G840 PolarHBondContact O-N 2.67Å; C837-E843 HydrophobicContact CB-CB 3.82Å; C837-M844 HydrophobicContact CB-CB 4.46Å; C837-M844 HydrophobicContact CB-CE 4.3Å; C837-R877 PolarHBondContact N-O 2.98Å
838	Y	83.5	Confident	86.7	Confident	81 Å²	81	34.5 Å²	34.5	32%	0.318	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-22.4	-173.8	-66.5	-58.9	0	0	0	113.8	K294 E843 G925 N927	K294-Y838 HydrophobicContact CD-CE2 4.35Å; K294-Y838 PolarHBondContact NZ-OH 2.9Å; Y838-E843 PolarHBondContact N-OE2 3.07Å; Y838-G925 WeakPolarHBondContact CD2-O 3.35Å; Y838-G925 PolarHBondContact N-O 3.18Å; Y838-N927 HydrophobicContact CE2-CB 4.07Å
839	G	78.8	Confident	86.8	Confident	41 Å²	41	39.3 Å²	39.3	42%	0.423	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	0.5	167.8	0	0	0	0	0	114.3	C837 E843	C837-G839 VanDerWaalsContact C-N 3.3Å; C837-G839 PolarHBondContact O-N 3.43Å; G839-E843 WeakPolarHBondContact CA-OE2 3.34Å; G839-E843 PolarHBondContact N-OE2 3.5Å
840	G	82.4	Confident	86.9	Confident	10 Å²	10	43.9 Å²	43.9	10%	0.103	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	-144.5	174.2	0	0	0	0	0	114.4	C837 Q842 E843 M844	C837-G840 PolarHBondContact O-N 2.67Å; G840-Q842 VanDerWaalsContact C-N 3.33Å; G840-Q842 PolarHBondContact O-N 3.32Å; G840-E843 PolarHBondContact O-N 3.44Å; G840-E843 VanDerWaalsContact O-N 3.14Å; G840-M844 PolarHBondContact O-N 3.35Å
841	Q	82	Confident	87	Confident	85 Å²	85	40.5 Å²	40.5	40%	0.397	20%	0.201	S	C	.	.	H	α-helix	trans	-59.6	-38.5	-166.9	-67.9	176.8	-5	0	0	113.4	E843 M844 A845 Y875	Q841-E843 PolarHBondContact O-N 3.08Å; Q841-M844 PolarHBondContact O-N 3.12Å; Q841-A845 PolarHBondContact O-N 3.26Å; Q841-Y875 HydrophobicContact CB-CD2 4.24Å; Q841-Y875 WeakPolarHBondContact CG-O 3Å
842	Q	81.9	Confident	87	Confident	169 Å²	169	41.6 Å²	41.6	79%	0.79	21%	0.205	S	C	*	.	H	α-helix	trans	-63	-39.3	177.9	-68.4	179.4	-14.9	0	0	112.4	G840 A845 Y846	G840-Q842 VanDerWaalsContact C-N 3.33Å; G840-Q842 PolarHBondContact O-N 3.32Å; Q842-A845 PolarHBondContact O-N 3.43Å; Q842-Y846 WeakPolarHBondContact O-CB 3.26Å; Q842-Y846 PolarHBondContact O-N 3.49Å
843	E	84.9	Confident	86.8	Confident	40 Å²	40	39.4 Å²	39.4	19%	0.187	20%	0.195	C	C	.	.	H	α-helix	trans	-70.9	-34.3	176.3	-74.5	-163.3	146.5	0	0	112.4	C837 Y838 G839 G840 Q841 A847 G925 I926	C837-E843 HydrophobicContact CB-CB 3.82Å; Y838-E843 PolarHBondContact N-OE2 3.07Å; G839-E843 WeakPolarHBondContact CA-OE2 3.34Å; G839-E843 PolarHBondContact N-OE2 3.5Å; G840-E843 PolarHBondContact O-N 3.44Å; G840-E843 VanDerWaalsContact O-N 3.14Å; Q841-E843 PolarHBondContact O-N 3.08Å; E843-A847 WeakPolarHBondContact O-CB 3.46Å; E843-A847 PolarHBondContact O-N 3.47Å; E843-G925 WeakPolarHBondContact OE1-CA 3.03Å; E843-G925 PolarHBondContact OE1-N 3.33Å; E843-G925 VanDerWaalsContact OE2-C 3.24Å; E843-G925 WeakPolarHBondContact OE2-CA 3.31Å; E843-I926 HydrophobicContact CB-CG1 4.12Å
844	M	88.4	Confident	86.7	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-67.4	-42.7	173.9	-170	59.1	75.4	0	0	111.5	C837 G840 Q841 Y846 A847 C848 V854 P876 L879	C837-M844 HydrophobicContact CB-CB 4.46Å; C837-M844 HydrophobicContact CB-CE 4.3Å; G840-M844 PolarHBondContact O-N 3.35Å; Q841-M844 PolarHBondContact O-N 3.12Å; M844-Y846 PolarHBondContact O-N 2.91Å; M844-A847 WeakPolarHBondContact O-CB 3.43Å; M844-A847 PolarHBondContact O-N 2.84Å; M844-A847 VanDerWaalsContact O-N 3.15Å; M844-C848 PolarHBondContact O-N 3.35Å; M844-C848 PolarHBondContact O-SG 2.96Å; M844-V854 HydrophobicContact SD-CG1 3.9Å; M844-P876 WeakPolarHBondContact CE-O 3.48Å; M844-L879 HydrophobicContact CE-CB 3.61Å; M844-L879 HydrophobicContact SD-CB 4.18Å; M844-L879 HydrophobicContact SD-CD2 4.27Å
845	A	84.6	Confident	86.5	Confident	9 Å²	9	38.6 Å²	38.6	7%	0.074	19%	0.19	C	C	.	.	H	α-helix	trans	-61.6	-44.5	175.2	0	0	0	0	0	112.2	C320 Q841 Q842 A847 C848 Q849 Y875	C320-A845 HydrophobicContact CB-CB 4.19Å; Q841-A845 PolarHBondContact O-N 3.26Å; Q842-A845 PolarHBondContact O-N 3.43Å; A845-A847 VanDerWaalsContact C-N 3.32Å; A845-A847 PolarHBondContact O-N 3.47Å; A845-C848 PolarHBondContact O-N 2.96Å; A845-Q849 PolarHBondContact O-N 2.95Å; A845-Q849 VanDerWaalsContact O-N 3.07Å; A845-Y875 HydrophobicContact CB-CD2 4.42Å; A845-Y875 HydrophobicContact CB-CE2 4.32Å
846	Y	85.5	Confident	86.2	Confident	52 Å²	52	38.6 Å²	38.6	20%	0.204	19%	0.19	C	C	.	.	H	α-helix	trans	-58.2	-40.7	171.3	167.8	-79.3	0	0	0	112.5	Q842 M844 Q849 R850 D907 T924 I926	Q842-Y846 WeakPolarHBondContact O-CB 3.26Å; Q842-Y846 PolarHBondContact O-N 3.49Å; M844-Y846 PolarHBondContact O-N 2.91Å; Y846-Q849 PolarHBondContact O-N 3.3Å; Y846-R850 VanDerWaalsContact CE2-CZ 3.48Å; Y846-R850 PolarHBondContact O-N 3.41Å; Y846-R850 VanDerWaalsContact O-N 3.16Å; Y846-R850 VanDerWaalsContact OH-CZ 3.27Å; Y846-R850 PolarHBondContact OH-NE 2.85Å; Y846-R850 PolarHBondContact OH-NH2 2.79Å; Y846-D907 WeakPolarHBondContact OH-CB 3.36Å; Y846-D907 PolarHBondContact OH-OD2 3.05Å; Y846-T924 HydrophobicContact CE1-CG2 4.3Å; Y846-I926 HydrophobicContact CD1-CD1 3.63Å; Y846-I926 HydrophobicContact CE1-CD1 3.81Å
847	A	88.1	Confident	86.1	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.1	-40.9	178	0	0	0	0	0	112	E843 M844 A845 R850 C851 V854 L904 I926	E843-A847 WeakPolarHBondContact O-CB 3.46Å; E843-A847 PolarHBondContact O-N 3.47Å; M844-A847 WeakPolarHBondContact O-CB 3.43Å; M844-A847 PolarHBondContact O-N 2.84Å; M844-A847 VanDerWaalsContact O-N 3.15Å; A845-A847 VanDerWaalsContact C-N 3.32Å; A845-A847 PolarHBondContact O-N 3.47Å; A847-R850 PolarHBondContact O-N 2.69Å; A847-C851 WeakPolarHBondContact O-CB 3.4Å; A847-C851 PolarHBondContact O-N 2.96Å; A847-V854 HydrophobicContact CB-CG1 4.01Å; A847-L904 HydrophobicContact CB-CD1 4.14Å; A847-I926 HydrophobicContact CB-CD1 4.02Å
848	C	87.8	Confident	86.1	Confident	8 Å²	8	37.2 Å²	37.2	5%	0.054	19%	0.185	C	C	.	.	H	α-helix	trans	-64.3	-42	174.9	-64	0	0	0	0	112.6	I322 M844 A845 R850 L858	I322-C848 HydrophobicContact CG1-CB 4.36Å; M844-C848 PolarHBondContact O-N 3.35Å; M844-C848 PolarHBondContact O-SG 2.96Å; A845-C848 PolarHBondContact O-N 2.96Å; C848-R850 PolarHBondContact O-N 3.16Å; C848-L858 WeakPolarHBondContact SG-CD2 3.26Å
849	Q	84.2	Confident	86.2	Confident	125 Å²	125	33.9 Å²	33.9	58%	0.584	17%	0.173	S	C	*	.	H	α-helix	trans	-60.9	-41.2	175.9	-72.6	-176.1	-4.9	0	0	112.7	C320 A845 Y846	C320-Q849 PolarHBondContact SG-NE2 3.48Å; A845-Q849 PolarHBondContact O-N 2.95Å; A845-Q849 VanDerWaalsContact O-N 3.07Å; Y846-Q849 PolarHBondContact O-N 3.3Å
850	R	85	Confident	86.5	Confident	102 Å²	102	32.7 Å²	32.7	39%	0.385	16%	0.157	S	C	.	.	H	α-helix	trans	-84.6	-21.6	-178.5	-88.3	176.5	165.4	72.2	-14.5	114.4	Y846 A847 C848 L904 D907	Y846-R850 VanDerWaalsContact CE2-CZ 3.48Å; Y846-R850 PolarHBondContact O-N 3.41Å; Y846-R850 VanDerWaalsContact O-N 3.16Å; Y846-R850 VanDerWaalsContact OH-CZ 3.27Å; Y846-R850 PolarHBondContact OH-NE 2.85Å; Y846-R850 PolarHBondContact OH-NH2 2.79Å; A847-R850 PolarHBondContact O-N 2.69Å; C848-R850 PolarHBondContact O-N 3.16Å; R850-L904 HydrophobicContact CB-CD2 3.48Å; R850-L904 VanDerWaalsContact CB-CD2 3.48Å; R850-D907 IonicContact CZ-OD1 3.74Å; R850-D907 IonicContact NE-OD1 3.89Å; R850-D907 VanDerWaalsContact NH2-CG 3.27Å; R850-D907 IonicContact NH2-OD1 2.81Å; R850-D907 PolarHBondContact NH2-OD1 3.04Å; R850-D907 IonicContact NH2-OD2 3.18Å; R850-D907 PolarHBondContact NH2-OD2 3.36Å
851	C	89.2	Confident	86.6	Confident	7 Å²	7	35.3 Å²	35.3	5%	0.047	16%	0.164	C	C	.	.			trans	-138.9	108.5	-175.2	-167.9	0	0	0	0	112.4	A847 A853 V854 S855 L904	A847-C851 WeakPolarHBondContact O-CB 3.4Å; A847-C851 PolarHBondContact O-N 2.96Å; C851-A853 PolarHBondContact O-N 2.93Å; C851-A853 VanDerWaalsContact O-N 3.16Å; C851-V854 HydrophobicContact CB-CB 4.38Å; C851-V854 HydrophobicContact CB-CG2 3.87Å; C851-V854 WeakPolarHBondContact O-CB 3.49Å; C851-V854 PolarHBondContact O-N 3.27Å; C851-S855 PolarHBondContact O-N 3.08Å; C851-S855 VanDerWaalsContact O-N 3.12Å; C851-L904 HydrophobicContact CB-CD1 3.83Å; C851-L904 HydrophobicContact CB-CD2 4.08Å; C851-L904 HydrophobicContact CB-CG 4.24Å
852	L	88.6	Confident	86.7	Confident	35 Å²	35	34 Å²	34	18%	0.183	16%	0.157	C	C	.	.	H	α-helix	trans	-54.1	-34.4	176.6	-66.5	164.1	0	0	0	112.9	L154 L323 Y332 V854 S855 G856 W892	L154-L852 HydrophobicContact CB-CD1 4.12Å; L154-L852 HydrophobicContact CD1-CD1 4.28Å; L154-L852 HydrophobicContact CD2-CD1 4.16Å; L154-L852 HydrophobicContact CG-CD1 4.42Å; L323-L852 HydrophobicContact CD1-CD2 3.66Å; Y332-L852 HydrophobicContact CE2-CD1 4.45Å; Y332-L852 VanDerWaalsContact OH-CD1 3.24Å; Y332-L852 WeakPolarHBondContact OH-CD1 3.32Å; L852-V854 VanDerWaalsContact C-N 3.31Å; L852-V854 PolarHBondContact O-N 2.9Å; L852-S855 PolarHBondContact O-N 2.9Å; L852-G856 PolarHBondContact O-N 1.99Å; L852-W892 HydrophobicContact CB-CH2 4.16Å; L852-W892 HydrophobicContact CB-CZ2 4.01Å; L852-W892 VanDerWaalsContact O-CH2 3.24Å; L852-W892 WeakPolarHBondContact O-CH2 3.18Å; L852-W892 VanDerWaalsContact O-CZ3 3.31Å; L852-W892 WeakPolarHBondContact O-CZ3 3.35Å
853	A	89.2	Confident	86.6	Confident	4 Å²	4	28.6 Å²	28.6	3%	0.033	14%	0.138	C	C	.	.	H	α-helix	trans	-61.4	-37.4	175.7	0	0	0	0	0	113.1	C851 A857 L881 L886 W892 V897	C851-A853 PolarHBondContact O-N 2.93Å; C851-A853 VanDerWaalsContact O-N 3.16Å; A853-A857 WeakPolarHBondContact O-CB 3.37Å; A853-A857 PolarHBondContact O-N 2.98Å; A853-A857 VanDerWaalsContact O-N 3.1Å; A853-L881 HydrophobicContact CB-CD2 4.07Å; A853-L881 WeakPolarHBondContact O-CD2 3.49Å; A853-L886 HydrophobicContact CB-CD1 4.19Å; A853-W892 HydrophobicContact CB-CE3 4.17Å; A853-W892 HydrophobicContact CB-CZ3 4.44Å; A853-V897 HydrophobicContact CB-CB 4.48Å; A853-V897 HydrophobicContact CB-CG1 3.56Å; A853-V897 HydrophobicContact CB-CG2 4.19Å
854	V	90.5	Very high	86.2	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-73	-42	174.8	-173.5	0	0	0	0	110	V835 M844 A847 C851 L852 G856 L858 L879 L881 L901 L904	V835-V854 HydrophobicContact CG2-CG2 4.28Å; M844-V854 HydrophobicContact SD-CG1 3.9Å; A847-V854 HydrophobicContact CB-CG1 4.01Å; C851-V854 HydrophobicContact CB-CB 4.38Å; C851-V854 HydrophobicContact CB-CG2 3.87Å; C851-V854 WeakPolarHBondContact O-CB 3.49Å; C851-V854 PolarHBondContact O-N 3.27Å; L852-V854 VanDerWaalsContact C-N 3.31Å; L852-V854 PolarHBondContact O-N 2.9Å; V854-G856 PolarHBondContact O-N 2.82Å; V854-L858 VanDerWaalsContact O-CB 3.28Å; V854-L858 WeakPolarHBondContact O-CB 3.36Å; V854-L858 PolarHBondContact O-N 2.95Å; V854-L879 HydrophobicContact CG1-CD2 3.9Å; V854-L881 HydrophobicContact CG2-CD2 4.3Å; V854-L901 HydrophobicContact CG2-CD2 3.61Å; V854-L904 HydrophobicContact CG2-CD1 3.86Å
855	S	88	Confident	85.4	Confident	4 Å²	4	36.5 Å²	36.5	3%	0.028	18%	0.175	C	C	.	.	H	α-helix	trans	-59.3	-45	174.9	-167.1	0	0	0	0	112.4	C851 L852 L858 S859	C851-S855 PolarHBondContact O-N 3.08Å; C851-S855 VanDerWaalsContact O-N 3.12Å; L852-S855 PolarHBondContact O-N 2.9Å; S855-L858 PolarHBondContact O-N 2.82Å; S855-S859 PolarHBondContact O-N 2.92Å; S855-S859 PolarHBondContact O-OG 2.82Å
856	G	87.6	Confident	84.2	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-69.2	-42.7	179.8	0	0	0	0	0	113.3	L328 L852 V854 L858 S859 L860	L328-G856 VanDerWaalsContact CD1-CA 3.49Å; L852-G856 PolarHBondContact O-N 1.99Å; V854-G856 PolarHBondContact O-N 2.82Å; G856-L858 VanDerWaalsContact C-N 3.29Å; G856-L858 PolarHBondContact O-N 2.81Å; G856-S859 PolarHBondContact O-N 3.31Å; G856-L860 WeakPolarHBondContact O-CG 3.5Å; G856-L860 PolarHBondContact O-N 3.03Å
857	A	88.4	Confident	82.8	Confident	8 Å²	8	47.4 Å²	47.4	7%	0.066	23%	0.231	C	C	.	.	H	α-helix	trans	-63	-35.7	173.3	0	0	0	0	0	112.5	A853 L860 W861 L879 L881 L886	A853-A857 WeakPolarHBondContact O-CB 3.37Å; A853-A857 PolarHBondContact O-N 2.98Å; A853-A857 VanDerWaalsContact O-N 3.1Å; A857-L860 PolarHBondContact O-N 2.96Å; A857-W861 WeakPolarHBondContact O-CB 3.24Å; A857-W861 PolarHBondContact O-N 3.29Å; A857-L879 HydrophobicContact CB-CD2 3.99Å; A857-L879 HydrophobicContact CB-CG 4.41Å; A857-L881 HydrophobicContact CB-CB 4.35Å; A857-L881 HydrophobicContact CB-CD2 4.23Å; A857-L881 HydrophobicContact CB-CG 3.66Å; A857-L886 HydrophobicContact CB-CD1 4.49Å; A857-L886 HydrophobicContact CB-CD2 4.3Å
858	L	88.8	Confident	81	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-70.5	-38.3	175.8	-176.1	63.8	0	0	0	112.1	I322 C848 V854 S855 G856 W861 K862 Y875 P876 L879	I322-L858 HydrophobicContact CD1-CD2 3.77Å; C848-L858 WeakPolarHBondContact SG-CD2 3.26Å; V854-L858 VanDerWaalsContact O-CB 3.28Å; V854-L858 WeakPolarHBondContact O-CB 3.36Å; V854-L858 PolarHBondContact O-N 2.95Å; S855-L858 PolarHBondContact O-N 2.82Å; G856-L858 VanDerWaalsContact C-N 3.29Å; G856-L858 PolarHBondContact O-N 2.81Å; L858-W861 HydrophobicContact CD1-CE3 3.78Å; L858-W861 HydrophobicContact CD1-CZ3 4.27Å; L858-W861 PolarHBondContact O-N 3Å; L858-K862 PolarHBondContact O-N 2.97Å; L858-Y875 HydrophobicContact CD1-CD1 4.29Å; L858-Y875 HydrophobicContact CD2-CD1 3.65Å; L858-Y875 HydrophobicContact CD2-CE1 3.88Å; L858-Y875 HydrophobicContact CG-CD1 4.46Å; L858-P876 HydrophobicContact CD1-CG 4.21Å; L858-L879 HydrophobicContact CB-CD2 3.93Å; L858-L879 HydrophobicContact CD1-CD1 4.44Å
859	S	85.7	Confident	78.9	Confident	11 Å²	11	58.3 Å²	58.3	8%	0.077	29%	0.293	C	S	.	.	H	α-helix	trans	-65.9	-36.7	174	-68.8	0	0	0	0	112.3	L323 S855 G856 S863	L323-S859 PolarHBondContact O-OG 2.95Å; L323-S859 VanDerWaalsContact O-OG 3.05Å; S855-S859 PolarHBondContact O-N 2.92Å; S855-S859 PolarHBondContact O-OG 2.82Å; G856-S859 PolarHBondContact O-N 3.31Å; S859-S863 WeakPolarHBondContact O-CB 3.35Å; S859-S863 PolarHBondContact O-N 2.81Å
860	L	85	Confident	76.9	Confident	16 Å²	16	62.1 Å²	62.1	8%	0.084	31%	0.311	C	S	.	.	H	α-helix	trans	-64.4	-50.6	170.7	-72.5	166.4	0	0	0	111.4	L325 G856 A857 K862 S863 E864 Q885 L886 W890	L325-L860 HydrophobicContact CD1-CD2 3.8Å; L325-L860 HydrophobicContact CD1-CG 4.03Å; G856-L860 WeakPolarHBondContact O-CG 3.5Å; G856-L860 PolarHBondContact O-N 3.03Å; A857-L860 PolarHBondContact O-N 2.96Å; L860-K862 VanDerWaalsContact C-N 3.33Å; L860-K862 PolarHBondContact O-N 3.13Å; L860-S863 CarbonylContact O-C 3.4Å; L860-S863 WeakPolarHBondContact O-CA 3.44Å; L860-S863 WeakPolarHBondContact O-CB 3.4Å; L860-S863 PolarHBondContact O-N 2.83Å; L860-E864 PolarHBondContact O-N 3.49Å; L860-Q885 HydrophobicContact CD1-CG 4.49Å; L860-L886 HydrophobicContact CD1-CD2 4.1Å; L860-W890 HydrophobicContact CD1-CH2 3.98Å; L860-W890 HydrophobicContact CD1-CZ3 3.95Å; L860-W890 HydrophobicContact CG-CH2 4.02Å; L860-W890 HydrophobicContact CG-CZ3 4.48Å
861	W	85.4	Confident	75.1	Confident	66 Å²	66	62.3 Å²	62.3	25%	0.25	32%	0.324	C	S	.	.	H	α-helix	trans	-58	-41.4	178	178	81.7	0	0	0	112.8	A857 L858 E864 Q865 P876 L879	A857-W861 WeakPolarHBondContact O-CB 3.24Å; A857-W861 PolarHBondContact O-N 3.29Å; L858-W861 HydrophobicContact CD1-CE3 3.78Å; L858-W861 HydrophobicContact CD1-CZ3 4.27Å; L858-W861 PolarHBondContact O-N 3Å; W861-E864 PolarHBondContact O-N 2.95Å; W861-Q865 VanDerWaalsContact CZ2-CD 3.41Å; W861-Q865 HydrophobicContact CZ2-CG 4.35Å; W861-Q865 VanDerWaalsContact CZ2-OE1 3.31Å; W861-Q865 PolarHBondContact O-N 2.66Å; W861-P876 HydrophobicContact CD2-CG 4.21Å; W861-P876 HydrophobicContact CE3-CG 4.16Å; W861-P876 HydrophobicContact CH2-CB 4.01Å; W861-P876 HydrophobicContact CH2-CG 3.84Å; W861-P876 HydrophobicContact CZ2-CB 3.86Å; W861-P876 HydrophobicContact CZ2-CG 3.88Å; W861-P876 HydrophobicContact CZ3-CG 3.99Å; W861-L879 HydrophobicContact CB-CD1 4.01Å; W861-L879 HydrophobicContact CG-CD1 4.14Å
862	K	83.5	Confident	73.3	Confident	57 Å²	57	69 Å²	69	25%	0.248	36%	0.357	C	S	.	.	H	α-helix	trans	-62.2	-42.6	171.8	-79.2	-163.5	172.2	-167.4	0	111.8	L858 L860 E864 Q865 T866 N873	L858-K862 PolarHBondContact O-N 2.97Å; L860-K862 VanDerWaalsContact C-N 3.33Å; L860-K862 PolarHBondContact O-N 3.13Å; K862-E864 VanDerWaalsContact C-N 3.29Å; K862-E864 PolarHBondContact O-N 2.88Å; K862-Q865 PolarHBondContact O-N 2.84Å; K862-T866 WeakPolarHBondContact O-CG2 3.28Å; K862-T866 PolarHBondContact O-N 2.93Å; K862-T866 PolarHBondContact O-OG1 3.36Å; K862-N873 PolarHBondContact NZ-OD1 3.24Å
863	S	79.2	Confident	71.9	Confident	56 Å²	56	72.9 Å²	72.9	39%	0.392	38%	0.378	S	S	.	.	H	α-helix	trans	-65.6	-29.8	178.7	-168.5	0	0	0	0	113.4	S859 L860 T866	S859-S863 WeakPolarHBondContact O-CB 3.35Å; S859-S863 PolarHBondContact O-N 2.81Å; L860-S863 CarbonylContact O-C 3.4Å; L860-S863 WeakPolarHBondContact O-CA 3.44Å; L860-S863 WeakPolarHBondContact O-CB 3.4Å; L860-S863 PolarHBondContact O-N 2.83Å; S863-T866 WeakPolarHBondContact CA-OG1 3.44Å; S863-T866 PolarHBondContact O-OG1 2.83Å
864	E	77.2	Confident	71.1	Confident	116 Å²	116	78.5 Å²	78.5	54%	0.542	40%	0.404	S	S	.	.	H	α-helix	trans	-70	-47.3	171.5	-70.9	170	179	0	0	110.5	L860 W861 K862 T866	L860-E864 PolarHBondContact O-N 3.49Å; W861-E864 PolarHBondContact O-N 2.95Å; K862-E864 VanDerWaalsContact C-N 3.29Å; K862-E864 PolarHBondContact O-N 2.88Å; E864-T866 PolarHBondContact O-N 3.4Å
865	Q	71.2	Confident	70.6	Confident	90 Å²	90	80.4 Å²	80.4	42%	0.421	41%	0.411	S	S	.	.	H	α-helix	trans	-67.3	-30.4	179.6	-71.8	-155.5	-39.2	0	0	114.7	W861 K862 K867 D868	W861-Q865 VanDerWaalsContact CZ2-CD 3.41Å; W861-Q865 HydrophobicContact CZ2-CG 4.35Å; W861-Q865 VanDerWaalsContact CZ2-OE1 3.31Å; W861-Q865 PolarHBondContact O-N 2.66Å; K862-Q865 PolarHBondContact O-N 2.84Å; Q865-K867 PolarHBondContact O-N 2.99Å; Q865-D868 CarbonylContact O-C 3.49Å; Q865-D868 PolarHBondContact O-N 2.9Å
866	T	59.3	Low	70.4	Confident	112 Å²	112	81.3 Å²	81.3	69%	0.687	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-4.7	-179.1	41.4	0	0	0	0	115.5	K862 S863 E864	K862-T866 WeakPolarHBondContact O-CG2 3.28Å; K862-T866 PolarHBondContact O-N 2.93Å; K862-T866 PolarHBondContact O-OG1 3.36Å; S863-T866 WeakPolarHBondContact CA-OG1 3.44Å; S863-T866 PolarHBondContact O-OG1 2.83Å; E864-T866 PolarHBondContact O-N 3.4Å
867	K	56.4	Low	70.2	Confident	177 Å²	177	90.4 Å²	90.4	77%	0.77	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-30.5	169.8	-65.7	177.2	-179.3	174	0	112.9	Q865	Q865-K867 PolarHBondContact O-N 2.99Å
868	D	50.3	Low	70.2	Confident	130 Å²	130	95.9 Å²	95.9	70%	0.695	48%	0.475	S	S	*	.	S	Bend	trans	-120.6	94.8	-174.8	-72.3	-51.2	0	0	0	111.1	Q865	Q865-D868 CarbonylContact O-C 3.49Å; Q865-D868 PolarHBondContact O-N 2.9Å
869	T	44.4	Very low	70.4	Confident	107 Å²	107	96 Å²	96	66%	0.656	48%	0.476	S	S	*	.			trans	72.8	135.8	175.2	73.8	0	0	0	0	117.7	T871	T869-T871 PolarHBondContact O-N 2.64Å
870	Q	43.1	Very low	70.6	Confident	206 Å²	206	98.9 Å²	98.9	96%	0.963	49%	0.494	S	S	*	.			trans	-75.6	86.4	170.4	-66.9	177.3	-7	0	0	109.9
871	T	45.3	Very low	71	Confident	106 Å²	106	98.1 Å²	98.1	65%	0.65	49%	0.49	S	S	*	.			trans	-107.5	160.6	176.2	46.1	0	0	0	0	112.8	T869	T869-T871 PolarHBondContact O-N 2.64Å
872	I	51.6	Low	71.2	Confident	146 Å²	146	97.6 Å²	97.6	75%	0.749	49%	0.492	S	S	*	.			trans	-67	165.8	-165	-66.7	159.6	0	0	0	111.3	E874	I872-E874 HydrophobicContact CG2-CG 4.45Å; I872-E874 PolarHBondContact O-N 3.32Å
873	N	60.6	Low	71.5	Confident	117 Å²	117	95.2 Å²	95.2	63%	0.626	48%	0.481	S	S	*	.	S	Bend	trans	-63.5	31.5	-176.9	-104.4	-40.1	0	0	0	116.3	K862	K862-N873 PolarHBondContact NZ-OD1 3.24Å
874	E	72.5	Confident	71.9	Confident	122 Å²	122	93 Å²	93	57%	0.57	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-71.4	130.5	-179	-61	-155.1	178.8	0	0	112.7	I872	I872-E874 HydrophobicContact CG2-CG 4.45Å; I872-E874 PolarHBondContact O-N 3.32Å
875	Y	79.5	Confident	72.3	Confident	41 Å²	41	89.8 Å²	89.8	16%	0.161	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-91	136.6	171.7	-57.7	-57.7	0	0	0	111.3	I322 Q841 A845 L858	I322-Y875 HydrophobicContact CD1-CD1 4.46Å; I322-Y875 HydrophobicContact CD1-CE1 3.44Å; I322-Y875 VanDerWaalsContact CD1-CE1 3.44Å; I322-Y875 WeakPolarHBondContact CD1-OH 3.37Å; Q841-Y875 HydrophobicContact CB-CD2 4.24Å; Q841-Y875 WeakPolarHBondContact CG-O 3Å; A845-Y875 HydrophobicContact CB-CD2 4.42Å; A845-Y875 HydrophobicContact CB-CE2 4.32Å; L858-Y875 HydrophobicContact CD1-CD1 4.29Å; L858-Y875 HydrophobicContact CD2-CD1 3.65Å; L858-Y875 HydrophobicContact CD2-CE1 3.88Å; L858-Y875 HydrophobicContact CG-CD1 4.46Å
876	P	83.1	Confident	73.1	Confident	23 Å²	23	85.6 Å²	85.6	15%	0.149	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-70.6	144	-178.1	31.3	-35.3	0	0	0	110.4	M844 L858 W861 Q878	M844-P876 WeakPolarHBondContact CE-O 3.48Å; L858-P876 HydrophobicContact CD1-CG 4.21Å; W861-P876 HydrophobicContact CD2-CG 4.21Å; W861-P876 HydrophobicContact CE3-CG 4.16Å; W861-P876 HydrophobicContact CH2-CB 4.01Å; W861-P876 HydrophobicContact CH2-CG 3.84Å; W861-P876 HydrophobicContact CZ2-CB 3.86Å; W861-P876 HydrophobicContact CZ2-CG 3.88Å; W861-P876 HydrophobicContact CZ3-CG 3.99Å; P876-Q878 WeakPolarHBondContact CB-O 3.39Å; P876-Q878 PolarHBondContact O-N 2.99Å
877	R	84.7	Confident	74.3	Confident	191 Å²	191	80.5 Å²	80.5	72%	0.721	40%	0.4	S	S	*	.	S	Bend	trans	-70.6	-11.4	177.7	-59.4	-171.3	-177.2	178.9	1.1	113.5	C837	C837-R877 PolarHBondContact N-O 2.98Å
878	Q	88.4	Confident	75.6	Confident	122 Å²	122	72.3 Å²	72.3	57%	0.57	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.5	136.8	173.1	64.7	-172.7	7.2	0	0	109.3	T834 V835 H836 P876	T834-Q878 HydrophobicContact CG2-CB 4.42Å; V835-Q878 CarbonylContact O-C 3.52Å; V835-Q878 VanDerWaalsContact O-CA 3.28Å; V835-Q878 WeakPolarHBondContact O-CA 3.16Å; H836-Q878 PolarHBondContact CE1-OE1 2.99Å; P876-Q878 WeakPolarHBondContact CB-O 3.39Å; P876-Q878 PolarHBondContact O-N 2.99Å
879	L	91.2	Very high	77.2	Confident	5 Å²	5	66.8 Å²	66.8	3%	0.026	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	129.8	176.3	-177.9	69.7	0	0	0	108.7	T834 V835 M844 V854 A857 L858 W861 L881	T834-L879 CarbonylContact C-O 3.59Å; T834-L879 WeakPolarHBondContact CA-O 3.22Å; V835-L879 PolarHBondContact N-O 3.16Å; V835-L879 PolarHBondContact O-N 3.01Å; M844-L879 HydrophobicContact CE-CB 3.61Å; M844-L879 HydrophobicContact SD-CB 4.18Å; M844-L879 HydrophobicContact SD-CD2 4.27Å; V854-L879 HydrophobicContact CG1-CD2 3.9Å; A857-L879 HydrophobicContact CB-CD2 3.99Å; A857-L879 HydrophobicContact CB-CG 4.41Å; L858-L879 HydrophobicContact CB-CD2 3.93Å; L858-L879 HydrophobicContact CD1-CD1 4.44Å; W861-L879 HydrophobicContact CB-CD1 4.01Å; W861-L879 HydrophobicContact CG-CD1 4.14Å; L879-L881 HydrophobicContact CG-CD1 4.41Å
880	T	91.9	Very high	79	Confident	71 Å²	71	62 Å²	62	44%	0.436	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	121.7	177.5	-62.3	0	0	0	0	109.7	M832 T834	M832-T880 HydrophobicContact CE-CG2 3.7Å; T834-T880 WeakPolarHBondContact CG2-OG1 3.36Å; T834-T880 PolarHBondContact OG1-OG1 3.03Å
881	L	92.1	Very high	80.9	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	121.2	-178.8	-65.1	79.3	0	0	0	109.4	M832 A833 V835 A853 V854 A857 L879 L883 L886 L901	M832-L881 WeakPolarHBondContact CA-O 3.15Å; A833-L881 PolarHBondContact N-O 3.43Å; A833-L881 VanDerWaalsContact O-CD1 3.31Å; A833-L881 WeakPolarHBondContact O-CD1 3.29Å; A833-L881 PolarHBondContact O-N 3.48Å; V835-L881 HydrophobicContact CB-CD1 4.31Å; V835-L881 HydrophobicContact CG2-CD1 3.6Å; A853-L881 HydrophobicContact CB-CD2 4.07Å; A853-L881 WeakPolarHBondContact O-CD2 3.49Å; V854-L881 HydrophobicContact CG2-CD2 4.3Å; A857-L881 HydrophobicContact CB-CB 4.35Å; A857-L881 HydrophobicContact CB-CD2 4.23Å; A857-L881 HydrophobicContact CB-CG 3.66Å; L879-L881 HydrophobicContact CG-CD1 4.41Å; L881-L883 HydrophobicContact CB-CD2 4.26Å; L881-L883 PolarHBondContact O-N 3.3Å; L881-L886 HydrophobicContact CB-CD1 4Å; L881-L886 HydrophobicContact CD2-CD1 3.92Å; L881-L886 HydrophobicContact CG-CD1 4.32Å; L881-L901 HydrophobicContact CD2-CD1 4.35Å; L881-L901 HydrophobicContact CD2-CD2 4.06Å
882	N	90.2	Very high	82.7	Confident	55 Å²	55	48.9 Å²	48.9	29%	0.294	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	98.3	168.8	178.7	-15.5	0	0	0	109.1	M832 P884 Q885 L886	M832-N882 HydrophobicContact CE-CB 4.39Å; M832-N882 HydrophobicContact SD-CB 4Å; N882-P884 VanDerWaalsContact OD1-CD 3.29Å; N882-P884 WeakPolarHBondContact OD1-CD 3.04Å; N882-Q885 HydrophobicContact CB-CB 3.86Å; N882-Q885 PolarHBondContact ND2-OE1 2.71Å; N882-Q885 VanDerWaalsContact ND2-OE1 3.14Å; N882-Q885 PolarHBondContact O-N 3.36Å; N882-Q885 PolarHBondContact OD1-N 2.9Å; N882-Q885 VanDerWaalsContact OD1-N 3.15Å; N882-L886 WeakPolarHBondContact O-CG 3.49Å; N882-L886 PolarHBondContact O-N 2.96Å
883	L	90.1	Very high	84.1	Confident	6 Å²	6	46.3 Å²	46.3	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-64.2	-39.4	-171.8	-60	178.2	0	0	0	113.1	Y830 A831 A833 L881 L886 F887 V897 W936	Y830-L883 WeakPolarHBondContact O-CD1 3.29Å; A831-L883 WeakPolarHBondContact O-CB 3.37Å; A831-L883 PolarHBondContact O-N 2.74Å; A833-L883 HydrophobicContact CB-CD1 4.24Å; A833-L883 HydrophobicContact CB-CD2 4.49Å; L881-L883 HydrophobicContact CB-CD2 4.26Å; L881-L883 PolarHBondContact O-N 3.3Å; L883-L886 HydrophobicContact CD2-CD1 4.35Å; L883-F887 WeakPolarHBondContact O-CB 3.44Å; L883-F887 PolarHBondContact O-N 2.78Å; L883-V897 HydrophobicContact CD2-CG1 3.65Å; L883-W936 HydrophobicContact CB-CH2 4.01Å; L883-W936 HydrophobicContact CB-CZ2 4.13Å
884	P	87.6	Confident	84.9	Confident	9 Å²	9	41.5 Å²	41.5	6%	0.058	20%	0.198	C	C	.	.	H	α-helix	trans	-57.6	-44.5	168.4	-27.9	34.6	0	0	0	114.3	V788 A790 A831 N882 F887 N888 W936	V788-P884 HydrophobicContact CG1-CB 4.14Å; A790-P884 HydrophobicContact CB-CB 4.48Å; A790-P884 HydrophobicContact CB-CG 3.58Å; A831-P884 WeakPolarHBondContact O-CD 3.43Å; N882-P884 VanDerWaalsContact OD1-CD 3.29Å; N882-P884 WeakPolarHBondContact OD1-CD 3.04Å; P884-F887 WeakPolarHBondContact O-CB 3.46Å; P884-F887 PolarHBondContact O-N 3.04Å; P884-N888 WeakPolarHBondContact O-CB 3.02Å; P884-N888 VanDerWaalsContact O-CG 3.28Å; P884-N888 PolarHBondContact O-N 3.49Å; P884-N888 PolarHBondContact O-ND2 3Å; P884-W936 HydrophobicContact CB-CH2 4.37Å; P884-W936 HydrophobicContact CG-CH2 3.76Å; P884-W936 HydrophobicContact CG-CZ2 3.66Å; P884-W936 HydrophobicContact CG-CZ3 4.37Å
885	Q	85.9	Confident	85.1	Confident	49 Å²	49	36.7 Å²	36.7	23%	0.229	18%	0.176	C	C	.	.	H	α-helix	trans	-64.6	-43.5	179.4	-176.9	-177.7	7	0	0	111.8	L860 N882 F887 N888 R889	L860-Q885 HydrophobicContact CD1-CG 4.49Å; N882-Q885 HydrophobicContact CB-CB 3.86Å; N882-Q885 PolarHBondContact ND2-OE1 2.71Å; N882-Q885 VanDerWaalsContact ND2-OE1 3.14Å; N882-Q885 PolarHBondContact O-N 3.36Å; N882-Q885 PolarHBondContact OD1-N 2.9Å; N882-Q885 VanDerWaalsContact OD1-N 3.15Å; Q885-F887 VanDerWaalsContact C-N 3.3Å; Q885-F887 PolarHBondContact O-N 3.23Å; Q885-N888 PolarHBondContact O-N 3.43Å; Q885-R889 PolarHBondContact O-N 3.31Å
886	L	86.9	Confident	85.2	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-62.6	-36.8	173.9	-64.6	-178.5	0	0	0	112.2	A853 A857 L860 L881 N882 L883 W890 W892	A853-L886 HydrophobicContact CB-CD1 4.19Å; A857-L886 HydrophobicContact CB-CD1 4.49Å; A857-L886 HydrophobicContact CB-CD2 4.3Å; L860-L886 HydrophobicContact CD1-CD2 4.1Å; L881-L886 HydrophobicContact CB-CD1 4Å; L881-L886 HydrophobicContact CD2-CD1 3.92Å; L881-L886 HydrophobicContact CG-CD1 4.32Å; N882-L886 WeakPolarHBondContact O-CG 3.49Å; N882-L886 PolarHBondContact O-N 2.96Å; L883-L886 HydrophobicContact CD2-CD1 4.35Å; L886-W890 HydrophobicContact CD2-CE3 3.89Å; L886-W890 HydrophobicContact CD2-CZ3 3.52Å; L886-W890 PolarHBondContact O-N 3.04Å; L886-W890 VanDerWaalsContact O-N 3.16Å; L886-W892 HydrophobicContact CB-CE3 4.25Å; L886-W892 HydrophobicContact CD2-CE3 4.47Å; L886-W892 HydrophobicContact CD2-CZ3 4.22Å
887	F	85.1	Confident	85.4	Confident	6 Å²	6	36.6 Å²	36.6	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-67.5	-46.5	175.5	-174.3	-101.5	0	0	0	111.9	A335 V340 V788 L883 P884 Q885 R889 G891 K893	A335-F887 HydrophobicContact CB-CD1 3.76Å; A335-F887 HydrophobicContact CB-CE1 3.2Å; A335-F887 HydrophobicContact CB-CE2 4.03Å; A335-F887 HydrophobicContact CB-CG 4.39Å; A335-F887 HydrophobicContact CB-CZ 3.34Å; A335-F887 WeakPolarHBondContact CB-O 3.37Å; V340-F887 HydrophobicContact CG2-CE1 3.58Å; V340-F887 HydrophobicContact CG2-CZ 3.51Å; V788-F887 HydrophobicContact CB-CD1 4.06Å; V788-F887 HydrophobicContact CG2-CD1 3.39Å; V788-F887 HydrophobicContact CG2-CE1 3.52Å; L883-F887 WeakPolarHBondContact O-CB 3.44Å; L883-F887 PolarHBondContact O-N 2.78Å; P884-F887 WeakPolarHBondContact O-CB 3.46Å; P884-F887 PolarHBondContact O-N 3.04Å; Q885-F887 VanDerWaalsContact C-N 3.3Å; Q885-F887 PolarHBondContact O-N 3.23Å; F887-R889 PolarHBondContact O-N 3.06Å; F887-G891 WeakPolarHBondContact O-CA 3.43Å; F887-G891 PolarHBondContact O-N 3.44Å; F887-K893 HydrophobicContact CE2-CG 4.08Å
888	N	83.6	Confident	85.4	Confident	4 Å²	4	30.2 Å²	30.2	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-63.2	-39.4	179.2	-71.9	-18.3	0	0	0	112.8	P334 T770 V788 P884 Q885	P334-N888 VanDerWaalsContact CA-O 3.32Å; P334-N888 WeakPolarHBondContact CA-O 3.45Å; P334-N888 WeakPolarHBondContact CB-O 3.48Å; T770-N888 PolarHBondContact OG1-ND2 2.99Å; V788-N888 WeakPolarHBondContact CB-OD1 3.5Å; V788-N888 PolarHBondContact N-OD1 2.95Å; V788-N888 PolarHBondContact O-ND2 2.99Å; P884-N888 WeakPolarHBondContact O-CB 3.02Å; P884-N888 VanDerWaalsContact O-CG 3.28Å; P884-N888 PolarHBondContact O-N 3.49Å; P884-N888 PolarHBondContact O-ND2 3Å; Q885-N888 PolarHBondContact O-N 3.43Å
889	R	82.8	Confident	85.3	Confident	15 Å²	15	29.7 Å²	29.7	6%	0.057	15%	0.154	C	C	.	.	H	α-helix	trans	-78.4	-38.1	-177.4	-160.4	175.5	-175.6	111.5	8	113.5	D329 E775 Q885 F887	D329-R889 IonicContact OD1-CZ 3.5Å; D329-R889 IonicContact OD1-NE 2.01Å; D329-R889 PolarHBondContact OD1-NE 2.89Å; D329-R889 IonicContact OD1-NH2 3.99Å; D329-R889 IonicContact OD2-CZ 3.1Å; D329-R889 IonicContact OD2-NE 3.63Å; D329-R889 PolarHBondContact OD2-NE 3.05Å; D329-R889 IonicContact OD2-NH2 3.02Å; D329-R889 PolarHBondContact OD2-NH2 2.81Å; E775-R889 IonicContact OE1-CZ 3.82Å; E775-R889 IonicContact OE1-NH1 3.52Å; E775-R889 PolarHBondContact OE1-NH1 3.34Å; E775-R889 IonicContact OE1-NH2 3.37Å; E775-R889 IonicContact OE2-CZ 2.63Å; E775-R889 VanDerWaalsContact OE2-CZ 3.26Å; E775-R889 IonicContact OE2-NH1 2.61Å; E775-R889 PolarHBondContact OE2-NH1 3.29Å; E775-R889 IonicContact OE2-NH2 3.74Å; E775-R889 PolarHBondContact OE2-NH2 2.97Å; Q885-R889 PolarHBondContact O-N 3.31Å; F887-R889 PolarHBondContact O-N 3.06Å
890	W	83.7	Confident	85.1	Confident	5 Å²	5	32 Å²	32	2%	0.019	17%	0.165	C	C	.	.	H	α-helix	trans	-134.8	8.5	-167.1	-60.3	-51.8	0	0	0	116	L325 L328 D329 F333 L860 L886 W892	L325-W890 HydrophobicContact CD1-CH2 3.85Å; L325-W890 HydrophobicContact CD1-CZ2 3.74Å; L328-W890 HydrophobicContact CB-CZ2 3.78Å; L328-W890 HydrophobicContact CD1-CH2 3.99Å; L328-W890 HydrophobicContact CD1-CZ2 3.85Å; L328-W890 HydrophobicContact CG-CZ2 4.47Å; D329-W890 PolarHBondContact OD1-NE1 3.44Å; F333-W890 CarbonylContact O-C 3.59Å; F333-W890 WeakPolarHBondContact O-CA 3.47Å; L860-W890 HydrophobicContact CD1-CH2 3.98Å; L860-W890 HydrophobicContact CD1-CZ3 3.95Å; L860-W890 HydrophobicContact CG-CH2 4.02Å; L860-W890 HydrophobicContact CG-CZ3 4.48Å; L886-W890 HydrophobicContact CD2-CE3 3.89Å; L886-W890 HydrophobicContact CD2-CZ3 3.52Å; L886-W890 PolarHBondContact O-N 3.04Å; L886-W890 VanDerWaalsContact O-N 3.16Å; W890-W892 HydrophobicContact CB-CD2 3.76Å; W890-W892 VanDerWaalsContact CB-CE2 3.49Å; W890-W892 HydrophobicContact CB-CE3 4.29Å; W890-W892 HydrophobicContact CB-CG 4.09Å; W890-W892 HydrophobicContact CB-CH2 4.33Å; W890-W892 HydrophobicContact CB-CZ2 3.82Å; W890-W892 AromaticContact CD2-CH2 3.75Å; W890-W892 HydrophobicContact CD2-CH2 3.75Å; W890-W892 HydrophobicContact CD2-CZ2 4.03Å; W890-W892 HydrophobicContact CD2-CZ3 4.02Å; W890-W892 HydrophobicContact CE3-CD2 4.47Å; W890-W892 AromaticContact CE3-CE3 3.84Å; W890-W892 HydrophobicContact CE3-CE3 3.84Å; W890-W892 AromaticContact CE3-CH2 3.43Å; W890-W892 HydrophobicContact CE3-CH2 3.43Å; W890-W892 VanDerWaalsContact CE3-CH2 3.43Å; W890-W892 HydrophobicContact CE3-CZ2 4.12Å; W890-W892 AromaticContact CE3-CZ3 3.25Å; W890-W892 HydrophobicContact CE3-CZ3 3.25Å; W890-W892 HydrophobicContact CG-CH2 4.19Å; W890-W892 AromaticContact CG-CZ2 3.96Å; W890-W892 HydrophobicContact CG-CZ2 3.96Å; W890-W892 AromaticContact CZ3-CH2 3.98Å; W890-W892 HydrophobicContact CZ3-CH2 3.98Å; W890-W892 AromaticContact CZ3-CZ3 3.77Å; W890-W892 HydrophobicContact CZ3-CZ3 3.77Å; W890-W892 PolarHBondContact O-N 2.88Å; W890-W892 PolarHBondContact O-NE1 3.28Å
891	G	81.4	Confident	85	Confident	19 Å²	19	28.6 Å²	28.6	20%	0.196	14%	0.144	C	C	.	.			trans	72.7	8.5	175.3	0	0	0	0	0	115.4	F333 F887 K893	F333-G891 PolarHBondContact O-N 3.29Å; F887-G891 WeakPolarHBondContact O-CA 3.43Å; F887-G891 PolarHBondContact O-N 3.44Å; G891-K893 PolarHBondContact O-N 2.84Å
892	W	84.7	Confident	84.8	Confident	19 Å²	19	34 Å²	34	7%	0.072	17%	0.167	C	C	.	.			trans	-73.9	88.5	-168.9	-64.7	-15.4	0	0	0	113.1	L328 Y332 L852 A853 L886 W890 V897	L328-W892 HydrophobicContact CD2-CH2 4.13Å; L328-W892 HydrophobicContact CD2-CZ2 4.19Å; Y332-W892 AromaticContact CD1-NE1 3.73Å; Y332-W892 AromaticContact CD2-CZ2 3.91Å; Y332-W892 HydrophobicContact CD2-CZ2 3.91Å; Y332-W892 HydrophobicContact CE2-CZ2 4.17Å; Y332-W892 HydrophobicContact CG-CZ2 4.33Å; Y332-W892 AromaticContact CG-NE1 3.76Å; L852-W892 HydrophobicContact CB-CH2 4.16Å; L852-W892 HydrophobicContact CB-CZ2 4.01Å; L852-W892 VanDerWaalsContact O-CH2 3.24Å; L852-W892 WeakPolarHBondContact O-CH2 3.18Å; L852-W892 VanDerWaalsContact O-CZ3 3.31Å; L852-W892 WeakPolarHBondContact O-CZ3 3.35Å; A853-W892 HydrophobicContact CB-CE3 4.17Å; A853-W892 HydrophobicContact CB-CZ3 4.44Å; L886-W892 HydrophobicContact CB-CE3 4.25Å; L886-W892 HydrophobicContact CD2-CE3 4.47Å; L886-W892 HydrophobicContact CD2-CZ3 4.22Å; W890-W892 HydrophobicContact CB-CD2 3.76Å; W890-W892 VanDerWaalsContact CB-CE2 3.49Å; W890-W892 HydrophobicContact CB-CE3 4.29Å; W890-W892 HydrophobicContact CB-CG 4.09Å; W890-W892 HydrophobicContact CB-CH2 4.33Å; W890-W892 HydrophobicContact CB-CZ2 3.82Å; W890-W892 AromaticContact CD2-CH2 3.75Å; W890-W892 HydrophobicContact CD2-CH2 3.75Å; W890-W892 HydrophobicContact CD2-CZ2 4.03Å; W890-W892 HydrophobicContact CD2-CZ3 4.02Å; W890-W892 HydrophobicContact CE3-CD2 4.47Å; W890-W892 AromaticContact CE3-CE3 3.84Å; W890-W892 HydrophobicContact CE3-CE3 3.84Å; W890-W892 AromaticContact CE3-CH2 3.43Å; W890-W892 HydrophobicContact CE3-CH2 3.43Å; W890-W892 VanDerWaalsContact CE3-CH2 3.43Å; W890-W892 HydrophobicContact CE3-CZ2 4.12Å; W890-W892 AromaticContact CE3-CZ3 3.25Å; W890-W892 HydrophobicContact CE3-CZ3 3.25Å; W890-W892 HydrophobicContact CG-CH2 4.19Å; W890-W892 AromaticContact CG-CZ2 3.96Å; W890-W892 HydrophobicContact CG-CZ2 3.96Å; W890-W892 AromaticContact CZ3-CH2 3.98Å; W890-W892 HydrophobicContact CZ3-CH2 3.98Å; W890-W892 AromaticContact CZ3-CZ3 3.77Å; W890-W892 HydrophobicContact CZ3-CZ3 3.77Å; W890-W892 PolarHBondContact O-N 2.88Å; W890-W892 PolarHBondContact O-NE1 3.28Å; W892-V897 HydrophobicContact CB-CG2 3.7Å; W892-V897 WeakPolarHBondContact O-CG2 3.4Å
893	K	79.4	Confident	84.7	Confident	92 Å²	92	36.5 Å²	36.5	40%	0.4	18%	0.175	S	C	.	.			trans	-44.5	128.2	-174.7	-63.8	-170.5	-179.2	-163.1	0	112.9	D339 F887 G891 N895 V896 V897	D339-K893 WeakPolarHBondContact O-CE 3.3Å; D339-K893 PolarHBondContact O-NZ 2.94Å; F887-K893 HydrophobicContact CE2-CG 4.08Å; G891-K893 PolarHBondContact O-N 2.84Å; K893-N895 VanDerWaalsContact C-N 3.3Å; K893-N895 PolarHBondContact O-N 2.81Å; K893-N895 VanDerWaalsContact O-N 3.14Å; K893-V896 HydrophobicContact CB-CB 4.42Å; K893-V896 HydrophobicContact CB-CG2 4.05Å; K893-V896 WeakPolarHBondContact O-CA 3.41Å; K893-V896 WeakPolarHBondContact O-CB 3.43Å; K893-V896 PolarHBondContact O-N 2.97Å; K893-V897 PolarHBondContact O-N 3.49Å
894	P	78.1	Confident	84.6	Confident	16 Å²	16	36.4 Å²	36.4	10%	0.104	18%	0.175	C	C	.	.	H	α-helix	trans	-59.1	-38	-167.8	-25.9	34.3	0	0	0	113.9	V896 V897 K898 W936	P894-V896 VanDerWaalsContact C-N 3.32Å; P894-V896 PolarHBondContact O-N 3.25Å; P894-V897 PolarHBondContact O-N 3.45Å; P894-K898 WeakPolarHBondContact O-CB 3.41Å; P894-K898 PolarHBondContact O-N 2.92Å; P894-W936 HydrophobicContact CB-CH2 3.87Å; P894-W936 HydrophobicContact CB-CZ2 4.38Å; P894-W936 HydrophobicContact CB-CZ3 4.19Å; P894-W936 HydrophobicContact CG-CE3 3.97Å; P894-W936 HydrophobicContact CG-CH2 3.27Å; P894-W936 HydrophobicContact CG-CZ2 4.15Å; P894-W936 HydrophobicContact CG-CZ3 3.15Å
895	N	76.2	Confident	84.6	Confident	20 Å²	20	37.4 Å²	37.4	11%	0.107	18%	0.179	C	C	.	.	H	α-helix	trans	-77.9	-16.8	-178.5	-60.4	-59.6	0	0	0	113.3	D481 H827 K893 Q899	D481-N895 VanDerWaalsContact CG-CG 3.49Å; D481-N895 PolarHBondContact OD1-ND2 2.93Å; D481-N895 VanDerWaalsContact OD2-CG 3.31Å; D481-N895 PolarHBondContact OD2-ND2 2.85Å; H827-N895 PolarHBondContact NE2-ND2 3.15Å; H827-N895 VanDerWaalsContact NE2-ND2 3.2Å; K893-N895 VanDerWaalsContact C-N 3.3Å; K893-N895 PolarHBondContact O-N 2.81Å; K893-N895 VanDerWaalsContact O-N 3.14Å; N895-Q899 VanDerWaalsContact O-CG 3.28Å; N895-Q899 WeakPolarHBondContact O-CG 3.46Å; N895-Q899 PolarHBondContact O-N 2.9Å; N895-Q899 PolarHBondContact O-NE2 3.37Å
896	V	82.5	Confident	84.5	Confident	52 Å²	52	40 Å²	40	32%	0.315	19%	0.187	S	C	.	.	H	α-helix	trans	-77.6	-51.1	165.6	180	0	0	0	0	109.2	K893 P894 K898 Q899 E900	K893-V896 HydrophobicContact CB-CB 4.42Å; K893-V896 HydrophobicContact CB-CG2 4.05Å; K893-V896 WeakPolarHBondContact O-CA 3.41Å; K893-V896 WeakPolarHBondContact O-CB 3.43Å; K893-V896 PolarHBondContact O-N 2.97Å; P894-V896 VanDerWaalsContact C-N 3.32Å; P894-V896 PolarHBondContact O-N 3.25Å; V896-K898 VanDerWaalsContact C-N 3.31Å; V896-K898 PolarHBondContact O-N 3Å; V896-Q899 WeakPolarHBondContact O-CA 3.43Å; V896-Q899 WeakPolarHBondContact O-CB 3.35Å; V896-Q899 PolarHBondContact O-N 3.06Å; V896-E900 HydrophobicContact CG1-CG 4.35Å; V896-E900 PolarHBondContact O-N 3.01Å
897	V	86	Confident	84	Confident	10 Å²	10	40.4 Å²	40.4	6%	0.061	19%	0.189	C	C	.	.	H	α-helix	trans	-54.8	-47	177.3	175.1	0	0	0	0	111.3	A853 L883 W892 K893 P894 Q899 E900 L901	A853-V897 HydrophobicContact CB-CB 4.48Å; A853-V897 HydrophobicContact CB-CG1 3.56Å; A853-V897 HydrophobicContact CB-CG2 4.19Å; L883-V897 HydrophobicContact CD2-CG1 3.65Å; W892-V897 HydrophobicContact CB-CG2 3.7Å; W892-V897 WeakPolarHBondContact O-CG2 3.4Å; K893-V897 PolarHBondContact O-N 3.49Å; P894-V897 PolarHBondContact O-N 3.45Å; V897-Q899 VanDerWaalsContact C-N 3.26Å; V897-Q899 PolarHBondContact O-N 3.5Å; V897-E900 PolarHBondContact O-N 3.42Å; V897-L901 HydrophobicContact CG1-CD1 3.73Å; V897-L901 HydrophobicContact CG1-CG 4.07Å; V897-L901 VanDerWaalsContact O-CB 3.24Å; V897-L901 WeakPolarHBondContact O-CB 3.11Å; V897-L901 WeakPolarHBondContact O-CG 3.46Å; V897-L901 PolarHBondContact O-N 2.9Å
898	K	86.2	Confident	83.5	Confident	57 Å²	57	47.4 Å²	47.4	25%	0.248	22%	0.216	C	C	.	.	H	α-helix	trans	-58.7	-31.3	175	179.4	-179.9	178.4	-176.9	0	113.8	P894 V896 K902 F930	P894-K898 WeakPolarHBondContact O-CB 3.41Å; P894-K898 PolarHBondContact O-N 2.92Å; V896-K898 VanDerWaalsContact C-N 3.31Å; V896-K898 PolarHBondContact O-N 3Å; K898-K902 WeakPolarHBondContact O-CB 3.41Å; K898-K902 WeakPolarHBondContact O-CG 3.35Å; K898-K902 PolarHBondContact O-N 3Å; K898-F930 HydrophobicContact CB-CE1 4.06Å; K898-F930 HydrophobicContact CB-CZ 4.29Å; K898-F930 HydrophobicContact CG-CE1 3.83Å; K898-F930 HydrophobicContact CG-CZ 3.92Å
899	Q	85.2	Confident	82.7	Confident	111 Å²	111	50.3 Å²	50.3	52%	0.519	24%	0.237	S	C	.	.	H	α-helix	trans	-78.3	-48.2	174.5	-78	174.7	70.5	0	0	111.6	N895 V896 V897 L901 K902 K903	N895-Q899 VanDerWaalsContact O-CG 3.28Å; N895-Q899 WeakPolarHBondContact O-CG 3.46Å; N895-Q899 PolarHBondContact O-N 2.9Å; N895-Q899 PolarHBondContact O-NE2 3.37Å; V896-Q899 WeakPolarHBondContact O-CA 3.43Å; V896-Q899 WeakPolarHBondContact O-CB 3.35Å; V896-Q899 PolarHBondContact O-N 3.06Å; V897-Q899 VanDerWaalsContact C-N 3.26Å; V897-Q899 PolarHBondContact O-N 3.5Å; Q899-L901 PolarHBondContact O-N 3.14Å; Q899-K902 PolarHBondContact O-N 3.11Å; Q899-K903 WeakPolarHBondContact O-CG 3.39Å; Q899-K903 PolarHBondContact O-N 3.43Å
900	E	87.2	Confident	81.2	Confident	54 Å²	54	57.3 Å²	57.3	25%	0.252	27%	0.268	S	S	.	.	H	α-helix	trans	-62.7	-42.2	177.9	-59.2	-42.9	127.8	0	0	111.9	V896 V897 K903 L904	V896-E900 HydrophobicContact CG1-CG 4.35Å; V896-E900 PolarHBondContact O-N 3.01Å; V897-E900 PolarHBondContact O-N 3.42Å; E900-K903 WeakPolarHBondContact O-CB 3.46Å; E900-K903 PolarHBondContact O-N 2.9Å; E900-K903 WeakPolarHBondContact OE1-CE 3.09Å; E900-K903 IonicContact OE1-NZ 2.73Å; E900-K903 PolarHBondContact OE1-NZ 3.39Å; E900-K903 WeakPolarHBondContact OE2-CD 3.14Å; E900-K903 WeakPolarHBondContact OE2-CE 3.31Å; E900-K903 IonicContact OE2-NZ 2.83Å; E900-K903 PolarHBondContact OE2-NZ 3.39Å; E900-L904 PolarHBondContact O-N 2.71Å
901	L	90.7	Very high	79.5	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-53.9	-55.5	169.6	-74.4	175.2	0	0	0	110.3	A833 V835 V854 L881 V897 Q899 K903 L904 I928 F930	A833-L901 HydrophobicContact CB-CD1 3.94Å; V835-L901 HydrophobicContact CG2-CD2 3.88Å; V854-L901 HydrophobicContact CG2-CD2 3.61Å; L881-L901 HydrophobicContact CD2-CD1 4.35Å; L881-L901 HydrophobicContact CD2-CD2 4.06Å; V897-L901 HydrophobicContact CG1-CD1 3.73Å; V897-L901 HydrophobicContact CG1-CG 4.07Å; V897-L901 VanDerWaalsContact O-CB 3.24Å; V897-L901 WeakPolarHBondContact O-CB 3.11Å; V897-L901 WeakPolarHBondContact O-CG 3.46Å; V897-L901 PolarHBondContact O-N 2.9Å; Q899-L901 PolarHBondContact O-N 3.14Å; L901-K903 PolarHBondContact O-N 3.13Å; L901-K903 VanDerWaalsContact O-N 3.1Å; L901-L904 HydrophobicContact CD2-CD1 4.18Å; L901-L904 WeakPolarHBondContact O-CB 3.31Å; L901-L904 PolarHBondContact O-N 3.18Å; L901-I928 HydrophobicContact CB-CD1 3.81Å; L901-I928 HydrophobicContact CB-CG2 4.4Å; L901-I928 HydrophobicContact CD2-CD1 4.11Å; L901-I928 WeakPolarHBondContact O-CD1 3.48Å; L901-F930 HydrophobicContact CB-CZ 4.19Å; L901-F930 HydrophobicContact CD1-CE1 4.08Å; L901-F930 HydrophobicContact CD1-CZ 4.14Å
902	K	87.8	Confident	77.7	Confident	113 Å²	113	73.6 Å²	73.6	49%	0.491	33%	0.334	S	S	.	.	H	α-helix	trans	-62	-20.9	-179.3	-78.7	-168.2	173.3	-159.4	0	114.9	K898 Q899 F930	K898-K902 WeakPolarHBondContact O-CB 3.41Å; K898-K902 WeakPolarHBondContact O-CG 3.35Å; K898-K902 PolarHBondContact O-N 3Å; Q899-K902 PolarHBondContact O-N 3.11Å; K902-F930 HydrophobicContact CD-CE2 4.36Å; K902-F930 HydrophobicContact CG-CE2 3.91Å; K902-F930 HydrophobicContact CG-CZ 4.25Å
903	K	87.9	Confident	75.7	Confident	107 Å²	107	79.1 Å²	79.1	47%	0.465	37%	0.365	S	S	.	.	H	α-helix	trans	-71.3	-29.7	169.2	-65.6	173.5	-159.3	167.9	0	112.3	Q899 E900 L901 E905 W906	Q899-K903 WeakPolarHBondContact O-CG 3.39Å; Q899-K903 PolarHBondContact O-N 3.43Å; E900-K903 WeakPolarHBondContact O-CB 3.46Å; E900-K903 PolarHBondContact O-N 2.9Å; E900-K903 WeakPolarHBondContact OE1-CE 3.09Å; E900-K903 IonicContact OE1-NZ 2.73Å; E900-K903 PolarHBondContact OE1-NZ 3.39Å; E900-K903 WeakPolarHBondContact OE2-CD 3.14Å; E900-K903 WeakPolarHBondContact OE2-CE 3.31Å; E900-K903 IonicContact OE2-NZ 2.83Å; E900-K903 PolarHBondContact OE2-NZ 3.39Å; L901-K903 PolarHBondContact O-N 3.13Å; L901-K903 VanDerWaalsContact O-N 3.1Å; K903-E905 PolarHBondContact O-N 2.98Å; K903-W906 CarbonylContact O-C 3.52Å; K903-W906 PolarHBondContact O-N 3.35Å
904	L	87.4	Confident	74.1	Confident	4 Å²	4	81.5 Å²	81.5	2%	0.021	39%	0.387	C	S	.	.	H	α-helix	trans	-59.9	-29.1	178.6	-62.8	177.3	0	0	0	113.2	A847 R850 C851 V854 E900 L901 W906 T924 I926 I928	A847-L904 HydrophobicContact CB-CD1 4.14Å; R850-L904 HydrophobicContact CB-CD2 3.48Å; R850-L904 VanDerWaalsContact CB-CD2 3.48Å; C851-L904 HydrophobicContact CB-CD1 3.83Å; C851-L904 HydrophobicContact CB-CD2 4.08Å; C851-L904 HydrophobicContact CB-CG 4.24Å; V854-L904 HydrophobicContact CG2-CD1 3.86Å; E900-L904 PolarHBondContact O-N 2.71Å; L901-L904 HydrophobicContact CD2-CD1 4.18Å; L901-L904 WeakPolarHBondContact O-CB 3.31Å; L901-L904 PolarHBondContact O-N 3.18Å; L904-W906 PolarHBondContact O-N 3.42Å; L904-T924 VanDerWaalsContact O-CG2 3.29Å; L904-T924 WeakPolarHBondContact O-CG2 3.35Å; L904-T924 PolarHBondContact O-OG1 2.77Å; L904-I926 HydrophobicContact CB-CD1 4.49Å; L904-I926 HydrophobicContact CB-CG2 4.36Å; L904-I928 HydrophobicContact CB-CD1 4.15Å; L904-I928 HydrophobicContact CD1-CD1 4.2Å
905	E	87.2	Confident	72.7	Confident	30 Å²	30	87.5 Å²	87.5	14%	0.14	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-17.5	176.7	-60.7	-158.8	121.5	0	0	113.8	K903 R923 T924 N927 I928	K903-E905 PolarHBondContact O-N 2.98Å; E905-R923 WeakPolarHBondContact O-CA 3.17Å; E905-R923 WeakPolarHBondContact O-CG 3.48Å; E905-R923 IonicContact OE1-CZ 3.35Å; E905-R923 IonicContact OE1-NH2 3.95Å; E905-R923 PolarHBondContact OE1-NH2 3.31Å; E905-R923 IonicContact OE2-NH2 3.98Å; E905-T924 VanDerWaalsContact C-OG1 3.27Å; E905-T924 VanDerWaalsContact CA-OG1 3.31Å; E905-T924 WeakPolarHBondContact CA-OG1 3.37Å; E905-T924 PolarHBondContact O-N 2.76Å; E905-T924 PolarHBondContact O-OG1 3.21Å; E905-N927 WeakPolarHBondContact OE1-CA 3.39Å; E905-I928 HydrophobicContact CG-CG1 4.28Å; E905-I928 PolarHBondContact OE1-N 2.89Å; E905-I928 VanDerWaalsContact OE1-N 3.15Å
906	W	83.9	Confident	71.2	Confident	104 Å²	104	95 Å²	95	39%	0.394	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	110.6	-169.8	-63.5	94.9	0	0	0	110.7	K903 L904 Y908 A921 R923	K903-W906 CarbonylContact O-C 3.52Å; K903-W906 PolarHBondContact O-N 3.35Å; L904-W906 PolarHBondContact O-N 3.42Å; W906-Y908 HydrophobicContact CB-CE2 3.77Å; W906-Y908 WeakPolarHBondContact O-CD2 3.37Å; W906-Y908 WeakPolarHBondContact O-CE2 3.22Å; W906-A921 HydrophobicContact CE3-CB 4.43Å; W906-R923 HydrophobicContact CD2-CG 4.32Å; W906-R923 HydrophobicContact CE3-CB 4.06Å; W906-R923 HydrophobicContact CE3-CG 4.33Å; W906-R923 HydrophobicContact CH2-CB 4.09Å; W906-R923 HydrophobicContact CH2-CG 4.19Å; W906-R923 HydrophobicContact CZ2-CG 4.15Å; W906-R923 HydrophobicContact CZ3-CB 3.83Å; W906-R923 HydrophobicContact CZ3-CG 4.28Å
907	D	78.2	Confident	69.5	Low	11 Å²	11	97.9 Å²	97.9	6%	0.059	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	136.8	176.5	-166.4	17.2	0	0	0	111.7	Y846 R850 S909 Y922 T924	Y846-D907 WeakPolarHBondContact OH-CB 3.36Å; Y846-D907 PolarHBondContact OH-OD2 3.05Å; R850-D907 IonicContact CZ-OD1 3.74Å; R850-D907 IonicContact NE-OD1 3.89Å; R850-D907 VanDerWaalsContact NH2-CG 3.27Å; R850-D907 IonicContact NH2-OD1 2.81Å; R850-D907 PolarHBondContact NH2-OD1 3.04Å; R850-D907 IonicContact NH2-OD2 3.18Å; R850-D907 PolarHBondContact NH2-OD2 3.36Å; D907-S909 VanDerWaalsContact CG-OG 3.27Å; D907-S909 VanDerWaalsContact OD1-CB 3.29Å; D907-S909 WeakPolarHBondContact OD1-CB 3.49Å; D907-S909 PolarHBondContact OD1-N 2.9Å; D907-S909 PolarHBondContact OD1-OG 2.99Å; D907-S909 PolarHBondContact OD2-OG 2.73Å; D907-Y922 HydrophobicContact CB-CD2 4.23Å; D907-Y922 HydrophobicContact CB-CE1 4.21Å; D907-Y922 HydrophobicContact CB-CE2 3.6Å; D907-Y922 PolarHBondContact N-O 2.79Å; D907-Y922 PolarHBondContact O-N 2.88Å; D907-Y922 PolarHBondContact OD2-OH 3.29Å; D907-T924 HydrophobicContact CB-CG2 4.23Å
908	Y	74.4	Confident	67.6	Low	152 Å²	152	101.4 Å²	101.4	60%	0.596	51%	0.512	S	S	*	.			trans	-115.5	1.1	-177.4	-58.1	-93.6	0	0	0	111.4	W906 R911 A921	W906-Y908 HydrophobicContact CB-CE2 3.77Å; W906-Y908 WeakPolarHBondContact O-CD2 3.37Å; W906-Y908 WeakPolarHBondContact O-CE2 3.22Å; Y908-R911 WeakPolarHBondContact O-CB 3.24Å; Y908-A921 HydrophobicContact CD1-CB 3.72Å; Y908-A921 HydrophobicContact CE1-CB 3.5Å; Y908-A921 HydrophobicContact CG-CB 4.5Å
909	S	65.4	Low	65.9	Low	65 Å²	65	104.7 Å²	104.7	46%	0.455	54%	0.543	S	S	.	.			trans	-70.2	-31.2	-168.5	69.2	0	0	0	0	115.3	D907 R911 Y922	D907-S909 VanDerWaalsContact CG-OG 3.27Å; D907-S909 VanDerWaalsContact OD1-CB 3.29Å; D907-S909 WeakPolarHBondContact OD1-CB 3.49Å; D907-S909 PolarHBondContact OD1-N 2.9Å; D907-S909 PolarHBondContact OD1-OG 2.99Å; D907-S909 PolarHBondContact OD2-OG 2.73Å; S909-R911 PolarHBondContact O-N 2.99Å; S909-Y922 PolarHBondContact OG-OH 2.89Å
910	K	52	Low	64.6	Low	162 Å²	162	107.9 Å²	107.9	70%	0.704	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	36.5	177.8	-62.8	-176	-179	-170.8	0	113.9	Y922	K910-Y922 HydrophobicContact CB-CE1 3.94Å; K910-Y922 HydrophobicContact CD-CE1 3.69Å; K910-Y922 WeakPolarHBondContact CE-OH 3.43Å; K910-Y922 HydrophobicContact CG-CE1 3.76Å; K910-Y922 WeakPolarHBondContact CG-OH 3.27Å
911	R	47.7	Very low	63.7	Low	220 Å²	220	107.2 Å²	107.2	83%	0.83	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-18.1	-177.8	-175.6	172.4	179.5	177	-1.3	113.6	Y908 S909	Y908-R911 WeakPolarHBondContact O-CB 3.24Å; S909-R911 PolarHBondContact O-N 2.99Å
912	N	44.7	Very low	63.1	Low	147 Å²	147	111.3 Å²	111.3	79%	0.786	57%	0.574	S	S	*	*	S	Bend	trans	-96.8	-16.4	-169.3	-70.3	13.1	0	0	0	114.7
913	N	42.9	Very low	62.7	Low	134 Å²	134	110.9 Å²	110.9	72%	0.717	57%	0.57	S	S	*	*	S	Bend	trans	-112	134.5	-175.5	-69.2	18	0	0	0	111.5
914	T	44	Very low	62.5	Low	142 Å²	142	106.5 Å²	106.5	87%	0.871	55%	0.552	S	S	*	*	S	Bend	trans	66.5	139	179.7	72.5	0	0	0	0	118.2	E916	T914-E916 PolarHBondContact O-N 2.96Å
915	T	49.4	Very low	62.2	Low	143 Å²	143	106.7 Å²	106.7	88%	0.877	56%	0.555	S	S	*	*			trans	-93.4	82.6	-168.8	47.8	0	0	0	0	112.2
916	E	44	Very low	62.3	Low	178 Å²	178	105.3 Å²	105.3	83%	0.832	55%	0.548	S	S	*	.			trans	-151.4	135.4	165.5	-125	173.5	-128.4	0	0	113.7	T914 S918	T914-E916 PolarHBondContact O-N 2.96Å; E916-S918 PolarHBondContact O-N 3.13Å
917	A	47.9	Very low	62.6	Low	111 Å²	111	101.2 Å²	101.2	92%	0.917	53%	0.534	S	S	*	.			trans	-80.7	46.6	-162.8	0	0	0	0	0	115.1
918	S	45.5	Very low	63.2	Low	84 Å²	84	101.2 Å²	101.2	59%	0.587	53%	0.534	S	S	*	.			trans	-105.6	77.4	173.6	86.1	0	0	0	0	111.9	E916 K920	E916-S918 PolarHBondContact O-N 3.13Å; S918-K920 PolarHBondContact O-N 3.33Å
919	S	50.8	Low	64	Low	126 Å²	126	97.7 Å²	97.7	88%	0.881	53%	0.526	S	S	*	.			trans	-71.7	58.3	-172.1	62.5	0	0	0	0	114.8
920	K	58.6	Low	65.3	Low	179 Å²	179	96.4 Å²	96.4	78%	0.778	51%	0.512	S	S	*	.			trans	-108.4	112.4	-176.7	-68.6	171.9	-176.8	165.1	0	110.6	S918	S918-K920 PolarHBondContact O-N 3.33Å
921	A	68.6	Low	67.1	Low	39 Å²	39	90.6 Å²	90.6	32%	0.322	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-57.8	139.2	165.8	0	0	0	0	0	109.9	W906 Y908	W906-A921 HydrophobicContact CE3-CB 4.43Å; Y908-A921 HydrophobicContact CD1-CB 3.72Å; Y908-A921 HydrophobicContact CE1-CB 3.5Å; Y908-A921 HydrophobicContact CG-CB 4.5Å
922	Y	78.2	Confident	68.9	Low	86 Å²	86	85.4 Å²	85.4	34%	0.337	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	141.6	176	58.6	-86.3	0	0	0	110.3	D907 S909 K910	D907-Y922 HydrophobicContact CB-CD2 4.23Å; D907-Y922 HydrophobicContact CB-CE1 4.21Å; D907-Y922 HydrophobicContact CB-CE2 3.6Å; D907-Y922 PolarHBondContact N-O 2.79Å; D907-Y922 PolarHBondContact O-N 2.88Å; D907-Y922 PolarHBondContact OD2-OH 3.29Å; S909-Y922 PolarHBondContact OG-OH 2.89Å; K910-Y922 HydrophobicContact CB-CE1 3.94Å; K910-Y922 HydrophobicContact CD-CE1 3.69Å; K910-Y922 WeakPolarHBondContact CE-OH 3.43Å; K910-Y922 HydrophobicContact CG-CE1 3.76Å; K910-Y922 WeakPolarHBondContact CG-OH 3.27Å
923	R	78.8	Confident	71	Confident	105 Å²	105	84.1 Å²	84.1	40%	0.396	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	134.7	171.3	-156.3	-173.6	-176.2	-169.5	-2.2	108.9	E905 W906 N927	E905-R923 WeakPolarHBondContact O-CA 3.17Å; E905-R923 WeakPolarHBondContact O-CG 3.48Å; E905-R923 IonicContact OE1-CZ 3.35Å; E905-R923 IonicContact OE1-NH2 3.95Å; E905-R923 PolarHBondContact OE1-NH2 3.31Å; E905-R923 IonicContact OE2-NH2 3.98Å; W906-R923 HydrophobicContact CD2-CG 4.32Å; W906-R923 HydrophobicContact CE3-CB 4.06Å; W906-R923 HydrophobicContact CE3-CG 4.33Å; W906-R923 HydrophobicContact CH2-CB 4.09Å; W906-R923 HydrophobicContact CH2-CG 4.19Å; W906-R923 HydrophobicContact CZ2-CG 4.15Å; W906-R923 HydrophobicContact CZ3-CB 3.83Å; W906-R923 HydrophobicContact CZ3-CG 4.28Å; R923-N927 PolarHBondContact NH2-OD1 2.93Å
924	T	83	Confident	73.1	Confident	15 Å²	15	77.9 Å²	77.9	9%	0.092	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-72	171.3	169.3	55.2	0	0	0	0	111.3	Y846 L904 E905 D907 I926	Y846-T924 HydrophobicContact CE1-CG2 4.3Å; L904-T924 VanDerWaalsContact O-CG2 3.29Å; L904-T924 WeakPolarHBondContact O-CG2 3.35Å; L904-T924 PolarHBondContact O-OG1 2.77Å; E905-T924 VanDerWaalsContact C-OG1 3.27Å; E905-T924 VanDerWaalsContact CA-OG1 3.31Å; E905-T924 WeakPolarHBondContact CA-OG1 3.37Å; E905-T924 PolarHBondContact O-N 2.76Å; E905-T924 PolarHBondContact O-OG1 3.21Å; D907-T924 HydrophobicContact CB-CG2 4.23Å; T924-I926 PolarHBondContact O-N 2.79Å; T924-I926 WeakPolarHBondContact OG1-CB 3.27Å; T924-I926 PolarHBondContact OG1-N 3.5Å; T924-I926 PolarHBondContact OG1-O 3Å
925	G	82.5	Confident	75.1	Confident	8 Å²	8	71.9 Å²	71.9	8%	0.082	39%	0.392	C	S	.	.	S	Bend	trans	-74.8	-6.6	162.9	0	0	0	0	0	113.7	Y838 E843	Y838-G925 WeakPolarHBondContact CD2-O 3.35Å; Y838-G925 PolarHBondContact N-O 3.18Å; E843-G925 WeakPolarHBondContact OE1-CA 3.03Å; E843-G925 PolarHBondContact OE1-N 3.33Å; E843-G925 VanDerWaalsContact OE2-C 3.24Å; E843-G925 WeakPolarHBondContact OE2-CA 3.31Å
926	I	88.1	Confident	76.9	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	129.3	171.7	-52.9	166.3	0	0	0	110.4	V835 H836 E843 Y846 A847 L904 T924 I928	V835-I926 HydrophobicContact CG1-CG2 3.81Å; H836-I926 CarbonylContact O-C 3.42Å; H836-I926 VanDerWaalsContact O-CA 3.31Å; H836-I926 WeakPolarHBondContact O-CA 3.28Å; E843-I926 HydrophobicContact CB-CG1 4.12Å; Y846-I926 HydrophobicContact CD1-CD1 3.63Å; Y846-I926 HydrophobicContact CE1-CD1 3.81Å; A847-I926 HydrophobicContact CB-CD1 4.02Å; L904-I926 HydrophobicContact CB-CD1 4.49Å; L904-I926 HydrophobicContact CB-CG2 4.36Å; T924-I926 PolarHBondContact O-N 2.79Å; T924-I926 WeakPolarHBondContact OG1-CB 3.27Å; T924-I926 PolarHBondContact OG1-N 3.5Å; T924-I926 PolarHBondContact OG1-O 3Å; I926-I928 HydrophobicContact CG2-CD1 4.35Å; I926-I928 HydrophobicContact CG2-CG1 4.11Å
927	N	89.6	Confident	79	Confident	18 Å²	18	56.9 Å²	56.9	10%	0.096	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	139.8	173.2	-175.7	103.5	0	0	0	109.3	H836 Y838 E905 R923 D929	H836-N927 PolarHBondContact N-O 3.18Å; H836-N927 PolarHBondContact O-N 2.83Å; Y838-N927 HydrophobicContact CE2-CB 4.07Å; E905-N927 WeakPolarHBondContact OE1-CA 3.39Å; R923-N927 PolarHBondContact NH2-OD1 2.93Å; N927-D929 VanDerWaalsContact ND2-CG 3.26Å; N927-D929 PolarHBondContact ND2-OD1 3.4Å; N927-D929 PolarHBondContact ND2-OD2 2.85Å
928	I	91.9	Very high	80.8	Confident	11 Å²	11	51.6 Å²	51.6	6%	0.056	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	111	-172.9	-55.4	-177.8	0	0	0	111.9	T834 V835 L901 L904 E905 I926 F930	T834-I928 WeakPolarHBondContact O-CA 3.18Å; V835-I928 HydrophobicContact CG2-CD1 4.06Å; V835-I928 HydrophobicContact CG2-CG1 4.1Å; V835-I928 HydrophobicContact CG2-CG2 4.41Å; L901-I928 HydrophobicContact CB-CD1 3.81Å; L901-I928 HydrophobicContact CB-CG2 4.4Å; L901-I928 HydrophobicContact CD2-CD1 4.11Å; L901-I928 WeakPolarHBondContact O-CD1 3.48Å; L904-I928 HydrophobicContact CB-CD1 4.15Å; L904-I928 HydrophobicContact CD1-CD1 4.2Å; E905-I928 HydrophobicContact CG-CG1 4.28Å; E905-I928 PolarHBondContact OE1-N 2.89Å; E905-I928 VanDerWaalsContact OE1-N 3.15Å; I926-I928 HydrophobicContact CG2-CD1 4.35Å; I926-I928 HydrophobicContact CG2-CG1 4.11Å; I928-F930 HydrophobicContact CB-CE2 4.47Å; I928-F930 HydrophobicContact CG2-CD2 4.25Å; I928-F930 HydrophobicContact CG2-CE2 3.69Å; I928-F930 HydrophobicContact CG2-CZ 3.94Å
929	D	91.8	Very high	82.7	Confident	79 Å²	79	47.6 Å²	47.6	42%	0.422	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	115.7	-176.9	-63.5	-54	0	0	0	109.5	T834 H836 N927	T834-D929 PolarHBondContact N-O 3.48Å; T834-D929 PolarHBondContact O-N 3.11Å; H836-D929 IonicContact CD2-OD2 3.33Å; H836-D929 PolarHBondContact CD2-OD2 3.42Å; H836-D929 IonicContact NE2-OD2 3.92Å; N927-D929 VanDerWaalsContact ND2-CG 3.26Å; N927-D929 PolarHBondContact ND2-OD1 3.4Å; N927-D929 PolarHBondContact ND2-OD2 2.85Å
930	F	91.1	Very high	84.2	Confident	37 Å²	37	43.8 Å²	43.8	16%	0.162	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	129.7	178.9	-67.3	-94.3	0	0	0	110.2	Y830 A833 K898 L901 K902 I928	Y830-F930 HydrophobicContact CD1-CB 3.77Å; Y830-F930 HydrophobicContact CD2-CB 3.84Å; Y830-F930 HydrophobicContact CD2-CD1 4.07Å; Y830-F930 HydrophobicContact CD2-CG 4.18Å; Y830-F930 HydrophobicContact CE1-CB 3.91Å; Y830-F930 HydrophobicContact CE2-CB 3.99Å; Y830-F930 HydrophobicContact CE2-CG 4.44Å; Y830-F930 HydrophobicContact CG-CB 3.72Å; Y830-F930 HydrophobicContact CG-CD1 4.29Å; Y830-F930 HydrophobicContact CG-CG 4.41Å; A833-F930 HydrophobicContact CB-CD1 3.71Å; A833-F930 HydrophobicContact CB-CE1 3.78Å; A833-F930 HydrophobicContact CB-CG 4.45Å; K898-F930 HydrophobicContact CB-CE1 4.06Å; K898-F930 HydrophobicContact CB-CZ 4.29Å; K898-F930 HydrophobicContact CG-CE1 3.83Å; K898-F930 HydrophobicContact CG-CZ 3.92Å; L901-F930 HydrophobicContact CB-CZ 4.19Å; L901-F930 HydrophobicContact CD1-CE1 4.08Å; L901-F930 HydrophobicContact CD1-CZ 4.14Å; K902-F930 HydrophobicContact CD-CE2 4.36Å; K902-F930 HydrophobicContact CG-CE2 3.91Å; K902-F930 HydrophobicContact CG-CZ 4.25Å; I928-F930 HydrophobicContact CB-CE2 4.47Å; I928-F930 HydrophobicContact CG2-CD2 4.25Å; I928-F930 HydrophobicContact CG2-CE2 3.69Å; I928-F930 HydrophobicContact CG2-CZ 3.94Å
931	S	90	Very high	84.8	Confident	41 Å²	41	35.6 Å²	35.6	29%	0.287	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	167.8	-172.5	57.6	0	0	0	0	111.8	M832	M832-S931 WeakPolarHBondContact CB-OG 3.43Å; M832-S931 PolarHBondContact N-O 3.3Å; M832-S931 PolarHBondContact O-N 2.95Å; M832-S931 VanDerWaalsContact O-O 3.13Å
932	H	86.6	Confident	84.7	Confident	110 Å²	110	38.6 Å²	38.6	51%	0.509	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	51.2	79.6	-178	-57.9	-83.9	0	0	0	113.4	A831 M832 S934	A831-H932 HydrophobicContact CB-CB 4.19Å; A831-H932 PolarHBondContact N-O 3.18Å; M832-H932 HydrophobicContact CG-CB 4.27Å; H932-S934 PolarHBondContact O-N 3.39Å
933	W	87.5	Confident	83.9	Confident	120 Å²	120	35.4 Å²	35.4	46%	0.455	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	115.1	169.3	-176	-87.3	0	0	0	109.3	G829 Y830	G829-W933 CarbonylContact O-C 3.58Å; G829-W933 WeakPolarHBondContact O-CA 3.48Å; Y830-W933 AromaticContact CD1-CE3 3.98Å; Y830-W933 HydrophobicContact CD1-CE3 3.98Å; Y830-W933 HydrophobicContact CD2-CE3 4.16Å; Y830-W933 HydrophobicContact CD2-CZ3 4.14Å; Y830-W933 AromaticContact CE1-CE3 3.83Å; Y830-W933 HydrophobicContact CE1-CE3 3.83Å; Y830-W933 HydrophobicContact CE2-CE3 4.01Å; Y830-W933 AromaticContact CE2-CZ3 3.9Å; Y830-W933 HydrophobicContact CE2-CZ3 3.9Å; Y830-W933 HydrophobicContact CG-CE3 4.15Å; Y830-W933 AromaticContact CZ-CE3 3.84Å
934	S	87	Confident	83.1	Confident	3 Å²	3	31.3 Å²	31.3	2%	0.021	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	155.2	-168.5	54.4	0	0	0	0	111.5	I791 S828 G829 A831 H932 W936	I791-S934 CarbonylContact O-C 3.54Å; I791-S934 WeakPolarHBondContact O-CA 3.19Å; I791-S934 WeakPolarHBondContact O-CB 3.4Å; S828-S934 CarbonylContact C-O 3.6Å; S828-S934 VanDerWaalsContact CA-O 3.29Å; S828-S934 WeakPolarHBondContact CA-O 3.35Å; S828-S934 WeakPolarHBondContact CB-O 3.15Å; G829-S934 PolarHBondContact N-O 3.33Å; G829-S934 PolarHBondContact O-N 3.24Å; G829-S934 PolarHBondContact O-OG 3.04Å; A831-S934 WeakPolarHBondContact CB-OG 3.35Å; A831-S934 PolarHBondContact N-OG 2.84Å; H932-S934 PolarHBondContact O-N 3.39Å; S934-W936 PolarHBondContact OG-NE1 3.43Å
935	S	86	Confident	82.4	Confident	17 Å²	17	35.1 Å²	35.1	12%	0.119	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	130.9	165.2	-64.5	0	0	0	0	109.1	A790 I791 L793 S828	A790-S935 WeakPolarHBondContact CA-O 3.28Å; I791-S935 PolarHBondContact N-O 3.12Å; I791-S935 PolarHBondContact O-N 3.41Å; L793-S935 VanDerWaalsContact CD1-OG 3.31Å; L793-S935 WeakPolarHBondContact CD1-OG 3.42Å; S828-S935 PolarHBondContact OG-OG 2.94Å
936	W	87	Confident	81.9	Confident	5 Å²	5	36.3 Å²	36.3	2%	0.019	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	136.4	-176.8	-70.8	36.6	0	0	0	109.1	V788 H789 A790 L826 H827 Y830 L883 P884 P894 S934	V788-W936 HydrophobicContact CG1-CB 4.4Å; V788-W936 HydrophobicContact CG1-CD2 3.98Å; V788-W936 HydrophobicContact CG1-CE3 3.31Å; V788-W936 HydrophobicContact CG1-CG 4.47Å; V788-W936 HydrophobicContact CG1-CZ3 3.67Å; H789-W936 WeakPolarHBondContact O-CA 3.42Å; A790-W936 HydrophobicContact CB-CD2 4.47Å; A790-W936 HydrophobicContact CB-CG 4.2Å; L826-W936 WeakPolarHBondContact CA-O 3.47Å; L826-W936 HydrophobicContact CB-CB 3.94Å; L826-W936 WeakPolarHBondContact CB-O 3.25Å; L826-W936 HydrophobicContact CD1-CB 4.33Å; L826-W936 PolarHBondContact N-O 3.18Å; H827-W936 WeakPolarHBondContact O-CB 3.35Å; Y830-W936 WeakPolarHBondContact O-CZ2 3.34Å; L883-W936 HydrophobicContact CB-CH2 4.01Å; L883-W936 HydrophobicContact CB-CZ2 4.13Å; P884-W936 HydrophobicContact CB-CH2 4.37Å; P884-W936 HydrophobicContact CG-CH2 3.76Å; P884-W936 HydrophobicContact CG-CZ2 3.66Å; P884-W936 HydrophobicContact CG-CZ3 4.37Å; P894-W936 HydrophobicContact CB-CH2 3.87Å; P894-W936 HydrophobicContact CB-CZ2 4.38Å; P894-W936 HydrophobicContact CB-CZ3 4.19Å; P894-W936 HydrophobicContact CG-CE3 3.97Å; P894-W936 HydrophobicContact CG-CH2 3.27Å; P894-W936 HydrophobicContact CG-CZ2 4.15Å; P894-W936 HydrophobicContact CG-CZ3 3.15Å; S934-W936 PolarHBondContact OG-NE1 3.43Å
937	L	88.1	Confident	81.6	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.1	-178.7	-44.2	-177.7	0	0	0	108.1	I763 V788 H789 I791 I823 L825	I763-L937 HydrophobicContact CG2-CD1 3.87Å; V788-L937 CarbonylContact C-O 3.59Å; V788-L937 VanDerWaalsContact CA-O 3.24Å; V788-L937 WeakPolarHBondContact CA-O 3.19Å; H789-L937 PolarHBondContact N-O 3.18Å; H789-L937 PolarHBondContact O-N 3.05Å; I791-L937 HydrophobicContact CD1-CD1 3.97Å; I791-L937 HydrophobicContact CD1-CD2 4.29Å; I791-L937 HydrophobicContact CD1-CG 4.42Å; I791-L937 HydrophobicContact CG1-CD1 4.25Å; I791-L937 HydrophobicContact CG1-CD2 4.44Å; I791-L937 HydrophobicContact CG1-CG 4.34Å; I823-L937 HydrophobicContact CD1-CD1 4.45Å; I823-L937 HydrophobicContact CD1-CD2 4.39Å; L825-L937 HydrophobicContact CD2-CD2 3.4Å; L825-L937 VanDerWaalsContact CD2-CD2 3.4Å
938	W	85.8	Confident	81.3	Confident	1 Å²	1	44.8 Å²	44.8	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	110.7	161.3	-179.3	-85.6	0	0	0	108.5	I337 V340 G786 H787 V788 I823 S824 L826 H940	I337-W938 HydrophobicContact CB-CD2 4.38Å; I337-W938 HydrophobicContact CB-CH2 4.23Å; I337-W938 HydrophobicContact CB-CZ2 3.71Å; I337-W938 HydrophobicContact CD1-CG 4.38Å; I337-W938 HydrophobicContact CG1-CD2 4.13Å; I337-W938 HydrophobicContact CG1-CG 4.35Å; I337-W938 HydrophobicContact CG1-CZ2 4.34Å; V340-W938 HydrophobicContact CG2-CE3 4.03Å; V340-W938 HydrophobicContact CG2-CZ3 4.02Å; G786-W938 VanDerWaalsContact C-CZ2 3.4Å; G786-W938 VanDerWaalsContact CA-CZ2 3.49Å; G786-W938 WeakPolarHBondContact O-CH2 3.38Å; H787-W938 CarbonylContact O-C 3.58Å; H787-W938 WeakPolarHBondContact O-CA 3.43Å; V788-W938 HydrophobicContact CG2-CE3 4Å; V788-W938 HydrophobicContact CG2-CZ3 4.37Å; I823-W938 CarbonylContact C-O 3.59Å; I823-W938 VanDerWaalsContact CA-O 3.26Å; I823-W938 WeakPolarHBondContact CA-O 3.15Å; S824-W938 PolarHBondContact N-O 3.48Å; S824-W938 PolarHBondContact O-N 2.83Å; L826-W938 HydrophobicContact CD1-CB 4.14Å; L826-W938 HydrophobicContact CD2-CB 4.07Å; L826-W938 HydrophobicContact CG-CB 4.23Å; W938-H940 AromaticContact CD1-CE1 3.86Å; W938-H940 AromaticContact CD1-ND1 3.65Å; W938-H940 AromaticContact NE1-ND1 3.63Å
939	I	85.9	Confident	81	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	127.1	171.7	-64.2	171	0	0	0	107.4	F764 F767 G786 H787 H789 I823 V944 I946	F764-I939 HydrophobicContact CD1-CD1 4.03Å; F764-I939 HydrophobicContact CE1-CD1 4.02Å; F764-I939 HydrophobicContact CE1-CG1 4.19Å; F767-I939 HydrophobicContact CB-CD1 4.43Å; F767-I939 HydrophobicContact CD1-CD1 3.75Å; F767-I939 HydrophobicContact CD2-CD1 3.65Å; F767-I939 HydrophobicContact CE1-CB 4.43Å; F767-I939 HydrophobicContact CE1-CD1 3.86Å; F767-I939 HydrophobicContact CE1-CG2 4.02Å; F767-I939 HydrophobicContact CE2-CD1 3.77Å; F767-I939 HydrophobicContact CG-CD1 3.64Å; F767-I939 HydrophobicContact CZ-CB 4.28Å; F767-I939 HydrophobicContact CZ-CD1 3.87Å; F767-I939 HydrophobicContact CZ-CG2 4.33Å; G786-I939 CarbonylContact C-O 3.15Å; G786-I939 WeakPolarHBondContact CA-O 3.49Å; H787-I939 PolarHBondContact N-O 2.91Å; H787-I939 PolarHBondContact O-N 3.46Å; H789-I939 HydrophobicContact CB-CD1 3.76Å; H789-I939 HydrophobicContact CB-CG1 4.47Å; I823-I939 HydrophobicContact CG2-CG1 4.07Å; I939-V944 HydrophobicContact CG2-CG2 4.05Å; I939-I946 HydrophobicContact CD1-CD1 4.49Å; I939-I946 HydrophobicContact CG2-CD1 4.15Å
940	H	82.5	Confident	80.7	Confident	46 Å²	46	50 Å²	50	21%	0.213	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	131.7	-176.1	-71	-78.5	0	0	0	111.8	I337 P821 I822 S824 W938 S942 E943	I337-H940 WeakPolarHBondContact CD1-CE1 3.46Å; P821-H940 PolarHBondContact O-CD2 2.97Å; I822-H940 PolarHBondContact O-N 3.31Å; S824-H940 WeakPolarHBondContact CA-NE2 3.37Å; S824-H940 WeakPolarHBondContact CB-NE2 3.46Å; S824-H940 PolarHBondContact N-NE2 3.36Å; S824-H940 PolarHBondContact OG-CE1 2.86Å; S824-H940 PolarHBondContact OG-NE2 3.21Å; W938-H940 AromaticContact CD1-CE1 3.86Å; W938-H940 AromaticContact CD1-ND1 3.65Å; W938-H940 AromaticContact NE1-ND1 3.63Å; H940-S942 PolarHBondContact O-N 2.82Å; H940-E943 PolarHBondContact O-N 2.7Å
941	G	71.1	Confident	80.6	Confident	6 Å²	6	49.4 Å²	49.4	6%	0.062	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-68.6	-21.7	-169.7	0	0	0	0	0	114.8	C784 Q785 G786 E943 V944	C784-G941 CarbonylContact O-C 3.58Å; C784-G941 VanDerWaalsContact O-CA 3.31Å; C784-G941 WeakPolarHBondContact O-CA 3.2Å; Q785-G941 PolarHBondContact O-N 2.73Å; Q785-G941 VanDerWaalsContact O-N 3.13Å; G786-G941 VanDerWaalsContact CA-N 3.26Å; G941-E943 PolarHBondContact O-N 3.02Å; G941-E943 VanDerWaalsContact O-N 3.16Å; G941-V944 PolarHBondContact O-N 3.3Å; G941-V944 VanDerWaalsContact O-N 3.14Å
942	S	66.7	Low	80.6	Confident	102 Å²	102	50.1 Å²	50.1	71%	0.713	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-60.9	-15.6	169.3	50.9	0	0	0	0	114	H940	H940-S942 PolarHBondContact O-N 2.82Å
943	E	61.8	Low	80.8	Confident	19 Å²	19	48.4 Å²	48.4	9%	0.089	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-111.5	21.2	177.3	-53.7	-160.5	172.1	0	0	112.8	I822 H940 G941 P945 I946 R950	I822-E943 WeakPolarHBondContact CA-OE2 3.24Å; I822-E943 WeakPolarHBondContact CB-OE2 3.3Å; I822-E943 VanDerWaalsContact CG1-OE2 3.25Å; I822-E943 WeakPolarHBondContact CG1-OE2 3.47Å; I822-E943 WeakPolarHBondContact CG2-OE2 3.46Å; H940-E943 PolarHBondContact O-N 2.7Å; G941-E943 PolarHBondContact O-N 3.02Å; G941-E943 VanDerWaalsContact O-N 3.16Å; E943-P945 CarbonylContact O-C 3.58Å; E943-I946 WeakPolarHBondContact O-CA 3.48Å; E943-I946 VanDerWaalsContact O-CG1 3.23Å; E943-I946 WeakPolarHBondContact O-CG1 3.42Å; E943-I946 PolarHBondContact O-N 3.13Å; E943-R950 VanDerWaalsContact CD-NE 3.28Å; E943-R950 IonicContact OE1-CZ 3.56Å; E943-R950 IonicContact OE1-NE 2.92Å; E943-R950 PolarHBondContact OE1-NE 2.85Å; E943-R950 IonicContact OE1-NH2 2.68Å; E943-R950 PolarHBondContact OE1-NH2 3.36Å; E943-R950 IonicContact OE2-CZ 3.21Å; E943-R950 IonicContact OE2-NE 2.67Å; E943-R950 PolarHBondContact OE2-NE 2.93Å; E943-R950 IonicContact OE2-NH2 3.53Å
944	V	62.1	Low	80.9	Confident	19 Å²	19	42.7 Å²	42.7	12%	0.115	24%	0.239	C	C	.	.			trans	-114.7	117.4	-179.8	-176.1	0	0	0	0	110.3	F767 C769 I939 G941	F767-V944 HydrophobicContact CE1-CG1 4.37Å; F767-V944 HydrophobicContact CE1-CG2 4.02Å; C769-V944 HydrophobicContact CB-CG1 3.87Å; I939-V944 HydrophobicContact CG2-CG2 4.05Å; G941-V944 PolarHBondContact O-N 3.3Å; G941-V944 VanDerWaalsContact O-N 3.14Å
945	P	66.7	Low	81.2	Confident	96 Å²	96	43.4 Å²	43.4	62%	0.623	24%	0.243	S	C	*	.	S	Bend	cis	-73.5	143	5.4	31.2	-36.4	0	0	0	113.6	E943 T947	E943-P945 CarbonylContact O-C 3.58Å; P945-T947 PolarHBondContact O-N 2.84Å; P945-T947 VanDerWaalsContact O-N 3.15Å
946	I	73.8	Confident	81.5	Confident	32 Å²	32	46.5 Å²	46.5	16%	0.164	26%	0.261	C	S	.	.			trans	-70.9	111.3	179.9	-53.9	172	0	0	0	108.3	F764 F767 I939 E943 L951	F764-I946 HydrophobicContact CB-CD1 3.99Å; F764-I946 HydrophobicContact CD1-CD1 3.46Å; F764-I946 VanDerWaalsContact CD1-CD1 3.46Å; F764-I946 HydrophobicContact CE1-CD1 4.18Å; F764-I946 HydrophobicContact CG-CD1 3.96Å; F767-I946 HydrophobicContact CD1-CD1 3.9Å; F767-I946 HydrophobicContact CE1-CD1 4.45Å; I939-I946 HydrophobicContact CD1-CD1 4.49Å; I939-I946 HydrophobicContact CG2-CD1 4.15Å; E943-I946 WeakPolarHBondContact O-CA 3.48Å; E943-I946 VanDerWaalsContact O-CG1 3.23Å; E943-I946 WeakPolarHBondContact O-CG1 3.42Å; E943-I946 PolarHBondContact O-N 3.13Å; I946-L951 HydrophobicContact CG2-CD1 4.28Å; I946-L951 HydrophobicContact CG2-CD2 3.72Å; I946-L951 HydrophobicContact CG2-CG 3.76Å
947	T	80.5	Confident	81.7	Confident	71 Å²	71	47.9 Å²	47.9	44%	0.436	27%	0.266	S	S	.	.			trans	-75.8	150.9	-178.3	69.3	0	0	0	0	111.5	P945 E949 R950 L951	P945-T947 PolarHBondContact O-N 2.84Å; P945-T947 VanDerWaalsContact O-N 3.15Å; T947-E949 PolarHBondContact O-N 3.39Å; T947-R950 PolarHBondContact O-N 3.07Å; T947-R950 VanDerWaalsContact O-N 3.11Å; T947-R950 WeakPolarHBondContact OG1-CB 3.48Å; T947-R950 PolarHBondContact OG1-N 3.01Å; T947-R950 VanDerWaalsContact OG1-N 3.15Å; T947-L951 PolarHBondContact O-N 2.53Å; T947-L951 VanDerWaalsContact O-N 3.1Å
948	N	83.7	Confident	81.8	Confident	125 Å²	125	48 Å²	48	67%	0.668	27%	0.267	S	S	*	.	H	α-helix	trans	-59.7	-34.8	174.2	-70	-44.1	0	0	0	111.6	R950 L951 D952	N948-R950 VanDerWaalsContact C-N 3.35Å; N948-R950 PolarHBondContact O-N 2.88Å; N948-L951 PolarHBondContact O-N 2.89Å; N948-D952 WeakPolarHBondContact O-CB 3.34Å; N948-D952 PolarHBondContact O-N 3.15Å
949	E	86	Confident	82.1	Confident	156 Å²	156	49.4 Å²	49.4	73%	0.729	28%	0.275	S	S	*	.	H	α-helix	trans	-62	-40.3	175.3	-61.1	174	166.4	0	0	111.9	T947 D952 T953	T947-E949 PolarHBondContact O-N 3.39Å; E949-D952 PolarHBondContact O-N 3.12Å; E949-T953 WeakPolarHBondContact O-CB 3.06Å; E949-T953 PolarHBondContact O-N 3.27Å; E949-T953 PolarHBondContact O-OG1 3.02Å
950	R	85.4	Confident	82.3	Confident	44 Å²	44	52.8 Å²	52.8	17%	0.166	29%	0.293	C	S	.	.	H	α-helix	trans	-66.9	-40.9	175.7	-168.9	71.4	-170.8	90.6	11.5	111.3	E817 N820 I822 E943 T947 N948 T953 C954	E817-R950 VanDerWaalsContact CD-NH1 3.32Å; E817-R950 IonicContact OE1-CZ 3.63Å; E817-R950 IonicContact OE1-NH1 3.65Å; E817-R950 PolarHBondContact OE1-NH1 3.2Å; E817-R950 IonicContact OE1-NH2 3.49Å; E817-R950 IonicContact OE2-CZ 3.49Å; E817-R950 IonicContact OE2-NH1 3.53Å; E817-R950 PolarHBondContact OE2-NH1 3.02Å; E817-R950 IonicContact OE2-NH2 2.66Å; E817-R950 PolarHBondContact OE2-NH2 3.11Å; N820-R950 PolarHBondContact O-NH2 2.94Å; I822-R950 HydrophobicContact CD1-CG 4.13Å; E943-R950 VanDerWaalsContact CD-NE 3.28Å; E943-R950 IonicContact OE1-CZ 3.56Å; E943-R950 IonicContact OE1-NE 2.92Å; E943-R950 PolarHBondContact OE1-NE 2.85Å; E943-R950 IonicContact OE1-NH2 2.68Å; E943-R950 PolarHBondContact OE1-NH2 3.36Å; E943-R950 IonicContact OE2-CZ 3.21Å; E943-R950 IonicContact OE2-NE 2.67Å; E943-R950 PolarHBondContact OE2-NE 2.93Å; E943-R950 IonicContact OE2-NH2 3.53Å; T947-R950 PolarHBondContact O-N 3.07Å; T947-R950 VanDerWaalsContact O-N 3.11Å; T947-R950 WeakPolarHBondContact OG1-CB 3.48Å; T947-R950 PolarHBondContact OG1-N 3.01Å; T947-R950 VanDerWaalsContact OG1-N 3.15Å; N948-R950 VanDerWaalsContact C-N 3.35Å; N948-R950 PolarHBondContact O-N 2.88Å; R950-T953 WeakPolarHBondContact O-CB 3.43Å; R950-T953 PolarHBondContact O-N 3.44Å; R950-C954 WeakPolarHBondContact O-CB 3.18Å; R950-C954 PolarHBondContact O-N 3.46Å
951	L	87.7	Confident	82.5	Confident	25 Å²	25	53.4 Å²	53.4	13%	0.131	29%	0.293	C	S	.	.	H	α-helix	trans	-65.4	-40.8	174.5	-67.7	178.1	0	0	0	112.6	L760 F764 I946 T947 N948 C954 L955	L760-L951 HydrophobicContact CB-CD2 4.43Å; F764-L951 HydrophobicContact CB-CD2 4.27Å; F764-L951 HydrophobicContact CD2-CD2 3.65Å; F764-L951 HydrophobicContact CE2-CD2 4.29Å; F764-L951 HydrophobicContact CG-CD2 4.17Å; I946-L951 HydrophobicContact CG2-CD1 4.28Å; I946-L951 HydrophobicContact CG2-CD2 3.72Å; I946-L951 HydrophobicContact CG2-CG 3.76Å; T947-L951 PolarHBondContact O-N 2.53Å; T947-L951 VanDerWaalsContact O-N 3.1Å; N948-L951 PolarHBondContact O-N 2.89Å; L951-C954 PolarHBondContact O-N 3.42Å; L951-L955 VanDerWaalsContact O-CB 3.26Å; L951-L955 WeakPolarHBondContact O-CB 3.42Å; L951-L955 PolarHBondContact O-N 3.47Å
952	D	90.6	Very high	83.3	Confident	55 Å²	55	54.2 Å²	54.2	29%	0.294	30%	0.296	S	S	.	.	H	α-helix	trans	-74.4	-27.8	177.7	-78.7	-36.4	0	0	0	112.4	K757 N948 E949 L955 T956	K757-D952 WeakPolarHBondContact CE-OD1 3.46Å; K757-D952 IonicContact NZ-OD1 3.64Å; K757-D952 PolarHBondContact NZ-OD1 3.45Å; K757-D952 IonicContact NZ-OD2 3.68Å; K757-D952 PolarHBondContact NZ-OD2 3.5Å; N948-D952 WeakPolarHBondContact O-CB 3.34Å; N948-D952 PolarHBondContact O-N 3.15Å; E949-D952 PolarHBondContact O-N 3.12Å; D952-L955 WeakPolarHBondContact OD1-CD2 3.35Å; D952-T956 WeakPolarHBondContact O-CB 3.32Å; D952-T956 PolarHBondContact O-N 3Å; D952-T956 PolarHBondContact O-OG1 3.46Å
953	T	90.4	Very high	84.3	Confident	75 Å²	75	53.3 Å²	53.3	46%	0.46	28%	0.28	S	S	.	.	H	α-helix	trans	-62.5	-52.6	165.9	-56.4	0	0	0	0	110.8	E949 R950 L955 T956 Y957	E949-T953 WeakPolarHBondContact O-CB 3.06Å; E949-T953 PolarHBondContact O-N 3.27Å; E949-T953 PolarHBondContact O-OG1 3.02Å; R950-T953 WeakPolarHBondContact O-CB 3.43Å; R950-T953 PolarHBondContact O-N 3.44Å; T953-L955 VanDerWaalsContact C-N 3.33Å; T953-L955 PolarHBondContact O-N 3.08Å; T953-T956 WeakPolarHBondContact O-CB 3.46Å; T953-T956 PolarHBondContact O-N 3.47Å; T953-T956 VanDerWaalsContact O-N 3.16Å; T953-Y957 PolarHBondContact O-N 3.06Å
954	C	90.2	Very high	85.5	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.5	-38.4	178	173.9	0	0	0	0	112.3	I822 R950 L951 T956 Y957 L958	I822-C954 HydrophobicContact CD1-CB 3.66Å; R950-C954 WeakPolarHBondContact O-CB 3.18Å; R950-C954 PolarHBondContact O-N 3.46Å; L951-C954 PolarHBondContact O-N 3.42Å; C954-T956 VanDerWaalsContact C-N 3.35Å; C954-T956 PolarHBondContact O-N 3.28Å; C954-Y957 PolarHBondContact O-N 2.89Å; C954-L958 WeakPolarHBondContact O-CB 3.08Å; C954-L958 VanDerWaalsContact O-CG 3.29Å; C954-L958 WeakPolarHBondContact O-CG 3.42Å; C954-L958 PolarHBondContact O-N 3.39Å
955	L	92.5	Very high	86.6	Confident	18 Å²	18	56.9 Å²	56.9	9%	0.094	30%	0.302	C	S	.	.	H	α-helix	trans	-57.8	-46.4	172.8	175.3	59.7	0	0	0	111.7	L756 K757 L760 L951 D952 T953 L958 N959	L756-L955 HydrophobicContact CB-CD1 3.32Å; L756-L955 HydrophobicContact CD1-CD1 4.33Å; L756-L955 HydrophobicContact CG-CD1 4.46Å; K757-L955 HydrophobicContact CB-CD1 4.38Å; K757-L955 HydrophobicContact CB-CD2 3.89Å; K757-L955 HydrophobicContact CD-CD2 3.93Å; K757-L955 HydrophobicContact CG-CD2 4.18Å; L760-L955 HydrophobicContact CD1-CB 3.85Å; L760-L955 HydrophobicContact CD1-CD1 4.45Å; L951-L955 VanDerWaalsContact O-CB 3.26Å; L951-L955 WeakPolarHBondContact O-CB 3.42Å; L951-L955 PolarHBondContact O-N 3.47Å; D952-L955 WeakPolarHBondContact OD1-CD2 3.35Å; T953-L955 VanDerWaalsContact C-N 3.33Å; T953-L955 PolarHBondContact O-N 3.08Å; L955-L958 PolarHBondContact O-N 2.88Å; L955-N959 VanDerWaalsContact O-CB 3.26Å; L955-N959 WeakPolarHBondContact O-CB 3.35Å; L955-N959 PolarHBondContact O-N 3.44Å
956	T	92.6	Very high	87.5	Confident	81 Å²	81	52.9 Å²	52.9	50%	0.497	28%	0.275	S	S	.	.	H	α-helix	trans	-63.5	-46.3	178	-56.9	0	0	0	0	110.8	D952 T953 C954 N959 N960	D952-T956 WeakPolarHBondContact O-CB 3.32Å; D952-T956 PolarHBondContact O-N 3Å; D952-T956 PolarHBondContact O-OG1 3.46Å; T953-T956 WeakPolarHBondContact O-CB 3.46Å; T953-T956 PolarHBondContact O-N 3.47Å; T953-T956 VanDerWaalsContact O-N 3.16Å; C954-T956 VanDerWaalsContact C-N 3.35Å; C954-T956 PolarHBondContact O-N 3.28Å; T956-N959 PolarHBondContact O-N 3.45Å; T956-N960 WeakPolarHBondContact O-CB 3.38Å; T956-N960 PolarHBondContact O-N 3Å; T956-N960 PolarHBondContact O-ND2 3.19Å; T956-N960 PolarHBondContact O-OD1 3.03Å
957	Y	91.4	Very high	88.1	Confident	35 Å²	35	55.5 Å²	55.5	14%	0.137	29%	0.287	C	S	.	.	H	α-helix	trans	-58	-51.5	174.6	172.8	-106.5	0	0	0	112.4	Y813 L816 E817 P818 T953 C954 N959 N960 R961	Y813-Y957 WeakPolarHBondContact O-CE1 3.34Å; L816-Y957 PolarHBondContact O-OH 3.25Å; E817-Y957 HydrophobicContact CB-CD1 4.29Å; E817-Y957 HydrophobicContact CB-CE1 4.05Å; E817-Y957 HydrophobicContact CG-CD1 3.99Å; E817-Y957 HydrophobicContact CG-CE1 4.17Å; E817-Y957 HydrophobicContact CG-CG 4.22Å; P818-Y957 HydrophobicContact CG-CE2 4.39Å; T953-Y957 PolarHBondContact O-N 3.06Å; C954-Y957 PolarHBondContact O-N 2.89Å; Y957-N959 PolarHBondContact O-N 2.96Å; Y957-N960 PolarHBondContact O-N 2.84Å; Y957-R961 HydrophobicContact CD1-CG 4.47Å; Y957-R961 HydrophobicContact CD2-CG 4.17Å; Y957-R961 HydrophobicContact CE1-CG 4.08Å; Y957-R961 HydrophobicContact CE2-CG 3.73Å; Y957-R961 VanDerWaalsContact CE2-NE 3.3Å; Y957-R961 WeakPolarHBondContact O-CB 3.25Å; Y957-R961 WeakPolarHBondContact O-CG 3.47Å; Y957-R961 PolarHBondContact O-N 3.26Å; Y957-R961 PolarHBondContact OH-NE 2.95Å; Y957-R961 PolarHBondContact OH-NH2 2.93Å
958	L	90.8	Very high	88.3	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-62.6	-41.7	179.8	-73.6	177.8	0	0	0	112.6	L760 I810 I814 C954 L955 R961 L962	L760-L958 HydrophobicContact CD2-CD1 4.23Å; I810-L958 HydrophobicContact CG2-CD1 3.95Å; I810-L958 HydrophobicContact CG2-CD2 4.11Å; I814-L958 HydrophobicContact CD1-CD1 4.15Å; I814-L958 HydrophobicContact CG1-CD1 3.92Å; I814-L958 HydrophobicContact CG1-CD2 4.02Å; I814-L958 HydrophobicContact CG1-CG 4.36Å; C954-L958 WeakPolarHBondContact O-CB 3.08Å; C954-L958 VanDerWaalsContact O-CG 3.29Å; C954-L958 WeakPolarHBondContact O-CG 3.42Å; C954-L958 PolarHBondContact O-N 3.39Å; L955-L958 PolarHBondContact O-N 2.88Å; L958-R961 PolarHBondContact O-N 3.01Å; L958-L962 WeakPolarHBondContact O-CB 3.47Å; L958-L962 WeakPolarHBondContact O-CG 3.32Å; L958-L962 PolarHBondContact O-N 3.41Å
959	N	92	Very high	88.3	Confident	32 Å²	32	48.8 Å²	48.8	17%	0.171	26%	0.256	C	S	.	.	H	α-helix	trans	-60.3	-49	175.9	176.5	84.9	0	0	0	110.8	L756 L955 T956 Y957 R961 L962 Q963	L756-N959 HydrophobicContact CD1-CB 4.15Å; L955-N959 VanDerWaalsContact O-CB 3.26Å; L955-N959 WeakPolarHBondContact O-CB 3.35Å; L955-N959 PolarHBondContact O-N 3.44Å; T956-N959 PolarHBondContact O-N 3.45Å; Y957-N959 PolarHBondContact O-N 2.96Å; N959-R961 PolarHBondContact O-N 3.38Å; N959-L962 PolarHBondContact O-N 3.45Å; N959-Q963 VanDerWaalsContact ND2-CD 3.31Å; N959-Q963 PolarHBondContact ND2-NE2 2.9Å; N959-Q963 VanDerWaalsContact ND2-NE2 3.1Å; N959-Q963 PolarHBondContact ND2-OE1 2.9Å; N959-Q963 WeakPolarHBondContact O-CG 3.34Å; N959-Q963 PolarHBondContact O-N 2.95Å
960	N	90.8	Very high	88.4	Confident	70 Å²	70	42 Å²	42	37%	0.374	22%	0.224	S	C	.	.	H	α-helix	trans	-64	-40.9	-179.6	-65.1	-1.8	0	0	0	111.3	T956 Y957 Q963 Q964	T956-N960 WeakPolarHBondContact O-CB 3.38Å; T956-N960 PolarHBondContact O-N 3Å; T956-N960 PolarHBondContact O-ND2 3.19Å; T956-N960 PolarHBondContact O-OD1 3.03Å; Y957-N960 PolarHBondContact O-N 2.84Å; N960-Q963 PolarHBondContact O-N 3.1Å; N960-Q964 VanDerWaalsContact O-CB 3.28Å; N960-Q964 WeakPolarHBondContact O-CB 3.44Å; N960-Q964 WeakPolarHBondContact O-CG 3.24Å; N960-Q964 PolarHBondContact O-N 2.81Å
961	R	86.3	Confident	88.3	Confident	60 Å²	60	44 Å²	44	23%	0.226	24%	0.238	C	C	.	.	H	α-helix	trans	-62	-41.5	174.8	-74.4	-59.1	-156.3	177.6	9.3	113.1	Y957 L958 N959 A965	Y957-R961 HydrophobicContact CD1-CG 4.47Å; Y957-R961 HydrophobicContact CD2-CG 4.17Å; Y957-R961 HydrophobicContact CE1-CG 4.08Å; Y957-R961 HydrophobicContact CE2-CG 3.73Å; Y957-R961 VanDerWaalsContact CE2-NE 3.3Å; Y957-R961 WeakPolarHBondContact O-CB 3.25Å; Y957-R961 WeakPolarHBondContact O-CG 3.47Å; Y957-R961 PolarHBondContact O-N 3.26Å; Y957-R961 PolarHBondContact OH-NE 2.95Å; Y957-R961 PolarHBondContact OH-NH2 2.93Å; L958-R961 PolarHBondContact O-N 3.01Å; N959-R961 PolarHBondContact O-N 3.38Å; R961-A965 WeakPolarHBondContact O-CB 3.32Å; R961-A965 PolarHBondContact O-N 3.41Å
962	L	87.8	Confident	88.2	Confident	22 Å²	22	43.2 Å²	43.2	12%	0.115	24%	0.235	C	C	.	.	H	α-helix	trans	-71.4	-38.9	179	-72	169.3	0	0	0	111.9	L756 Y813 L958 N959 A965 E966	L756-L962 HydrophobicContact CD1-CD1 4.05Å; L756-L962 HydrophobicContact CD2-CD1 3.88Å; Y813-L962 HydrophobicContact CE2-CD2 4.24Å; L958-L962 WeakPolarHBondContact O-CB 3.47Å; L958-L962 WeakPolarHBondContact O-CG 3.32Å; L958-L962 PolarHBondContact O-N 3.41Å; N959-L962 PolarHBondContact O-N 3.45Å; L962-A965 PolarHBondContact O-N 3.39Å; L962-E966 WeakPolarHBondContact O-CG 3.48Å; L962-E966 PolarHBondContact O-N 2.86Å
963	Q	88.4	Confident	88	Confident	83 Å²	83	40.9 Å²	40.9	39%	0.388	22%	0.222	S	C	.	.	H	α-helix	trans	-61	-48.9	172.4	-71.7	176	-9.4	0	0	111.4	N959 N960 A965 E966 E967	N959-Q963 VanDerWaalsContact ND2-CD 3.31Å; N959-Q963 PolarHBondContact ND2-NE2 2.9Å; N959-Q963 VanDerWaalsContact ND2-NE2 3.1Å; N959-Q963 PolarHBondContact ND2-OE1 2.9Å; N959-Q963 WeakPolarHBondContact O-CG 3.34Å; N959-Q963 PolarHBondContact O-N 2.95Å; N960-Q963 PolarHBondContact O-N 3.1Å; Q963-A965 VanDerWaalsContact C-N 3.34Å; Q963-A965 PolarHBondContact O-N 3.19Å; Q963-E966 PolarHBondContact O-N 3.01Å; Q963-E967 WeakPolarHBondContact O-CB 3.5Å; Q963-E967 WeakPolarHBondContact O-CG 3.29Å; Q963-E967 PolarHBondContact O-N 2.79Å
964	Q	86.5	Confident	87.6	Confident	76 Å²	76	39.7 Å²	39.7	36%	0.355	21%	0.211	S	C	.	.	H	α-helix	trans	-56.4	-43.2	175.4	-78.6	171.8	-2.6	0	0	113	W506 N960 E967 A968	W506-Q964 HydrophobicContact CH2-CB 3.76Å; W506-Q964 HydrophobicContact CH2-CG 4.05Å; W506-Q964 HydrophobicContact CZ3-CB 3.79Å; W506-Q964 HydrophobicContact CZ3-CG 4.48Å; N960-Q964 VanDerWaalsContact O-CB 3.28Å; N960-Q964 WeakPolarHBondContact O-CB 3.44Å; N960-Q964 WeakPolarHBondContact O-CG 3.24Å; N960-Q964 PolarHBondContact O-N 2.81Å; Q964-E967 PolarHBondContact O-N 2.72Å; Q964-A968 WeakPolarHBondContact O-CB 3.41Å; Q964-A968 PolarHBondContact O-N 3.06Å
965	A	83.7	Confident	87.3	Confident	38 Å²	38	43.8 Å²	43.8	31%	0.314	23%	0.23	S	C	.	.	H	α-helix	trans	-69.1	-35.7	178.1	0	0	0	0	0	112.8	R961 L962 Q963 A969	R961-A965 WeakPolarHBondContact O-CB 3.32Å; R961-A965 PolarHBondContact O-N 3.41Å; L962-A965 PolarHBondContact O-N 3.39Å; Q963-A965 VanDerWaalsContact C-N 3.34Å; Q963-A965 PolarHBondContact O-N 3.19Å; A965-A969 WeakPolarHBondContact O-CB 3.35Å; A965-A969 PolarHBondContact O-N 2.95Å
966	E	86.6	Confident	87.1	Confident	12 Å²	12	42.9 Å²	42.9	6%	0.056	23%	0.226	C	C	.	.	H	α-helix	trans	-65.5	-46.5	171.3	-74.5	-177.4	-169	0	0	111.7	I746 H750 L962 Q963 A969 L970 R1119	I746-E966 HydrophobicContact CG2-CB 4.1Å; I746-E966 HydrophobicContact CG2-CG 3.93Å; H750-E966 WeakPolarHBondContact CB-OE1 3.39Å; H750-E966 IonicContact CE1-OE1 3.79Å; H750-E966 IonicContact CG-OE1 3.65Å; H750-E966 IonicContact ND1-OE1 2.84Å; H750-E966 PolarHBondContact ND1-OE1 2.86Å; H750-E966 IonicContact ND1-OE2 3.15Å; H750-E966 PolarHBondContact ND1-OE2 3.45Å; L962-E966 WeakPolarHBondContact O-CG 3.48Å; L962-E966 PolarHBondContact O-N 2.86Å; Q963-E966 PolarHBondContact O-N 3.01Å; E966-A969 PolarHBondContact O-N 3.23Å; E966-L970 WeakPolarHBondContact O-CB 3.29Å; E966-L970 WeakPolarHBondContact O-CG 3.22Å; E966-L970 PolarHBondContact O-N 2.83Å; E966-R1119 IonicContact OE2-CZ 2.69Å; E966-R1119 IonicContact OE2-NE 2.72Å; E966-R1119 IonicContact OE2-NH2 3.82Å; E966-R1119 PolarHBondContact OE2-NH2 2.94Å
967	E	87.2	Confident	86.7	Confident	87 Å²	87	39.2 Å²	39.2	41%	0.407	20%	0.203	S	C	.	.	H	α-helix	trans	-65.8	-44.1	-176.8	-76	162.2	-170.8	0	0	111.8	Q963 Q964 A969 L970 L971 R1119	Q963-E967 WeakPolarHBondContact O-CB 3.5Å; Q963-E967 WeakPolarHBondContact O-CG 3.29Å; Q963-E967 PolarHBondContact O-N 2.79Å; Q964-E967 PolarHBondContact O-N 2.72Å; E967-A969 VanDerWaalsContact C-N 3.32Å; E967-A969 PolarHBondContact O-N 2.92Å; E967-L970 PolarHBondContact O-N 3.39Å; E967-L971 WeakPolarHBondContact O-CB 3.42Å; E967-L971 VanDerWaalsContact O-CG 3.25Å; E967-L971 WeakPolarHBondContact O-CG 3.34Å; E967-L971 PolarHBondContact O-N 3.22Å; E967-R1119 IonicContact OE1-NH1 2.68Å
968	A	83.9	Confident	86.2	Confident	37 Å²	37	38.6 Å²	38.6	31%	0.306	20%	0.202	S	C	.	.	H	α-helix	trans	-57.8	-43.2	172.7	0	0	0	0	0	112.3	W506 Q964 S972	W506-A968 HydrophobicContact CE3-CB 4.37Å; Q964-A968 WeakPolarHBondContact O-CB 3.41Å; Q964-A968 PolarHBondContact O-N 3.06Å; A968-S972 WeakPolarHBondContact O-CB 3.42Å; A968-S972 PolarHBondContact O-N 3.18Å
969	A	84.5	Confident	85.9	Confident	18 Å²	18	38.8 Å²	38.8	15%	0.149	20%	0.204	C	C	.	.	H	α-helix	trans	-69.5	-37.4	178.7	0	0	0	0	0	112.8	I746 A965 E966 E967 S972 I973	I746-A969 VanDerWaalsContact CD1-C 3.49Å; I746-A969 HydrophobicContact CD1-CB 3.6Å; I746-A969 HydrophobicContact CG1-CB 3.81Å; I746-A969 HydrophobicContact CG2-CB 4.17Å; A965-A969 WeakPolarHBondContact O-CB 3.35Å; A965-A969 PolarHBondContact O-N 2.95Å; E966-A969 PolarHBondContact O-N 3.23Å; E967-A969 VanDerWaalsContact C-N 3.32Å; E967-A969 PolarHBondContact O-N 2.92Å; A969-S972 PolarHBondContact O-N 3.31Å; A969-I973 PolarHBondContact O-N 3.27Å
970	L	86.7	Confident	85.7	Confident	12 Å²	12	37.2 Å²	37.2	6%	0.063	20%	0.195	C	C	.	.	H	α-helix	trans	-67	-46.8	176.7	-68.7	167.8	0	0	0	110.8	R743 I746 F747 E966 E967 S972 I973 E974	R743-L970 HydrophobicContact CB-CD2 4.22Å; R743-L970 HydrophobicContact CG-CD2 4.15Å; I746-L970 HydrophobicContact CD1-CB 4.5Å; I746-L970 HydrophobicContact CD1-CD2 3.56Å; I746-L970 HydrophobicContact CD1-CG 3.9Å; I746-L970 HydrophobicContact CG2-CG 4.47Å; F747-L970 HydrophobicContact CE1-CD1 4.05Å; F747-L970 HydrophobicContact CE1-CD2 4.43Å; F747-L970 HydrophobicContact CE2-CD2 4.48Å; F747-L970 HydrophobicContact CZ-CD1 4.01Å; F747-L970 HydrophobicContact CZ-CD2 3.86Å; E966-L970 WeakPolarHBondContact O-CB 3.29Å; E966-L970 WeakPolarHBondContact O-CG 3.22Å; E966-L970 PolarHBondContact O-N 2.83Å; E967-L970 PolarHBondContact O-N 3.39Å; L970-S972 PolarHBondContact O-N 2.91Å; L970-I973 PolarHBondContact O-N 3.33Å; L970-E974 WeakPolarHBondContact O-CB 3.43Å; L970-E974 PolarHBondContact O-N 3.43Å
971	L	84.9	Confident	85.4	Confident	88 Å²	88	34.3 Å²	34.3	46%	0.461	18%	0.182	S	C	.	.	H	α-helix	trans	-59	-35.9	173.8	-71.5	169	0	0	0	111.8	E967 E974 Q975	E967-L971 WeakPolarHBondContact O-CB 3.42Å; E967-L971 VanDerWaalsContact O-CG 3.25Å; E967-L971 WeakPolarHBondContact O-CG 3.34Å; E967-L971 PolarHBondContact O-N 3.22Å; L971-E974 PolarHBondContact O-N 3.44Å; L971-Q975 WeakPolarHBondContact O-CB 3.29Å; L971-Q975 VanDerWaalsContact O-CG 3.25Å; L971-Q975 WeakPolarHBondContact O-CG 3.36Å; L971-Q975 PolarHBondContact O-N 3.06Å
972	S	85.5	Confident	85.1	Confident	8 Å²	8	31.7 Å²	31.7	6%	0.056	17%	0.173	C	C	.	.	H	α-helix	trans	-70.1	-35.5	179.3	-151.9	0	0	0	0	113.4	N508 S704 A968 A969 L970 L976	N508-S972 PolarHBondContact ND2-OG 3.02Å; N508-S972 VanDerWaalsContact ND2-OG 3.12Å; S704-S972 WeakPolarHBondContact CB-OG 3.43Å; A968-S972 WeakPolarHBondContact O-CB 3.42Å; A968-S972 PolarHBondContact O-N 3.18Å; A969-S972 PolarHBondContact O-N 3.31Å; L970-S972 PolarHBondContact O-N 2.91Å; S972-L976 WeakPolarHBondContact O-CB 3.1Å; S972-L976 PolarHBondContact O-N 2.96Å
973	I	85.5	Confident	84.9	Confident	6 Å²	6	30.9 Å²	30.9	3%	0.031	17%	0.169	C	C	.	.	H	α-helix	trans	-66.1	-44.7	169.9	-66.1	172.5	0	0	0	110.2	K703 I742 I746 A969 L970 L976 T977	K703-I973 WeakPolarHBondContact O-CG1 3.47Å; I742-I973 HydrophobicContact CG2-CD1 4.2Å; I742-I973 HydrophobicContact CG2-CG2 4.07Å; I746-I973 HydrophobicContact CD1-CD1 3.45Å; I746-I973 VanDerWaalsContact CD1-CD1 3.45Å; I746-I973 HydrophobicContact CD1-CG1 4.4Å; I746-I973 HydrophobicContact CG1-CD1 4.35Å; A969-I973 PolarHBondContact O-N 3.27Å; L970-I973 PolarHBondContact O-N 3.33Å; I973-L976 PolarHBondContact O-N 3.49Å; I973-T977 VanDerWaalsContact O-CB 3.22Å; I973-T977 WeakPolarHBondContact O-CB 3.35Å; I973-T977 PolarHBondContact O-N 2.92Å; I973-T977 PolarHBondContact O-OG1 3.32Å
974	E	82.6	Confident	84.8	Confident	49 Å²	49	27.4 Å²	27.4	23%	0.229	16%	0.155	C	C	.	.	H	α-helix	trans	-64.3	-49	-177.3	169.7	164.5	-167.9	0	0	112.4	L970 L971 L976 T977 L978 Y1048	L970-E974 WeakPolarHBondContact O-CB 3.43Å; L970-E974 PolarHBondContact O-N 3.43Å; L971-E974 PolarHBondContact O-N 3.44Å; E974-L976 VanDerWaalsContact C-N 3.33Å; E974-L976 PolarHBondContact O-N 3.44Å; E974-T977 WeakPolarHBondContact O-CB 3.39Å; E974-T977 PolarHBondContact O-N 2.92Å; E974-T977 VanDerWaalsContact O-N 3.14Å; E974-L978 HydrophobicContact CG-CD1 3.82Å; E974-L978 HydrophobicContact CG-CG 4.48Å; E974-L978 WeakPolarHBondContact O-CB 3.4Å; E974-L978 VanDerWaalsContact O-CG 3.28Å; E974-L978 WeakPolarHBondContact O-CG 3.17Å; E974-L978 PolarHBondContact O-N 3.22Å; E974-Y1048 HydrophobicContact CB-CE1 4.34Å; E974-Y1048 HydrophobicContact CG-CD1 4.3Å; E974-Y1048 HydrophobicContact CG-CE1 3.68Å
975	Q	83.9	Confident	84.9	Confident	86 Å²	86	25 Å²	25	40%	0.402	14%	0.143	S	C	.	.	H	α-helix	trans	-61	-40.2	177.3	-68.8	175.2	9.2	0	0	112.3	F705 L971 A979 H1025	F705-Q975 HydrophobicContact CD2-CB 4.44Å; F705-Q975 HydrophobicContact CE2-CB 3.8Å; L971-Q975 WeakPolarHBondContact O-CB 3.29Å; L971-Q975 VanDerWaalsContact O-CG 3.25Å; L971-Q975 WeakPolarHBondContact O-CG 3.36Å; L971-Q975 PolarHBondContact O-N 3.06Å; Q975-A979 VanDerWaalsContact O-CB 3.27Å; Q975-A979 WeakPolarHBondContact O-CB 3.39Å; Q975-A979 PolarHBondContact O-N 3.42Å; Q975-H1025 PolarHBondContact OE1-CE1 3.46Å; Q975-H1025 PolarHBondContact OE1-ND1 3.16Å
976	L	87.1	Confident	84.9	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65.4	-43.2	173.8	177	69.6	0	0	0	111.8	L701 T702 F705 Y708 S972 I973 E974 A979 L980	L701-L976 HydrophobicContact CD1-CD2 3.88Å; L701-L976 HydrophobicContact CD1-CG 4.21Å; L701-L976 HydrophobicContact CG-CD2 4.16Å; T702-L976 VanDerWaalsContact OG1-CD2 3.25Å; T702-L976 WeakPolarHBondContact OG1-CD2 3.28Å; F705-L976 HydrophobicContact CD1-CD1 3.65Å; F705-L976 HydrophobicContact CE1-CD1 3.76Å; F705-L976 HydrophobicContact CG-CD1 4.34Å; Y708-L976 HydrophobicContact CD1-CD1 4.25Å; Y708-L976 HydrophobicContact CD2-CD1 4.47Å; Y708-L976 HydrophobicContact CG-CD1 3.98Å; S972-L976 WeakPolarHBondContact O-CB 3.1Å; S972-L976 PolarHBondContact O-N 2.96Å; I973-L976 PolarHBondContact O-N 3.49Å; E974-L976 VanDerWaalsContact C-N 3.33Å; E974-L976 PolarHBondContact O-N 3.44Å; L976-A979 PolarHBondContact O-N 3.46Å; L976-L980 HydrophobicContact CD1-CD1 3.87Å; L976-L980 HydrophobicContact CD1-CG 4.23Å; L976-L980 HydrophobicContact CG-CD1 4.2Å; L976-L980 PolarHBondContact O-N 2.9Å
977	T	85.1	Confident	85	Confident	4 Å²	4	28.8 Å²	28.8	3%	0.025	17%	0.166	C	C	.	.	H	α-helix	trans	-59.3	-49.3	178.1	-67.9	0	0	0	0	111.1	L701 L732 I973 E974 G981 Y1048	L701-T977 WeakPolarHBondContact CD2-OG1 3.31Å; L732-T977 HydrophobicContact CD2-CG2 3.52Å; L732-T977 HydrophobicContact CG-CG2 3.95Å; I973-T977 VanDerWaalsContact O-CB 3.22Å; I973-T977 WeakPolarHBondContact O-CB 3.35Å; I973-T977 PolarHBondContact O-N 2.92Å; I973-T977 PolarHBondContact O-OG1 3.32Å; E974-T977 WeakPolarHBondContact O-CB 3.39Å; E974-T977 PolarHBondContact O-N 2.92Å; E974-T977 VanDerWaalsContact O-N 3.14Å; T977-G981 WeakPolarHBondContact O-CA 3.25Å; T977-G981 PolarHBondContact O-N 3.38Å; T977-Y1048 HydrophobicContact CG2-CD2 4.24Å; T977-Y1048 HydrophobicContact CG2-CE2 3.67Å
978	L	81.6	Confident	85.1	Confident	22 Å²	22	24.7 Å²	24.7	12%	0.115	15%	0.147	C	C	.	.	H	α-helix	trans	-62.4	-44.8	177.3	-71.1	165.6	0	0	0	111.8	E974 G981 A982 Q1045 Y1048	E974-L978 HydrophobicContact CG-CD1 3.82Å; E974-L978 HydrophobicContact CG-CG 4.48Å; E974-L978 WeakPolarHBondContact O-CB 3.4Å; E974-L978 VanDerWaalsContact O-CG 3.28Å; E974-L978 WeakPolarHBondContact O-CG 3.17Å; E974-L978 PolarHBondContact O-N 3.22Å; L978-G981 PolarHBondContact O-N 2.9Å; L978-A982 VanDerWaalsContact O-CB 3.27Å; L978-A982 WeakPolarHBondContact O-CB 3.48Å; L978-A982 PolarHBondContact O-N 3.41Å; L978-Q1045 HydrophobicContact CD1-CG 3.99Å; L978-Q1045 HydrophobicContact CD2-CB 4.42Å; L978-Q1045 HydrophobicContact CD2-CG 3.79Å; L978-Q1045 HydrophobicContact CG-CG 4.42Å; L978-Y1048 HydrophobicContact CD2-CD1 3.95Å; L978-Y1048 HydrophobicContact CD2-CG 3.86Å; L978-Y1048 HydrophobicContact CG-CD1 4.3Å
979	A	84	Confident	85.2	Confident	4 Å²	4	27.3 Å²	27.3	3%	0.033	15%	0.153	C	C	.	.	H	α-helix	trans	-67.7	-37.7	-177.3	0	0	0	0	0	113.8	F705 Q975 L976 I1021	F705-A979 HydrophobicContact CE1-CB 4.02Å; F705-A979 HydrophobicContact CZ-CB 3.56Å; Q975-A979 VanDerWaalsContact O-CB 3.27Å; Q975-A979 WeakPolarHBondContact O-CB 3.39Å; Q975-A979 PolarHBondContact O-N 3.42Å; L976-A979 PolarHBondContact O-N 3.46Å; A979-I1021 HydrophobicContact CB-CD1 4.06Å; A979-I1021 HydrophobicContact CB-CG2 3.73Å
980	L	87.6	Confident	85.2	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-79.2	-36	173.7	-66.2	176.2	0	0	0	111.5	L701 Y708 A726 L728 L976 A982 V983 A984 V1018	L701-L980 HydrophobicContact CD1-CD1 3.72Å; Y708-L980 HydrophobicContact CD2-CD1 4.45Å; Y708-L980 HydrophobicContact CE1-CD2 4.33Å; Y708-L980 HydrophobicContact CE2-CD1 4.03Å; A726-L980 HydrophobicContact CB-CD1 4.25Å; L728-L980 HydrophobicContact CD1-CB 4.13Å; L728-L980 HydrophobicContact CD2-CB 4.28Å; L976-L980 HydrophobicContact CD1-CD1 3.87Å; L976-L980 HydrophobicContact CD1-CG 4.23Å; L976-L980 HydrophobicContact CG-CD1 4.2Å; L976-L980 PolarHBondContact O-N 2.9Å; L980-A982 PolarHBondContact O-N 3.17Å; L980-V983 VanDerWaalsContact O-CG2 3.27Å; L980-V983 WeakPolarHBondContact O-CG2 3.24Å; L980-V983 PolarHBondContact O-N 3.4Å; L980-A984 WeakPolarHBondContact O-CB 3.44Å; L980-A984 PolarHBondContact O-N 3.14Å; L980-V1018 HydrophobicContact CD2-CG1 4.14Å
981	G	83.9	Confident	85.1	Confident	9 Å²	9	30 Å²	30	9%	0.093	17%	0.165	C	C	.	.	H	α-helix	trans	-63.5	-37.2	176.2	0	0	0	0	0	113.2	T977 L978 V983 A984	T977-G981 WeakPolarHBondContact O-CA 3.25Å; T977-G981 PolarHBondContact O-N 3.38Å; L978-G981 PolarHBondContact O-N 2.9Å; G981-V983 PolarHBondContact O-N 3.43Å; G981-V983 VanDerWaalsContact O-N 3.17Å; G981-A984 PolarHBondContact O-N 3.08Å
982	A	79.8	Confident	85.2	Confident	5 Å²	5	26.4 Å²	26.4	4%	0.041	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-9.4	175.2	0	0	0	0	0	114.9	L978 L980 L1040 I1041 C1044	L978-A982 VanDerWaalsContact O-CB 3.27Å; L978-A982 WeakPolarHBondContact O-CB 3.48Å; L978-A982 PolarHBondContact O-N 3.41Å; L980-A982 PolarHBondContact O-N 3.17Å; A982-L1040 WeakPolarHBondContact O-CD2 3.45Å; A982-I1041 HydrophobicContact CB-CB 4.42Å; A982-I1041 HydrophobicContact CB-CG1 3.64Å; A982-C1044 HydrophobicContact CB-CB 4.41Å
983	V	83.1	Confident	85	Confident	5 Å²	5	29.3 Å²	29.3	3%	0.03	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-5.9	172.7	-52.8	0	0	0	0	113.4	A588 L980 G981 Q985 W1014 V1017 V1018	A588-V983 HydrophobicContact CB-CG2 4.25Å; L980-V983 VanDerWaalsContact O-CG2 3.27Å; L980-V983 WeakPolarHBondContact O-CG2 3.24Å; L980-V983 PolarHBondContact O-N 3.4Å; G981-V983 PolarHBondContact O-N 3.43Å; G981-V983 VanDerWaalsContact O-N 3.17Å; V983-Q985 PolarHBondContact O-NE2 2.9Å; V983-W1014 HydrophobicContact CB-CB 4.28Å; V983-W1014 HydrophobicContact CB-CD2 4.46Å; V983-W1014 HydrophobicContact CB-CE3 4.04Å; V983-W1014 HydrophobicContact CG1-CE3 3.85Å; V983-V1017 HydrophobicContact CG1-CB 3.99Å; V983-V1017 HydrophobicContact CG1-CG1 4.07Å; V983-V1018 HydrophobicContact CB-CG2 4.18Å; V983-V1018 HydrophobicContact CG1-CG2 3.75Å; V983-V1018 HydrophobicContact CG2-CG2 3.49Å; V983-V1018 VanDerWaalsContact CG2-CG2 3.49Å
984	A	87.5	Confident	84.6	Confident	10 Å²	10	35 Å²	35	8%	0.083	19%	0.191	C	C	.	.			trans	-75.4	134	-173.4	0	0	0	0	0	111.3	A588 M590 L728 L980 G981	A588-A984 HydrophobicContact CB-CB 3.81Å; A588-A984 VanDerWaalsContact O-CA 3.29Å; A588-A984 WeakPolarHBondContact O-CA 3.43Å; M590-A984 HydrophobicContact CE-CB 3.82Å; M590-A984 WeakPolarHBondContact CE-O 3.44Å; M590-A984 HydrophobicContact CG-CB 4.01Å; M590-A984 HydrophobicContact SD-CB 4.11Å; L728-A984 HydrophobicContact CD2-CB 4.01Å; L980-A984 WeakPolarHBondContact O-CB 3.44Å; L980-A984 PolarHBondContact O-N 3.14Å; G981-A984 PolarHBondContact O-N 3.08Å
985	Q	87.5	Confident	83.9	Confident	24 Å²	24	37.3 Å²	37.3	11%	0.112	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-91.8	148.5	175.7	-53.3	-53.7	-62.3	0	0	110.8	A588 S589 M590 V983 C987 D990 I991 Y1010	A588-Q985 PolarHBondContact O-N 2.9Å; A588-Q985 VanDerWaalsContact O-N 3.09Å; S589-Q985 CarbonylContact C-O 3.13Å; S589-Q985 WeakPolarHBondContact CA-O 3.35Å; M590-Q985 PolarHBondContact N-O 3.08Å; V983-Q985 PolarHBondContact O-NE2 2.9Å; Q985-C987 VanDerWaalsContact C-N 3.32Å; Q985-C987 PolarHBondContact O-N 3.41Å; Q985-D990 HydrophobicContact CB-CB 3.88Å; Q985-D990 HydrophobicContact CG-CB 4.27Å; Q985-I991 HydrophobicContact CB-CD1 4.09Å; Q985-I991 HydrophobicContact CB-CG1 3.75Å; Q985-I991 HydrophobicContact CG-CD1 4.12Å; Q985-I991 HydrophobicContact CG-CG1 3.49Å; Q985-I991 VanDerWaalsContact CG-CG1 3.49Å; Q985-Y1010 HydrophobicContact CG-CE1 4.44Å; Q985-Y1010 PolarHBondContact OE1-OH 2.86Å; Q985-Y1010 VanDerWaalsContact OE1-OH 3.1Å
986	P	85.5	Confident	82.5	Confident	82 Å²	82	37.3 Å²	37.3	53%	0.532	21%	0.207	S	C	.	.	S	Bend	trans	-55.9	-45.1	179.3	-25.2	34.8	0	0	0	112.6	M590 D591	M590-P986 CarbonylContact C-O 3.54Å; M590-P986 VanDerWaalsContact O-O 3.08Å; D591-P986 PolarHBondContact N-O 2.58Å
987	C	88.2	Confident	80.8	Confident	48 Å²	48	44.6 Å²	44.6	32%	0.324	25%	0.246	S	C	.	.	S	Bend	trans	-117.5	146.4	175.9	-74.5	0	0	0	0	111.2	Q985 Q989 D990	Q985-C987 VanDerWaalsContact C-N 3.32Å; Q985-C987 PolarHBondContact O-N 3.41Å; C987-Q989 HydrophobicContact CB-CB 4.25Å; C987-Q989 HydrophobicContact CB-CG 4.17Å; C987-Q989 PolarHBondContact O-N 2.66Å; C987-D990 WeakPolarHBondContact CA-OD2 3.3Å; C987-D990 WeakPolarHBondContact CB-OD2 3.45Å; C987-D990 PolarHBondContact N-OD2 3.47Å; C987-D990 WeakPolarHBondContact O-CB 3.37Å; C987-D990 PolarHBondContact O-N 2.82Å; C987-D990 VanDerWaalsContact O-N 3.09Å; C987-D990 VanDerWaalsContact O-OD2 3.11Å
988	L	89.3	Confident	78.9	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-50.7	-31.3	165.2	171.5	66.9	0	0	0	113	D591 A597 K600 L601 D990 I991 Y992	D591-L988 VanDerWaalsContact OD1-CB 3.27Å; D591-L988 WeakPolarHBondContact OD1-CB 3.48Å; D591-L988 PolarHBondContact OD1-N 3.39Å; D591-L988 WeakPolarHBondContact OD2-CB 3.42Å; D591-L988 PolarHBondContact OD2-N 3.26Å; A597-L988 HydrophobicContact CB-CD2 4.2Å; A597-L988 WeakPolarHBondContact O-CD2 3.42Å; K600-L988 HydrophobicContact CB-CD2 3.78Å; L601-L988 HydrophobicContact CB-CD1 4.09Å; L601-L988 HydrophobicContact CB-CD2 3.8Å; L601-L988 HydrophobicContact CD1-CD1 3.55Å; L601-L988 HydrophobicContact CG-CD1 4.39Å; L988-D990 PolarHBondContact O-N 3.31Å; L988-I991 PolarHBondContact O-N 3.3Å; L988-I991 VanDerWaalsContact O-N 3.14Å; L988-Y992 HydrophobicContact CD1-CD2 3.72Å; L988-Y992 PolarHBondContact O-N 3.19Å
989	Q	85.8	Confident	77.1	Confident	92 Å²	92	53.8 Å²	53.8	43%	0.43	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-63.4	-27.3	-177.3	-42.9	-157.8	81.5	0	0	112.7	R604 C987 I991 P993	R604-Q989 VanDerWaalsContact NH2-OE1 3.08Å; C987-Q989 HydrophobicContact CB-CB 4.25Å; C987-Q989 HydrophobicContact CB-CG 4.17Å; C987-Q989 PolarHBondContact O-N 2.66Å; Q989-I991 VanDerWaalsContact C-N 3.26Å; Q989-I991 PolarHBondContact O-N 2.89Å; Q989-P993 VanDerWaalsContact O-CA 3.28Å; Q989-P993 WeakPolarHBondContact O-CA 3.4Å
990	D	84.5	Confident	75.4	Confident	77 Å²	77	61.6 Å²	61.6	41%	0.412	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-75.7	-20.4	-179.8	-44.6	-32.9	0	0	0	111.4	Q985 C987 L988	Q985-D990 HydrophobicContact CB-CB 3.88Å; Q985-D990 HydrophobicContact CG-CB 4.27Å; C987-D990 WeakPolarHBondContact CA-OD2 3.3Å; C987-D990 WeakPolarHBondContact CB-OD2 3.45Å; C987-D990 PolarHBondContact N-OD2 3.47Å; C987-D990 WeakPolarHBondContact O-CB 3.37Å; C987-D990 PolarHBondContact O-N 2.82Å; C987-D990 VanDerWaalsContact O-N 3.09Å; C987-D990 VanDerWaalsContact O-OD2 3.11Å; L988-D990 PolarHBondContact O-N 3.31Å
991	I	85.2	Confident	73.2	Confident	9 Å²	9	69.8 Å²	69.8	5%	0.046	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-46.1	-178.8	-46.8	165.5	0	0	0	110.8	A588 Q985 L988 Q989 C1007	A588-I991 WeakPolarHBondContact O-CD1 3.47Å; Q985-I991 HydrophobicContact CB-CD1 4.09Å; Q985-I991 HydrophobicContact CB-CG1 3.75Å; Q985-I991 HydrophobicContact CG-CD1 4.12Å; Q985-I991 HydrophobicContact CG-CG1 3.49Å; Q985-I991 VanDerWaalsContact CG-CG1 3.49Å; L988-I991 PolarHBondContact O-N 3.3Å; L988-I991 VanDerWaalsContact O-N 3.14Å; Q989-I991 VanDerWaalsContact C-N 3.26Å; Q989-I991 PolarHBondContact O-N 2.89Å; I991-C1007 PolarHBondContact O-SG 2.72Å
992	Y	86.7	Confident	71.1	Confident	14 Å²	14	74.1 Å²	74.1	6%	0.055	40%	0.402	C	S	.	.	S	Bend	trans	-131.5	79.9	-177.5	-57.4	-68.6	0	0	0	108.3	S587 L601 R604 P606 F607 L988	S587-Y992 PolarHBondContact OG-OH 3.36Å; L601-Y992 HydrophobicContact CD1-CD2 3.7Å; L601-Y992 HydrophobicContact CD1-CE2 3.77Å; R604-Y992 VanDerWaalsContact CD-O 3.23Å; R604-Y992 WeakPolarHBondContact CD-O 3.45Å; R604-Y992 PolarHBondContact NH1-O 3.14Å; P606-Y992 HydrophobicContact CG-CE1 4.39Å; F607-Y992 HydrophobicContact CE2-CD2 4.47Å; F607-Y992 HydrophobicContact CE2-CE1 4.4Å; F607-Y992 AromaticContact CE2-CE2 3.97Å; F607-Y992 HydrophobicContact CE2-CE2 3.97Å; F607-Y992 AromaticContact CE2-CZ 3.95Å; L988-Y992 HydrophobicContact CD1-CD2 3.72Å; L988-Y992 PolarHBondContact O-N 3.19Å
993	P	81	Confident	69.4	Low	68 Å²	68	78.1 Å²	78.1	44%	0.442	43%	0.428	S	S	.	.			trans	-64.5	167.2	178.5	26.9	-34.9	0	0	0	111.8	Q989	Q989-P993 VanDerWaalsContact O-CA 3.28Å; Q989-P993 WeakPolarHBondContact O-CA 3.4Å
994	E	75.8	Confident	67.2	Low	127 Å²	127	84 Å²	84	59%	0.593	45%	0.453	S	S	*	.			trans	-82.3	136.8	169.3	-65.1	-172.2	173.3	0	0	109.9	R604	R604-E994 HydrophobicContact CG-CG 4.4Å; R604-E994 IonicContact CZ-OE1 3.66Å; R604-E994 VanDerWaalsContact CZ-OE1 3.24Å; R604-E994 IonicContact NE-OE1 2.69Å; R604-E994 PolarHBondContact NE-OE1 2.94Å; R604-E994 VanDerWaalsContact NH2-CD 3.29Å; R604-E994 IonicContact NH2-OE1 2.74Å; R604-E994 PolarHBondContact NH2-OE1 2.99Å
995	E	67.9	Low	65	Low	97 Å²	97	87.6 Å²	87.6	45%	0.453	48%	0.476	S	S	.	.			trans	-82.4	115.9	170.8	-66.6	175.7	164.6	0	0	108.5	K605	K605-E995 WeakPolarHBondContact CD-OE1 3.49Å; K605-E995 VanDerWaalsContact CE-CD 3.48Å; K605-E995 VanDerWaalsContact CE-OE1 3.28Å; K605-E995 WeakPolarHBondContact CE-OE1 3.17Å; K605-E995 WeakPolarHBondContact CE-OE2 3.38Å; K605-E995 IonicContact NZ-OE1 3.06Å; K605-E995 PolarHBondContact NZ-OE1 2.75Å; K605-E995 IonicContact NZ-OE2 3.98Å; K605-E995 PolarHBondContact NZ-OE2 3.46Å
996	T	55.4	Low	62.9	Low	86 Å²	86	89.9 Å²	89.9	53%	0.528	50%	0.499	S	S	.	.			trans	-65.2	137	160	43.1	0	0	0	0	109.1	D998 D999	T996-D998 PolarHBondContact O-N 2.85Å; T996-D999 PolarHBondContact O-N 2.8Å
997	N	52	Low	61.2	Low	152 Å²	152	88.2 Å²	88.2	81%	0.813	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-17.1	-173.3	-73.8	-37.7	0	0	0	114.5
998	D	45.6	Very low	59.6	Low	148 Å²	148	92.3 Å²	92.3	79%	0.791	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-18.8	-174.7	-47.5	-62.7	0	0	0	113.5	T996 L1000	T996-D998 PolarHBondContact O-N 2.85Å; D998-L1000 PolarHBondContact O-N 2.96Å
999	D	43.6	Very low	58.2	Low	71 Å²	71	98.5 Å²	98.5	38%	0.38	53%	0.528	S	S	.	.			trans	-77	67.6	170.5	-75.2	-24	0	0	0	110.2	T996 E1001 K1004	T996-D999 PolarHBondContact O-N 2.8Å; D999-E1001 PolarHBondContact O-N 3.32Å; D999-K1004 WeakPolarHBondContact OD1-CE 3.41Å; D999-K1004 IonicContact OD1-NZ 2.64Å; D999-K1004 PolarHBondContact OD1-NZ 3.17Å; D999-K1004 VanDerWaalsContact OD2-CE 3.31Å; D999-K1004 WeakPolarHBondContact OD2-CE 3.29Å; D999-K1004 IonicContact OD2-NZ 2.75Å; D999-K1004 PolarHBondContact OD2-NZ 3.18Å
1000	L	46.6	Very low	57.2	Low	168 Å²	168	98.4 Å²	98.4	88%	0.88	52%	0.524	S	S	*	.			trans	-72.9	-20.1	175.7	-146.6	82.2	0	0	0	112.4	D998	D998-L1000 PolarHBondContact O-N 2.96Å
1001	E	41.9	Very low	56.5	Low	173 Å²	173	95.3 Å²	95.3	81%	0.808	51%	0.509	S	S	*	.	S	Bend	trans	-78.2	152	169.2	-62.2	-166.2	151.4	0	0	111.5	D999	D999-E1001 PolarHBondContact O-N 3.32Å
1002	S	41.2	Very low	56	Low	99 Å²	99	99 Å²	99	69%	0.692	53%	0.526	S	S	*	.	S	Bend	trans	-41.7	137.1	-168.1	56.9	0	0	0	0	115.6	K1004	S1002-K1004 PolarHBondContact O-N 2.89Å
1003	P	42.3	Very low	55.5	Low	90 Å²	90	103.6 Å²	103.6	58%	0.584	55%	0.548	S	S	*	.			trans	-55.2	125.1	-170.1	23	-35.1	0	0	0	112.1
1004	K	37.9	Very low	55.6	Low	128 Å²	128	102.6 Å²	102.6	56%	0.557	54%	0.535	S	S	*	.			trans	-40.5	108.8	-168.8	-78	166.3	176.5	145.8	0	112	D999 S1002 A1006 C1007	D999-K1004 WeakPolarHBondContact OD1-CE 3.41Å; D999-K1004 IonicContact OD1-NZ 2.64Å; D999-K1004 PolarHBondContact OD1-NZ 3.17Å; D999-K1004 VanDerWaalsContact OD2-CE 3.31Å; D999-K1004 WeakPolarHBondContact OD2-CE 3.29Å; D999-K1004 IonicContact OD2-NZ 2.75Å; D999-K1004 PolarHBondContact OD2-NZ 3.18Å; S1002-K1004 PolarHBondContact O-N 2.89Å; K1004-A1006 PolarHBondContact O-N 2.72Å; K1004-C1007 PolarHBondContact O-N 3.49Å
1005	P	40.8	Very low	56.1	Low	85 Å²	85	96.9 Å²	96.9	55%	0.552	51%	0.509	S	S	*	.	H	α-helix	trans	-67.7	-9.4	-164	23.4	-34	0	0	0	114.7	K1009	P1005-K1009 WeakPolarHBondContact O-CG 3.37Å; P1005-K1009 PolarHBondContact O-N 2.69Å
1006	A	43.7	Very low	57	Low	73 Å²	73	95.8 Å²	95.8	60%	0.603	51%	0.512	S	S	*	.	H	α-helix	trans	-58	-46.8	171.5	0	0	0	0	0	112.6	K1004 K1008 K1009 Y1010	K1004-A1006 PolarHBondContact O-N 2.72Å; A1006-K1008 PolarHBondContact O-N 2.97Å; A1006-K1009 PolarHBondContact O-N 3.5Å; A1006-Y1010 WeakPolarHBondContact O-CB 3.35Å; A1006-Y1010 PolarHBondContact O-N 3.22Å
1007	C	50.1	Low	58.5	Low	46 Å²	46	91.8 Å²	91.8	31%	0.311	49%	0.488	S	S	.	.	H	α-helix	trans	-63.7	-45.1	-176	167.9	0	0	0	0	112.1	I991 K1004 Y1010 S1011	I991-C1007 PolarHBondContact O-SG 2.72Å; K1004-C1007 PolarHBondContact O-N 3.49Å; C1007-Y1010 PolarHBondContact O-N 2.93Å; C1007-S1011 PolarHBondContact O-N 3.08Å; C1007-S1011 VanDerWaalsContact O-N 3.08Å
1008	K	55.2	Low	60.2	Low	135 Å²	135	84.6 Å²	84.6	59%	0.587	45%	0.449	S	S	*	.	H	α-helix	trans	-59.6	-51.3	175.9	-173.3	179.2	166.7	-174.9	0	110.8	A1006 Y1010 S1011 E1012	A1006-K1008 PolarHBondContact O-N 2.97Å; K1008-Y1010 VanDerWaalsContact C-N 3.29Å; K1008-Y1010 PolarHBondContact O-N 3.32Å; K1008-S1011 PolarHBondContact O-N 3.46Å; K1008-S1011 PolarHBondContact O-OG 2.8Å; K1008-E1012 WeakPolarHBondContact CE-OE1 3.32Å; K1008-E1012 IonicContact NZ-OE1 2.72Å; K1008-E1012 WeakPolarHBondContact O-CG 3.36Å; K1008-E1012 PolarHBondContact O-N 3.32Å
1009	K	59.4	Low	62.2	Low	131 Å²	131	78.7 Å²	78.7	57%	0.57	42%	0.417	S	S	*	.	H	α-helix	trans	-55.8	-40.9	176.4	-75	177.9	175.9	-177.9	0	112.6	P1005 A1006 E1012 Q1013	P1005-K1009 WeakPolarHBondContact O-CG 3.37Å; P1005-K1009 PolarHBondContact O-N 2.69Å; A1006-K1009 PolarHBondContact O-N 3.5Å; K1009-E1012 PolarHBondContact O-N 2.83Å; K1009-Q1013 WeakPolarHBondContact O-CB 3.33Å; K1009-Q1013 WeakPolarHBondContact O-CG 3.46Å; K1009-Q1013 PolarHBondContact O-N 2.93Å
1010	Y	64.6	Low	64.3	Low	89 Å²	89	77 Å²	77	35%	0.349	41%	0.407	S	S	.	.	H	α-helix	trans	-62.9	-49.3	179	-166.4	-111.7	0	0	0	111.7	Q985 A1006 C1007 K1008 E1012 Q1013 W1014	Q985-Y1010 HydrophobicContact CG-CE1 4.44Å; Q985-Y1010 PolarHBondContact OE1-OH 2.86Å; Q985-Y1010 VanDerWaalsContact OE1-OH 3.1Å; A1006-Y1010 WeakPolarHBondContact O-CB 3.35Å; A1006-Y1010 PolarHBondContact O-N 3.22Å; C1007-Y1010 PolarHBondContact O-N 2.93Å; K1008-Y1010 VanDerWaalsContact C-N 3.29Å; K1008-Y1010 PolarHBondContact O-N 3.32Å; Y1010-E1012 VanDerWaalsContact C-N 3.33Å; Y1010-E1012 PolarHBondContact O-N 2.98Å; Y1010-Q1013 PolarHBondContact O-N 3.37Å; Y1010-W1014 AromaticContact CD1-CD1 3.8Å; Y1010-W1014 AromaticContact CD1-NE1 3.75Å; Y1010-W1014 AromaticContact CD2-NE1 3.79Å; Y1010-W1014 AromaticContact CE1-CD1 3.72Å; Y1010-W1014 AromaticContact CE1-NE1 3.27Å; Y1010-W1014 VanDerWaalsContact CE1-NE1 3.27Å; Y1010-W1014 HydrophobicContact CE2-CZ2 4.47Å; Y1010-W1014 AromaticContact CE2-NE1 3.34Å; Y1010-W1014 VanDerWaalsContact CE2-NE1 3.34Å; Y1010-W1014 AromaticContact CG-NE1 3.99Å; Y1010-W1014 AromaticContact CZ-CD1 3.96Å; Y1010-W1014 AromaticContact CZ-NE1 3.06Å; Y1010-W1014 PolarHBondContact O-N 3.26Å; Y1010-W1014 VanDerWaalsContact O-N 3.12Å; Y1010-W1014 PolarHBondContact OH-NE1 3.26Å
1011	S	69.7	Low	66.2	Low	13 Å²	13	70.1 Å²	70.1	9%	0.091	37%	0.371	C	S	.	.	H	α-helix	trans	-62.7	-36.8	176.5	69.5	0	0	0	0	113.1	C1007 K1008 S1015	C1007-S1011 PolarHBondContact O-N 3.08Å; C1007-S1011 VanDerWaalsContact O-N 3.08Å; K1008-S1011 PolarHBondContact O-N 3.46Å; K1008-S1011 PolarHBondContact O-OG 2.8Å; S1011-S1015 VanDerWaalsContact O-CB 3.23Å; S1011-S1015 WeakPolarHBondContact O-CB 3.47Å; S1011-S1015 PolarHBondContact O-N 3.36Å
1012	E	74.4	Confident	68.5	Low	85 Å²	85	61.9 Å²	61.9	40%	0.397	33%	0.332	S	S	.	.	H	α-helix	trans	-69	-39.1	175.9	-70.8	171.8	153.1	0	0	111.8	K1008 K1009 Y1010 S1016	K1008-E1012 WeakPolarHBondContact CE-OE1 3.32Å; K1008-E1012 IonicContact NZ-OE1 2.72Å; K1008-E1012 WeakPolarHBondContact O-CG 3.36Å; K1008-E1012 PolarHBondContact O-N 3.32Å; K1009-E1012 PolarHBondContact O-N 2.83Å; Y1010-E1012 VanDerWaalsContact C-N 3.33Å; Y1010-E1012 PolarHBondContact O-N 2.98Å; E1012-S1016 WeakPolarHBondContact O-CB 3.31Å; E1012-S1016 PolarHBondContact O-N 2.91Å
1013	Q	77	Confident	70.7	Confident	111 Å²	111	60 Å²	60	52%	0.519	31%	0.311	S	S	.	.	H	α-helix	trans	-63.4	-40.2	176.5	-79.3	170	-2.9	0	0	113.1	K1009 Y1010 V1017 K1037	K1009-Q1013 WeakPolarHBondContact O-CB 3.33Å; K1009-Q1013 WeakPolarHBondContact O-CG 3.46Å; K1009-Q1013 PolarHBondContact O-N 2.93Å; Y1010-Q1013 PolarHBondContact O-N 3.37Å; Q1013-V1017 WeakPolarHBondContact O-CG2 3.25Å; Q1013-K1037 PolarHBondContact O-NZ 3.28Å
1014	W	82.7	Confident	72.8	Confident	47 Å²	47	56 Å²	56	18%	0.178	29%	0.285	C	S	.	.	H	α-helix	trans	-75.4	-42.1	176.3	-71.7	121.8	0	0	0	112.7	V983 Y1010 S1016 V1017 V1018 L1040	V983-W1014 HydrophobicContact CB-CB 4.28Å; V983-W1014 HydrophobicContact CB-CD2 4.46Å; V983-W1014 HydrophobicContact CB-CE3 4.04Å; V983-W1014 HydrophobicContact CG1-CE3 3.85Å; Y1010-W1014 AromaticContact CD1-CD1 3.8Å; Y1010-W1014 AromaticContact CD1-NE1 3.75Å; Y1010-W1014 AromaticContact CD2-NE1 3.79Å; Y1010-W1014 AromaticContact CE1-CD1 3.72Å; Y1010-W1014 AromaticContact CE1-NE1 3.27Å; Y1010-W1014 VanDerWaalsContact CE1-NE1 3.27Å; Y1010-W1014 HydrophobicContact CE2-CZ2 4.47Å; Y1010-W1014 AromaticContact CE2-NE1 3.34Å; Y1010-W1014 VanDerWaalsContact CE2-NE1 3.34Å; Y1010-W1014 AromaticContact CG-NE1 3.99Å; Y1010-W1014 AromaticContact CZ-CD1 3.96Å; Y1010-W1014 AromaticContact CZ-NE1 3.06Å; Y1010-W1014 PolarHBondContact O-N 3.26Å; Y1010-W1014 VanDerWaalsContact O-N 3.12Å; Y1010-W1014 PolarHBondContact OH-NE1 3.26Å; W1014-S1016 PolarHBondContact O-N 3.2Å; W1014-V1017 HydrophobicContact CE3-CG2 4.16Å; W1014-V1017 WeakPolarHBondContact O-CA 3.4Å; W1014-V1017 WeakPolarHBondContact O-CB 3.3Å; W1014-V1017 PolarHBondContact O-N 3.21Å; W1014-V1018 PolarHBondContact O-N 3.34Å; W1014-L1040 HydrophobicContact CH2-CD2 3.42Å; W1014-L1040 VanDerWaalsContact CH2-CD2 3.42Å; W1014-L1040 HydrophobicContact CZ3-CD2 3.53Å
1015	S	87.1	Confident	75.1	Confident	7 Å²	7	51.7 Å²	51.7	5%	0.049	27%	0.268	C	S	.	.	H	α-helix	trans	-52.5	-43.8	172.4	-177.3	0	0	0	0	111.2	L584 I586 S1011 V1017 V1018 H1019	L584-S1015 PolarHBondContact O-OG 3.32Å; I586-S1015 PolarHBondContact N-OG 3.24Å; I586-S1015 WeakPolarHBondContact O-CA 3.31Å; I586-S1015 WeakPolarHBondContact O-CB 3.49Å; S1011-S1015 VanDerWaalsContact O-CB 3.23Å; S1011-S1015 WeakPolarHBondContact O-CB 3.47Å; S1011-S1015 PolarHBondContact O-N 3.36Å; S1015-V1017 VanDerWaalsContact C-N 3.27Å; S1015-V1017 PolarHBondContact O-N 3.48Å; S1015-V1018 PolarHBondContact O-N 3.33Å; S1015-H1019 PolarHBondContact O-CD2 3.27Å; S1015-H1019 PolarHBondContact O-N 3.37Å
1016	S	86	Confident	77.4	Confident	74 Å²	74	47.9 Å²	47.9	52%	0.517	24%	0.242	S	C	.	.	H	α-helix	trans	-60.2	-31	176.2	-171.6	0	0	0	0	113.9	E1012 W1014 E1020	E1012-S1016 WeakPolarHBondContact O-CB 3.31Å; E1012-S1016 PolarHBondContact O-N 2.91Å; W1014-S1016 PolarHBondContact O-N 3.2Å; S1016-E1020 PolarHBondContact O-N 3.34Å; S1016-E1020 VanDerWaalsContact O-N 3.15Å
1017	V	86.1	Confident	79.3	Confident	3 Å²	3	45.7 Å²	45.7	2%	0.018	22%	0.224	C	C	.	.	H	α-helix	trans	-67.9	-48	173.9	-175.7	0	0	0	0	110.7	V983 Q1013 W1014 S1015 H1019 E1020 I1021 L1033 K1037	V983-V1017 HydrophobicContact CG1-CB 3.99Å; V983-V1017 HydrophobicContact CG1-CG1 4.07Å; Q1013-V1017 WeakPolarHBondContact O-CG2 3.25Å; W1014-V1017 HydrophobicContact CE3-CG2 4.16Å; W1014-V1017 WeakPolarHBondContact O-CA 3.4Å; W1014-V1017 WeakPolarHBondContact O-CB 3.3Å; W1014-V1017 PolarHBondContact O-N 3.21Å; S1015-V1017 VanDerWaalsContact C-N 3.27Å; S1015-V1017 PolarHBondContact O-N 3.48Å; V1017-H1019 VanDerWaalsContact C-N 3.32Å; V1017-H1019 PolarHBondContact O-N 3.2Å; V1017-E1020 PolarHBondContact O-N 2.98Å; V1017-I1021 HydrophobicContact CG1-CD1 3.9Å; V1017-I1021 HydrophobicContact CG1-CG1 4.4Å; V1017-I1021 WeakPolarHBondContact O-CG1 3.47Å; V1017-I1021 PolarHBondContact O-N 3.28Å; V1017-L1033 HydrophobicContact CG1-CD1 3.96Å; V1017-L1033 HydrophobicContact CG1-CD2 4.04Å; V1017-K1037 HydrophobicContact CG2-CD 3.7Å; V1017-K1037 VanDerWaalsContact CG2-NZ 3.25Å
1018	V	87.7	Confident	80.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.7	-41.2	178.8	-171.1	0	0	0	0	111.3	I586 L980 V983 W1014 S1015 E1020 I1021 I1022	I586-V1018 HydrophobicContact CB-CB 4.46Å; I586-V1018 HydrophobicContact CD1-CB 4.23Å; I586-V1018 HydrophobicContact CD1-CG1 3.97Å; I586-V1018 HydrophobicContact CG2-CB 4.27Å; I586-V1018 HydrophobicContact CG2-CG1 4.09Å; I586-V1018 HydrophobicContact CG2-CG2 4.17Å; L980-V1018 HydrophobicContact CD2-CG1 4.14Å; V983-V1018 HydrophobicContact CB-CG2 4.18Å; V983-V1018 HydrophobicContact CG1-CG2 3.75Å; V983-V1018 HydrophobicContact CG2-CG2 3.49Å; V983-V1018 VanDerWaalsContact CG2-CG2 3.49Å; W1014-V1018 PolarHBondContact O-N 3.34Å; S1015-V1018 PolarHBondContact O-N 3.33Å; V1018-E1020 PolarHBondContact O-N 2.9Å; V1018-I1021 PolarHBondContact O-N 2.88Å; V1018-I1022 HydrophobicContact CG1-CD1 3.73Å; V1018-I1022 HydrophobicContact CG1-CG1 4.25Å; V1018-I1022 WeakPolarHBondContact O-CB 3.42Å; V1018-I1022 VanDerWaalsContact O-CG1 3.31Å; V1018-I1022 WeakPolarHBondContact O-CG1 3.46Å; V1018-I1022 PolarHBondContact O-N 2.96Å
1019	H	89	Confident	82.1	Confident	24 Å²	24	43.6 Å²	43.6	11%	0.111	23%	0.233	C	C	.	.	H	α-helix	trans	-60.1	-43.6	175.6	-82.4	-77.3	0	0	0	112.4	P581 L584 S1015 V1017 K1023	P581-H1019 PolarHBondContact O-CE1 3.34Å; L584-H1019 PolarHBondContact O-NE2 3.37Å; S1015-H1019 PolarHBondContact O-CD2 3.27Å; S1015-H1019 PolarHBondContact O-N 3.37Å; V1017-H1019 VanDerWaalsContact C-N 3.32Å; V1017-H1019 PolarHBondContact O-N 3.2Å; H1019-K1023 WeakPolarHBondContact O-CB 3.47Å; H1019-K1023 PolarHBondContact O-N 2.95Å
1020	E	87.2	Confident	82.8	Confident	36 Å²	36	46.7 Å²	46.7	17%	0.168	25%	0.246	C	C	.	.	H	α-helix	trans	-70.5	-37.8	177.9	-170.2	63.8	-157	0	0	112.2	S1016 V1017 V1018 K1023 S1024 N1032 L1033	S1016-E1020 PolarHBondContact O-N 3.34Å; S1016-E1020 VanDerWaalsContact O-N 3.15Å; V1017-E1020 PolarHBondContact O-N 2.98Å; V1018-E1020 PolarHBondContact O-N 2.9Å; E1020-K1023 PolarHBondContact O-N 3.14Å; E1020-K1023 IonicContact OE1-NZ 3.15Å; E1020-K1023 PolarHBondContact OE1-NZ 3.09Å; E1020-K1023 WeakPolarHBondContact OE2-CD 3.22Å; E1020-K1023 IonicContact OE2-NZ 3.89Å; E1020-K1023 PolarHBondContact OE2-NZ 2.73Å; E1020-S1024 WeakPolarHBondContact O-CB 3.22Å; E1020-S1024 PolarHBondContact O-N 2.87Å; E1020-S1024 PolarHBondContact O-OG 2.9Å; E1020-N1032 PolarHBondContact OE1-ND2 2.87Å; E1020-L1033 HydrophobicContact CB-CD2 4.03Å; E1020-L1033 HydrophobicContact CG-CD2 4.15Å; E1020-L1033 HydrophobicContact CG-CG 4.33Å
1021	I	87.3	Confident	83.1	Confident	24 Å²	24	44.1 Å²	44.1	12%	0.123	24%	0.241	C	C	.	.	H	α-helix	trans	-61.6	-48.6	174	-63.2	167	0	0	0	110.5	F705 A979 V1017 V1018 K1023 S1024 H1025 L1033 I1041	F705-I1021 HydrophobicContact CZ-CG2 4.14Å; A979-I1021 HydrophobicContact CB-CD1 4.06Å; A979-I1021 HydrophobicContact CB-CG2 3.73Å; V1017-I1021 HydrophobicContact CG1-CD1 3.9Å; V1017-I1021 HydrophobicContact CG1-CG1 4.4Å; V1017-I1021 WeakPolarHBondContact O-CG1 3.47Å; V1017-I1021 PolarHBondContact O-N 3.28Å; V1018-I1021 PolarHBondContact O-N 2.88Å; I1021-K1023 PolarHBondContact O-N 3.25Å; I1021-S1024 WeakPolarHBondContact O-CB 3.36Å; I1021-S1024 PolarHBondContact O-N 3.02Å; I1021-S1024 VanDerWaalsContact O-N 3.17Å; I1021-H1025 PolarHBondContact O-N 3.17Å; I1021-L1033 HydrophobicContact CD1-CD1 4.47Å; I1021-L1033 HydrophobicContact CG1-CD1 3.95Å; I1021-I1041 HydrophobicContact CD1-CD1 3.85Å; I1021-I1041 HydrophobicContact CG1-CD1 4.3Å
1022	I	88.4	Confident	83.2	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62	-46	179.2	-71.8	177.1	0	0	0	110.6	P579 L580 F705 Y708 V709 V1018 S1024 H1025 F1026	P579-I1022 HydrophobicContact CG-CG2 3.95Å; L580-I1022 HydrophobicContact CD1-CB 4.5Å; L580-I1022 HydrophobicContact CD1-CD1 3.66Å; L580-I1022 HydrophobicContact CD1-CG2 4.01Å; L580-I1022 HydrophobicContact CG-CG2 4.44Å; F705-I1022 HydrophobicContact CD1-CD1 4.34Å; F705-I1022 HydrophobicContact CD1-CG1 3.82Å; F705-I1022 HydrophobicContact CE1-CD1 4.37Å; F705-I1022 HydrophobicContact CE1-CG1 3.69Å; Y708-I1022 HydrophobicContact CD1-CD1 4.17Å; Y708-I1022 HydrophobicContact CE1-CD1 4.23Å; V709-I1022 HydrophobicContact CG2-CD1 4.17Å; V709-I1022 HydrophobicContact CG2-CG2 3.77Å; V1018-I1022 HydrophobicContact CG1-CD1 3.73Å; V1018-I1022 HydrophobicContact CG1-CG1 4.25Å; V1018-I1022 WeakPolarHBondContact O-CB 3.42Å; V1018-I1022 VanDerWaalsContact O-CG1 3.31Å; V1018-I1022 WeakPolarHBondContact O-CG1 3.46Å; V1018-I1022 PolarHBondContact O-N 2.96Å; I1022-S1024 VanDerWaalsContact C-N 3.28Å; I1022-S1024 PolarHBondContact O-N 2.81Å; I1022-H1025 PolarHBondContact O-N 3.37Å; I1022-F1026 HydrophobicContact CG2-CD2 3.84Å; I1022-F1026 HydrophobicContact CG2-CE2 4.01Å; I1022-F1026 VanDerWaalsContact O-CD2 3.3Å; I1022-F1026 WeakPolarHBondContact O-CD2 3.37Å; I1022-F1026 PolarHBondContact O-N 3.29Å
1023	K	87.7	Confident	83.3	Confident	58 Å²	58	46.3 Å²	46.3	25%	0.252	25%	0.254	S	S	.	.	H	α-helix	trans	-55.3	-43.1	173.6	171	178.4	159.2	-118.6	0	111.9	T578 H1019 E1020 I1021 A1027	T578-K1023 HydrophobicContact CG2-CB 4.26Å; H1019-K1023 WeakPolarHBondContact O-CB 3.47Å; H1019-K1023 PolarHBondContact O-N 2.95Å; E1020-K1023 PolarHBondContact O-N 3.14Å; E1020-K1023 IonicContact OE1-NZ 3.15Å; E1020-K1023 PolarHBondContact OE1-NZ 3.09Å; E1020-K1023 WeakPolarHBondContact OE2-CD 3.22Å; E1020-K1023 IonicContact OE2-NZ 3.89Å; E1020-K1023 PolarHBondContact OE2-NZ 2.73Å; I1021-K1023 PolarHBondContact O-N 3.25Å; K1023-A1027 WeakPolarHBondContact O-CB 3.22Å; K1023-A1027 PolarHBondContact O-N 3.41Å
1024	S	87.2	Confident	83.2	Confident	6 Å²	6	50.2 Å²	50.2	4%	0.042	27%	0.265	C	S	.	.	H	α-helix	trans	-67.6	-44.1	-179.5	-54.7	0	0	0	0	112	E1020 I1021 I1022 F1026 A1027 G1028 T1029 S1031	E1020-S1024 WeakPolarHBondContact O-CB 3.22Å; E1020-S1024 PolarHBondContact O-N 2.87Å; E1020-S1024 PolarHBondContact O-OG 2.9Å; I1021-S1024 WeakPolarHBondContact O-CB 3.36Å; I1021-S1024 PolarHBondContact O-N 3.02Å; I1021-S1024 VanDerWaalsContact O-N 3.17Å; I1022-S1024 VanDerWaalsContact C-N 3.28Å; I1022-S1024 PolarHBondContact O-N 2.81Å; S1024-F1026 PolarHBondContact O-N 3.36Å; S1024-A1027 PolarHBondContact O-N 2.99Å; S1024-G1028 PolarHBondContact O-N 3.32Å; S1024-T1029 PolarHBondContact O-N 2.91Å; S1024-T1029 VanDerWaalsContact O-N 3.12Å; S1024-S1031 VanDerWaalsContact OG-CA 3.25Å; S1024-S1031 WeakPolarHBondContact OG-CA 3.44Å; S1024-S1031 WeakPolarHBondContact OG-CB 3.38Å
1025	H	86.8	Confident	82.7	Confident	39 Å²	39	54.3 Å²	54.3	18%	0.181	29%	0.29	C	S	.	.	H	α-helix	trans	-58.6	-46.8	174.8	175.7	87	0	0	0	112	F705 Q975 I1021 I1022 G1028	F705-H1025 HydrophobicContact CD2-CB 4.43Å; F705-H1025 AromaticContact CD2-CD2 3.72Å; F705-H1025 AromaticContact CD2-CE1 3.59Å; F705-H1025 AromaticContact CD2-CG 3.69Å; F705-H1025 AromaticContact CD2-ND1 3.6Å; F705-H1025 AromaticContact CD2-NE2 3.66Å; F705-H1025 HydrophobicContact CE2-CB 4.41Å; F705-H1025 AromaticContact CE2-ND1 3.9Å; Q975-H1025 PolarHBondContact OE1-CE1 3.46Å; Q975-H1025 PolarHBondContact OE1-ND1 3.16Å; I1021-H1025 PolarHBondContact O-N 3.17Å; I1022-H1025 PolarHBondContact O-N 3.37Å; H1025-G1028 PolarHBondContact O-N 3.42Å
1026	F	87.3	Confident	81.9	Confident	5 Å²	5	58.8 Å²	58.8	2%	0.022	31%	0.313	C	S	.	.	H	α-helix	trans	-75.9	-20.3	178	-75.9	-72.7	0	0	0	114.4	T536 T538 P579 F705 E706 V709 I1022 S1024	T536-F1026 HydrophobicContact CG2-CE1 4.23Å; T536-F1026 HydrophobicContact CG2-CZ 4.03Å; T538-F1026 HydrophobicContact CG2-CD1 4.32Å; P579-F1026 HydrophobicContact CG-CD2 3.6Å; P579-F1026 HydrophobicContact CG-CE2 3.93Å; P579-F1026 HydrophobicContact CG-CG 4.13Å; F705-F1026 HydrophobicContact CB-CE2 4.2Å; F705-F1026 HydrophobicContact CB-CZ 4.3Å; E706-F1026 HydrophobicContact CG-CE1 4.07Å; E706-F1026 HydrophobicContact CG-CZ 4.02Å; V709-F1026 HydrophobicContact CG2-CE2 3.96Å; I1022-F1026 HydrophobicContact CG2-CD2 3.84Å; I1022-F1026 HydrophobicContact CG2-CE2 4.01Å; I1022-F1026 VanDerWaalsContact O-CD2 3.3Å; I1022-F1026 WeakPolarHBondContact O-CD2 3.37Å; I1022-F1026 PolarHBondContact O-N 3.29Å; S1024-F1026 PolarHBondContact O-N 3.36Å
1027	A	85.4	Confident	81.2	Confident	27 Å²	27	57.7 Å²	57.7	22%	0.223	30%	0.299	C	S	.	.	H	α-helix	trans	-84.9	-15.8	171.6	0	0	0	0	0	113.7	K1023 S1024 T1029	K1023-A1027 WeakPolarHBondContact O-CB 3.22Å; K1023-A1027 PolarHBondContact O-N 3.41Å; S1024-A1027 PolarHBondContact O-N 2.99Å; A1027-T1029 VanDerWaalsContact C-N 3.25Å; A1027-T1029 HydrophobicContact CB-CG2 4.01Å; A1027-T1029 PolarHBondContact O-N 2.77Å
1028	G	81.6	Confident	80.4	Confident	58 Å²	58	59.7 Å²	59.7	60%	0.598	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	21.3	-171.2	0	0	0	0	0	114	S1024 H1025	S1024-G1028 PolarHBondContact O-N 3.32Å; H1025-G1028 PolarHBondContact O-N 3.42Å
1029	T	81.1	Confident	79.7	Confident	78 Å²	78	62 Å²	62	48%	0.479	33%	0.329	S	S	.	.	S	Bend	trans	-103.9	157.1	-177.3	61.4	0	0	0	0	111.6	S1024 A1027	S1024-T1029 PolarHBondContact O-N 2.91Å; S1024-T1029 VanDerWaalsContact O-N 3.12Å; A1027-T1029 VanDerWaalsContact C-N 3.25Å; A1027-T1029 HydrophobicContact CB-CG2 4.01Å; A1027-T1029 PolarHBondContact O-N 2.77Å
1030	K	75.4	Confident	78.7	Confident	197 Å²	197	63.6 Å²	63.6	86%	0.857	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-58.7	149.4	159	-67.9	-169.7	176.7	-171.5	0	109.9
1031	S	70.7	Confident	77.9	Confident	34 Å²	34	62.9 Å²	62.9	24%	0.238	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-80.5	129	-176.4	55.4	0	0	0	0	112.6	S1024 L1033	S1024-S1031 VanDerWaalsContact OG-CA 3.25Å; S1024-S1031 WeakPolarHBondContact OG-CA 3.44Å; S1024-S1031 WeakPolarHBondContact OG-CB 3.38Å; S1031-L1033 PolarHBondContact O-N 2.84Å
1032	N	72.2	Confident	77.2	Confident	121 Å²	121	67 Å²	67	65%	0.647	35%	0.354	S	S	*	.			trans	-77.5	37	177.4	-45.4	-78.4	0	0	0	112.5	E1020	E1020-N1032 PolarHBondContact OE1-ND2 2.87Å
1033	L	75.3	Confident	76.3	Confident	23 Å²	23	71 Å²	71	12%	0.12	38%	0.375	C	S	.	.			trans	-75.2	153.8	172.7	-69.2	173.3	0	0	0	109.4	V1017 E1020 I1021 S1031 K1037 L1038 I1041	V1017-L1033 HydrophobicContact CG1-CD1 3.96Å; V1017-L1033 HydrophobicContact CG1-CD2 4.04Å; E1020-L1033 HydrophobicContact CB-CD2 4.03Å; E1020-L1033 HydrophobicContact CG-CD2 4.15Å; E1020-L1033 HydrophobicContact CG-CG 4.33Å; I1021-L1033 HydrophobicContact CD1-CD1 4.47Å; I1021-L1033 HydrophobicContact CG1-CD1 3.95Å; S1031-L1033 PolarHBondContact O-N 2.84Å; L1033-K1037 HydrophobicContact CB-CB 4.33Å; L1033-L1038 HydrophobicContact CB-CD2 4.09Å; L1033-L1038 HydrophobicContact CB-CG 4.03Å; L1033-L1038 WeakPolarHBondContact O-CD1 3.18Å; L1033-I1041 HydrophobicContact CD1-CD1 3.33Å
1034	R	74.1	Confident	75.4	Confident	194 Å²	194	68.5 Å²	68.5	73%	0.732	37%	0.365	S	S	*	.			trans	-70.5	155.6	171.8	-68.1	179.4	-178.6	-175.3	-3.4	110.5	D1036 K1037 L1038	R1034-D1036 VanDerWaalsContact C-N 3.26Å; R1034-D1036 WeakPolarHBondContact CB-OD1 3.42Å; R1034-D1036 PolarHBondContact O-N 2.81Å; R1034-K1037 WeakPolarHBondContact O-CA 3.36Å; R1034-K1037 PolarHBondContact O-N 2.86Å; R1034-L1038 PolarHBondContact O-N 2.82Å
1035	D	72.7	Confident	74.5	Confident	133 Å²	133	72.9 Å²	72.9	71%	0.711	39%	0.385	S	S	*	.	H	α-helix	trans	-59	-33.2	-175.3	-49.4	-39.1	0	0	0	113.3	K1037 L1038 A1039	D1035-K1037 VanDerWaalsContact C-N 3.27Å; D1035-K1037 PolarHBondContact O-N 2.85Å; D1035-L1038 PolarHBondContact O-N 3.05Å; D1035-A1039 VanDerWaalsContact O-CB 3.24Å; D1035-A1039 WeakPolarHBondContact O-CB 3.41Å; D1035-A1039 PolarHBondContact O-N 3.45Å
1036	D	71.7	Confident	73.4	Confident	101 Å²	101	75 Å²	75	54%	0.54	40%	0.404	S	S	.	.	H	α-helix	trans	-61.6	-35.1	173.8	66.6	-43.7	0	0	0	112.7	R1034 L1040	R1034-D1036 VanDerWaalsContact C-N 3.26Å; R1034-D1036 WeakPolarHBondContact CB-OD1 3.42Å; R1034-D1036 PolarHBondContact O-N 2.81Å; D1036-L1040 PolarHBondContact O-N 2.81Å
1037	K	70.3	Confident	72.4	Confident	51 Å²	51	81 Å²	81	22%	0.222	43%	0.427	C	S	.	.	H	α-helix	trans	-88.4	-30.5	179.6	-67.7	-178.4	168	-161.7	0	112.7	Q1013 V1017 L1033 R1034 D1035 L1040 I1041	Q1013-K1037 PolarHBondContact O-NZ 3.28Å; V1017-K1037 HydrophobicContact CG2-CD 3.7Å; V1017-K1037 VanDerWaalsContact CG2-NZ 3.25Å; L1033-K1037 HydrophobicContact CB-CB 4.33Å; R1034-K1037 WeakPolarHBondContact O-CA 3.36Å; R1034-K1037 PolarHBondContact O-N 2.86Å; D1035-K1037 VanDerWaalsContact C-N 3.27Å; D1035-K1037 PolarHBondContact O-N 2.85Å; K1037-L1040 PolarHBondContact O-N 2.72Å; K1037-I1041 WeakPolarHBondContact O-CD1 3.41Å; K1037-I1041 WeakPolarHBondContact O-CG1 3.49Å; K1037-I1041 PolarHBondContact O-N 3.12Å; K1037-I1041 VanDerWaalsContact O-N 3.16Å
1038	L	69.3	Low	71.6	Confident	44 Å²	44	80.5 Å²	80.5	23%	0.23	42%	0.419	C	S	.	.	H	α-helix	trans	-63.1	-51.2	168.5	-71	168.9	0	0	0	110	L1033 R1034 D1035 L1040 I1041 E1042	L1033-L1038 HydrophobicContact CB-CD2 4.09Å; L1033-L1038 HydrophobicContact CB-CG 4.03Å; L1033-L1038 WeakPolarHBondContact O-CD1 3.18Å; R1034-L1038 PolarHBondContact O-N 2.82Å; D1035-L1038 PolarHBondContact O-N 3.05Å; L1038-L1040 PolarHBondContact O-N 2.91Å; L1038-I1041 WeakPolarHBondContact O-CA 3Å; L1038-I1041 WeakPolarHBondContact O-CB 3.47Å; L1038-I1041 PolarHBondContact O-N 3.1Å; L1038-E1042 WeakPolarHBondContact O-CG 3.31Å; L1038-E1042 PolarHBondContact O-N 3.44Å
1039	A	72.5	Confident	70.9	Confident	50 Å²	50	84 Å²	84	41%	0.413	42%	0.419	S	S	.	.	H	α-helix	trans	-58	-32.9	176.9	0	0	0	0	0	113	D1035 N1043	D1035-A1039 VanDerWaalsContact O-CB 3.24Å; D1035-A1039 WeakPolarHBondContact O-CB 3.41Å; D1035-A1039 PolarHBondContact O-N 3.45Å; A1039-N1043 WeakPolarHBondContact O-CB 3.43Å; A1039-N1043 PolarHBondContact O-N 3.49Å
1040	L	69.4	Low	70.4	Confident	57 Å²	57	81.9 Å²	81.9	30%	0.298	40%	0.403	S	S	.	.	H	α-helix	trans	-67.7	-42.9	172.8	-173.2	73.1	0	0	0	112.5	A982 W1014 D1036 K1037 L1038 N1043 C1044	A982-L1040 WeakPolarHBondContact O-CD2 3.45Å; W1014-L1040 HydrophobicContact CH2-CD2 3.42Å; W1014-L1040 VanDerWaalsContact CH2-CD2 3.42Å; W1014-L1040 HydrophobicContact CZ3-CD2 3.53Å; D1036-L1040 PolarHBondContact O-N 2.81Å; K1037-L1040 PolarHBondContact O-N 2.72Å; L1038-L1040 PolarHBondContact O-N 2.91Å; L1040-N1043 CarbonylContact O-C 3.55Å; L1040-N1043 PolarHBondContact O-N 3.08Å; L1040-C1044 PolarHBondContact O-N 3.22Å
1041	I	69.9	Low	70.2	Confident	20 Å²	20	75.8 Å²	75.8	10%	0.103	38%	0.383	C	S	.	.	H	α-helix	trans	-65.7	-43.5	176.2	-67.9	161.8	0	0	0	110.1	A982 I1021 L1033 K1037 L1038 N1043 C1044 Q1045	A982-I1041 HydrophobicContact CB-CB 4.42Å; A982-I1041 HydrophobicContact CB-CG1 3.64Å; I1021-I1041 HydrophobicContact CD1-CD1 3.85Å; I1021-I1041 HydrophobicContact CG1-CD1 4.3Å; L1033-I1041 HydrophobicContact CD1-CD1 3.33Å; K1037-I1041 WeakPolarHBondContact O-CD1 3.41Å; K1037-I1041 WeakPolarHBondContact O-CG1 3.49Å; K1037-I1041 PolarHBondContact O-N 3.12Å; K1037-I1041 VanDerWaalsContact O-N 3.16Å; L1038-I1041 WeakPolarHBondContact O-CA 3Å; L1038-I1041 WeakPolarHBondContact O-CB 3.47Å; L1038-I1041 PolarHBondContact O-N 3.1Å; I1041-N1043 VanDerWaalsContact C-N 3.33Å; I1041-N1043 PolarHBondContact O-N 3.1Å; I1041-C1044 CarbonylContact O-C 3.58Å; I1041-C1044 WeakPolarHBondContact O-CA 3.44Å; I1041-C1044 WeakPolarHBondContact O-CB 3.5Å; I1041-C1044 PolarHBondContact O-N 2.79Å; I1041-Q1045 WeakPolarHBondContact O-CG 3.44Å; I1041-Q1045 PolarHBondContact O-N 3.13Å
1042	E	72	Confident	70.4	Confident	112 Å²	112	76 Å²	76	52%	0.523	38%	0.383	S	S	.	.	H	α-helix	trans	-62.7	-37.8	175.4	-69.6	169	178.9	0	0	111.5	L1038 C1044 Q1045 S1046	L1038-E1042 WeakPolarHBondContact O-CG 3.31Å; L1038-E1042 PolarHBondContact O-N 3.44Å; E1042-C1044 VanDerWaalsContact C-N 3.3Å; E1042-C1044 PolarHBondContact O-N 3.04Å; E1042-Q1045 PolarHBondContact O-N 3.18Å; E1042-S1046 WeakPolarHBondContact O-CB 3.46Å; E1042-S1046 PolarHBondContact O-N 2.94Å; E1042-S1046 PolarHBondContact O-OG 3.46Å
1043	N	70.6	Confident	70.7	Confident	83 Å²	83	76.2 Å²	76.2	44%	0.444	39%	0.389	S	S	.	.	H	α-helix	trans	-73.1	-17.4	171.6	-172.1	26.1	0	0	0	113.3	A1039 L1040 I1041 S1046 R1047	A1039-N1043 WeakPolarHBondContact O-CB 3.43Å; A1039-N1043 PolarHBondContact O-N 3.49Å; L1040-N1043 CarbonylContact O-C 3.55Å; L1040-N1043 PolarHBondContact O-N 3.08Å; I1041-N1043 VanDerWaalsContact C-N 3.33Å; I1041-N1043 PolarHBondContact O-N 3.1Å; N1043-S1046 WeakPolarHBondContact CA-OG 3.19Å; N1043-S1046 PolarHBondContact O-OG 3.5Å; N1043-R1047 PolarHBondContact O-NE 3.23Å; N1043-R1047 PolarHBondContact O-NH2 3.21Å
1044	C	68.4	Low	71.1	Confident	6 Å²	6	76.4 Å²	76.4	4%	0.041	39%	0.391	C	S	.	.	H	α-helix	trans	-81.3	-38.1	165.5	-76.1	0	0	0	0	111.4	M733 A982 L1040 I1041 E1042 R1047 Y1048	M733-C1044 HydrophobicContact CE-CB 4.05Å; M733-C1044 WeakPolarHBondContact CE-O 3.45Å; A982-C1044 HydrophobicContact CB-CB 4.41Å; L1040-C1044 PolarHBondContact O-N 3.22Å; I1041-C1044 CarbonylContact O-C 3.58Å; I1041-C1044 WeakPolarHBondContact O-CA 3.44Å; I1041-C1044 WeakPolarHBondContact O-CB 3.5Å; I1041-C1044 PolarHBondContact O-N 2.79Å; E1042-C1044 VanDerWaalsContact C-N 3.3Å; E1042-C1044 PolarHBondContact O-N 3.04Å; C1044-R1047 PolarHBondContact O-N 2.91Å; C1044-R1047 PolarHBondContact SG-NH2 3.35Å; C1044-Y1048 VanDerWaalsContact O-CB 3.31Å; C1044-Y1048 WeakPolarHBondContact O-CB 3.39Å; C1044-Y1048 PolarHBondContact O-N 2.97Å
1045	Q	67.7	Low	71.8	Confident	97 Å²	97	70.3 Å²	70.3	45%	0.453	38%	0.375	S	S	.	.	H	α-helix	trans	-64.7	-42.7	175	-71.7	170.6	-6	0	0	112.3	L978 I1041 E1042 R1047 Y1048	L978-Q1045 HydrophobicContact CD1-CG 3.99Å; L978-Q1045 HydrophobicContact CD2-CB 4.42Å; L978-Q1045 HydrophobicContact CD2-CG 3.79Å; L978-Q1045 HydrophobicContact CG-CG 4.42Å; I1041-Q1045 WeakPolarHBondContact O-CG 3.44Å; I1041-Q1045 PolarHBondContact O-N 3.13Å; E1042-Q1045 PolarHBondContact O-N 3.18Å; Q1045-R1047 VanDerWaalsContact C-N 3.26Å; Q1045-R1047 PolarHBondContact O-N 2.86Å; Q1045-Y1048 CarbonylContact O-C 3.5Å; Q1045-Y1048 PolarHBondContact O-N 2.69Å
1046	S	64.6	Low	72.5	Confident	85 Å²	85	70.4 Å²	70.4	59%	0.594	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-30.1	178.4	67.3	0	0	0	0	113.4	E1042 N1043	E1042-S1046 WeakPolarHBondContact O-CB 3.46Å; E1042-S1046 PolarHBondContact O-N 2.94Å; E1042-S1046 PolarHBondContact O-OG 3.46Å; N1043-S1046 WeakPolarHBondContact CA-OG 3.19Å; N1043-S1046 PolarHBondContact O-OG 3.5Å
1047	R	66.4	Low	73.4	Confident	130 Å²	130	70.2 Å²	70.2	49%	0.491	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-27.8	174.9	-72.1	-177.8	-70.7	148.8	3.9	113	M733 N1043 C1044 Q1045 H1049	M733-R1047 HydrophobicContact CE-CB 3.69Å; N1043-R1047 PolarHBondContact O-NE 3.23Å; N1043-R1047 PolarHBondContact O-NH2 3.21Å; C1044-R1047 PolarHBondContact O-N 2.91Å; C1044-R1047 PolarHBondContact SG-NH2 3.35Å; Q1045-R1047 VanDerWaalsContact C-N 3.26Å; Q1045-R1047 PolarHBondContact O-N 2.86Å; R1047-H1049 PolarHBondContact O-N 3.45Å
1048	Y	68.2	Low	74.3	Confident	16 Å²	16	69.4 Å²	69.4	6%	0.063	38%	0.375	C	S	.	.			trans	-86.9	83.5	176.9	-172.8	-92.9	0	0	0	110.5	E974 T977 L978 C1044 Q1045 W1050	E974-Y1048 HydrophobicContact CB-CE1 4.34Å; E974-Y1048 HydrophobicContact CG-CD1 4.3Å; E974-Y1048 HydrophobicContact CG-CE1 3.68Å; T977-Y1048 HydrophobicContact CG2-CD2 4.24Å; T977-Y1048 HydrophobicContact CG2-CE2 3.67Å; L978-Y1048 HydrophobicContact CD2-CD1 3.95Å; L978-Y1048 HydrophobicContact CD2-CG 3.86Å; L978-Y1048 HydrophobicContact CG-CD1 4.3Å; C1044-Y1048 VanDerWaalsContact O-CB 3.31Å; C1044-Y1048 WeakPolarHBondContact O-CB 3.39Å; C1044-Y1048 PolarHBondContact O-N 2.97Å; Q1045-Y1048 CarbonylContact O-C 3.5Å; Q1045-Y1048 PolarHBondContact O-N 2.69Å; Y1048-W1050 HydrophobicContact CE1-CB 4.18Å
1049	H	66.9	Low	75.4	Confident	131 Å²	131	69.5 Å²	69.5	61%	0.606	38%	0.376	S	S	*	.			trans	-99.8	116.8	172.3	-169	71.8	0	0	0	111	R1047	R1047-H1049 PolarHBondContact O-N 3.45Å
1050	W	70.2	Confident	76.3	Confident	34 Å²	34	69.1 Å²	69.1	13%	0.129	37%	0.372	C	S	.	.	S	Bend	trans	-130.4	136.4	175.6	-162	-81.1	0	0	0	113	P736 A739 N740 R743 Y1048 T1052 D1117	P736-W1050 HydrophobicContact CB-CH2 3.42Å; P736-W1050 VanDerWaalsContact CB-CH2 3.42Å; P736-W1050 HydrophobicContact CB-CZ3 3.69Å; A739-W1050 HydrophobicContact CB-CE3 3.98Å; A739-W1050 HydrophobicContact CB-CH2 3.79Å; A739-W1050 HydrophobicContact CB-CZ2 4.44Å; A739-W1050 HydrophobicContact CB-CZ3 3.55Å; N740-W1050 WeakPolarHBondContact ND2-CH2 3.43Å; N740-W1050 WeakPolarHBondContact ND2-CZ2 3.38Å; N740-W1050 WeakPolarHBondContact OD1-CZ2 3.31Å; R743-W1050 VanDerWaalsContact NE-NE1 3.11Å; R743-W1050 VanDerWaalsContact NH1-CD1 3.29Å; Y1048-W1050 HydrophobicContact CE1-CB 4.18Å; W1050-T1052 HydrophobicContact CE3-CG2 3.98Å; W1050-T1052 HydrophobicContact CZ3-CG2 3.78Å; W1050-D1117 HydrophobicContact CZ2-CB 4.03Å; W1050-D1117 PolarHBondContact NE1-OD1 3.07Å
1051	P	70.6	Confident	77.4	Confident	69 Å²	69	71.5 Å²	71.5	45%	0.448	38%	0.382	S	S	.	.	S	Bend	cis	-69	143.1	-3.8	29.5	-35.1	0	0	0	113	D1117	P1051-D1117 HydrophobicContact CB-CB 4.13Å
1052	T	75.3	Confident	78.6	Confident	38 Å²	38	70.6 Å²	70.6	23%	0.233	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-58.5	142	171.1	49.7	0	0	0	0	110.5	P736 W1050 V1054	P736-T1052 HydrophobicContact CB-CG2 4.42Å; W1050-T1052 HydrophobicContact CE3-CG2 3.98Å; W1050-T1052 HydrophobicContact CZ3-CG2 3.78Å; T1052-V1054 PolarHBondContact O-N 2.9Å
1053	V	78.8	Confident	79.7	Confident	126 Å²	126	67.8 Å²	67.8	76%	0.764	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-60.3	122.5	174.1	-178	0	0	0	0	109.1
1054	V	83.5	Confident	80.8	Confident	28 Å²	28	67.1 Å²	67.1	17%	0.17	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-92	131.5	-178.5	-173.9	0	0	0	0	109.1	T1052 Q1058 I1059 I1116 T1120	T1052-V1054 PolarHBondContact O-N 2.9Å; V1054-Q1058 HydrophobicContact CG1-CB 3.76Å; V1054-I1059 HydrophobicContact CG1-CG1 4.01Å; V1054-I1116 HydrophobicContact CG1-CD1 4.34Å; V1054-I1116 HydrophobicContact CG1-CG1 4.18Å; V1054-I1116 HydrophobicContact CG1-CG2 4.22Å; V1054-I1116 HydrophobicContact CG2-CG2 4.12Å; V1054-T1120 HydrophobicContact CG2-CG2 4.22Å
1055	T	88.1	Confident	82	Confident	66 Å²	66	68.1 Å²	68.1	41%	0.405	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-80.6	153.5	-178.4	58.3	0	0	0	0	112.6	T1057 Q1058 I1059	T1055-T1057 PolarHBondContact O-N 3.41Å; T1055-T1057 PolarHBondContact OG1-OG1 3.39Å; T1055-T1057 VanDerWaalsContact OG1-OG1 3.13Å; T1055-Q1058 WeakPolarHBondContact O-CB 3.15Å; T1055-Q1058 PolarHBondContact O-N 2.98Å; T1055-Q1058 VanDerWaalsContact O-N 3.08Å; T1055-Q1058 WeakPolarHBondContact OG1-CG 3.02Å; T1055-Q1058 PolarHBondContact OG1-N 2.75Å; T1055-Q1058 PolarHBondContact OG1-OE1 3.26Å; T1055-I1059 WeakPolarHBondContact O-CG1 3.5Å; T1055-I1059 PolarHBondContact O-N 2.94Å
1056	D	88.9	Confident	83.2	Confident	135 Å²	135	63.5 Å²	63.5	72%	0.722	35%	0.347	S	S	*	.	H	α-helix	trans	-60.3	-29.8	177.5	-64.1	-52.5	0	0	0	112.9	I1059 A1060	D1056-I1059 PolarHBondContact O-N 3.43Å; D1056-A1060 WeakPolarHBondContact O-CB 3.35Å; D1056-A1060 PolarHBondContact O-N 2.9Å
1057	T	90.3	Very high	84.5	Confident	96 Å²	96	65 Å²	65	59%	0.589	34%	0.34	S	S	*	.	H	α-helix	trans	-68.2	-41.6	174.5	52.8	0	0	0	0	111.8	T1055 A1060 Q1061	T1055-T1057 PolarHBondContact O-N 3.41Å; T1055-T1057 PolarHBondContact OG1-OG1 3.39Å; T1055-T1057 VanDerWaalsContact OG1-OG1 3.13Å; T1057-A1060 PolarHBondContact O-N 3.17Å; T1057-Q1061 VanDerWaalsContact O-CG 3.29Å; T1057-Q1061 WeakPolarHBondContact O-CG 3.23Å; T1057-Q1061 PolarHBondContact O-N 3.47Å
1058	Q	89.3	Confident	85.7	Confident	35 Å²	35	61.8 Å²	61.8	16%	0.164	33%	0.332	C	S	.	.	H	α-helix	trans	-62.3	-43	170.4	-79.1	171.7	-64.5	0	0	111.7	V1054 T1055 A1060 Q1061 V1062 D1115 I1116	V1054-Q1058 HydrophobicContact CG1-CB 3.76Å; T1055-Q1058 WeakPolarHBondContact O-CB 3.15Å; T1055-Q1058 PolarHBondContact O-N 2.98Å; T1055-Q1058 VanDerWaalsContact O-N 3.08Å; T1055-Q1058 WeakPolarHBondContact OG1-CG 3.02Å; T1055-Q1058 PolarHBondContact OG1-N 2.75Å; T1055-Q1058 PolarHBondContact OG1-OE1 3.26Å; Q1058-A1060 PolarHBondContact O-N 3.37Å; Q1058-Q1061 PolarHBondContact O-N 2.93Å; Q1058-V1062 WeakPolarHBondContact O-CG2 3.29Å; Q1058-V1062 PolarHBondContact O-N 3.04Å; Q1058-D1115 PolarHBondContact NE2-OD2 3.48Å; Q1058-I1116 HydrophobicContact CB-CD1 3.86Å; Q1058-I1116 HydrophobicContact CB-CG1 4.45Å; Q1058-I1116 HydrophobicContact CG-CD1 4.4Å
1059	I	91.6	Very high	86.9	Confident	46 Å²	46	61 Å²	61	24%	0.236	33%	0.329	C	S	.	.	H	α-helix	trans	-58.3	-48.6	175.7	-65.4	170.5	0	0	0	110.2	V1054 T1055 D1056 Q1061 V1062 Q1063 I1124	V1054-I1059 HydrophobicContact CG1-CG1 4.01Å; T1055-I1059 WeakPolarHBondContact O-CG1 3.5Å; T1055-I1059 PolarHBondContact O-N 2.94Å; D1056-I1059 PolarHBondContact O-N 3.43Å; I1059-Q1061 VanDerWaalsContact C-N 3.32Å; I1059-Q1061 PolarHBondContact O-N 3.36Å; I1059-V1062 PolarHBondContact O-N 3.34Å; I1059-Q1063 HydrophobicContact CG2-CG 4.4Å; I1059-Q1063 WeakPolarHBondContact O-CG 3.2Å; I1059-Q1063 PolarHBondContact O-N 3.12Å; I1059-I1124 HydrophobicContact CB-CD1 4.36Å; I1059-I1124 HydrophobicContact CG1-CD1 4.1Å; I1059-I1124 HydrophobicContact CG2-CD1 4.11Å; I1059-I1124 HydrophobicContact CG2-CG1 4.35Å
1060	A	92	Very high	87.9	Confident	41 Å²	41	54.9 Å²	54.9	34%	0.339	30%	0.301	S	S	.	.	H	α-helix	trans	-62.8	-35	177.7	0	0	0	0	0	113.1	D1056 T1057 Q1058 T1064	D1056-A1060 WeakPolarHBondContact O-CB 3.35Å; D1056-A1060 PolarHBondContact O-N 2.9Å; T1057-A1060 PolarHBondContact O-N 3.17Å; Q1058-A1060 PolarHBondContact O-N 3.37Å; A1060-T1064 VanDerWaalsContact O-CB 3.29Å; A1060-T1064 WeakPolarHBondContact O-CB 3.2Å; A1060-T1064 PolarHBondContact O-N 2.9Å; A1060-T1064 PolarHBondContact O-OG1 2.92Å
1061	Q	92.9	Very high	88.8	Confident	108 Å²	108	60.7 Å²	60.7	51%	0.505	33%	0.329	S	S	.	.	H	α-helix	trans	-67.6	-42	174	-73.1	175.5	25.9	0	0	112.1	T1057 Q1058 I1059 T1064 T1065	T1057-Q1061 VanDerWaalsContact O-CG 3.29Å; T1057-Q1061 WeakPolarHBondContact O-CG 3.23Å; T1057-Q1061 PolarHBondContact O-N 3.47Å; Q1058-Q1061 PolarHBondContact O-N 2.93Å; I1059-Q1061 VanDerWaalsContact C-N 3.32Å; I1059-Q1061 PolarHBondContact O-N 3.36Å; Q1061-T1064 PolarHBondContact O-N 3.5Å; Q1061-T1065 WeakPolarHBondContact O-CB 3.42Å; Q1061-T1065 PolarHBondContact O-N 3.2Å; Q1061-T1065 PolarHBondContact O-OG1 3.01Å
1062	V	93.5	Very high	89.6	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-61.3	-52.5	172.5	175.4	0	0	0	0	110.1	Q1058 I1059 T1064 T1065 V1066 H1113 I1116 I1121 I1124	Q1058-V1062 WeakPolarHBondContact O-CG2 3.29Å; Q1058-V1062 PolarHBondContact O-N 3.04Å; I1059-V1062 PolarHBondContact O-N 3.34Å; V1062-T1064 VanDerWaalsContact C-N 3.31Å; V1062-T1064 PolarHBondContact O-N 3.49Å; V1062-T1065 CarbonylContact O-C 3.53Å; V1062-T1065 WeakPolarHBondContact O-CA 3.48Å; V1062-T1065 WeakPolarHBondContact O-CB 3.31Å; V1062-T1065 PolarHBondContact O-N 2.92Å; V1062-V1066 HydrophobicContact CG1-CG2 4.09Å; V1062-V1066 WeakPolarHBondContact O-CG2 3.33Å; V1062-V1066 PolarHBondContact O-N 3.4Å; V1062-H1113 HydrophobicContact CG2-CB 4.21Å; V1062-I1116 HydrophobicContact CG2-CD1 3.25Å; V1062-I1121 HydrophobicContact CG1-CG2 4.28Å; V1062-I1124 HydrophobicContact CB-CD1 4.16Å; V1062-I1124 HydrophobicContact CB-CG2 4.24Å; V1062-I1124 HydrophobicContact CG1-CB 4.07Å; V1062-I1124 HydrophobicContact CG1-CD1 4.1Å; V1062-I1124 HydrophobicContact CG1-CG2 3.71Å; V1062-I1124 HydrophobicContact CG2-CD1 4.47Å
1063	Q	94.9	Very high	90.1	Very high	54 Å²	54	61.3 Å²	61.3	25%	0.252	32%	0.323	S	S	.	.	H	α-helix	trans	-52.8	-48.7	178.1	-71.5	-179.1	-9.6	0	0	111.9	I1059 T1065 V1066 R1067 I1124 E1128	I1059-Q1063 HydrophobicContact CG2-CG 4.4Å; I1059-Q1063 WeakPolarHBondContact O-CG 3.2Å; I1059-Q1063 PolarHBondContact O-N 3.12Å; Q1063-T1065 VanDerWaalsContact C-N 3.26Å; Q1063-T1065 PolarHBondContact O-N 3.21Å; Q1063-V1066 PolarHBondContact O-N 2.93Å; Q1063-V1066 VanDerWaalsContact O-N 3.17Å; Q1063-R1067 WeakPolarHBondContact O-CG 3.39Å; Q1063-R1067 PolarHBondContact O-N 3.19Å; Q1063-I1124 HydrophobicContact CG-CG2 3.57Å; Q1063-E1128 HydrophobicContact CB-CG 4.18Å; Q1063-E1128 HydrophobicContact CG-CG 3.91Å; Q1063-E1128 WeakPolarHBondContact CG-OE1 3.43Å; Q1063-E1128 PolarHBondContact NE2-OE1 2.95Å
1064	T	93.7	Very high	90.2	Very high	68 Å²	68	58.3 Å²	58.3	42%	0.417	30%	0.301	S	S	.	.	H	α-helix	trans	-59.6	-38.1	176.7	-59.3	0	0	0	0	111.6	A1060 Q1061 V1062 N1068	A1060-T1064 VanDerWaalsContact O-CB 3.29Å; A1060-T1064 WeakPolarHBondContact O-CB 3.2Å; A1060-T1064 PolarHBondContact O-N 2.9Å; A1060-T1064 PolarHBondContact O-OG1 2.92Å; Q1061-T1064 PolarHBondContact O-N 3.5Å; V1062-T1064 VanDerWaalsContact C-N 3.31Å; V1062-T1064 PolarHBondContact O-N 3.49Å; T1064-N1068 WeakPolarHBondContact O-CB 3.42Å; T1064-N1068 PolarHBondContact O-N 3.02Å; T1064-N1068 PolarHBondContact O-ND2 3.4Å
1065	T	94	Very high	89.9	Confident	27 Å²	27	62.6 Å²	62.6	17%	0.166	33%	0.332	C	S	.	.	H	α-helix	trans	-72.5	-36	177.4	-51.9	0	0	0	0	112.1	Q1061 V1062 Q1063 N1068 F1069 F1090 F1109 H1113	Q1061-T1065 WeakPolarHBondContact O-CB 3.42Å; Q1061-T1065 PolarHBondContact O-N 3.2Å; Q1061-T1065 PolarHBondContact O-OG1 3.01Å; V1062-T1065 CarbonylContact O-C 3.53Å; V1062-T1065 WeakPolarHBondContact O-CA 3.48Å; V1062-T1065 WeakPolarHBondContact O-CB 3.31Å; V1062-T1065 PolarHBondContact O-N 2.92Å; Q1063-T1065 VanDerWaalsContact C-N 3.26Å; Q1063-T1065 PolarHBondContact O-N 3.21Å; T1065-N1068 PolarHBondContact O-N 2.9Å; T1065-F1069 WeakPolarHBondContact O-CB 3.27Å; T1065-F1069 PolarHBondContact O-N 3.4Å; T1065-F1090 HydrophobicContact CG2-CE1 4.22Å; T1065-F1090 HydrophobicContact CG2-CE2 4.01Å; T1065-F1090 HydrophobicContact CG2-CZ 3.64Å; T1065-F1109 HydrophobicContact CG2-CD1 3.99Å; T1065-F1109 HydrophobicContact CG2-CE1 4.1Å; T1065-H1113 WeakPolarHBondContact CB-NE2 3.39Å; T1065-H1113 PolarHBondContact OG1-NE2 2.98Å
1066	V	93.3	Very high	89.5	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.006	34%	0.339	C	S	.	.	H	α-helix	trans	-63.5	-50.9	173.1	174.9	0	0	0	0	110.5	V1062 Q1063 N1068 F1069 V1070 I1086 F1090 A1125 E1128	V1062-V1066 HydrophobicContact CG1-CG2 4.09Å; V1062-V1066 WeakPolarHBondContact O-CG2 3.33Å; V1062-V1066 PolarHBondContact O-N 3.4Å; Q1063-V1066 PolarHBondContact O-N 2.93Å; Q1063-V1066 VanDerWaalsContact O-N 3.17Å; V1066-N1068 VanDerWaalsContact C-N 3.31Å; V1066-N1068 PolarHBondContact O-N 3.39Å; V1066-F1069 WeakPolarHBondContact O-CB 3.25Å; V1066-F1069 PolarHBondContact O-N 3.49Å; V1066-V1070 HydrophobicContact CG1-CG2 4.34Å; V1066-V1070 WeakPolarHBondContact O-CG2 3.44Å; V1066-V1070 PolarHBondContact O-N 2.85Å; V1066-I1086 HydrophobicContact CG1-CD1 3.97Å; V1066-I1086 HydrophobicContact CG2-CG2 4.19Å; V1066-F1090 HydrophobicContact CG2-CE2 3.92Å; V1066-F1090 HydrophobicContact CG2-CZ 4.2Å; V1066-A1125 HydrophobicContact CG1-CB 4.47Å; V1066-A1125 HydrophobicContact CG2-CB 3.94Å; V1066-E1128 HydrophobicContact CB-CB 4.31Å; V1066-E1128 HydrophobicContact CB-CG 4.4Å; V1066-E1128 HydrophobicContact CG1-CB 3.65Å; V1066-E1128 HydrophobicContact CG1-CG 4.26Å
1067	R	92.7	Very high	88.9	Confident	117 Å²	117	58 Å²	58	44%	0.442	31%	0.311	S	S	.	.	H	α-helix	trans	-56.6	-45.1	176.4	-66	171.1	-164	149	12.5	111.3	Q1063 F1069 V1070 H1071 E1128	Q1063-R1067 WeakPolarHBondContact O-CG 3.39Å; Q1063-R1067 PolarHBondContact O-N 3.19Å; R1067-F1069 VanDerWaalsContact C-N 3.33Å; R1067-F1069 PolarHBondContact O-N 3.03Å; R1067-V1070 PolarHBondContact O-N 3.33Å; R1067-H1071 VanDerWaalsContact O-CB 3.29Å; R1067-H1071 WeakPolarHBondContact O-CB 3.28Å; R1067-H1071 PolarHBondContact O-N 2.68Å; R1067-E1128 WeakPolarHBondContact CG-OE2 3.47Å; R1067-E1128 IonicContact CZ-OE1 3.35Å; R1067-E1128 IonicContact CZ-OE2 3.54Å; R1067-E1128 IonicContact NE-OE1 2.69Å; R1067-E1128 IonicContact NE-OE2 2.82Å; R1067-E1128 PolarHBondContact NE-OE2 3.47Å; R1067-E1128 VanDerWaalsContact NH2-CD 3.29Å; R1067-E1128 IonicContact NH2-OE1 3.45Å; R1067-E1128 PolarHBondContact NH2-OE1 3.47Å; R1067-E1128 IonicContact NH2-OE2 3.8Å; R1067-E1128 PolarHBondContact NH2-OE2 3.38Å
1068	N	91.9	Very high	87.8	Confident	61 Å²	61	59.7 Å²	59.7	33%	0.326	32%	0.317	S	S	.	.	H	α-helix	trans	-61.8	-34.9	173.9	-88.3	-75.4	0	0	0	113.7	T1064 T1065 V1066 I1072 R1108 F1109	T1064-N1068 WeakPolarHBondContact O-CB 3.42Å; T1064-N1068 PolarHBondContact O-N 3.02Å; T1064-N1068 PolarHBondContact O-ND2 3.4Å; T1065-N1068 PolarHBondContact O-N 2.9Å; V1066-N1068 VanDerWaalsContact C-N 3.31Å; V1066-N1068 PolarHBondContact O-N 3.39Å; N1068-I1072 WeakPolarHBondContact O-CD1 3.32Å; N1068-I1072 VanDerWaalsContact O-CG1 3.28Å; N1068-I1072 WeakPolarHBondContact O-CG1 2.9Å; N1068-R1108 PolarHBondContact OD1-NH2 2.98Å; N1068-F1109 HydrophobicContact CB-CE1 4.36Å; N1068-F1109 HydrophobicContact CB-CZ 4.45Å
1069	F	91.8	Very high	86.7	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-71.4	-48.3	177.3	176.7	-90.3	0	0	0	111.4	T1065 V1066 R1067 I1072 Y1073 L1077 I1081 I1086 I1089 F1090 W1103 F1109	T1065-F1069 WeakPolarHBondContact O-CB 3.27Å; T1065-F1069 PolarHBondContact O-N 3.4Å; V1066-F1069 WeakPolarHBondContact O-CB 3.25Å; V1066-F1069 PolarHBondContact O-N 3.49Å; R1067-F1069 VanDerWaalsContact C-N 3.33Å; R1067-F1069 PolarHBondContact O-N 3.03Å; F1069-I1072 PolarHBondContact O-N 3.37Å; F1069-Y1073 AromaticContact CD2-CD2 3.69Å; F1069-Y1073 HydrophobicContact CD2-CD2 3.69Å; F1069-Y1073 HydrophobicContact CD2-CE2 4.09Å; F1069-Y1073 AromaticContact CE2-CD2 3.56Å; F1069-Y1073 HydrophobicContact CE2-CD2 3.56Å; F1069-Y1073 AromaticContact CE2-CE2 3.99Å; F1069-Y1073 HydrophobicContact CE2-CE2 3.99Å; F1069-Y1073 HydrophobicContact CE2-CG 4.41Å; F1069-Y1073 HydrophobicContact CG-CD2 4.33Å; F1069-Y1073 HydrophobicContact CZ-CD2 4.09Å; F1069-Y1073 PolarHBondContact O-N 3.48Å; F1069-Y1073 VanDerWaalsContact O-N 3.1Å; F1069-L1077 HydrophobicContact CE1-CD1 4.35Å; F1069-L1077 HydrophobicContact CZ-CD1 4.06Å; F1069-I1081 HydrophobicContact CE1-CD1 4.24Å; F1069-I1081 HydrophobicContact CE1-CG2 4.27Å; F1069-I1086 HydrophobicContact CD1-CD1 4.01Å; F1069-I1086 HydrophobicContact CD1-CG1 4.06Å; F1069-I1086 HydrophobicContact CE1-CD1 4.38Å; F1069-I1086 HydrophobicContact CE1-CG1 4.04Å; F1069-I1089 HydrophobicContact CE1-CD1 4.3Å; F1069-I1089 HydrophobicContact CE2-CD1 3.73Å; F1069-I1089 HydrophobicContact CE2-CG2 4.34Å; F1069-I1089 HydrophobicContact CZ-CD1 3.4Å; F1069-F1090 HydrophobicContact CB-CE1 4.46Å; F1069-F1090 HydrophobicContact CB-CZ 4.49Å; F1069-F1090 HydrophobicContact CD2-CE1 4.49Å; F1069-W1103 HydrophobicContact CE2-CH2 4.19Å; F1069-W1103 AromaticContact CE2-CZ3 3.9Å; F1069-W1103 HydrophobicContact CE2-CZ3 3.9Å; F1069-W1103 HydrophobicContact CZ-CH2 4.39Å; F1069-W1103 HydrophobicContact CZ-CZ3 4.49Å; F1069-F1109 HydrophobicContact CB-CD1 4.06Å; F1069-F1109 HydrophobicContact CB-CE1 3.75Å; F1069-F1109 HydrophobicContact CB-CZ 4.17Å; F1069-F1109 HydrophobicContact CD2-CB 4.28Å; F1069-F1109 HydrophobicContact CD2-CD1 4.01Å; F1069-F1109 HydrophobicContact CD2-CD2 4.06Å; F1069-F1109 HydrophobicContact CD2-CE1 4.31Å; F1069-F1109 HydrophobicContact CD2-CE2 4.36Å; F1069-F1109 AromaticContact CD2-CG 3.87Å; F1069-F1109 HydrophobicContact CD2-CG 3.87Å; F1069-F1109 HydrophobicContact CD2-CZ 4.48Å
1070	V	89.6	Confident	85.9	Confident	3 Å²	3	71.6 Å²	71.6	2%	0.018	36%	0.36	C	S	.	.	H	α-helix	trans	-59.8	-53.4	179.1	175.9	0	0	0	0	110	V1066 R1067 I1072 Y1073 E1074 I1086 L1129	V1066-V1070 HydrophobicContact CG1-CG2 4.34Å; V1066-V1070 WeakPolarHBondContact O-CG2 3.44Å; V1066-V1070 PolarHBondContact O-N 2.85Å; R1067-V1070 PolarHBondContact O-N 3.33Å; V1070-I1072 PolarHBondContact O-N 2.58Å; V1070-Y1073 PolarHBondContact O-N 2.97Å; V1070-Y1073 VanDerWaalsContact O-N 3.1Å; V1070-E1074 HydrophobicContact CG1-CB 4.1Å; V1070-E1074 WeakPolarHBondContact O-CB 3.29Å; V1070-E1074 PolarHBondContact O-N 3.43Å; V1070-I1086 HydrophobicContact CG2-CD1 4.33Å; V1070-L1129 HydrophobicContact CG2-CD2 3.76Å
1071	H	87.5	Confident	85.6	Confident	155 Å²	155	70.2 Å²	70.2	72%	0.718	35%	0.347	S	S	*	.	H	α-helix	trans	-55.8	-29.8	-179.3	-179.1	66.9	0	0	0	114.5	R1067	R1067-H1071 VanDerWaalsContact O-CB 3.29Å; R1067-H1071 WeakPolarHBondContact O-CB 3.28Å; R1067-H1071 PolarHBondContact O-N 2.68Å
1072	I	87.3	Confident	85.3	Confident	66 Å²	66	67.3 Å²	67.3	34%	0.338	34%	0.336	S	S	.	.	H	α-helix	trans	-86.9	-33	179.8	-69.3	174	0	0	0	112.6	N1068 F1069 V1070 R1108 F1109	N1068-I1072 WeakPolarHBondContact O-CD1 3.32Å; N1068-I1072 VanDerWaalsContact O-CG1 3.28Å; N1068-I1072 WeakPolarHBondContact O-CG1 2.9Å; F1069-I1072 PolarHBondContact O-N 3.37Å; V1070-I1072 PolarHBondContact O-N 2.58Å; I1072-R1108 VanDerWaalsContact CD1-NH1 3.27Å; I1072-F1109 HydrophobicContact CD1-CE2 4.38Å; I1072-F1109 HydrophobicContact CD1-CZ 4.19Å
1073	Y	86.4	Confident	85.1	Confident	54 Å²	54	67.5 Å²	67.5	21%	0.212	34%	0.339	C	S	.	.	H	α-helix	trans	-118.3	-15	-166.7	-70.4	-65.2	0	0	0	116	F1069 V1070 S1075 S1076 L1077 W1103 C1106 F1109	F1069-Y1073 AromaticContact CD2-CD2 3.69Å; F1069-Y1073 HydrophobicContact CD2-CD2 3.69Å; F1069-Y1073 HydrophobicContact CD2-CE2 4.09Å; F1069-Y1073 AromaticContact CE2-CD2 3.56Å; F1069-Y1073 HydrophobicContact CE2-CD2 3.56Å; F1069-Y1073 AromaticContact CE2-CE2 3.99Å; F1069-Y1073 HydrophobicContact CE2-CE2 3.99Å; F1069-Y1073 HydrophobicContact CE2-CG 4.41Å; F1069-Y1073 HydrophobicContact CG-CD2 4.33Å; F1069-Y1073 HydrophobicContact CZ-CD2 4.09Å; F1069-Y1073 PolarHBondContact O-N 3.48Å; F1069-Y1073 VanDerWaalsContact O-N 3.1Å; V1070-Y1073 PolarHBondContact O-N 2.97Å; V1070-Y1073 VanDerWaalsContact O-N 3.1Å; Y1073-S1075 PolarHBondContact O-N 2.9Å; Y1073-S1076 CarbonylContact O-C 3.56Å; Y1073-S1076 WeakPolarHBondContact O-CA 3.09Å; Y1073-S1076 PolarHBondContact O-N 3.4Å; Y1073-S1076 PolarHBondContact O-OG 2.84Å; Y1073-L1077 HydrophobicContact CG-CD1 4.43Å; Y1073-L1077 WeakPolarHBondContact O-CB 3.28Å; Y1073-L1077 WeakPolarHBondContact O-CG 3.46Å; Y1073-L1077 PolarHBondContact O-N 3.14Å; Y1073-W1103 HydrophobicContact CD1-CH2 4.05Å; Y1073-W1103 HydrophobicContact CD2-CH2 4.23Å; Y1073-W1103 HydrophobicContact CD2-CZ3 4.37Å; Y1073-W1103 AromaticContact CE1-CH2 3.9Å; Y1073-W1103 HydrophobicContact CE1-CH2 3.9Å; Y1073-W1103 HydrophobicContact CE1-CZ3 4.31Å; Y1073-W1103 HydrophobicContact CE2-CH2 4.07Å; Y1073-W1103 AromaticContact CE2-CZ3 3.88Å; Y1073-W1103 HydrophobicContact CE2-CZ3 3.88Å; Y1073-W1103 HydrophobicContact CG-CH2 4.21Å; Y1073-W1103 AromaticContact CZ-CH2 3.91Å; Y1073-W1103 AromaticContact CZ-CZ3 3.85Å; Y1073-C1106 PolarHBondContact OH-SG 3.08Å; Y1073-F1109 HydrophobicContact CD2-CE2 4.47Å; Y1073-F1109 AromaticContact CE2-CD2 3.87Å; Y1073-F1109 HydrophobicContact CE2-CD2 3.87Å; Y1073-F1109 AromaticContact CE2-CE2 3.75Å; Y1073-F1109 HydrophobicContact CE2-CE2 3.75Å
1074	E	80.6	Confident	85	Confident	63 Å²	63	65.2 Å²	65.2	29%	0.294	33%	0.328	S	S	.	.	H	α-helix	trans	-50.5	-53.1	-177.7	177	176.1	-129.2	0	0	112.7	V1070 S1076 L1077 D1078 H1132	V1070-E1074 HydrophobicContact CG1-CB 4.1Å; V1070-E1074 WeakPolarHBondContact O-CB 3.29Å; V1070-E1074 PolarHBondContact O-N 3.43Å; E1074-S1076 PolarHBondContact O-N 2.82Å; E1074-L1077 PolarHBondContact O-N 2.76Å; E1074-L1077 VanDerWaalsContact O-N 3.12Å; E1074-D1078 PolarHBondContact O-N 3.3Å; E1074-D1078 VanDerWaalsContact O-N 3.16Å; E1074-H1132 IonicContact OE1-CE1 2.79Å; E1074-H1132 PolarHBondContact OE1-CE1 3.09Å; E1074-H1132 VanDerWaalsContact OE1-CE1 3.31Å; E1074-H1132 IonicContact OE1-ND1 3.84Å; E1074-H1132 PolarHBondContact OE1-ND1 3.21Å; E1074-H1132 IonicContact OE2-CE1 2.8Å; E1074-H1132 PolarHBondContact OE2-CE1 2.91Å; E1074-H1132 VanDerWaalsContact OE2-CE1 3.29Å
1075	S	78.5	Confident	84.8	Confident	119 Å²	119	62.1 Å²	62.1	83%	0.832	31%	0.309	S	S	*	.	H	α-helix	trans	-61.3	-13	177.9	59.1	0	0	0	0	114.7	Y1073	Y1073-S1075 PolarHBondContact O-N 2.9Å
1076	S	78.8	Confident	84.7	Confident	79 Å²	79	60.9 Å²	60.9	55%	0.552	30%	0.301	S	S	*	.	H	α-helix	trans	-109.4	-14.6	178.8	73.6	0	0	0	0	114.3	Y1073 E1074	Y1073-S1076 CarbonylContact O-C 3.56Å; Y1073-S1076 WeakPolarHBondContact O-CA 3.09Å; Y1073-S1076 PolarHBondContact O-N 3.4Å; Y1073-S1076 PolarHBondContact O-OG 2.84Å; E1074-S1076 PolarHBondContact O-N 2.82Å
1077	L	76.7	Confident	84.7	Confident	25 Å²	25	60.8 Å²	60.8	13%	0.131	30%	0.301	C	S	.	.	H	α-helix	trans	-113.7	-6.2	-173.8	-66.7	-179.3	0	0	0	114.1	F1069 Y1073 E1074 R1079 K1080 I1081 F1098	F1069-L1077 HydrophobicContact CE1-CD1 4.35Å; F1069-L1077 HydrophobicContact CZ-CD1 4.06Å; Y1073-L1077 HydrophobicContact CG-CD1 4.43Å; Y1073-L1077 WeakPolarHBondContact O-CB 3.28Å; Y1073-L1077 WeakPolarHBondContact O-CG 3.46Å; Y1073-L1077 PolarHBondContact O-N 3.14Å; E1074-L1077 PolarHBondContact O-N 2.76Å; E1074-L1077 VanDerWaalsContact O-N 3.12Å; L1077-R1079 PolarHBondContact O-N 2.92Å; L1077-K1080 VanDerWaalsContact O-CB 3.23Å; L1077-K1080 WeakPolarHBondContact O-CB 3.38Å; L1077-K1080 WeakPolarHBondContact O-CG 3.28Å; L1077-K1080 PolarHBondContact O-N 3.14Å; L1077-I1081 HydrophobicContact CB-CD1 4.05Å; L1077-I1081 HydrophobicContact CB-CG1 3.83Å; L1077-I1081 HydrophobicContact CD1-CD1 3.95Å; L1077-I1081 HydrophobicContact CD1-CG1 3.87Å; L1077-F1098 HydrophobicContact CD1-CE1 3.75Å; L1077-F1098 HydrophobicContact CD1-CZ 3.93Å; L1077-F1098 HydrophobicContact CD2-CE1 3.96Å; L1077-F1098 HydrophobicContact CD2-CZ 4.01Å
1078	D	67.7	Low	84.8	Confident	132 Å²	132	55.3 Å²	55.3	71%	0.706	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.3	71	162.2	-165.6	14.6	0	0	0	114.3	E1074 K1080	E1074-D1078 PolarHBondContact O-N 3.3Å; E1074-D1078 VanDerWaalsContact O-N 3.16Å; D1078-K1080 PolarHBondContact O-N 3.24Å
1079	R	65.7	Low	84.8	Confident	225 Å²	225	52.4 Å²	52.4	85%	0.849	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	12.1	179.6	-59.7	-174.6	173.6	-161.2	-5	116.6	L1077 I1081	L1077-R1079 PolarHBondContact O-N 2.92Å; R1079-I1081 VanDerWaalsContact C-N 3.28Å; R1079-I1081 PolarHBondContact O-N 2.97Å
1080	K	74.7	Confident	84.9	Confident	106 Å²	106	52.4 Å²	52.4	46%	0.461	27%	0.265	S	S	.	.			trans	-80.4	-4	170.9	-60.6	-179.8	174.1	-165.3	0	114.3	L1077 D1078 T1085 H1097	L1077-K1080 VanDerWaalsContact O-CB 3.23Å; L1077-K1080 WeakPolarHBondContact O-CB 3.38Å; L1077-K1080 WeakPolarHBondContact O-CG 3.28Å; L1077-K1080 PolarHBondContact O-N 3.14Å; D1078-K1080 PolarHBondContact O-N 3.24Å; K1080-T1085 PolarHBondContact O-OG1 2.61Å; K1080-H1097 PolarHBondContact NZ-NE2 3.03Å
1081	I	84.7	Confident	85	Confident	12 Å²	12	52.2 Å²	52.2	6%	0.062	26%	0.264	C	S	.	.			trans	-80.4	128.5	-179.9	-51.4	179.3	0	0	0	109.6	F1069 L1077 R1079 I1086 L1129	F1069-I1081 HydrophobicContact CE1-CD1 4.24Å; F1069-I1081 HydrophobicContact CE1-CG2 4.27Å; L1077-I1081 HydrophobicContact CB-CD1 4.05Å; L1077-I1081 HydrophobicContact CB-CG1 3.83Å; L1077-I1081 HydrophobicContact CD1-CD1 3.95Å; L1077-I1081 HydrophobicContact CD1-CG1 3.87Å; R1079-I1081 VanDerWaalsContact C-N 3.28Å; R1079-I1081 PolarHBondContact O-N 2.97Å; I1081-I1086 HydrophobicContact CG2-CD1 3.66Å; I1081-I1086 HydrophobicContact CG2-CG1 3.73Å; I1081-L1129 HydrophobicContact CG2-CD1 4.07Å; I1081-L1129 HydrophobicContact CG2-CD2 3.92Å
1082	T	87.5	Confident	85.1	Confident	46 Å²	46	45.3 Å²	45.3	28%	0.282	23%	0.234	S	C	.	.			trans	-136.3	162.9	171.9	71.9	0	0	0	0	109.4	R1084 T1085 I1086 L1129	T1082-R1084 PolarHBondContact O-N 3.46Å; T1082-T1085 PolarHBondContact N-OG1 2.85Å; T1082-T1085 WeakPolarHBondContact O-CA 3.43Å; T1082-T1085 VanDerWaalsContact O-CB 3.26Å; T1082-T1085 WeakPolarHBondContact O-CB 3.23Å; T1082-T1085 PolarHBondContact O-N 3.04Å; T1082-T1085 PolarHBondContact OG1-N 2.69Å; T1082-T1085 VanDerWaalsContact OG1-N 3.08Å; T1082-T1085 PolarHBondContact OG1-OG1 3.33Å; T1082-I1086 PolarHBondContact O-N 3.47Å; T1082-L1129 VanDerWaalsContact C-CD1 3.48Å
1083	G	89.8	Confident	85.2	Confident	5 Å²	5	42.3 Å²	42.3	5%	0.052	22%	0.219	C	C	.	.	H	α-helix	trans	-58.7	-36.4	176.7	0	0	0	0	0	113	I1086 A1087	G1083-I1086 PolarHBondContact O-N 2.91Å; G1083-A1087 WeakPolarHBondContact O-CB 3.18Å; G1083-A1087 PolarHBondContact O-N 3.48Å
1084	R	91.5	Very high	85.3	Confident	5 Å²	5	41.9 Å²	41.9	2%	0.019	22%	0.223	C	C	.	.	H	α-helix	trans	-58.9	-46.2	169.1	171.5	-168.6	178	-103.4	3.6	111.8	H750 D801 T1082 N1088 W1118	H750-R1084 VanDerWaalsContact O-CZ 3.28Å; H750-R1084 PolarHBondContact O-NE 3.44Å; H750-R1084 PolarHBondContact O-NH2 3.42Å; D801-R1084 PolarHBondContact O-NH1 2.89Å; D801-R1084 PolarHBondContact O-NH2 2.8Å; T1082-R1084 PolarHBondContact O-N 3.46Å; R1084-N1088 WeakPolarHBondContact O-CB 3.34Å; R1084-N1088 PolarHBondContact O-N 3.07Å; R1084-N1088 PolarHBondContact O-ND2 3.28Å; R1084-W1118 HydrophobicContact CG-CH2 4.29Å; R1084-W1118 HydrophobicContact CG-CZ2 4.13Å
1085	T	90.4	Very high	85.7	Confident	4 Å²	4	39.3 Å²	39.3	3%	0.025	21%	0.212	C	C	.	.	H	α-helix	trans	-59.8	-47	178.2	-49.8	0	0	0	0	111.2	K1080 T1082 N1088 I1089 F1098	K1080-T1085 PolarHBondContact O-OG1 2.61Å; T1082-T1085 PolarHBondContact N-OG1 2.85Å; T1082-T1085 WeakPolarHBondContact O-CA 3.43Å; T1082-T1085 VanDerWaalsContact O-CB 3.26Å; T1082-T1085 WeakPolarHBondContact O-CB 3.23Å; T1082-T1085 PolarHBondContact O-N 3.04Å; T1082-T1085 PolarHBondContact OG1-N 2.69Å; T1082-T1085 VanDerWaalsContact OG1-N 3.08Å; T1082-T1085 PolarHBondContact OG1-OG1 3.33Å; T1085-N1088 WeakPolarHBondContact O-CB 3.19Å; T1085-N1088 PolarHBondContact O-N 2.78Å; T1085-I1089 HydrophobicContact CG2-CD1 4.26Å; T1085-I1089 WeakPolarHBondContact O-CG1 3.33Å; T1085-I1089 PolarHBondContact O-N 3.25Å; T1085-F1098 HydrophobicContact CG2-CD2 3.48Å; T1085-F1098 VanDerWaalsContact CG2-CD2 3.48Å; T1085-F1098 HydrophobicContact CG2-CE1 4.26Å; T1085-F1098 HydrophobicContact CG2-CE2 3.15Å; T1085-F1098 HydrophobicContact CG2-CG 4.21Å; T1085-F1098 HydrophobicContact CG2-CZ 3.59Å
1086	I	92.5	Very high	86.1	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66.6	-46.7	-179.5	-62	-177.1	0	0	0	110.9	V1066 F1069 V1070 I1081 T1082 G1083 N1088 I1089 F1090 A1125 L1129	V1066-I1086 HydrophobicContact CG1-CD1 3.97Å; V1066-I1086 HydrophobicContact CG2-CG2 4.19Å; F1069-I1086 HydrophobicContact CD1-CD1 4.01Å; F1069-I1086 HydrophobicContact CD1-CG1 4.06Å; F1069-I1086 HydrophobicContact CE1-CD1 4.38Å; F1069-I1086 HydrophobicContact CE1-CG1 4.04Å; V1070-I1086 HydrophobicContact CG2-CD1 4.33Å; I1081-I1086 HydrophobicContact CG2-CD1 3.66Å; I1081-I1086 HydrophobicContact CG2-CG1 3.73Å; T1082-I1086 PolarHBondContact O-N 3.47Å; G1083-I1086 PolarHBondContact O-N 2.91Å; I1086-N1088 VanDerWaalsContact C-N 3.26Å; I1086-N1088 PolarHBondContact O-N 2.95Å; I1086-I1089 PolarHBondContact O-N 3.23Å; I1086-I1089 VanDerWaalsContact O-N 3.15Å; I1086-F1090 HydrophobicContact CG2-CD1 4.06Å; I1086-F1090 HydrophobicContact CG2-CD2 4.1Å; I1086-F1090 HydrophobicContact CG2-CE1 3.68Å; I1086-F1090 HydrophobicContact CG2-CE2 3.73Å; I1086-F1090 HydrophobicContact CG2-CG 4.25Å; I1086-F1090 HydrophobicContact CG2-CZ 3.49Å; I1086-F1090 VanDerWaalsContact CG2-CZ 3.49Å; I1086-F1090 WeakPolarHBondContact O-CB 3.27Å; I1086-F1090 WeakPolarHBondContact O-CD1 3.08Å; I1086-F1090 WeakPolarHBondContact O-CG 3.18Å; I1086-F1090 PolarHBondContact O-N 2.6Å; I1086-A1125 HydrophobicContact CB-CB 4Å; I1086-A1125 HydrophobicContact CD1-CB 4.35Å; I1086-A1125 HydrophobicContact CG2-CB 4.02Å; I1086-L1129 HydrophobicContact CD1-CD1 3.92Å; I1086-L1129 HydrophobicContact CD1-CD2 4.31Å; I1086-L1129 HydrophobicContact CD1-CG 4.2Å
1087	A	93.6	Very high	86.5	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.2	-36.6	175.9	0	0	0	0	0	112.4	G1083 H1091 W1118 I1121 K1122	G1083-A1087 WeakPolarHBondContact O-CB 3.18Å; G1083-A1087 PolarHBondContact O-N 3.48Å; A1087-H1091 PolarHBondContact O-N 3.17Å; A1087-W1118 HydrophobicContact CB-CD2 4.29Å; A1087-W1118 HydrophobicContact CB-CG 4.32Å; A1087-W1118 HydrophobicContact CB-CZ2 4.25Å; A1087-I1121 HydrophobicContact CB-CB 4.23Å; A1087-I1121 HydrophobicContact CB-CG2 3.98Å; A1087-K1122 HydrophobicContact CB-CB 3.95Å
1088	N	93	Very high	87.1	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-63.8	-47.6	173.3	-76.8	-12.2	0	0	0	112.6	R1084 T1085 I1086 F1090 G1092 I1093 T1095 W1118	R1084-N1088 WeakPolarHBondContact O-CB 3.34Å; R1084-N1088 PolarHBondContact O-N 3.07Å; R1084-N1088 PolarHBondContact O-ND2 3.28Å; T1085-N1088 WeakPolarHBondContact O-CB 3.19Å; T1085-N1088 PolarHBondContact O-N 2.78Å; I1086-N1088 VanDerWaalsContact C-N 3.26Å; I1086-N1088 PolarHBondContact O-N 2.95Å; N1088-F1090 VanDerWaalsContact C-N 3.35Å; N1088-F1090 PolarHBondContact O-N 2.86Å; N1088-G1092 PolarHBondContact O-N 2.96Å; N1088-I1093 HydrophobicContact CB-CB 3.94Å; N1088-I1093 HydrophobicContact CB-CG2 4.2Å; N1088-I1093 PolarHBondContact O-N 3.08Å; N1088-I1093 WeakPolarHBondContact OD1-CD1 3.42Å; N1088-T1095 HydrophobicContact CB-CG2 4.33Å; N1088-W1118 WeakPolarHBondContact OD1-CZ2 3.37Å; N1088-W1118 PolarHBondContact OD1-NE1 2.88Å
1089	I	92.4	Very high	88.1	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60	-47.9	176.7	-65	165	0	0	0	110	F1069 T1085 I1086 G1092 F1098 W1103 F1109 W1110	F1069-I1089 HydrophobicContact CE1-CD1 4.3Å; F1069-I1089 HydrophobicContact CE2-CD1 3.73Å; F1069-I1089 HydrophobicContact CE2-CG2 4.34Å; F1069-I1089 HydrophobicContact CZ-CD1 3.4Å; T1085-I1089 HydrophobicContact CG2-CD1 4.26Å; T1085-I1089 WeakPolarHBondContact O-CG1 3.33Å; T1085-I1089 PolarHBondContact O-N 3.25Å; I1086-I1089 PolarHBondContact O-N 3.23Å; I1086-I1089 VanDerWaalsContact O-N 3.15Å; I1089-G1092 PolarHBondContact O-N 3.38Å; I1089-F1098 HydrophobicContact CD1-CD1 3.44Å; I1089-F1098 VanDerWaalsContact CD1-CD1 3.44Å; I1089-F1098 HydrophobicContact CD1-CE1 3.74Å; I1089-F1098 HydrophobicContact CD1-CG 4.02Å; I1089-F1098 HydrophobicContact CG1-CB 4.22Å; I1089-F1098 HydrophobicContact CG1-CD1 3.92Å; I1089-F1098 HydrophobicContact CG1-CG 4.12Å; I1089-W1103 HydrophobicContact CG2-CE3 4.36Å; I1089-F1109 HydrophobicContact CG2-CB 4.13Å; I1089-W1110 HydrophobicContact CG2-CE3 4.33Å; I1089-W1110 WeakPolarHBondContact O-CA 3.36Å
1090	F	94.2	Very high	89	Confident	0 Å²	0	20 Å²	20	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.2	-50.1	-177.7	-74.2	12.5	0	0	0	111.1	T1065 V1066 F1069 I1086 N1088 G1092 F1109 K1111 V1112 H1113 I1121	T1065-F1090 HydrophobicContact CG2-CE1 4.22Å; T1065-F1090 HydrophobicContact CG2-CE2 4.01Å; T1065-F1090 HydrophobicContact CG2-CZ 3.64Å; V1066-F1090 HydrophobicContact CG2-CE2 3.92Å; V1066-F1090 HydrophobicContact CG2-CZ 4.2Å; F1069-F1090 HydrophobicContact CB-CE1 4.46Å; F1069-F1090 HydrophobicContact CB-CZ 4.49Å; F1069-F1090 HydrophobicContact CD2-CE1 4.49Å; I1086-F1090 HydrophobicContact CG2-CD1 4.06Å; I1086-F1090 HydrophobicContact CG2-CD2 4.1Å; I1086-F1090 HydrophobicContact CG2-CE1 3.68Å; I1086-F1090 HydrophobicContact CG2-CE2 3.73Å; I1086-F1090 HydrophobicContact CG2-CG 4.25Å; I1086-F1090 HydrophobicContact CG2-CZ 3.49Å; I1086-F1090 VanDerWaalsContact CG2-CZ 3.49Å; I1086-F1090 WeakPolarHBondContact O-CB 3.27Å; I1086-F1090 WeakPolarHBondContact O-CD1 3.08Å; I1086-F1090 WeakPolarHBondContact O-CG 3.18Å; I1086-F1090 PolarHBondContact O-N 2.6Å; N1088-F1090 VanDerWaalsContact C-N 3.35Å; N1088-F1090 PolarHBondContact O-N 2.86Å; F1090-G1092 PolarHBondContact O-N 3.4Å; F1090-F1109 WeakPolarHBondContact CA-O 3.41Å; F1090-F1109 WeakPolarHBondContact CD1-O 3.24Å; F1090-F1109 HydrophobicContact CE1-CB 4.32Å; F1090-F1109 HydrophobicContact CE1-CD1 4.02Å; F1090-K1111 CarbonylContact O-C 3.47Å; F1090-K1111 WeakPolarHBondContact O-CA 3.27Å; F1090-K1111 PolarHBondContact O-N 3.12Å; F1090-V1112 CarbonylContact C-O 3.6Å; F1090-V1112 VanDerWaalsContact C-O 3.29Å; F1090-V1112 WeakPolarHBondContact CB-O 2.97Å; F1090-V1112 PolarHBondContact O-N 3.25Å; F1090-H1113 AromaticContact CD2-CD2 3.92Å; F1090-I1121 HydrophobicContact CB-CG2 4.48Å; F1090-I1121 HydrophobicContact CD2-CG2 3.77Å
1091	H	92.4	Very high	89.5	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-72.7	-10.3	175.9	-84.1	-149.1	0	0	0	115	R744 A1087 I1093 L1114 I1116 W1118 I1121	R744-H1091 HydrophobicContact CB-CB 4.04Å; R744-H1091 WeakPolarHBondContact CD-O 3.31Å; R744-H1091 PolarHBondContact NH1-O 3.3Å; A1087-H1091 PolarHBondContact O-N 3.17Å; H1091-I1093 HydrophobicContact CB-CD1 4.19Å; H1091-I1093 HydrophobicContact CB-CG1 4.23Å; H1091-L1114 HydrophobicContact CB-CD2 4.19Å; H1091-I1116 PolarHBondContact CE1-O 2.8Å; H1091-I1116 PolarHBondContact NE2-O 2.82Å; H1091-W1118 PolarHBondContact CE1-N 3.24Å; H1091-W1118 AromaticContact CG-CD1 3.95Å; H1091-W1118 AromaticContact ND1-CD1 3.82Å; H1091-I1121 VanDerWaalsContact CD2-CD1 3.5Å; H1091-I1121 WeakPolarHBondContact CD2-CD1 3.45Å; H1091-I1121 VanDerWaalsContact NE2-CD1 3.32Å; H1091-I1121 WeakPolarHBondContact NE2-CD1 3.33Å
1092	G	89.3	Confident	89.6	Confident	9 Å²	9	24.2 Å²	24.2	9%	0.093	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	33.4	-178.8	0	0	0	0	0	114.2	N1088 I1089 F1090 W1110	N1088-G1092 PolarHBondContact O-N 2.96Å; I1089-G1092 PolarHBondContact O-N 3.38Å; F1090-G1092 PolarHBondContact O-N 3.4Å; G1092-W1110 VanDerWaalsContact CA-CE2 3.48Å; G1092-W1110 WeakPolarHBondContact O-CZ2 3.39Å
1093	I	89.4	Confident	89.5	Confident	4 Å²	4	23.3 Å²	23.3	2%	0.021	14%	0.144	C	C	.	.			trans	-87.5	121.6	177	-63.1	170.7	0	0	0	109.4	R744 F747 A748 N1088 H1091	R744-I1093 HydrophobicContact CB-CD1 4.04Å; R744-I1093 HydrophobicContact CB-CG1 4.12Å; R744-I1093 HydrophobicContact CG-CG1 4.46Å; R744-I1093 VanDerWaalsContact O-CD1 3.24Å; R744-I1093 WeakPolarHBondContact O-CD1 3.41Å; F747-I1093 HydrophobicContact CB-CD1 4.26Å; A748-I1093 HydrophobicContact CB-CG2 3.76Å; N1088-I1093 HydrophobicContact CB-CB 3.94Å; N1088-I1093 HydrophobicContact CB-CG2 4.2Å; N1088-I1093 PolarHBondContact O-N 3.08Å; N1088-I1093 WeakPolarHBondContact OD1-CD1 3.42Å; H1091-I1093 HydrophobicContact CB-CD1 4.19Å; H1091-I1093 HydrophobicContact CB-CG1 4.23Å
1094	S	87.8	Confident	89.2	Confident	44 Å²	44	25.1 Å²	25.1	31%	0.308	16%	0.156	S	C	.	.			trans	-78.1	131.9	176.7	-163.2	0	0	0	0	112.6	K803 P1099 A1100	K803-S1094 WeakPolarHBondContact CE-O 3.14Å; K803-S1094 PolarHBondContact NZ-O 3.13Å; K803-S1094 VanDerWaalsContact NZ-O 3.14Å; S1094-P1099 WeakPolarHBondContact OG-CA 3.33Å; S1094-A1100 PolarHBondContact OG-N 3.22Å
1095	T	89.2	Confident	89	Confident	10 Å²	10	34 Å²	34	6%	0.061	19%	0.191	C	C	.	.			trans	-121.5	171.5	168.9	73.4	0	0	0	0	110.7	D801 N1088 F1098	D801-T1095 VanDerWaalsContact CG-CB 3.47Å; D801-T1095 VanDerWaalsContact OD1-CB 3.24Å; D801-T1095 WeakPolarHBondContact OD1-CB 3.43Å; D801-T1095 PolarHBondContact OD1-OG1 2.67Å; D801-T1095 WeakPolarHBondContact OD2-CB 3.25Å; D801-T1095 PolarHBondContact OD2-OG1 2.69Å; N1088-T1095 HydrophobicContact CB-CG2 4.33Å; T1095-F1098 PolarHBondContact N-O 3.15Å; T1095-F1098 VanDerWaalsContact N-O 3.14Å; T1095-F1098 CarbonylContact O-C 3.55Å; T1095-F1098 PolarHBondContact O-N 3.21Å; T1095-F1098 WeakPolarHBondContact OG1-CB 3.39Å; T1095-F1098 PolarHBondContact OG1-N 3.26Å; T1095-F1098 VanDerWaalsContact OG1-N 3.09Å
1096	P	87.1	Confident	88.8	Confident	50 Å²	50	35.1 Å²	35.1	33%	0.325	20%	0.199	S	C	.	.	S	Bend	trans	-55.7	-46.2	173.5	-28.7	35.3	0	0	0	115.2	D801 I802	D801-P1096 WeakPolarHBondContact OD1-CD 3.48Å; I802-P1096 WeakPolarHBondContact O-CG 3.49Å
1097	H	87.9	Confident	88.3	Confident	53 Å²	53	45.7 Å²	45.7	25%	0.245	24%	0.239	C	C	.	.	S	Bend	trans	-75.4	-30.7	176.5	-74.6	138.1	0	0	0	112.8	E798 D801 K1080 P1099	E798-H1097 PolarHBondContact O-CE1 2.86Å; E798-H1097 PolarHBondContact O-NE2 3.26Å; D801-H1097 WeakPolarHBondContact OD1-CB 2.84Å; D801-H1097 IonicContact OD1-CG 2.95Å; D801-H1097 PolarHBondContact OD1-N 2.63Å; D801-H1097 IonicContact OD1-ND1 3.9Å; K1080-H1097 PolarHBondContact NZ-NE2 3.03Å; H1097-P1099 WeakPolarHBondContact O-CD 3.44Å
1098	F	88.7	Confident	88	Confident	3 Å²	3	52.4 Å²	52.4	1%	0.013	26%	0.264	C	S	.	.	S	Bend	trans	-116.3	67.5	-177.6	-57.4	-89.4	0	0	0	110.4	L1077 T1085 I1089 T1095 W1103	L1077-F1098 HydrophobicContact CD1-CE1 3.75Å; L1077-F1098 HydrophobicContact CD1-CZ 3.93Å; L1077-F1098 HydrophobicContact CD2-CE1 3.96Å; L1077-F1098 HydrophobicContact CD2-CZ 4.01Å; T1085-F1098 HydrophobicContact CG2-CD2 3.48Å; T1085-F1098 VanDerWaalsContact CG2-CD2 3.48Å; T1085-F1098 HydrophobicContact CG2-CE1 4.26Å; T1085-F1098 HydrophobicContact CG2-CE2 3.15Å; T1085-F1098 HydrophobicContact CG2-CG 4.21Å; T1085-F1098 HydrophobicContact CG2-CZ 3.59Å; I1089-F1098 HydrophobicContact CD1-CD1 3.44Å; I1089-F1098 VanDerWaalsContact CD1-CD1 3.44Å; I1089-F1098 HydrophobicContact CD1-CE1 3.74Å; I1089-F1098 HydrophobicContact CD1-CG 4.02Å; I1089-F1098 HydrophobicContact CG1-CB 4.22Å; I1089-F1098 HydrophobicContact CG1-CD1 3.92Å; I1089-F1098 HydrophobicContact CG1-CG 4.12Å; T1095-F1098 PolarHBondContact N-O 3.15Å; T1095-F1098 VanDerWaalsContact N-O 3.14Å; T1095-F1098 CarbonylContact O-C 3.55Å; T1095-F1098 PolarHBondContact O-N 3.21Å; T1095-F1098 WeakPolarHBondContact OG1-CB 3.39Å; T1095-F1098 PolarHBondContact OG1-N 3.26Å; T1095-F1098 VanDerWaalsContact OG1-N 3.09Å; F1098-W1103 HydrophobicContact CD1-CD2 4.09Å; F1098-W1103 AromaticContact CD1-CE2 3.46Å; F1098-W1103 VanDerWaalsContact CD1-CE2 3.46Å; F1098-W1103 HydrophobicContact CD1-CH2 4.3Å; F1098-W1103 AromaticContact CD1-CZ2 3.58Å; F1098-W1103 HydrophobicContact CD1-CZ2 3.58Å; F1098-W1103 AromaticContact CD1-NE1 3.53Å; F1098-W1103 HydrophobicContact CE1-CH2 4.22Å; F1098-W1103 AromaticContact CE1-CZ2 3.63Å; F1098-W1103 HydrophobicContact CE1-CZ2 3.63Å
1099	P	87.9	Confident	87.9	Confident	37 Å²	37	52.5 Å²	52.5	24%	0.24	26%	0.264	C	S	.	.			trans	-72.7	132.2	-177.5	30.2	-35.8	0	0	0	110.8	S1094 H1097 T1101 T1102 W1103	S1094-P1099 WeakPolarHBondContact OG-CA 3.33Å; H1097-P1099 WeakPolarHBondContact O-CD 3.44Å; P1099-T1101 PolarHBondContact O-N 3.2Å; P1099-T1102 PolarHBondContact O-N 3.26Å; P1099-W1103 PolarHBondContact O-N 2.94Å
1100	A	85.4	Confident	87.8	Confident	31 Å²	31	53.5 Å²	53.5	26%	0.256	27%	0.268	S	S	.	.	H	α-helix	trans	-57.5	-25.1	179.2	0	0	0	0	0	113.5	S1094 T1102 S1104 W1110	S1094-A1100 PolarHBondContact OG-N 3.22Å; A1100-T1102 PolarHBondContact O-N 3.31Å; A1100-S1104 WeakPolarHBondContact O-CB 3.23Å; A1100-S1104 PolarHBondContact O-N 2.96Å; A1100-S1104 PolarHBondContact O-OG 3.49Å; A1100-W1110 HydrophobicContact CB-CH2 3.76Å; A1100-W1110 HydrophobicContact CB-CZ2 3.49Å; A1100-W1110 VanDerWaalsContact CB-CZ2 3.49Å
1101	T	85.4	Confident	87.6	Confident	116 Å²	116	57.2 Å²	57.2	71%	0.712	29%	0.285	S	S	*	.	H	α-helix	trans	-65.5	-18.1	174.6	52	0	0	0	0	114	P1099 Y1105	P1099-T1101 PolarHBondContact O-N 3.2Å; T1101-Y1105 WeakPolarHBondContact O-CE2 3.4Å
1102	T	85.4	Confident	87.4	Confident	90 Å²	90	59 Å²	59	55%	0.552	30%	0.295	S	S	*	.	H	α-helix	trans	-108.4	-47.9	175.7	-52.4	0	0	0	0	110	P1099 A1100	P1099-T1102 PolarHBondContact O-N 3.26Å; A1100-T1102 PolarHBondContact O-N 3.31Å
1103	W	87	Confident	87.4	Confident	27 Å²	27	59.4 Å²	59.4	10%	0.102	29%	0.294	C	S	.	.	H	α-helix	trans	-81	-20	-170.6	-73.3	89.6	0	0	0	114.8	F1069 Y1073 I1089 F1098 P1099 Y1105 C1106 W1110	F1069-W1103 HydrophobicContact CE2-CH2 4.19Å; F1069-W1103 AromaticContact CE2-CZ3 3.9Å; F1069-W1103 HydrophobicContact CE2-CZ3 3.9Å; F1069-W1103 HydrophobicContact CZ-CH2 4.39Å; F1069-W1103 HydrophobicContact CZ-CZ3 4.49Å; Y1073-W1103 HydrophobicContact CD1-CH2 4.05Å; Y1073-W1103 HydrophobicContact CD2-CH2 4.23Å; Y1073-W1103 HydrophobicContact CD2-CZ3 4.37Å; Y1073-W1103 AromaticContact CE1-CH2 3.9Å; Y1073-W1103 HydrophobicContact CE1-CH2 3.9Å; Y1073-W1103 HydrophobicContact CE1-CZ3 4.31Å; Y1073-W1103 HydrophobicContact CE2-CH2 4.07Å; Y1073-W1103 AromaticContact CE2-CZ3 3.88Å; Y1073-W1103 HydrophobicContact CE2-CZ3 3.88Å; Y1073-W1103 HydrophobicContact CG-CH2 4.21Å; Y1073-W1103 AromaticContact CZ-CH2 3.91Å; Y1073-W1103 AromaticContact CZ-CZ3 3.85Å; I1089-W1103 HydrophobicContact CG2-CE3 4.36Å; F1098-W1103 HydrophobicContact CD1-CD2 4.09Å; F1098-W1103 AromaticContact CD1-CE2 3.46Å; F1098-W1103 VanDerWaalsContact CD1-CE2 3.46Å; F1098-W1103 HydrophobicContact CD1-CH2 4.3Å; F1098-W1103 AromaticContact CD1-CZ2 3.58Å; F1098-W1103 HydrophobicContact CD1-CZ2 3.58Å; F1098-W1103 AromaticContact CD1-NE1 3.53Å; F1098-W1103 HydrophobicContact CE1-CH2 4.22Å; F1098-W1103 AromaticContact CE1-CZ2 3.63Å; F1098-W1103 HydrophobicContact CE1-CZ2 3.63Å; P1099-W1103 PolarHBondContact O-N 2.94Å; W1103-Y1105 PolarHBondContact O-N 3.03Å; W1103-C1106 HydrophobicContact CE3-CB 4.27Å; W1103-C1106 WeakPolarHBondContact O-CB 3.5Å; W1103-C1106 PolarHBondContact O-N 3.4Å; W1103-W1110 HydrophobicContact CB-CD2 4.27Å; W1103-W1110 HydrophobicContact CB-CE3 3.51Å; W1103-W1110 HydrophobicContact CB-CH2 4.49Å; W1103-W1110 HydrophobicContact CB-CZ3 3.65Å; W1103-W1110 WeakPolarHBondContact O-CB 3.35Å
1104	S	83.3	Confident	87.3	Confident	44 Å²	44	59.3 Å²	59.3	31%	0.308	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-20.6	175.9	66.1	0	0	0	0	114.3	A1100 C1106	A1100-S1104 WeakPolarHBondContact O-CB 3.23Å; A1100-S1104 PolarHBondContact O-N 2.96Å; A1100-S1104 PolarHBondContact O-OG 3.49Å; S1104-C1106 VanDerWaalsContact C-N 3.31Å
1105	Y	86	Confident	87.3	Confident	191 Å²	191	59.3 Å²	59.3	75%	0.749	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-21.1	170.9	-62.2	-66.1	0	0	0	112.7	T1101 W1103 R1107	T1101-Y1105 WeakPolarHBondContact O-CE2 3.4Å; W1103-Y1105 PolarHBondContact O-N 3.03Å; Y1105-R1107 PolarHBondContact O-N 3.31Å
1106	C	86.3	Confident	87.3	Confident	28 Å²	28	58.8 Å²	58.8	19%	0.189	29%	0.288	C	S	.	.			trans	-83.7	64.9	178.7	-161.5	0	0	0	0	111.6	Y1073 W1103 S1104 R1108 F1109 W1110	Y1073-C1106 PolarHBondContact OH-SG 3.08Å; W1103-C1106 HydrophobicContact CE3-CB 4.27Å; W1103-C1106 WeakPolarHBondContact O-CB 3.5Å; W1103-C1106 PolarHBondContact O-N 3.4Å; S1104-C1106 VanDerWaalsContact C-N 3.31Å; C1106-R1108 PolarHBondContact O-N 3.39Å; C1106-F1109 PolarHBondContact O-N 2.85Å; C1106-W1110 WeakPolarHBondContact O-CB 3.27Å; C1106-W1110 PolarHBondContact O-N 3.26Å
1107	R	83.4	Confident	87.4	Confident	221 Å²	221	56.6 Å²	56.6	83%	0.834	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-11.6	-179.2	-65.5	-175	176	-165.3	-3.3	115.4	Y1105 F1109	Y1105-R1107 PolarHBondContact O-N 3.31Å; R1107-F1109 VanDerWaalsContact C-N 3.31Å
1108	R	87.6	Confident	87.6	Confident	141 Å²	141	54.1 Å²	54.1	53%	0.532	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-23.7	173.4	-176.6	174	176.4	180	-2.8	112.9	N1068 I1072 C1106	N1068-R1108 PolarHBondContact OD1-NH2 2.98Å; I1072-R1108 VanDerWaalsContact CD1-NH1 3.27Å; C1106-R1108 PolarHBondContact O-N 3.39Å
1109	F	90.8	Very high	87.8	Confident	3 Å²	3	58.3 Å²	58.3	1%	0.013	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.4	-17.8	-174.6	-59.6	-68.2	0	0	0	114.3	T1065 N1068 F1069 I1072 Y1073 I1089 F1090 C1106 R1107	T1065-F1109 HydrophobicContact CG2-CD1 3.99Å; T1065-F1109 HydrophobicContact CG2-CE1 4.1Å; N1068-F1109 HydrophobicContact CB-CE1 4.36Å; N1068-F1109 HydrophobicContact CB-CZ 4.45Å; F1069-F1109 HydrophobicContact CB-CD1 4.06Å; F1069-F1109 HydrophobicContact CB-CE1 3.75Å; F1069-F1109 HydrophobicContact CB-CZ 4.17Å; F1069-F1109 HydrophobicContact CD2-CB 4.28Å; F1069-F1109 HydrophobicContact CD2-CD1 4.01Å; F1069-F1109 HydrophobicContact CD2-CD2 4.06Å; F1069-F1109 HydrophobicContact CD2-CE1 4.31Å; F1069-F1109 HydrophobicContact CD2-CE2 4.36Å; F1069-F1109 AromaticContact CD2-CG 3.87Å; F1069-F1109 HydrophobicContact CD2-CG 3.87Å; F1069-F1109 HydrophobicContact CD2-CZ 4.48Å; I1072-F1109 HydrophobicContact CD1-CE2 4.38Å; I1072-F1109 HydrophobicContact CD1-CZ 4.19Å; Y1073-F1109 HydrophobicContact CD2-CE2 4.47Å; Y1073-F1109 AromaticContact CE2-CD2 3.87Å; Y1073-F1109 HydrophobicContact CE2-CD2 3.87Å; Y1073-F1109 AromaticContact CE2-CE2 3.75Å; Y1073-F1109 HydrophobicContact CE2-CE2 3.75Å; I1089-F1109 HydrophobicContact CG2-CB 4.13Å; F1090-F1109 WeakPolarHBondContact CA-O 3.41Å; F1090-F1109 WeakPolarHBondContact CD1-O 3.24Å; F1090-F1109 HydrophobicContact CE1-CB 4.32Å; F1090-F1109 HydrophobicContact CE1-CD1 4.02Å; C1106-F1109 PolarHBondContact O-N 2.85Å; R1107-F1109 VanDerWaalsContact C-N 3.31Å
1110	W	90.3	Very high	87.9	Confident	22 Å²	22	58.4 Å²	58.4	8%	0.083	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	125.1	-177.9	-172.9	-89.3	0	0	0	112.4	I1089 G1092 A1100 W1103 C1106	I1089-W1110 HydrophobicContact CG2-CE3 4.33Å; I1089-W1110 WeakPolarHBondContact O-CA 3.36Å; G1092-W1110 VanDerWaalsContact CA-CE2 3.48Å; G1092-W1110 WeakPolarHBondContact O-CZ2 3.39Å; A1100-W1110 HydrophobicContact CB-CH2 3.76Å; A1100-W1110 HydrophobicContact CB-CZ2 3.49Å; A1100-W1110 VanDerWaalsContact CB-CZ2 3.49Å; W1103-W1110 HydrophobicContact CB-CD2 4.27Å; W1103-W1110 HydrophobicContact CB-CE3 3.51Å; W1103-W1110 HydrophobicContact CB-CH2 4.49Å; W1103-W1110 HydrophobicContact CB-CZ3 3.65Å; W1103-W1110 WeakPolarHBondContact O-CB 3.35Å; C1106-W1110 WeakPolarHBondContact O-CB 3.27Å; C1106-W1110 PolarHBondContact O-N 3.26Å
1111	K	88.9	Confident	88.3	Confident	78 Å²	78	57 Å²	57	34%	0.339	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	49	-169	-63.5	-179.2	175.8	-178.2	0	112.4	F1090 L1114	F1090-K1111 CarbonylContact O-C 3.47Å; F1090-K1111 WeakPolarHBondContact O-CA 3.27Å; F1090-K1111 PolarHBondContact O-N 3.12Å; K1111-L1114 HydrophobicContact CB-CD1 4.04Å; K1111-L1114 HydrophobicContact CG-CD1 4.46Å
1112	V	87.6	Confident	88.8	Confident	36 Å²	36	53 Å²	53	22%	0.218	24%	0.238	C	C	.	.			trans	-118.6	149.8	176.5	-175.8	0	0	0	0	108.6	F1090 L1114	F1090-V1112 CarbonylContact C-O 3.6Å; F1090-V1112 VanDerWaalsContact C-O 3.29Å; F1090-V1112 WeakPolarHBondContact CB-O 2.97Å; F1090-V1112 PolarHBondContact O-N 3.25Å; V1112-L1114 VanDerWaalsContact C-N 3.27Å; V1112-L1114 PolarHBondContact O-N 3.17Å
1113	H	90	Very high	89.1	Confident	18 Å²	18	55.1 Å²	55.1	8%	0.083	24%	0.24	C	C	.	.			trans	58.5	33.4	-173.9	-60.5	-58	0	0	0	114	V1062 T1065 F1090 D1115 I1116 I1121	V1062-H1113 HydrophobicContact CG2-CB 4.21Å; T1065-H1113 WeakPolarHBondContact CB-NE2 3.39Å; T1065-H1113 PolarHBondContact OG1-NE2 2.98Å; F1090-H1113 AromaticContact CD2-CD2 3.92Å; H1113-D1115 VanDerWaalsContact CA-OD1 3.29Å; H1113-D1115 WeakPolarHBondContact CA-OD1 3.33Å; H1113-D1115 PolarHBondContact O-N 3.03Å; H1113-I1116 HydrophobicContact CB-CD1 4.45Å; H1113-I1116 PolarHBondContact O-N 3.24Å; H1113-I1121 HydrophobicContact CB-CD1 3.9Å; H1113-I1121 VanDerWaalsContact O-CD1 3.24Å; H1113-I1121 WeakPolarHBondContact O-CD1 3.35Å
1114	L	87.6	Confident	89.5	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.016	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-15	172.2	-81.8	169.5	0	0	0	112.2	P736 H737 N740 Y741 H1091 K1111 V1112 I1116	P736-L1114 CarbonylContact C-O 3.59Å; H737-L1114 WeakPolarHBondContact CA-O 3.42Å; H737-L1114 VanDerWaalsContact CD2-CB 3.44Å; H737-L1114 WeakPolarHBondContact CD2-CB 3.28Å; N740-L1114 HydrophobicContact CB-CD2 4.12Å; N740-L1114 WeakPolarHBondContact CB-O 3.43Å; N740-L1114 PolarHBondContact ND2-O 3.11Å; Y741-L1114 HydrophobicContact CD2-CD1 4.24Å; H1091-L1114 HydrophobicContact CB-CD2 4.19Å; K1111-L1114 HydrophobicContact CB-CD1 4.04Å; K1111-L1114 HydrophobicContact CG-CD1 4.46Å; V1112-L1114 VanDerWaalsContact C-N 3.27Å; V1112-L1114 PolarHBondContact O-N 3.17Å; L1114-I1116 PolarHBondContact O-N 3.19Å
1115	D	86.7	Confident	90	Very high	43 Å²	43	52.1 Å²	52.1	23%	0.23	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	2.5	170.8	61.9	-62.5	0	0	0	114.3	P736 Q1058 H1113	P736-D1115 VanDerWaalsContact CB-O 3.24Å; P736-D1115 WeakPolarHBondContact CB-O 3.5Å; P736-D1115 HydrophobicContact CG-CB 4Å; P736-D1115 WeakPolarHBondContact CG-O 3.43Å; Q1058-D1115 PolarHBondContact NE2-OD2 3.48Å; H1113-D1115 VanDerWaalsContact CA-OD1 3.29Å; H1113-D1115 WeakPolarHBondContact CA-OD1 3.33Å; H1113-D1115 PolarHBondContact O-N 3.03Å
1116	I	89.6	Confident	90.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	-133.6	132.7	-176	-58.3	167.8	0	0	0	109.6	N740 V1054 Q1058 V1062 H1091 H1113 L1114 W1118 T1120 I1121	N740-I1116 VanDerWaalsContact ND2-C 3.26Å; N740-I1116 PolarHBondContact ND2-O 3.48Å; V1054-I1116 HydrophobicContact CG1-CD1 4.34Å; V1054-I1116 HydrophobicContact CG1-CG1 4.18Å; V1054-I1116 HydrophobicContact CG1-CG2 4.22Å; V1054-I1116 HydrophobicContact CG2-CG2 4.12Å; Q1058-I1116 HydrophobicContact CB-CD1 3.86Å; Q1058-I1116 HydrophobicContact CB-CG1 4.45Å; Q1058-I1116 HydrophobicContact CG-CD1 4.4Å; V1062-I1116 HydrophobicContact CG2-CD1 3.25Å; H1091-I1116 PolarHBondContact CE1-O 2.8Å; H1091-I1116 PolarHBondContact NE2-O 2.82Å; H1113-I1116 HydrophobicContact CB-CD1 4.45Å; H1113-I1116 PolarHBondContact O-N 3.24Å; L1114-I1116 PolarHBondContact O-N 3.19Å; I1116-W1118 PolarHBondContact O-N 2.98Å; I1116-T1120 HydrophobicContact CG2-CG2 3.94Å; I1116-I1121 HydrophobicContact CB-CD1 4.24Å; I1116-I1121 HydrophobicContact CB-CG1 3.98Å; I1116-I1121 HydrophobicContact CG2-CD1 4.49Å; I1116-I1121 HydrophobicContact CG2-CG1 3.71Å
1117	D	89.7	Confident	90.6	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.021	22%	0.215	C	C	.	.			trans	-58.6	137.7	179.5	-172.5	108.8	0	0	0	111.5	N740 R743 W1050 P1051 R1119 T1120 I1121	N740-D1117 PolarHBondContact ND2-N 2.88Å; N740-D1117 WeakPolarHBondContact OD1-CA 3.45Å; R743-D1117 IonicContact CZ-OD1 2.58Å; R743-D1117 IonicContact NE-OD1 3.24Å; R743-D1117 PolarHBondContact NE-OD1 3.46Å; R743-D1117 IonicContact NH2-OD1 3.04Å; R743-D1117 PolarHBondContact NH2-OD1 3.09Å; W1050-D1117 HydrophobicContact CZ2-CB 4.03Å; W1050-D1117 PolarHBondContact NE1-OD1 3.07Å; P1051-D1117 HydrophobicContact CB-CB 4.13Å; D1117-R1119 PolarHBondContact O-N 3.42Å; D1117-R1119 WeakPolarHBondContact OD2-CB 3.19Å; D1117-R1119 PolarHBondContact OD2-N 3.37Å; D1117-T1120 WeakPolarHBondContact O-CA 3.35Å; D1117-T1120 WeakPolarHBondContact O-CB 3.39Å; D1117-T1120 PolarHBondContact O-N 3.24Å; D1117-I1121 PolarHBondContact O-N 3.26Å
1118	W	92.5	Very high	91	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-51.8	-38.9	-178	-175.1	91.8	0	0	0	113.1	F747 H750 R1084 A1087 N1088 H1091 I1116 T1120 I1121 K1122	F747-W1118 HydrophobicContact CB-CD2 3.57Å; F747-W1118 HydrophobicContact CB-CE3 3.8Å; F747-W1118 HydrophobicContact CB-CG 3.98Å; F747-W1118 HydrophobicContact CB-CH2 4.35Å; F747-W1118 HydrophobicContact CB-CZ2 4.14Å; F747-W1118 HydrophobicContact CB-CZ3 4.18Å; F747-W1118 HydrophobicContact CD1-CD2 4.29Å; F747-W1118 AromaticContact CD1-CE3 3.76Å; F747-W1118 HydrophobicContact CD1-CE3 3.76Å; F747-W1118 HydrophobicContact CD1-CZ3 4.18Å; F747-W1118 HydrophobicContact CD2-CB 3.37Å; F747-W1118 AromaticContact CD2-CD2 3.81Å; F747-W1118 HydrophobicContact CD2-CD2 3.81Å; F747-W1118 HydrophobicContact CD2-CE3 4.03Å; F747-W1118 AromaticContact CD2-CG 3.52Å; F747-W1118 HydrophobicContact CD2-CG 3.52Å; F747-W1118 HydrophobicContact CE1-CE3 4.36Å; F747-W1118 HydrophobicContact CE2-CB 3.6Å; F747-W1118 HydrophobicContact CE2-CG 4.24Å; F747-W1118 HydrophobicContact CG-CB 4.14Å; F747-W1118 AromaticContact CG-CD2 3.62Å; F747-W1118 HydrophobicContact CG-CD2 3.62Å; F747-W1118 AromaticContact CG-CE3 3.58Å; F747-W1118 HydrophobicContact CG-CE3 3.58Å; F747-W1118 AromaticContact CG-CG 3.87Å; F747-W1118 HydrophobicContact CG-CG 3.87Å; F747-W1118 HydrophobicContact CG-CZ3 4.24Å; H750-W1118 HydrophobicContact CB-CH2 3.79Å; H750-W1118 HydrophobicContact CB-CZ2 4.46Å; H750-W1118 HydrophobicContact CB-CZ3 4.26Å; H750-W1118 AromaticContact CD2-CH2 3.44Å; H750-W1118 VanDerWaalsContact CD2-CH2 3.44Å; H750-W1118 WeakPolarHBondContact CD2-CH2 3.47Å; H750-W1118 AromaticContact CD2-CZ3 3.93Å; H750-W1118 AromaticContact CG-CH2 3.53Å; H750-W1118 AromaticContact CG-CZ3 3.81Å; R1084-W1118 HydrophobicContact CG-CH2 4.29Å; R1084-W1118 HydrophobicContact CG-CZ2 4.13Å; A1087-W1118 HydrophobicContact CB-CD2 4.29Å; A1087-W1118 HydrophobicContact CB-CG 4.32Å; A1087-W1118 HydrophobicContact CB-CZ2 4.25Å; N1088-W1118 WeakPolarHBondContact OD1-CZ2 3.37Å; N1088-W1118 PolarHBondContact OD1-NE1 2.88Å; H1091-W1118 PolarHBondContact CE1-N 3.24Å; H1091-W1118 AromaticContact CG-CD1 3.95Å; H1091-W1118 AromaticContact ND1-CD1 3.82Å; I1116-W1118 PolarHBondContact O-N 2.98Å; W1118-T1120 VanDerWaalsContact C-N 3.3Å; W1118-T1120 PolarHBondContact O-N 2.88Å; W1118-I1121 PolarHBondContact O-N 2.98Å; W1118-K1122 HydrophobicContact CE3-CD 4.47Å; W1118-K1122 HydrophobicContact CH2-CD 3.67Å; W1118-K1122 HydrophobicContact CZ3-CB 4.46Å; W1118-K1122 HydrophobicContact CZ3-CD 3.64Å; W1118-K1122 VanDerWaalsContact O-CB 3.29Å; W1118-K1122 WeakPolarHBondContact O-CB 3.49Å; W1118-K1122 PolarHBondContact O-N 2.88Å
1119	R	91.5	Very high	91.1	Very high	91 Å²	91	32.7 Å²	32.7	34%	0.343	16%	0.155	S	C	.	.	H	α-helix	trans	-64.2	-35.8	178.1	-67.6	-177.4	167.9	-172.3	-4.1	111.1	F747 E966 E967 D1117 K1123	F747-R1119 HydrophobicContact CE1-CG 4.18Å; F747-R1119 HydrophobicContact CZ-CG 4.33Å; E966-R1119 IonicContact OE2-CZ 2.69Å; E966-R1119 IonicContact OE2-NE 2.72Å; E966-R1119 IonicContact OE2-NH2 3.82Å; E966-R1119 PolarHBondContact OE2-NH2 2.94Å; E967-R1119 IonicContact OE1-NH1 2.68Å; D1117-R1119 PolarHBondContact O-N 3.42Å; D1117-R1119 WeakPolarHBondContact OD2-CB 3.19Å; D1117-R1119 PolarHBondContact OD2-N 3.37Å; R1119-K1123 PolarHBondContact O-N 3.16Å; R1119-K1123 VanDerWaalsContact O-N 3.08Å
1120	T	91.9	Very high	91	Very high	40 Å²	40	38 Å²	38	25%	0.245	18%	0.183	C	C	.	.	H	α-helix	trans	-72.9	-45.1	175.8	-58.2	0	0	0	0	111.8	V1054 I1116 D1117 W1118 K1122 K1123 I1124	V1054-T1120 HydrophobicContact CG2-CG2 4.22Å; I1116-T1120 HydrophobicContact CG2-CG2 3.94Å; D1117-T1120 WeakPolarHBondContact O-CA 3.35Å; D1117-T1120 WeakPolarHBondContact O-CB 3.39Å; D1117-T1120 PolarHBondContact O-N 3.24Å; W1118-T1120 VanDerWaalsContact C-N 3.3Å; W1118-T1120 PolarHBondContact O-N 2.88Å; T1120-K1122 VanDerWaalsContact C-N 3.31Å; T1120-K1122 PolarHBondContact O-N 3.34Å; T1120-K1123 WeakPolarHBondContact O-CB 3.49Å; T1120-K1123 PolarHBondContact O-N 2.83Å; T1120-K1123 VanDerWaalsContact O-N 3.14Å; T1120-I1124 HydrophobicContact CG2-CD1 3.92Å; T1120-I1124 HydrophobicContact CG2-CG1 4.49Å; T1120-I1124 WeakPolarHBondContact O-CG1 3.47Å; T1120-I1124 PolarHBondContact O-N 2.88Å
1121	I	93.7	Very high	91	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.9	-45.3	174.7	-59.2	177.2	0	0	0	110.6	V1062 A1087 F1090 H1091 H1113 I1116 D1117 W1118 K1123 I1124 A1125	V1062-I1121 HydrophobicContact CG1-CG2 4.28Å; A1087-I1121 HydrophobicContact CB-CB 4.23Å; A1087-I1121 HydrophobicContact CB-CG2 3.98Å; F1090-I1121 HydrophobicContact CB-CG2 4.48Å; F1090-I1121 HydrophobicContact CD2-CG2 3.77Å; H1091-I1121 VanDerWaalsContact CD2-CD1 3.5Å; H1091-I1121 WeakPolarHBondContact CD2-CD1 3.45Å; H1091-I1121 VanDerWaalsContact NE2-CD1 3.32Å; H1091-I1121 WeakPolarHBondContact NE2-CD1 3.33Å; H1113-I1121 HydrophobicContact CB-CD1 3.9Å; H1113-I1121 VanDerWaalsContact O-CD1 3.24Å; H1113-I1121 WeakPolarHBondContact O-CD1 3.35Å; I1116-I1121 HydrophobicContact CB-CD1 4.24Å; I1116-I1121 HydrophobicContact CB-CG1 3.98Å; I1116-I1121 HydrophobicContact CG2-CD1 4.49Å; I1116-I1121 HydrophobicContact CG2-CG1 3.71Å; D1117-I1121 PolarHBondContact O-N 3.26Å; W1118-I1121 PolarHBondContact O-N 2.98Å; I1121-K1123 VanDerWaalsContact C-N 3.32Å; I1121-K1123 PolarHBondContact O-N 2.98Å; I1121-I1124 PolarHBondContact O-N 3.48Å; I1121-A1125 VanDerWaalsContact O-CB 3.22Å; I1121-A1125 WeakPolarHBondContact O-CB 3.31Å; I1121-A1125 PolarHBondContact O-N 3.38Å
1122	K	94.3	Very high	90.8	Very high	32 Å²	32	40.1 Å²	40.1	14%	0.139	20%	0.197	C	C	.	.	H	α-helix	trans	-56.7	-45.1	175.6	175.8	-171	170.5	-164.2	0	111.3	H750 D752 A1087 W1118 T1120 T1126	H750-K1122 PolarHBondContact NE2-NZ 3.02Å; D752-K1122 WeakPolarHBondContact OD1-CE 3.27Å; D752-K1122 IonicContact OD1-NZ 3.34Å; D752-K1122 PolarHBondContact OD1-NZ 2.84Å; D752-K1122 WeakPolarHBondContact OD2-CE 3.4Å; D752-K1122 IonicContact OD2-NZ 3.18Å; A1087-K1122 HydrophobicContact CB-CB 3.95Å; W1118-K1122 HydrophobicContact CE3-CD 4.47Å; W1118-K1122 HydrophobicContact CH2-CD 3.67Å; W1118-K1122 HydrophobicContact CZ3-CB 4.46Å; W1118-K1122 HydrophobicContact CZ3-CD 3.64Å; W1118-K1122 VanDerWaalsContact O-CB 3.29Å; W1118-K1122 WeakPolarHBondContact O-CB 3.49Å; W1118-K1122 PolarHBondContact O-N 2.88Å; T1120-K1122 VanDerWaalsContact C-N 3.31Å; T1120-K1122 PolarHBondContact O-N 3.34Å; K1122-T1126 WeakPolarHBondContact O-CB 3.49Å; K1122-T1126 PolarHBondContact O-N 3.25Å; K1122-T1126 PolarHBondContact O-OG1 3.49Å
1123	K	93.4	Very high	90.5	Very high	136 Å²	136	42.6 Å²	42.6	59%	0.591	21%	0.205	S	C	*	.	H	α-helix	trans	-60.4	-52.9	178.2	-174.2	-176.1	176.7	-175.1	0	111	R1119 T1120 I1121 A1125 T1126 Q1127	R1119-K1123 PolarHBondContact O-N 3.16Å; R1119-K1123 VanDerWaalsContact O-N 3.08Å; T1120-K1123 WeakPolarHBondContact O-CB 3.49Å; T1120-K1123 PolarHBondContact O-N 2.83Å; T1120-K1123 VanDerWaalsContact O-N 3.14Å; I1121-K1123 VanDerWaalsContact C-N 3.32Å; I1121-K1123 PolarHBondContact O-N 2.98Å; K1123-A1125 PolarHBondContact O-N 3.1Å; K1123-T1126 PolarHBondContact O-N 3.24Å; K1123-Q1127 WeakPolarHBondContact O-CG 3.42Å; K1123-Q1127 PolarHBondContact O-N 3.25Å
1124	I	94.2	Very high	90.2	Very high	7 Å²	7	46.1 Å²	46.1	4%	0.036	23%	0.231	C	C	.	.	H	α-helix	trans	-58.5	-50.2	178.6	-62.4	163.8	0	0	0	110.4	I1059 V1062 Q1063 T1120 I1121 T1126 Q1127 E1128	I1059-I1124 HydrophobicContact CB-CD1 4.36Å; I1059-I1124 HydrophobicContact CG1-CD1 4.1Å; I1059-I1124 HydrophobicContact CG2-CD1 4.11Å; I1059-I1124 HydrophobicContact CG2-CG1 4.35Å; V1062-I1124 HydrophobicContact CB-CD1 4.16Å; V1062-I1124 HydrophobicContact CB-CG2 4.24Å; V1062-I1124 HydrophobicContact CG1-CB 4.07Å; V1062-I1124 HydrophobicContact CG1-CD1 4.1Å; V1062-I1124 HydrophobicContact CG1-CG2 3.71Å; V1062-I1124 HydrophobicContact CG2-CD1 4.47Å; Q1063-I1124 HydrophobicContact CG-CG2 3.57Å; T1120-I1124 HydrophobicContact CG2-CD1 3.92Å; T1120-I1124 HydrophobicContact CG2-CG1 4.49Å; T1120-I1124 WeakPolarHBondContact O-CG1 3.47Å; T1120-I1124 PolarHBondContact O-N 2.88Å; I1121-I1124 PolarHBondContact O-N 3.48Å; I1124-T1126 VanDerWaalsContact C-N 3.27Å; I1124-T1126 PolarHBondContact O-N 2.83Å; I1124-Q1127 PolarHBondContact O-N 3.24Å; I1124-Q1127 VanDerWaalsContact O-N 3.14Å; I1124-E1128 HydrophobicContact CG2-CG 4.3Å; I1124-E1128 WeakPolarHBondContact O-CG 3.19Å; I1124-E1128 PolarHBondContact O-N 3.22Å
1125	A	93.8	Very high	89.6	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.1	-31.2	179.8	0	0	0	0	0	113	V1066 I1086 I1121 K1123 L1129	V1066-A1125 HydrophobicContact CG1-CB 4.47Å; V1066-A1125 HydrophobicContact CG2-CB 3.94Å; I1086-A1125 HydrophobicContact CB-CB 4Å; I1086-A1125 HydrophobicContact CD1-CB 4.35Å; I1086-A1125 HydrophobicContact CG2-CB 4.02Å; I1121-A1125 VanDerWaalsContact O-CB 3.22Å; I1121-A1125 WeakPolarHBondContact O-CB 3.31Å; I1121-A1125 PolarHBondContact O-N 3.38Å; K1123-A1125 PolarHBondContact O-N 3.1Å; A1125-L1129 WeakPolarHBondContact O-CB 3.41Å; A1125-L1129 WeakPolarHBondContact O-CD1 3.44Å; A1125-L1129 WeakPolarHBondContact O-CG 3.31Å; A1125-L1129 PolarHBondContact O-N 2.87Å
1126	T	92.6	Very high	88.7	Confident	53 Å²	53	55.3 Å²	55.3	33%	0.325	29%	0.293	S	S	.	.	H	α-helix	trans	-70.7	-42.5	173.5	-54.2	0	0	0	0	111.3	K1122 K1123 I1124 L1129 L1130	K1122-T1126 WeakPolarHBondContact O-CB 3.49Å; K1122-T1126 PolarHBondContact O-N 3.25Å; K1122-T1126 PolarHBondContact O-OG1 3.49Å; K1123-T1126 PolarHBondContact O-N 3.24Å; I1124-T1126 VanDerWaalsContact C-N 3.27Å; I1124-T1126 PolarHBondContact O-N 2.83Å; T1126-L1129 PolarHBondContact O-N 2.82Å; T1126-L1130 HydrophobicContact CG2-CD1 4.22Å; T1126-L1130 VanDerWaalsContact O-CG 3.3Å; T1126-L1130 WeakPolarHBondContact O-CG 3.46Å; T1126-L1130 PolarHBondContact O-N 3.19Å
1127	Q	93.3	Very high	88.6	Confident	99 Å²	99	58.1 Å²	58.1	46%	0.463	31%	0.308	S	S	.	.	H	α-helix	trans	-64.1	-45.3	176.8	-68.2	173.2	-69.8	0	0	111.5	K1123 I1124 L1129 L1130 I1131	K1123-Q1127 WeakPolarHBondContact O-CG 3.42Å; K1123-Q1127 PolarHBondContact O-N 3.25Å; I1124-Q1127 PolarHBondContact O-N 3.24Å; I1124-Q1127 VanDerWaalsContact O-N 3.14Å; Q1127-L1129 PolarHBondContact O-N 3.31Å; Q1127-L1130 PolarHBondContact O-N 3.41Å; Q1127-I1131 WeakPolarHBondContact O-CG1 3.41Å; Q1127-I1131 PolarHBondContact O-N 3.43Å
1128	E	92	Very high	88.6	Confident	11 Å²	11	60.9 Å²	60.9	5%	0.051	32%	0.323	C	S	.	.	H	α-helix	trans	-62.4	-40.4	176.1	-72.4	-64.8	140.7	0	0	113.1	Q1063 V1066 R1067 I1124 I1131 H1132	Q1063-E1128 HydrophobicContact CB-CG 4.18Å; Q1063-E1128 HydrophobicContact CG-CG 3.91Å; Q1063-E1128 WeakPolarHBondContact CG-OE1 3.43Å; Q1063-E1128 PolarHBondContact NE2-OE1 2.95Å; V1066-E1128 HydrophobicContact CB-CB 4.31Å; V1066-E1128 HydrophobicContact CB-CG 4.4Å; V1066-E1128 HydrophobicContact CG1-CB 3.65Å; V1066-E1128 HydrophobicContact CG1-CG 4.26Å; R1067-E1128 WeakPolarHBondContact CG-OE2 3.47Å; R1067-E1128 IonicContact CZ-OE1 3.35Å; R1067-E1128 IonicContact CZ-OE2 3.54Å; R1067-E1128 IonicContact NE-OE1 2.69Å; R1067-E1128 IonicContact NE-OE2 2.82Å; R1067-E1128 PolarHBondContact NE-OE2 3.47Å; R1067-E1128 VanDerWaalsContact NH2-CD 3.29Å; R1067-E1128 IonicContact NH2-OE1 3.45Å; R1067-E1128 PolarHBondContact NH2-OE1 3.47Å; R1067-E1128 IonicContact NH2-OE2 3.8Å; R1067-E1128 PolarHBondContact NH2-OE2 3.38Å; I1124-E1128 HydrophobicContact CG2-CG 4.3Å; I1124-E1128 WeakPolarHBondContact O-CG 3.19Å; I1124-E1128 PolarHBondContact O-N 3.22Å; E1128-I1131 PolarHBondContact O-N 2.95Å; E1128-H1132 WeakPolarHBondContact O-CB 3.24Å; E1128-H1132 PolarHBondContact O-N 3.01Å
1129	L	89.7	Confident	88.3	Confident	10 Å²	10	64.3 Å²	64.3	5%	0.052	34%	0.341	C	S	.	.	H	α-helix	trans	-66.1	-38.5	174.2	-75.8	168	0	0	0	112.2	V1070 I1081 T1082 I1086 A1125 T1126 Q1127 H1132 F1133	V1070-L1129 HydrophobicContact CG2-CD2 3.76Å; I1081-L1129 HydrophobicContact CG2-CD1 4.07Å; I1081-L1129 HydrophobicContact CG2-CD2 3.92Å; T1082-L1129 VanDerWaalsContact C-CD1 3.48Å; I1086-L1129 HydrophobicContact CD1-CD1 3.92Å; I1086-L1129 HydrophobicContact CD1-CD2 4.31Å; I1086-L1129 HydrophobicContact CD1-CG 4.2Å; A1125-L1129 WeakPolarHBondContact O-CB 3.41Å; A1125-L1129 WeakPolarHBondContact O-CD1 3.44Å; A1125-L1129 WeakPolarHBondContact O-CG 3.31Å; A1125-L1129 PolarHBondContact O-N 2.87Å; T1126-L1129 PolarHBondContact O-N 2.82Å; Q1127-L1129 PolarHBondContact O-N 3.31Å; L1129-H1132 PolarHBondContact O-N 3.32Å; L1129-F1133 HydrophobicContact CB-CD2 4.33Å; L1129-F1133 HydrophobicContact CB-CE2 4.2Å; L1129-F1133 HydrophobicContact CD2-CE2 3.96Å; L1129-F1133 HydrophobicContact CD2-CZ 4.25Å; L1129-F1133 WeakPolarHBondContact O-CB 3.36Å; L1129-F1133 WeakPolarHBondContact O-CD2 3.44Å; L1129-F1133 WeakPolarHBondContact O-CG 3.15Å; L1129-F1133 PolarHBondContact O-N 2.92Å
1130	L	88.9	Confident	88.1	Confident	116 Å²	116	62.8 Å²	62.8	61%	0.607	34%	0.34	S	S	*	.	H	α-helix	trans	-65.9	-39.4	175.6	-73.5	169	0	0	0	111.9	T1126 Q1127 S1134	T1126-L1130 HydrophobicContact CG2-CD1 4.22Å; T1126-L1130 VanDerWaalsContact O-CG 3.3Å; T1126-L1130 WeakPolarHBondContact O-CG 3.46Å; T1126-L1130 PolarHBondContact O-N 3.19Å; Q1127-L1130 PolarHBondContact O-N 3.41Å; L1130-S1134 WeakPolarHBondContact O-CB 2.95Å; L1130-S1134 PolarHBondContact O-N 3.19Å; L1130-S1134 VanDerWaalsContact O-N 3.11Å; L1130-S1134 PolarHBondContact O-OG 2.91Å
1131	I	88.9	Confident	87.9	Confident	91 Å²	91	64.2 Å²	64.2	47%	0.467	35%	0.346	S	S	.	.	H	α-helix	trans	-62.1	-51.4	172.4	-67.1	162.9	0	0	0	109.5	Q1127 E1128 F1133 S1134 C1135	Q1127-I1131 WeakPolarHBondContact O-CG1 3.41Å; Q1127-I1131 PolarHBondContact O-N 3.43Å; E1128-I1131 PolarHBondContact O-N 2.95Å; I1131-F1133 PolarHBondContact O-N 3.35Å; I1131-S1134 PolarHBondContact O-N 3.42Å; I1131-S1134 PolarHBondContact O-OG 2.74Å; I1131-C1135 PolarHBondContact O-N 3.3Å; I1131-C1135 PolarHBondContact O-SG 2.64Å; I1131-C1135 VanDerWaalsContact O-SG 3.39Å
1132	H	84.5	Confident	87.5	Confident	53 Å²	53	68.5 Å²	68.5	25%	0.245	37%	0.369	C	S	.	.	H	α-helix	trans	-55.6	-52.9	180	-161.5	-86.8	0	0	0	112	E1074 E1128 L1129 S1134 C1135 T1136	E1074-H1132 IonicContact OE1-CE1 2.79Å; E1074-H1132 PolarHBondContact OE1-CE1 3.09Å; E1074-H1132 VanDerWaalsContact OE1-CE1 3.31Å; E1074-H1132 IonicContact OE1-ND1 3.84Å; E1074-H1132 PolarHBondContact OE1-ND1 3.21Å; E1074-H1132 IonicContact OE2-CE1 2.8Å; E1074-H1132 PolarHBondContact OE2-CE1 2.91Å; E1074-H1132 VanDerWaalsContact OE2-CE1 3.29Å; E1128-H1132 WeakPolarHBondContact O-CB 3.24Å; E1128-H1132 PolarHBondContact O-N 3.01Å; L1129-H1132 PolarHBondContact O-N 3.32Å; H1132-S1134 PolarHBondContact O-N 3.37Å; H1132-S1134 VanDerWaalsContact O-N 3.14Å; H1132-C1135 PolarHBondContact O-N 2.78Å; H1132-T1136 PolarHBondContact O-N 3.3Å; H1132-T1136 VanDerWaalsContact O-N 3.13Å; H1132-T1136 PolarHBondContact O-OG1 2.87Å
1133	F	82.6	Confident	87.1	Confident	87 Å²	87	71.1 Å²	71.1	38%	0.382	39%	0.386	S	S	.	.	H	α-helix	trans	-71.6	-0.4	177.7	-62.4	-46.5	0	0	0	114.8	L1129 I1131	L1129-F1133 HydrophobicContact CB-CD2 4.33Å; L1129-F1133 HydrophobicContact CB-CE2 4.2Å; L1129-F1133 HydrophobicContact CD2-CE2 3.96Å; L1129-F1133 HydrophobicContact CD2-CZ 4.25Å; L1129-F1133 WeakPolarHBondContact O-CB 3.36Å; L1129-F1133 WeakPolarHBondContact O-CD2 3.44Å; L1129-F1133 WeakPolarHBondContact O-CG 3.15Å; L1129-F1133 PolarHBondContact O-N 2.92Å; I1131-F1133 PolarHBondContact O-N 3.35Å
1134	S	82.3	Confident	86.6	Confident	92 Å²	92	66.1 Å²	66.1	64%	0.643	37%	0.37	S	S	*	.	H	α-helix	trans	-99.5	-13	167.3	74.3	0	0	0	0	113.2	L1130 I1131 H1132	L1130-S1134 WeakPolarHBondContact O-CB 2.95Å; L1130-S1134 PolarHBondContact O-N 3.19Å; L1130-S1134 VanDerWaalsContact O-N 3.11Å; L1130-S1134 PolarHBondContact O-OG 2.91Å; I1131-S1134 PolarHBondContact O-N 3.42Å; I1131-S1134 PolarHBondContact O-OG 2.74Å; H1132-S1134 PolarHBondContact O-N 3.37Å; H1132-S1134 VanDerWaalsContact O-N 3.14Å
1135	C	76.1	Confident	85.9	Confident	107 Å²	107	71 Å²	71	72%	0.723	40%	0.398	S	S	*	.	H	α-helix	trans	-102.8	-12.8	176.7	-61.5	0	0	0	0	113.4	I1131 H1132	I1131-C1135 PolarHBondContact O-N 3.3Å; I1131-C1135 PolarHBondContact O-SG 2.64Å; I1131-C1135 VanDerWaalsContact O-SG 3.39Å; H1132-C1135 PolarHBondContact O-N 2.78Å
1136	T	66.4	Low	85.2	Confident	133 Å²	133	77.5 Å²	77.5	82%	0.816	43%	0.434	S	S	*	.			trans	-106.2	0	176.7	61.3	0	0	0	0	112.4	H1132	H1132-T1136 PolarHBondContact O-N 3.3Å; H1132-T1136 VanDerWaalsContact O-N 3.13Å; H1132-T1136 PolarHBondContact O-OG1 2.87Å

Retrieved 1,136 of 1,136 residues in 550.5 ms (Link to these results)

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