A0A5K4F4K7_SCHMA Loading...

Myb-like DNA-binding domain protein

AlphaFold DB , UniProt , Accession A0A5K4F4K7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,320 aa.

						>A0A5K4F4K7_SCHMA|A0A5K4F4K7
MASCGQGCSSSDVVDCVVINKTVQHIIPEIIAAIKDEIKTFNHYLKDLSGDGVVYSYPDRILHKPFLRLSNGEIPPPNSDAILRTQRKEHNLSDVRATSGKKWLKKELISLIKSVSKCVRNRQIQILEDRRELLLKKVSKTCKEQPSSEACLSDSLSCVESRQSLLAELQDCESKLYQTHLMSSTPPKRLISTLASMASNDSGEYVSEDVFWKNYGHKLNSKSSYSQSVRNWYELLSSADSIISLTDWTEISNLESRTRINDVNARLTWIHRLQPNINRSKWSAEEDKRLTKLVEEFGEHGRWEEISKVLNTNRTAFICCQRWQTVLNPNFHMYRPWSTSEDTELIDILKKLLPFYSPGLMDWDIVSAHHSTRSANECRSRAPIICSAFQNINPKVQRVLDPNIGQSINPQVFPAYRPFSLAEDLQLLMAVQRYGIAGGRVGHGGGIGIGSWALVTTALPGRSASSCRKRYLELCEQFQPWTCYEDHNLYHLVLSYGPYAPMGCWRTGPSLQIFTNLLPYFPGRSAHSLQSRFKTLRRWAVLWYNLRKQITGGLEDSFNCNSLSPLEQNILLYSPFATQFVAQLKNAGVPDPETEAYRILTTWKIPKDPVKSPSYTWSHKDWKPNPIDADFMQFLDDLVSGILIQQHIPTNNNTNETSIAPHSNQLNNSDEQGVCNEANETRINSTSEISEQNTAFKQLTFSESKWIIHQTQIKHVIVGPVRRYLTTMAGARVMNSTHQSSSVLMHHRNLTAGHNSVHVTHSRKGNRASLLLRKDHLFWMTLDQVMRDPKVKSTLQQINKISMLRTSAPFIARQMVLRLSHKSFTQTVCQKQKGYKTTYTNLRIRKRGRCKRTLRGRKFDKHSKQNDLETCHDQTQISIAEDISSSKDNLSSLTSTSSMILCTDETITTAEATITSSNNTTTATVNTTTTGVSATTKVIASPNSYNTTTDKNSIELTENKRKLLLQIHSILKAFERKRYNCSNSYALATNIWSRRMKVTEPNVANQERFIPPIMRDLPSNIGIRLFHQPELISKRCLEIARSCLQNGLNLYTDEKESLKKIDVVDQSTVCTTSLDTNDSQLIKPKRVHILPPNYSTILGFKSLLMHLSTLLEKERGKFSQFTELRRLFCAYPGQTITDEEFEQKLREAESTTMFGRPIFNVARTLLSSKYTDFINRSLALLLWPALLATIPAKSFMEDAQRHWQDAYEHSVAKYPEQNDEEIAEIQEDDTIAPVNRPKRKRQRQDYFMKIPNKRLKKNHNYNALLNFIGSRVNWAKRINGTMTFTITSENGELLQITLPNEIRILYSCGFKPDSFLNLRK
					

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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	27.3	Very low	27.7	Very low	249 Å²	249	126.5 Å²	126.5	100%	1.227	84%	0.843	S	S	*	*				0	122.1	0	-61.2	167	174	0	0	107.1
2	A	28.8	Very low	27.6	Very low	103 Å²	103	129.1 Å²	129.1	85%	0.851	84%	0.843	S	S	*	*			cis	-154.1	162.4	-18.2	0	0	0	0	0	106
3	S	31.5	Very low	27.5	Very low	116 Å²	116	128.5 Å²	128.5	81%	0.811	84%	0.835	S	S	*	*			cis	-143.1	172.4	6.7	54.6	0	0	0	0	111
4	C	28.4	Very low	27.6	Very low	130 Å²	130	128 Å²	128	88%	0.878	83%	0.828	S	S	*	*			trans	-69.4	166.8	168.7	-57.2	0	0	0	0	111.6
5	G	28.8	Very low	27.7	Very low	67 Å²	67	130.8 Å²	130.8	69%	0.691	83%	0.833	S	S	*	*			cis	161.7	-158.2	-3.9	0	0	0	0	0	112.3
6	Q	29.6	Very low	27.7	Very low	208 Å²	208	128.6 Å²	128.6	97%	0.972	82%	0.822	S	S	*	*			trans	69.3	140.8	176.4	-58.2	-177	-14.2	0	0	117.5
7	G	25.5	Very low	27.8	Very low	74 Å²	74	129.1 Å²	129.1	76%	0.763	82%	0.822	S	S	*	*			trans	140.8	89.1	168.8	0	0	0	0	0	117.5
8	C	25.2	Very low	27.9	Very low	121 Å²	121	129.2 Å²	129.2	82%	0.818	82%	0.821	S	S	*	*			trans	39.9	94.8	147.9	-55.3	0	0	0	0	122
9	S	27.2	Very low	28	Very low	105 Å²	105	127.4 Å²	127.4	73%	0.734	80%	0.803	S	S	*	*				34.8	133.2	123	59.9	0	0	0	0	123.7
10	S	25.9	Very low	28.1	Very low	109 Å²	109	126.2 Å²	126.2	76%	0.762	79%	0.79	S	S	*	*			trans	95.5	123.8	143.5	76.7	0	0	0	0	120.6
11	S	26.3	Very low	28.5	Very low	110 Å²	110	127.9 Å²	127.9	77%	0.769	79%	0.786	S	S	*	*	S	Bend	trans	61.1	139.4	171.5	47.9	0	0	0	0	119.6
12	D	27	Very low	28.8	Very low	157 Å²	157	120.2 Å²	120.2	84%	0.84	75%	0.754	S	S	*	*			trans	59.2	-177.4	173.4	-65.3	-13.1	0	0	0	117.2
13	V	25.5	Very low	29.1	Very low	121 Å²	121	118.4 Å²	118.4	73%	0.733	73%	0.732	S	S	*	*			trans	66.1	106.1	-161.8	-168.2	0	0	0	0	111.8
14	V	29.6	Very low	29.5	Very low	122 Å²	122	118.1 Å²	118.1	74%	0.739	72%	0.718	S	S	*	*			cis	66.8	53.3	47.9	-161.6	0	0	0	0	112.9	C16	V14-C16 PolarHBondContact O-N 3.12Å; V14-C16 PolarHBondContact O-SG 2.85Å; V14-C16 VanDerWaalsContact O-SG 3.36Å
15	D	29.5	Very low	30.3	Very low	170 Å²	170	118.3 Å²	118.3	91%	0.909	71%	0.705	S	S	*	*			trans	-65.4	126.4	173.7	-103.8	-33.4	0	0	0	112.5
16	C	27.1	Very low	30.8	Very low	96 Å²	96	118.9 Å²	118.9	65%	0.649	69%	0.692	S	S	*	*			trans	-92	144.6	-160.7	-70.8	0	0	0	0	114.1	V14 V18	V14-C16 PolarHBondContact O-N 3.12Å; V14-C16 PolarHBondContact O-SG 2.85Å; V14-C16 VanDerWaalsContact O-SG 3.36Å; C16-V18 HydrophobicContact CB-CG2 4.31Å; C16-V18 PolarHBondContact O-N 3.07Å
17	V	28.7	Very low	31.5	Very low	136 Å²	136	112.6 Å²	112.6	82%	0.824	66%	0.664	S	S	*	*			trans	-81.4	99.6	152.1	178.5	0	0	0	0	107.8	I19	V17-I19 PolarHBondContact O-N 2.86Å
18	V	30.2	Very low	33.1	Very low	132 Å²	132	112.9 Å²	112.9	80%	0.8	65%	0.653	S	S	*	*			trans	-68.9	103.3	179.7	-179.4	0	0	0	0	110.2	C16	C16-V18 HydrophobicContact CB-CG2 4.31Å; C16-V18 PolarHBondContact O-N 3.07Å
19	I	30.2	Very low	34.3	Very low	94 Å²	94	113.5 Å²	113.5	48%	0.482	64%	0.643	S	S	.	*			trans	-74.4	131.8	171.3	-62	177.7	0	0	0	108.9	V17 K21 V23	V17-I19 PolarHBondContact O-N 2.86Å; I19-K21 PolarHBondContact O-N 3.23Å; I19-V23 HydrophobicContact CG2-CB 4.04Å; I19-V23 HydrophobicContact CG2-CG1 4.18Å
20	N	29.7	Very low	35.2	Very low	104 Å²	104	112.9 Å²	112.9	56%	0.556	63%	0.631	S	S	*	*			trans	-50	131.6	-177.1	-172.2	-14.5	0	0	0	112.3	T22 V23	N20-T22 VanDerWaalsContact CG-OG1 3.28Å; N20-T22 PolarHBondContact ND2-OG1 3.37Å; N20-T22 PolarHBondContact O-N 3.12Å; N20-T22 VanDerWaalsContact O-N 3.09Å; N20-T22 PolarHBondContact OD1-N 3.29Å; N20-T22 PolarHBondContact OD1-OG1 3.06Å; N20-V23 HydrophobicContact CB-CG2 4.44Å; N20-V23 WeakPolarHBondContact O-CB 3.5Å; N20-V23 PolarHBondContact O-N 3.38Å
21	K	36.5	Very low	36.4	Very low	161 Å²	161	111.5 Å²	111.5	70%	0.7	61%	0.614	S	S	*	*	H	α-helix	trans	-47.6	-41.5	-179.1	-77.9	-173.5	172.8	-177.6	0	112.6	I19 V23 Q24 H25	I19-K21 PolarHBondContact O-N 3.23Å; K21-V23 PolarHBondContact O-N 3.13Å; K21-Q24 WeakPolarHBondContact O-CB 3.37Å; K21-Q24 PolarHBondContact O-N 2.9Å; K21-H25 PolarHBondContact O-CD2 3.4Å; K21-H25 VanDerWaalsContact O-CD2 3.27Å; K21-H25 PolarHBondContact O-NE2 3.26Å
22	T	32.7	Very low	38.1	Very low	89 Å²	89	108.8 Å²	108.8	55%	0.546	60%	0.598	S	S	.	*	H	α-helix	trans	-58.1	-22.5	179.9	55.6	0	0	0	0	114.5	N20	N20-T22 VanDerWaalsContact CG-OG1 3.28Å; N20-T22 PolarHBondContact ND2-OG1 3.37Å; N20-T22 PolarHBondContact O-N 3.12Å; N20-T22 VanDerWaalsContact O-N 3.09Å; N20-T22 PolarHBondContact OD1-N 3.29Å; N20-T22 PolarHBondContact OD1-OG1 3.06Å
23	V	36.2	Very low	39.1	Very low	65 Å²	65	104.1 Å²	104.1	39%	0.394	58%	0.582	S	S	.	*	H	α-helix	trans	-90.9	-26.5	179	-176.8	0	0	0	0	111.8	I19 N20 K21 H25 I26	I19-V23 HydrophobicContact CG2-CB 4.04Å; I19-V23 HydrophobicContact CG2-CG1 4.18Å; N20-V23 HydrophobicContact CB-CG2 4.44Å; N20-V23 WeakPolarHBondContact O-CB 3.5Å; N20-V23 PolarHBondContact O-N 3.38Å; K21-V23 PolarHBondContact O-N 3.13Å; V23-H25 VanDerWaalsContact C-N 3.27Å; V23-H25 PolarHBondContact O-N 3.18Å; V23-I26 PolarHBondContact O-N 3.21Å; V23-I26 VanDerWaalsContact O-N 3.16Å
24	Q	38.9	Very low	40	Very low	109 Å²	109	102.3 Å²	102.3	51%	0.509	57%	0.567	S	S	.	*	H	α-helix	trans	-62.7	-33.4	-176.5	-67.6	-176.1	-32.2	0	0	112.6	K21 I26 P28	K21-Q24 WeakPolarHBondContact O-CB 3.37Å; K21-Q24 PolarHBondContact O-N 2.9Å; Q24-I26 VanDerWaalsContact C-N 3.28Å; Q24-I26 PolarHBondContact O-N 2.84Å; Q24-P28 VanDerWaalsContact O-CD 3.22Å; Q24-P28 WeakPolarHBondContact O-CD 3.34Å
25	H	45.7	Very low	41.2	Very low	134 Å²	134	102.8 Å²	102.8	62%	0.62	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	-26	178.4	-48.3	-61.3	0	0	0	113.8	K21 V23 P28	K21-H25 PolarHBondContact O-CD2 3.4Å; K21-H25 VanDerWaalsContact O-CD2 3.27Å; K21-H25 PolarHBondContact O-NE2 3.26Å; V23-H25 VanDerWaalsContact C-N 3.27Å; V23-H25 PolarHBondContact O-N 3.18Å; H25-P28 WeakPolarHBondContact O-CD 3.47Å
26	I	40.5	Very low	42.6	Very low	80 Å²	80	98.5 Å²	98.5	41%	0.41	54%	0.536	S	S	.	.	H	α-helix	trans	-88.6	-23.5	-173.1	-46.5	176.3	0	0	0	111.3	V23 Q24 E29 I30	V23-I26 PolarHBondContact O-N 3.21Å; V23-I26 VanDerWaalsContact O-N 3.16Å; Q24-I26 VanDerWaalsContact C-N 3.28Å; Q24-I26 PolarHBondContact O-N 2.84Å; I26-E29 PolarHBondContact O-N 2.93Å; I26-I30 HydrophobicContact CG2-CD1 3.9Å; I26-I30 HydrophobicContact CG2-CG1 4.21Å; I26-I30 WeakPolarHBondContact O-CG1 3.45Å; I26-I30 PolarHBondContact O-N 3.21Å
27	I	44.3	Very low	43.3	Very low	76 Å²	76	97.4 Å²	97.4	39%	0.39	52%	0.522	S	S	.	.	H	α-helix	trans	-60.9	-44.3	-179.1	-66.4	170	0	0	0	112.4	E29 I30 I31	I27-E29 PolarHBondContact O-N 3.34Å; I27-I30 PolarHBondContact O-N 3.21Å; I27-I31 HydrophobicContact CG2-CD1 3.79Å; I27-I31 WeakPolarHBondContact O-CB 3.19Å; I27-I31 VanDerWaalsContact O-CG1 3.29Å; I27-I31 WeakPolarHBondContact O-CG1 3.27Å; I27-I31 PolarHBondContact O-N 3.28Å; I27-I31 VanDerWaalsContact O-N 3.07Å
28	P	57.5	Low	44.2	Very low	80 Å²	80	95.7 Å²	95.7	52%	0.519	51%	0.507	S	S	.	.	H	α-helix	trans	-57.6	-41.6	172.5	-27.1	35.5	0	0	0	114	Q24 H25 I31 A32	Q24-P28 VanDerWaalsContact O-CD 3.22Å; Q24-P28 WeakPolarHBondContact O-CD 3.34Å; H25-P28 WeakPolarHBondContact O-CD 3.47Å; P28-I31 PolarHBondContact O-N 2.94Å; P28-A32 WeakPolarHBondContact O-CB 3.39Å; P28-A32 PolarHBondContact O-N 3.38Å
29	E	52.1	Low	45.5	Very low	133 Å²	133	96 Å²	96	62%	0.621	50%	0.497	S	S	*	.	H	α-helix	trans	-67	-44.2	-179.1	-60.1	-176.8	143.3	0	0	111.6	I26 I27 I31 A32 A33	I26-E29 PolarHBondContact O-N 2.93Å; I27-E29 PolarHBondContact O-N 3.34Å; E29-I31 VanDerWaalsContact C-N 3.29Å; E29-I31 PolarHBondContact O-N 3.48Å; E29-A32 WeakPolarHBondContact O-CB 3.24Å; E29-A32 PolarHBondContact O-N 2.76Å; E29-A32 VanDerWaalsContact O-N 3.11Å; E29-A33 PolarHBondContact O-N 3.03Å
30	I	44.3	Very low	46.3	Very low	93 Å²	93	95 Å²	95	48%	0.477	50%	0.496	S	S	.	.	H	α-helix	trans	-59.3	-42.3	174	-68.1	166.8	0	0	0	110.5	I26 I27 A32 I34	I26-I30 HydrophobicContact CG2-CD1 3.9Å; I26-I30 HydrophobicContact CG2-CG1 4.21Å; I26-I30 WeakPolarHBondContact O-CG1 3.45Å; I26-I30 PolarHBondContact O-N 3.21Å; I27-I30 PolarHBondContact O-N 3.21Å; I30-A32 VanDerWaalsContact C-N 3.33Å; I30-A32 PolarHBondContact O-N 2.96Å; I30-I34 HydrophobicContact CG2-CD1 3.85Å; I30-I34 WeakPolarHBondContact O-CD1 3.46Å; I30-I34 VanDerWaalsContact O-CG1 3.25Å; I30-I34 WeakPolarHBondContact O-CG1 3.48Å; I30-I34 PolarHBondContact O-N 3.03Å; I30-I34 VanDerWaalsContact O-N 3.11Å
31	I	52	Low	46.8	Very low	80 Å²	80	95.6 Å²	95.6	41%	0.41	49%	0.494	S	S	.	.	H	α-helix	trans	-68.4	-31.3	177.1	-69.7	169.2	0	0	0	111.9	I27 P28 E29 K35	I27-I31 HydrophobicContact CG2-CD1 3.79Å; I27-I31 WeakPolarHBondContact O-CB 3.19Å; I27-I31 VanDerWaalsContact O-CG1 3.29Å; I27-I31 WeakPolarHBondContact O-CG1 3.27Å; I27-I31 PolarHBondContact O-N 3.28Å; I27-I31 VanDerWaalsContact O-N 3.07Å; P28-I31 PolarHBondContact O-N 2.94Å; E29-I31 VanDerWaalsContact C-N 3.29Å; E29-I31 PolarHBondContact O-N 3.48Å; I31-K35 HydrophobicContact CG2-CD 4.38Å; I31-K35 WeakPolarHBondContact O-CD 3.35Å; I31-K35 VanDerWaalsContact O-CG 3.26Å; I31-K35 WeakPolarHBondContact O-CG 3.31Å; I31-K35 PolarHBondContact O-N 2.89Å
32	A	62.4	Low	47.3	Very low	53 Å²	53	91.2 Å²	91.2	44%	0.438	48%	0.478	S	S	.	.	H	α-helix	trans	-70.8	-48.3	174.4	0	0	0	0	0	111.6	P28 E29 I30 I34 K35 D36	P28-A32 WeakPolarHBondContact O-CB 3.39Å; P28-A32 PolarHBondContact O-N 3.38Å; E29-A32 WeakPolarHBondContact O-CB 3.24Å; E29-A32 PolarHBondContact O-N 2.76Å; E29-A32 VanDerWaalsContact O-N 3.11Å; I30-A32 VanDerWaalsContact C-N 3.33Å; I30-A32 PolarHBondContact O-N 2.96Å; A32-I34 PolarHBondContact O-N 3.22Å; A32-K35 WeakPolarHBondContact O-CB 3.34Å; A32-K35 PolarHBondContact O-N 2.89Å; A32-D36 PolarHBondContact O-N 3.29Å
33	A	48.1	Very low	47.9	Very low	59 Å²	59	93.1 Å²	93.1	49%	0.488	48%	0.48	S	S	.	.	H	α-helix	trans	-56	-48.2	177.3	0	0	0	0	0	111.7	E29 K35 D36 E37	E29-A33 PolarHBondContact O-N 3.03Å; A33-K35 PolarHBondContact O-N 3.42Å; A33-D36 PolarHBondContact O-N 2.93Å; A33-D36 VanDerWaalsContact O-N 3.13Å; A33-E37 WeakPolarHBondContact O-CG 3.49Å; A33-E37 PolarHBondContact O-N 2.98Å
34	I	44.8	Very low	48	Very low	83 Å²	83	98.5 Å²	98.5	43%	0.426	50%	0.495	S	S	.	.	H	α-helix	trans	-59	-33.5	177.3	-69	166.6	0	0	0	111.9	I30 A32 I38	I30-I34 HydrophobicContact CG2-CD1 3.85Å; I30-I34 WeakPolarHBondContact O-CD1 3.46Å; I30-I34 VanDerWaalsContact O-CG1 3.25Å; I30-I34 WeakPolarHBondContact O-CG1 3.48Å; I30-I34 PolarHBondContact O-N 3.03Å; I30-I34 VanDerWaalsContact O-N 3.11Å; A32-I34 PolarHBondContact O-N 3.22Å; I34-I38 HydrophobicContact CG2-CD1 4.06Å; I34-I38 WeakPolarHBondContact O-CD1 3.31Å; I34-I38 VanDerWaalsContact O-CG1 3.23Å; I34-I38 WeakPolarHBondContact O-CG1 3.4Å; I34-I38 PolarHBondContact O-N 3.27Å
35	K	54.8	Low	47.9	Very low	132 Å²	132	96.7 Å²	96.7	57%	0.574	49%	0.488	S	S	*	.	H	α-helix	trans	-70.4	-36.9	177.5	-73.8	166	-176.6	172.9	0	112.6	I31 A32 A33 I38 K39	I31-K35 HydrophobicContact CG2-CD 4.38Å; I31-K35 WeakPolarHBondContact O-CD 3.35Å; I31-K35 VanDerWaalsContact O-CG 3.26Å; I31-K35 WeakPolarHBondContact O-CG 3.31Å; I31-K35 PolarHBondContact O-N 2.89Å; A32-K35 WeakPolarHBondContact O-CB 3.34Å; A32-K35 PolarHBondContact O-N 2.89Å; A33-K35 PolarHBondContact O-N 3.42Å; K35-I38 PolarHBondContact O-N 3.5Å; K35-K39 PolarHBondContact O-N 2.73Å
36	D	57.8	Low	47.6	Very low	80 Å²	80	96.3 Å²	96.3	43%	0.428	49%	0.485	S	S	.	.	H	α-helix	trans	-82.7	-27.2	179	-79.4	-5.3	0	0	0	113.4	A32 A33 I38 K39 T40	A32-D36 PolarHBondContact O-N 3.29Å; A33-D36 PolarHBondContact O-N 2.93Å; A33-D36 VanDerWaalsContact O-N 3.13Å; D36-I38 PolarHBondContact O-N 3.08Å; D36-K39 PolarHBondContact O-N 3.06Å; D36-K39 VanDerWaalsContact OD1-CD 3.24Å; D36-K39 WeakPolarHBondContact OD1-CD 3.46Å; D36-K39 WeakPolarHBondContact OD1-CE 3.35Å; D36-K39 IonicContact OD1-NZ 3.95Å; D36-K39 PolarHBondContact OD1-NZ 3.19Å; D36-K39 IonicContact OD2-NZ 3.2Å; D36-T40 PolarHBondContact O-N 3.24Å; D36-T40 PolarHBondContact O-OG1 3.24Å
37	E	41.8	Very low	47.7	Very low	73 Å²	73	98.3 Å²	98.3	34%	0.341	50%	0.496	S	S	.	.	H	α-helix	trans	-56.3	-41.8	161.9	-69.2	-153.3	112.2	0	0	111.4	A33 T40 F41 R68	A33-E37 WeakPolarHBondContact O-CG 3.49Å; A33-E37 PolarHBondContact O-N 2.98Å; E37-T40 PolarHBondContact O-OG1 3.4Å; E37-T40 VanDerWaalsContact O-OG1 3.06Å; E37-F41 WeakPolarHBondContact O-CB 3.46Å; E37-F41 PolarHBondContact O-N 3.45Å; E37-R68 VanDerWaalsContact CD-NH2 3.27Å; E37-R68 VanDerWaalsContact CG-NH2 3.3Å; E37-R68 IonicContact OE1-CZ 3.68Å; E37-R68 IonicContact OE1-NE 2.68Å; E37-R68 PolarHBondContact OE1-NE 3.45Å; E37-R68 IonicContact OE1-NH2 3.28Å; E37-R68 PolarHBondContact OE1-NH2 3.18Å
38	I	47.9	Very low	47.3	Very low	99 Å²	99	102 Å²	102	51%	0.508	52%	0.516	S	S	.	.	H	α-helix	trans	-71.3	-35.6	178.7	-69.3	166.3	0	0	0	111.6	I34 K35 D36 N42	I34-I38 HydrophobicContact CG2-CD1 4.06Å; I34-I38 WeakPolarHBondContact O-CD1 3.31Å; I34-I38 VanDerWaalsContact O-CG1 3.23Å; I34-I38 WeakPolarHBondContact O-CG1 3.4Å; I34-I38 PolarHBondContact O-N 3.27Å; K35-I38 PolarHBondContact O-N 3.5Å; D36-I38 PolarHBondContact O-N 3.08Å; I38-N42 PolarHBondContact O-N 2.76Å; I38-N42 PolarHBondContact O-ND2 3.24Å
39	K	57.1	Low	46.1	Very low	138 Å²	138	102.6 Å²	102.6	60%	0.6	52%	0.522	S	S	*	.	H	α-helix	trans	-62	-53.9	173.1	-74.5	-173.6	-164.9	147.6	0	111.7	K35 D36 F41 N42 H43	K35-K39 PolarHBondContact O-N 2.73Å; D36-K39 PolarHBondContact O-N 3.06Å; D36-K39 VanDerWaalsContact OD1-CD 3.24Å; D36-K39 WeakPolarHBondContact OD1-CD 3.46Å; D36-K39 WeakPolarHBondContact OD1-CE 3.35Å; D36-K39 IonicContact OD1-NZ 3.95Å; D36-K39 PolarHBondContact OD1-NZ 3.19Å; D36-K39 IonicContact OD2-NZ 3.2Å; K39-F41 VanDerWaalsContact C-N 3.33Å; K39-F41 PolarHBondContact O-N 3.12Å; K39-N42 PolarHBondContact O-N 2.86Å; K39-N42 VanDerWaalsContact O-N 3.09Å; K39-H43 PolarHBondContact O-N 2.86Å; K39-H43 VanDerWaalsContact O-N 3.17Å
40	T	47.8	Very low	45.2	Very low	74 Å²	74	99.6 Å²	99.6	45%	0.454	53%	0.527	S	S	.	.	H	α-helix	trans	-59.4	-43.2	-176	44	0	0	0	0	111.6	D36 E37 N42 H43 Y44	D36-T40 PolarHBondContact O-N 3.24Å; D36-T40 PolarHBondContact O-OG1 3.24Å; E37-T40 PolarHBondContact O-OG1 3.4Å; E37-T40 VanDerWaalsContact O-OG1 3.06Å; T40-N42 VanDerWaalsContact C-N 3.32Å; T40-N42 PolarHBondContact O-N 2.8Å; T40-H43 PolarHBondContact O-N 2.95Å; T40-H43 VanDerWaalsContact O-N 3.12Å; T40-Y44 PolarHBondContact O-N 3.29Å
41	F	39.5	Very low	44.5	Very low	117 Å²	117	103.7 Å²	103.7	51%	0.513	55%	0.55	S	S	.	.	H	α-helix	trans	-61.6	-34.8	175.9	-166.9	-103.2	0	0	0	113.7	E37 K39 L45	E37-F41 WeakPolarHBondContact O-CB 3.46Å; E37-F41 PolarHBondContact O-N 3.45Å; K39-F41 VanDerWaalsContact C-N 3.33Å; K39-F41 PolarHBondContact O-N 3.12Å; F41-L45 HydrophobicContact CD1-CD1 3.93Å; F41-L45 HydrophobicContact CE1-CD1 3.73Å; F41-L45 HydrophobicContact CZ-CD1 4.49Å; F41-L45 WeakPolarHBondContact O-CG 3.4Å; F41-L45 PolarHBondContact O-N 2.83Å
42	N	47.5	Very low	43.4	Very low	69 Å²	69	103 Å²	103	37%	0.369	56%	0.562	S	S	.	*	H	α-helix	trans	-75.8	-20.2	176	-83	-79.3	0	0	0	113.8	I38 K39 T40	I38-N42 PolarHBondContact O-N 2.76Å; I38-N42 PolarHBondContact O-ND2 3.24Å; K39-N42 PolarHBondContact O-N 2.86Å; K39-N42 VanDerWaalsContact O-N 3.09Å; T40-N42 VanDerWaalsContact C-N 3.32Å; T40-N42 PolarHBondContact O-N 2.8Å
43	H	44.9	Very low	41.8	Very low	128 Å²	128	107.3 Å²	107.3	59%	0.593	58%	0.583	S	S	*	*	H	α-helix	trans	-75.3	-49.7	173.3	-166.4	-10.4	0	0	0	110.9	K39 T40 L45 K46	K39-H43 PolarHBondContact O-N 2.86Å; K39-H43 VanDerWaalsContact O-N 3.17Å; T40-H43 PolarHBondContact O-N 2.95Å; T40-H43 VanDerWaalsContact O-N 3.12Å; H43-L45 PolarHBondContact O-N 3.03Å; H43-K46 VanDerWaalsContact O-CB 3.28Å; H43-K46 WeakPolarHBondContact O-CB 3.04Å; H43-K46 PolarHBondContact O-N 3.39Å
44	Y	37.7	Very low	40.9	Very low	178 Å²	178	109.4 Å²	109.4	70%	0.698	59%	0.59	S	S	*	*	H	α-helix	trans	-60.2	-30.8	179.9	-123.1	-86.1	0	0	0	113.3	T40 K46	T40-Y44 PolarHBondContact O-N 3.29Å; Y44-K46 PolarHBondContact O-N 2.99Å
45	L	37.6	Very low	39.9	Very low	71 Å²	71	117 Å²	117	37%	0.372	62%	0.615	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.9	-7.7	175.6	-83.2	171.8	0	0	0	114.3	F41 H43 R1254	F41-L45 HydrophobicContact CD1-CD1 3.93Å; F41-L45 HydrophobicContact CE1-CD1 3.73Å; F41-L45 HydrophobicContact CZ-CD1 4.49Å; F41-L45 WeakPolarHBondContact O-CG 3.4Å; F41-L45 PolarHBondContact O-N 2.83Å; H43-L45 PolarHBondContact O-N 3.03Å; L45-R1254 PolarHBondContact O-NH1 3.19Å
46	K	40.2	Very low	38.7	Very low	126 Å²	126	114.8 Å²	114.8	55%	0.548	62%	0.616	S	S	.	*	S	Bend	trans	-82.6	-35.4	-170.3	-128.1	175.2	-173.4	-178.1	0	113.6	H43 Y44 R1254	H43-K46 VanDerWaalsContact O-CB 3.28Å; H43-K46 WeakPolarHBondContact O-CB 3.04Å; H43-K46 PolarHBondContact O-N 3.39Å; Y44-K46 PolarHBondContact O-N 2.99Å; K46-R1254 PolarHBondContact O-NH1 3.33Å; K46-R1254 PolarHBondContact O-NH2 3.13Å
47	D	42.3	Very low	37.2	Very low	122 Å²	122	119.4 Å²	119.4	65%	0.652	63%	0.628	S	S	*	*	S	Bend	trans	-94.4	-13.8	-162.8	-48.8	-41.3	0	0	0	113.6	S49	D47-S49 VanDerWaalsContact C-N 3.31Å; D47-S49 PolarHBondContact O-N 2.88Å
48	L	35.5	Very low	36.6	Very low	153 Å²	153	120.8 Å²	120.8	80%	0.801	64%	0.644	S	S	*	*			trans	-85.3	60.1	179.1	-67.5	166.8	0	0	0	112.7
49	S	32.7	Very low	35.8	Very low	93 Å²	93	122.5 Å²	122.5	65%	0.65	65%	0.654	S	S	*	*			trans	-136.1	77.7	172.6	57.8	0	0	0	0	112.6	D47	D47-S49 VanDerWaalsContact C-N 3.31Å; D47-S49 PolarHBondContact O-N 2.88Å
50	G	32.3	Very low	34.8	Very low	70 Å²	70	124.4 Å²	124.4	72%	0.722	66%	0.657	S	S	*	*	S	Bend	trans	-144.5	160.3	162.9	0	0	0	0	0	108.4
51	D	31	Very low	33.9	Very low	179 Å²	179	128 Å²	128	96%	0.957	67%	0.672	S	S	*	*			trans	-82.7	153	-163.2	-59.7	-73.7	0	0	0	115.1
52	G	28.1	Very low	33.4	Very low	66 Å²	66	129.2 Å²	129.2	68%	0.68	68%	0.683	S	S	*	*			trans	143	116.1	161	0	0	0	0	0	118.8
53	V	27.7	Very low	32.6	Very low	144 Å²	144	132.3 Å²	132.3	87%	0.873	70%	0.695	S	S	*	*			trans	64.9	147.4	139.9	-131.8	0	0	0	0	122.5
54	V	29.1	Very low	31.9	Very low	103 Å²	103	131.4 Å²	131.4	62%	0.624	69%	0.69	S	S	*	*			trans	66.9	119.9	163.6	-164.6	0	0	0	0	119.4
55	Y	25.6	Very low	31.8	Very low	242 Å²	242	127 Å²	127	95%	0.949	68%	0.683	S	S	*	*			trans	-96.2	116.5	166.2	-76.7	-98.7	0	0	0	112
56	S	27.8	Very low	31.7	Very low	86 Å²	86	131.5 Å²	131.5	60%	0.601	70%	0.7	S	S	*	*			trans	-156.4	110.9	163.1	59.1	0	0	0	0	114
57	Y	28.1	Very low	31.4	Very low	176 Å²	176	127.4 Å²	127.4	69%	0.69	68%	0.684	S	S	*	*			trans	31.1	90.5	159.9	-70.2	-79.2	0	0	0	120.4
58	P	28.1	Very low	31.2	Very low	102 Å²	102	126.6 Å²	126.6	66%	0.662	67%	0.672	S	S	*	*			trans	-79.8	-9.2	171.7	-15.1	31.9	0	0	0	116.3	R60 I61	P58-R60 PolarHBondContact O-N 3.37Å; P58-I61 PolarHBondContact O-N 2.89Å
59	D	32.1	Very low	31.7	Very low	135 Å²	135	123.1 Å²	123.1	72%	0.722	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	17	-163.5	-81.8	-12.9	0	0	0	117.2
60	R	34.4	Very low	32.1	Very low	179 Å²	179	125.3 Å²	125.3	68%	0.675	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.4	-5.2	178.9	-66	-171	179.1	-159.2	0.1	115.3	P58 T98	P58-R60 PolarHBondContact O-N 3.37Å; R60-T98 PolarHBondContact NH1-OG1 3.02Å; R60-T98 VanDerWaalsContact NH2-CB 3.3Å; R60-T98 PolarHBondContact NH2-OG1 3.2Å
61	I	30.3	Very low	32.9	Very low	150 Å²	150	126.9 Å²	126.9	77%	0.769	66%	0.66	S	S	*	*			trans	-102	30	-174	-35.7	-176.3	0	0	0	112.2	P58 H63	P58-I61 PolarHBondContact O-N 2.89Å; I61-H63 PolarHBondContact O-N 3.22Å
62	L	29.5	Very low	33.2	Very low	141 Å²	141	119.4 Å²	119.4	74%	0.738	63%	0.625	S	S	*	*			trans	-82.5	82.8	179.5	-78.4	172	0	0	0	112.6
63	H	29.9	Very low	33.8	Very low	135 Å²	135	121.2 Å²	121.2	63%	0.625	62%	0.616	S	S	*	*			trans	41.8	97.3	154.2	-58.9	-82.5	0	0	0	118.2	I61 P65	I61-H63 PolarHBondContact O-N 3.22Å; H63-P65 WeakPolarHBondContact O-CD 3.34Å
64	K	31	Very low	34.6	Very low	109 Å²	109	120.7 Å²	120.7	47%	0.474	61%	0.607	S	S	.	*			trans	-92.9	107.1	159.1	-60	179.5	-167.2	171.1	0	108.3	F66 D362 D364	K64-F66 VanDerWaalsContact C-N 3.25Å; K64-F66 PolarHBondContact O-N 3.48Å; K64-D362 WeakPolarHBondContact CD-OD2 3.47Å; K64-D362 WeakPolarHBondContact CE-OD2 3.45Å; K64-D362 IonicContact NZ-OD1 3.65Å; K64-D362 PolarHBondContact NZ-OD1 3.28Å; K64-D362 IonicContact NZ-OD2 3.11Å; K64-D362 PolarHBondContact NZ-OD2 3.47Å; K64-D364 IonicContact NZ-OD2 3.78Å; K64-D364 PolarHBondContact NZ-OD2 2.95Å
65	P	34.1	Very low	35.3	Very low	86 Å²	86	117.1 Å²	117.1	56%	0.558	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	3.5	-163.9	-22.6	35.1	0	0	0	118.2	H63	H63-P65 WeakPolarHBondContact O-CD 3.34Å
66	F	36.8	Very low	36.6	Very low	164 Å²	164	110.5 Å²	110.5	72%	0.719	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.2	19.6	-161.3	-58.2	-73.9	0	0	0	113.9	K64 Y356	K64-F66 VanDerWaalsContact C-N 3.25Å; K64-F66 PolarHBondContact O-N 3.48Å; F66-Y356 WeakPolarHBondContact CB-OH 3.24Å; F66-Y356 PolarHBondContact O-OH 2.87Å
67	L	32.8	Very low	37.7	Very low	40 Å²	40	109.9 Å²	109.9	21%	0.209	57%	0.567	C	S	.	*			trans	-122.3	87	-179.4	-65.5	168.9	0	0	0	110.5	Y356 I365	L67-Y356 HydrophobicContact CD2-CE2 3.96Å; L67-Y356 WeakPolarHBondContact CD2-OH 3.23Å; L67-Y356 WeakPolarHBondContact CG-OH 3.21Å; L67-I365 HydrophobicContact CD1-CD1 3.57Å; L67-I365 HydrophobicContact CD1-CG1 3.69Å; L67-I365 HydrophobicContact CD2-CD1 3.57Å; L67-I365 HydrophobicContact CD2-CG1 4.41Å; L67-I365 HydrophobicContact CG-CD1 4.12Å
68	R	39.4	Very low	38.7	Very low	106 Å²	106	103.4 Å²	103.4	40%	0.4	54%	0.544	S	S	.	.			trans	-129.3	137.6	166	-67.3	-177.9	-178.1	-98.2	3.8	108.4	E37 G72 E73	E37-R68 VanDerWaalsContact CD-NH2 3.27Å; E37-R68 VanDerWaalsContact CG-NH2 3.3Å; E37-R68 IonicContact OE1-CZ 3.68Å; E37-R68 IonicContact OE1-NE 2.68Å; E37-R68 PolarHBondContact OE1-NE 3.45Å; E37-R68 IonicContact OE1-NH2 3.28Å; E37-R68 PolarHBondContact OE1-NH2 3.18Å; R68-G72 WeakPolarHBondContact CD-O 3.31Å; R68-G72 VanDerWaalsContact CG-O 3.27Å; R68-G72 WeakPolarHBondContact CG-O 3.46Å; R68-G72 PolarHBondContact NH1-O 3.28Å; R68-E73 CarbonylContact C-O 3.6Å; R68-E73 VanDerWaalsContact CA-O 3.29Å; R68-E73 WeakPolarHBondContact CA-O 3.32Å
69	L	44.8	Very low	39.9	Very low	79 Å²	79	103 Å²	103	41%	0.414	54%	0.543	S	S	.	.			trans	-59.5	168.6	160.6	-70.9	167.6	0	0	0	109.3	N71 G72 E73 P75	L69-N71 VanDerWaalsContact CB-OD1 3.23Å; L69-N71 WeakPolarHBondContact CB-OD1 3.31Å; L69-N71 PolarHBondContact O-N 2.9Å; L69-G72 PolarHBondContact O-N 2.93Å; L69-E73 WeakPolarHBondContact CB-O 3.39Å; L69-E73 HydrophobicContact CD1-CB 4.44Å; L69-E73 PolarHBondContact N-O 3.13Å; L69-P75 HydrophobicContact CD1-CB 4.34Å; L69-P75 HydrophobicContact CD2-CB 4.38Å; L69-P75 HydrophobicContact CG-CB 4.24Å
70	S	42	Very low	40.5	Very low	139 Å²	139	98.2 Å²	98.2	97%	0.972	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-19.8	-178.5	48.3	0	0	0	0	114.5
71	N	47.5	Very low	41.1	Very low	103 Å²	103	90.5 Å²	90.5	55%	0.551	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-1.3	174.6	67.4	-8	0	0	0	114.2	L69 E73	L69-N71 VanDerWaalsContact CB-OD1 3.23Å; L69-N71 WeakPolarHBondContact CB-OD1 3.31Å; L69-N71 PolarHBondContact O-N 2.9Å; N71-E73 VanDerWaalsContact ND2-CD 3.31Å; N71-E73 PolarHBondContact ND2-OE2 2.92Å; N71-E73 WeakPolarHBondContact OD1-CB 3.21Å; N71-E73 PolarHBondContact OD1-N 3.43Å
72	G	39.2	Very low	42.2	Very low	22 Å²	22	86.8 Å²	86.8	23%	0.227	47%	0.473	C	S	.	.	S	Bend	trans	94	1.2	-177.4	0	0	0	0	0	115.6	R68 L69	R68-G72 WeakPolarHBondContact CD-O 3.31Å; R68-G72 VanDerWaalsContact CG-O 3.27Å; R68-G72 WeakPolarHBondContact CG-O 3.46Å; R68-G72 PolarHBondContact NH1-O 3.28Å; L69-G72 PolarHBondContact O-N 2.93Å
73	E	40	Very low	43.3	Very low	104 Å²	104	83.5 Å²	83.5	49%	0.486	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-92.9	147.8	-173.9	-63.2	-177.6	141	0	0	113.7	R68 L69 N71	R68-E73 CarbonylContact C-O 3.6Å; R68-E73 VanDerWaalsContact CA-O 3.29Å; R68-E73 WeakPolarHBondContact CA-O 3.32Å; L69-E73 WeakPolarHBondContact CB-O 3.39Å; L69-E73 HydrophobicContact CD1-CB 4.44Å; L69-E73 PolarHBondContact N-O 3.13Å; N71-E73 VanDerWaalsContact ND2-CD 3.31Å; N71-E73 PolarHBondContact ND2-OE2 2.92Å; N71-E73 WeakPolarHBondContact OD1-CB 3.21Å; N71-E73 PolarHBondContact OD1-N 3.43Å
74	I	44	Very low	44.2	Very low	133 Å²	133	79 Å²	79	68%	0.682	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-68.1	128	169.4	-58.2	172.5	0	0	0	107.1
75	P	43.7	Very low	45.3	Very low	29 Å²	29	79 Å²	79	19%	0.188	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-58.9	128.6	176.2	24.5	-33.3	0	0	0	109.5	L69	L69-P75 HydrophobicContact CD1-CB 4.34Å; L69-P75 HydrophobicContact CD2-CB 4.38Å; L69-P75 HydrophobicContact CG-CB 4.24Å
76	P	53.2	Low	46	Very low	102 Å²	102	81.3 Å²	81.3	66%	0.662	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-63.3	143	-175.5	25.1	-33.9	0	0	0	110.4	N78	P76-N78 PolarHBondContact O-N 3.19Å
77	P	50.3	Low	46.6	Very low	73 Å²	73	76.8 Å²	76.8	47%	0.474	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-56.9	136.9	168.1	25.4	-32.7	0	0	0	108.8	A81 I82	P77-A81 HydrophobicContact CB-CB 4.04Å; P77-I82 HydrophobicContact CB-CG1 4.03Å; P77-I82 HydrophobicContact CG-CD1 4.18Å; P77-I82 HydrophobicContact CG-CG1 3.71Å; P77-I82 WeakPolarHBondContact O-CD1 3.26Å
78	N	49.3	Very low	47.4	Very low	41 Å²	41	80.2 Å²	80.2	22%	0.219	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-63.8	162.7	177.1	66.9	1.9	0	0	0	110.6	P76 D80 A81 I82 A368	P76-N78 PolarHBondContact O-N 3.19Å; N78-D80 PolarHBondContact O-N 2.67Å; N78-D80 VanDerWaalsContact O-N 3.16Å; N78-A81 PolarHBondContact O-N 2.78Å; N78-A81 WeakPolarHBondContact OD1-CB 3.23Å; N78-A81 PolarHBondContact OD1-N 2.69Å; N78-I82 WeakPolarHBondContact O-CG1 3.43Å; N78-I82 PolarHBondContact O-N 3.4Å; N78-A368 VanDerWaalsContact CG-O 3.23Å; N78-A368 PolarHBondContact ND2-O 3.02Å; N78-A368 PolarHBondContact OD1-O 2.72Å
79	S	53.1	Low	47.7	Very low	92 Å²	92	76.3 Å²	76.3	64%	0.643	42%	0.424	S	S	*	.	H	α-helix	trans	-53.6	-37.8	-177.8	47.4	0	0	0	0	112.6	I82 L83	S79-I82 PolarHBondContact O-N 2.9Å; S79-L83 WeakPolarHBondContact O-CB 3.41Å; S79-L83 WeakPolarHBondContact O-CD1 3.39Å; S79-L83 VanDerWaalsContact O-CG 3.22Å; S79-L83 WeakPolarHBondContact O-CG 3.37Å; S79-L83 PolarHBondContact O-N 3.23Å
80	D	46.1	Very low	48.1	Very low	36 Å²	36	78.7 Å²	78.7	19%	0.193	43%	0.432	C	S	.	.	H	α-helix	trans	-63	-46.6	173	164	82.1	0	0	0	113.6	N78 I82 L83 R84 S371	N78-D80 PolarHBondContact O-N 2.67Å; N78-D80 VanDerWaalsContact O-N 3.16Å; D80-I82 VanDerWaalsContact C-N 3.32Å; D80-I82 PolarHBondContact O-N 3.05Å; D80-L83 WeakPolarHBondContact O-CB 3.43Å; D80-L83 PolarHBondContact O-N 3.08Å; D80-R84 VanDerWaalsContact CG-NE 3.32Å; D80-R84 WeakPolarHBondContact O-CB 3.35Å; D80-R84 VanDerWaalsContact O-CG 3.31Å; D80-R84 WeakPolarHBondContact O-CG 3.45Å; D80-R84 PolarHBondContact O-N 3.14Å; D80-R84 IonicContact OD1-CZ 3.3Å; D80-R84 IonicContact OD1-NE 2.75Å; D80-R84 PolarHBondContact OD1-NE 3.01Å; D80-R84 IonicContact OD1-NH1 2.79Å; D80-R84 IonicContact OD1-NH2 3.12Å; D80-R84 PolarHBondContact OD1-NH2 3.23Å; D80-R84 WeakPolarHBondContact OD2-CD 3.38Å; D80-R84 IonicContact OD2-CZ 3.26Å; D80-R84 IonicContact OD2-NE 3.68Å; D80-R84 PolarHBondContact OD2-NE 3.02Å; D80-R84 VanDerWaalsContact OD2-NE 3.11Å; D80-R84 IonicContact OD2-NH1 2.62Å; D80-R84 PolarHBondContact OD2-NH1 3.34Å; D80-R84 IonicContact OD2-NH2 3.57Å; D80-R84 PolarHBondContact OD2-NH2 3.15Å; D80-S371 VanDerWaalsContact CG-O 3.27Å
81	A	45.9	Very low	48.2	Very low	16 Å²	16	74 Å²	74	13%	0.132	40%	0.397	C	S	.	.	H	α-helix	trans	-67.6	-32.7	177	0	0	0	0	0	112.2	P77 N78 T85	P77-A81 HydrophobicContact CB-CB 4.04Å; N78-A81 PolarHBondContact O-N 2.78Å; N78-A81 WeakPolarHBondContact OD1-CB 3.23Å; N78-A81 PolarHBondContact OD1-N 2.69Å; A81-T85 WeakPolarHBondContact O-CB 3.45Å; A81-T85 PolarHBondContact O-N 3.15Å; A81-T85 PolarHBondContact O-OG1 3.22Å
82	I	54.6	Low	48	Very low	73 Å²	73	69.5 Å²	69.5	37%	0.374	37%	0.373	S	S	.	.	H	α-helix	trans	-62.8	-50.6	169.5	-65.8	171.3	0	0	0	109.7	P77 N78 S79 D80 T85 Q86	P77-I82 HydrophobicContact CB-CG1 4.03Å; P77-I82 HydrophobicContact CG-CD1 4.18Å; P77-I82 HydrophobicContact CG-CG1 3.71Å; P77-I82 WeakPolarHBondContact O-CD1 3.26Å; N78-I82 WeakPolarHBondContact O-CG1 3.43Å; N78-I82 PolarHBondContact O-N 3.4Å; S79-I82 PolarHBondContact O-N 2.9Å; D80-I82 VanDerWaalsContact C-N 3.32Å; D80-I82 PolarHBondContact O-N 3.05Å; I82-T85 WeakPolarHBondContact O-CB 3.38Å; I82-T85 PolarHBondContact O-N 3.2Å; I82-Q86 HydrophobicContact CG2-CG 4.38Å; I82-Q86 WeakPolarHBondContact O-CG 3.46Å; I82-Q86 PolarHBondContact O-N 3.41Å
83	L	51.7	Low	48.1	Very low	71 Å²	71	69.8 Å²	69.8	37%	0.372	37%	0.371	S	S	.	.	H	α-helix	trans	-58.4	-50.6	177.2	-75.9	165	0	0	0	111.5	S79 D80 T85 Q86 R87	S79-L83 WeakPolarHBondContact O-CB 3.41Å; S79-L83 WeakPolarHBondContact O-CD1 3.39Å; S79-L83 VanDerWaalsContact O-CG 3.22Å; S79-L83 WeakPolarHBondContact O-CG 3.37Å; S79-L83 PolarHBondContact O-N 3.23Å; D80-L83 WeakPolarHBondContact O-CB 3.43Å; D80-L83 PolarHBondContact O-N 3.08Å; L83-T85 PolarHBondContact O-N 3Å; L83-Q86 PolarHBondContact O-N 2.9Å; L83-Q86 VanDerWaalsContact O-N 3.07Å; L83-R87 VanDerWaalsContact O-CB 3.31Å; L83-R87 WeakPolarHBondContact O-CB 3.26Å; L83-R87 WeakPolarHBondContact O-CG 3.42Å; L83-R87 PolarHBondContact O-N 3.48Å
84	R	49.7	Very low	48.2	Very low	41 Å²	41	66.9 Å²	66.9	16%	0.155	36%	0.359	C	S	.	.	H	α-helix	trans	-54.6	-39.6	176.1	-73.9	166.6	-178.4	173.4	-0.6	112.5	D80 K88 E89 F331 S371	D80-R84 VanDerWaalsContact CG-NE 3.32Å; D80-R84 WeakPolarHBondContact O-CB 3.35Å; D80-R84 VanDerWaalsContact O-CG 3.31Å; D80-R84 WeakPolarHBondContact O-CG 3.45Å; D80-R84 PolarHBondContact O-N 3.14Å; D80-R84 IonicContact OD1-CZ 3.3Å; D80-R84 IonicContact OD1-NE 2.75Å; D80-R84 PolarHBondContact OD1-NE 3.01Å; D80-R84 IonicContact OD1-NH1 2.79Å; D80-R84 IonicContact OD1-NH2 3.12Å; D80-R84 PolarHBondContact OD1-NH2 3.23Å; D80-R84 WeakPolarHBondContact OD2-CD 3.38Å; D80-R84 IonicContact OD2-CZ 3.26Å; D80-R84 IonicContact OD2-NE 3.68Å; D80-R84 PolarHBondContact OD2-NE 3.02Å; D80-R84 VanDerWaalsContact OD2-NE 3.11Å; D80-R84 IonicContact OD2-NH1 2.62Å; D80-R84 PolarHBondContact OD2-NH1 3.34Å; D80-R84 IonicContact OD2-NH2 3.57Å; D80-R84 PolarHBondContact OD2-NH2 3.15Å; R84-K88 PolarHBondContact O-N 3.21Å; R84-E89 WeakPolarHBondContact CA-OE2 3.37Å; R84-E89 HydrophobicContact CB-CB 4.23Å; R84-E89 HydrophobicContact CG-CB 4.34Å; R84-E89 VanDerWaalsContact CG-OE2 3.29Å; R84-E89 WeakPolarHBondContact CG-OE2 3.44Å; R84-E89 PolarHBondContact O-N 3.47Å; R84-F331 HydrophobicContact CG-CZ 4.23Å; R84-S371 PolarHBondContact NH1-O 3.17Å; R84-S371 PolarHBondContact NH2-O 3.03Å
85	T	52.4	Low	48.3	Very low	109 Å²	109	62.1 Å²	62.1	67%	0.669	34%	0.336	S	S	*	.	H	α-helix	trans	-68.8	-44.8	176.5	-56.8	0	0	0	0	111.7	A81 I82 L83 K88	A81-T85 WeakPolarHBondContact O-CB 3.45Å; A81-T85 PolarHBondContact O-N 3.15Å; A81-T85 PolarHBondContact O-OG1 3.22Å; I82-T85 WeakPolarHBondContact O-CB 3.38Å; I82-T85 PolarHBondContact O-N 3.2Å; L83-T85 PolarHBondContact O-N 3Å; T85-K88 PolarHBondContact O-N 3.4Å
86	Q	50.2	Low	48.1	Very low	134 Å²	134	66.2 Å²	66.2	63%	0.626	35%	0.348	S	S	*	.	H	α-helix	trans	-62.9	-42.9	176	-71.9	170.2	-17.9	0	0	112.3	I82 L83 K88	I82-Q86 HydrophobicContact CG2-CG 4.38Å; I82-Q86 WeakPolarHBondContact O-CG 3.46Å; I82-Q86 PolarHBondContact O-N 3.41Å; L83-Q86 PolarHBondContact O-N 2.9Å; L83-Q86 VanDerWaalsContact O-N 3.07Å; Q86-K88 PolarHBondContact O-N 3.11Å
87	R	48.3	Very low	47.6	Very low	70 Å²	70	64.7 Å²	64.7	26%	0.264	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-8.1	179.6	-65.3	177.8	176	179.1	-0.3	114.3	L83 E89 H300	L83-R87 VanDerWaalsContact O-CB 3.31Å; L83-R87 WeakPolarHBondContact O-CB 3.26Å; L83-R87 WeakPolarHBondContact O-CG 3.42Å; L83-R87 PolarHBondContact O-N 3.48Å; R87-E89 HydrophobicContact CB-CG 3.73Å; R87-E89 VanDerWaalsContact CD-OE1 3.24Å; R87-E89 WeakPolarHBondContact CD-OE1 3.42Å; R87-E89 WeakPolarHBondContact CD-OE2 3.3Å; R87-E89 IonicContact NH1-OE1 3.64Å; R87-E89 PolarHBondContact NH1-OE1 3.29Å; R87-E89 IonicContact NH1-OE2 2.72Å; R87-E89 PolarHBondContact O-N 3.36Å; R87-H300 VanDerWaalsContact CD-CE1 3.44Å; R87-H300 WeakPolarHBondContact CD-CE1 3.39Å; R87-H300 WeakPolarHBondContact CG-CE1 3.34Å
88	K	49.7	Very low	47.1	Very low	112 Å²	112	64.9 Å²	64.9	49%	0.487	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	33	-172.1	-55.9	171.1	-177.1	167	0	112.9	R84 T85 Q86 H90	R84-K88 PolarHBondContact O-N 3.21Å; T85-K88 PolarHBondContact O-N 3.4Å; Q86-K88 PolarHBondContact O-N 3.11Å; K88-H90 PolarHBondContact O-N 2.83Å
89	E	47	Very low	46.9	Very low	23 Å²	23	66.4 Å²	66.4	11%	0.107	36%	0.357	C	S	.	.			trans	-75.7	62.3	176.1	-71.2	170.6	160.9	0	0	110.9	R84 R87 N91 F331	R84-E89 WeakPolarHBondContact CA-OE2 3.37Å; R84-E89 HydrophobicContact CB-CB 4.23Å; R84-E89 HydrophobicContact CG-CB 4.34Å; R84-E89 VanDerWaalsContact CG-OE2 3.29Å; R84-E89 WeakPolarHBondContact CG-OE2 3.44Å; R84-E89 PolarHBondContact O-N 3.47Å; R87-E89 HydrophobicContact CB-CG 3.73Å; R87-E89 VanDerWaalsContact CD-OE1 3.24Å; R87-E89 WeakPolarHBondContact CD-OE1 3.42Å; R87-E89 WeakPolarHBondContact CD-OE2 3.3Å; R87-E89 IonicContact NH1-OE1 3.64Å; R87-E89 PolarHBondContact NH1-OE1 3.29Å; R87-E89 IonicContact NH1-OE2 2.72Å; R87-E89 PolarHBondContact O-N 3.36Å; E89-N91 PolarHBondContact O-N 3.5Å; E89-F331 HydrophobicContact CG-CE2 4.42Å
90	H	51.9	Low	46.4	Very low	129 Å²	129	64 Å²	64	60%	0.597	35%	0.346	S	S	*	.			trans	-67.4	114	170.5	-61	-37.3	0	0	0	109.7	K88 L92 V95	K88-H90 PolarHBondContact O-N 2.83Å; H90-L92 PolarHBondContact O-N 3.11Å; H90-V95 HydrophobicContact CB-CG2 3.5Å
91	N	44	Very low	46.7	Very low	41 Å²	41	67.5 Å²	67.5	22%	0.219	36%	0.36	C	S	.	.			trans	-59.5	118.2	179.1	-160	-67.2	0	0	0	110.1	E89 S93 D94 V95	E89-N91 PolarHBondContact O-N 3.5Å; N91-S93 PolarHBondContact O-N 3.04Å; N91-S93 VanDerWaalsContact O-N 3.08Å; N91-S93 WeakPolarHBondContact OD1-CB 3.47Å; N91-S93 PolarHBondContact OD1-N 3.36Å; N91-S93 PolarHBondContact OD1-OG 3.08Å; N91-D94 WeakPolarHBondContact O-CA 3.32Å; N91-D94 WeakPolarHBondContact O-CB 3.29Å; N91-D94 PolarHBondContact O-N 3.45Å; N91-V95 PolarHBondContact O-N 3.47Å
92	L	43	Very low	47.3	Very low	9 Å²	9	75.8 Å²	75.8	5%	0.047	39%	0.393	C	S	.	.	H	α-helix	trans	-66	-17.1	-170.2	-76.2	159.9	0	0	0	113.6	H90 V95 R96 F317 Q321 Q324 T325	H90-L92 PolarHBondContact O-N 3.11Å; L92-V95 HydrophobicContact CD2-CB 4.39Å; L92-R96 WeakPolarHBondContact O-CB 3.43Å; L92-R96 WeakPolarHBondContact O-CD 3.34Å; L92-R96 WeakPolarHBondContact O-CG 3.41Å; L92-R96 PolarHBondContact O-N 2.71Å; L92-F317 HydrophobicContact CD2-CE2 4.48Å; L92-Q321 HydrophobicContact CD1-CB 4.23Å; L92-Q321 HydrophobicContact CD1-CG 4.07Å; L92-Q324 HydrophobicContact CD1-CB 3.51Å; L92-Q324 HydrophobicContact CD1-CG 4.46Å; L92-Q324 VanDerWaalsContact CD1-OE1 3.29Å; L92-Q324 HydrophobicContact CG-CB 4.44Å; L92-T325 HydrophobicContact CB-CG2 4.44Å; L92-T325 HydrophobicContact CD1-CG2 3.83Å
93	S	41.5	Very low	47.8	Very low	27 Å²	27	74.4 Å²	74.4	19%	0.189	38%	0.383	C	S	.	.	H	α-helix	trans	-61.2	-47.1	167.9	65.1	0	0	0	0	111.2	N91 R96 A97	N91-S93 PolarHBondContact O-N 3.04Å; N91-S93 VanDerWaalsContact O-N 3.08Å; N91-S93 WeakPolarHBondContact OD1-CB 3.47Å; N91-S93 PolarHBondContact OD1-N 3.36Å; N91-S93 PolarHBondContact OD1-OG 3.08Å; S93-R96 PolarHBondContact O-N 2.78Å; S93-A97 VanDerWaalsContact O-CB 3.32Å; S93-A97 WeakPolarHBondContact O-CB 3.18Å; S93-A97 PolarHBondContact O-N 3.05Å
94	D	42.6	Very low	48.7	Very low	43 Å²	43	76.2 Å²	76.2	23%	0.23	39%	0.393	C	S	.	.	H	α-helix	trans	-75.5	-36.2	-179.6	-56.6	-36.9	0	0	0	111.5	N91 A97 T98 N376	N91-D94 WeakPolarHBondContact O-CA 3.32Å; N91-D94 WeakPolarHBondContact O-CB 3.29Å; N91-D94 PolarHBondContact O-N 3.45Å; D94-A97 PolarHBondContact O-N 3.44Å; D94-T98 WeakPolarHBondContact O-CB 3.25Å; D94-T98 VanDerWaalsContact O-CG2 3.28Å; D94-T98 WeakPolarHBondContact O-CG2 3.38Å; D94-T98 PolarHBondContact O-N 2.99Å; D94-T98 VanDerWaalsContact O-N 3.08Å; D94-T98 PolarHBondContact O-OG1 2.93Å; D94-N376 PolarHBondContact OD1-ND2 3.43Å
95	V	46.5	Very low	49.9	Very low	34 Å²	34	77.8 Å²	77.8	21%	0.206	40%	0.401	C	S	.	.	H	α-helix	trans	-60.5	-53.3	169	-178.3	0	0	0	0	110	H90 N91 L92 A97 T98 S99	H90-V95 HydrophobicContact CB-CG2 3.5Å; N91-V95 PolarHBondContact O-N 3.47Å; L92-V95 HydrophobicContact CD2-CB 4.39Å; V95-A97 VanDerWaalsContact C-N 3.27Å; V95-A97 PolarHBondContact O-N 2.96Å; V95-T98 PolarHBondContact O-N 2.97Å; V95-T98 PolarHBondContact O-OG1 2.94Å; V95-S99 PolarHBondContact O-N 2.71Å; V95-S99 PolarHBondContact O-OG 2.78Å
96	R	40	Very low	51.1	Low	115 Å²	115	81 Å²	81	43%	0.434	41%	0.405	S	S	.	.	H	α-helix	trans	-58.3	-37.4	177.8	-75.3	166.7	174.3	172.4	-3.9	112.3	L92 S93 T98 G100	L92-R96 WeakPolarHBondContact O-CB 3.43Å; L92-R96 WeakPolarHBondContact O-CD 3.34Å; L92-R96 WeakPolarHBondContact O-CG 3.41Å; L92-R96 PolarHBondContact O-N 2.71Å; S93-R96 PolarHBondContact O-N 2.78Å; R96-T98 VanDerWaalsContact C-N 3.3Å; R96-T98 PolarHBondContact O-N 3.37Å; R96-G100 VanDerWaalsContact O-CA 3.31Å; R96-G100 WeakPolarHBondContact O-CA 3Å; R96-G100 PolarHBondContact O-N 3.26Å
97	A	41.6	Very low	52.3	Low	69 Å²	69	75.7 Å²	75.7	57%	0.57	38%	0.38	S	S	*	.	H	α-helix	trans	-68.6	-25.3	177.3	0	0	0	0	0	113.6	S93 D94 V95	S93-A97 VanDerWaalsContact O-CB 3.32Å; S93-A97 WeakPolarHBondContact O-CB 3.18Å; S93-A97 PolarHBondContact O-N 3.05Å; D94-A97 PolarHBondContact O-N 3.44Å; V95-A97 VanDerWaalsContact C-N 3.27Å; V95-A97 PolarHBondContact O-N 2.96Å
98	T	41.1	Very low	53.8	Low	77 Å²	77	72.5 Å²	72.5	47%	0.472	37%	0.369	S	S	.	.	H	α-helix	trans	-115.1	-23.6	-170.5	59.8	0	0	0	0	115.2	R60 D94 V95 R96	R60-T98 PolarHBondContact NH1-OG1 3.02Å; R60-T98 VanDerWaalsContact NH2-CB 3.3Å; R60-T98 PolarHBondContact NH2-OG1 3.2Å; D94-T98 WeakPolarHBondContact O-CB 3.25Å; D94-T98 VanDerWaalsContact O-CG2 3.28Å; D94-T98 WeakPolarHBondContact O-CG2 3.38Å; D94-T98 PolarHBondContact O-N 2.99Å; D94-T98 VanDerWaalsContact O-N 3.08Å; D94-T98 PolarHBondContact O-OG1 2.93Å; V95-T98 PolarHBondContact O-N 2.97Å; V95-T98 PolarHBondContact O-OG1 2.94Å; R96-T98 VanDerWaalsContact C-N 3.3Å; R96-T98 PolarHBondContact O-N 3.37Å
99	S	43.6	Very low	55.3	Low	74 Å²	74	69.4 Å²	69.4	52%	0.517	36%	0.357	S	S	.	.	H	α-helix	trans	-94.9	-19.9	168.5	70.8	0	0	0	0	112.5	V95 K101	V95-S99 PolarHBondContact O-N 2.71Å; V95-S99 PolarHBondContact O-OG 2.78Å; S99-K101 VanDerWaalsContact C-N 3.27Å; S99-K101 PolarHBondContact O-N 3.39Å
100	G	43.9	Very low	57	Low	40 Å²	40	70.2 Å²	70.2	41%	0.412	37%	0.365	S	S	.	.			trans	-74.1	63.6	-176.9	0	0	0	0	0	114.9	R96 K102	R96-G100 VanDerWaalsContact O-CA 3.31Å; R96-G100 WeakPolarHBondContact O-CA 3Å; R96-G100 PolarHBondContact O-N 3.26Å; G100-K102 PolarHBondContact O-N 2.93Å
101	K	52.1	Low	58.4	Low	111 Å²	111	64.2 Å²	64.2	48%	0.483	34%	0.337	S	S	.	.			trans	-57.6	109.5	152.6	-153.5	-170.6	-172.7	-157.5	0	105.7	S99 W103 R259	S99-K101 VanDerWaalsContact C-N 3.27Å; S99-K101 PolarHBondContact O-N 3.39Å; K101-W103 PolarHBondContact O-N 2.81Å; K101-R259 PolarHBondContact NZ-O 2.69Å
102	K	58.2	Low	60.3	Low	190 Å²	190	62.2 Å²	62.2	83%	0.826	33%	0.327	S	S	*	.			trans	-69.7	85.5	-178.6	-79.2	-159.9	173.8	-164.5	0	109.9	G100 L104	G100-K102 PolarHBondContact O-N 2.93Å; K102-L104 PolarHBondContact O-N 2.89Å; K102-L104 VanDerWaalsContact O-N 3.09Å
103	W	64.6	Low	62.3	Low	44 Å²	44	66.3 Å²	66.3	17%	0.167	34%	0.344	C	S	.	.			trans	-48.2	114.3	176.6	-74.5	85.5	0	0	0	109.8	K101 E107 L108 L111 I260 T268	K101-W103 PolarHBondContact O-N 2.81Å; W103-E107 WeakPolarHBondContact CA-OE2 3.16Å; W103-E107 HydrophobicContact CE3-CB 3.64Å; W103-E107 HydrophobicContact CZ3-CB 4.14Å; W103-L108 HydrophobicContact CB-CD1 4.37Å; W103-L108 HydrophobicContact CB-CD2 3.73Å; W103-L108 HydrophobicContact CB-CG 3.91Å; W103-L108 HydrophobicContact CD2-CD2 3.91Å; W103-L108 HydrophobicContact CE3-CD2 3.76Å; W103-L108 HydrophobicContact CE3-CG 4.45Å; W103-L108 HydrophobicContact CG-CD2 3.93Å; W103-L111 HydrophobicContact CH2-CD2 3.74Å; W103-L111 HydrophobicContact CZ3-CB 4.3Å; W103-L111 HydrophobicContact CZ3-CD2 3.96Å; W103-I260 HydrophobicContact CH2-CB 4.41Å; W103-I260 HydrophobicContact CH2-CD1 3.63Å; W103-I260 HydrophobicContact CH2-CG1 3.74Å; W103-I260 HydrophobicContact CH2-CG2 3.73Å; W103-I260 HydrophobicContact CZ2-CG1 4.45Å; W103-I260 HydrophobicContact CZ2-CG2 4.18Å; W103-I260 HydrophobicContact CZ3-CD1 3.63Å; W103-I260 HydrophobicContact CZ3-CG1 4.12Å; W103-T268 HydrophobicContact CD2-CG2 4.13Å; W103-T268 HydrophobicContact CH2-CG2 4.39Å; W103-T268 HydrophobicContact CZ2-CG2 3.9Å; W103-T268 VanDerWaalsContact CZ2-OG1 3.28Å; W103-T268 WeakPolarHBondContact CZ2-OG1 3.24Å; W103-T268 PolarHBondContact NE1-OG1 3.37Å
104	L	70.3	Confident	64.2	Low	109 Å²	109	65.3 Å²	65.3	57%	0.571	34%	0.338	S	S	*	.			trans	-64.9	143.9	172	-62.5	172.5	0	0	0	107.9	K102 K106 E107 L108	K102-L104 PolarHBondContact O-N 2.89Å; K102-L104 VanDerWaalsContact O-N 3.09Å; L104-K106 CarbonylContact O-C 3.16Å; L104-K106 PolarHBondContact O-N 2.84Å; L104-E107 HydrophobicContact CB-CG 4.23Å; L104-E107 WeakPolarHBondContact CB-OE2 3.48Å; L104-E107 PolarHBondContact N-OE2 3.34Å; L104-E107 WeakPolarHBondContact O-CA 3.4Å; L104-E107 WeakPolarHBondContact O-CB 3.33Å; L104-E107 PolarHBondContact O-N 3.34Å; L104-L108 PolarHBondContact O-N 2.87Å; L104-L108 VanDerWaalsContact O-N 3.14Å
105	K	76	Confident	66.2	Low	74 Å²	74	63.3 Å²	63.3	32%	0.322	33%	0.327	S	S	.	.	H	α-helix	trans	-53.3	-24	174.1	-175	164.6	-176.4	166.9	0	112.8	I109 S192 A195 S196	K105-I109 HydrophobicContact CG-CD1 3.88Å; K105-I109 HydrophobicContact CG-CG1 4.29Å; K105-I109 VanDerWaalsContact O-CB 3.27Å; K105-I109 WeakPolarHBondContact O-CB 3.31Å; K105-I109 WeakPolarHBondContact O-CD1 3.38Å; K105-I109 WeakPolarHBondContact O-CG1 3.42Å; K105-I109 PolarHBondContact O-N 3.48Å; K105-S192 WeakPolarHBondContact CE-O 3.32Å; K105-S192 PolarHBondContact NZ-O 3.04Å; K105-A195 HydrophobicContact CD-CB 4.49Å; K105-A195 HydrophobicContact CG-CB 4.06Å; K105-S196 VanDerWaalsContact NZ-CB 3.3Å; K105-S196 PolarHBondContact NZ-OG 2.98Å
106	K	76.6	Confident	68.1	Low	175 Å²	175	61.7 Å²	61.7	76%	0.761	32%	0.317	S	S	*	.	H	α-helix	trans	-66.2	-41.8	170.8	-68.4	-178.1	-179.3	175.5	0	113.7	L104 S110	L104-K106 CarbonylContact O-C 3.16Å; L104-K106 PolarHBondContact O-N 2.84Å; K106-S110 WeakPolarHBondContact O-CB 3.33Å; K106-S110 PolarHBondContact O-N 3.49Å; K106-S110 VanDerWaalsContact O-N 3.14Å
107	E	75.3	Confident	70.2	Confident	23 Å²	23	61.3 Å²	61.3	11%	0.107	32%	0.318	C	S	.	.	H	α-helix	trans	-69.4	-41.8	177.6	-64	169.1	129.5	0	0	110.1	W103 L104 S110 L111 T258	W103-E107 WeakPolarHBondContact CA-OE2 3.16Å; W103-E107 HydrophobicContact CE3-CB 3.64Å; W103-E107 HydrophobicContact CZ3-CB 4.14Å; L104-E107 HydrophobicContact CB-CG 4.23Å; L104-E107 WeakPolarHBondContact CB-OE2 3.48Å; L104-E107 PolarHBondContact N-OE2 3.34Å; L104-E107 WeakPolarHBondContact O-CA 3.4Å; L104-E107 WeakPolarHBondContact O-CB 3.33Å; L104-E107 PolarHBondContact O-N 3.34Å; E107-S110 WeakPolarHBondContact O-CA 3.33Å; E107-S110 VanDerWaalsContact O-CB 3.29Å; E107-S110 WeakPolarHBondContact O-CB 3.3Å; E107-S110 PolarHBondContact O-N 3.37Å; E107-S110 VanDerWaalsContact O-N 3.09Å; E107-L111 PolarHBondContact O-N 3.37Å; E107-T258 HydrophobicContact CG-CG2 4.02Å; E107-T258 WeakPolarHBondContact OE1-CG2 3.41Å
108	L	79.6	Confident	72.2	Confident	3 Å²	3	58.6 Å²	58.6	2%	0.016	30%	0.295	C	S	.	.	H	α-helix	trans	-64	-43.7	174.3	-60.6	176	0	0	0	112.9	W103 L104 S110 L111 I112 A195 A198 T268 L273	W103-L108 HydrophobicContact CB-CD1 4.37Å; W103-L108 HydrophobicContact CB-CD2 3.73Å; W103-L108 HydrophobicContact CB-CG 3.91Å; W103-L108 HydrophobicContact CD2-CD2 3.91Å; W103-L108 HydrophobicContact CE3-CD2 3.76Å; W103-L108 HydrophobicContact CE3-CG 4.45Å; W103-L108 HydrophobicContact CG-CD2 3.93Å; L104-L108 PolarHBondContact O-N 2.87Å; L104-L108 VanDerWaalsContact O-N 3.14Å; L108-S110 PolarHBondContact O-N 3.37Å; L108-L111 PolarHBondContact O-N 3.49Å; L108-I112 WeakPolarHBondContact O-CD1 3.14Å; L108-I112 VanDerWaalsContact O-CG1 3.28Å; L108-I112 WeakPolarHBondContact O-CG1 3.42Å; L108-I112 PolarHBondContact O-N 3.1Å; L108-A195 HydrophobicContact CB-CB 4.11Å; L108-A198 HydrophobicContact CD1-CB 4.1Å; L108-T268 HydrophobicContact CD2-CG2 3.95Å; L108-L273 HydrophobicContact CB-CD2 4.35Å; L108-L273 HydrophobicContact CD2-CD1 4.18Å; L108-L273 HydrophobicContact CD2-CD2 4.25Å; L108-L273 HydrophobicContact CD2-CG 4.49Å
109	I	82.3	Confident	74.4	Confident	48 Å²	48	54.9 Å²	54.9	25%	0.246	27%	0.273	C	S	.	.	H	α-helix	trans	-61.5	-24.4	173	-76.2	171.1	0	0	0	112	K105 K113 I191 A195	K105-I109 HydrophobicContact CG-CD1 3.88Å; K105-I109 HydrophobicContact CG-CG1 4.29Å; K105-I109 VanDerWaalsContact O-CB 3.27Å; K105-I109 WeakPolarHBondContact O-CB 3.31Å; K105-I109 WeakPolarHBondContact O-CD1 3.38Å; K105-I109 WeakPolarHBondContact O-CG1 3.42Å; K105-I109 PolarHBondContact O-N 3.48Å; I109-K113 WeakPolarHBondContact O-CD 3.49Å; I109-K113 WeakPolarHBondContact O-CG 3.21Å; I109-I191 HydrophobicContact CB-CG2 4.32Å; I109-I191 HydrophobicContact CG1-CG2 4.26Å; I109-I191 HydrophobicContact CG2-CG2 4.05Å; I109-A195 HydrophobicContact CD1-CB 4.42Å; I109-A195 HydrophobicContact CG1-CB 3.57Å
110	S	81.6	Confident	76.3	Confident	40 Å²	40	52.7 Å²	52.7	28%	0.28	25%	0.253	S	S	.	.	H	α-helix	trans	-79	-53.2	175.9	-137.7	0	0	0	0	109.2	K106 E107 L108 I112 K113 S114 E255	K106-S110 WeakPolarHBondContact O-CB 3.33Å; K106-S110 PolarHBondContact O-N 3.49Å; K106-S110 VanDerWaalsContact O-N 3.14Å; E107-S110 WeakPolarHBondContact O-CA 3.33Å; E107-S110 VanDerWaalsContact O-CB 3.29Å; E107-S110 WeakPolarHBondContact O-CB 3.3Å; E107-S110 PolarHBondContact O-N 3.37Å; E107-S110 VanDerWaalsContact O-N 3.09Å; L108-S110 PolarHBondContact O-N 3.37Å; S110-I112 VanDerWaalsContact C-N 3.31Å; S110-I112 PolarHBondContact O-N 2.93Å; S110-K113 WeakPolarHBondContact O-CA 3.4Å; S110-K113 WeakPolarHBondContact O-CB 3.47Å; S110-K113 PolarHBondContact O-N 2.89Å; S110-S114 PolarHBondContact O-N 2.99Å; S110-S114 VanDerWaalsContact O-N 3.15Å; S110-E255 WeakPolarHBondContact CA-OE2 3.34Å; S110-E255 VanDerWaalsContact CB-CD 3.49Å; S110-E255 VanDerWaalsContact CB-OE1 3.24Å; S110-E255 WeakPolarHBondContact CB-OE1 3.39Å; S110-E255 WeakPolarHBondContact CB-OE2 3.5Å; S110-E255 VanDerWaalsContact OG-CD 3.22Å; S110-E255 PolarHBondContact OG-OE1 3.33Å; S110-E255 PolarHBondContact OG-OE2 3.35Å
111	L	82.2	Confident	78.3	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-59.1	-38.7	-178.1	180	58.3	0	0	0	112.7	W103 E107 L108 K113 S114 V115 I251 E255 A265 T268 L273	W103-L111 HydrophobicContact CH2-CD2 3.74Å; W103-L111 HydrophobicContact CZ3-CB 4.3Å; W103-L111 HydrophobicContact CZ3-CD2 3.96Å; E107-L111 PolarHBondContact O-N 3.37Å; L108-L111 PolarHBondContact O-N 3.49Å; L111-K113 PolarHBondContact O-N 3.28Å; L111-S114 PolarHBondContact O-N 2.79Å; L111-S114 PolarHBondContact O-OG 3.14Å; L111-S114 VanDerWaalsContact O-OG 3.1Å; L111-V115 HydrophobicContact CD1-CG2 4.02Å; L111-V115 HydrophobicContact CG-CG2 4.45Å; L111-V115 WeakPolarHBondContact O-CB 3.44Å; L111-V115 VanDerWaalsContact O-CG2 3.27Å; L111-V115 WeakPolarHBondContact O-CG2 3.41Å; L111-V115 PolarHBondContact O-N 2.83Å; L111-V115 VanDerWaalsContact O-N 3.08Å; L111-I251 HydrophobicContact CD1-CG2 3.69Å; L111-E255 WeakPolarHBondContact CA-OE2 3.39Å; L111-E255 PolarHBondContact N-OE2 2.79Å; L111-A265 HydrophobicContact CD1-CB 4.08Å; L111-T268 HydrophobicContact CD2-CG2 4.14Å; L111-L273 HydrophobicContact CB-CD1 4.37Å; L111-L273 HydrophobicContact CD2-CD1 3.66Å; L111-L273 HydrophobicContact CG-CD1 4.04Å
112	I	83.9	Confident	79.9	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57.5	-37.9	173.5	-65.4	159.9	0	0	0	111.1	L108 S110 S116 I191 L194 A195 W269 L273	L108-I112 WeakPolarHBondContact O-CD1 3.14Å; L108-I112 VanDerWaalsContact O-CG1 3.28Å; L108-I112 WeakPolarHBondContact O-CG1 3.42Å; L108-I112 PolarHBondContact O-N 3.1Å; S110-I112 VanDerWaalsContact C-N 3.31Å; S110-I112 PolarHBondContact O-N 2.93Å; I112-S116 WeakPolarHBondContact O-CB 3.36Å; I112-S116 PolarHBondContact O-N 2.86Å; I112-S116 PolarHBondContact O-OG 3.05Å; I112-I191 HydrophobicContact CB-CG2 4.12Å; I112-I191 HydrophobicContact CD1-CG2 4.11Å; I112-I191 WeakPolarHBondContact CD1-O 3.46Å; I112-I191 HydrophobicContact CG2-CB 4.4Å; I112-I191 HydrophobicContact CG2-CG1 4.18Å; I112-I191 HydrophobicContact CG2-CG2 3.98Å; I112-L194 HydrophobicContact CD1-CB 3.87Å; I112-A195 HydrophobicContact CD1-CB 3.83Å; I112-W269 HydrophobicContact CG1-CZ3 4.34Å; I112-L273 HydrophobicContact CD1-CD2 3.98Å; I112-L273 HydrophobicContact CG1-CD1 4.4Å; I112-L273 HydrophobicContact CG1-CD2 3.97Å
113	K	84.5	Confident	81.2	Confident	94 Å²	94	47.4 Å²	47.4	41%	0.409	22%	0.221	S	C	.	.	H	α-helix	trans	-77	-39.9	-177.7	-68.1	170.1	-176.7	177.7	0	113.4	I109 S110 L111 S116 K117 I191	I109-K113 WeakPolarHBondContact O-CD 3.49Å; I109-K113 WeakPolarHBondContact O-CG 3.21Å; S110-K113 WeakPolarHBondContact O-CA 3.4Å; S110-K113 WeakPolarHBondContact O-CB 3.47Å; S110-K113 PolarHBondContact O-N 2.89Å; L111-K113 PolarHBondContact O-N 3.28Å; K113-S116 PolarHBondContact O-N 3.03Å; K113-K117 WeakPolarHBondContact O-CB 3.38Å; K113-K117 PolarHBondContact O-N 3.23Å; K113-I191 HydrophobicContact CG-CD1 3.99Å
114	S	82.3	Confident	82.2	Confident	7 Å²	7	46.3 Å²	46.3	5%	0.049	22%	0.218	C	C	.	.	H	α-helix	trans	-64.5	-44.6	176.3	48.7	0	0	0	0	110.2	S110 L111 K117 C118 E255	S110-S114 PolarHBondContact O-N 2.99Å; S110-S114 VanDerWaalsContact O-N 3.15Å; L111-S114 PolarHBondContact O-N 2.79Å; L111-S114 PolarHBondContact O-OG 3.14Å; L111-S114 VanDerWaalsContact O-OG 3.1Å; S114-K117 PolarHBondContact O-N 3.38Å; S114-C118 WeakPolarHBondContact O-CB 2.97Å; S114-C118 PolarHBondContact O-N 3.21Å; S114-E255 WeakPolarHBondContact OG-CG 3.5Å
115	V	84.6	Confident	83	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-57.5	-53.3	169.9	174.3	0	0	0	0	111.1	L111 K117 C118 V119 I243 W248 I251 W269	L111-V115 HydrophobicContact CD1-CG2 4.02Å; L111-V115 HydrophobicContact CG-CG2 4.45Å; L111-V115 WeakPolarHBondContact O-CB 3.44Å; L111-V115 VanDerWaalsContact O-CG2 3.27Å; L111-V115 WeakPolarHBondContact O-CG2 3.41Å; L111-V115 PolarHBondContact O-N 2.83Å; L111-V115 VanDerWaalsContact O-N 3.08Å; V115-K117 VanDerWaalsContact C-N 3.26Å; V115-K117 PolarHBondContact O-N 3.05Å; V115-C118 PolarHBondContact O-N 3.15Å; V115-C118 VanDerWaalsContact O-N 3.07Å; V115-V119 HydrophobicContact CG1-CG2 3.93Å; V115-V119 VanDerWaalsContact O-CG2 3.32Å; V115-V119 WeakPolarHBondContact O-CG2 3.16Å; V115-V119 PolarHBondContact O-N 3.16Å; V115-I243 HydrophobicContact CG1-CD1 3.83Å; V115-W248 HydrophobicContact CG2-CH2 3.98Å; V115-W248 HydrophobicContact CG2-CZ3 3.98Å; V115-I251 HydrophobicContact CG2-CD1 4.2Å; V115-I251 HydrophobicContact CG2-CG2 3.89Å; V115-W269 HydrophobicContact CB-CE3 4.2Å; V115-W269 HydrophobicContact CB-CH2 4.36Å; V115-W269 HydrophobicContact CB-CZ3 4.06Å; V115-W269 HydrophobicContact CG1-CD2 4.05Å; V115-W269 HydrophobicContact CG1-CE3 4.01Å; V115-W269 HydrophobicContact CG1-CH2 3.69Å; V115-W269 HydrophobicContact CG1-CZ2 3.69Å; V115-W269 HydrophobicContact CG1-CZ3 3.84Å; V115-W269 HydrophobicContact CG2-CD2 4.23Å; V115-W269 HydrophobicContact CG2-CE3 3.91Å; V115-W269 HydrophobicContact CG2-CZ3 4.27Å
116	S	85.4	Confident	83.6	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.007	21%	0.211	C	C	.	.	H	α-helix	trans	-56.9	-36.6	-179.1	-61.9	0	0	0	0	113.6	I112 K113 R120 P186 W232	I112-S116 WeakPolarHBondContact O-CB 3.36Å; I112-S116 PolarHBondContact O-N 2.86Å; I112-S116 PolarHBondContact O-OG 3.05Å; K113-S116 PolarHBondContact O-N 3.03Å; S116-R120 WeakPolarHBondContact O-CB 3.43Å; S116-R120 PolarHBondContact O-N 2.91Å; S116-P186 VanDerWaalsContact CB-CG 3.47Å; S116-P186 WeakPolarHBondContact OG-CG 3.22Å; S116-W232 WeakPolarHBondContact O-CH2 3.39Å
117	K	84.4	Confident	84.1	Confident	106 Å²	106	37 Å²	37	46%	0.461	18%	0.178	S	C	.	.	H	α-helix	trans	-70.8	-46.5	176	-168.1	-157	172.2	-154	0	111	K113 S114 V115 R120 N121	K113-K117 WeakPolarHBondContact O-CB 3.38Å; K113-K117 PolarHBondContact O-N 3.23Å; S114-K117 PolarHBondContact O-N 3.38Å; V115-K117 VanDerWaalsContact C-N 3.26Å; V115-K117 PolarHBondContact O-N 3.05Å; K117-R120 PolarHBondContact O-N 3.17Å; K117-N121 WeakPolarHBondContact O-CB 3.47Å; K117-N121 PolarHBondContact O-N 2.56Å; K117-N121 PolarHBondContact O-OD1 3.15Å
118	C	84.7	Confident	84.8	Confident	12 Å²	12	39.4 Å²	39.4	8%	0.081	19%	0.189	C	C	.	.	H	α-helix	trans	-59.5	-53	179	177.8	0	0	0	0	111.3	S114 V115 R120 N121 R122 I251	S114-C118 WeakPolarHBondContact O-CB 2.97Å; S114-C118 PolarHBondContact O-N 3.21Å; V115-C118 PolarHBondContact O-N 3.15Å; V115-C118 VanDerWaalsContact O-N 3.07Å; C118-R120 PolarHBondContact O-N 2.9Å; C118-N121 PolarHBondContact O-N 2.63Å; C118-R122 WeakPolarHBondContact O-CB 3.45Å; C118-R122 PolarHBondContact O-N 3.38Å; C118-I251 HydrophobicContact CB-CD1 4.03Å; C118-I251 HydrophobicContact CB-CG1 3.84Å
119	V	85.9	Confident	85.2	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-56	-47.6	178.7	179.4	0	0	0	0	111.4	V115 R122 Q123 L235 A239 I242 I243	V115-V119 HydrophobicContact CG1-CG2 3.93Å; V115-V119 VanDerWaalsContact O-CG2 3.32Å; V115-V119 WeakPolarHBondContact O-CG2 3.16Å; V115-V119 PolarHBondContact O-N 3.16Å; V119-R122 PolarHBondContact O-N 3.27Å; V119-Q123 VanDerWaalsContact O-CB 3.24Å; V119-Q123 WeakPolarHBondContact O-CB 3.48Å; V119-Q123 PolarHBondContact O-N 2.9Å; V119-L235 HydrophobicContact CG1-CD1 3.71Å; V119-L235 HydrophobicContact CG1-CG 3.74Å; V119-L235 WeakPolarHBondContact CG1-O 3.36Å; V119-A239 HydrophobicContact CG1-CB 4.49Å; V119-A239 HydrophobicContact CG2-CB 3.69Å; V119-I242 HydrophobicContact CG1-CB 4.38Å; V119-I242 HydrophobicContact CG1-CD1 3.79Å; V119-I242 HydrophobicContact CG1-CG2 4.13Å; V119-I243 HydrophobicContact CG2-CD1 3.55Å; V119-I243 HydrophobicContact CG2-CG1 3.65Å
120	R	84.5	Confident	85.5	Confident	27 Å²	27	45.7 Å²	45.7	10%	0.102	22%	0.215	C	C	.	.	H	α-helix	trans	-62.9	-46.3	179.6	-176.5	178.4	176.2	-164.9	-6.8	112	S116 K117 C118 R122 Q123 I124 T179 H180 M182 S183 W232 L235	S116-R120 WeakPolarHBondContact O-CB 3.43Å; S116-R120 PolarHBondContact O-N 2.91Å; K117-R120 PolarHBondContact O-N 3.17Å; C118-R120 PolarHBondContact O-N 2.9Å; R120-R122 VanDerWaalsContact C-N 3.33Å; R120-R122 PolarHBondContact O-N 3.26Å; R120-Q123 PolarHBondContact O-N 2.95Å; R120-I124 HydrophobicContact CG-CD1 4.08Å; R120-I124 WeakPolarHBondContact O-CG1 3.26Å; R120-I124 PolarHBondContact O-N 3.23Å; R120-T179 PolarHBondContact NE-O 2.71Å; R120-T179 PolarHBondContact NH2-O 3.14Å; R120-H180 VanDerWaalsContact NH2-C 3.28Å; R120-H180 PolarHBondContact NH2-O 2.98Å; R120-M182 PolarHBondContact NH1-O 3.27Å; R120-M182 PolarHBondContact NH2-O 3.02Å; R120-M182 VanDerWaalsContact NH2-O 3.14Å; R120-S183 PolarHBondContact NH1-O 3.22Å; R120-W232 HydrophobicContact CB-CH2 4.13Å; R120-L235 HydrophobicContact CB-CD2 4.28Å
121	N	85	Confident	85.8	Confident	94 Å²	94	48.3 Å²	48.3	50%	0.503	22%	0.219	S	C	.	.	H	α-helix	trans	-60.6	-43.7	177.9	-81.8	39.7	0	0	0	111.4	K117 C118 I124 Q125	K117-N121 WeakPolarHBondContact O-CB 3.47Å; K117-N121 PolarHBondContact O-N 2.56Å; K117-N121 PolarHBondContact O-OD1 3.15Å; C118-N121 PolarHBondContact O-N 2.63Å; N121-I124 PolarHBondContact O-N 2.71Å; N121-Q125 PolarHBondContact O-N 2.87Å
122	R	85.1	Confident	86.1	Confident	97 Å²	97	53.4 Å²	53.4	37%	0.366	24%	0.242	S	C	.	.	H	α-helix	trans	-72.4	-34	-178.5	-165.8	60.5	173.4	141.4	1	112.5	C118 V119 R120 Q125 I126 I242	C118-R122 WeakPolarHBondContact O-CB 3.45Å; C118-R122 PolarHBondContact O-N 3.38Å; V119-R122 PolarHBondContact O-N 3.27Å; R120-R122 VanDerWaalsContact C-N 3.33Å; R120-R122 PolarHBondContact O-N 3.26Å; R122-Q125 PolarHBondContact O-N 3.36Å; R122-I126 HydrophobicContact CG-CD1 4.18Å; R122-I126 WeakPolarHBondContact O-CD1 3.35Å; R122-I126 VanDerWaalsContact O-CG1 3.24Å; R122-I126 WeakPolarHBondContact O-CG1 3.47Å; R122-I126 PolarHBondContact O-N 2.64Å; R122-I242 HydrophobicContact CB-CG2 3.79Å; R122-I242 HydrophobicContact CG-CG2 3.93Å; R122-I242 WeakPolarHBondContact CG-O 3.25Å
123	Q	86.1	Confident	86.4	Confident	39 Å²	39	58 Å²	58	18%	0.182	27%	0.266	C	S	.	.	H	α-helix	trans	-65.2	-38.1	171.9	-177.4	61.5	59.5	0	0	112.5	V119 R120 L127 T179 L235	V119-Q123 VanDerWaalsContact O-CB 3.24Å; V119-Q123 WeakPolarHBondContact O-CB 3.48Å; V119-Q123 PolarHBondContact O-N 2.9Å; R120-Q123 PolarHBondContact O-N 2.95Å; Q123-L127 HydrophobicContact CG-CD1 4.23Å; Q123-L127 WeakPolarHBondContact O-CD1 3.25Å; Q123-L127 VanDerWaalsContact O-CG 3.31Å; Q123-L127 WeakPolarHBondContact O-CG 3.42Å; Q123-L127 PolarHBondContact O-N 3.12Å; Q123-T179 HydrophobicContact CG-CG2 4.15Å; Q123-L235 HydrophobicContact CB-CD1 4.03Å; Q123-L235 HydrophobicContact CG-CD1 3.9Å
124	I	86.6	Confident	86.5	Confident	22 Å²	22	53.6 Å²	53.6	11%	0.113	25%	0.247	C	C	.	.	H	α-helix	trans	-63.4	-51.5	173.2	-72.2	167.2	0	0	0	109.4	R120 N121 I126 L127 E128	R120-I124 HydrophobicContact CG-CD1 4.08Å; R120-I124 WeakPolarHBondContact O-CG1 3.26Å; R120-I124 PolarHBondContact O-N 3.23Å; N121-I124 PolarHBondContact O-N 2.71Å; I124-I126 VanDerWaalsContact C-N 3.34Å; I124-I126 PolarHBondContact O-N 2.92Å; I124-L127 PolarHBondContact O-N 2.82Å; I124-E128 VanDerWaalsContact CG2-CD 3.48Å; I124-E128 HydrophobicContact CG2-CG 4.2Å; I124-E128 WeakPolarHBondContact CG2-OE1 3.36Å; I124-E128 WeakPolarHBondContact O-CG 3.48Å; I124-E128 PolarHBondContact O-N 3.12Å
125	Q	86.9	Confident	86.6	Confident	83 Å²	83	56.9 Å²	56.9	39%	0.388	26%	0.264	S	S	.	.	H	α-helix	trans	-54.2	-46.8	176.8	-170.4	71.9	62.7	0	0	112.2	N121 R122 L127 E128 D129	N121-Q125 PolarHBondContact O-N 2.87Å; R122-Q125 PolarHBondContact O-N 3.36Å; Q125-L127 VanDerWaalsContact C-N 3.26Å; Q125-L127 PolarHBondContact O-N 2.86Å; Q125-E128 PolarHBondContact O-N 2.75Å; Q125-D129 PolarHBondContact NE2-OD1 3.06Å; Q125-D129 WeakPolarHBondContact O-CB 3.31Å; Q125-D129 PolarHBondContact O-N 3.04Å
126	I	88.1	Confident	86.7	Confident	68 Å²	68	62.6 Å²	62.6	35%	0.349	29%	0.289	S	S	.	.	H	α-helix	trans	-61.8	-33.3	179.2	-70.6	163.4	0	0	0	112.2	R122 I124 R130 I242	R122-I126 HydrophobicContact CG-CD1 4.18Å; R122-I126 WeakPolarHBondContact O-CD1 3.35Å; R122-I126 VanDerWaalsContact O-CG1 3.24Å; R122-I126 WeakPolarHBondContact O-CG1 3.47Å; R122-I126 PolarHBondContact O-N 2.64Å; I124-I126 VanDerWaalsContact C-N 3.34Å; I124-I126 PolarHBondContact O-N 2.92Å; I126-R130 WeakPolarHBondContact O-CB 3.4Å; I126-R130 PolarHBondContact O-N 2.68Å; I126-R130 VanDerWaalsContact O-N 3.11Å; I126-I242 HydrophobicContact CD1-CG2 4.36Å
127	L	87.8	Confident	86.7	Confident	12 Å²	12	67.2 Å²	67.2	6%	0.063	31%	0.309	C	S	.	.	H	α-helix	trans	-78.9	-35	176.3	-69.1	167	0	0	0	112.1	Q123 I124 Q125 R131 K175 L176 T179	Q123-L127 HydrophobicContact CG-CD1 4.23Å; Q123-L127 WeakPolarHBondContact O-CD1 3.25Å; Q123-L127 VanDerWaalsContact O-CG 3.31Å; Q123-L127 WeakPolarHBondContact O-CG 3.42Å; Q123-L127 PolarHBondContact O-N 3.12Å; I124-L127 PolarHBondContact O-N 2.82Å; Q125-L127 VanDerWaalsContact C-N 3.26Å; Q125-L127 PolarHBondContact O-N 2.86Å; L127-R131 WeakPolarHBondContact O-CB 3.33Å; L127-R131 PolarHBondContact O-N 2.71Å; L127-K175 HydrophobicContact CD1-CB 4.11Å; L127-K175 HydrophobicContact CD2-CB 4Å; L127-L176 HydrophobicContact CB-CB 4.26Å; L127-L176 HydrophobicContact CB-CD1 4.17Å; L127-T179 HydrophobicContact CD1-CG2 4.26Å
128	E	88.4	Confident	86.6	Confident	73 Å²	73	63.1 Å²	63.1	34%	0.341	29%	0.293	S	S	.	.	H	α-helix	trans	-65.5	-48.5	172.5	-71.3	170.6	156.4	0	0	110.8	I124 Q125 R130 R131 E132 L176	I124-E128 VanDerWaalsContact CG2-CD 3.48Å; I124-E128 HydrophobicContact CG2-CG 4.2Å; I124-E128 WeakPolarHBondContact CG2-OE1 3.36Å; I124-E128 WeakPolarHBondContact O-CG 3.48Å; I124-E128 PolarHBondContact O-N 3.12Å; Q125-E128 PolarHBondContact O-N 2.75Å; E128-R130 PolarHBondContact O-N 2.98Å; E128-R131 WeakPolarHBondContact O-CB 3.11Å; E128-R131 PolarHBondContact O-N 3.29Å; E128-E132 PolarHBondContact O-N 2.86Å; E128-L176 HydrophobicContact CG-CD1 3.68Å
129	D	88.2	Confident	86.4	Confident	76 Å²	76	65.4 Å²	65.4	41%	0.406	31%	0.308	S	S	.	.	H	α-helix	trans	-57.5	-45.5	175.1	-62.5	-13.6	0	0	0	111	Q125 L133	Q125-D129 PolarHBondContact NE2-OD1 3.06Å; Q125-D129 WeakPolarHBondContact O-CB 3.31Å; Q125-D129 PolarHBondContact O-N 3.04Å; D129-L133 WeakPolarHBondContact O-CB 3.49Å; D129-L133 PolarHBondContact O-N 2.84Å
130	R	89	Confident	86	Confident	106 Å²	106	72.2 Å²	72.2	40%	0.4	34%	0.338	S	S	.	.	H	α-helix	trans	-66.9	-40.2	176.1	-176.5	175.9	-179.4	177	-0.1	111.9	I126 E128 L133 L134 E168	I126-R130 WeakPolarHBondContact O-CB 3.4Å; I126-R130 PolarHBondContact O-N 2.68Å; I126-R130 VanDerWaalsContact O-N 3.11Å; E128-R130 PolarHBondContact O-N 2.98Å; R130-L133 PolarHBondContact O-N 3.05Å; R130-L134 HydrophobicContact CG-CD1 3.97Å; R130-L134 HydrophobicContact CG-CG 4.36Å; R130-L134 WeakPolarHBondContact O-CB 3.36Å; R130-L134 WeakPolarHBondContact O-CG 3.43Å; R130-L134 PolarHBondContact O-N 2.94Å; R130-E168 IonicContact CZ-OE2 2.65Å; R130-E168 IonicContact NE-OE2 3.86Å; R130-E168 IonicContact NH2-OE2 2.8Å; R130-E168 PolarHBondContact NH2-OE2 3.12Å
131	R	89.1	Confident	85.4	Confident	96 Å²	96	72.7 Å²	72.7	36%	0.362	34%	0.344	S	S	.	.	H	α-helix	trans	-62	-45.3	176.7	-179.3	-175.1	-176.9	-116.8	-0.9	111.1	L127 E128 L133 L134 L135 E173	L127-R131 WeakPolarHBondContact O-CB 3.33Å; L127-R131 PolarHBondContact O-N 2.71Å; E128-R131 WeakPolarHBondContact O-CB 3.11Å; E128-R131 PolarHBondContact O-N 3.29Å; R131-L133 PolarHBondContact O-N 3.06Å; R131-L134 PolarHBondContact O-N 3.24Å; R131-L135 HydrophobicContact CG-CD1 4.08Å; R131-L135 WeakPolarHBondContact O-CB 3.18Å; R131-L135 WeakPolarHBondContact O-CG 3.49Å; R131-L135 PolarHBondContact O-N 3.26Å; R131-E173 HydrophobicContact CG-CG 4.34Å; R131-E173 IonicContact CZ-OE1 2.79Å; R131-E173 IonicContact NE-OE1 3.65Å; R131-E173 PolarHBondContact NE-OE1 3.35Å; R131-E173 IonicContact NH2-OE1 3.01Å; R131-E173 PolarHBondContact NH2-OE1 3.03Å
132	E	88.6	Confident	84.4	Confident	108 Å²	108	71 Å²	71	51%	0.505	34%	0.339	S	S	.	.	H	α-helix	trans	-59.6	-44.5	172.9	-86.3	-157.3	-157.7	0	0	112.3	E128 L134 L135 K136	E128-E132 PolarHBondContact O-N 2.86Å; E132-L134 VanDerWaalsContact C-N 3.34Å; E132-L134 PolarHBondContact O-N 2.89Å; E132-L135 PolarHBondContact O-N 2.99Å; E132-K136 WeakPolarHBondContact O-CB 3.39Å; E132-K136 WeakPolarHBondContact O-CD 3.49Å; E132-K136 VanDerWaalsContact O-CG 3.25Å; E132-K136 WeakPolarHBondContact O-CG 3.47Å; E132-K136 PolarHBondContact O-N 3.2Å; E132-K136 IonicContact OE2-NZ 3.44Å; E132-K136 PolarHBondContact OE2-NZ 2.93Å
133	L	88.6	Confident	83.3	Confident	97 Å²	97	75.2 Å²	75.2	51%	0.508	36%	0.36	S	S	.	.	H	α-helix	trans	-65.3	-37.3	179.9	-171.5	148.2	0	0	0	111.9	D129 R130 R131 K136 K137	D129-L133 WeakPolarHBondContact O-CB 3.49Å; D129-L133 PolarHBondContact O-N 2.84Å; R130-L133 PolarHBondContact O-N 3.05Å; R131-L133 PolarHBondContact O-N 3.06Å; L133-K136 PolarHBondContact O-N 2.89Å; L133-K137 HydrophobicContact CD2-CD 4.2Å; L133-K137 WeakPolarHBondContact O-CG 3.34Å; L133-K137 PolarHBondContact O-N 2.76Å
134	L	86.5	Confident	81.7	Confident	1 Å²	1	80.1 Å²	80.1	1%	0.005	38%	0.383	C	S	.	.	H	α-helix	trans	-68.8	-43.7	173	-72	169.4	0	0	0	112	R130 R131 E132 K136 K137 V138 L165 E168 L169 C172	R130-L134 HydrophobicContact CG-CD1 3.97Å; R130-L134 HydrophobicContact CG-CG 4.36Å; R130-L134 WeakPolarHBondContact O-CB 3.36Å; R130-L134 WeakPolarHBondContact O-CG 3.43Å; R130-L134 PolarHBondContact O-N 2.94Å; R131-L134 PolarHBondContact O-N 3.24Å; E132-L134 VanDerWaalsContact C-N 3.34Å; E132-L134 PolarHBondContact O-N 2.89Å; L134-K136 VanDerWaalsContact C-N 3.29Å; L134-K136 PolarHBondContact O-N 3.05Å; L134-K137 HydrophobicContact CD2-CD 4.47Å; L134-K137 WeakPolarHBondContact O-CB 3.46Å; L134-K137 PolarHBondContact O-N 3.01Å; L134-K137 VanDerWaalsContact O-N 3.13Å; L134-V138 WeakPolarHBondContact O-CG2 3.44Å; L134-V138 PolarHBondContact O-N 2.97Å; L134-L165 HydrophobicContact CD2-CD2 4.23Å; L134-E168 HydrophobicContact CD1-CB 4.14Å; L134-E168 HydrophobicContact CD2-CB 4.02Å; L134-L169 HydrophobicContact CB-CB 4.45Å; L134-L169 HydrophobicContact CB-CD1 4.24Å; L134-L169 HydrophobicContact CB-CG 4.47Å; L134-L169 HydrophobicContact CD1-CB 4.44Å; L134-C172 HydrophobicContact CD1-CB 4.05Å
135	L	85.3	Confident	79.4	Confident	77 Å²	77	87.3 Å²	87.3	40%	0.403	42%	0.416	S	S	.	.	H	α-helix	trans	-59.5	-39.7	173	-75.2	166.4	0	0	0	111.9	R131 E132 V138 S139 L169	R131-L135 HydrophobicContact CG-CD1 4.08Å; R131-L135 WeakPolarHBondContact O-CB 3.18Å; R131-L135 WeakPolarHBondContact O-CG 3.49Å; R131-L135 PolarHBondContact O-N 3.26Å; E132-L135 PolarHBondContact O-N 2.99Å; L135-V138 PolarHBondContact O-N 3.43Å; L135-S139 WeakPolarHBondContact O-CB 3.24Å; L135-S139 PolarHBondContact O-N 2.87Å; L135-S139 PolarHBondContact O-OG 3.43Å; L135-L169 HydrophobicContact CD2-CD1 3.8Å; L135-L169 HydrophobicContact CG-CD1 4Å
136	K	86.4	Confident	77.3	Confident	120 Å²	120	89 Å²	89	52%	0.522	43%	0.434	S	S	.	.	H	α-helix	trans	-66.5	-35.1	174.3	-74.9	160.6	177.5	162.1	0	112.4	E132 L133 L134 S139 K140	E132-K136 WeakPolarHBondContact O-CB 3.39Å; E132-K136 WeakPolarHBondContact O-CD 3.49Å; E132-K136 VanDerWaalsContact O-CG 3.25Å; E132-K136 WeakPolarHBondContact O-CG 3.47Å; E132-K136 PolarHBondContact O-N 3.2Å; E132-K136 IonicContact OE2-NZ 3.44Å; E132-K136 PolarHBondContact OE2-NZ 2.93Å; L133-K136 PolarHBondContact O-N 2.89Å; L134-K136 VanDerWaalsContact C-N 3.29Å; L134-K136 PolarHBondContact O-N 3.05Å; K136-S139 PolarHBondContact O-OG 3.23Å; K136-S139 VanDerWaalsContact O-OG 3.1Å; K136-K140 PolarHBondContact O-N 2.71Å
137	K	85.7	Confident	75	Confident	98 Å²	98	91.7 Å²	91.7	43%	0.426	46%	0.459	S	S	.	.	H	α-helix	trans	-66.9	-49.9	171.1	-76.4	179.3	174.6	-175.9	0	111.7	L133 L134 S139 K140 T141 L165	L133-K137 HydrophobicContact CD2-CD 4.2Å; L133-K137 WeakPolarHBondContact O-CG 3.34Å; L133-K137 PolarHBondContact O-N 2.76Å; L134-K137 HydrophobicContact CD2-CD 4.47Å; L134-K137 WeakPolarHBondContact O-CB 3.46Å; L134-K137 PolarHBondContact O-N 3.01Å; L134-K137 VanDerWaalsContact O-N 3.13Å; K137-S139 VanDerWaalsContact C-N 3.29Å; K137-S139 PolarHBondContact O-N 3.05Å; K137-K140 PolarHBondContact O-N 3.32Å; K137-T141 PolarHBondContact O-N 3.28Å; K137-L165 HydrophobicContact CB-CD1 4.36Å; K137-L165 HydrophobicContact CB-CD2 4.26Å; K137-L165 HydrophobicContact CD-CD2 3.8Å
138	V	81.6	Confident	72.8	Confident	20 Å²	20	95.3 Å²	95.3	12%	0.121	49%	0.485	C	S	.	.	H	α-helix	trans	-62.1	-35.6	179.4	173.3	0	0	0	0	111.5	L134 L135 K140 T141 C142 L165 L169	L134-V138 WeakPolarHBondContact O-CG2 3.44Å; L134-V138 PolarHBondContact O-N 2.97Å; L135-V138 PolarHBondContact O-N 3.43Å; V138-K140 VanDerWaalsContact C-N 3.34Å; V138-K140 PolarHBondContact O-N 3.06Å; V138-T141 PolarHBondContact O-N 3.27Å; V138-T141 PolarHBondContact O-OG1 2.95Å; V138-C142 PolarHBondContact O-N 3.18Å; V138-C142 PolarHBondContact O-SG 3.42Å; V138-L165 HydrophobicContact CG2-CB 4.02Å; V138-L169 HydrophobicContact CG2-CD1 4.44Å
139	S	80.3	Confident	70.4	Confident	59 Å²	59	101.9 Å²	101.9	41%	0.413	52%	0.516	S	S	.	.	H	α-helix	trans	-70.3	-26.9	177.7	72.5	0	0	0	0	113.8	L135 K136 K137 K143	L135-S139 WeakPolarHBondContact O-CB 3.24Å; L135-S139 PolarHBondContact O-N 2.87Å; L135-S139 PolarHBondContact O-OG 3.43Å; K136-S139 PolarHBondContact O-OG 3.23Å; K136-S139 VanDerWaalsContact O-OG 3.1Å; K137-S139 VanDerWaalsContact C-N 3.29Å; K137-S139 PolarHBondContact O-N 3.05Å; S139-K143 WeakPolarHBondContact O-CG 3.41Å
140	K	78.2	Confident	67.9	Low	144 Å²	144	102 Å²	102	63%	0.626	53%	0.527	S	S	*	.	H	α-helix	trans	-68.8	-52.1	171.2	-72.6	-172.6	173.6	-161.9	0	111.2	K136 K137 V138 C142 K143 E144	K136-K140 PolarHBondContact O-N 2.71Å; K137-K140 PolarHBondContact O-N 3.32Å; V138-K140 VanDerWaalsContact C-N 3.34Å; V138-K140 PolarHBondContact O-N 3.06Å; K140-C142 PolarHBondContact O-N 3.17Å; K140-K143 PolarHBondContact O-N 3.17Å; K140-E144 PolarHBondContact O-N 2.87Å
141	T	72.6	Confident	65.3	Low	36 Å²	36	100.9 Å²	100.9	22%	0.221	54%	0.535	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	8.8	176.6	60.8	0	0	0	0	114.4	K137 V138 R162	K137-T141 PolarHBondContact O-N 3.28Å; V138-T141 PolarHBondContact O-N 3.27Å; V138-T141 PolarHBondContact O-OG1 2.95Å; T141-R162 PolarHBondContact O-NH1 2.91Å
142	C	63.4	Low	63	Low	60 Å²	60	104.2 Å²	104.2	41%	0.405	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107.5	-14.8	165.9	-66.6	0	0	0	0	113.9	V138 K140 R162	V138-C142 PolarHBondContact O-N 3.18Å; V138-C142 PolarHBondContact O-SG 3.42Å; K140-C142 PolarHBondContact O-N 3.17Å; C142-R162 VanDerWaalsContact SG-CZ 3.59Å; C142-R162 PolarHBondContact SG-NH1 3.07Å; C142-R162 PolarHBondContact SG-NH2 3.34Å
143	K	61.2	Low	61.3	Low	184 Å²	184	102.8 Å²	102.8	80%	0.8	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	-20.3	-179	-75.2	-174.6	174.3	-165	0	113.2	S139 K140 Q145	S139-K143 WeakPolarHBondContact O-CG 3.41Å; K140-K143 PolarHBondContact O-N 3.17Å; K143-Q145 VanDerWaalsContact C-N 3.27Å; K143-Q145 PolarHBondContact O-N 2.62Å
144	E	52.3	Low	59.3	Low	142 Å²	142	102.8 Å²	102.8	66%	0.664	56%	0.562	S	S	*	*			trans	-77.5	74.3	170.8	-70.3	150.3	-161.4	0	0	109.7	K140	K140-E144 PolarHBondContact O-N 2.87Å
145	Q	40.2	Very low	57.3	Low	174 Å²	174	106 Å²	106	81%	0.813	58%	0.584	S	S	*	*			trans	-82.2	126.7	162.4	-81.1	-162.8	-36.3	0	0	109.4	K143 S147	K143-Q145 VanDerWaalsContact C-N 3.27Å; K143-Q145 PolarHBondContact O-N 2.62Å; Q145-S147 PolarHBondContact O-N 2.98Å
146	P	42.6	Very low	55.5	Low	117 Å²	117	107.8 Å²	107.8	76%	0.76	59%	0.593	S	S	*	*			trans	-74.5	106.6	179.2	29.2	-33.1	0	0	0	110.6	S148	P146-S148 PolarHBondContact O-N 3.11Å; P146-S148 VanDerWaalsContact O-N 3.13Å
147	S	38.8	Very low	53.9	Low	126 Å²	126	105 Å²	105	88%	0.881	59%	0.589	S	S	*	*			trans	-85.7	50.8	176.6	63.9	0	0	0	0	112.6	Q145	Q145-S147 PolarHBondContact O-N 2.98Å
148	S	42.7	Very low	52.3	Low	87 Å²	87	103.4 Å²	103.4	61%	0.608	59%	0.589	S	S	*	*	S	Bend	trans	-162.9	143.3	168.7	52.8	0	0	0	0	111.6	P146 A150	P146-S148 PolarHBondContact O-N 3.11Å; P146-S148 VanDerWaalsContact O-N 3.13Å; S148-A150 PolarHBondContact O-N 3.02Å
149	E	37.2	Very low	51.3	Low	212 Å²	212	105.5 Å²	105.5	99%	0.991	60%	0.602	S	S	*	*	S	Bend	trans	-83.4	76.3	179.6	-66	-178.8	122.4	0	0	111.1
150	A	36.3	Very low	50.4	Low	77 Å²	77	108.9 Å²	108.9	64%	0.636	61%	0.612	S	S	*	*			trans	-144.8	154.5	174.3	0	0	0	0	0	112.1	S148	S148-A150 PolarHBondContact O-N 3.02Å
151	C	33.9	Very low	50	Low	84 Å²	84	105.3 Å²	105.3	57%	0.568	60%	0.604	S	S	*	*			trans	55.7	82.2	174.6	-67.5	0	0	0	0	117	S153 D154	C151-S153 PolarHBondContact O-N 3.29Å; C151-S153 VanDerWaalsContact O-N 3.12Å; C151-D154 WeakPolarHBondContact CB-OD2 3.48Å
152	L	41.1	Very low	50	Low	166 Å²	166	108 Å²	108	87%	0.869	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	-15.7	166.5	-73.2	166.5	0	0	0	113.9	S155	L152-S155 PolarHBondContact O-OG 3.19Å
153	S	51.4	Low	50.7	Low	78 Å²	78	111 Å²	111	55%	0.545	62%	0.619	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.6	-41.4	-179.4	45.3	0	0	0	0	114.6	C151 S155 L156	C151-S153 PolarHBondContact O-N 3.29Å; C151-S153 VanDerWaalsContact O-N 3.12Å; S153-S155 PolarHBondContact O-N 2.86Å; S153-L156 PolarHBondContact O-N 3.05Å
154	D	47.4	Very low	51.8	Low	97 Å²	97	105.8 Å²	105.8	52%	0.519	61%	0.606	S	S	.	*	H	α-helix	trans	-74.6	-11.8	-172.4	-67	-55.9	0	0	0	113.4	C151 L156 S157 C158	C151-D154 WeakPolarHBondContact CB-OD2 3.48Å; D154-L156 VanDerWaalsContact C-N 3.26Å; D154-L156 PolarHBondContact O-N 3.11Å; D154-S157 PolarHBondContact O-OG 3.3Å; D154-C158 PolarHBondContact O-N 2.94Å
155	S	45.1	Very low	53.2	Low	67 Å²	67	100.2 Å²	100.2	47%	0.469	58%	0.58	S	S	.	*	H	α-helix	trans	-59.3	-35.6	171.2	68	0	0	0	0	112.6	L152 S153 V159	L152-S155 PolarHBondContact O-OG 3.19Å; S153-S155 PolarHBondContact O-N 2.86Å; S155-V159 WeakPolarHBondContact O-CB 3.38Å; S155-V159 WeakPolarHBondContact O-CG2 3.44Å; S155-V159 PolarHBondContact O-N 3.38Å
156	L	47.4	Very low	55.2	Low	115 Å²	115	95.2 Å²	95.2	60%	0.602	56%	0.559	S	S	*	*	H	α-helix	trans	-72.2	-48.6	-176.3	-86.1	157.5	0	0	0	112.8	S153 D154 C158 V159 E160	S153-L156 PolarHBondContact O-N 3.05Å; D154-L156 VanDerWaalsContact C-N 3.26Å; D154-L156 PolarHBondContact O-N 3.11Å; L156-C158 VanDerWaalsContact C-N 3.3Å; L156-C158 PolarHBondContact O-N 2.79Å; L156-V159 PolarHBondContact O-N 3.19Å; L156-V159 VanDerWaalsContact O-N 3.12Å; L156-E160 WeakPolarHBondContact O-CG 3.19Å; L156-E160 PolarHBondContact O-N 3.09Å
157	S	53.6	Low	57.2	Low	63 Å²	63	92.2 Å²	92.2	44%	0.441	54%	0.544	S	S	.	.	H	α-helix	trans	-64.6	-35.4	-179.4	61.8	0	0	0	0	112.2	D154 S161	D154-S157 PolarHBondContact O-OG 3.3Å; S157-S161 VanDerWaalsContact O-CB 3.31Å; S157-S161 WeakPolarHBondContact O-CB 3.4Å; S157-S161 PolarHBondContact O-N 2.96Å; S157-S161 PolarHBondContact O-OG 3.32Å
158	C	51.5	Low	59.5	Low	63 Å²	63	89.3 Å²	89.3	43%	0.426	52%	0.516	S	S	.	.	H	α-helix	trans	-66	-43.1	171.9	-175.1	0	0	0	0	111.8	D154 L156 S161 R162	D154-C158 PolarHBondContact O-N 2.94Å; L156-C158 VanDerWaalsContact C-N 3.3Å; L156-C158 PolarHBondContact O-N 2.79Å; C158-S161 PolarHBondContact O-N 2.85Å; C158-R162 VanDerWaalsContact O-CB 3.24Å; C158-R162 WeakPolarHBondContact O-CB 3.44Å; C158-R162 PolarHBondContact O-N 3.39Å
159	V	59.7	Low	61.5	Low	65 Å²	65	86 Å²	86	39%	0.394	49%	0.492	S	S	.	.	H	α-helix	trans	-65.4	-43	176.4	165.7	0	0	0	0	112.2	S155 L156 R162 Q163	S155-V159 WeakPolarHBondContact O-CB 3.38Å; S155-V159 WeakPolarHBondContact O-CG2 3.44Å; S155-V159 PolarHBondContact O-N 3.38Å; L156-V159 PolarHBondContact O-N 3.19Å; L156-V159 VanDerWaalsContact O-N 3.12Å; V159-R162 WeakPolarHBondContact O-CB 3.24Å; V159-R162 PolarHBondContact O-N 3.34Å; V159-Q163 HydrophobicContact CG1-CG 4.42Å; V159-Q163 WeakPolarHBondContact O-CG 3.39Å; V159-Q163 PolarHBondContact O-N 3.42Å
160	E	62.7	Low	63.9	Low	130 Å²	130	82.3 Å²	82.3	61%	0.607	47%	0.474	S	S	*	.	H	α-helix	trans	-62.8	-45.9	175.5	-72.5	-177.4	167.4	0	0	111.7	L156 R162 Q163 S164	L156-E160 WeakPolarHBondContact O-CG 3.19Å; L156-E160 PolarHBondContact O-N 3.09Å; E160-R162 VanDerWaalsContact C-N 3.27Å; E160-R162 PolarHBondContact O-N 3.47Å; E160-Q163 PolarHBondContact O-N 3.23Å; E160-S164 WeakPolarHBondContact O-CB 3.39Å; E160-S164 PolarHBondContact O-N 2.97Å
161	S	69.9	Low	66.3	Low	68 Å²	68	81.3 Å²	81.3	48%	0.476	46%	0.458	S	S	.	.	H	α-helix	trans	-57.8	-41.3	174.9	-61.7	0	0	0	0	111.7	S157 C158 L165	S157-S161 VanDerWaalsContact O-CB 3.31Å; S157-S161 WeakPolarHBondContact O-CB 3.4Å; S157-S161 PolarHBondContact O-N 2.96Å; S157-S161 PolarHBondContact O-OG 3.32Å; C158-S161 PolarHBondContact O-N 2.85Å; S161-L165 WeakPolarHBondContact O-CG 3.47Å; S161-L165 PolarHBondContact O-N 3.06Å; S161-L165 VanDerWaalsContact O-N 3.08Å
162	R	72.9	Confident	68.8	Low	92 Å²	92	77.3 Å²	77.3	35%	0.347	43%	0.431	S	S	.	.	H	α-helix	trans	-67.5	-42.7	176.4	-173.9	-174.7	-175.7	96.3	2.6	112.3	T141 C142 C158 V159 E160 L165 L166	T141-R162 PolarHBondContact O-NH1 2.91Å; C142-R162 VanDerWaalsContact SG-CZ 3.59Å; C142-R162 PolarHBondContact SG-NH1 3.07Å; C142-R162 PolarHBondContact SG-NH2 3.34Å; C158-R162 VanDerWaalsContact O-CB 3.24Å; C158-R162 WeakPolarHBondContact O-CB 3.44Å; C158-R162 PolarHBondContact O-N 3.39Å; V159-R162 WeakPolarHBondContact O-CB 3.24Å; V159-R162 PolarHBondContact O-N 3.34Å; E160-R162 VanDerWaalsContact C-N 3.27Å; E160-R162 PolarHBondContact O-N 3.47Å; R162-L165 PolarHBondContact O-N 2.94Å; R162-L166 HydrophobicContact CG-CD1 4.22Å; R162-L166 WeakPolarHBondContact O-CB 3.49Å; R162-L166 VanDerWaalsContact O-CG 3.27Å; R162-L166 WeakPolarHBondContact O-CG 3.45Å; R162-L166 PolarHBondContact O-N 3.45Å
163	Q	77.6	Confident	70.9	Confident	124 Å²	124	72.5 Å²	72.5	58%	0.579	40%	0.404	S	S	*	.	H	α-helix	trans	-64	-42.6	176.2	-73.8	-178.8	26.1	0	0	111.6	V159 E160 L166 A167	V159-Q163 HydrophobicContact CG1-CG 4.42Å; V159-Q163 WeakPolarHBondContact O-CG 3.39Å; V159-Q163 PolarHBondContact O-N 3.42Å; E160-Q163 PolarHBondContact O-N 3.23Å; Q163-L166 PolarHBondContact O-N 3Å; Q163-A167 PolarHBondContact O-N 2.77Å
164	S	83.8	Confident	72.4	Confident	75 Å²	75	71.1 Å²	71.1	52%	0.524	40%	0.395	S	S	.	.	H	α-helix	trans	-60.1	-47.2	175.4	-175.3	0	0	0	0	112.1	E160 L166 A167 E168	E160-S164 WeakPolarHBondContact O-CB 3.39Å; E160-S164 PolarHBondContact O-N 2.97Å; S164-L166 VanDerWaalsContact C-N 3.33Å; S164-L166 PolarHBondContact O-N 3.06Å; S164-A167 PolarHBondContact O-N 3.36Å; S164-E168 PolarHBondContact O-N 3.25Å
165	L	81.6	Confident	74.2	Confident	25 Å²	25	70.8 Å²	70.8	13%	0.131	39%	0.389	C	S	.	.	H	α-helix	trans	-62.7	-35.9	175.2	-73.2	171	0	0	0	113.1	L134 K137 V138 S161 R162 L169	L134-L165 HydrophobicContact CD2-CD2 4.23Å; K137-L165 HydrophobicContact CB-CD1 4.36Å; K137-L165 HydrophobicContact CB-CD2 4.26Å; K137-L165 HydrophobicContact CD-CD2 3.8Å; V138-L165 HydrophobicContact CG2-CB 4.02Å; S161-L165 WeakPolarHBondContact O-CG 3.47Å; S161-L165 PolarHBondContact O-N 3.06Å; S161-L165 VanDerWaalsContact O-N 3.08Å; R162-L165 PolarHBondContact O-N 2.94Å; L165-L169 WeakPolarHBondContact O-CB 3.18Å; L165-L169 PolarHBondContact O-N 2.8Å
166	L	82.8	Confident	76.1	Confident	68 Å²	68	68.8 Å²	68.8	36%	0.356	37%	0.373	S	S	.	.	H	α-helix	trans	-69.7	-37.8	174.9	-73.6	168	0	0	0	112	R162 Q163 S164 L169 Q170	R162-L166 HydrophobicContact CG-CD1 4.22Å; R162-L166 WeakPolarHBondContact O-CB 3.49Å; R162-L166 VanDerWaalsContact O-CG 3.27Å; R162-L166 WeakPolarHBondContact O-CG 3.45Å; R162-L166 PolarHBondContact O-N 3.45Å; Q163-L166 PolarHBondContact O-N 3Å; S164-L166 VanDerWaalsContact C-N 3.33Å; S164-L166 PolarHBondContact O-N 3.06Å; L166-L169 PolarHBondContact O-N 2.85Å; L166-Q170 WeakPolarHBondContact O-CG 3.39Å; L166-Q170 PolarHBondContact O-N 2.92Å
167	A	85	Confident	77.8	Confident	55 Å²	55	70.7 Å²	70.7	46%	0.455	37%	0.373	S	S	.	.	H	α-helix	trans	-66.8	-42.3	174.5	0	0	0	0	0	112	Q163 S164 L169 Q170 D171	Q163-A167 PolarHBondContact O-N 2.77Å; S164-A167 PolarHBondContact O-N 3.36Å; A167-L169 VanDerWaalsContact C-N 3.29Å; A167-L169 PolarHBondContact O-N 3.06Å; A167-Q170 PolarHBondContact O-N 2.95Å; A167-D171 WeakPolarHBondContact O-CB 3.28Å; A167-D171 PolarHBondContact O-N 3.47Å
168	E	86.4	Confident	79.1	Confident	65 Å²	65	72.3 Å²	72.3	30%	0.304	37%	0.373	S	S	.	.	H	α-helix	trans	-58	-41	170.1	-91.2	-154.9	-121.1	0	0	112.1	R130 L134 S164 C172	R130-E168 IonicContact CZ-OE2 2.65Å; R130-E168 IonicContact NE-OE2 3.86Å; R130-E168 IonicContact NH2-OE2 2.8Å; R130-E168 PolarHBondContact NH2-OE2 3.12Å; L134-E168 HydrophobicContact CD1-CB 4.14Å; L134-E168 HydrophobicContact CD2-CB 4.02Å; S164-E168 PolarHBondContact O-N 3.25Å; E168-C172 VanDerWaalsContact O-CB 3.29Å; E168-C172 WeakPolarHBondContact O-CB 3.45Å; E168-C172 PolarHBondContact O-N 3.42Å
169	L	85.4	Confident	80.4	Confident	16 Å²	16	70.1 Å²	70.1	8%	0.084	36%	0.358	C	S	.	.	H	α-helix	trans	-68.1	-43.9	179.6	-168.6	154.2	0	0	0	111.2	L134 L135 V138 L165 L166 A167 C172 E173	L134-L169 HydrophobicContact CB-CB 4.45Å; L134-L169 HydrophobicContact CB-CD1 4.24Å; L134-L169 HydrophobicContact CB-CG 4.47Å; L134-L169 HydrophobicContact CD1-CB 4.44Å; L135-L169 HydrophobicContact CD2-CD1 3.8Å; L135-L169 HydrophobicContact CG-CD1 4Å; V138-L169 HydrophobicContact CG2-CD1 4.44Å; L165-L169 WeakPolarHBondContact O-CB 3.18Å; L165-L169 PolarHBondContact O-N 2.8Å; L166-L169 PolarHBondContact O-N 2.85Å; A167-L169 VanDerWaalsContact C-N 3.29Å; A167-L169 PolarHBondContact O-N 3.06Å; L169-C172 PolarHBondContact O-N 2.96Å; L169-E173 HydrophobicContact CD2-CG 3.98Å; L169-E173 WeakPolarHBondContact O-CB 3.4Å; L169-E173 WeakPolarHBondContact O-CG 3.07Å; L169-E173 PolarHBondContact O-N 2.71Å
170	Q	85.8	Confident	81.4	Confident	135 Å²	135	71 Å²	71	63%	0.631	36%	0.358	S	S	*	.	H	α-helix	trans	-62.3	-42.2	174.6	-73.9	176.9	-1.5	0	0	112.4	L166 A167 S174	L166-Q170 WeakPolarHBondContact O-CG 3.39Å; L166-Q170 PolarHBondContact O-N 2.92Å; A167-Q170 PolarHBondContact O-N 2.95Å; Q170-S174 VanDerWaalsContact O-CB 3.31Å; Q170-S174 WeakPolarHBondContact O-CB 3.49Å; Q170-S174 PolarHBondContact O-N 3.35Å
171	D	87.2	Confident	82.2	Confident	56 Å²	56	70.9 Å²	70.9	30%	0.299	36%	0.361	S	S	.	.	H	α-helix	trans	-59.7	-48.3	172.9	172.2	64.4	0	0	0	111.3	A167 S174 K175	A167-D171 WeakPolarHBondContact O-CB 3.28Å; A167-D171 PolarHBondContact O-N 3.47Å; D171-S174 PolarHBondContact O-N 3.05Å; D171-S174 PolarHBondContact O-OG 3.12Å; D171-K175 WeakPolarHBondContact O-CG 3.3Å; D171-K175 PolarHBondContact O-N 3.1Å; D171-K175 WeakPolarHBondContact OD1-CE 3.42Å; D171-K175 IonicContact OD1-NZ 2.72Å; D171-K175 PolarHBondContact OD1-NZ 3.02Å; D171-K175 IonicContact OD2-NZ 2.69Å; D171-K175 PolarHBondContact OD2-NZ 3.05Å
172	C	86.8	Confident	82.5	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-62.3	-45.1	179.5	-161.3	0	0	0	0	112	L134 E168 L169 K175 L176	L134-C172 HydrophobicContact CD1-CB 4.05Å; E168-C172 VanDerWaalsContact O-CB 3.29Å; E168-C172 WeakPolarHBondContact O-CB 3.45Å; E168-C172 PolarHBondContact O-N 3.42Å; L169-C172 PolarHBondContact O-N 2.96Å; C172-K175 PolarHBondContact O-N 2.87Å; C172-L176 VanDerWaalsContact O-CB 3.3Å; C172-L176 WeakPolarHBondContact O-CB 3.32Å; C172-L176 PolarHBondContact O-N 3.02Å
173	E	85	Confident	82.6	Confident	65 Å²	65	66.5 Å²	66.5	30%	0.304	34%	0.342	S	S	.	.	H	α-helix	trans	-65.5	-35.9	174.9	-73.6	-166.2	152.1	0	0	112.4	R131 L169 L176 Y177	R131-E173 HydrophobicContact CG-CG 4.34Å; R131-E173 IonicContact CZ-OE1 2.79Å; R131-E173 IonicContact NE-OE1 3.65Å; R131-E173 PolarHBondContact NE-OE1 3.35Å; R131-E173 IonicContact NH2-OE1 3.01Å; R131-E173 PolarHBondContact NH2-OE1 3.03Å; L169-E173 HydrophobicContact CD2-CG 3.98Å; L169-E173 WeakPolarHBondContact O-CB 3.4Å; L169-E173 WeakPolarHBondContact O-CG 3.07Å; L169-E173 PolarHBondContact O-N 2.71Å; E173-L176 PolarHBondContact O-N 3.22Å; E173-Y177 WeakPolarHBondContact O-CB 3.37Å; E173-Y177 PolarHBondContact O-N 3.07Å
174	S	83.1	Confident	82.4	Confident	49 Å²	49	65.4 Å²	65.4	34%	0.343	35%	0.348	S	S	.	.	H	α-helix	trans	-65.1	-39.9	175.1	85.1	0	0	0	0	112	Q170 D171 Q178	Q170-S174 VanDerWaalsContact O-CB 3.31Å; Q170-S174 WeakPolarHBondContact O-CB 3.49Å; Q170-S174 PolarHBondContact O-N 3.35Å; D171-S174 PolarHBondContact O-N 3.05Å; D171-S174 PolarHBondContact O-OG 3.12Å; S174-Q178 WeakPolarHBondContact O-CB 3.46Å; S174-Q178 VanDerWaalsContact O-CG 3.26Å; S174-Q178 WeakPolarHBondContact O-CG 3.43Å; S174-Q178 PolarHBondContact O-N 2.68Å
175	K	85	Confident	82	Confident	90 Å²	90	65.7 Å²	65.7	39%	0.391	35%	0.347	S	S	.	.	H	α-helix	trans	-70	-37.8	176	-74.9	164.7	176.3	161	0	111.5	L127 D171 C172 T179	L127-K175 HydrophobicContact CD1-CB 4.11Å; L127-K175 HydrophobicContact CD2-CB 4Å; D171-K175 WeakPolarHBondContact O-CG 3.3Å; D171-K175 PolarHBondContact O-N 3.1Å; D171-K175 WeakPolarHBondContact OD1-CE 3.42Å; D171-K175 IonicContact OD1-NZ 2.72Å; D171-K175 PolarHBondContact OD1-NZ 3.02Å; D171-K175 IonicContact OD2-NZ 2.69Å; D171-K175 PolarHBondContact OD2-NZ 3.05Å; C172-K175 PolarHBondContact O-N 2.87Å; K175-T179 WeakPolarHBondContact O-CB 3.37Å; K175-T179 WeakPolarHBondContact O-CG2 3.4Å; K175-T179 PolarHBondContact O-N 2.88Å; K175-T179 PolarHBondContact O-OG1 3.1Å
176	L	85.3	Confident	81.9	Confident	26 Å²	26	64.7 Å²	64.7	14%	0.136	34%	0.342	C	S	.	.	H	α-helix	trans	-62.7	-51.4	172.8	-175.9	140.7	0	0	0	110.3	L127 E128 C172 E173 Q178 T179 H180	L127-L176 HydrophobicContact CB-CB 4.26Å; L127-L176 HydrophobicContact CB-CD1 4.17Å; E128-L176 HydrophobicContact CG-CD1 3.68Å; C172-L176 VanDerWaalsContact O-CB 3.3Å; C172-L176 WeakPolarHBondContact O-CB 3.32Å; C172-L176 PolarHBondContact O-N 3.02Å; E173-L176 PolarHBondContact O-N 3.22Å; L176-Q178 PolarHBondContact O-N 2.87Å; L176-T179 PolarHBondContact O-N 3.13Å; L176-T179 VanDerWaalsContact O-N 3.17Å; L176-T179 PolarHBondContact O-OG1 3.19Å; L176-T179 VanDerWaalsContact O-OG1 3.05Å; L176-H180 VanDerWaalsContact CD2-CD2 3.47Å; L176-H180 WeakPolarHBondContact CD2-CD2 3.42Å; L176-H180 PolarHBondContact O-CD2 2.98Å; L176-H180 PolarHBondContact O-N 2.78Å
177	Y	82.4	Confident	81.9	Confident	155 Å²	155	62.1 Å²	62.1	61%	0.608	33%	0.329	S	S	*	.	H	α-helix	trans	-56	-48.2	175	-176.8	-97.9	0	0	0	112.5	E173 T179 H180 L181	E173-Y177 WeakPolarHBondContact O-CB 3.37Å; E173-Y177 PolarHBondContact O-N 3.07Å; Y177-T179 PolarHBondContact O-N 3.33Å; Y177-H180 PolarHBondContact O-N 3.04Å; Y177-L181 HydrophobicContact CE1-CD2 4.29Å; Y177-L181 WeakPolarHBondContact O-CB 3.3Å; Y177-L181 PolarHBondContact O-N 3.21Å
178	Q	80.9	Confident	81.6	Confident	96 Å²	96	68.6 Å²	68.6	45%	0.449	35%	0.347	S	S	.	.	H	α-helix	trans	-59.7	-43.2	176.4	-75	179.5	50.2	0	0	112.4	S174 L176 L181 M182	S174-Q178 WeakPolarHBondContact O-CB 3.46Å; S174-Q178 VanDerWaalsContact O-CG 3.26Å; S174-Q178 WeakPolarHBondContact O-CG 3.43Å; S174-Q178 PolarHBondContact O-N 2.68Å; L176-Q178 PolarHBondContact O-N 2.87Å; Q178-L181 PolarHBondContact O-N 3.28Å; Q178-M182 WeakPolarHBondContact O-CG 3.44Å; Q178-M182 PolarHBondContact O-N 2.93Å
179	T	79.2	Confident	81.2	Confident	17 Å²	17	72.8 Å²	72.8	10%	0.104	36%	0.36	C	S	.	.	H	α-helix	trans	-75	-21.8	179.6	52.5	0	0	0	0	113.6	R120 Q123 L127 K175 L176 Y177 M182	R120-T179 PolarHBondContact NE-O 2.71Å; R120-T179 PolarHBondContact NH2-O 3.14Å; Q123-T179 HydrophobicContact CG-CG2 4.15Å; L127-T179 HydrophobicContact CD1-CG2 4.26Å; K175-T179 WeakPolarHBondContact O-CB 3.37Å; K175-T179 WeakPolarHBondContact O-CG2 3.4Å; K175-T179 PolarHBondContact O-N 2.88Å; K175-T179 PolarHBondContact O-OG1 3.1Å; L176-T179 PolarHBondContact O-N 3.13Å; L176-T179 VanDerWaalsContact O-N 3.17Å; L176-T179 PolarHBondContact O-OG1 3.19Å; L176-T179 VanDerWaalsContact O-OG1 3.05Å; Y177-T179 PolarHBondContact O-N 3.33Å; T179-M182 HydrophobicContact CG2-SD 4.34Å
180	H	81.1	Confident	81	Confident	83 Å²	83	72.4 Å²	72.4	38%	0.384	36%	0.358	S	S	.	.	H	α-helix	trans	-74.6	-37	163.7	-72.1	-68.7	0	0	0	112.7	R120 L176 Y177 M182	R120-H180 VanDerWaalsContact NH2-C 3.28Å; R120-H180 PolarHBondContact NH2-O 2.98Å; L176-H180 VanDerWaalsContact CD2-CD2 3.47Å; L176-H180 WeakPolarHBondContact CD2-CD2 3.42Å; L176-H180 PolarHBondContact O-CD2 2.98Å; L176-H180 PolarHBondContact O-N 2.78Å; Y177-H180 PolarHBondContact O-N 3.04Å; H180-M182 VanDerWaalsContact C-N 3.25Å; H180-M182 PolarHBondContact O-N 3.37Å
181	L	78.7	Confident	80.8	Confident	128 Å²	128	66.3 Å²	66.3	67%	0.67	33%	0.33	S	S	*	.	H	α-helix	trans	-69.7	-18.8	179.4	-159.8	71.5	0	0	0	113.5	Y177 Q178	Y177-L181 HydrophobicContact CE1-CD2 4.29Å; Y177-L181 WeakPolarHBondContact O-CB 3.3Å; Y177-L181 PolarHBondContact O-N 3.21Å; Q178-L181 PolarHBondContact O-N 3.28Å
182	M	76.1	Confident	80.4	Confident	21 Å²	21	66.1 Å²	66.1	10%	0.103	33%	0.333	C	S	.	.	S	Bend	trans	-58.3	151.5	173.5	-70.6	178.2	77.8	0	0	112.5	R120 Q178 T179 H180 N231 W232 L235	R120-M182 PolarHBondContact NH1-O 3.27Å; R120-M182 PolarHBondContact NH2-O 3.02Å; R120-M182 VanDerWaalsContact NH2-O 3.14Å; Q178-M182 WeakPolarHBondContact O-CG 3.44Å; Q178-M182 PolarHBondContact O-N 2.93Å; T179-M182 HydrophobicContact CG2-SD 4.34Å; H180-M182 VanDerWaalsContact C-N 3.25Å; H180-M182 PolarHBondContact O-N 3.37Å; M182-N231 HydrophobicContact CE-CB 3.96Å; M182-N231 HydrophobicContact SD-CB 4.28Å; M182-W232 HydrophobicContact CE-CB 4.32Å; M182-W232 HydrophobicContact CE-CD2 3.58Å; M182-W232 HydrophobicContact CE-CE3 4.09Å; M182-W232 HydrophobicContact CE-CG 3.65Å; M182-W232 HydrophobicContact CE-CZ2 4.46Å; M182-L235 HydrophobicContact CE-CB 4.46Å; M182-L235 HydrophobicContact CE-CD2 3.73Å; M182-L235 HydrophobicContact SD-CD2 4.06Å
183	S	75.9	Confident	79.9	Confident	47 Å²	47	66.7 Å²	66.7	33%	0.329	34%	0.336	S	S	.	.			trans	-64.2	148.7	174	56.5	0	0	0	0	112	R120 T185 W232	R120-S183 PolarHBondContact NH1-O 3.22Å; S183-T185 WeakPolarHBondContact CB-O 3.4Å; S183-T185 PolarHBondContact O-N 3.45Å; S183-T185 VanDerWaalsContact O-N 3.13Å; S183-T185 PolarHBondContact OG-O 3.48Å; S183-W232 VanDerWaalsContact O-CZ2 3.32Å; S183-W232 WeakPolarHBondContact O-CZ2 3.37Å; S183-W232 PolarHBondContact OG-NE1 3.48Å
184	S	72	Confident	79.6	Confident	101 Å²	101	63.7 Å²	63.7	71%	0.706	32%	0.323	S	S	*	.	S	Bend	trans	-67.7	-10	179.9	59.1	0	0	0	0	114.7
185	T	76.1	Confident	79.4	Confident	82 Å²	82	61.4 Å²	61.4	50%	0.503	31%	0.306	S	S	.	.	S	Bend	trans	-143.7	152.1	170.2	49.9	0	0	0	0	109.9	S183	S183-T185 WeakPolarHBondContact CB-O 3.4Å; S183-T185 PolarHBondContact O-N 3.45Å; S183-T185 VanDerWaalsContact O-N 3.13Å; S183-T185 PolarHBondContact OG-O 3.48Å
186	P	79.9	Confident	78.8	Confident	4 Å²	4	58.5 Å²	58.5	3%	0.026	30%	0.297	C	S	.	.			trans	-64.9	156.1	177	-11.6	19.2	0	0	0	112.9	S116 K188 L190 I191 W232	S116-P186 VanDerWaalsContact CB-CG 3.47Å; S116-P186 WeakPolarHBondContact OG-CG 3.22Å; P186-K188 PolarHBondContact O-N 3.48Å; P186-L190 HydrophobicContact CB-CD2 4.36Å; P186-I191 HydrophobicContact CB-CD1 4.07Å; P186-I191 HydrophobicContact CB-CG1 3.9Å; P186-I191 HydrophobicContact CG-CD1 4.11Å; P186-I191 HydrophobicContact CG-CG1 4.16Å; P186-I191 WeakPolarHBondContact O-CD1 3.13Å; P186-W232 HydrophobicContact CB-CD2 3.83Å; P186-W232 HydrophobicContact CB-CE3 4.18Å; P186-W232 HydrophobicContact CB-CG 4.03Å; P186-W232 HydrophobicContact CG-CD2 3.91Å; P186-W232 HydrophobicContact CG-CE3 3.83Å; P186-W232 HydrophobicContact CG-CH2 4.03Å; P186-W232 HydrophobicContact CG-CZ2 4.09Å; P186-W232 HydrophobicContact CG-CZ3 3.91Å
187	P	81.7	Confident	78.1	Confident	13 Å²	13	59.2 Å²	59.2	8%	0.084	30%	0.3	C	S	.	.			trans	-52.1	130.4	175.3	-29.4	36.5	0	0	0	112.9	R189 L190 I191 Y225 V229	P187-R189 PolarHBondContact O-N 3.06Å; P187-L190 WeakPolarHBondContact O-CB 3.35Å; P187-L190 PolarHBondContact O-N 2.8Å; P187-I191 PolarHBondContact O-N 2.8Å; P187-Y225 HydrophobicContact CB-CE2 3.9Å; P187-Y225 WeakPolarHBondContact CB-OH 3.44Å; P187-Y225 HydrophobicContact CG-CE2 4.44Å; P187-V229 HydrophobicContact CB-CG2 4.14Å; P187-V229 HydrophobicContact CG-CG2 3.88Å
188	K	80.3	Confident	77.5	Confident	192 Å²	192	52.2 Å²	52.2	84%	0.835	28%	0.275	S	S	*	.	H	α-helix	trans	-55.2	-26.1	-175.6	-68.1	174.3	-176.6	166.3	0	114	P186 S192	P186-K188 PolarHBondContact O-N 3.48Å; K188-S192 VanDerWaalsContact O-CB 3.3Å; K188-S192 WeakPolarHBondContact O-CB 3.41Å; K188-S192 PolarHBondContact O-N 3.35Å
189	R	77.8	Confident	76.7	Confident	153 Å²	153	49.8 Å²	49.8	58%	0.577	27%	0.269	S	S	*	.	H	α-helix	trans	-67.5	-52.4	172.5	-67.8	-174	177.4	158.7	2	111.2	P187 I191 S192 T193 Y225	P187-R189 PolarHBondContact O-N 3.06Å; R189-I191 PolarHBondContact O-N 3.42Å; R189-S192 CarbonylContact O-C 3.5Å; R189-S192 WeakPolarHBondContact O-CA 3.45Å; R189-S192 WeakPolarHBondContact O-CB 3.5Å; R189-S192 PolarHBondContact O-N 2.84Å; R189-T193 PolarHBondContact O-N 3.36Å; R189-T193 PolarHBondContact O-OG1 2.88Å; R189-Y225 WeakPolarHBondContact CB-OH 3.43Å
190	L	80.6	Confident	75.7	Confident	7 Å²	7	52.4 Å²	52.4	4%	0.037	28%	0.282	C	S	.	.	H	α-helix	trans	-55	-47.2	-180	-178.2	63.7	0	0	0	112	P186 P187 S192 T193 L194 F211 W232	P186-L190 HydrophobicContact CB-CD2 4.36Å; P187-L190 WeakPolarHBondContact O-CB 3.35Å; P187-L190 PolarHBondContact O-N 2.8Å; L190-S192 VanDerWaalsContact C-N 3.31Å; L190-S192 PolarHBondContact O-N 2.92Å; L190-T193 WeakPolarHBondContact CA-OG1 3.33Å; L190-T193 PolarHBondContact O-N 3.33Å; L190-T193 PolarHBondContact O-OG1 3.11Å; L190-L194 HydrophobicContact CD1-CD1 4.15Å; L190-L194 HydrophobicContact CD1-CG 4.33Å; L190-L194 HydrophobicContact CG-CD1 4.14Å; L190-L194 WeakPolarHBondContact O-CB 3.44Å; L190-L194 WeakPolarHBondContact O-CG 3.48Å; L190-L194 PolarHBondContact O-N 3.4Å; L190-F211 HydrophobicContact CD1-CE2 4.49Å; L190-F211 HydrophobicContact CD1-CZ 3.92Å; L190-W232 HydrophobicContact CD2-CB 3.8Å
191	I	82.8	Confident	74.3	Confident	7 Å²	7	54.9 Å²	54.9	4%	0.036	30%	0.298	C	S	.	.	H	α-helix	trans	-61.8	-40.7	175.9	-53.6	175	0	0	0	110.9	I109 I112 K113 P186 P187 R189 A195	I109-I191 HydrophobicContact CB-CG2 4.32Å; I109-I191 HydrophobicContact CG1-CG2 4.26Å; I109-I191 HydrophobicContact CG2-CG2 4.05Å; I112-I191 HydrophobicContact CB-CG2 4.12Å; I112-I191 HydrophobicContact CD1-CG2 4.11Å; I112-I191 WeakPolarHBondContact CD1-O 3.46Å; I112-I191 HydrophobicContact CG2-CB 4.4Å; I112-I191 HydrophobicContact CG2-CG1 4.18Å; I112-I191 HydrophobicContact CG2-CG2 3.98Å; K113-I191 HydrophobicContact CG-CD1 3.99Å; P186-I191 HydrophobicContact CB-CD1 4.07Å; P186-I191 HydrophobicContact CB-CG1 3.9Å; P186-I191 HydrophobicContact CG-CD1 4.11Å; P186-I191 HydrophobicContact CG-CG1 4.16Å; P186-I191 WeakPolarHBondContact O-CD1 3.13Å; P187-I191 PolarHBondContact O-N 2.8Å; R189-I191 PolarHBondContact O-N 3.42Å; I191-A195 WeakPolarHBondContact O-CB 3.49Å; I191-A195 PolarHBondContact O-N 3.05Å; I191-A195 VanDerWaalsContact O-N 3.16Å
192	S	78.7	Confident	72.5	Confident	52 Å²	52	53 Å²	53	36%	0.364	30%	0.296	S	S	.	.	H	α-helix	trans	-70.7	-37.6	179	-178.2	0	0	0	0	112.7	K105 K188 R189 L190 S196	K105-S192 WeakPolarHBondContact CE-O 3.32Å; K105-S192 PolarHBondContact NZ-O 3.04Å; K188-S192 VanDerWaalsContact O-CB 3.3Å; K188-S192 WeakPolarHBondContact O-CB 3.41Å; K188-S192 PolarHBondContact O-N 3.35Å; R189-S192 CarbonylContact O-C 3.5Å; R189-S192 WeakPolarHBondContact O-CA 3.45Å; R189-S192 WeakPolarHBondContact O-CB 3.5Å; R189-S192 PolarHBondContact O-N 2.84Å; L190-S192 VanDerWaalsContact C-N 3.31Å; L190-S192 PolarHBondContact O-N 2.92Å; S192-S196 PolarHBondContact O-N 2.93Å; S192-S196 VanDerWaalsContact O-N 3.11Å; S192-S196 PolarHBondContact O-OG 3.31Å
193	T	74.6	Confident	70.8	Confident	12 Å²	12	54.5 Å²	54.5	7%	0.074	32%	0.317	C	S	.	.	H	α-helix	trans	-69.2	-52.6	-180	48	0	0	0	0	110.7	R189 L190 A195 S196 M197 Y215	R189-T193 PolarHBondContact O-N 3.36Å; R189-T193 PolarHBondContact O-OG1 2.88Å; L190-T193 WeakPolarHBondContact CA-OG1 3.33Å; L190-T193 PolarHBondContact O-N 3.33Å; L190-T193 PolarHBondContact O-OG1 3.11Å; T193-A195 VanDerWaalsContact C-N 3.29Å; T193-A195 PolarHBondContact O-N 3.21Å; T193-S196 WeakPolarHBondContact CA-OG 3.47Å; T193-S196 WeakPolarHBondContact O-CA 3.41Å; T193-S196 PolarHBondContact O-N 2.79Å; T193-S196 PolarHBondContact O-OG 3.31Å; T193-M197 WeakPolarHBondContact O-CG 3.17Å; T193-M197 PolarHBondContact O-N 2.97Å; T193-Y215 HydrophobicContact CG2-CD1 4.37Å; T193-Y215 HydrophobicContact CG2-CE1 3.77Å; T193-Y215 HydrophobicContact CG2-CE2 3.95Å
194	L	78.5	Confident	69	Low	3 Å²	3	59.7 Å²	59.7	2%	0.016	34%	0.336	C	S	.	.	H	α-helix	trans	-53.3	-46.2	174.8	-69.3	171.4	0	0	0	111.1	I112 L190 S196 M197 A198 L236 P275	I112-L194 HydrophobicContact CD1-CB 3.87Å; L190-L194 HydrophobicContact CD1-CD1 4.15Å; L190-L194 HydrophobicContact CD1-CG 4.33Å; L190-L194 HydrophobicContact CG-CD1 4.14Å; L190-L194 WeakPolarHBondContact O-CB 3.44Å; L190-L194 WeakPolarHBondContact O-CG 3.48Å; L190-L194 PolarHBondContact O-N 3.4Å; L194-S196 VanDerWaalsContact C-N 3.3Å; L194-S196 PolarHBondContact O-N 2.6Å; L194-M197 PolarHBondContact O-N 2.94Å; L194-A198 WeakPolarHBondContact O-CB 3.39Å; L194-A198 PolarHBondContact O-N 2.86Å; L194-L236 HydrophobicContact CD1-CD1 4.37Å; L194-P275 HydrophobicContact CD2-CB 4.46Å
195	A	79.6	Confident	67.9	Low	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-68.2	-20.9	177.7	0	0	0	0	0	114.6	K105 L108 I109 I112 I191 T193 S199	K105-A195 HydrophobicContact CD-CB 4.49Å; K105-A195 HydrophobicContact CG-CB 4.06Å; L108-A195 HydrophobicContact CB-CB 4.11Å; I109-A195 HydrophobicContact CD1-CB 4.42Å; I109-A195 HydrophobicContact CG1-CB 3.57Å; I112-A195 HydrophobicContact CD1-CB 3.83Å; I191-A195 WeakPolarHBondContact O-CB 3.49Å; I191-A195 PolarHBondContact O-N 3.05Å; I191-A195 VanDerWaalsContact O-N 3.16Å; T193-A195 VanDerWaalsContact C-N 3.29Å; T193-A195 PolarHBondContact O-N 3.21Å; A195-S199 WeakPolarHBondContact O-CB 3.42Å; A195-S199 PolarHBondContact O-OG 3.01Å
196	S	73.6	Confident	66.6	Low	29 Å²	29	59.3 Å²	59.3	20%	0.203	32%	0.315	C	S	.	.	H	α-helix	trans	-80.8	-42.1	166.9	12.6	0	0	0	0	112.2	K105 S192 T193 L194 A198 S199 N200	K105-S196 VanDerWaalsContact NZ-CB 3.3Å; K105-S196 PolarHBondContact NZ-OG 2.98Å; S192-S196 PolarHBondContact O-N 2.93Å; S192-S196 VanDerWaalsContact O-N 3.11Å; S192-S196 PolarHBondContact O-OG 3.31Å; T193-S196 WeakPolarHBondContact CA-OG 3.47Å; T193-S196 WeakPolarHBondContact O-CA 3.41Å; T193-S196 PolarHBondContact O-N 2.79Å; T193-S196 PolarHBondContact O-OG 3.31Å; L194-S196 VanDerWaalsContact C-N 3.3Å; L194-S196 PolarHBondContact O-N 2.6Å; S196-A198 PolarHBondContact O-N 2.89Å; S196-S199 WeakPolarHBondContact O-CA 3.48Å; S196-S199 PolarHBondContact O-N 2.88Å; S196-N200 PolarHBondContact O-N 3.24Å; S196-N200 PolarHBondContact O-OD1 3.41Å
197	M	69.5	Low	65.2	Low	41 Å²	41	61 Å²	61	20%	0.202	33%	0.327	C	S	.	.	H	α-helix	trans	-58.8	-33.4	177.5	-67	162.3	73.3	0	0	111.3	T193 L194 V206 F211	T193-M197 WeakPolarHBondContact O-CG 3.17Å; T193-M197 PolarHBondContact O-N 2.97Å; L194-M197 PolarHBondContact O-N 2.94Å; M197-V206 HydrophobicContact CE-CG1 4.38Å; M197-F211 HydrophobicContact SD-CD2 4.4Å
198	A	70.9	Confident	63.7	Low	8 Å²	8	64.6 Å²	64.6	7%	0.066	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-10.2	172.3	0	0	0	0	0	115.5	L108 L194 S196 R272 L273	L108-A198 HydrophobicContact CD1-CB 4.1Å; L194-A198 WeakPolarHBondContact O-CB 3.39Å; L194-A198 PolarHBondContact O-N 2.86Å; S196-A198 PolarHBondContact O-N 2.89Å; A198-R272 HydrophobicContact CB-CB 4.07Å; A198-L273 HydrophobicContact CB-CD2 3.5Å; A198-L273 HydrophobicContact CB-CG 4.24Å
199	S	63.2	Low	62.4	Low	46 Å²	46	60.3 Å²	60.3	32%	0.322	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-24.5	177.9	-64.1	0	0	0	0	113.6	A195 S196 D201	A195-S199 WeakPolarHBondContact O-CB 3.42Å; A195-S199 PolarHBondContact O-OG 3.01Å; S196-S199 WeakPolarHBondContact O-CA 3.48Å; S196-S199 PolarHBondContact O-N 2.88Å; S199-D201 PolarHBondContact O-N 2.78Å; S199-D201 VanDerWaalsContact O-N 3.12Å
200	N	57.8	Low	61.3	Low	72 Å²	72	55.1 Å²	55.1	39%	0.385	31%	0.314	S	S	.	.			trans	-85	79.9	-174.4	-75.2	15.4	0	0	0	111.1	S196 S202	S196-N200 PolarHBondContact O-N 3.24Å; S196-N200 PolarHBondContact O-OD1 3.41Å; N200-S202 PolarHBondContact O-N 2.94Å; N200-S202 VanDerWaalsContact O-N 3.08Å
201	D	51.7	Low	60.2	Low	134 Å²	134	55.3 Å²	55.3	72%	0.717	31%	0.314	S	S	*	.			trans	-64	-3.2	164.2	-70.2	-34.2	0	0	0	112.2	S199 R272	S199-D201 PolarHBondContact O-N 2.78Å; S199-D201 VanDerWaalsContact O-N 3.12Å; D201-R272 IonicContact OD1-NH1 2.71Å
202	S	41.4	Very low	59.2	Low	89 Å²	89	58.6 Å²	58.6	62%	0.622	33%	0.326	S	S	*	.	S	Bend	trans	-119.5	91.6	-169.7	60.6	0	0	0	0	114.3	N200 E204	N200-S202 PolarHBondContact O-N 2.94Å; N200-S202 VanDerWaalsContact O-N 3.08Å; S202-E204 VanDerWaalsContact C-N 3.31Å; S202-E204 PolarHBondContact O-N 2.86Å
203	G	39.5	Very low	58.1	Low	53 Å²	53	62.7 Å²	62.7	55%	0.546	34%	0.337	S	S	.	.	S	Bend	trans	73.2	-32.9	147.4	0	0	0	0	0	120.2	Y205	G203-Y205 VanDerWaalsContact C-N 3.34Å; G203-Y205 VanDerWaalsContact O-CD2 3.28Å; G203-Y205 WeakPolarHBondContact O-CD2 3.12Å; G203-Y205 PolarHBondContact O-N 3.08Å
204	E	39.9	Very low	57	Low	156 Å²	156	67.3 Å²	67.3	73%	0.729	36%	0.362	S	S	*	.			trans	-81.8	79.4	179.7	-72	-175.4	159.7	0	0	111.1	S202	S202-E204 VanDerWaalsContact C-N 3.31Å; S202-E204 PolarHBondContact O-N 2.86Å
205	Y	48.8	Very low	55.9	Low	138 Å²	138	72.4 Å²	72.4	54%	0.541	38%	0.382	S	S	.	.			trans	-74.6	129.5	179.1	-59.7	-63.3	0	0	0	112	G203 R279 K281	G203-Y205 VanDerWaalsContact C-N 3.34Å; G203-Y205 VanDerWaalsContact O-CD2 3.28Å; G203-Y205 WeakPolarHBondContact O-CD2 3.12Å; G203-Y205 PolarHBondContact O-N 3.08Å; Y205-R279 WeakPolarHBondContact CB-O 3.49Å; Y205-R279 WeakPolarHBondContact CD1-O 3.41Å; Y205-K281 HydrophobicContact CD2-CB 3.74Å; Y205-K281 HydrophobicContact CD2-CG 4.43Å; Y205-K281 HydrophobicContact CE2-CB 3.98Å; Y205-K281 HydrophobicContact CE2-CG 4.23Å; Y205-K281 HydrophobicContact CG-CB 4.34Å
206	V	47.7	Very low	54.6	Low	37 Å²	37	72.7 Å²	72.7	22%	0.224	39%	0.385	C	S	.	.			trans	-118.8	109.5	179.6	172.5	0	0	0	0	108.3	M197 V210 F211	M197-V206 HydrophobicContact CE-CG1 4.38Å; V206-V210 HydrophobicContact CB-CG1 4.44Å; V206-V210 HydrophobicContact CG1-CB 4Å; V206-V210 HydrophobicContact CG1-CG1 4.03Å; V206-V210 HydrophobicContact CG2-CG1 4.33Å; V206-F211 HydrophobicContact CG1-CB 4.23Å
207	S	50.1	Low	53.5	Low	40 Å²	40	78.7 Å²	78.7	28%	0.28	41%	0.409	S	S	.	.			trans	-67.1	165.4	165.7	-167.6	0	0	0	0	110.6	D209 V210 F211	S207-D209 VanDerWaalsContact C-N 3.27Å; S207-D209 PolarHBondContact O-N 2.84Å; S207-D209 PolarHBondContact OG-OD2 3.28Å; S207-V210 CarbonylContact O-C 2.97Å; S207-V210 WeakPolarHBondContact O-CA 3.34Å; S207-V210 WeakPolarHBondContact O-CB 3.15Å; S207-V210 PolarHBondContact O-N 2.96Å; S207-F211 PolarHBondContact O-N 3.46Å
208	E	51.4	Low	52.6	Low	87 Å²	87	84.9 Å²	84.9	41%	0.407	44%	0.435	S	S	.	.	H	α-helix	trans	-59.3	-39.2	172.6	-170.7	152.4	-148.5	0	0	111.5	V210 F211 W212 Y233	E208-V210 PolarHBondContact O-N 3.2Å; E208-F211 WeakPolarHBondContact O-CB 3.3Å; E208-F211 PolarHBondContact O-N 2.92Å; E208-W212 PolarHBondContact O-N 3.37Å; E208-Y233 WeakPolarHBondContact OE1-CE1 3.32Å; E208-Y233 PolarHBondContact OE1-OH 3.32Å
209	D	52.3	Low	51.6	Low	102 Å²	102	85.3 Å²	85.3	55%	0.545	44%	0.436	S	S	.	.	H	α-helix	trans	-59.9	-32.6	170.9	-40.7	-78.8	0	0	0	112.6	S207 K213	S207-D209 VanDerWaalsContact C-N 3.27Å; S207-D209 PolarHBondContact O-N 2.84Å; S207-D209 PolarHBondContact OG-OD2 3.28Å; D209-K213 WeakPolarHBondContact O-CB 3.38Å; D209-K213 VanDerWaalsContact O-CG 3.24Å; D209-K213 WeakPolarHBondContact O-CG 3.5Å; D209-K213 PolarHBondContact O-N 3.29Å
210	V	54.4	Low	50.9	Low	45 Å²	45	89.4 Å²	89.4	27%	0.273	45%	0.454	S	S	.	.	H	α-helix	trans	-83.6	-27	-178.3	-178.1	0	0	0	0	110.4	V206 S207 E208 N214	V206-V210 HydrophobicContact CB-CG1 4.44Å; V206-V210 HydrophobicContact CG1-CB 4Å; V206-V210 HydrophobicContact CG1-CG1 4.03Å; V206-V210 HydrophobicContact CG2-CG1 4.33Å; S207-V210 CarbonylContact O-C 2.97Å; S207-V210 WeakPolarHBondContact O-CA 3.34Å; S207-V210 WeakPolarHBondContact O-CB 3.15Å; S207-V210 PolarHBondContact O-N 2.96Å; E208-V210 PolarHBondContact O-N 3.2Å; V210-N214 VanDerWaalsContact CG1-ND2 3.3Å; V210-N214 WeakPolarHBondContact CG1-ND2 3.27Å; V210-N214 WeakPolarHBondContact O-CB 3.33Å; V210-N214 VanDerWaalsContact O-CG 3.28Å; V210-N214 PolarHBondContact O-N 3.02Å
211	F	57.3	Low	50.4	Low	11 Å²	11	89.7 Å²	89.7	5%	0.048	46%	0.462	C	S	.	.	H	α-helix	trans	-63.2	-51	165.9	177.9	-99.4	0	0	0	110.2	L190 M197 V206 S207 E208 Y215 Y233	L190-F211 HydrophobicContact CD1-CE2 4.49Å; L190-F211 HydrophobicContact CD1-CZ 3.92Å; M197-F211 HydrophobicContact SD-CD2 4.4Å; V206-F211 HydrophobicContact CG1-CB 4.23Å; S207-F211 PolarHBondContact O-N 3.46Å; E208-F211 WeakPolarHBondContact O-CB 3.3Å; E208-F211 PolarHBondContact O-N 2.92Å; F211-Y215 HydrophobicContact CD2-CD2 4.1Å; F211-Y215 HydrophobicContact CE2-CD2 4.41Å; F211-Y215 WeakPolarHBondContact O-CB 3.34Å; F211-Y215 WeakPolarHBondContact O-CD2 3.3Å; F211-Y215 PolarHBondContact O-N 3.42Å; F211-Y215 VanDerWaalsContact O-N 3.15Å; F211-Y233 HydrophobicContact CD1-CE2 4.35Å; F211-Y233 HydrophobicContact CE1-CD2 4.1Å; F211-Y233 HydrophobicContact CE1-CE2 4.03Å; F211-Y233 HydrophobicContact CZ-CD2 4.43Å; F211-Y233 HydrophobicContact CZ-CE2 4.49Å
212	W	62.1	Low	50.4	Low	76 Å²	76	94 Å²	94	29%	0.288	47%	0.474	S	S	.	.	H	α-helix	trans	-72.8	-31.4	178.9	-67.4	112.4	0	0	0	113.8	E208 G216 L219 V229 R230 Y233	E208-W212 PolarHBondContact O-N 3.37Å; W212-G216 WeakPolarHBondContact O-CA 3.24Å; W212-G216 PolarHBondContact O-N 2.92Å; W212-L219 HydrophobicContact CE3-CD1 4.39Å; W212-L219 HydrophobicContact CZ3-CD1 3.9Å; W212-V229 HydrophobicContact CH2-CG1 4.27Å; W212-R230 HydrophobicContact CH2-CG 3.86Å; W212-R230 HydrophobicContact CZ3-CG 4.48Å; W212-Y233 HydrophobicContact CZ2-CD1 4.48Å; W212-Y233 HydrophobicContact CZ2-CG 4.41Å
213	K	56.5	Low	51.3	Low	137 Å²	137	91.7 Å²	91.7	60%	0.596	46%	0.458	S	S	*	.	H	α-helix	trans	-68.5	-56.4	170.4	-77.3	172	176.9	173.5	0	111.7	D209 Y215 H217	D209-K213 WeakPolarHBondContact O-CB 3.38Å; D209-K213 VanDerWaalsContact O-CG 3.24Å; D209-K213 WeakPolarHBondContact O-CG 3.5Å; D209-K213 PolarHBondContact O-N 3.29Å; K213-Y215 VanDerWaalsContact C-N 3.27Å; K213-Y215 PolarHBondContact O-N 2.89Å; K213-H217 PolarHBondContact O-CD2 3.39Å
214	N	51.7	Low	52.3	Low	110 Å²	110	94.2 Å²	94.2	59%	0.588	47%	0.467	S	S	*	.	H	α-helix	trans	-68.4	-23.4	-171.8	-67.3	-2.1	0	0	0	113.9	V210	V210-N214 VanDerWaalsContact CG1-ND2 3.3Å; V210-N214 WeakPolarHBondContact CG1-ND2 3.27Å; V210-N214 WeakPolarHBondContact O-CB 3.33Å; V210-N214 VanDerWaalsContact O-CG 3.28Å; V210-N214 PolarHBondContact O-N 3.02Å
215	Y	53.6	Low	53.5	Low	110 Å²	110	90.9 Å²	90.9	43%	0.431	45%	0.449	S	S	.	.	H	α-helix	trans	-113.8	-25.2	178.6	-61.1	-77.1	0	0	0	114.1	T193 F211 K213 K218	T193-Y215 HydrophobicContact CG2-CD1 4.37Å; T193-Y215 HydrophobicContact CG2-CE1 3.77Å; T193-Y215 HydrophobicContact CG2-CE2 3.95Å; F211-Y215 HydrophobicContact CD2-CD2 4.1Å; F211-Y215 HydrophobicContact CE2-CD2 4.41Å; F211-Y215 WeakPolarHBondContact O-CB 3.34Å; F211-Y215 WeakPolarHBondContact O-CD2 3.3Å; F211-Y215 PolarHBondContact O-N 3.42Å; F211-Y215 VanDerWaalsContact O-N 3.15Å; K213-Y215 VanDerWaalsContact C-N 3.27Å; K213-Y215 PolarHBondContact O-N 2.89Å; Y215-K218 PolarHBondContact O-N 3.02Å
216	G	52.9	Low	54.3	Low	6 Å²	6	84.5 Å²	84.5	6%	0.062	42%	0.424	C	S	.	.	H	α-helix	trans	-75.9	-21	-176.2	0	0	0	0	0	115.6	W212 K218 L219 N220	W212-G216 WeakPolarHBondContact O-CA 3.24Å; W212-G216 PolarHBondContact O-N 2.92Å; G216-K218 PolarHBondContact O-N 2.63Å; G216-L219 WeakPolarHBondContact O-CA 3.39Å; G216-L219 PolarHBondContact O-N 3.16Å; G216-N220 PolarHBondContact O-N 3Å; G216-N220 VanDerWaalsContact O-N 3.12Å; G216-N220 PolarHBondContact O-OD1 3.32Å
217	H	49.9	Very low	55.5	Low	155 Å²	155	87 Å²	87	72%	0.718	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-8	169	-75	-63.7	0	0	0	114	K213	K213-H217 PolarHBondContact O-CD2 3.39Å
218	K	50.8	Low	56.6	Low	171 Å²	171	86.6 Å²	86.6	74%	0.743	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117	14.6	167.4	-68.3	-174.1	176.5	178	0	114.1	Y215 G216	Y215-K218 PolarHBondContact O-N 3.02Å; G216-K218 PolarHBondContact O-N 2.63Å
219	L	49.7	Very low	57.7	Low	17 Å²	17	82.9 Å²	82.9	9%	0.089	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-6.8	174.3	-54.7	177.5	0	0	0	112.9	W212 G216 S221 Y225 S226 V229	W212-L219 HydrophobicContact CE3-CD1 4.39Å; W212-L219 HydrophobicContact CZ3-CD1 3.9Å; G216-L219 WeakPolarHBondContact O-CA 3.39Å; G216-L219 PolarHBondContact O-N 3.16Å; L219-S221 PolarHBondContact O-N 3.32Å; L219-Y225 HydrophobicContact CD2-CD1 3.67Å; L219-Y225 HydrophobicContact CD2-CE1 3.82Å; L219-S226 WeakPolarHBondContact CA-OG 3.21Å; L219-S226 WeakPolarHBondContact O-CB 3.44Å; L219-S226 PolarHBondContact O-OG 3.37Å; L219-V229 HydrophobicContact CD1-CG1 4.42Å
220	N	48.4	Very low	58.9	Low	132 Å²	132	82.8 Å²	82.8	71%	0.706	41%	0.406	S	S	*	.			trans	-68.5	-9.1	179.5	-79.9	12.6	0	0	0	115.3	G216	G216-N220 PolarHBondContact O-N 3Å; G216-N220 VanDerWaalsContact O-N 3.12Å; G216-N220 PolarHBondContact O-OD1 3.32Å
221	S	47.7	Very low	60.1	Low	77 Å²	77	82.1 Å²	82.1	54%	0.538	40%	0.401	S	S	.	.	S	Bend	trans	-77.5	147.5	162.8	63.6	0	0	0	0	109.9	L219 S223 S226	L219-S221 PolarHBondContact O-N 3.32Å; S221-S223 PolarHBondContact O-N 2.99Å; S221-S226 PolarHBondContact O-OG 2.89Å
222	K	53.1	Low	61.4	Low	224 Å²	224	81.7 Å²	81.7	97%	0.974	40%	0.399	S	S	*	.			trans	-69.1	41.8	176.1	-64.6	-175.2	177.6	-178.9	0	113
223	S	60.2	Low	62.3	Low	42 Å²	42	79.2 Å²	79.2	29%	0.294	39%	0.39	S	S	.	.			trans	-77.9	143.8	-178.6	80.7	0	0	0	0	111.6	S221 Y225 S226	S221-S223 PolarHBondContact O-N 2.99Å; S223-Y225 PolarHBondContact O-N 3.4Å; S223-Y225 VanDerWaalsContact O-N 3.08Å; S223-S226 WeakPolarHBondContact O-CB 3.16Å; S223-S226 PolarHBondContact O-N 3.23Å; S223-S226 PolarHBondContact OG-N 2.84Å; S223-S226 PolarHBondContact OG-OG 3.31Å; S223-S226 VanDerWaalsContact OG-OG 3.04Å
224	S	60.3	Low	63.4	Low	106 Å²	106	77.7 Å²	77.7	74%	0.741	39%	0.385	S	S	*	.	H	α-helix	trans	-51	-32.4	172.3	170	0	0	0	0	112.8	S226 Q227 S228	S224-S226 PolarHBondContact O-N 3.29Å; S224-Q227 PolarHBondContact O-N 2.94Å; S224-S228 WeakPolarHBondContact O-CB 3.35Å; S224-S228 PolarHBondContact O-N 3.19Å
225	Y	64.8	Low	64.9	Low	85 Å²	85	73 Å²	73	33%	0.333	36%	0.36	S	S	.	.	H	α-helix	trans	-63.1	-39.3	176.1	-173.6	-88.4	0	0	0	112.9	P187 R189 L219 S223 S228 V229	P187-Y225 HydrophobicContact CB-CE2 3.9Å; P187-Y225 WeakPolarHBondContact CB-OH 3.44Å; P187-Y225 HydrophobicContact CG-CE2 4.44Å; R189-Y225 WeakPolarHBondContact CB-OH 3.43Å; L219-Y225 HydrophobicContact CD2-CD1 3.67Å; L219-Y225 HydrophobicContact CD2-CE1 3.82Å; S223-Y225 PolarHBondContact O-N 3.4Å; S223-Y225 VanDerWaalsContact O-N 3.08Å; Y225-S228 PolarHBondContact O-N 3.39Å; Y225-V229 HydrophobicContact CD1-CG2 4.1Å; Y225-V229 HydrophobicContact CE1-CG2 3.61Å; Y225-V229 WeakPolarHBondContact O-CG2 3.34Å; Y225-V229 PolarHBondContact O-N 3.2Å
226	S	66.3	Low	66.3	Low	5 Å²	5	67.9 Å²	67.9	4%	0.035	34%	0.34	C	S	.	.	H	α-helix	trans	-63.1	-44.9	179.4	-53.5	0	0	0	0	111.4	L219 S221 S223 S224 V229 R230	L219-S226 WeakPolarHBondContact CA-OG 3.21Å; L219-S226 WeakPolarHBondContact O-CB 3.44Å; L219-S226 PolarHBondContact O-OG 3.37Å; S221-S226 PolarHBondContact O-OG 2.89Å; S223-S226 WeakPolarHBondContact O-CB 3.16Å; S223-S226 PolarHBondContact O-N 3.23Å; S223-S226 PolarHBondContact OG-N 2.84Å; S223-S226 PolarHBondContact OG-OG 3.31Å; S223-S226 VanDerWaalsContact OG-OG 3.04Å; S224-S226 PolarHBondContact O-N 3.29Å; S226-V229 PolarHBondContact O-N 3.16Å; S226-R230 PolarHBondContact O-N 3.24Å
227	Q	71.5	Confident	67.6	Low	90 Å²	90	68.7 Å²	68.7	42%	0.421	34%	0.344	S	S	.	.	H	α-helix	trans	-70.5	-41.1	178.1	-161.8	56.9	34.1	0	0	111.6	S224 V229 R230 N231	S224-Q227 PolarHBondContact O-N 2.94Å; Q227-V229 PolarHBondContact O-N 3.31Å; Q227-R230 PolarHBondContact O-N 3.04Å; Q227-N231 WeakPolarHBondContact CG-OD1 3.42Å; Q227-N231 PolarHBondContact NE2-OD1 2.81Å; Q227-N231 PolarHBondContact O-N 3.28Å; Q227-N231 PolarHBondContact O-OD1 2.99Å
228	S	73.5	Confident	69	Low	31 Å²	31	63.4 Å²	63.4	22%	0.217	33%	0.325	C	S	.	.	H	α-helix	trans	-56.4	-34.5	173.4	-177	0	0	0	0	113.1	S224 Y225 W232	S224-S228 WeakPolarHBondContact O-CB 3.35Å; S224-S228 PolarHBondContact O-N 3.19Å; Y225-S228 PolarHBondContact O-N 3.39Å; S228-W232 WeakPolarHBondContact O-CB 3.45Å; S228-W232 VanDerWaalsContact O-CD1 3.29Å; S228-W232 PolarHBondContact O-N 2.87Å
229	V	75.6	Confident	70.4	Confident	9 Å²	9	55.2 Å²	55.2	6%	0.055	29%	0.289	C	S	.	.	H	α-helix	trans	-70.8	-38.5	174.3	171.1	0	0	0	0	112.3	P187 W212 L219 Y225 S226 Q227 Y233	P187-V229 HydrophobicContact CB-CG2 4.14Å; P187-V229 HydrophobicContact CG-CG2 3.88Å; W212-V229 HydrophobicContact CH2-CG1 4.27Å; L219-V229 HydrophobicContact CD1-CG1 4.42Å; Y225-V229 HydrophobicContact CD1-CG2 4.1Å; Y225-V229 HydrophobicContact CE1-CG2 3.61Å; Y225-V229 WeakPolarHBondContact O-CG2 3.34Å; Y225-V229 PolarHBondContact O-N 3.2Å; S226-V229 PolarHBondContact O-N 3.16Å; Q227-V229 PolarHBondContact O-N 3.31Å; V229-Y233 WeakPolarHBondContact O-CB 3.44Å; V229-Y233 PolarHBondContact O-N 3.22Å
230	R	76.9	Confident	71.6	Confident	100 Å²	100	57.8 Å²	57.8	38%	0.377	30%	0.303	S	S	.	.	H	α-helix	trans	-65.9	-55.1	176.9	-73.8	-171.4	-172.7	119.8	-1.1	112.4	W212 S226 Q227 W232 Y233 E234	W212-R230 HydrophobicContact CH2-CG 3.86Å; W212-R230 HydrophobicContact CZ3-CG 4.48Å; S226-R230 PolarHBondContact O-N 3.24Å; Q227-R230 PolarHBondContact O-N 3.04Å; R230-W232 PolarHBondContact O-N 3.1Å; R230-W232 VanDerWaalsContact O-N 3.14Å; R230-Y233 WeakPolarHBondContact O-CA 3.28Å; R230-Y233 WeakPolarHBondContact O-CB 3.14Å; R230-Y233 PolarHBondContact O-N 3.08Å; R230-E234 PolarHBondContact O-N 3.45Å
231	N	80.2	Confident	72.8	Confident	31 Å²	31	56.7 Å²	56.7	17%	0.166	31%	0.305	C	S	.	.	H	α-helix	trans	-56.1	-36.2	178.1	-66	51.1	0	0	0	111.8	M182 Q227 L235	M182-N231 HydrophobicContact CE-CB 3.96Å; M182-N231 HydrophobicContact SD-CB 4.28Å; Q227-N231 WeakPolarHBondContact CG-OD1 3.42Å; Q227-N231 PolarHBondContact NE2-OD1 2.81Å; Q227-N231 PolarHBondContact O-N 3.28Å; Q227-N231 PolarHBondContact O-OD1 2.99Å; N231-L235 WeakPolarHBondContact O-CB 3.4Å; N231-L235 PolarHBondContact O-N 3.07Å; N231-L235 VanDerWaalsContact O-N 3.11Å
232	W	82.8	Confident	74.3	Confident	1 Å²	1	53.6 Å²	53.6	0%	0.004	28%	0.283	C	S	.	.	H	α-helix	trans	-76.8	-23	173.9	-90.9	115.6	0	0	0	114.6	S116 R120 M182 S183 P186 L190 S228 R230 L235 L236	S116-W232 WeakPolarHBondContact O-CH2 3.39Å; R120-W232 HydrophobicContact CB-CH2 4.13Å; M182-W232 HydrophobicContact CE-CB 4.32Å; M182-W232 HydrophobicContact CE-CD2 3.58Å; M182-W232 HydrophobicContact CE-CE3 4.09Å; M182-W232 HydrophobicContact CE-CG 3.65Å; M182-W232 HydrophobicContact CE-CZ2 4.46Å; S183-W232 VanDerWaalsContact O-CZ2 3.32Å; S183-W232 WeakPolarHBondContact O-CZ2 3.37Å; S183-W232 PolarHBondContact OG-NE1 3.48Å; P186-W232 HydrophobicContact CB-CD2 3.83Å; P186-W232 HydrophobicContact CB-CE3 4.18Å; P186-W232 HydrophobicContact CB-CG 4.03Å; P186-W232 HydrophobicContact CG-CD2 3.91Å; P186-W232 HydrophobicContact CG-CE3 3.83Å; P186-W232 HydrophobicContact CG-CH2 4.03Å; P186-W232 HydrophobicContact CG-CZ2 4.09Å; P186-W232 HydrophobicContact CG-CZ3 3.91Å; L190-W232 HydrophobicContact CD2-CB 3.8Å; S228-W232 WeakPolarHBondContact O-CB 3.45Å; S228-W232 VanDerWaalsContact O-CD1 3.29Å; S228-W232 PolarHBondContact O-N 2.87Å; R230-W232 PolarHBondContact O-N 3.1Å; R230-W232 VanDerWaalsContact O-N 3.14Å; W232-L235 HydrophobicContact CE3-CD2 4.17Å; W232-L235 HydrophobicContact CZ3-CD2 4Å; W232-L236 HydrophobicContact CE3-CD1 4.48Å; W232-L236 HydrophobicContact CE3-CG 4.29Å; W232-L236 WeakPolarHBondContact O-CB 3.45Å; W232-L236 WeakPolarHBondContact O-CD1 3.41Å; W232-L236 WeakPolarHBondContact O-CG 3.27Å; W232-L236 PolarHBondContact O-N 3.15Å
233	Y	81.4	Confident	75.5	Confident	25 Å²	25	43.5 Å²	43.5	10%	0.098	24%	0.239	C	C	.	.	H	α-helix	trans	-72.3	-56.5	171.9	-171.6	-96.2	0	0	0	109.2	E208 F211 W212 V229 R230 L235 L236 S237 P275	E208-Y233 WeakPolarHBondContact OE1-CE1 3.32Å; E208-Y233 PolarHBondContact OE1-OH 3.32Å; F211-Y233 HydrophobicContact CD1-CE2 4.35Å; F211-Y233 HydrophobicContact CE1-CD2 4.1Å; F211-Y233 HydrophobicContact CE1-CE2 4.03Å; F211-Y233 HydrophobicContact CZ-CD2 4.43Å; F211-Y233 HydrophobicContact CZ-CE2 4.49Å; W212-Y233 HydrophobicContact CZ2-CD1 4.48Å; W212-Y233 HydrophobicContact CZ2-CG 4.41Å; V229-Y233 WeakPolarHBondContact O-CB 3.44Å; V229-Y233 PolarHBondContact O-N 3.22Å; R230-Y233 WeakPolarHBondContact O-CA 3.28Å; R230-Y233 WeakPolarHBondContact O-CB 3.14Å; R230-Y233 PolarHBondContact O-N 3.08Å; Y233-L235 VanDerWaalsContact C-N 3.34Å; Y233-L235 PolarHBondContact O-N 3.15Å; Y233-L236 CarbonylContact O-C 3.28Å; Y233-L236 WeakPolarHBondContact O-CA 3.43Å; Y233-L236 PolarHBondContact O-N 2.66Å; Y233-S237 PolarHBondContact O-N 3.23Å; Y233-S237 PolarHBondContact O-OG 2.59Å; Y233-S237 VanDerWaalsContact O-OG 3.09Å; Y233-P275 HydrophobicContact CD2-CB 3.97Å; Y233-P275 HydrophobicContact CE1-CB 4.41Å; Y233-P275 HydrophobicContact CE2-CB 3.46Å; Y233-P275 VanDerWaalsContact CE2-CB 3.46Å
234	E	80.5	Confident	76.1	Confident	104 Å²	104	43.4 Å²	43.4	49%	0.486	24%	0.239	S	C	.	.	H	α-helix	trans	-52.6	-47.4	178.2	-68.5	147.7	-153.6	0	0	112	R230 L236 S237 S238	R230-E234 PolarHBondContact O-N 3.45Å; E234-L236 VanDerWaalsContact C-N 3.32Å; E234-L236 PolarHBondContact O-N 3.21Å; E234-S237 WeakPolarHBondContact O-CB 3.31Å; E234-S237 PolarHBondContact O-N 2.82Å; E234-S237 VanDerWaalsContact O-N 3.16Å; E234-S238 PolarHBondContact O-N 3.3Å; E234-S238 PolarHBondContact O-OG 3.21Å
235	L	83	Confident	76.7	Confident	13 Å²	13	44.6 Å²	44.6	7%	0.068	24%	0.236	C	C	.	.	H	α-helix	trans	-65.4	-30.5	177.4	-173.9	63	0	0	0	113.3	V119 R120 Q123 M182 N231 W232 Y233 S238 A239 I242	V119-L235 HydrophobicContact CG1-CD1 3.71Å; V119-L235 HydrophobicContact CG1-CG 3.74Å; V119-L235 WeakPolarHBondContact CG1-O 3.36Å; R120-L235 HydrophobicContact CB-CD2 4.28Å; Q123-L235 HydrophobicContact CB-CD1 4.03Å; Q123-L235 HydrophobicContact CG-CD1 3.9Å; M182-L235 HydrophobicContact CE-CB 4.46Å; M182-L235 HydrophobicContact CE-CD2 3.73Å; M182-L235 HydrophobicContact SD-CD2 4.06Å; N231-L235 WeakPolarHBondContact O-CB 3.4Å; N231-L235 PolarHBondContact O-N 3.07Å; N231-L235 VanDerWaalsContact O-N 3.11Å; W232-L235 HydrophobicContact CE3-CD2 4.17Å; W232-L235 HydrophobicContact CZ3-CD2 4Å; Y233-L235 VanDerWaalsContact C-N 3.34Å; Y233-L235 PolarHBondContact O-N 3.15Å; L235-S238 PolarHBondContact O-OG 3.36Å; L235-A239 PolarHBondContact O-N 3.47Å; L235-I242 HydrophobicContact CD1-CD1 4.05Å
236	L	83.3	Confident	77.1	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-85.1	-17.8	174.9	-68.1	178.1	0	0	0	112.8	L194 W232 Y233 E234 A239 W269 P275	L194-L236 HydrophobicContact CD1-CD1 4.37Å; W232-L236 HydrophobicContact CE3-CD1 4.48Å; W232-L236 HydrophobicContact CE3-CG 4.29Å; W232-L236 WeakPolarHBondContact O-CB 3.45Å; W232-L236 WeakPolarHBondContact O-CD1 3.41Å; W232-L236 WeakPolarHBondContact O-CG 3.27Å; W232-L236 PolarHBondContact O-N 3.15Å; Y233-L236 CarbonylContact O-C 3.28Å; Y233-L236 WeakPolarHBondContact O-CA 3.43Å; Y233-L236 PolarHBondContact O-N 2.66Å; E234-L236 VanDerWaalsContact C-N 3.32Å; E234-L236 PolarHBondContact O-N 3.21Å; L236-A239 WeakPolarHBondContact O-CB 3.2Å; L236-W269 HydrophobicContact CD2-CH2 4.06Å; L236-W269 HydrophobicContact CD2-CZ2 4.36Å; L236-P275 HydrophobicContact CB-CG 4.25Å; L236-P275 WeakPolarHBondContact O-CD 3.46Å
237	S	79.5	Confident	77.6	Confident	23 Å²	23	46 Å²	46	16%	0.161	25%	0.253	C	S	.	.	H	α-helix	trans	-71.5	-46.4	169.3	-61.4	0	0	0	0	111.3	Y233 E234 A239 P275 N276	Y233-S237 PolarHBondContact O-N 3.23Å; Y233-S237 PolarHBondContact O-OG 2.59Å; Y233-S237 VanDerWaalsContact O-OG 3.09Å; E234-S237 WeakPolarHBondContact O-CB 3.31Å; E234-S237 PolarHBondContact O-N 2.82Å; E234-S237 VanDerWaalsContact O-N 3.16Å; S237-A239 PolarHBondContact O-N 3.41Å; S237-P275 WeakPolarHBondContact OG-CG 3.25Å; S237-N276 WeakPolarHBondContact CB-OD1 3.46Å; S237-N276 PolarHBondContact OG-OD1 3.37Å
238	S	79.9	Confident	77.9	Confident	43 Å²	43	41.9 Å²	41.9	30%	0.301	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-0	176.7	58.5	0	0	0	0	114.6	E234 L235 D240 S241 I242	E234-S238 PolarHBondContact O-N 3.3Å; E234-S238 PolarHBondContact O-OG 3.21Å; L235-S238 PolarHBondContact O-OG 3.36Å; S238-D240 PolarHBondContact O-N 2.99Å; S238-D240 VanDerWaalsContact O-N 3.07Å; S238-S241 PolarHBondContact O-N 3.12Å; S238-S241 PolarHBondContact O-OG 2.87Å; S238-I242 PolarHBondContact O-N 3.11Å; S238-I242 WeakPolarHBondContact OG-CD1 3.37Å
239	A	80	Confident	78	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-52.5	-34.9	-176.1	0	0	0	0	0	114.5	V119 L235 L236 S237 S241 I242 I243 W269	V119-A239 HydrophobicContact CG1-CB 4.49Å; V119-A239 HydrophobicContact CG2-CB 3.69Å; L235-A239 PolarHBondContact O-N 3.47Å; L236-A239 WeakPolarHBondContact O-CB 3.2Å; S237-A239 PolarHBondContact O-N 3.41Å; A239-S241 VanDerWaalsContact C-N 3.33Å; A239-S241 PolarHBondContact O-N 3.12Å; A239-I242 PolarHBondContact O-N 3.37Å; A239-I243 HydrophobicContact CB-CD1 4.02Å; A239-I243 WeakPolarHBondContact O-CB 3.32Å; A239-I243 WeakPolarHBondContact O-CD1 3.37Å; A239-I243 WeakPolarHBondContact O-CG1 3.33Å; A239-I243 PolarHBondContact O-N 3.21Å; A239-W269 HydrophobicContact CB-CZ2 4.08Å
240	D	73.9	Confident	77.9	Confident	71 Å²	71	48.4 Å²	48.4	38%	0.38	26%	0.264	S	S	.	.	H	α-helix	trans	-74.9	-18.6	-177.2	-153.2	50.9	0	0	0	113.6	S238	S238-D240 PolarHBondContact O-N 2.99Å; S238-D240 VanDerWaalsContact O-N 3.07Å
241	S	75.3	Confident	77.8	Confident	108 Å²	108	43.6 Å²	43.6	76%	0.755	25%	0.246	S	C	*	.	H	α-helix	trans	-91.3	-10.2	170	62.7	0	0	0	0	113.7	S238 A239	S238-S241 PolarHBondContact O-N 3.12Å; S238-S241 PolarHBondContact O-OG 2.87Å; A239-S241 VanDerWaalsContact C-N 3.33Å; A239-S241 PolarHBondContact O-N 3.12Å
242	I	77.7	Confident	77.3	Confident	13 Å²	13	43.3 Å²	43.3	7%	0.067	25%	0.246	C	C	.	.	H	α-helix	trans	-100.8	-36.5	-178.7	-62.8	164.2	0	0	0	111.5	V119 R122 I126 L235 S238 A239	V119-I242 HydrophobicContact CG1-CB 4.38Å; V119-I242 HydrophobicContact CG1-CD1 3.79Å; V119-I242 HydrophobicContact CG1-CG2 4.13Å; R122-I242 HydrophobicContact CB-CG2 3.79Å; R122-I242 HydrophobicContact CG-CG2 3.93Å; R122-I242 WeakPolarHBondContact CG-O 3.25Å; I126-I242 HydrophobicContact CD1-CG2 4.36Å; L235-I242 HydrophobicContact CD1-CD1 4.05Å; S238-I242 PolarHBondContact O-N 3.11Å; S238-I242 WeakPolarHBondContact OG-CD1 3.37Å; A239-I242 PolarHBondContact O-N 3.37Å
243	I	78.3	Confident	76.6	Confident	12 Å²	12	49.5 Å²	49.5	6%	0.062	28%	0.279	C	S	.	.			trans	-87.7	113.6	-175.8	-57.5	165.9	0	0	0	110.4	V115 V119 A239 D247 W248 I251	V115-I243 HydrophobicContact CG1-CD1 3.83Å; V119-I243 HydrophobicContact CG2-CD1 3.55Å; V119-I243 HydrophobicContact CG2-CG1 3.65Å; A239-I243 HydrophobicContact CB-CD1 4.02Å; A239-I243 WeakPolarHBondContact O-CB 3.32Å; A239-I243 WeakPolarHBondContact O-CD1 3.37Å; A239-I243 WeakPolarHBondContact O-CG1 3.33Å; A239-I243 PolarHBondContact O-N 3.21Å; I243-D247 HydrophobicContact CG2-CB 3.59Å; I243-W248 HydrophobicContact CD1-CH2 4.3Å; I243-W248 HydrophobicContact CD1-CZ2 3.91Å; I243-W248 HydrophobicContact CG2-CD2 4.29Å; I243-W248 HydrophobicContact CG2-CG 4.37Å; I243-W248 HydrophobicContact CG2-CZ2 4.02Å; I243-I251 HydrophobicContact CD1-CD1 4.33Å; I243-I251 HydrophobicContact CG2-CD1 3.86Å
244	S	74.4	Confident	75.6	Confident	40 Å²	40	51.9 Å²	51.9	28%	0.28	29%	0.293	S	S	.	.			trans	-71.8	167	173.4	70.4	0	0	0	0	112.8	T246 D247 W248	S244-T246 PolarHBondContact O-N 3.43Å; S244-T246 PolarHBondContact OG-OG1 3.45Å; S244-D247 VanDerWaalsContact CB-OD2 3.31Å; S244-D247 WeakPolarHBondContact CB-OD2 3.36Å; S244-D247 PolarHBondContact N-OD2 2.94Å; S244-D247 PolarHBondContact O-N 3.24Å; S244-D247 PolarHBondContact OG-N 2.91Å; S244-D247 PolarHBondContact OG-OD2 3.05Å; S244-W248 VanDerWaalsContact O-CD1 3.31Å
245	L	71.5	Confident	74.2	Confident	130 Å²	130	48.2 Å²	48.2	68%	0.681	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-35.7	175.2	-175.6	61.9	0	0	0	112.3
246	T	73.5	Confident	72.6	Confident	98 Å²	98	51.4 Å²	51.4	60%	0.601	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-38.4	176.7	25.7	0	0	0	0	112.9	S244 W248 T249	S244-T246 PolarHBondContact O-N 3.43Å; S244-T246 PolarHBondContact OG-OG1 3.45Å; T246-W248 PolarHBondContact O-N 2.75Å; T246-T249 WeakPolarHBondContact O-CB 3.29Å; T246-T249 PolarHBondContact O-N 3.38Å; T246-T249 PolarHBondContact O-OG1 2.85Å
247	D	77	Confident	71.1	Confident	22 Å²	22	60.5 Å²	60.5	12%	0.118	33%	0.334	C	S	.	.	H	α-helix	trans	-63.7	-27.5	-178.1	-64.7	-38.9	0	0	0	112.7	I243 S244 T249 E250 I251	I243-D247 HydrophobicContact CG2-CB 3.59Å; S244-D247 VanDerWaalsContact CB-OD2 3.31Å; S244-D247 WeakPolarHBondContact CB-OD2 3.36Å; S244-D247 PolarHBondContact N-OD2 2.94Å; S244-D247 PolarHBondContact O-N 3.24Å; S244-D247 PolarHBondContact OG-N 2.91Å; S244-D247 PolarHBondContact OG-OD2 3.05Å; D247-T249 PolarHBondContact O-N 3.2Å; D247-E250 WeakPolarHBondContact O-CB 3.45Å; D247-E250 PolarHBondContact O-N 2.9Å; D247-I251 VanDerWaalsContact O-CG1 3.32Å; D247-I251 WeakPolarHBondContact O-CG1 3.36Å; D247-I251 PolarHBondContact O-N 3.37Å
248	W	78.1	Confident	69.7	Low	4 Å²	4	61.6 Å²	61.6	2%	0.015	34%	0.34	C	S	.	.	H	α-helix	trans	-62.8	-26.5	173.3	-72.7	100.7	0	0	0	113.3	V115 I243 S244 T246 I251 S252 A265 R266 W269	V115-W248 HydrophobicContact CG2-CH2 3.98Å; V115-W248 HydrophobicContact CG2-CZ3 3.98Å; I243-W248 HydrophobicContact CD1-CH2 4.3Å; I243-W248 HydrophobicContact CD1-CZ2 3.91Å; I243-W248 HydrophobicContact CG2-CD2 4.29Å; I243-W248 HydrophobicContact CG2-CG 4.37Å; I243-W248 HydrophobicContact CG2-CZ2 4.02Å; S244-W248 VanDerWaalsContact O-CD1 3.31Å; T246-W248 PolarHBondContact O-N 2.75Å; W248-I251 HydrophobicContact CD2-CD1 4.24Å; W248-I251 HydrophobicContact CE3-CB 4.39Å; W248-I251 HydrophobicContact CE3-CD1 3.99Å; W248-I251 HydrophobicContact CE3-CG2 4.14Å; W248-I251 HydrophobicContact CH2-CD1 4.43Å; W248-I251 HydrophobicContact CZ3-CD1 4.1Å; W248-I251 HydrophobicContact CZ3-CG2 4.08Å; W248-S252 WeakPolarHBondContact O-CB 3.31Å; W248-S252 PolarHBondContact O-N 3.16Å; W248-S252 VanDerWaalsContact O-N 3.11Å; W248-A265 HydrophobicContact CE3-CB 4.03Å; W248-A265 HydrophobicContact CZ3-CB 4.26Å; W248-R266 HydrophobicContact CD2-CB 3.64Å; W248-R266 HydrophobicContact CD2-CG 3.95Å; W248-R266 HydrophobicContact CE3-CB 3.89Å; W248-R266 HydrophobicContact CG-CB 4.01Å; W248-R266 HydrophobicContact CG-CG 4.25Å; W248-R266 HydrophobicContact CZ2-CB 4.43Å; W248-R266 HydrophobicContact CZ2-CG 4.15Å; W248-R266 HydrophobicContact CZ3-CB 4.41Å; W248-W269 HydrophobicContact CH2-CB 3.43Å; W248-W269 VanDerWaalsContact CH2-CB 3.43Å; W248-W269 AromaticContact CH2-CD1 3.75Å; W248-W269 HydrophobicContact CH2-CD2 4.35Å; W248-W269 AromaticContact CH2-CG 3.55Å; W248-W269 HydrophobicContact CH2-CG 3.55Å; W248-W269 HydrophobicContact CZ2-CB 4.28Å; W248-W269 AromaticContact CZ2-CD1 4Å; W248-W269 HydrophobicContact CZ2-CG 4.25Å; W248-W269 HydrophobicContact CZ3-CB 4.03Å
249	T	74.4	Confident	68.5	Low	61 Å²	61	71 Å²	71	37%	0.374	37%	0.369	S	S	.	.	H	α-helix	trans	-72.1	-38.4	172.3	76.7	0	0	0	0	111.1	T246 D247 N253	T246-T249 WeakPolarHBondContact O-CB 3.29Å; T246-T249 PolarHBondContact O-N 3.38Å; T246-T249 PolarHBondContact O-OG1 2.85Å; D247-T249 PolarHBondContact O-N 3.2Å; T249-N253 WeakPolarHBondContact O-CB 3.31Å; T249-N253 VanDerWaalsContact O-CG 3.3Å; T249-N253 PolarHBondContact O-N 3.29Å; T249-N253 PolarHBondContact O-ND2 3.36Å
250	E	74.4	Confident	67.6	Low	115 Å²	115	71.9 Å²	71.9	54%	0.537	37%	0.373	S	S	.	.	H	α-helix	trans	-66.4	-47.6	173.2	-62.9	-147.8	153.8	0	0	112	D247 S252 N253 L254	D247-E250 WeakPolarHBondContact O-CB 3.45Å; D247-E250 PolarHBondContact O-N 2.9Å; E250-S252 PolarHBondContact O-N 3.4Å; E250-N253 CarbonylContact O-C 3.5Å; E250-N253 PolarHBondContact O-N 2.82Å; E250-L254 WeakPolarHBondContact O-CB 3.44Å; E250-L254 VanDerWaalsContact O-CG 3.27Å; E250-L254 WeakPolarHBondContact O-CG 3.22Å; E250-L254 PolarHBondContact O-N 3.1Å
251	I	75.6	Confident	67.3	Low	0 Å²	0	73.1 Å²	73.1	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-55.8	-40	178.1	-70.8	161.8	0	0	0	110.7	L111 V115 C118 I243 D247 W248	L111-I251 HydrophobicContact CD1-CG2 3.69Å; V115-I251 HydrophobicContact CG2-CD1 4.2Å; V115-I251 HydrophobicContact CG2-CG2 3.89Å; C118-I251 HydrophobicContact CB-CD1 4.03Å; C118-I251 HydrophobicContact CB-CG1 3.84Å; I243-I251 HydrophobicContact CD1-CD1 4.33Å; I243-I251 HydrophobicContact CG2-CD1 3.86Å; D247-I251 VanDerWaalsContact O-CG1 3.32Å; D247-I251 WeakPolarHBondContact O-CG1 3.36Å; D247-I251 PolarHBondContact O-N 3.37Å; W248-I251 HydrophobicContact CD2-CD1 4.24Å; W248-I251 HydrophobicContact CE3-CB 4.39Å; W248-I251 HydrophobicContact CE3-CD1 3.99Å; W248-I251 HydrophobicContact CE3-CG2 4.14Å; W248-I251 HydrophobicContact CH2-CD1 4.43Å; W248-I251 HydrophobicContact CZ3-CD1 4.1Å; W248-I251 HydrophobicContact CZ3-CG2 4.08Å
252	S	69.4	Low	67.1	Low	25 Å²	25	71.2 Å²	71.2	18%	0.175	36%	0.361	C	S	.	.	H	α-helix	trans	-65.7	-47	173.2	-173.4	0	0	0	0	112.6	W248 E250 L254 E255 I260	W248-S252 WeakPolarHBondContact O-CB 3.31Å; W248-S252 PolarHBondContact O-N 3.16Å; W248-S252 VanDerWaalsContact O-N 3.11Å; E250-S252 PolarHBondContact O-N 3.4Å; S252-L254 PolarHBondContact O-N 2.98Å; S252-E255 PolarHBondContact O-N 2.9Å; S252-I260 PolarHBondContact OG-O 2.91Å
253	N	67	Low	66.7	Low	130 Å²	130	73.2 Å²	73.2	70%	0.695	37%	0.374	S	S	*	.	H	α-helix	trans	-71.7	-26.6	-177.9	-76	-41.6	0	0	0	114.3	T249 E250 E255	T249-N253 WeakPolarHBondContact O-CB 3.31Å; T249-N253 VanDerWaalsContact O-CG 3.3Å; T249-N253 PolarHBondContact O-N 3.29Å; T249-N253 PolarHBondContact O-ND2 3.36Å; E250-N253 CarbonylContact O-C 3.5Å; E250-N253 PolarHBondContact O-N 2.82Å; N253-E255 PolarHBondContact O-N 3.05Å
254	L	60.1	Low	66.3	Low	75 Å²	75	76.4 Å²	76.4	39%	0.393	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-24.5	177.7	-81.8	162.2	0	0	0	112.8	E250 S252 S256	E250-L254 WeakPolarHBondContact O-CB 3.44Å; E250-L254 VanDerWaalsContact O-CG 3.27Å; E250-L254 WeakPolarHBondContact O-CG 3.22Å; E250-L254 PolarHBondContact O-N 3.1Å; S252-L254 PolarHBondContact O-N 2.98Å; L254-S256 PolarHBondContact O-N 2.88Å
255	E	53.1	Low	66.3	Low	27 Å²	27	74.5 Å²	74.5	13%	0.126	38%	0.378	C	S	.	.			trans	-102.1	57.5	-163.7	-69.9	-101.9	95.2	0	0	112.8	S110 L111 S114 S252 N253 R257 T258	S110-E255 WeakPolarHBondContact CA-OE2 3.34Å; S110-E255 VanDerWaalsContact CB-CD 3.49Å; S110-E255 VanDerWaalsContact CB-OE1 3.24Å; S110-E255 WeakPolarHBondContact CB-OE1 3.39Å; S110-E255 WeakPolarHBondContact CB-OE2 3.5Å; S110-E255 VanDerWaalsContact OG-CD 3.22Å; S110-E255 PolarHBondContact OG-OE1 3.33Å; S110-E255 PolarHBondContact OG-OE2 3.35Å; L111-E255 WeakPolarHBondContact CA-OE2 3.39Å; L111-E255 PolarHBondContact N-OE2 2.79Å; S114-E255 WeakPolarHBondContact OG-CG 3.5Å; S252-E255 PolarHBondContact O-N 2.9Å; N253-E255 PolarHBondContact O-N 3.05Å; E255-R257 PolarHBondContact O-N 2.86Å; E255-T258 PolarHBondContact O-N 3.2Å
256	S	49.2	Very low	66.6	Low	81 Å²	81	72.9 Å²	72.9	57%	0.566	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	37.6	-170	56.6	0	0	0	0	118.5	L254	L254-S256 PolarHBondContact O-N 2.88Å
257	R	51	Low	66.6	Low	192 Å²	192	72 Å²	72	73%	0.725	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.4	-18.3	171.9	-72.6	-173	171.5	175.7	-2	115.4	E255 Y979	E255-R257 PolarHBondContact O-N 2.86Å; R257-Y979 PolarHBondContact NH2-OH 3.07Å
258	T	50.7	Low	66.6	Low	47 Å²	47	71.6 Å²	71.6	29%	0.288	35%	0.352	S	S	.	.	S	Bend	trans	-145.4	119.6	-173.3	44.7	0	0	0	0	110.6	E107 E255 I260	E107-T258 HydrophobicContact CG-CG2 4.02Å; E107-T258 WeakPolarHBondContact OE1-CG2 3.41Å; E255-T258 PolarHBondContact O-N 3.2Å; T258-I260 PolarHBondContact O-N 2.89Å
259	R	53.6	Low	66.7	Low	239 Å²	239	71.4 Å²	71.4	90%	0.902	35%	0.351	S	S	*	.			trans	-60.5	111.9	173.5	-70	-169.8	-175.3	-163.6	1.8	109.8	K101	K101-R259 PolarHBondContact NZ-O 2.69Å
260	I	60.9	Low	66.9	Low	19 Å²	19	70 Å²	70	10%	0.097	34%	0.342	C	S	.	.			trans	-119.3	139.4	171.7	-66.7	157.6	0	0	0	104	W103 S252 T258 A265	W103-I260 HydrophobicContact CH2-CB 4.41Å; W103-I260 HydrophobicContact CH2-CD1 3.63Å; W103-I260 HydrophobicContact CH2-CG1 3.74Å; W103-I260 HydrophobicContact CH2-CG2 3.73Å; W103-I260 HydrophobicContact CZ2-CG1 4.45Å; W103-I260 HydrophobicContact CZ2-CG2 4.18Å; W103-I260 HydrophobicContact CZ3-CD1 3.63Å; W103-I260 HydrophobicContact CZ3-CG1 4.12Å; S252-I260 PolarHBondContact OG-O 2.91Å; T258-I260 PolarHBondContact O-N 2.89Å; I260-A265 HydrophobicContact CG2-CB 3.77Å
261	N	67.8	Low	66.9	Low	98 Å²	98	66.9 Å²	66.9	52%	0.524	33%	0.327	S	S	.	.			trans	-84.5	142.5	168	-66.1	28.2	0	0	0	107.3	V263 N264 A265	N261-V263 VanDerWaalsContact C-N 3.27Å; N261-V263 PolarHBondContact O-N 2.94Å; N261-N264 HydrophobicContact CB-CB 4.28Å; N261-N264 CarbonylContact O-C 3.47Å; N261-N264 WeakPolarHBondContact O-CA 3.42Å; N261-N264 WeakPolarHBondContact O-CB 3.27Å; N261-N264 PolarHBondContact O-N 3.11Å; N261-A265 PolarHBondContact O-N 3.39Å
262	D	70.7	Confident	66.7	Low	67 Å²	67	71.3 Å²	71.3	36%	0.358	34%	0.343	S	S	.	.	H	α-helix	trans	-36.8	-53.1	165.8	56.4	-20.1	0	0	0	113.6	N264 A265 R266	D262-N264 VanDerWaalsContact C-N 3.33Å; D262-N264 PolarHBondContact O-N 2.89Å; D262-A265 WeakPolarHBondContact O-CB 3.41Å; D262-A265 PolarHBondContact O-N 2.79Å; D262-A265 VanDerWaalsContact O-N 3.15Å; D262-R266 PolarHBondContact O-N 2.85Å
263	V	69.1	Low	67.1	Low	56 Å²	56	70.1 Å²	70.1	34%	0.339	34%	0.335	S	S	.	.	H	α-helix	trans	-59.8	-42.7	177.2	178.9	0	0	0	0	111.4	N261 R266 L267	N261-V263 VanDerWaalsContact C-N 3.27Å; N261-V263 PolarHBondContact O-N 2.94Å; V263-R266 PolarHBondContact O-N 3.11Å; V263-L267 HydrophobicContact CG1-CD1 3.78Å; V263-L267 HydrophobicContact CG1-CG 4.28Å; V263-L267 WeakPolarHBondContact O-CB 2.97Å; V263-L267 VanDerWaalsContact O-CG 3.25Å; V263-L267 WeakPolarHBondContact O-CG 3.38Å; V263-L267 PolarHBondContact O-N 2.78Å
264	N	71.8	Confident	67.5	Low	78 Å²	78	65.5 Å²	65.5	42%	0.417	31%	0.309	S	S	.	.	H	α-helix	trans	-71.8	-29	178.7	-73	-30.6	0	0	0	112.5	N261 D262 T268	N261-N264 HydrophobicContact CB-CB 4.28Å; N261-N264 CarbonylContact O-C 3.47Å; N261-N264 WeakPolarHBondContact O-CA 3.42Å; N261-N264 WeakPolarHBondContact O-CB 3.27Å; N261-N264 PolarHBondContact O-N 3.11Å; D262-N264 VanDerWaalsContact C-N 3.33Å; D262-N264 PolarHBondContact O-N 2.89Å; N264-T268 WeakPolarHBondContact O-CB 3.39Å; N264-T268 PolarHBondContact O-N 3.22Å; N264-T268 VanDerWaalsContact O-N 3.11Å; N264-T268 PolarHBondContact O-OG1 3.38Å
265	A	72.5	Confident	68.1	Low	0 Å²	0	62.2 Å²	62.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-66.5	-51.9	171	0	0	0	0	0	110.2	L111 W248 I260 N261 D262 T268 W269	L111-A265 HydrophobicContact CD1-CB 4.08Å; W248-A265 HydrophobicContact CE3-CB 4.03Å; W248-A265 HydrophobicContact CZ3-CB 4.26Å; I260-A265 HydrophobicContact CG2-CB 3.77Å; N261-A265 PolarHBondContact O-N 3.39Å; D262-A265 WeakPolarHBondContact O-CB 3.41Å; D262-A265 PolarHBondContact O-N 2.79Å; D262-A265 VanDerWaalsContact O-N 3.15Å; A265-T268 PolarHBondContact O-N 2.88Å; A265-W269 PolarHBondContact O-N 3.39Å
266	R	78.4	Confident	69.2	Low	97 Å²	97	63.8 Å²	63.8	37%	0.366	30%	0.302	S	S	.	.	H	α-helix	trans	-59.1	-50.4	179.3	-172.9	173.8	-177.2	-149.7	-3.3	112.1	W248 D262 V263 T268 W269 I270	W248-R266 HydrophobicContact CD2-CB 3.64Å; W248-R266 HydrophobicContact CD2-CG 3.95Å; W248-R266 HydrophobicContact CE3-CB 3.89Å; W248-R266 HydrophobicContact CG-CB 4.01Å; W248-R266 HydrophobicContact CG-CG 4.25Å; W248-R266 HydrophobicContact CZ2-CB 4.43Å; W248-R266 HydrophobicContact CZ2-CG 4.15Å; W248-R266 HydrophobicContact CZ3-CB 4.41Å; D262-R266 PolarHBondContact O-N 2.85Å; V263-R266 PolarHBondContact O-N 3.11Å; R266-T268 VanDerWaalsContact C-N 3.31Å; R266-T268 PolarHBondContact O-N 3.15Å; R266-W269 WeakPolarHBondContact O-CB 3.29Å; R266-W269 PolarHBondContact O-N 2.9Å; R266-W269 VanDerWaalsContact O-N 3.12Å; R266-I270 HydrophobicContact CG-CD1 3.69Å; R266-I270 HydrophobicContact CG-CG1 4.41Å; R266-I270 WeakPolarHBondContact O-CG1 3.42Å; R266-I270 PolarHBondContact O-N 3.14Å
267	L	74.6	Confident	70.3	Confident	79 Å²	79	60.3 Å²	60.3	41%	0.414	28%	0.277	S	S	.	.	H	α-helix	trans	-62.5	-35.3	177	-68.8	174	0	0	0	112.6	V263 H271	V263-L267 HydrophobicContact CG1-CD1 3.78Å; V263-L267 HydrophobicContact CG1-CG 4.28Å; V263-L267 WeakPolarHBondContact O-CB 2.97Å; V263-L267 VanDerWaalsContact O-CG 3.25Å; V263-L267 WeakPolarHBondContact O-CG 3.38Å; V263-L267 PolarHBondContact O-N 2.78Å; L267-H271 WeakPolarHBondContact O-CB 3.41Å; L267-H271 PolarHBondContact O-CD2 2.91Å; L267-H271 VanDerWaalsContact O-CD2 3.24Å; L267-H271 PolarHBondContact O-N 3.09Å
268	T	77.1	Confident	71.5	Confident	13 Å²	13	52.9 Å²	52.9	8%	0.08	25%	0.251	C	S	.	.	H	α-helix	trans	-71.7	-32.3	175.3	-58.5	0	0	0	0	111.7	W103 L108 L111 N264 A265 R266 R272 L273	W103-T268 HydrophobicContact CD2-CG2 4.13Å; W103-T268 HydrophobicContact CH2-CG2 4.39Å; W103-T268 HydrophobicContact CZ2-CG2 3.9Å; W103-T268 VanDerWaalsContact CZ2-OG1 3.28Å; W103-T268 WeakPolarHBondContact CZ2-OG1 3.24Å; W103-T268 PolarHBondContact NE1-OG1 3.37Å; L108-T268 HydrophobicContact CD2-CG2 3.95Å; L111-T268 HydrophobicContact CD2-CG2 4.14Å; N264-T268 WeakPolarHBondContact O-CB 3.39Å; N264-T268 PolarHBondContact O-N 3.22Å; N264-T268 VanDerWaalsContact O-N 3.11Å; N264-T268 PolarHBondContact O-OG1 3.38Å; A265-T268 PolarHBondContact O-N 2.88Å; R266-T268 VanDerWaalsContact C-N 3.31Å; R266-T268 PolarHBondContact O-N 3.15Å; T268-R272 WeakPolarHBondContact O-CB 3.27Å; T268-R272 PolarHBondContact O-N 3.21Å; T268-L273 HydrophobicContact CG2-CD1 4.09Å; T268-L273 PolarHBondContact O-N 2.89Å
269	W	79.6	Confident	72.4	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.245	C	C	.	.	I	π-helix	trans	-65.4	-61.3	172.1	-175.4	-104.5	0	0	0	111.4	I112 V115 L236 A239 W248 A265 R266 H271 R272 L273 Q274	I112-W269 HydrophobicContact CG1-CZ3 4.34Å; V115-W269 HydrophobicContact CB-CE3 4.2Å; V115-W269 HydrophobicContact CB-CH2 4.36Å; V115-W269 HydrophobicContact CB-CZ3 4.06Å; V115-W269 HydrophobicContact CG1-CD2 4.05Å; V115-W269 HydrophobicContact CG1-CE3 4.01Å; V115-W269 HydrophobicContact CG1-CH2 3.69Å; V115-W269 HydrophobicContact CG1-CZ2 3.69Å; V115-W269 HydrophobicContact CG1-CZ3 3.84Å; V115-W269 HydrophobicContact CG2-CD2 4.23Å; V115-W269 HydrophobicContact CG2-CE3 3.91Å; V115-W269 HydrophobicContact CG2-CZ3 4.27Å; L236-W269 HydrophobicContact CD2-CH2 4.06Å; L236-W269 HydrophobicContact CD2-CZ2 4.36Å; A239-W269 HydrophobicContact CB-CZ2 4.08Å; W248-W269 HydrophobicContact CH2-CB 3.43Å; W248-W269 VanDerWaalsContact CH2-CB 3.43Å; W248-W269 AromaticContact CH2-CD1 3.75Å; W248-W269 HydrophobicContact CH2-CD2 4.35Å; W248-W269 AromaticContact CH2-CG 3.55Å; W248-W269 HydrophobicContact CH2-CG 3.55Å; W248-W269 HydrophobicContact CZ2-CB 4.28Å; W248-W269 AromaticContact CZ2-CD1 4Å; W248-W269 HydrophobicContact CZ2-CG 4.25Å; W248-W269 HydrophobicContact CZ3-CB 4.03Å; A265-W269 PolarHBondContact O-N 3.39Å; R266-W269 WeakPolarHBondContact O-CB 3.29Å; R266-W269 PolarHBondContact O-N 2.9Å; R266-W269 VanDerWaalsContact O-N 3.12Å; W269-H271 PolarHBondContact O-N 2.99Å; W269-R272 PolarHBondContact O-N 2.56Å; W269-L273 HydrophobicContact CD2-CB 4.28Å; W269-L273 HydrophobicContact CE3-CB 3.56Å; W269-L273 HydrophobicContact CE3-CD1 4.09Å; W269-L273 HydrophobicContact CE3-CG 4.49Å; W269-L273 HydrophobicContact CZ3-CB 3.86Å; W269-L273 PolarHBondContact O-N 3.03Å; W269-Q274 PolarHBondContact O-N 2.81Å
270	I	77.8	Confident	73.4	Confident	33 Å²	33	42.6 Å²	42.6	17%	0.169	21%	0.211	C	C	.	.	I	π-helix	trans	-60.4	-41.3	-174.6	-64.8	173.5	0	0	0	112	R266 I277 T315	R266-I270 HydrophobicContact CG-CD1 3.69Å; R266-I270 HydrophobicContact CG-CG1 4.41Å; R266-I270 WeakPolarHBondContact O-CG1 3.42Å; R266-I270 PolarHBondContact O-N 3.14Å; I270-I277 WeakPolarHBondContact O-CD1 3.38Å; I270-T315 WeakPolarHBondContact O-CG2 3.46Å
271	H	74.6	Confident	74.2	Confident	48 Å²	48	49.1 Å²	49.1	22%	0.222	24%	0.239	C	C	.	.	I	π-helix	trans	-95.4	-10.9	-175.5	-57.5	-51.5	0	0	0	115.3	L267 W269 T315	L267-H271 WeakPolarHBondContact O-CB 3.41Å; L267-H271 PolarHBondContact O-CD2 2.91Å; L267-H271 VanDerWaalsContact O-CD2 3.24Å; L267-H271 PolarHBondContact O-N 3.09Å; W269-H271 PolarHBondContact O-N 2.99Å; H271-T315 PolarHBondContact ND1-OG1 3.48Å
272	R	72.3	Confident	74.8	Confident	94 Å²	94	46.1 Å²	46.1	36%	0.355	22%	0.22	S	C	.	.	I	π-helix	trans	-134.4	-36.9	-176.4	-57.1	-173.7	177.5	-114.8	-2.4	115.8	A198 D201 T268 W269 R279	A198-R272 HydrophobicContact CB-CB 4.07Å; D201-R272 IonicContact OD1-NH1 2.71Å; T268-R272 WeakPolarHBondContact O-CB 3.27Å; T268-R272 PolarHBondContact O-N 3.21Å; W269-R272 PolarHBondContact O-N 2.56Å; R272-R279 PolarHBondContact O-NH2 2.87Å
273	L	76.6	Confident	75.5	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.217	C	C	.	.	I	π-helix	trans	-105.7	-27	-166.2	-65.9	166.4	0	0	0	115.8	L108 L111 I112 A198 T268 W269	L108-L273 HydrophobicContact CB-CD2 4.35Å; L108-L273 HydrophobicContact CD2-CD1 4.18Å; L108-L273 HydrophobicContact CD2-CD2 4.25Å; L108-L273 HydrophobicContact CD2-CG 4.49Å; L111-L273 HydrophobicContact CB-CD1 4.37Å; L111-L273 HydrophobicContact CD2-CD1 3.66Å; L111-L273 HydrophobicContact CG-CD1 4.04Å; I112-L273 HydrophobicContact CD1-CD2 3.98Å; I112-L273 HydrophobicContact CG1-CD1 4.4Å; I112-L273 HydrophobicContact CG1-CD2 3.97Å; A198-L273 HydrophobicContact CB-CD2 3.5Å; A198-L273 HydrophobicContact CB-CG 4.24Å; T268-L273 HydrophobicContact CG2-CD1 4.09Å; T268-L273 PolarHBondContact O-N 2.89Å; W269-L273 HydrophobicContact CD2-CB 4.28Å; W269-L273 HydrophobicContact CE3-CB 3.56Å; W269-L273 HydrophobicContact CE3-CD1 4.09Å; W269-L273 HydrophobicContact CE3-CG 4.49Å; W269-L273 HydrophobicContact CZ3-CB 3.86Å; W269-L273 PolarHBondContact O-N 3.03Å
274	Q	76.7	Confident	76.3	Confident	32 Å²	32	45.7 Å²	45.7	15%	0.15	23%	0.229	C	C	.	.			trans	-55.1	136	178.3	-172.9	-177.8	12.4	0	0	110.3	W269 I277 R279	W269-Q274 PolarHBondContact O-N 2.81Å; Q274-I277 HydrophobicContact CB-CD1 3.97Å; Q274-I277 HydrophobicContact CB-CG1 4.04Å; Q274-I277 WeakPolarHBondContact O-CG1 3.35Å; Q274-R279 PolarHBondContact O-NH2 3.27Å
275	P	72.6	Confident	77	Confident	7 Å²	7	48.4 Å²	48.4	5%	0.045	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-55.7	-173.7	17.3	-29.6	0	0	0	112.4	L194 Y233 L236 S237 I277 R279	L194-P275 HydrophobicContact CD2-CB 4.46Å; Y233-P275 HydrophobicContact CD2-CB 3.97Å; Y233-P275 HydrophobicContact CE1-CB 4.41Å; Y233-P275 HydrophobicContact CE2-CB 3.46Å; Y233-P275 VanDerWaalsContact CE2-CB 3.46Å; L236-P275 HydrophobicContact CB-CG 4.25Å; L236-P275 WeakPolarHBondContact O-CD 3.46Å; S237-P275 WeakPolarHBondContact OG-CG 3.25Å; P275-I277 PolarHBondContact O-N 3.13Å; P275-R279 PolarHBondContact O-NH1 3.34Å
276	N	74.9	Confident	77.7	Confident	60 Å²	60	49 Å²	49	32%	0.321	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-9.1	-171.3	-58.3	23.9	0	0	0	116.1	S237 N278 N313	S237-N276 WeakPolarHBondContact CB-OD1 3.46Å; S237-N276 PolarHBondContact OG-OD1 3.37Å; N276-N278 PolarHBondContact O-N 3.2Å; N276-N278 VanDerWaalsContact O-N 3.15Å; N276-N313 WeakPolarHBondContact O-CB 3.45Å
277	I	74.2	Confident	78.1	Confident	8 Å²	8	45.6 Å²	45.6	4%	0.041	23%	0.231	C	C	.	.			trans	-63.4	119.4	-179.7	-52.9	167.2	0	0	0	109.4	I270 Q274 P275 R279 T315 I318	I270-I277 WeakPolarHBondContact O-CD1 3.38Å; Q274-I277 HydrophobicContact CB-CD1 3.97Å; Q274-I277 HydrophobicContact CB-CG1 4.04Å; Q274-I277 WeakPolarHBondContact O-CG1 3.35Å; P275-I277 PolarHBondContact O-N 3.13Å; I277-R279 HydrophobicContact CG2-CG 4.41Å; I277-R279 WeakPolarHBondContact O-CG 3.41Å; I277-R279 PolarHBondContact O-N 2.78Å; I277-R279 PolarHBondContact O-NH1 3.11Å; I277-T315 HydrophobicContact CG1-CG2 4.3Å; I277-T315 HydrophobicContact CG2-CG2 4.3Å; I277-I318 HydrophobicContact CG2-CD1 3.78Å
278	N	74.1	Confident	78.8	Confident	35 Å²	35	49.2 Å²	49.2	19%	0.187	24%	0.244	C	C	.	.			trans	-66.6	108.3	174	178	3.1	0	0	0	110.5	N276 S280 T312 N313 R314	N276-N278 PolarHBondContact O-N 3.2Å; N276-N278 VanDerWaalsContact O-N 3.15Å; N278-S280 WeakPolarHBondContact OD1-CB 3.27Å; N278-S280 PolarHBondContact OD1-N 3.06Å; N278-S280 PolarHBondContact OD1-OG 3.27Å; N278-T312 WeakPolarHBondContact CB-O 3.43Å; N278-T312 PolarHBondContact ND2-O 2.95Å; N278-N313 HydrophobicContact CB-CB 4.13Å; N278-N313 PolarHBondContact N-O 3.14Å; N278-R314 HydrophobicContact CB-CG 4Å; N278-R314 PolarHBondContact O-NH1 3.06Å
279	R	71.4	Confident	79.3	Confident	43 Å²	43	53.9 Å²	53.9	16%	0.162	26%	0.26	C	S	.	.			trans	-106.2	22.2	177.5	-62.4	169.6	-167.3	86.1	-11.6	112	Y205 R272 Q274 P275 I277	Y205-R279 WeakPolarHBondContact CB-O 3.49Å; Y205-R279 WeakPolarHBondContact CD1-O 3.41Å; R272-R279 PolarHBondContact O-NH2 2.87Å; Q274-R279 PolarHBondContact O-NH2 3.27Å; P275-R279 PolarHBondContact O-NH1 3.34Å; I277-R279 HydrophobicContact CG2-CG 4.41Å; I277-R279 WeakPolarHBondContact O-CG 3.41Å; I277-R279 PolarHBondContact O-N 2.78Å; I277-R279 PolarHBondContact O-NH1 3.11Å
280	S	73.7	Confident	79.7	Confident	27 Å²	27	53.9 Å²	53.9	19%	0.189	26%	0.26	C	S	.	.	S	Bend	trans	-70.7	164.2	172.6	68.2	0	0	0	0	111.8	N278 R314	N278-S280 WeakPolarHBondContact OD1-CB 3.27Å; N278-S280 PolarHBondContact OD1-N 3.06Å; N278-S280 PolarHBondContact OD1-OG 3.27Å; S280-R314 PolarHBondContact O-NH1 3.22Å; S280-R314 PolarHBondContact O-NH2 3.2Å; S280-R314 PolarHBondContact OG-NH2 3.39Å
281	K	77.9	Confident	80.1	Confident	156 Å²	156	54 Å²	54	68%	0.678	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-61.5	137.4	166.3	-175.3	-170.3	172.3	-169.8	0	109.2	Y205 S283 R314	Y205-K281 HydrophobicContact CD2-CB 3.74Å; Y205-K281 HydrophobicContact CD2-CG 4.43Å; Y205-K281 HydrophobicContact CE2-CB 3.98Å; Y205-K281 HydrophobicContact CE2-CG 4.23Å; Y205-K281 HydrophobicContact CG-CB 4.34Å; K281-S283 PolarHBondContact O-N 2.98Å; K281-R314 PolarHBondContact O-NH2 2.69Å
282	W	81.3	Confident	80.7	Confident	35 Å²	35	57.8 Å²	57.8	13%	0.133	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-57.1	128.2	171.7	-72.4	87.2	0	0	0	111.2	E286 L290 L310 R314 I318 R322	W282-E286 WeakPolarHBondContact CA-OE2 3.4Å; W282-E286 HydrophobicContact CE3-CB 3.76Å; W282-E286 HydrophobicContact CZ3-CB 4.15Å; W282-L290 HydrophobicContact CH2-CD2 3.64Å; W282-L290 HydrophobicContact CZ2-CD2 4.48Å; W282-L290 HydrophobicContact CZ3-CB 4.37Å; W282-L290 HydrophobicContact CZ3-CD2 3.72Å; W282-L310 HydrophobicContact CH2-CD2 4.29Å; W282-L310 HydrophobicContact CZ3-CD2 4.1Å; W282-R314 VanDerWaalsContact CH2-CD 3.45Å; W282-I318 HydrophobicContact CZ2-CG2 3.91Å; W282-R322 HydrophobicContact CD2-CB 4.31Å; W282-R322 HydrophobicContact CD2-CG 3.7Å; W282-R322 HydrophobicContact CE3-CG 4Å; W282-R322 HydrophobicContact CG-CG 4.24Å; W282-R322 HydrophobicContact CH2-CB 3.91Å; W282-R322 HydrophobicContact CH2-CG 4.05Å; W282-R322 HydrophobicContact CZ2-CB 3.37Å; W282-R322 HydrophobicContact CZ2-CG 3.71Å; W282-R322 HydrophobicContact CZ3-CG 4.17Å
283	S	85.3	Confident	81.5	Confident	42 Å²	42	53.9 Å²	53.9	29%	0.294	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-82.9	156.4	169.9	101.3	0	0	0	0	110.8	K281 E285 E286 D287	K281-S283 PolarHBondContact O-N 2.98Å; S283-E285 PolarHBondContact O-N 3.4Å; S283-E285 PolarHBondContact OG-N 3.31Å; S283-E285 VanDerWaalsContact OG-N 3.14Å; S283-E286 PolarHBondContact N-OE2 3.15Å; S283-E286 PolarHBondContact O-N 2.77Å; S283-E286 VanDerWaalsContact O-N 3.15Å; S283-E286 PolarHBondContact OG-N 3.09Å; S283-E286 VanDerWaalsContact OG-N 3.08Å; S283-D287 PolarHBondContact O-N 2.82Å
284	A	84.3	Confident	81.9	Confident	72 Å²	72	54 Å²	54	60%	0.595	27%	0.265	S	S	*	.	H	α-helix	trans	-63.3	-22.7	175.6	0	0	0	0	0	112.8	K288	A284-K288 WeakPolarHBondContact O-CB 3.28Å; A284-K288 WeakPolarHBondContact O-CG 3.41Å; A284-K288 PolarHBondContact O-N 2.85Å
285	E	86.7	Confident	82.2	Confident	135 Å²	135	59.1 Å²	59.1	63%	0.631	29%	0.289	S	S	*	.	H	α-helix	trans	-81.8	-33.4	174.9	-61.4	152.5	-161	0	0	112.1	S283 R289	S283-E285 PolarHBondContact O-N 3.4Å; S283-E285 PolarHBondContact OG-N 3.31Å; S283-E285 VanDerWaalsContact OG-N 3.14Å; E285-R289 VanDerWaalsContact O-CB 3.31Å; E285-R289 WeakPolarHBondContact O-CB 3.39Å; E285-R289 VanDerWaalsContact O-CG 3.31Å; E285-R289 WeakPolarHBondContact O-CG 3.44Å; E285-R289 PolarHBondContact O-N 2.93Å; E285-R289 PolarHBondContact O-NE 3.25Å
286	E	87.1	Confident	82.7	Confident	13 Å²	13	64.9 Å²	64.9	6%	0.061	32%	0.315	C	S	.	.	H	α-helix	trans	-68.1	-41.7	170.5	-66.4	-178.2	111	0	0	110.8	W282 S283 R289 L290 T312 R314	W282-E286 WeakPolarHBondContact CA-OE2 3.4Å; W282-E286 HydrophobicContact CE3-CB 3.76Å; W282-E286 HydrophobicContact CZ3-CB 4.15Å; S283-E286 PolarHBondContact N-OE2 3.15Å; S283-E286 PolarHBondContact O-N 2.77Å; S283-E286 VanDerWaalsContact O-N 3.15Å; S283-E286 PolarHBondContact OG-N 3.09Å; S283-E286 VanDerWaalsContact OG-N 3.08Å; E286-R289 PolarHBondContact O-N 3.31Å; E286-L290 VanDerWaalsContact O-CB 3.26Å; E286-L290 WeakPolarHBondContact O-CB 3.17Å; E286-L290 PolarHBondContact O-N 3.28Å; E286-T312 HydrophobicContact CG-CG2 3.9Å; E286-T312 WeakPolarHBondContact OE1-CB 3.22Å; E286-T312 VanDerWaalsContact OE1-CG2 3.23Å; E286-T312 WeakPolarHBondContact OE1-CG2 3.11Å; E286-R314 VanDerWaalsContact CD-NH2 3.31Å; E286-R314 IonicContact OE1-CZ 3.59Å; E286-R314 IonicContact OE1-NE 2.99Å; E286-R314 PolarHBondContact OE1-NE 2.66Å; E286-R314 IonicContact OE1-NH2 3.15Å; E286-R314 PolarHBondContact OE1-NH2 2.68Å; E286-R314 VanDerWaalsContact OE1-NH2 3.12Å; E286-R314 IonicContact OE2-CZ 3.7Å; E286-R314 IonicContact OE2-NE 3.26Å; E286-R314 IonicContact OE2-NH2 2.67Å; E286-R314 PolarHBondContact OE2-NH2 2.96Å
287	D	87.4	Confident	82.9	Confident	25 Å²	25	64.9 Å²	64.9	13%	0.134	31%	0.312	C	S	.	.	H	α-helix	trans	-62.7	-49.9	174.8	-73.4	-35.1	0	0	0	111.1	S283 R289 L290 T291 R322 L327	S283-D287 PolarHBondContact O-N 2.82Å; D287-R289 VanDerWaalsContact C-N 3.35Å; D287-R289 PolarHBondContact O-N 3.3Å; D287-L290 PolarHBondContact O-N 3.26Å; D287-T291 PolarHBondContact O-N 3.38Å; D287-T291 PolarHBondContact O-OG1 2.9Å; D287-R322 VanDerWaalsContact CG-NH2 3.25Å; D287-R322 IonicContact OD1-CZ 3.38Å; D287-R322 VanDerWaalsContact OD1-CZ 3.29Å; D287-R322 IonicContact OD1-NE 3.59Å; D287-R322 PolarHBondContact OD1-NE 2.88Å; D287-R322 IonicContact OD1-NH2 3.26Å; D287-R322 PolarHBondContact OD1-NH2 3.48Å; D287-R322 IonicContact OD2-CZ 2.72Å; D287-R322 IonicContact OD2-NE 2.67Å; D287-R322 IonicContact OD2-NH2 3.55Å; D287-R322 PolarHBondContact OD2-NH2 3.31Å; D287-L327 HydrophobicContact CB-CD1 4.16Å; D287-L327 HydrophobicContact CB-CD2 3.98Å
288	K	88.4	Confident	82.7	Confident	155 Å²	155	65.9 Å²	65.9	67%	0.674	33%	0.325	S	S	*	.	H	α-helix	trans	-58.1	-42.7	176	-80.4	175.3	177.3	-174.8	0	112.7	A284 T291 K292	A284-K288 WeakPolarHBondContact O-CB 3.28Å; A284-K288 WeakPolarHBondContact O-CG 3.41Å; A284-K288 PolarHBondContact O-N 2.85Å; K288-T291 PolarHBondContact O-N 3.36Å; K288-K292 PolarHBondContact O-N 3.48Å; K288-K292 VanDerWaalsContact O-N 3.11Å
289	R	89.2	Confident	82.3	Confident	111 Å²	111	66 Å²	66	42%	0.419	32%	0.324	S	S	.	.	H	α-helix	trans	-68.2	-39.3	176.1	-78	-177.3	-73.1	162.9	-10.5	112	E285 E286 D287 T291 K292 L293 L310	E285-R289 VanDerWaalsContact O-CB 3.31Å; E285-R289 WeakPolarHBondContact O-CB 3.39Å; E285-R289 VanDerWaalsContact O-CG 3.31Å; E285-R289 WeakPolarHBondContact O-CG 3.44Å; E285-R289 PolarHBondContact O-N 2.93Å; E285-R289 PolarHBondContact O-NE 3.25Å; E286-R289 PolarHBondContact O-N 3.31Å; D287-R289 VanDerWaalsContact C-N 3.35Å; D287-R289 PolarHBondContact O-N 3.3Å; R289-T291 VanDerWaalsContact C-N 3.34Å; R289-K292 PolarHBondContact O-N 2.92Å; R289-L293 WeakPolarHBondContact O-CB 3.31Å; R289-L293 VanDerWaalsContact O-CG 3.23Å; R289-L293 WeakPolarHBondContact O-CG 3.1Å; R289-L293 PolarHBondContact O-N 3.4Å; R289-L310 HydrophobicContact CB-CD1 3.63Å
290	L	87.6	Confident	81.8	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-63.4	-39.9	175	178.3	58.9	0	0	0	111.5	W282 E286 D287 L293 V294 I306 C319 R322 L327	W282-L290 HydrophobicContact CH2-CD2 3.64Å; W282-L290 HydrophobicContact CZ2-CD2 4.48Å; W282-L290 HydrophobicContact CZ3-CB 4.37Å; W282-L290 HydrophobicContact CZ3-CD2 3.72Å; E286-L290 VanDerWaalsContact O-CB 3.26Å; E286-L290 WeakPolarHBondContact O-CB 3.17Å; E286-L290 PolarHBondContact O-N 3.28Å; D287-L290 PolarHBondContact O-N 3.26Å; L290-L293 PolarHBondContact O-N 3.35Å; L290-V294 HydrophobicContact CD1-CG2 4.06Å; L290-V294 WeakPolarHBondContact O-CB 3.32Å; L290-V294 VanDerWaalsContact O-CG2 3.25Å; L290-V294 WeakPolarHBondContact O-CG2 3.5Å; L290-V294 PolarHBondContact O-N 3.45Å; L290-I306 HydrophobicContact CD1-CG2 3.52Å; L290-C319 HydrophobicContact CD1-CB 4.05Å; L290-R322 HydrophobicContact CD2-CB 3.81Å; L290-R322 HydrophobicContact CD2-CG 3.78Å; L290-L327 HydrophobicContact CB-CD1 4.23Å; L290-L327 HydrophobicContact CD2-CD1 3.8Å; L290-L327 HydrophobicContact CG-CD1 4.1Å
291	T	86.1	Confident	81.4	Confident	35 Å²	35	68.8 Å²	68.8	22%	0.215	35%	0.345	C	S	.	.	H	α-helix	trans	-60	-53.4	173.5	-62.3	0	0	0	0	111.4	D287 K288 R289 L293 V294 E295 W323	D287-T291 PolarHBondContact O-N 3.38Å; D287-T291 PolarHBondContact O-OG1 2.9Å; K288-T291 PolarHBondContact O-N 3.36Å; R289-T291 VanDerWaalsContact C-N 3.34Å; T291-L293 PolarHBondContact O-N 2.87Å; T291-V294 PolarHBondContact O-N 3.19Å; T291-E295 WeakPolarHBondContact CG2-OE1 3.49Å; T291-E295 WeakPolarHBondContact O-CG 3.5Å; T291-E295 PolarHBondContact O-N 2.97Å; T291-W323 HydrophobicContact CG2-CH2 4.33Å; T291-W323 HydrophobicContact CG2-CZ3 4.12Å
292	K	87.6	Confident	81.3	Confident	128 Å²	128	67.9 Å²	67.9	56%	0.557	34%	0.337	S	S	*	.	H	α-helix	trans	-56	-45.9	176.7	-75.1	-166	168.8	-155.9	0	113.1	K288 R289 V294 E295 E296	K288-K292 PolarHBondContact O-N 3.48Å; K288-K292 VanDerWaalsContact O-N 3.11Å; R289-K292 PolarHBondContact O-N 2.92Å; K292-V294 PolarHBondContact O-N 2.88Å; K292-E295 WeakPolarHBondContact O-CB 3.24Å; K292-E295 PolarHBondContact O-N 2.79Å; K292-E295 VanDerWaalsContact O-N 3.11Å; K292-E296 WeakPolarHBondContact O-CB 3.23Å; K292-E296 VanDerWaalsContact O-CG 3.26Å; K292-E296 WeakPolarHBondContact O-CG 3.33Å; K292-E296 PolarHBondContact O-N 3.03Å
293	L	87.4	Confident	81.3	Confident	12 Å²	12	67.6 Å²	67.6	6%	0.063	34%	0.336	C	S	.	.	H	α-helix	trans	-66.1	-26.1	178.7	-69.1	170.4	0	0	0	113	R289 L290 T291 F297 I306 V309 L310	R289-L293 WeakPolarHBondContact O-CB 3.31Å; R289-L293 VanDerWaalsContact O-CG 3.23Å; R289-L293 WeakPolarHBondContact O-CG 3.1Å; R289-L293 PolarHBondContact O-N 3.4Å; L290-L293 PolarHBondContact O-N 3.35Å; T291-L293 PolarHBondContact O-N 2.87Å; L293-F297 HydrophobicContact CD2-CD2 4.15Å; L293-F297 HydrophobicContact CD2-CE2 3.81Å; L293-F297 VanDerWaalsContact O-CB 3.31Å; L293-F297 WeakPolarHBondContact O-CB 3.15Å; L293-F297 WeakPolarHBondContact O-CD2 3.38Å; L293-F297 PolarHBondContact O-N 3.35Å; L293-I306 HydrophobicContact CB-CG1 4.4Å; L293-I306 HydrophobicContact CB-CG2 4.01Å; L293-I306 HydrophobicContact CD1-CG2 4.49Å; L293-V309 HydrophobicContact CD1-CB 4.32Å; L293-V309 HydrophobicContact CD1-CG1 4.27Å; L293-V309 HydrophobicContact CD2-CB 3.97Å; L293-V309 HydrophobicContact CD2-CG1 3.46Å; L293-V309 VanDerWaalsContact CD2-CG1 3.46Å; L293-L310 HydrophobicContact CD1-CB 3.85Å; L293-L310 HydrophobicContact CD1-CD1 4.1Å
294	V	85.2	Confident	81	Confident	3 Å²	3	72.1 Å²	72.1	2%	0.018	35%	0.352	C	S	.	.	H	α-helix	trans	-79.8	-31.3	172.8	173.3	0	0	0	0	111.7	L290 T291 K292 G298 E299 W303 I306 W323	L290-V294 HydrophobicContact CD1-CG2 4.06Å; L290-V294 WeakPolarHBondContact O-CB 3.32Å; L290-V294 VanDerWaalsContact O-CG2 3.25Å; L290-V294 WeakPolarHBondContact O-CG2 3.5Å; L290-V294 PolarHBondContact O-N 3.45Å; T291-V294 PolarHBondContact O-N 3.19Å; K292-V294 PolarHBondContact O-N 2.88Å; V294-G298 CarbonylContact O-C 3.52Å; V294-G298 VanDerWaalsContact O-C 3.28Å; V294-G298 WeakPolarHBondContact O-CA 3.38Å; V294-G298 PolarHBondContact O-N 3.27Å; V294-E299 HydrophobicContact CG1-CB 4.22Å; V294-E299 HydrophobicContact CG1-CG 3.69Å; V294-W303 HydrophobicContact CG2-CH2 3.83Å; V294-W303 HydrophobicContact CG2-CZ3 3.64Å; V294-I306 HydrophobicContact CG2-CD1 3.99Å; V294-W323 HydrophobicContact CB-CD2 4.3Å; V294-W323 HydrophobicContact CB-CE3 4.2Å; V294-W323 HydrophobicContact CB-CH2 4.29Å; V294-W323 HydrophobicContact CB-CZ2 4.35Å; V294-W323 HydrophobicContact CB-CZ3 4.22Å; V294-W323 HydrophobicContact CG1-CD2 3.91Å; V294-W323 HydrophobicContact CG1-CE3 4.25Å; V294-W323 HydrophobicContact CG1-CH2 3.99Å; V294-W323 HydrophobicContact CG1-CZ2 3.58Å; V294-W323 HydrophobicContact CG1-CZ3 4.31Å; V294-W323 HydrophobicContact CG2-CD2 4.1Å; V294-W323 HydrophobicContact CG2-CE3 4.07Å; V294-W323 HydrophobicContact CG2-CG 4.43Å
295	E	83.1	Confident	80.9	Confident	140 Å²	140	72.2 Å²	72.2	65%	0.654	34%	0.341	S	S	*	.	H	α-helix	trans	-67.1	-41.6	170.1	-67.5	162.7	170.3	0	0	111.1	T291 K292	T291-E295 WeakPolarHBondContact CG2-OE1 3.49Å; T291-E295 WeakPolarHBondContact O-CG 3.5Å; T291-E295 PolarHBondContact O-N 2.97Å; K292-E295 WeakPolarHBondContact O-CB 3.24Å; K292-E295 PolarHBondContact O-N 2.79Å; K292-E295 VanDerWaalsContact O-N 3.11Å
296	E	83.8	Confident	80.9	Confident	127 Å²	127	65.8 Å²	65.8	59%	0.593	31%	0.311	S	S	*	.	H	α-helix	trans	-74.4	-48.8	-179.6	-70.5	162.1	-157.2	0	0	113.5	K292	K292-E296 WeakPolarHBondContact O-CB 3.23Å; K292-E296 VanDerWaalsContact O-CG 3.26Å; K292-E296 WeakPolarHBondContact O-CG 3.33Å; K292-E296 PolarHBondContact O-N 3.03Å
297	F	79.6	Confident	80.8	Confident	60 Å²	60	66.3 Å²	66.3	26%	0.263	32%	0.316	S	S	.	.	H	α-helix	trans	-93.6	-6.9	-176.5	-69.6	-101.2	0	0	0	113.7	L293 R302 E305 I306 V309	L293-F297 HydrophobicContact CD2-CD2 4.15Å; L293-F297 HydrophobicContact CD2-CE2 3.81Å; L293-F297 VanDerWaalsContact O-CB 3.31Å; L293-F297 WeakPolarHBondContact O-CB 3.15Å; L293-F297 WeakPolarHBondContact O-CD2 3.38Å; L293-F297 PolarHBondContact O-N 3.35Å; F297-R302 HydrophobicContact CB-CB 4.36Å; F297-E305 HydrophobicContact CD1-CB 3.93Å; F297-E305 WeakPolarHBondContact CD1-OE2 3.37Å; F297-E305 HydrophobicContact CE1-CB 4Å; F297-I306 HydrophobicContact CB-CD1 4.16Å; F297-I306 HydrophobicContact CB-CG1 3.91Å; F297-I306 HydrophobicContact CD2-CG1 4.49Å; F297-I306 HydrophobicContact CG-CG1 4.24Å; F297-V309 HydrophobicContact CE2-CG2 4.38Å; F297-V309 HydrophobicContact CZ-CG2 3.96Å
298	G	69.9	Low	80.6	Confident	29 Å²	29	71.8 Å²	71.8	30%	0.299	34%	0.338	S	S	.	.			trans	80.8	147.2	-178.6	0	0	0	0	0	114.5	V294 H300	V294-G298 CarbonylContact O-C 3.52Å; V294-G298 VanDerWaalsContact O-C 3.28Å; V294-G298 WeakPolarHBondContact O-CA 3.38Å; V294-G298 PolarHBondContact O-N 3.27Å; G298-H300 PolarHBondContact O-N 3.23Å
299	E	65.6	Low	80.6	Confident	39 Å²	39	68 Å²	68	18%	0.182	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-14	-179.9	-58.8	-171.1	113.1	0	0	114.5	V294 G301 W323 N328	V294-E299 HydrophobicContact CG1-CB 4.22Å; V294-E299 HydrophobicContact CG1-CG 3.69Å; E299-G301 PolarHBondContact O-N 2.91Å; E299-W323 HydrophobicContact CG-CZ2 4.25Å; E299-W323 WeakPolarHBondContact OE1-CZ2 3.33Å; E299-W323 PolarHBondContact OE1-NE1 3.29Å; E299-N328 PolarHBondContact OE1-ND2 3.38Å
300	H	61.4	Low	80.4	Confident	95 Å²	95	62.8 Å²	62.8	44%	0.44	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	35.5	-157.2	-54.6	-21	0	0	0	115	R87 G298	R87-H300 VanDerWaalsContact CD-CE1 3.44Å; R87-H300 WeakPolarHBondContact CD-CE1 3.39Å; R87-H300 WeakPolarHBondContact CG-CE1 3.34Å; G298-H300 PolarHBondContact O-N 3.23Å
301	G	63.7	Low	80.2	Confident	33 Å²	33	69.2 Å²	69.2	34%	0.34	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	121.3	1.1	155.8	0	0	0	0	0	117.9	E299 W303	E299-G301 PolarHBondContact O-N 2.91Å; G301-W303 PolarHBondContact O-N 3.08Å
302	R	76.9	Confident	79.9	Confident	136 Å²	136	68.3 Å²	68.3	51%	0.513	34%	0.337	S	S	.	.			trans	-75.4	36.7	177.4	-58.2	-167	-173.3	-162.6	10	113.7	F297 E304 E305 I306	F297-R302 HydrophobicContact CB-CB 4.36Å; R302-E304 PolarHBondContact O-N 3.01Å; R302-E304 VanDerWaalsContact O-N 3.12Å; R302-E305 HydrophobicContact CB-CB 4.38Å; R302-E305 WeakPolarHBondContact CD-OE2 3.39Å; R302-E305 IonicContact NH1-OE2 2.71Å; R302-E305 PolarHBondContact NH1-OE2 3.21Å; R302-E305 PolarHBondContact O-N 2.82Å; R302-I306 WeakPolarHBondContact O-CG1 3.44Å; R302-I306 PolarHBondContact O-N 3.25Å
303	W	81.2	Confident	79.5	Confident	30 Å²	30	67.2 Å²	67.2	11%	0.114	34%	0.338	C	S	.	.	H	α-helix	trans	-62.7	-23	-172.2	-62.7	111.8	0	0	0	113.9	V294 G301 I306 S307 A316 C319 C320 W323	V294-W303 HydrophobicContact CG2-CH2 3.83Å; V294-W303 HydrophobicContact CG2-CZ3 3.64Å; G301-W303 PolarHBondContact O-N 3.08Å; W303-I306 HydrophobicContact CE3-CD1 3.96Å; W303-I306 HydrophobicContact CZ3-CD1 4.1Å; W303-S307 WeakPolarHBondContact O-CB 3.41Å; W303-S307 PolarHBondContact O-N 3.3Å; W303-A316 HydrophobicContact CB-CB 3.84Å; W303-A316 WeakPolarHBondContact O-CA 3.49Å; W303-A316 VanDerWaalsContact O-CB 3.3Å; W303-A316 WeakPolarHBondContact O-CB 3.43Å; W303-C319 HydrophobicContact CE3-CB 4.4Å; W303-C320 HydrophobicContact CD2-CB 3.54Å; W303-C320 HydrophobicContact CE3-CB 3.94Å; W303-C320 HydrophobicContact CG-CB 3.79Å; W303-C320 HydrophobicContact CZ2-CB 4.32Å; W303-C320 HydrophobicContact CZ3-CB 4.48Å; W303-W323 HydrophobicContact CH2-CB 3.6Å; W303-W323 AromaticContact CH2-CD1 3.62Å; W303-W323 AromaticContact CH2-CG 3.67Å; W303-W323 HydrophobicContact CH2-CG 3.67Å; W303-W323 HydrophobicContact CZ3-CB 4Å; W303-W323 HydrophobicContact CZ3-CG 4.41Å
304	E	79.9	Confident	79.3	Confident	136 Å²	136	66.9 Å²	66.9	64%	0.636	34%	0.336	S	S	*	.	H	α-helix	trans	-76.3	-37.8	174	-65.7	-175.1	-167.9	0	0	112.6	R302 K308 A316	R302-E304 PolarHBondContact O-N 3.01Å; R302-E304 VanDerWaalsContact O-N 3.12Å; E304-K308 WeakPolarHBondContact O-CD 3.48Å; E304-K308 VanDerWaalsContact O-CG 3.25Å; E304-K308 WeakPolarHBondContact O-CG 3.35Å; E304-K308 PolarHBondContact O-N 2.95Å; E304-A316 HydrophobicContact CG-CB 3.9Å
305	E	82.3	Confident	79.1	Confident	75 Å²	75	67.7 Å²	67.7	35%	0.35	34%	0.341	S	S	.	.	H	α-helix	trans	-65.6	-49.9	172	-70.4	158.6	-118.2	0	0	109.8	F297 R302 S307 K308 V309	F297-E305 HydrophobicContact CD1-CB 3.93Å; F297-E305 WeakPolarHBondContact CD1-OE2 3.37Å; F297-E305 HydrophobicContact CE1-CB 4Å; R302-E305 HydrophobicContact CB-CB 4.38Å; R302-E305 WeakPolarHBondContact CD-OE2 3.39Å; R302-E305 IonicContact NH1-OE2 2.71Å; R302-E305 PolarHBondContact NH1-OE2 3.21Å; R302-E305 PolarHBondContact O-N 2.82Å; E305-S307 VanDerWaalsContact C-N 3.28Å; E305-S307 PolarHBondContact O-N 3.4Å; E305-K308 WeakPolarHBondContact O-CB 3.47Å; E305-K308 PolarHBondContact O-N 3.16Å; E305-V309 WeakPolarHBondContact O-CG2 3.47Å; E305-V309 PolarHBondContact O-N 2.66Å
306	I	85.6	Confident	79	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-57.2	-41.3	176.5	-64.5	165.6	0	0	0	111.2	L290 L293 V294 F297 R302 W303 L310	L290-I306 HydrophobicContact CD1-CG2 3.52Å; L293-I306 HydrophobicContact CB-CG1 4.4Å; L293-I306 HydrophobicContact CB-CG2 4.01Å; L293-I306 HydrophobicContact CD1-CG2 4.49Å; V294-I306 HydrophobicContact CG2-CD1 3.99Å; F297-I306 HydrophobicContact CB-CD1 4.16Å; F297-I306 HydrophobicContact CB-CG1 3.91Å; F297-I306 HydrophobicContact CD2-CG1 4.49Å; F297-I306 HydrophobicContact CG-CG1 4.24Å; R302-I306 WeakPolarHBondContact O-CG1 3.44Å; R302-I306 PolarHBondContact O-N 3.25Å; W303-I306 HydrophobicContact CE3-CD1 3.96Å; W303-I306 HydrophobicContact CZ3-CD1 4.1Å; I306-L310 WeakPolarHBondContact O-CB 3.16Å; I306-L310 PolarHBondContact O-N 3.42Å
307	S	84.8	Confident	78.8	Confident	24 Å²	24	59 Å²	59	17%	0.168	30%	0.301	C	S	.	.	H	α-helix	trans	-64.5	-38.8	176.2	175.2	0	0	0	0	112.8	W303 E305 R314 A316	W303-S307 WeakPolarHBondContact O-CB 3.41Å; W303-S307 PolarHBondContact O-N 3.3Å; E305-S307 VanDerWaalsContact C-N 3.28Å; E305-S307 PolarHBondContact O-N 3.4Å; S307-R314 PolarHBondContact OG-O 2.72Å; S307-A316 PolarHBondContact OG-N 3.04Å
308	K	84.1	Confident	78.8	Confident	139 Å²	139	57.5 Å²	57.5	60%	0.604	30%	0.296	S	S	*	.	H	α-helix	trans	-68.5	-54.5	174.8	-71.8	164.5	-175.5	173.2	0	111.2	E304 E305 L310 N311	E304-K308 WeakPolarHBondContact O-CD 3.48Å; E304-K308 VanDerWaalsContact O-CG 3.25Å; E304-K308 WeakPolarHBondContact O-CG 3.35Å; E304-K308 PolarHBondContact O-N 2.95Å; E305-K308 WeakPolarHBondContact O-CB 3.47Å; E305-K308 PolarHBondContact O-N 3.16Å; K308-L310 VanDerWaalsContact C-N 3.31Å; K308-L310 PolarHBondContact O-N 3.13Å; K308-N311 PolarHBondContact O-N 2.93Å; K308-N311 PolarHBondContact O-ND2 3.38Å; K308-N311 VanDerWaalsContact O-ND2 3.15Å; K308-N311 PolarHBondContact O-OD1 2.97Å
309	V	87.3	Confident	79.4	Confident	75 Å²	75	56.1 Å²	56.1	46%	0.455	28%	0.282	S	S	.	.	H	α-helix	trans	-63.8	-36	-175.4	-177.9	0	0	0	0	111.9	L293 F297 E305 N311	L293-V309 HydrophobicContact CD1-CB 4.32Å; L293-V309 HydrophobicContact CD1-CG1 4.27Å; L293-V309 HydrophobicContact CD2-CB 3.97Å; L293-V309 HydrophobicContact CD2-CG1 3.46Å; L293-V309 VanDerWaalsContact CD2-CG1 3.46Å; F297-V309 HydrophobicContact CE2-CG2 4.38Å; F297-V309 HydrophobicContact CZ-CG2 3.96Å; E305-V309 WeakPolarHBondContact O-CG2 3.47Å; E305-V309 PolarHBondContact O-N 2.66Å; V309-N311 PolarHBondContact O-N 3.49Å; V309-N311 PolarHBondContact O-ND2 2.68Å
310	L	85.9	Confident	80.1	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-61	-26.4	175.2	-172	65.5	0	0	0	112.7	W282 R289 L293 I306 K308 T312	W282-L310 HydrophobicContact CH2-CD2 4.29Å; W282-L310 HydrophobicContact CZ3-CD2 4.1Å; R289-L310 HydrophobicContact CB-CD1 3.63Å; L293-L310 HydrophobicContact CD1-CB 3.85Å; L293-L310 HydrophobicContact CD1-CD1 4.1Å; I306-L310 WeakPolarHBondContact O-CB 3.16Å; I306-L310 PolarHBondContact O-N 3.42Å; K308-L310 VanDerWaalsContact C-N 3.31Å; K308-L310 PolarHBondContact O-N 3.13Å; L310-T312 HydrophobicContact CD1-CG2 4.44Å; L310-T312 HydrophobicContact CD2-CG2 4.46Å; L310-T312 WeakPolarHBondContact CD2-OG1 3.4Å; L310-T312 HydrophobicContact CG-CG2 3.91Å; L310-T312 WeakPolarHBondContact CG-OG1 3.42Å; L310-T312 WeakPolarHBondContact O-CG2 3.47Å; L310-T312 PolarHBondContact O-N 2.98Å
311	N	82.5	Confident	80.8	Confident	135 Å²	135	53 Å²	53	72%	0.722	27%	0.269	S	S	*	.			trans	52.8	24.6	174.7	-82.3	-62.1	0	0	0	115.8	K308 V309	K308-N311 PolarHBondContact O-N 2.93Å; K308-N311 PolarHBondContact O-ND2 3.38Å; K308-N311 VanDerWaalsContact O-ND2 3.15Å; K308-N311 PolarHBondContact O-OD1 2.97Å; V309-N311 PolarHBondContact O-N 3.49Å; V309-N311 PolarHBondContact O-ND2 2.68Å
312	T	80.6	Confident	81.6	Confident	17 Å²	17	53.9 Å²	53.9	10%	0.104	26%	0.262	C	S	.	.	S	Bend	trans	-96.3	9.8	-178.3	52	0	0	0	0	114	N278 E286 L310 R314	N278-T312 WeakPolarHBondContact CB-O 3.43Å; N278-T312 PolarHBondContact ND2-O 2.95Å; E286-T312 HydrophobicContact CG-CG2 3.9Å; E286-T312 WeakPolarHBondContact OE1-CB 3.22Å; E286-T312 VanDerWaalsContact OE1-CG2 3.23Å; E286-T312 WeakPolarHBondContact OE1-CG2 3.11Å; L310-T312 HydrophobicContact CD1-CG2 4.44Å; L310-T312 HydrophobicContact CD2-CG2 4.46Å; L310-T312 WeakPolarHBondContact CD2-OG1 3.4Å; L310-T312 HydrophobicContact CG-CG2 3.91Å; L310-T312 WeakPolarHBondContact CG-OG1 3.42Å; L310-T312 WeakPolarHBondContact O-CG2 3.47Å; L310-T312 PolarHBondContact O-N 2.98Å; T312-R314 PolarHBondContact O-N 2.69Å; T312-R314 VanDerWaalsContact O-N 3.12Å; T312-R314 WeakPolarHBondContact OG1-CG 3.49Å
313	N	79.7	Confident	81.8	Confident	105 Å²	105	47.9 Å²	47.9	56%	0.561	24%	0.24	S	C	*	.	S	Bend	trans	53.8	24.3	-170.9	-64.4	-25.9	0	0	0	114.4	N276 N278	N276-N313 WeakPolarHBondContact O-CB 3.45Å; N278-N313 HydrophobicContact CB-CB 4.13Å; N278-N313 PolarHBondContact N-O 3.14Å
314	R	82.1	Confident	81.4	Confident	5 Å²	5	47.8 Å²	47.8	2%	0.019	24%	0.241	C	C	.	.			trans	-92.7	127.8	171	-62.5	-174	-172.5	-81.8	9.9	109.5	N278 S280 K281 W282 E286 S307 T312 I318	N278-R314 HydrophobicContact CB-CG 4Å; N278-R314 PolarHBondContact O-NH1 3.06Å; S280-R314 PolarHBondContact O-NH1 3.22Å; S280-R314 PolarHBondContact O-NH2 3.2Å; S280-R314 PolarHBondContact OG-NH2 3.39Å; K281-R314 PolarHBondContact O-NH2 2.69Å; W282-R314 VanDerWaalsContact CH2-CD 3.45Å; E286-R314 VanDerWaalsContact CD-NH2 3.31Å; E286-R314 IonicContact OE1-CZ 3.59Å; E286-R314 IonicContact OE1-NE 2.99Å; E286-R314 PolarHBondContact OE1-NE 2.66Å; E286-R314 IonicContact OE1-NH2 3.15Å; E286-R314 PolarHBondContact OE1-NH2 2.68Å; E286-R314 VanDerWaalsContact OE1-NH2 3.12Å; E286-R314 IonicContact OE2-CZ 3.7Å; E286-R314 IonicContact OE2-NE 3.26Å; E286-R314 IonicContact OE2-NH2 2.67Å; E286-R314 PolarHBondContact OE2-NH2 2.96Å; S307-R314 PolarHBondContact OG-O 2.72Å; T312-R314 PolarHBondContact O-N 2.69Å; T312-R314 VanDerWaalsContact O-N 3.12Å; T312-R314 WeakPolarHBondContact OG1-CG 3.49Å; R314-I318 HydrophobicContact CB-CG2 4.34Å
315	T	80.5	Confident	80.8	Confident	20 Å²	20	42.7 Å²	42.7	12%	0.123	22%	0.219	C	C	.	.			trans	-70.2	154.4	-177.5	69.4	0	0	0	0	112.7	I270 H271 I277 F317 I318 C319	I270-T315 WeakPolarHBondContact O-CG2 3.46Å; H271-T315 PolarHBondContact ND1-OG1 3.48Å; I277-T315 HydrophobicContact CG1-CG2 4.3Å; I277-T315 HydrophobicContact CG2-CG2 4.3Å; T315-F317 PolarHBondContact O-N 2.9Å; T315-F317 VanDerWaalsContact O-N 3.12Å; T315-I318 WeakPolarHBondContact O-CA 3.39Å; T315-I318 WeakPolarHBondContact O-CB 3.38Å; T315-I318 PolarHBondContact O-N 3.27Å; T315-C319 PolarHBondContact O-N 2.82Å
316	A	82.2	Confident	80.4	Confident	16 Å²	16	42.8 Å²	42.8	13%	0.132	22%	0.224	C	C	.	.	H	α-helix	trans	-44.6	-44	175.5	0	0	0	0	0	114.2	W303 E304 S307 I318 C319 C320	W303-A316 HydrophobicContact CB-CB 3.84Å; W303-A316 WeakPolarHBondContact O-CA 3.49Å; W303-A316 VanDerWaalsContact O-CB 3.3Å; W303-A316 WeakPolarHBondContact O-CB 3.43Å; E304-A316 HydrophobicContact CG-CB 3.9Å; S307-A316 PolarHBondContact OG-N 3.04Å; A316-I318 VanDerWaalsContact C-N 3.33Å; A316-I318 PolarHBondContact O-N 3.3Å; A316-C319 PolarHBondContact O-N 3.45Å; A316-C320 VanDerWaalsContact O-CB 3.3Å; A316-C320 WeakPolarHBondContact O-CB 3.33Å; A316-C320 PolarHBondContact O-N 2.67Å
317	F	78.3	Confident	80	Confident	67 Å²	67	44.6 Å²	44.6	29%	0.294	23%	0.234	S	C	.	.	H	α-helix	trans	-62.3	-37.3	176	179.8	-96.1	0	0	0	112.8	L92 T315 Q321	L92-F317 HydrophobicContact CD2-CE2 4.48Å; T315-F317 PolarHBondContact O-N 2.9Å; T315-F317 VanDerWaalsContact O-N 3.12Å; F317-Q321 WeakPolarHBondContact O-CB 3.38Å; F317-Q321 PolarHBondContact O-N 3.33Å
318	I	80.3	Confident	79.2	Confident	30 Å²	30	43.6 Å²	43.6	15%	0.154	23%	0.226	C	C	.	.	H	α-helix	trans	-73	-37.4	179.3	-66.7	170.4	0	0	0	110.8	I277 W282 R314 T315 A316 Q321 R322	I277-I318 HydrophobicContact CG2-CD1 3.78Å; W282-I318 HydrophobicContact CZ2-CG2 3.91Å; R314-I318 HydrophobicContact CB-CG2 4.34Å; T315-I318 WeakPolarHBondContact O-CA 3.39Å; T315-I318 WeakPolarHBondContact O-CB 3.38Å; T315-I318 PolarHBondContact O-N 3.27Å; A316-I318 VanDerWaalsContact C-N 3.33Å; A316-I318 PolarHBondContact O-N 3.3Å; I318-Q321 PolarHBondContact O-N 2.71Å; I318-R322 PolarHBondContact O-N 3.38Å
319	C	82.4	Confident	78.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-66.7	-49.8	173.8	-59.7	0	0	0	0	111.8	L290 W303 T315 A316 Q321 R322 W323	L290-C319 HydrophobicContact CD1-CB 4.05Å; W303-C319 HydrophobicContact CE3-CB 4.4Å; T315-C319 PolarHBondContact O-N 2.82Å; A316-C319 PolarHBondContact O-N 3.45Å; C319-Q321 VanDerWaalsContact C-N 3.28Å; C319-Q321 PolarHBondContact O-N 3.47Å; C319-R322 WeakPolarHBondContact O-CB 3.28Å; C319-R322 PolarHBondContact O-N 2.95Å; C319-W323 PolarHBondContact O-N 2.97Å
320	C	80.6	Confident	77.2	Confident	18 Å²	18	42.2 Å²	42.2	12%	0.122	23%	0.228	C	C	.	.	H	α-helix	trans	-54.5	-44.9	172.2	-179.9	0	0	0	0	111.5	W303 A316 R322 W323 Q324	W303-C320 HydrophobicContact CD2-CB 3.54Å; W303-C320 HydrophobicContact CE3-CB 3.94Å; W303-C320 HydrophobicContact CG-CB 3.79Å; W303-C320 HydrophobicContact CZ2-CB 4.32Å; W303-C320 HydrophobicContact CZ3-CB 4.48Å; A316-C320 VanDerWaalsContact O-CB 3.3Å; A316-C320 WeakPolarHBondContact O-CB 3.33Å; A316-C320 PolarHBondContact O-N 2.67Å; C320-R322 VanDerWaalsContact C-N 3.32Å; C320-R322 PolarHBondContact O-N 2.95Å; C320-W323 PolarHBondContact O-N 3.09Å; C320-Q324 WeakPolarHBondContact O-CB 3.38Å; C320-Q324 PolarHBondContact O-N 3.01Å
321	Q	76	Confident	76	Confident	50 Å²	50	44.1 Å²	44.1	23%	0.234	24%	0.236	C	C	.	.	H	α-helix	trans	-62.2	-36.9	176	-170	-174.2	-111.4	0	0	112.7	L92 F317 I318 C319 T325	L92-Q321 HydrophobicContact CD1-CB 4.23Å; L92-Q321 HydrophobicContact CD1-CG 4.07Å; F317-Q321 WeakPolarHBondContact O-CB 3.38Å; F317-Q321 PolarHBondContact O-N 3.33Å; I318-Q321 PolarHBondContact O-N 2.71Å; C319-Q321 VanDerWaalsContact C-N 3.28Å; C319-Q321 PolarHBondContact O-N 3.47Å; Q321-T325 HydrophobicContact CG-CG2 4.4Å; Q321-T325 WeakPolarHBondContact O-CB 3.42Å; Q321-T325 VanDerWaalsContact O-CG2 3.3Å; Q321-T325 WeakPolarHBondContact O-CG2 3.46Å; Q321-T325 PolarHBondContact O-N 3.47Å; Q321-T325 PolarHBondContact O-OG1 2.76Å
322	R	81.5	Confident	74.7	Confident	52 Å²	52	42.8 Å²	42.8	20%	0.196	23%	0.225	C	C	.	.	H	α-helix	trans	-69.3	-44.7	177.1	-177.8	60.3	167.6	171.9	-0.8	111.7	W282 D287 L290 I318 C319 C320 V326 L327	W282-R322 HydrophobicContact CD2-CB 4.31Å; W282-R322 HydrophobicContact CD2-CG 3.7Å; W282-R322 HydrophobicContact CE3-CG 4Å; W282-R322 HydrophobicContact CG-CG 4.24Å; W282-R322 HydrophobicContact CH2-CB 3.91Å; W282-R322 HydrophobicContact CH2-CG 4.05Å; W282-R322 HydrophobicContact CZ2-CB 3.37Å; W282-R322 HydrophobicContact CZ2-CG 3.71Å; W282-R322 HydrophobicContact CZ3-CG 4.17Å; D287-R322 VanDerWaalsContact CG-NH2 3.25Å; D287-R322 IonicContact OD1-CZ 3.38Å; D287-R322 VanDerWaalsContact OD1-CZ 3.29Å; D287-R322 IonicContact OD1-NE 3.59Å; D287-R322 PolarHBondContact OD1-NE 2.88Å; D287-R322 IonicContact OD1-NH2 3.26Å; D287-R322 PolarHBondContact OD1-NH2 3.48Å; D287-R322 IonicContact OD2-CZ 2.72Å; D287-R322 IonicContact OD2-NE 2.67Å; D287-R322 IonicContact OD2-NH2 3.55Å; D287-R322 PolarHBondContact OD2-NH2 3.31Å; L290-R322 HydrophobicContact CD2-CB 3.81Å; L290-R322 HydrophobicContact CD2-CG 3.78Å; I318-R322 PolarHBondContact O-N 3.38Å; C319-R322 WeakPolarHBondContact O-CB 3.28Å; C319-R322 PolarHBondContact O-N 2.95Å; C320-R322 VanDerWaalsContact C-N 3.32Å; C320-R322 PolarHBondContact O-N 2.95Å; R322-V326 PolarHBondContact O-N 3.38Å; R322-V326 VanDerWaalsContact O-N 3.1Å; R322-L327 HydrophobicContact CG-CD1 3.95Å; R322-L327 HydrophobicContact CG-CG 4.29Å; R322-L327 PolarHBondContact O-N 3.34Å
323	W	79.5	Confident	73.3	Confident	10 Å²	10	45 Å²	45	4%	0.038	24%	0.235	C	C	.	.	I	π-helix	trans	-56	-65.1	175.7	-173	-113.2	0	0	0	110.9	T291 V294 E299 W303 C319 C320 T325 V326 L327 N328	T291-W323 HydrophobicContact CG2-CH2 4.33Å; T291-W323 HydrophobicContact CG2-CZ3 4.12Å; V294-W323 HydrophobicContact CB-CD2 4.3Å; V294-W323 HydrophobicContact CB-CE3 4.2Å; V294-W323 HydrophobicContact CB-CH2 4.29Å; V294-W323 HydrophobicContact CB-CZ2 4.35Å; V294-W323 HydrophobicContact CB-CZ3 4.22Å; V294-W323 HydrophobicContact CG1-CD2 3.91Å; V294-W323 HydrophobicContact CG1-CE3 4.25Å; V294-W323 HydrophobicContact CG1-CH2 3.99Å; V294-W323 HydrophobicContact CG1-CZ2 3.58Å; V294-W323 HydrophobicContact CG1-CZ3 4.31Å; V294-W323 HydrophobicContact CG2-CD2 4.1Å; V294-W323 HydrophobicContact CG2-CE3 4.07Å; V294-W323 HydrophobicContact CG2-CG 4.43Å; E299-W323 HydrophobicContact CG-CZ2 4.25Å; E299-W323 WeakPolarHBondContact OE1-CZ2 3.33Å; E299-W323 PolarHBondContact OE1-NE1 3.29Å; W303-W323 HydrophobicContact CH2-CB 3.6Å; W303-W323 AromaticContact CH2-CD1 3.62Å; W303-W323 AromaticContact CH2-CG 3.67Å; W303-W323 HydrophobicContact CH2-CG 3.67Å; W303-W323 HydrophobicContact CZ3-CB 4Å; W303-W323 HydrophobicContact CZ3-CG 4.41Å; C319-W323 PolarHBondContact O-N 2.97Å; C320-W323 PolarHBondContact O-N 3.09Å; W323-T325 PolarHBondContact O-N 3.14Å; W323-V326 PolarHBondContact O-N 2.89Å; W323-L327 HydrophobicContact CD2-CB 4.37Å; W323-L327 HydrophobicContact CE3-CB 3.48Å; W323-L327 VanDerWaalsContact CE3-CB 3.48Å; W323-L327 HydrophobicContact CE3-CD1 4.34Å; W323-L327 HydrophobicContact CZ3-CB 3.72Å; W323-L327 PolarHBondContact O-N 3.16Å; W323-L327 VanDerWaalsContact O-N 3.1Å; W323-N328 HydrophobicContact CD2-CB 4.15Å; W323-N328 HydrophobicContact CG-CB 4.17Å; W323-N328 HydrophobicContact CZ2-CB 4.34Å; W323-N328 PolarHBondContact NE1-ND2 2.93Å; W323-N328 WeakPolarHBondContact O-CB 3.37Å; W323-N328 PolarHBondContact O-N 2.84Å
324	Q	72.6	Confident	72.2	Confident	28 Å²	28	50.4 Å²	50.4	13%	0.131	25%	0.249	C	C	.	.	I	π-helix	trans	-69.7	0.8	-173.9	-68.3	179.2	-14.3	0	0	115.3	L92 C320	L92-Q324 HydrophobicContact CD1-CB 3.51Å; L92-Q324 HydrophobicContact CD1-CG 4.46Å; L92-Q324 VanDerWaalsContact CD1-OE1 3.29Å; L92-Q324 HydrophobicContact CG-CB 4.44Å; C320-Q324 WeakPolarHBondContact O-CB 3.38Å; C320-Q324 PolarHBondContact O-N 3.01Å
325	T	67.7	Low	71.6	Confident	29 Å²	29	56.9 Å²	56.9	18%	0.178	27%	0.273	C	S	.	.	I	π-helix	trans	-120.3	-17.7	174.4	63.9	0	0	0	0	115.3	L92 Q321 W323 M333	L92-T325 HydrophobicContact CB-CG2 4.44Å; L92-T325 HydrophobicContact CD1-CG2 3.83Å; Q321-T325 HydrophobicContact CG-CG2 4.4Å; Q321-T325 WeakPolarHBondContact O-CB 3.42Å; Q321-T325 VanDerWaalsContact O-CG2 3.3Å; Q321-T325 WeakPolarHBondContact O-CG2 3.46Å; Q321-T325 PolarHBondContact O-N 3.47Å; Q321-T325 PolarHBondContact O-OG1 2.76Å; W323-T325 PolarHBondContact O-N 3.14Å; T325-M333 HydrophobicContact CG2-SD 3.81Å
326	V	74.2	Confident	71.2	Confident	77 Å²	77	61.1 Å²	61.1	47%	0.467	30%	0.301	S	S	.	.	I	π-helix	trans	-142.9	-36.1	-174.5	-179.8	0	0	0	0	114.5	R322 W323	R322-V326 PolarHBondContact O-N 3.38Å; R322-V326 VanDerWaalsContact O-N 3.1Å; W323-V326 PolarHBondContact O-N 2.89Å
327	L	76.8	Confident	71	Confident	37 Å²	37	62.6 Å²	62.6	19%	0.194	30%	0.303	C	S	.	.	I	π-helix	trans	-102	-23	-171.5	-55.9	177.5	0	0	0	114.5	D287 L290 R322 W323 P329	D287-L327 HydrophobicContact CB-CD1 4.16Å; D287-L327 HydrophobicContact CB-CD2 3.98Å; L290-L327 HydrophobicContact CB-CD1 4.23Å; L290-L327 HydrophobicContact CD2-CD1 3.8Å; L290-L327 HydrophobicContact CG-CD1 4.1Å; R322-L327 HydrophobicContact CG-CD1 3.95Å; R322-L327 HydrophobicContact CG-CG 4.29Å; R322-L327 PolarHBondContact O-N 3.34Å; W323-L327 HydrophobicContact CD2-CB 4.37Å; W323-L327 HydrophobicContact CE3-CB 3.48Å; W323-L327 VanDerWaalsContact CE3-CB 3.48Å; W323-L327 HydrophobicContact CE3-CD1 4.34Å; W323-L327 HydrophobicContact CZ3-CB 3.72Å; W323-L327 PolarHBondContact O-N 3.16Å; W323-L327 VanDerWaalsContact O-N 3.1Å; L327-P329 WeakPolarHBondContact O-CD 3.49Å
328	N	69.5	Low	71.2	Confident	3 Å²	3	61.6 Å²	61.6	2%	0.016	30%	0.304	C	S	.	.			trans	-67.3	116.7	-179	-175.7	-50.4	0	0	0	110.3	E299 W323 N330 F331	E299-N328 PolarHBondContact OE1-ND2 3.38Å; W323-N328 HydrophobicContact CD2-CB 4.15Å; W323-N328 HydrophobicContact CG-CB 4.17Å; W323-N328 HydrophobicContact CZ2-CB 4.34Å; W323-N328 PolarHBondContact NE1-ND2 2.93Å; W323-N328 WeakPolarHBondContact O-CB 3.37Å; W323-N328 PolarHBondContact O-N 2.84Å; N328-N330 VanDerWaalsContact C-N 3.26Å; N328-N330 PolarHBondContact O-N 2.71Å; N328-N330 WeakPolarHBondContact OD1-CA 3.3Å; N328-N330 VanDerWaalsContact OD1-CB 3.27Å; N328-N330 WeakPolarHBondContact OD1-CB 3.37Å; N328-N330 PolarHBondContact OD1-N 3.48Å; N328-F331 HydrophobicContact CB-CB 4.33Å; N328-F331 CarbonylContact O-C 3.57Å; N328-F331 PolarHBondContact O-N 3.28Å; N328-F331 PolarHBondContact OD1-N 3.28Å
329	P	67.4	Low	71.3	Confident	79 Å²	79	65.8 Å²	65.8	51%	0.513	33%	0.332	S	S	.	.	S	Bend	trans	-66.8	-29.3	-176.1	27	-34.2	0	0	0	112.7	L327 H332	L327-P329 WeakPolarHBondContact O-CD 3.49Å; P329-H332 PolarHBondContact O-CE1 3.49Å; P329-H332 VanDerWaalsContact O-CE1 3.22Å; P329-H332 PolarHBondContact O-ND1 3.47Å
330	N	61.7	Low	71.4	Confident	107 Å²	107	69.6 Å²	69.6	57%	0.572	36%	0.359	S	S	*	.	S	Bend	trans	-77	-28.1	179.2	-54.7	-51.2	0	0	0	112.1	N328	N328-N330 VanDerWaalsContact C-N 3.26Å; N328-N330 PolarHBondContact O-N 2.71Å; N328-N330 WeakPolarHBondContact OD1-CA 3.3Å; N328-N330 VanDerWaalsContact OD1-CB 3.27Å; N328-N330 WeakPolarHBondContact OD1-CB 3.37Å; N328-N330 PolarHBondContact OD1-N 3.48Å
331	F	59.5	Low	71.5	Confident	42 Å²	42	69.1 Å²	69.1	18%	0.184	36%	0.355	C	S	.	.			trans	-122.6	67.7	-174.3	-75.5	-79.3	0	0	0	114	R84 E89 N328 M333	R84-F331 HydrophobicContact CG-CZ 4.23Å; E89-F331 HydrophobicContact CG-CE2 4.42Å; N328-F331 HydrophobicContact CB-CB 4.33Å; N328-F331 CarbonylContact O-C 3.57Å; N328-F331 PolarHBondContact O-N 3.28Å; N328-F331 PolarHBondContact OD1-N 3.28Å; F331-M333 PolarHBondContact O-N 3.09Å; F331-M333 VanDerWaalsContact O-N 3.16Å
332	H	56.3	Low	72	Confident	106 Å²	106	68 Å²	68	49%	0.491	35%	0.35	S	S	.	.			trans	-73.4	99.9	169.6	-74.5	85.3	0	0	0	111.7	P329 Y334 R335	P329-H332 PolarHBondContact O-CE1 3.49Å; P329-H332 VanDerWaalsContact O-CE1 3.22Å; P329-H332 PolarHBondContact O-ND1 3.47Å; H332-Y334 PolarHBondContact O-N 2.76Å; H332-R335 HydrophobicContact CB-CB 4.14Å; H332-R335 WeakPolarHBondContact O-CB 3.41Å; H332-R335 PolarHBondContact O-N 3.01Å
333	M	51.5	Low	72.1	Confident	63 Å²	63	69.1 Å²	69.1	31%	0.31	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	135.3	166.1	-68.8	-155.2	82.3	0	0	109.8	T325 F331	T325-M333 HydrophobicContact CG2-SD 3.81Å; F331-M333 PolarHBondContact O-N 3.09Å; F331-M333 VanDerWaalsContact O-N 3.16Å
334	Y	56.6	Low	72.4	Confident	219 Å²	219	71.3 Å²	71.3	86%	0.859	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	15.2	-172.2	-49	-81.7	0	0	0	116.6	H332	H332-Y334 PolarHBondContact O-N 2.76Å
335	R	68.5	Low	73	Confident	142 Å²	142	70 Å²	70	54%	0.536	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-50.6	128.5	166.8	-169.8	-171.7	-152.4	-124.7	9.6	110.1	H332 E341 R373	H332-R335 HydrophobicContact CB-CB 4.14Å; H332-R335 WeakPolarHBondContact O-CB 3.41Å; H332-R335 PolarHBondContact O-N 3.01Å; R335-E341 IonicContact NH1-OE1 3.67Å; R335-E341 PolarHBondContact NH1-OE1 2.68Å; R335-E341 VanDerWaalsContact NH1-OE1 3.11Å; R335-R373 PolarHBondContact O-NH1 2.98Å; R335-R373 PolarHBondContact O-NH2 2.96Å
336	P	71.4	Confident	73.8	Confident	109 Å²	109	71.2 Å²	71.2	71%	0.708	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-59.1	147.8	175.9	26.1	-34.7	0	0	0	110.6	R373	P336-R373 PolarHBondContact O-NH2 3.02Å
337	W	78.6	Confident	74.4	Confident	47 Å²	47	70.8 Å²	70.8	18%	0.178	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-75.3	129.2	177.8	-75.3	72.1	0	0	0	109.9	E341 L345 H370 R373 E377 R381	W337-E341 HydrophobicContact CE3-CB 4Å; W337-E341 HydrophobicContact CZ3-CB 4.42Å; W337-L345 HydrophobicContact CH2-CD2 3.68Å; W337-L345 HydrophobicContact CZ3-CB 4.41Å; W337-L345 HydrophobicContact CZ3-CD2 3.61Å; W337-H370 AromaticContact CZ3-CE1 3.52Å; W337-R373 HydrophobicContact CH2-CB 4Å; W337-R373 HydrophobicContact CH2-CG 3.64Å; W337-R373 HydrophobicContact CZ2-CB 4.38Å; W337-R373 HydrophobicContact CZ2-CG 3.97Å; W337-R373 HydrophobicContact CZ3-CG 3.97Å; W337-E377 HydrophobicContact CZ2-CB 3.99Å; W337-R381 HydrophobicContact CD2-CB 4.24Å; W337-R381 HydrophobicContact CD2-CG 3.59Å; W337-R381 HydrophobicContact CE3-CB 4.48Å; W337-R381 HydrophobicContact CE3-CG 3.7Å; W337-R381 HydrophobicContact CG-CG 4.27Å; W337-R381 HydrophobicContact CH2-CB 3.65Å; W337-R381 HydrophobicContact CH2-CG 3.76Å; W337-R381 HydrophobicContact CZ2-CB 3.31Å; W337-R381 HydrophobicContact CZ2-CG 3.61Å; W337-R381 HydrophobicContact CZ3-CB 4.22Å; W337-R381 HydrophobicContact CZ3-CG 3.8Å
338	S	83.3	Confident	74.7	Confident	45 Å²	45	69.7 Å²	69.7	32%	0.315	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-79.7	156.6	170.5	68.1	0	0	0	0	110.9	S340 E341 D342	S338-S340 PolarHBondContact O-N 3.32Å; S338-E341 PolarHBondContact O-N 2.76Å; S338-E341 WeakPolarHBondContact OG-CB 3.17Å; S338-E341 WeakPolarHBondContact OG-CG 3.38Å; S338-E341 PolarHBondContact OG-N 3Å; S338-E341 VanDerWaalsContact OG-N 3.15Å; S338-E341 PolarHBondContact OG-OE1 2.67Å; S338-D342 PolarHBondContact O-N 2.95Å
339	T	82.2	Confident	75.4	Confident	119 Å²	119	69.6 Å²	69.6	73%	0.73	36%	0.361	S	S	*	.	H	α-helix	trans	-62	-30.5	173.3	29.4	0	0	0	0	112.3	D342 T343	T339-D342 PolarHBondContact O-N 2.86Å; T339-T343 PolarHBondContact O-N 3.08Å; T339-T343 PolarHBondContact O-OG1 3.12Å; T339-T343 VanDerWaalsContact O-OG1 3.09Å
340	S	83.3	Confident	76	Confident	80 Å²	80	72.1 Å²	72.1	56%	0.559	36%	0.364	S	S	*	.	H	α-helix	trans	-65.7	-49.6	174	-172.5	0	0	0	0	111.4	S338 D342 T343 E344	S338-S340 PolarHBondContact O-N 3.32Å; S340-D342 VanDerWaalsContact C-N 3.31Å; S340-D342 PolarHBondContact O-N 2.88Å; S340-T343 WeakPolarHBondContact CA-OG1 3.48Å; S340-T343 PolarHBondContact O-N 3.45Å; S340-T343 VanDerWaalsContact O-N 3.14Å; S340-T343 PolarHBondContact O-OG1 3.16Å; S340-E344 PolarHBondContact O-N 2.77Å
341	E	83.6	Confident	76.9	Confident	8 Å²	8	74.2 Å²	74.2	4%	0.037	37%	0.368	C	S	.	.	H	α-helix	trans	-58.2	-41.3	173.4	-72.2	159.5	-131.2	0	0	111.8	R335 W337 S338 E344 L345 H370 R373	R335-E341 IonicContact NH1-OE1 3.67Å; R335-E341 PolarHBondContact NH1-OE1 2.68Å; R335-E341 VanDerWaalsContact NH1-OE1 3.11Å; W337-E341 HydrophobicContact CE3-CB 4Å; W337-E341 HydrophobicContact CZ3-CB 4.42Å; S338-E341 PolarHBondContact O-N 2.76Å; S338-E341 WeakPolarHBondContact OG-CB 3.17Å; S338-E341 WeakPolarHBondContact OG-CG 3.38Å; S338-E341 PolarHBondContact OG-N 3Å; S338-E341 VanDerWaalsContact OG-N 3.15Å; S338-E341 PolarHBondContact OG-OE1 2.67Å; E341-E344 PolarHBondContact O-N 3.21Å; E341-L345 WeakPolarHBondContact O-CB 3.41Å; E341-L345 PolarHBondContact O-N 3.48Å; E341-H370 PolarHBondContact O-NE2 2.98Å; E341-R373 IonicContact OE2-CZ 3.55Å; E341-R373 VanDerWaalsContact OE2-CZ 3.23Å; E341-R373 IonicContact OE2-NE 3.06Å; E341-R373 PolarHBondContact OE2-NE 3.49Å; E341-R373 IonicContact OE2-NH2 2.71Å; E341-R373 PolarHBondContact OE2-NH2 2.97Å
342	D	85.8	Confident	77.7	Confident	26 Å²	26	73 Å²	73	14%	0.139	36%	0.363	C	S	.	.	H	α-helix	trans	-62.6	-43.1	175.4	-81.3	-11.8	0	0	0	111.9	S338 T339 S340 L345 I346 R381 I385	S338-D342 PolarHBondContact O-N 2.95Å; T339-D342 PolarHBondContact O-N 2.86Å; S340-D342 VanDerWaalsContact C-N 3.31Å; S340-D342 PolarHBondContact O-N 2.88Å; D342-L345 PolarHBondContact O-N 3.2Å; D342-I346 VanDerWaalsContact O-CG1 3.24Å; D342-I346 WeakPolarHBondContact O-CG1 3.47Å; D342-I346 PolarHBondContact O-N 2.96Å; D342-R381 IonicContact OD1-CZ 3.88Å; D342-R381 VanDerWaalsContact OD1-CZ 3.28Å; D342-R381 IonicContact OD1-NE 3.29Å; D342-R381 PolarHBondContact OD1-NE 2.94Å; D342-R381 IonicContact OD1-NH2 3.29Å; D342-R381 PolarHBondContact OD1-NH2 3.49Å; D342-R381 IonicContact OD2-CZ 2.68Å; D342-R381 IonicContact OD2-NE 2.74Å; D342-R381 IonicContact OD2-NH2 2.71Å; D342-R381 PolarHBondContact OD2-NH2 2.99Å; D342-I385 HydrophobicContact CB-CD1 3.89Å; D342-I385 WeakPolarHBondContact OD1-CD1 3.38Å
343	T	85.1	Confident	78.4	Confident	76 Å²	76	70.4 Å²	70.4	47%	0.466	35%	0.353	S	S	.	.	H	α-helix	trans	-66.8	-40.7	177.1	45.7	0	0	0	0	113.1	T339 S340 L345 I346 D347	T339-T343 PolarHBondContact O-N 3.08Å; T339-T343 PolarHBondContact O-OG1 3.12Å; T339-T343 VanDerWaalsContact O-OG1 3.09Å; S340-T343 WeakPolarHBondContact CA-OG1 3.48Å; S340-T343 PolarHBondContact O-N 3.45Å; S340-T343 VanDerWaalsContact O-N 3.14Å; S340-T343 PolarHBondContact O-OG1 3.16Å; T343-L345 VanDerWaalsContact C-N 3.35Å; T343-L345 PolarHBondContact O-N 2.87Å; T343-I346 WeakPolarHBondContact O-CB 3.48Å; T343-I346 PolarHBondContact O-N 3.22Å; T343-D347 PolarHBondContact O-N 3.41Å
344	E	85.3	Confident	79.4	Confident	56 Å²	56	72.2 Å²	72.2	26%	0.262	37%	0.369	S	S	.	.	H	α-helix	trans	-60.3	-45.7	174.8	-170.6	-175.6	171.7	0	0	110.5	S340 E341 D347 I348 H370 S371	S340-E344 PolarHBondContact O-N 2.77Å; E341-E344 PolarHBondContact O-N 3.21Å; E344-D347 PolarHBondContact O-N 3.31Å; E344-I348 HydrophobicContact CG-CD1 4.04Å; E344-I348 WeakPolarHBondContact O-CD1 3.29Å; E344-I348 VanDerWaalsContact O-CG1 3.25Å; E344-I348 WeakPolarHBondContact O-CG1 3.32Å; E344-I348 PolarHBondContact O-N 3.05Å; E344-H370 WeakPolarHBondContact OE1-CA 3.38Å; E344-H370 VanDerWaalsContact OE1-O 3.05Å; E344-H370 IonicContact OE2-CD2 3.83Å; E344-H370 IonicContact OE2-NE2 3.51Å; E344-S371 PolarHBondContact OE1-OG 3.06Å
345	L	85.6	Confident	79.8	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-65.6	-39.4	176.4	-178.2	56.8	0	0	0	112.3	W337 E341 D342 T343 D347 L349 V366 H370 C378 R381 I385	W337-L345 HydrophobicContact CH2-CD2 3.68Å; W337-L345 HydrophobicContact CZ3-CB 4.41Å; W337-L345 HydrophobicContact CZ3-CD2 3.61Å; E341-L345 WeakPolarHBondContact O-CB 3.41Å; E341-L345 PolarHBondContact O-N 3.48Å; D342-L345 PolarHBondContact O-N 3.2Å; T343-L345 VanDerWaalsContact C-N 3.35Å; T343-L345 PolarHBondContact O-N 2.87Å; L345-D347 VanDerWaalsContact C-N 3.33Å; L345-D347 PolarHBondContact O-N 3.08Å; L345-L349 HydrophobicContact CD1-CD1 4.09Å; L345-L349 HydrophobicContact CD1-CG 4.14Å; L345-L349 HydrophobicContact CG-CD1 4.08Å; L345-L349 WeakPolarHBondContact O-CB 3.18Å; L345-L349 WeakPolarHBondContact O-CG 3.41Å; L345-L349 PolarHBondContact O-N 3.49Å; L345-V366 HydrophobicContact CD1-CG1 3.4Å; L345-V366 VanDerWaalsContact CD1-CG1 3.4Å; L345-H370 PolarHBondContact N-CD2 3.18Å; L345-C378 HydrophobicContact CD1-CB 4.13Å; L345-R381 HydrophobicContact CD2-CB 4.03Å; L345-R381 HydrophobicContact CD2-CG 3.95Å; L345-I385 HydrophobicContact CB-CD1 4.45Å; L345-I385 HydrophobicContact CD2-CD1 3.93Å; L345-I385 HydrophobicContact CG-CD1 4.4Å
346	I	84.7	Confident	79.4	Confident	54 Å²	54	64.6 Å²	64.6	28%	0.277	34%	0.344	S	S	.	.	H	α-helix	trans	-57	-48.6	172.3	-72.9	163.4	0	0	0	110.2	D342 T343 L349 K350 I385	D342-I346 VanDerWaalsContact O-CG1 3.24Å; D342-I346 WeakPolarHBondContact O-CG1 3.47Å; D342-I346 PolarHBondContact O-N 2.96Å; T343-I346 WeakPolarHBondContact O-CB 3.48Å; T343-I346 PolarHBondContact O-N 3.22Å; I346-L349 CarbonylContact O-C 3.53Å; I346-L349 PolarHBondContact O-N 3.35Å; I346-K350 HydrophobicContact CG2-CD 4.13Å; I346-K350 VanDerWaalsContact CG2-CE 3.43Å; I346-K350 HydrophobicContact CG2-CG 4.22Å; I346-K350 WeakPolarHBondContact O-CG 3.45Å; I346-K350 PolarHBondContact O-N 3.06Å; I346-I385 HydrophobicContact CD1-CG2 3.53Å; I346-I385 HydrophobicContact CG1-CB 4.47Å; I346-I385 HydrophobicContact CG1-CG2 3.52Å
347	D	84.8	Confident	78.9	Confident	69 Å²	69	60.6 Å²	60.6	37%	0.369	32%	0.319	S	S	.	.	H	α-helix	trans	-75.2	-30.6	-171.8	-75.4	-2.7	0	0	0	112.9	T343 E344 L345 K350 K351	T343-D347 PolarHBondContact O-N 3.41Å; E344-D347 PolarHBondContact O-N 3.31Å; L345-D347 VanDerWaalsContact C-N 3.33Å; L345-D347 PolarHBondContact O-N 3.08Å; D347-K350 WeakPolarHBondContact OD1-CD 3.43Å; D347-K350 WeakPolarHBondContact OD1-CE 3.39Å; D347-K350 IonicContact OD1-NZ 2.94Å; D347-K350 PolarHBondContact OD1-NZ 2.97Å; D347-K351 WeakPolarHBondContact O-CD 3.47Å; D347-K351 VanDerWaalsContact O-CG 3.27Å; D347-K351 WeakPolarHBondContact O-CG 3.29Å; D347-K351 PolarHBondContact O-N 3.24Å; D347-K351 VanDerWaalsContact O-N 3.13Å
348	I	84.3	Confident	78.2	Confident	14 Å²	14	59.3 Å²	59.3	7%	0.072	32%	0.316	C	S	.	.	H	α-helix	trans	-63	-46.2	166.3	-67.2	162	0	0	0	110.3	E344 K351 L352 V366 H369 H370	E344-I348 HydrophobicContact CG-CD1 4.04Å; E344-I348 WeakPolarHBondContact O-CD1 3.29Å; E344-I348 VanDerWaalsContact O-CG1 3.25Å; E344-I348 WeakPolarHBondContact O-CG1 3.32Å; E344-I348 PolarHBondContact O-N 3.05Å; I348-K351 PolarHBondContact O-N 3.29Å; I348-L352 HydrophobicContact CG2-CD1 3.84Å; I348-L352 WeakPolarHBondContact O-CG 3.25Å; I348-L352 PolarHBondContact O-N 2.94Å; I348-V366 HydrophobicContact CG2-CG1 4.11Å; I348-H369 HydrophobicContact CD1-CB 3.58Å; I348-H369 HydrophobicContact CG1-CB 3.81Å; I348-H369 HydrophobicContact CG2-CB 4.05Å; I348-H370 VanDerWaalsContact CD1-CA 3.48Å; I348-H370 HydrophobicContact CD1-CB 3.73Å
349	L	83.7	Confident	77	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-66.7	-37.7	178.1	-69.2	173.2	0	0	0	112.3	L345 I346 K351 L352 L353 M361 W363 V366 A382 C386 F389	L345-L349 HydrophobicContact CD1-CD1 4.09Å; L345-L349 HydrophobicContact CD1-CG 4.14Å; L345-L349 HydrophobicContact CG-CD1 4.08Å; L345-L349 WeakPolarHBondContact O-CB 3.18Å; L345-L349 WeakPolarHBondContact O-CG 3.41Å; L345-L349 PolarHBondContact O-N 3.49Å; I346-L349 CarbonylContact O-C 3.53Å; I346-L349 PolarHBondContact O-N 3.35Å; L349-K351 VanDerWaalsContact C-N 3.29Å; L349-K351 PolarHBondContact O-N 3.43Å; L349-L352 PolarHBondContact O-N 2.71Å; L349-L353 HydrophobicContact CB-CD1 4.38Å; L349-L353 VanDerWaalsContact O-CB 3.25Å; L349-L353 WeakPolarHBondContact O-CB 3.4Å; L349-L353 WeakPolarHBondContact O-CD1 3.41Å; L349-L353 WeakPolarHBondContact O-CG 3.5Å; L349-L353 PolarHBondContact O-N 2.96Å; L349-M361 HydrophobicContact CD2-CE 4.33Å; L349-M361 HydrophobicContact CD2-CG 4.46Å; L349-W363 HydrophobicContact CD2-CH2 4.45Å; L349-W363 HydrophobicContact CD2-CZ3 4.28Å; L349-V366 HydrophobicContact CD2-CG2 4.43Å; L349-A382 HydrophobicContact CD1-CB 3.68Å; L349-C386 HydrophobicContact CD1-CB 3.99Å; L349-F389 HydrophobicContact CD1-CE2 4.16Å; L349-F389 HydrophobicContact CD2-CE2 3.82Å; L349-F389 HydrophobicContact CD2-CZ 3.96Å; L349-F389 HydrophobicContact CG-CE2 4.47Å
350	K	80.7	Confident	76.1	Confident	131 Å²	131	58.3 Å²	58.3	57%	0.57	32%	0.318	S	S	*	.	H	α-helix	trans	-57.9	-40.5	171.9	-75.5	175.7	-172	154.7	0	111.7	I346 D347 P354	I346-K350 HydrophobicContact CG2-CD 4.13Å; I346-K350 VanDerWaalsContact CG2-CE 3.43Å; I346-K350 HydrophobicContact CG2-CG 4.22Å; I346-K350 WeakPolarHBondContact O-CG 3.45Å; I346-K350 PolarHBondContact O-N 3.06Å; D347-K350 WeakPolarHBondContact OD1-CD 3.43Å; D347-K350 WeakPolarHBondContact OD1-CE 3.39Å; D347-K350 IonicContact OD1-NZ 2.94Å; D347-K350 PolarHBondContact OD1-NZ 2.97Å; K350-P354 WeakPolarHBondContact O-CD 3.13Å
351	K	80.6	Confident	75.5	Confident	151 Å²	151	54.9 Å²	54.9	66%	0.657	29%	0.294	S	S	*	.	H	α-helix	trans	-71.3	-33.8	178.5	-71.4	167	-176.3	174.9	0	112.8	D347 I348 L349 F355	D347-K351 WeakPolarHBondContact O-CD 3.47Å; D347-K351 VanDerWaalsContact O-CG 3.27Å; D347-K351 WeakPolarHBondContact O-CG 3.29Å; D347-K351 PolarHBondContact O-N 3.24Å; D347-K351 VanDerWaalsContact O-N 3.13Å; I348-K351 PolarHBondContact O-N 3.29Å; L349-K351 VanDerWaalsContact C-N 3.29Å; L349-K351 PolarHBondContact O-N 3.43Å; K351-F355 WeakPolarHBondContact O-CD2 3.44Å; K351-F355 WeakPolarHBondContact O-CE2 3.24Å
352	L	76.1	Confident	74.8	Confident	18 Å²	18	55.9 Å²	55.9	9%	0.094	30%	0.299	C	S	.	.	H	α-helix	trans	-91.8	-31.3	-175.8	-67.1	173.2	0	0	0	114.6	I348 L349 P354 F355 Y356 M361 V366	I348-L352 HydrophobicContact CG2-CD1 3.84Å; I348-L352 WeakPolarHBondContact O-CG 3.25Å; I348-L352 PolarHBondContact O-N 2.94Å; L349-L352 PolarHBondContact O-N 2.71Å; L352-P354 VanDerWaalsContact C-N 3.35Å; L352-F355 PolarHBondContact O-N 3.31Å; L352-Y356 HydrophobicContact CB-CD2 4.46Å; L352-Y356 HydrophobicContact CD2-CD2 4.32Å; L352-Y356 HydrophobicContact CD2-CE2 4.46Å; L352-Y356 PolarHBondContact O-N 2.95Å; L352-M361 HydrophobicContact CB-CE 3.81Å; L352-M361 HydrophobicContact CB-SD 3.88Å; L352-M361 HydrophobicContact CD1-SD 4.16Å; L352-V366 HydrophobicContact CD1-CG2 3.89Å
353	L	71.6	Confident	74.3	Confident	50 Å²	50	55.6 Å²	55.6	26%	0.262	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-29.6	-178.7	-81	166.9	0	0	0	116.1	L349 F355 P358 M361 A388 F389	L349-L353 HydrophobicContact CB-CD1 4.38Å; L349-L353 VanDerWaalsContact O-CB 3.25Å; L349-L353 WeakPolarHBondContact O-CB 3.4Å; L349-L353 WeakPolarHBondContact O-CD1 3.41Å; L349-L353 WeakPolarHBondContact O-CG 3.5Å; L349-L353 PolarHBondContact O-N 2.96Å; L353-F355 PolarHBondContact O-N 3.13Å; L353-P358 HydrophobicContact CD2-CG 3.85Å; L353-M361 HydrophobicContact CD2-CE 4.01Å; L353-M361 HydrophobicContact CG-CE 4.11Å; L353-A388 HydrophobicContact CD1-CB 4.12Å; L353-A388 HydrophobicContact CD2-CB 4.03Å; L353-F389 HydrophobicContact CD1-CE2 4.36Å; L353-F389 HydrophobicContact CD2-CE2 3.9Å; L353-F389 HydrophobicContact CD2-CZ 4Å; L353-F389 HydrophobicContact CG-CE2 4.39Å
354	P	70.9	Confident	73.4	Confident	101 Å²	101	56.5 Å²	56.5	66%	0.656	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-28.6	171.4	-25.4	35.9	0	0	0	113.8	K350 L352	K350-P354 WeakPolarHBondContact O-CD 3.13Å; L352-P354 VanDerWaalsContact C-N 3.35Å
355	F	64.7	Low	72.8	Confident	166 Å²	166	54.6 Å²	54.6	73%	0.728	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-27.3	-176.2	-52	-79.6	0	0	0	112.7	K351 L352 L353	K351-F355 WeakPolarHBondContact O-CD2 3.44Å; K351-F355 WeakPolarHBondContact O-CE2 3.24Å; L352-F355 PolarHBondContact O-N 3.31Å; L353-F355 PolarHBondContact O-N 3.13Å
356	Y	62	Low	72.5	Confident	35 Å²	35	54.6 Å²	54.6	14%	0.137	29%	0.29	C	S	.	.	S	Bend	trans	-122.1	116.8	-172.8	-71.1	-87.6	0	0	0	112.6	F66 L67 L352 M361	F66-Y356 WeakPolarHBondContact CB-OH 3.24Å; F66-Y356 PolarHBondContact O-OH 2.87Å; L67-Y356 HydrophobicContact CD2-CE2 3.96Å; L67-Y356 WeakPolarHBondContact CD2-OH 3.23Å; L67-Y356 WeakPolarHBondContact CG-OH 3.21Å; L352-Y356 HydrophobicContact CB-CD2 4.46Å; L352-Y356 HydrophobicContact CD2-CD2 4.32Å; L352-Y356 HydrophobicContact CD2-CE2 4.46Å; L352-Y356 PolarHBondContact O-N 2.95Å; Y356-M361 HydrophobicContact CG-SD 4.35Å
357	S	59.8	Low	72.1	Confident	26 Å²	26	53.1 Å²	53.1	18%	0.182	28%	0.284	C	S	.	.			trans	-57.4	139.7	168	179.9	0	0	0	0	110.5	G359 L360 M361	S357-G359 PolarHBondContact O-N 3.36Å; S357-L360 CarbonylContact O-C 3.41Å; S357-L360 WeakPolarHBondContact O-CA 3.27Å; S357-L360 PolarHBondContact O-N 3.25Å; S357-M361 PolarHBondContact O-N 2.83Å
358	P	64.8	Low	71.5	Confident	19 Å²	19	51.4 Å²	51.4	12%	0.123	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-22.4	-178.7	-28.9	35.3	0	0	0	115.6	L353 A388 F389	L353-P358 HydrophobicContact CD2-CG 3.85Å; P358-A388 WeakPolarHBondContact CB-O 3.27Å; P358-A388 HydrophobicContact CG-CB 3.98Å; P358-F389 HydrophobicContact CB-CD1 3.85Å; P358-F389 HydrophobicContact CB-CE1 3.7Å; P358-F389 HydrophobicContact CB-CG 4.42Å; P358-F389 HydrophobicContact CB-CZ 4.15Å; P358-F389 WeakPolarHBondContact O-CE1 3.4Å
359	G	57.6	Low	71	Confident	66 Å²	66	54.4 Å²	54.4	68%	0.68	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-13.6	174.2	0	0	0	0	0	115.2	S357	S357-G359 PolarHBondContact O-N 3.36Å
360	L	63.2	Low	70.6	Confident	78 Å²	78	54.4 Å²	54.4	41%	0.408	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	4.7	-178.6	-76.7	162.3	0	0	0	112.5	S357 D362 A453	S357-L360 CarbonylContact O-C 3.41Å; S357-L360 WeakPolarHBondContact O-CA 3.27Å; S357-L360 PolarHBondContact O-N 3.25Å; L360-D362 PolarHBondContact O-N 3.17Å; L360-A453 HydrophobicContact CD1-CB 4.4Å
361	M	70.3	Confident	70	Confident	8 Å²	8	49.9 Å²	49.9	4%	0.039	28%	0.278	C	S	.	.			trans	-58.5	128	176.8	-172.1	61.2	71.6	0	0	110.5	L349 L352 L353 Y356 S357 W363 V366 F389	L349-M361 HydrophobicContact CD2-CE 4.33Å; L349-M361 HydrophobicContact CD2-CG 4.46Å; L352-M361 HydrophobicContact CB-CE 3.81Å; L352-M361 HydrophobicContact CB-SD 3.88Å; L352-M361 HydrophobicContact CD1-SD 4.16Å; L353-M361 HydrophobicContact CD2-CE 4.01Å; L353-M361 HydrophobicContact CG-CE 4.11Å; Y356-M361 HydrophobicContact CG-SD 4.35Å; S357-M361 PolarHBondContact O-N 2.83Å; M361-W363 HydrophobicContact CB-CZ2 3.93Å; M361-W363 HydrophobicContact CG-CH2 4.07Å; M361-W363 HydrophobicContact CG-CZ2 3.92Å; M361-W363 HydrophobicContact CG-CZ3 4.43Å; M361-W363 PolarHBondContact O-NE1 2.93Å; M361-V366 HydrophobicContact CG-CG2 4.23Å; M361-V366 HydrophobicContact SD-CG2 4.26Å; M361-F389 HydrophobicContact CB-CE1 3.74Å; M361-F389 HydrophobicContact CB-CZ 3.95Å; M361-F389 HydrophobicContact CE-CZ 3.87Å; M361-F389 HydrophobicContact CG-CE1 4.06Å; M361-F389 HydrophobicContact CG-CZ 3.86Å
362	D	68.4	Low	69.5	Low	29 Å²	29	45.3 Å²	45.3	16%	0.155	26%	0.263	C	S	.	.			trans	-100.8	101.5	-173	-179.6	33.3	0	0	0	110.8	K64 L360 D364 I365	K64-D362 WeakPolarHBondContact CD-OD2 3.47Å; K64-D362 WeakPolarHBondContact CE-OD2 3.45Å; K64-D362 IonicContact NZ-OD1 3.65Å; K64-D362 PolarHBondContact NZ-OD1 3.28Å; K64-D362 IonicContact NZ-OD2 3.11Å; K64-D362 PolarHBondContact NZ-OD2 3.47Å; L360-D362 PolarHBondContact O-N 3.17Å; D362-D364 PolarHBondContact O-N 3.29Å; D362-I365 HydrophobicContact CB-CD1 3.62Å; D362-I365 HydrophobicContact CB-CG1 4.02Å; D362-I365 WeakPolarHBondContact O-CG1 3.44Å; D362-I365 PolarHBondContact O-N 2.92Å; D362-I365 WeakPolarHBondContact OD2-CG1 3.43Å
363	W	76.7	Confident	69.3	Low	20 Å²	20	44.9 Å²	44.9	8%	0.076	26%	0.26	C	S	.	.	H	α-helix	trans	-70.9	-18.8	-166.5	-58.6	92.4	0	0	0	114	L349 M361 I365 V366 S367 A375 C378 R379 A382 F389	L349-W363 HydrophobicContact CD2-CH2 4.45Å; L349-W363 HydrophobicContact CD2-CZ3 4.28Å; M361-W363 HydrophobicContact CB-CZ2 3.93Å; M361-W363 HydrophobicContact CG-CH2 4.07Å; M361-W363 HydrophobicContact CG-CZ2 3.92Å; M361-W363 HydrophobicContact CG-CZ3 4.43Å; M361-W363 PolarHBondContact O-NE1 2.93Å; W363-I365 VanDerWaalsContact C-N 3.3Å; W363-I365 PolarHBondContact O-N 3.46Å; W363-V366 HydrophobicContact CE3-CB 4.23Å; W363-V366 HydrophobicContact CE3-CG1 4.32Å; W363-V366 HydrophobicContact CE3-CG2 4.08Å; W363-V366 HydrophobicContact CZ3-CG1 4.47Å; W363-V366 HydrophobicContact CZ3-CG2 4.42Å; W363-V366 PolarHBondContact O-N 2.86Å; W363-S367 WeakPolarHBondContact O-CB 3.26Å; W363-S367 PolarHBondContact O-N 3.4Å; W363-A375 HydrophobicContact CB-CB 3.87Å; W363-A375 WeakPolarHBondContact O-CB 3.37Å; W363-C378 HydrophobicContact CE3-CB 4.13Å; W363-R379 HydrophobicContact CB-CB 4.43Å; W363-R379 HydrophobicContact CD2-CB 3.54Å; W363-R379 HydrophobicContact CD2-CG 3.85Å; W363-R379 VanDerWaalsContact CE3-CA 3.48Å; W363-R379 HydrophobicContact CE3-CB 3.86Å; W363-R379 HydrophobicContact CG-CB 3.76Å; W363-R379 HydrophobicContact CG-CG 4.04Å; W363-R379 HydrophobicContact CZ2-CG 4.22Å; W363-R379 HydrophobicContact CZ3-CB 4.47Å; W363-A382 HydrophobicContact CH2-CB 3.44Å; W363-A382 VanDerWaalsContact CH2-CB 3.44Å; W363-A382 HydrophobicContact CZ3-CB 3.57Å; W363-F389 AromaticContact CH2-CD1 3.78Å; W363-F389 HydrophobicContact CH2-CD1 3.78Å; W363-F389 AromaticContact CH2-CE1 3.49Å; W363-F389 HydrophobicContact CH2-CE1 3.49Å; W363-F389 VanDerWaalsContact CH2-CE1 3.49Å; W363-F389 HydrophobicContact CH2-CE2 4.45Å; W363-F389 HydrophobicContact CH2-CG 4.38Å; W363-F389 AromaticContact CH2-CZ 3.86Å; W363-F389 HydrophobicContact CH2-CZ 3.86Å; W363-F389 AromaticContact CZ2-CD1 3.78Å; W363-F389 HydrophobicContact CZ2-CD1 3.78Å; W363-F389 AromaticContact CZ2-CE1 3.46Å; W363-F389 HydrophobicContact CZ2-CE1 3.46Å; W363-F389 VanDerWaalsContact CZ2-CE1 3.46Å; W363-F389 HydrophobicContact CZ2-CZ 4.22Å
364	D	66	Low	69.1	Low	95 Å²	95	42.8 Å²	42.8	51%	0.508	25%	0.249	S	C	.	.	H	α-helix	trans	-60.8	-42.3	173.4	-54.3	-20.2	0	0	0	110.1	K64 D362 A368	K64-D364 IonicContact NZ-OD2 3.78Å; K64-D364 PolarHBondContact NZ-OD2 2.95Å; D362-D364 PolarHBondContact O-N 3.29Å; D364-A368 WeakPolarHBondContact O-CB 3.46Å; D364-A368 PolarHBondContact O-N 3.31Å
365	I	72.6	Confident	69.1	Low	16 Å²	16	38.3 Å²	38.3	8%	0.082	22%	0.221	C	C	.	.	H	α-helix	trans	-68.9	-42	176.6	-31.7	157.4	0	0	0	110.8	L67 D362 W363 S367 A368 H369	L67-I365 HydrophobicContact CD1-CD1 3.57Å; L67-I365 HydrophobicContact CD1-CG1 3.69Å; L67-I365 HydrophobicContact CD2-CD1 3.57Å; L67-I365 HydrophobicContact CD2-CG1 4.41Å; L67-I365 HydrophobicContact CG-CD1 4.12Å; D362-I365 HydrophobicContact CB-CD1 3.62Å; D362-I365 HydrophobicContact CB-CG1 4.02Å; D362-I365 WeakPolarHBondContact O-CG1 3.44Å; D362-I365 PolarHBondContact O-N 2.92Å; D362-I365 WeakPolarHBondContact OD2-CG1 3.43Å; W363-I365 VanDerWaalsContact C-N 3.3Å; W363-I365 PolarHBondContact O-N 3.46Å; I365-S367 VanDerWaalsContact C-N 3.27Å; I365-S367 PolarHBondContact O-N 3.12Å; I365-A368 PolarHBondContact O-N 3.22Å; I365-A368 VanDerWaalsContact O-N 3.17Å; I365-H369 PolarHBondContact O-CD2 3.4Å; I365-H369 PolarHBondContact O-N 2.79Å
366	V	78.7	Confident	69.2	Low	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.8	-42	-179.7	-177	0	0	0	0	109.7	L345 I348 L349 L352 M361 W363 H369 H370 C378	L345-V366 HydrophobicContact CD1-CG1 3.4Å; L345-V366 VanDerWaalsContact CD1-CG1 3.4Å; I348-V366 HydrophobicContact CG2-CG1 4.11Å; L349-V366 HydrophobicContact CD2-CG2 4.43Å; L352-V366 HydrophobicContact CD1-CG2 3.89Å; M361-V366 HydrophobicContact CG-CG2 4.23Å; M361-V366 HydrophobicContact SD-CG2 4.26Å; W363-V366 HydrophobicContact CE3-CB 4.23Å; W363-V366 HydrophobicContact CE3-CG1 4.32Å; W363-V366 HydrophobicContact CE3-CG2 4.08Å; W363-V366 HydrophobicContact CZ3-CG1 4.47Å; W363-V366 HydrophobicContact CZ3-CG2 4.42Å; W363-V366 PolarHBondContact O-N 2.86Å; V366-H369 PolarHBondContact O-N 3.01Å; V366-H370 WeakPolarHBondContact O-CB 3.22Å; V366-H370 PolarHBondContact O-N 3.48Å; V366-C378 HydrophobicContact CG1-CB 3.83Å
367	S	76.4	Confident	69.9	Low	23 Å²	23	33.7 Å²	33.7	16%	0.161	21%	0.205	C	C	.	.	H	α-helix	trans	-65.5	-43.4	173.3	-171.7	0	0	0	0	112.5	W363 I365 H369 H370 R373 S374 A375	W363-S367 WeakPolarHBondContact O-CB 3.26Å; W363-S367 PolarHBondContact O-N 3.4Å; I365-S367 VanDerWaalsContact C-N 3.27Å; I365-S367 PolarHBondContact O-N 3.12Å; S367-H369 PolarHBondContact O-N 2.79Å; S367-H370 PolarHBondContact O-N 2.99Å; S367-R373 PolarHBondContact OG-O 3.45Å; S367-S374 WeakPolarHBondContact OG-CA 3.34Å; S367-A375 PolarHBondContact OG-N 2.96Å
368	A	72.6	Confident	70.9	Confident	33 Å²	33	32.4 Å²	32.4	27%	0.273	20%	0.196	S	C	.	.	H	α-helix	trans	-64.1	-23	177.7	0	0	0	0	0	114.1	N78 D364 I365	N78-A368 VanDerWaalsContact CG-O 3.23Å; N78-A368 PolarHBondContact ND2-O 3.02Å; N78-A368 PolarHBondContact OD1-O 2.72Å; D364-A368 WeakPolarHBondContact O-CB 3.46Å; D364-A368 PolarHBondContact O-N 3.31Å; I365-A368 PolarHBondContact O-N 3.22Å; I365-A368 VanDerWaalsContact O-N 3.17Å
369	H	74.4	Confident	71.6	Confident	77 Å²	77	38 Å²	38	36%	0.356	22%	0.215	S	C	.	.	H	α-helix	trans	-90.3	-33	170.2	-73	-54.1	0	0	0	113.7	I348 I365 V366 S367 S371	I348-H369 HydrophobicContact CD1-CB 3.58Å; I348-H369 HydrophobicContact CG1-CB 3.81Å; I348-H369 HydrophobicContact CG2-CB 4.05Å; I365-H369 PolarHBondContact O-CD2 3.4Å; I365-H369 PolarHBondContact O-N 2.79Å; V366-H369 PolarHBondContact O-N 3.01Å; S367-H369 PolarHBondContact O-N 2.79Å; H369-S371 VanDerWaalsContact C-N 3.28Å; H369-S371 PolarHBondContact O-N 3.22Å
370	H	74.5	Confident	72.5	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-79.8	-1.2	-168.5	-171	-111.1	0	0	0	115.5	W337 E341 E344 L345 I348 V366 S367 T372 R373	W337-H370 AromaticContact CZ3-CE1 3.52Å; E341-H370 PolarHBondContact O-NE2 2.98Å; E344-H370 WeakPolarHBondContact OE1-CA 3.38Å; E344-H370 VanDerWaalsContact OE1-O 3.05Å; E344-H370 IonicContact OE2-CD2 3.83Å; E344-H370 IonicContact OE2-NE2 3.51Å; L345-H370 PolarHBondContact N-CD2 3.18Å; I348-H370 VanDerWaalsContact CD1-CA 3.48Å; I348-H370 HydrophobicContact CD1-CB 3.73Å; V366-H370 WeakPolarHBondContact O-CB 3.22Å; V366-H370 PolarHBondContact O-N 3.48Å; S367-H370 PolarHBondContact O-N 2.99Å; H370-T372 PolarHBondContact CE1-OG1 3.26Å; H370-T372 VanDerWaalsContact CE1-OG1 3.27Å; H370-T372 PolarHBondContact ND1-OG1 3.46Å; H370-T372 PolarHBondContact O-N 3.21Å; H370-T372 PolarHBondContact O-OG1 2.9Å; H370-R373 VanDerWaalsContact CE1-CG 3.48Å; H370-R373 WeakPolarHBondContact CE1-CG 3.4Å; H370-R373 WeakPolarHBondContact ND1-CB 3.33Å; H370-R373 WeakPolarHBondContact ND1-CG 3.1Å
371	S	68	Low	73.4	Confident	36 Å²	36	36.5 Å²	36.5	25%	0.252	19%	0.194	S	C	.	.	S	Bend	trans	57.1	-15.8	169.2	73.4	0	0	0	0	118.6	D80 R84 E344 H369	D80-S371 VanDerWaalsContact CG-O 3.27Å; R84-S371 PolarHBondContact NH1-O 3.17Å; R84-S371 PolarHBondContact NH2-O 3.03Å; E344-S371 PolarHBondContact OE1-OG 3.06Å; H369-S371 VanDerWaalsContact C-N 3.28Å; H369-S371 PolarHBondContact O-N 3.22Å
372	T	69.4	Low	74	Confident	56 Å²	56	36.1 Å²	36.1	34%	0.344	19%	0.192	S	C	.	.	S	Bend	trans	-133.7	-20.4	-167.3	55.6	0	0	0	0	113.8	H370	H370-T372 PolarHBondContact CE1-OG1 3.26Å; H370-T372 VanDerWaalsContact CE1-OG1 3.27Å; H370-T372 PolarHBondContact ND1-OG1 3.46Å; H370-T372 PolarHBondContact O-N 3.21Å; H370-T372 PolarHBondContact O-OG1 2.9Å
373	R	71.8	Confident	74.4	Confident	9 Å²	9	36.5 Å²	36.5	3%	0.034	20%	0.196	C	C	.	.	S	Bend	trans	-129.1	152.5	-173.8	-57.9	-65.8	-172.4	152.6	-1.8	113.9	R335 P336 W337 E341 S367 H370 E377	R335-R373 PolarHBondContact O-NH1 2.98Å; R335-R373 PolarHBondContact O-NH2 2.96Å; P336-R373 PolarHBondContact O-NH2 3.02Å; W337-R373 HydrophobicContact CH2-CB 4Å; W337-R373 HydrophobicContact CH2-CG 3.64Å; W337-R373 HydrophobicContact CZ2-CB 4.38Å; W337-R373 HydrophobicContact CZ2-CG 3.97Å; W337-R373 HydrophobicContact CZ3-CG 3.97Å; E341-R373 IonicContact OE2-CZ 3.55Å; E341-R373 VanDerWaalsContact OE2-CZ 3.23Å; E341-R373 IonicContact OE2-NE 3.06Å; E341-R373 PolarHBondContact OE2-NE 3.49Å; E341-R373 IonicContact OE2-NH2 2.71Å; E341-R373 PolarHBondContact OE2-NH2 2.97Å; S367-R373 PolarHBondContact OG-O 3.45Å; H370-R373 VanDerWaalsContact CE1-CG 3.48Å; H370-R373 WeakPolarHBondContact CE1-CG 3.4Å; H370-R373 WeakPolarHBondContact ND1-CB 3.33Å; H370-R373 WeakPolarHBondContact ND1-CG 3.1Å; R373-E377 HydrophobicContact CB-CB 4.08Å; R373-E377 WeakPolarHBondContact CD-OE1 3.18Å; R373-E377 IonicContact CZ-OE1 2.71Å; R373-E377 IonicContact NH1-OE1 3.34Å; R373-E377 PolarHBondContact NH1-OE1 2.99Å
374	S	68.2	Low	74.5	Confident	6 Å²	6	38.5 Å²	38.5	4%	0.042	21%	0.208	C	C	.	.			trans	-72.3	161.2	176.4	61.2	0	0	0	0	113.8	S367 N376 E377 C378	S367-S374 WeakPolarHBondContact OG-CA 3.34Å; S374-N376 VanDerWaalsContact C-N 3.27Å; S374-N376 PolarHBondContact O-N 3.41Å; S374-E377 WeakPolarHBondContact CB-OE2 3.41Å; S374-E377 PolarHBondContact N-OE2 2.97Å; S374-E377 PolarHBondContact O-N 2.87Å; S374-E377 VanDerWaalsContact O-N 3.13Å; S374-E377 WeakPolarHBondContact OG-CB 3.45Å; S374-E377 VanDerWaalsContact OG-CG 3.23Å; S374-E377 WeakPolarHBondContact OG-CG 3.43Å; S374-E377 PolarHBondContact OG-N 3.25Å; S374-E377 VanDerWaalsContact OG-N 3.16Å; S374-E377 PolarHBondContact OG-OE2 3.49Å; S374-C378 PolarHBondContact O-N 2.89Å; S374-C378 PolarHBondContact O-SG 3.02Å
375	A	70.7	Confident	75.2	Confident	7 Å²	7	35.6 Å²	35.6	6%	0.058	19%	0.192	C	C	.	.	H	α-helix	trans	-55.3	-42.2	174.3	0	0	0	0	0	112	W363 S367 R379	W363-A375 HydrophobicContact CB-CB 3.87Å; W363-A375 WeakPolarHBondContact O-CB 3.37Å; S367-A375 PolarHBondContact OG-N 2.96Å; A375-R379 WeakPolarHBondContact O-CB 3.17Å; A375-R379 PolarHBondContact O-N 3.28Å
376	N	67.6	Low	75.3	Confident	64 Å²	64	35.9 Å²	35.9	34%	0.342	20%	0.195	S	C	.	.	H	α-helix	trans	-70.3	-35.2	176.8	-92.4	-52	0	0	0	113.6	D94 S374 S380	D94-N376 PolarHBondContact OD1-ND2 3.43Å; S374-N376 VanDerWaalsContact C-N 3.27Å; S374-N376 PolarHBondContact O-N 3.41Å; N376-S380 WeakPolarHBondContact O-CB 3.27Å; N376-S380 PolarHBondContact O-N 2.88Å
377	E	76.2	Confident	74.8	Confident	39 Å²	39	38.2 Å²	38.2	18%	0.182	21%	0.211	C	C	.	.	H	α-helix	trans	-64.5	-53	172.4	-80.3	170	110.4	0	0	111.2	W337 R373 S374 R379 S380 R381	W337-E377 HydrophobicContact CZ2-CB 3.99Å; R373-E377 HydrophobicContact CB-CB 4.08Å; R373-E377 WeakPolarHBondContact CD-OE1 3.18Å; R373-E377 IonicContact CZ-OE1 2.71Å; R373-E377 IonicContact NH1-OE1 3.34Å; R373-E377 PolarHBondContact NH1-OE1 2.99Å; S374-E377 WeakPolarHBondContact CB-OE2 3.41Å; S374-E377 PolarHBondContact N-OE2 2.97Å; S374-E377 PolarHBondContact O-N 2.87Å; S374-E377 VanDerWaalsContact O-N 3.13Å; S374-E377 WeakPolarHBondContact OG-CB 3.45Å; S374-E377 VanDerWaalsContact OG-CG 3.23Å; S374-E377 WeakPolarHBondContact OG-CG 3.43Å; S374-E377 PolarHBondContact OG-N 3.25Å; S374-E377 VanDerWaalsContact OG-N 3.16Å; S374-E377 PolarHBondContact OG-OE2 3.49Å; E377-R379 VanDerWaalsContact C-N 3.26Å; E377-R379 PolarHBondContact O-N 3.31Å; E377-S380 WeakPolarHBondContact O-CA 3.4Å; E377-S380 WeakPolarHBondContact O-CB 3.43Å; E377-S380 PolarHBondContact O-N 2.95Å; E377-S380 PolarHBondContact O-OG 3.14Å; E377-R381 WeakPolarHBondContact O-CB 3.13Å; E377-R381 PolarHBondContact O-N 2.68Å
378	C	81.2	Confident	74.1	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-55.2	-42.2	176.1	-67.9	0	0	0	0	111.7	L345 W363 V366 S374 S380 R381 A382	L345-C378 HydrophobicContact CD1-CB 4.13Å; W363-C378 HydrophobicContact CE3-CB 4.13Å; V366-C378 HydrophobicContact CG1-CB 3.83Å; S374-C378 PolarHBondContact O-N 2.89Å; S374-C378 PolarHBondContact O-SG 3.02Å; C378-S380 VanDerWaalsContact C-N 3.33Å; C378-S380 PolarHBondContact O-N 3.18Å; C378-R381 PolarHBondContact O-N 3.32Å; C378-A382 VanDerWaalsContact O-CB 3.29Å; C378-A382 WeakPolarHBondContact O-CB 3.5Å; C378-A382 PolarHBondContact O-N 3.47Å
379	R	79	Confident	73.8	Confident	137 Å²	137	37.3 Å²	37.3	52%	0.517	21%	0.205	S	C	.	.	H	α-helix	trans	-63.8	-33.4	174.9	-173.1	174.4	-168.5	168.7	8.7	113.7	W363 A375 E377 P383	W363-R379 HydrophobicContact CB-CB 4.43Å; W363-R379 HydrophobicContact CD2-CB 3.54Å; W363-R379 HydrophobicContact CD2-CG 3.85Å; W363-R379 VanDerWaalsContact CE3-CA 3.48Å; W363-R379 HydrophobicContact CE3-CB 3.86Å; W363-R379 HydrophobicContact CG-CB 3.76Å; W363-R379 HydrophobicContact CG-CG 4.04Å; W363-R379 HydrophobicContact CZ2-CG 4.22Å; W363-R379 HydrophobicContact CZ3-CB 4.47Å; A375-R379 WeakPolarHBondContact O-CB 3.17Å; A375-R379 PolarHBondContact O-N 3.28Å; E377-R379 VanDerWaalsContact C-N 3.26Å; E377-R379 PolarHBondContact O-N 3.31Å; R379-P383 WeakPolarHBondContact O-CD 3.44Å
380	S	77	Confident	73	Confident	71 Å²	71	37.7 Å²	37.7	50%	0.497	21%	0.207	S	C	.	.	H	α-helix	trans	-77.1	-31.4	176.5	77.8	0	0	0	0	112.8	N376 E377 C378	N376-S380 WeakPolarHBondContact O-CB 3.27Å; N376-S380 PolarHBondContact O-N 2.88Å; E377-S380 WeakPolarHBondContact O-CA 3.4Å; E377-S380 WeakPolarHBondContact O-CB 3.43Å; E377-S380 PolarHBondContact O-N 2.95Å; E377-S380 PolarHBondContact O-OG 3.14Å; C378-S380 VanDerWaalsContact C-N 3.33Å; C378-S380 PolarHBondContact O-N 3.18Å
381	R	82.3	Confident	71.8	Confident	40 Å²	40	41.3 Å²	41.3	15%	0.151	23%	0.227	C	C	.	.	H	α-helix	trans	-88.6	-36	-175.3	-173.4	71.4	173.1	177	-0.4	113.4	W337 D342 L345 E377 C378 I384 I385	W337-R381 HydrophobicContact CD2-CB 4.24Å; W337-R381 HydrophobicContact CD2-CG 3.59Å; W337-R381 HydrophobicContact CE3-CB 4.48Å; W337-R381 HydrophobicContact CE3-CG 3.7Å; W337-R381 HydrophobicContact CG-CG 4.27Å; W337-R381 HydrophobicContact CH2-CB 3.65Å; W337-R381 HydrophobicContact CH2-CG 3.76Å; W337-R381 HydrophobicContact CZ2-CB 3.31Å; W337-R381 HydrophobicContact CZ2-CG 3.61Å; W337-R381 HydrophobicContact CZ3-CB 4.22Å; W337-R381 HydrophobicContact CZ3-CG 3.8Å; D342-R381 IonicContact OD1-CZ 3.88Å; D342-R381 VanDerWaalsContact OD1-CZ 3.28Å; D342-R381 IonicContact OD1-NE 3.29Å; D342-R381 PolarHBondContact OD1-NE 2.94Å; D342-R381 IonicContact OD1-NH2 3.29Å; D342-R381 PolarHBondContact OD1-NH2 3.49Å; D342-R381 IonicContact OD2-CZ 2.68Å; D342-R381 IonicContact OD2-NE 2.74Å; D342-R381 IonicContact OD2-NH2 2.71Å; D342-R381 PolarHBondContact OD2-NH2 2.99Å; L345-R381 HydrophobicContact CD2-CB 4.03Å; L345-R381 HydrophobicContact CD2-CG 3.95Å; E377-R381 WeakPolarHBondContact O-CB 3.13Å; E377-R381 PolarHBondContact O-N 2.68Å; C378-R381 PolarHBondContact O-N 3.32Å; R381-I384 WeakPolarHBondContact O-CA 3.33Å; R381-I384 VanDerWaalsContact O-CB 3.29Å; R381-I384 WeakPolarHBondContact O-CB 3.2Å; R381-I384 PolarHBondContact O-N 3.19Å; R381-I385 HydrophobicContact CG-CD1 3.58Å; R381-I385 HydrophobicContact CG-CG1 3.88Å; R381-I385 PolarHBondContact O-N 2.7Å; R381-I385 VanDerWaalsContact O-N 3.17Å
382	A	82.3	Confident	70.8	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-54.9	-39.1	-179.8	0	0	0	0	0	114.3	L349 W363 C378 I384 C386 F389	L349-A382 HydrophobicContact CD1-CB 3.68Å; W363-A382 HydrophobicContact CH2-CB 3.44Å; W363-A382 VanDerWaalsContact CH2-CB 3.44Å; W363-A382 HydrophobicContact CZ3-CB 3.57Å; C378-A382 VanDerWaalsContact O-CB 3.29Å; C378-A382 WeakPolarHBondContact O-CB 3.5Å; C378-A382 PolarHBondContact O-N 3.47Å; A382-I384 PolarHBondContact O-N 2.93Å; A382-C386 WeakPolarHBondContact O-CA 3.4Å; A382-C386 WeakPolarHBondContact O-CB 3.38Å; A382-C386 PolarHBondContact O-N 3.32Å; A382-F389 HydrophobicContact CB-CB 4.49Å; A382-F389 HydrophobicContact CB-CD2 4.11Å; A382-F389 HydrophobicContact CB-CG 4.19Å
383	P	76	Confident	69.3	Low	37 Å²	37	45.5 Å²	45.5	24%	0.24	24%	0.243	C	C	.	.	H	α-helix	trans	-63.8	-17	171.1	-22.2	33.3	0	0	0	115.3	R379 F389 Q390	R379-P383 WeakPolarHBondContact O-CD 3.44Å; P383-F389 HydrophobicContact CB-CB 4.23Å; P383-F389 HydrophobicContact CG-CB 4.04Å; P383-Q390 WeakPolarHBondContact O-CG 3.38Å
384	I	79.8	Confident	67.6	Low	63 Å²	63	50.5 Å²	50.5	32%	0.323	28%	0.276	S	S	.	.	H	α-helix	trans	-87.8	-50.3	179.2	-55	174	0	0	0	109.5	R381 A382 L400	R381-I384 WeakPolarHBondContact O-CA 3.33Å; R381-I384 VanDerWaalsContact O-CB 3.29Å; R381-I384 WeakPolarHBondContact O-CB 3.2Å; R381-I384 PolarHBondContact O-N 3.19Å; A382-I384 PolarHBondContact O-N 2.93Å; I384-L400 HydrophobicContact CD1-CD2 4.36Å
385	I	81.7	Confident	66.1	Low	33 Å²	33	58.2 Å²	58.2	17%	0.169	31%	0.309	C	S	.	.	H	α-helix	trans	-82.6	-42.4	-176.5	-37.7	164.7	0	0	0	112.3	D342 L345 I346 R381	D342-I385 HydrophobicContact CB-CD1 3.89Å; D342-I385 WeakPolarHBondContact OD1-CD1 3.38Å; L345-I385 HydrophobicContact CB-CD1 4.45Å; L345-I385 HydrophobicContact CD2-CD1 3.93Å; L345-I385 HydrophobicContact CG-CD1 4.4Å; I346-I385 HydrophobicContact CD1-CG2 3.53Å; I346-I385 HydrophobicContact CG1-CB 4.47Å; I346-I385 HydrophobicContact CG1-CG2 3.52Å; R381-I385 HydrophobicContact CG-CD1 3.58Å; R381-I385 HydrophobicContact CG-CG1 3.88Å; R381-I385 PolarHBondContact O-N 2.7Å; R381-I385 VanDerWaalsContact O-N 3.17Å
386	C	73.7	Confident	64.5	Low	23 Å²	23	61 Å²	61	16%	0.155	33%	0.325	C	S	.	.			trans	-105.5	117.4	-169.6	-174.4	0	0	0	0	111.7	L349 A382 A388 F389	L349-C386 HydrophobicContact CD1-CB 3.99Å; A382-C386 WeakPolarHBondContact O-CA 3.4Å; A382-C386 WeakPolarHBondContact O-CB 3.38Å; A382-C386 PolarHBondContact O-N 3.32Å; C386-A388 PolarHBondContact O-N 3.26Å; C386-A388 VanDerWaalsContact O-N 3.1Å; C386-F389 HydrophobicContact CB-CD2 3.97Å; C386-F389 PolarHBondContact O-N 3.42Å; C386-F389 VanDerWaalsContact O-N 3.08Å
387	S	67.1	Low	62.9	Low	49 Å²	49	66.1 Å²	66.1	34%	0.343	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-59.7	-24.3	-176.9	58.7	0	0	0	0	114.3	F389	S387-F389 PolarHBondContact O-N 3.35Å
388	A	63.7	Low	60.9	Low	37 Å²	37	75.1 Å²	75.1	31%	0.306	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-62.5	-23.4	176	0	0	0	0	0	114	L353 P358 C386	L353-A388 HydrophobicContact CD1-CB 4.12Å; L353-A388 HydrophobicContact CD2-CB 4.03Å; P358-A388 WeakPolarHBondContact CB-O 3.27Å; P358-A388 HydrophobicContact CG-CB 3.98Å; C386-A388 PolarHBondContact O-N 3.26Å; C386-A388 VanDerWaalsContact O-N 3.1Å
389	F	65.8	Low	58.9	Low	0 Å²	0	81 Å²	81	0%	0	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-105.7	-5.7	-173.7	-68.3	-85.1	0	0	0	114.8	L349 L353 P358 M361 W363 A382 P383 C386 S387 N391 I392	L349-F389 HydrophobicContact CD1-CE2 4.16Å; L349-F389 HydrophobicContact CD2-CE2 3.82Å; L349-F389 HydrophobicContact CD2-CZ 3.96Å; L349-F389 HydrophobicContact CG-CE2 4.47Å; L353-F389 HydrophobicContact CD1-CE2 4.36Å; L353-F389 HydrophobicContact CD2-CE2 3.9Å; L353-F389 HydrophobicContact CD2-CZ 4Å; L353-F389 HydrophobicContact CG-CE2 4.39Å; P358-F389 HydrophobicContact CB-CD1 3.85Å; P358-F389 HydrophobicContact CB-CE1 3.7Å; P358-F389 HydrophobicContact CB-CG 4.42Å; P358-F389 HydrophobicContact CB-CZ 4.15Å; P358-F389 WeakPolarHBondContact O-CE1 3.4Å; M361-F389 HydrophobicContact CB-CE1 3.74Å; M361-F389 HydrophobicContact CB-CZ 3.95Å; M361-F389 HydrophobicContact CE-CZ 3.87Å; M361-F389 HydrophobicContact CG-CE1 4.06Å; M361-F389 HydrophobicContact CG-CZ 3.86Å; W363-F389 AromaticContact CH2-CD1 3.78Å; W363-F389 HydrophobicContact CH2-CD1 3.78Å; W363-F389 AromaticContact CH2-CE1 3.49Å; W363-F389 HydrophobicContact CH2-CE1 3.49Å; W363-F389 VanDerWaalsContact CH2-CE1 3.49Å; W363-F389 HydrophobicContact CH2-CE2 4.45Å; W363-F389 HydrophobicContact CH2-CG 4.38Å; W363-F389 AromaticContact CH2-CZ 3.86Å; W363-F389 HydrophobicContact CH2-CZ 3.86Å; W363-F389 AromaticContact CZ2-CD1 3.78Å; W363-F389 HydrophobicContact CZ2-CD1 3.78Å; W363-F389 AromaticContact CZ2-CE1 3.46Å; W363-F389 HydrophobicContact CZ2-CE1 3.46Å; W363-F389 VanDerWaalsContact CZ2-CE1 3.46Å; W363-F389 HydrophobicContact CZ2-CZ 4.22Å; A382-F389 HydrophobicContact CB-CB 4.49Å; A382-F389 HydrophobicContact CB-CD2 4.11Å; A382-F389 HydrophobicContact CB-CG 4.19Å; P383-F389 HydrophobicContact CB-CB 4.23Å; P383-F389 HydrophobicContact CG-CB 4.04Å; C386-F389 HydrophobicContact CB-CD2 3.97Å; C386-F389 PolarHBondContact O-N 3.42Å; C386-F389 VanDerWaalsContact O-N 3.08Å; S387-F389 PolarHBondContact O-N 3.35Å; F389-N391 PolarHBondContact O-N 2.95Å; F389-I392 HydrophobicContact CD1-CD1 4.09Å; F389-I392 PolarHBondContact O-N 2.77Å
390	Q	56.9	Low	56.6	Low	84 Å²	84	79.3 Å²	79.3	39%	0.393	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-20.8	-171.4	-79.1	173.8	-3.8	0	0	115.1	P383 I392	P383-Q390 WeakPolarHBondContact O-CG 3.38Å; Q390-I392 PolarHBondContact O-N 3.17Å
391	N	50	Low	54.6	Low	77 Å²	77	82 Å²	82	41%	0.412	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	4.3	-173.9	-77.2	-38.3	0	0	0	116	F389	F389-N391 PolarHBondContact O-N 2.95Å
392	I	46.9	Very low	52.4	Low	96 Å²	96	84.7 Å²	84.7	49%	0.492	45%	0.447	S	S	.	.	S	Bend	trans	-87.9	-24.4	-168.8	-64.6	178.3	0	0	0	114.3	F389 Q390	F389-I392 HydrophobicContact CD1-CD1 4.09Å; F389-I392 PolarHBondContact O-N 2.77Å; Q390-I392 PolarHBondContact O-N 3.17Å
393	N	38.4	Very low	50.4	Low	84 Å²	84	91.5 Å²	91.5	45%	0.449	48%	0.484	S	S	.	.			trans	-148.3	98.6	-174.8	-165.7	-9.5	0	0	0	115.9	K395 V396	N393-K395 PolarHBondContact O-N 3.44Å; N393-K395 WeakPolarHBondContact OD1-CB 3.48Å; N393-K395 PolarHBondContact OD1-N 3.44Å; N393-V396 HydrophobicContact CB-CG2 4.08Å; N393-V396 PolarHBondContact O-N 2.93Å
394	P	35.1	Very low	48.6	Very low	113 Å²	113	96.9 Å²	96.9	73%	0.734	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	12	179.8	31.6	-37	0	0	0	115
395	K	36.3	Very low	46.3	Very low	169 Å²	169	97.1 Å²	97.1	74%	0.735	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-22.7	175.1	-65.1	-177.1	177	178.6	0	114.4	N393	N393-K395 PolarHBondContact O-N 3.44Å; N393-K395 WeakPolarHBondContact OD1-CB 3.48Å; N393-K395 PolarHBondContact OD1-N 3.44Å
396	V	38.2	Very low	43.9	Very low	65 Å²	65	104.6 Å²	104.6	39%	0.394	56%	0.561	S	S	.	*	S	Bend	trans	-74.2	-28.6	-174	-178.6	0	0	0	0	112.1	N393 R398 V399	N393-V396 HydrophobicContact CB-CG2 4.08Å; N393-V396 PolarHBondContact O-N 2.93Å; V396-R398 PolarHBondContact O-N 2.95Å; V396-V399 PolarHBondContact O-N 3.19Å; V396-V399 VanDerWaalsContact O-N 3.16Å
397	Q	33.6	Very low	42	Very low	172 Å²	172	109.1 Å²	109.1	80%	0.804	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	20.3	-173.3	-142.1	169.2	18.1	0	0	115.6
398	R	34.6	Very low	40.4	Very low	228 Å²	228	113.9 Å²	113.9	86%	0.86	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.2	0.3	175.9	-55.8	-172.2	-165	179.1	4.1	114	V396	V396-R398 PolarHBondContact O-N 2.95Å
399	V	38.6	Very low	38.9	Very low	122 Å²	122	117.1 Å²	117.1	74%	0.739	63%	0.626	S	S	*	*	S	Bend	trans	-133.1	30.1	-171.3	-155.7	0	0	0	0	111.3	V396	V396-V399 PolarHBondContact O-N 3.19Å; V396-V399 VanDerWaalsContact O-N 3.16Å
400	L	31.4	Very low	37.1	Very low	102 Å²	102	122 Å²	122	53%	0.534	66%	0.657	S	S	.	*			trans	-105.6	127.4	170.7	-82.2	164.1	0	0	0	108.7	I384	I384-L400 HydrophobicContact CD1-CD2 4.36Å
401	D	34.4	Very low	35.7	Very low	128 Å²	128	124.7 Å²	124.7	68%	0.684	67%	0.67	S	S	*	*			trans	-66.6	150.2	-176.2	-78.3	-62.4	0	0	0	112.9	N403	D401-N403 PolarHBondContact O-N 3.42Å
402	P	35	Very low	34.9	Very low	97 Å²	97	127 Å²	127	63%	0.63	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-7	-173.8	-21	34.1	0	0	0	115.7
403	N	40.2	Very low	34.2	Very low	143 Å²	143	129.3 Å²	129.3	77%	0.765	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	-10.2	-158.7	-63.4	-6	0	0	0	114.7	D401 G405	D401-N403 PolarHBondContact O-N 3.42Å; N403-G405 VanDerWaalsContact C-N 3.29Å; N403-G405 PolarHBondContact O-N 3.01Å
404	I	39.6	Very low	34.2	Very low	149 Å²	149	128.2 Å²	128.2	76%	0.764	69%	0.691	S	S	*	*	S	Bend	trans	-97.3	33.2	-178.6	-39.1	-177.6	0	0	0	111
405	G	31.5	Very low	34.5	Very low	68 Å²	68	124.2 Å²	124.2	70%	0.701	67%	0.667	S	S	*	*			trans	-98.4	11.3	-169.5	0	0	0	0	0	116.3	N403	N403-G405 VanDerWaalsContact C-N 3.29Å; N403-G405 PolarHBondContact O-N 3.01Å
406	Q	30.6	Very low	35	Very low	190 Å²	190	125.6 Å²	125.6	89%	0.888	67%	0.669	S	S	*	*	S	Bend	trans	-133.6	76.5	-166.9	-63.2	-176.7	7	0	0	112.4
407	S	33.7	Very low	36.1	Very low	119 Å²	119	130.1 Å²	130.1	83%	0.832	68%	0.679	S	S	*	*	S	Bend	trans	-165.6	-40.2	166.7	-177.1	0	0	0	0	113.1
408	I	34.5	Very low	37.9	Very low	148 Å²	148	126.9 Å²	126.9	76%	0.759	67%	0.673	S	S	*	*	S	Bend	trans	-88	121.6	-168.6	-55.1	-179.7	0	0	0	111.7
409	N	30.9	Very low	40.1	Very low	106 Å²	106	117.7 Å²	117.7	57%	0.567	64%	0.639	S	S	*	*			trans	-65.8	127.5	-172.1	-160.9	-18.7	0	0	0	112.1	Q411	N409-Q411 VanDerWaalsContact C-N 3.26Å; N409-Q411 PolarHBondContact O-N 2.7Å
410	P	28.8	Very low	42.3	Very low	102 Å²	102	113.8 Å²	113.8	66%	0.662	62%	0.618	S	S	*	*			trans	-80.8	60.8	-171.5	33.8	-38.5	0	0	0	113.7
411	Q	28.2	Very low	44.7	Very low	141 Å²	141	116.3 Å²	116.3	66%	0.659	63%	0.63	S	S	*	*			trans	-121.2	129.2	172.2	-60.5	-164.6	15.1	0	0	111.5	N409	N409-Q411 VanDerWaalsContact C-N 3.26Å; N409-Q411 PolarHBondContact O-N 2.7Å
412	V	31.9	Very low	47.1	Very low	126 Å²	126	113 Å²	113	76%	0.764	62%	0.621	S	S	*	*			trans	56.7	89.7	173.9	-166.4	0	0	0	0	115.9	P414	V412-P414 WeakPolarHBondContact O-CD 3.4Å
413	F	32.5	Very low	49.6	Very low	143 Å²	143	109.5 Å²	109.5	63%	0.627	60%	0.596	S	S	*	*			trans	-74.4	109.2	158.1	-73.8	-88	0	0	0	109.9	A415 Y416	F413-A415 VanDerWaalsContact C-N 3.33Å; F413-A415 PolarHBondContact O-N 2.73Å; F413-Y416 PolarHBondContact O-N 2.69Å
414	P	37.6	Very low	51.9	Low	62 Å²	62	103.3 Å²	103.3	40%	0.403	56%	0.563	S	S	.	*	G	3₁₀ helix	trans	-69	-33.4	-173.4	-18.9	33.9	0	0	0	112.5	V412 Y416 R417	V412-P414 WeakPolarHBondContact O-CD 3.4Å; P414-Y416 PolarHBondContact O-N 3.05Å; P414-Y416 VanDerWaalsContact O-N 3.12Å; P414-R417 WeakPolarHBondContact O-CB 3.28Å; P414-R417 PolarHBondContact O-N 3.37Å; P414-R417 VanDerWaalsContact O-N 3.16Å
415	A	42.1	Very low	54.1	Low	28 Å²	28	101.2 Å²	101.2	23%	0.231	55%	0.553	C	S	.	*	G	3₁₀ helix	trans	-63	-17.3	-176.9	0	0	0	0	0	115	F413	F413-A415 VanDerWaalsContact C-N 3.33Å; F413-A415 PolarHBondContact O-N 2.73Å
416	Y	47.5	Very low	56.7	Low	199 Å²	199	102.3 Å²	102.3	78%	0.78	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-111.6	5.9	179	-78.1	-81	0	0	0	113.9	F413 P414	F413-Y416 PolarHBondContact O-N 2.69Å; P414-Y416 PolarHBondContact O-N 3.05Å; P414-Y416 VanDerWaalsContact O-N 3.12Å
417	R	61.1	Low	59.4	Low	159 Å²	159	93.2 Å²	93.2	60%	0.6	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-57.6	130.3	169.1	-170.5	-170.4	177	176.3	0.2	108.4	P414 R462	P414-R417 WeakPolarHBondContact O-CB 3.28Å; P414-R417 PolarHBondContact O-N 3.37Å; P414-R417 VanDerWaalsContact O-N 3.16Å; R417-R462 PolarHBondContact O-NH1 3.41Å
418	P	71.2	Confident	61.8	Low	105 Å²	105	90.3 Å²	90.3	68%	0.682	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-57.3	158	170.2	25.7	-34	0	0	0	110.2	R462	P418-R462 PolarHBondContact O-NH2 3.19Å
419	F	81.2	Confident	64.1	Low	34 Å²	34	86.7 Å²	86.7	15%	0.149	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-70.1	134.7	168.6	-78.9	-108	0	0	0	108.8	E423 D424 L427 R462 S466 R470	F419-E423 HydrophobicContact CD1-CB 3.91Å; F419-D424 VanDerWaalsContact CB-OD1 3.3Å; F419-D424 WeakPolarHBondContact CB-OD1 3.14Å; F419-L427 HydrophobicContact CE1-CD2 4.39Å; F419-R462 HydrophobicContact CE1-CG 4.2Å; F419-R462 HydrophobicContact CZ-CG 4.28Å; F419-S466 WeakPolarHBondContact CE2-OG 3.43Å; F419-R470 HydrophobicContact CB-CG 4.16Å; F419-R470 HydrophobicContact CD1-CB 4.28Å; F419-R470 HydrophobicContact CD1-CG 3.74Å; F419-R470 HydrophobicContact CD2-CB 3.91Å; F419-R470 HydrophobicContact CD2-CG 3.66Å; F419-R470 HydrophobicContact CE1-CB 4Å; F419-R470 HydrophobicContact CE1-CG 3.97Å; F419-R470 HydrophobicContact CE2-CB 3.61Å; F419-R470 HydrophobicContact CE2-CG 3.9Å; F419-R470 HydrophobicContact CG-CB 4.24Å; F419-R470 HydrophobicContact CG-CG 3.58Å; F419-R470 HydrophobicContact CZ-CB 3.66Å; F419-R470 HydrophobicContact CZ-CG 4.05Å
420	S	84.2	Confident	66.6	Low	41 Å²	41	81.8 Å²	81.8	29%	0.287	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-82	157	167.6	58.4	0	0	0	0	110.6	A422 E423 D424	S420-A422 PolarHBondContact O-N 2.94Å; S420-A422 VanDerWaalsContact O-N 3.14Å; S420-E423 WeakPolarHBondContact CB-OE2 3.18Å; S420-E423 PolarHBondContact N-OE2 3.18Å; S420-E423 PolarHBondContact O-N 3.22Å; S420-E423 VanDerWaalsContact OG-CG 3.32Å; S420-E423 WeakPolarHBondContact OG-CG 3.36Å; S420-E423 PolarHBondContact OG-N 3.38Å; S420-E423 PolarHBondContact OG-OE2 3.25Å; S420-D424 PolarHBondContact O-N 2.89Å
421	L	82.6	Confident	69.1	Low	154 Å²	154	77.4 Å²	77.4	81%	0.806	40%	0.398	S	S	*	.	H	α-helix	trans	-53.6	-33.6	175.3	-96.7	158.7	0	0	0	112.9	L425	L421-L425 WeakPolarHBondContact O-CB 3.38Å; L421-L425 PolarHBondContact O-N 3.05Å
422	A	84.3	Confident	71.4	Confident	59 Å²	59	78.5 Å²	78.5	49%	0.488	40%	0.404	S	S	.	.	H	α-helix	trans	-68.2	-40.7	174.3	0	0	0	0	0	112.7	S420 Q426	S420-A422 PolarHBondContact O-N 2.94Å; S420-A422 VanDerWaalsContact O-N 3.14Å; A422-Q426 WeakPolarHBondContact O-CB 2.78Å; A422-Q426 VanDerWaalsContact O-CG 3.24Å; A422-Q426 WeakPolarHBondContact O-CG 3.37Å; A422-Q426 PolarHBondContact O-N 3.24Å
423	E	87.7	Confident	73.4	Confident	24 Å²	24	81.1 Å²	81.1	11%	0.112	40%	0.4	C	S	.	.	H	α-helix	trans	-70.7	-34.4	175.1	-69.5	166.7	107.8	0	0	112.2	F419 S420 Q426 L427 L459 R462	F419-E423 HydrophobicContact CD1-CB 3.91Å; S420-E423 WeakPolarHBondContact CB-OE2 3.18Å; S420-E423 PolarHBondContact N-OE2 3.18Å; S420-E423 PolarHBondContact O-N 3.22Å; S420-E423 VanDerWaalsContact OG-CG 3.32Å; S420-E423 WeakPolarHBondContact OG-CG 3.36Å; S420-E423 PolarHBondContact OG-N 3.38Å; S420-E423 PolarHBondContact OG-OE2 3.25Å; E423-Q426 PolarHBondContact O-N 2.84Å; E423-L427 VanDerWaalsContact O-CB 3.24Å; E423-L427 WeakPolarHBondContact O-CB 3.47Å; E423-L427 PolarHBondContact O-N 3.3Å; E423-L459 HydrophobicContact CB-CD2 4.09Å; E423-L459 HydrophobicContact CG-CD2 4.34Å; E423-R462 IonicContact OE1-CZ 2.79Å; E423-R462 IonicContact OE1-NE 3.93Å; E423-R462 PolarHBondContact OE1-NE 3.11Å; E423-R462 IonicContact OE1-NH2 3.95Å; E423-R462 PolarHBondContact OE1-NH2 3.5Å; E423-R462 IonicContact OE2-NH2 2.68Å; E423-R462 PolarHBondContact OE2-NH2 2.9Å
424	D	88	Confident	75.3	Confident	12 Å²	12	77.8 Å²	77.8	6%	0.064	38%	0.383	C	S	.	.	H	α-helix	trans	-67.5	-41.6	173.9	-75.4	-29.7	0	0	0	111.3	F419 S420 L427 L428 R470 L474	F419-D424 VanDerWaalsContact CB-OD1 3.3Å; F419-D424 WeakPolarHBondContact CB-OD1 3.14Å; S420-D424 PolarHBondContact O-N 2.89Å; D424-L427 WeakPolarHBondContact O-CB 3.3Å; D424-L427 PolarHBondContact O-N 3.49Å; D424-L428 WeakPolarHBondContact O-CG 3.1Å; D424-L428 PolarHBondContact O-N 3.08Å; D424-R470 WeakPolarHBondContact OD1-CG 3.17Å; D424-R470 IonicContact OD1-CZ 2.7Å; D424-R470 IonicContact OD1-NE 3.26Å; D424-R470 PolarHBondContact OD1-NE 2.89Å; D424-R470 IonicContact OD1-NH2 2.69Å; D424-R470 IonicContact OD2-CZ 3.32Å; D424-R470 IonicContact OD2-NE 2.65Å; D424-R470 PolarHBondContact OD2-NE 2.69Å; D424-R470 IonicContact OD2-NH2 2.73Å; D424-R470 PolarHBondContact OD2-NH2 2.91Å; D424-L474 HydrophobicContact CB-CD1 4.06Å; D424-L474 HydrophobicContact CB-CD2 4.36Å
425	L	86	Confident	76.6	Confident	105 Å²	105	76.2 Å²	76.2	55%	0.55	38%	0.378	S	S	.	.	H	α-helix	trans	-63.1	-46.4	172.5	-178.6	61.8	0	0	0	111.3	L421 L427 L428 M429	L421-L425 WeakPolarHBondContact O-CB 3.38Å; L421-L425 PolarHBondContact O-N 3.05Å; L425-L427 VanDerWaalsContact C-N 3.3Å; L425-L427 PolarHBondContact O-N 3.2Å; L425-L428 PolarHBondContact O-N 3.01Å; L425-M429 HydrophobicContact CD1-CG 4.34Å; L425-M429 HydrophobicContact CD1-SD 4.3Å; L425-M429 HydrophobicContact CG-CG 4.48Å; L425-M429 HydrophobicContact CG-SD 3.99Å; L425-M429 WeakPolarHBondContact O-CB 3.28Å; L425-M429 VanDerWaalsContact O-CG 3.26Å; L425-M429 WeakPolarHBondContact O-CG 2.98Å; L425-M429 PolarHBondContact O-N 3.49Å
426	Q	86.1	Confident	77.4	Confident	91 Å²	91	79.6 Å²	79.6	43%	0.425	39%	0.392	S	S	.	.	H	α-helix	trans	-60.4	-38	174.5	-76.8	172.8	-4.2	0	0	112.2	A422 E423 A430 L459	A422-Q426 WeakPolarHBondContact O-CB 2.78Å; A422-Q426 VanDerWaalsContact O-CG 3.24Å; A422-Q426 WeakPolarHBondContact O-CG 3.37Å; A422-Q426 PolarHBondContact O-N 3.24Å; E423-Q426 PolarHBondContact O-N 2.84Å; Q426-A430 WeakPolarHBondContact O-CB 3.46Å; Q426-A430 PolarHBondContact O-N 3.25Å; Q426-L459 HydrophobicContact CB-CD2 3.78Å
427	L	86.9	Confident	77.5	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-62.3	-48.1	175.1	179.5	56.8	0	0	0	111.6	F419 E423 D424 L425 A430 V431 W452 V455 L459 C467 R470 L474	F419-L427 HydrophobicContact CE1-CD2 4.39Å; E423-L427 VanDerWaalsContact O-CB 3.24Å; E423-L427 WeakPolarHBondContact O-CB 3.47Å; E423-L427 PolarHBondContact O-N 3.3Å; D424-L427 WeakPolarHBondContact O-CB 3.3Å; D424-L427 PolarHBondContact O-N 3.49Å; L425-L427 VanDerWaalsContact C-N 3.3Å; L425-L427 PolarHBondContact O-N 3.2Å; L427-A430 PolarHBondContact O-N 3.26Å; L427-V431 HydrophobicContact CD1-CG2 4.34Å; L427-V431 WeakPolarHBondContact O-CB 3.13Å; L427-V431 VanDerWaalsContact O-CG2 3.32Å; L427-V431 WeakPolarHBondContact O-CG2 3.27Å; L427-V431 PolarHBondContact O-N 3.12Å; L427-W452 HydrophobicContact CD1-CZ3 4.43Å; L427-V455 HydrophobicContact CD1-CG1 3.86Å; L427-L459 HydrophobicContact CB-CD1 3.81Å; L427-L459 HydrophobicContact CD1-CD1 3.73Å; L427-L459 HydrophobicContact CG-CD1 4.31Å; L427-C467 HydrophobicContact CD1-CB 3.76Å; L427-R470 HydrophobicContact CD2-CB 3.79Å; L427-R470 HydrophobicContact CD2-CG 3.79Å; L427-L474 HydrophobicContact CD2-CD1 4.16Å
428	L	83.7	Confident	76.5	Confident	58 Å²	58	67.5 Å²	67.5	30%	0.304	38%	0.375	S	S	.	.	H	α-helix	trans	-64.9	-44.4	178	-67.3	169	0	0	0	111.2	D424 L425 A430 V431 Q432 Y471 L474 F478	D424-L428 WeakPolarHBondContact O-CG 3.1Å; D424-L428 PolarHBondContact O-N 3.08Å; L425-L428 PolarHBondContact O-N 3.01Å; L428-A430 VanDerWaalsContact C-N 3.34Å; L428-A430 PolarHBondContact O-N 3.24Å; L428-V431 PolarHBondContact O-N 2.98Å; L428-Q432 WeakPolarHBondContact O-CB 3.2Å; L428-Q432 PolarHBondContact O-N 3.13Å; L428-Y471 HydrophobicContact CD2-CD2 4.17Å; L428-Y471 HydrophobicContact CD2-CE2 4.11Å; L428-L474 HydrophobicContact CD1-CD1 4.42Å; L428-L474 HydrophobicContact CD2-CD1 4.34Å; L428-L474 HydrophobicContact CG-CD1 4.25Å; L428-F478 HydrophobicContact CD1-CE2 4.24Å
429	M	83.5	Confident	74.8	Confident	72 Å²	72	65 Å²	65	36%	0.355	37%	0.368	S	S	.	.	H	α-helix	trans	-62.2	-37.9	174.5	-70	176.4	77.7	0	0	112.5	L425 Q432 R433	L425-M429 HydrophobicContact CD1-CG 4.34Å; L425-M429 HydrophobicContact CD1-SD 4.3Å; L425-M429 HydrophobicContact CG-CG 4.48Å; L425-M429 HydrophobicContact CG-SD 3.99Å; L425-M429 WeakPolarHBondContact O-CB 3.28Å; L425-M429 VanDerWaalsContact O-CG 3.26Å; L425-M429 WeakPolarHBondContact O-CG 2.98Å; L425-M429 PolarHBondContact O-N 3.49Å; M429-Q432 PolarHBondContact O-N 2.79Å; M429-R433 WeakPolarHBondContact O-CB 3.43Å; M429-R433 WeakPolarHBondContact O-CG 3.32Å; M429-R433 PolarHBondContact O-N 3.43Å
430	A	83.5	Confident	72.6	Confident	2 Å²	2	75.1 Å²	75.1	2%	0.017	41%	0.405	C	S	.	.	H	α-helix	trans	-69.6	-40.7	176.9	0	0	0	0	0	111.9	Q426 L427 L428 Q432 R433 Y434 V455 A458	Q426-A430 WeakPolarHBondContact O-CB 3.46Å; Q426-A430 PolarHBondContact O-N 3.25Å; L427-A430 PolarHBondContact O-N 3.26Å; L428-A430 VanDerWaalsContact C-N 3.34Å; L428-A430 PolarHBondContact O-N 3.24Å; A430-Q432 VanDerWaalsContact C-N 3.32Å; A430-R433 PolarHBondContact O-N 2.69Å; A430-Y434 HydrophobicContact CB-CD2 4.32Å; A430-Y434 HydrophobicContact CB-CE2 4.45Å; A430-Y434 WeakPolarHBondContact O-CB 3.47Å; A430-Y434 VanDerWaalsContact O-CD2 3.24Å; A430-Y434 WeakPolarHBondContact O-CD2 3.31Å; A430-Y434 PolarHBondContact O-N 2.86Å; A430-V455 HydrophobicContact CB-CG1 4.02Å; A430-A458 HydrophobicContact CB-CB 3.64Å
431	V	80.8	Confident	70.3	Confident	10 Å²	10	78.3 Å²	78.3	6%	0.061	42%	0.423	C	S	.	.	H	α-helix	trans	-66.2	-34.3	172.8	171.9	0	0	0	0	111.5	L427 L428 G435 I436 W452 V455 Y471	L427-V431 HydrophobicContact CD1-CG2 4.34Å; L427-V431 WeakPolarHBondContact O-CB 3.13Å; L427-V431 VanDerWaalsContact O-CG2 3.32Å; L427-V431 WeakPolarHBondContact O-CG2 3.27Å; L427-V431 PolarHBondContact O-N 3.12Å; L428-V431 PolarHBondContact O-N 2.98Å; V431-G435 CarbonylContact O-C 3.59Å; V431-G435 WeakPolarHBondContact O-CA 3.39Å; V431-G435 PolarHBondContact O-N 3.2Å; V431-I436 HydrophobicContact CG1-CD1 4.32Å; V431-I436 HydrophobicContact CG1-CG1 3.45Å; V431-I436 VanDerWaalsContact CG1-CG1 3.45Å; V431-W452 HydrophobicContact CG2-CH2 4.2Å; V431-W452 HydrophobicContact CG2-CZ3 4.14Å; V431-V455 HydrophobicContact CG2-CG1 3.89Å; V431-V455 HydrophobicContact CG2-CG2 4.25Å; V431-Y471 HydrophobicContact CB-CE2 4.34Å; V431-Y471 HydrophobicContact CG1-CD2 4.37Å; V431-Y471 HydrophobicContact CG1-CE2 3.82Å; V431-Y471 HydrophobicContact CG2-CD2 4.06Å; V431-Y471 HydrophobicContact CG2-CE2 4.34Å
432	Q	78	Confident	68	Low	165 Å²	165	72.2 Å²	72.2	77%	0.771	40%	0.397	S	S	*	.	H	α-helix	trans	-69.9	-41.5	173.6	-171.4	-179	7.5	0	0	112.3	L428 M429 A430	L428-Q432 WeakPolarHBondContact O-CB 3.2Å; L428-Q432 PolarHBondContact O-N 3.13Å; M429-Q432 PolarHBondContact O-N 2.79Å; A430-Q432 VanDerWaalsContact C-N 3.32Å
433	R	73.4	Confident	65.9	Low	181 Å²	181	77 Å²	77	68%	0.683	41%	0.409	S	S	*	.	H	α-helix	trans	-71.6	-41.5	179.5	-76.2	171.8	178.2	-169.3	-0.3	113.4	M429 A430	M429-R433 WeakPolarHBondContact O-CB 3.43Å; M429-R433 WeakPolarHBondContact O-CG 3.32Å; M429-R433 PolarHBondContact O-N 3.43Å; A430-R433 PolarHBondContact O-N 2.69Å
434	Y	73.2	Confident	63.6	Low	72 Å²	72	77.1 Å²	77.1	28%	0.282	42%	0.416	S	S	.	.	H	α-helix	trans	-103.5	-7.8	-174.4	-55.7	-53.5	0	0	0	113.8	A430 I449 G450 L454	A430-Y434 HydrophobicContact CB-CD2 4.32Å; A430-Y434 HydrophobicContact CB-CE2 4.45Å; A430-Y434 WeakPolarHBondContact O-CB 3.47Å; A430-Y434 VanDerWaalsContact O-CD2 3.24Å; A430-Y434 WeakPolarHBondContact O-CD2 3.31Å; A430-Y434 PolarHBondContact O-N 2.86Å; Y434-I449 WeakPolarHBondContact O-CG2 3.26Å; Y434-G450 VanDerWaalsContact O-CA 3.28Å; Y434-G450 WeakPolarHBondContact O-CA 3.49Å; Y434-G450 PolarHBondContact O-N 2.92Å; Y434-L454 HydrophobicContact CD1-CD2 3.6Å; Y434-L454 HydrophobicContact CD2-CD2 4.07Å; Y434-L454 HydrophobicContact CE1-CD2 3.62Å; Y434-L454 HydrophobicContact CE2-CD2 4.09Å; Y434-L454 HydrophobicContact CG-CD2 3.82Å
435	G	63	Low	61.1	Low	29 Å²	29	80.1 Å²	80.1	30%	0.299	45%	0.45	S	S	.	.			trans	78.8	167.3	-176.7	0	0	0	0	0	114.2	V431	V431-G435 CarbonylContact O-C 3.59Å; V431-G435 WeakPolarHBondContact O-CA 3.39Å; V431-G435 PolarHBondContact O-N 3.2Å
436	I	59.3	Low	58.9	Low	99 Å²	99	77.4 Å²	77.4	51%	0.508	45%	0.447	S	S	.	.			trans	-89	145	172.7	-55.2	162.2	0	0	0	109.1	V431 G438 Y471	V431-I436 HydrophobicContact CG1-CD1 4.32Å; V431-I436 HydrophobicContact CG1-CG1 3.45Å; V431-I436 VanDerWaalsContact CG1-CG1 3.45Å; I436-G438 VanDerWaalsContact C-N 3.26Å; I436-G438 PolarHBondContact O-N 3.23Å; I436-Y471 VanDerWaalsContact CD1-OH 3.25Å; I436-Y471 WeakPolarHBondContact CD1-OH 3.33Å
437	A	49.8	Very low	56.9	Low	23 Å²	23	81 Å²	81	19%	0.19	47%	0.468	C	S	.	.			trans	-65.3	67.1	178.2	0	0	0	0	0	114.9	G439 G450	A437-G439 PolarHBondContact O-N 2.65Å; A437-G450 VanDerWaalsContact CA-O 3.28Å; A437-G450 WeakPolarHBondContact CA-O 3.44Å; A437-G450 WeakPolarHBondContact CB-O 3.45Å; A437-G450 PolarHBondContact N-O 3.04Å
438	G	39.8	Very low	55	Low	81 Å²	81	82.6 Å²	82.6	84%	0.835	48%	0.484	S	S	*	.			trans	-69.9	10.4	177.7	0	0	0	0	0	116	I436	I436-G438 VanDerWaalsContact C-N 3.26Å; I436-G438 PolarHBondContact O-N 3.23Å
439	G	36.6	Very low	53.4	Low	52 Å²	52	87.5 Å²	87.5	54%	0.536	51%	0.508	S	S	.	.	S	Bend	trans	-69.3	144	179.6	0	0	0	0	0	113	A437 V441 G442	A437-G439 PolarHBondContact O-N 2.65Å; G439-V441 PolarHBondContact O-N 3.28Å; G439-G442 PolarHBondContact O-N 3.4Å
440	R	34.6	Very low	52.1	Low	248 Å²	248	84.4 Å²	84.4	94%	0.936	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.1	-5	-169.6	-73.7	-173.2	174.9	-173.1	-1.4	119.3
441	V	36	Very low	51.1	Low	108 Å²	108	84.7 Å²	84.7	66%	0.655	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.1	-0.6	-177.5	-83.6	0	0	0	0	114.5	G439 H443	G439-V441 PolarHBondContact O-N 3.28Å; V441-H443 PolarHBondContact O-N 3Å
442	G	34.5	Very low	50.7	Low	25 Å²	25	85.2 Å²	85.2	26%	0.258	50%	0.498	S	S	.	.	S	Bend	trans	62.3	8.5	173.7	0	0	0	0	0	116.3	G439 R468	G439-G442 PolarHBondContact O-N 3.4Å; G442-R468 PolarHBondContact O-NH1 2.91Å
443	H	39	Very low	50.1	Low	161 Å²	161	78.5 Å²	78.5	75%	0.745	47%	0.47	S	S	*	.			trans	-110	80	175	-73.2	-48.5	0	0	0	109.8	V441 G445	V441-H443 PolarHBondContact O-N 3Å; H443-G445 PolarHBondContact O-N 3.02Å
444	G	39.4	Very low	49.8	Very low	26 Å²	26	72.2 Å²	72.2	27%	0.268	45%	0.45	S	S	.	.			trans	-71.7	71	175.3	0	0	0	0	0	112.6	S451	G444-S451 PolarHBondContact O-OG 2.72Å
445	G	36.2	Very low	49.9	Very low	75 Å²	75	68.9 Å²	68.9	77%	0.773	44%	0.438	S	S	*	.			trans	-105.6	7.7	171.6	0	0	0	0	0	113.8	H443	H443-G445 PolarHBondContact O-N 3.02Å
446	G	39.9	Very low	50.5	Low	48 Å²	48	67.7 Å²	67.7	50%	0.495	42%	0.424	S	S	.	.	S	Bend	trans	-91.8	162	173.7	0	0	0	0	0	112.3	S451	G446-S451 WeakPolarHBondContact O-CB 3.33Å; G446-S451 PolarHBondContact O-OG 3.16Å
447	I	44.8	Very low	51.2	Low	167 Å²	167	66.7 Å²	66.7	86%	0.856	42%	0.423	S	S	*	.	S	Bend	trans	-82.1	116	170.3	-60	168.9	0	0	0	107.5
448	G	46	Very low	52.5	Low	32 Å²	32	67.1 Å²	67.1	33%	0.33	43%	0.427	S	S	.	.	S	Bend	trans	166.2	164.2	-179.2	0	0	0	0	0	113.4	S451 L454	G448-S451 WeakPolarHBondContact O-CB 3.38Å; G448-S451 PolarHBondContact O-N 3.15Å; G448-S451 VanDerWaalsContact O-N 3.08Å; G448-L454 WeakPolarHBondContact O-CD1 3.45Å
449	I	51.1	Low	54.5	Low	161 Å²	161	63.4 Å²	63.4	83%	0.826	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	136.7	176	-58.2	175.3	0	0	0	109	Y434	Y434-I449 WeakPolarHBondContact O-CG2 3.26Å
450	G	54.6	Low	56	Low	7 Å²	7	66.4 Å²	66.4	7%	0.072	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	-9	-172.5	0	0	0	0	0	115.4	Y434 A437	Y434-G450 VanDerWaalsContact O-CA 3.28Å; Y434-G450 WeakPolarHBondContact O-CA 3.49Å; Y434-G450 PolarHBondContact O-N 2.92Å; A437-G450 VanDerWaalsContact CA-O 3.28Å; A437-G450 WeakPolarHBondContact CA-O 3.44Å; A437-G450 WeakPolarHBondContact CB-O 3.45Å; A437-G450 PolarHBondContact N-O 3.04Å
451	S	63.6	Low	57.6	Low	9 Å²	9	57.8 Å²	57.8	6%	0.063	39%	0.386	C	S	.	.			trans	-72.3	135.5	-175.4	-173.8	0	0	0	0	113.3	G444 G446 G448 A453 L454 V455	G444-S451 PolarHBondContact O-OG 2.72Å; G446-S451 WeakPolarHBondContact O-CB 3.33Å; G446-S451 PolarHBondContact O-OG 3.16Å; G448-S451 WeakPolarHBondContact O-CB 3.38Å; G448-S451 PolarHBondContact O-N 3.15Å; G448-S451 VanDerWaalsContact O-N 3.08Å; S451-A453 PolarHBondContact O-N 2.73Å; S451-A453 PolarHBondContact OG-N 3.01Å; S451-L454 WeakPolarHBondContact O-CA 3.38Å; S451-L454 WeakPolarHBondContact O-CB 3.42Å; S451-L454 PolarHBondContact O-N 3.26Å; S451-V455 PolarHBondContact O-N 2.99Å
452	W	71.8	Confident	59.5	Low	21 Å²	21	53.4 Å²	53.4	8%	0.08	36%	0.357	C	S	.	.	H	α-helix	trans	-63.7	-25	176.4	-74.9	103.8	0	0	0	113.1	L427 V431 L454 V455 T456 A464 C467 R468 Y471	L427-W452 HydrophobicContact CD1-CZ3 4.43Å; V431-W452 HydrophobicContact CG2-CH2 4.2Å; V431-W452 HydrophobicContact CG2-CZ3 4.14Å; W452-L454 VanDerWaalsContact C-N 3.27Å; W452-V455 HydrophobicContact CE3-CB 4.19Å; W452-V455 HydrophobicContact CE3-CG1 4.13Å; W452-V455 HydrophobicContact CE3-CG2 4.44Å; W452-V455 HydrophobicContact CZ3-CG1 4.08Å; W452-T456 PolarHBondContact O-N 2.82Å; W452-T456 VanDerWaalsContact O-N 3.15Å; W452-T456 PolarHBondContact O-OG1 3.39Å; W452-T456 VanDerWaalsContact O-OG1 3.08Å; W452-A464 HydrophobicContact CB-CB 4Å; W452-C467 HydrophobicContact CE3-CB 4.31Å; W452-C467 HydrophobicContact CZ3-CB 4.41Å; W452-R468 HydrophobicContact CD2-CB 3.77Å; W452-R468 HydrophobicContact CD2-CG 4.32Å; W452-R468 HydrophobicContact CE3-CB 3.97Å; W452-R468 HydrophobicContact CG-CB 4.31Å; W452-R468 HydrophobicContact CH2-CB 4.34Å; W452-R468 HydrophobicContact CZ2-CB 4.12Å; W452-R468 HydrophobicContact CZ2-CG 4.03Å; W452-R468 HydrophobicContact CZ3-CB 4.25Å; W452-Y471 AromaticContact CH2-CD1 3.68Å; W452-Y471 HydrophobicContact CH2-CD1 3.68Å; W452-Y471 AromaticContact CH2-CG 3.75Å; W452-Y471 HydrophobicContact CH2-CG 3.75Å; W452-Y471 HydrophobicContact CZ2-CD1 4.16Å
453	A	65.5	Low	61.2	Low	23 Å²	23	53.7 Å²	53.7	19%	0.19	36%	0.356	C	S	.	.	H	α-helix	trans	-68.7	-27.2	172	0	0	0	0	0	112.6	L360 S451 T456	L360-A453 HydrophobicContact CD1-CB 4.4Å; S451-A453 PolarHBondContact O-N 2.73Å; S451-A453 PolarHBondContact OG-N 3.01Å; A453-T456 VanDerWaalsContact CA-OG1 3.31Å; A453-T456 WeakPolarHBondContact CA-OG1 3.38Å; A453-T456 PolarHBondContact O-OG1 2.91Å
454	L	67.4	Low	62.7	Low	50 Å²	50	47.7 Å²	47.7	26%	0.262	33%	0.334	S	S	.	.	H	α-helix	trans	-84.2	-39.4	177	-136.1	161.1	0	0	0	110.4	Y434 G448 S451 W452 T456 T457	Y434-L454 HydrophobicContact CD1-CD2 3.6Å; Y434-L454 HydrophobicContact CD2-CD2 4.07Å; Y434-L454 HydrophobicContact CE1-CD2 3.62Å; Y434-L454 HydrophobicContact CE2-CD2 4.09Å; Y434-L454 HydrophobicContact CG-CD2 3.82Å; G448-L454 WeakPolarHBondContact O-CD1 3.45Å; S451-L454 WeakPolarHBondContact O-CA 3.38Å; S451-L454 WeakPolarHBondContact O-CB 3.42Å; S451-L454 PolarHBondContact O-N 3.26Å; W452-L454 VanDerWaalsContact C-N 3.27Å; L454-T456 PolarHBondContact O-N 2.82Å; L454-T457 PolarHBondContact O-N 3.48Å; L454-T457 VanDerWaalsContact O-N 3.09Å; L454-T457 PolarHBondContact O-OG1 3.34Å
455	V	74.2	Confident	63.9	Low	2 Å²	2	50 Å²	50	1%	0.012	35%	0.345	C	S	.	.	H	α-helix	trans	-57.4	-33.5	169.5	176.6	0	0	0	0	111.9	L427 A430 V431 S451 W452 T457	L427-V455 HydrophobicContact CD1-CG1 3.86Å; A430-V455 HydrophobicContact CB-CG1 4.02Å; V431-V455 HydrophobicContact CG2-CG1 3.89Å; V431-V455 HydrophobicContact CG2-CG2 4.25Å; S451-V455 PolarHBondContact O-N 2.99Å; W452-V455 HydrophobicContact CE3-CB 4.19Å; W452-V455 HydrophobicContact CE3-CG1 4.13Å; W452-V455 HydrophobicContact CE3-CG2 4.44Å; W452-V455 HydrophobicContact CZ3-CG1 4.08Å; V455-T457 VanDerWaalsContact C-N 3.35Å; V455-T457 PolarHBondContact O-N 2.76Å
456	T	76.7	Confident	65.9	Low	4 Å²	4	47.7 Å²	47.7	3%	0.025	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-71.6	-14.7	175.6	35.1	0	0	0	0	116.3	W452 A453 L454 A458 L459 R462 S463 A464 C467	W452-T456 PolarHBondContact O-N 2.82Å; W452-T456 VanDerWaalsContact O-N 3.15Å; W452-T456 PolarHBondContact O-OG1 3.39Å; W452-T456 VanDerWaalsContact O-OG1 3.08Å; A453-T456 VanDerWaalsContact CA-OG1 3.31Å; A453-T456 WeakPolarHBondContact CA-OG1 3.38Å; A453-T456 PolarHBondContact O-OG1 2.91Å; L454-T456 PolarHBondContact O-N 2.82Å; T456-A458 PolarHBondContact O-N 3.41Å; T456-L459 CarbonylContact O-C 3.56Å; T456-L459 PolarHBondContact O-N 3.43Å; T456-L459 VanDerWaalsContact O-N 3.08Å; T456-R462 WeakPolarHBondContact CG2-O 3.06Å; T456-S463 VanDerWaalsContact CG2-C 3.47Å; T456-A464 HydrophobicContact CG2-CB 4.25Å; T456-C467 HydrophobicContact CG2-CB 4.28Å
457	T	74.3	Confident	67.9	Low	77 Å²	77	45.4 Å²	45.4	47%	0.472	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-69.9	-22.9	177.3	63.9	0	0	0	0	111.9	L454 V455 L459	L454-T457 PolarHBondContact O-N 3.48Å; L454-T457 VanDerWaalsContact O-N 3.09Å; L454-T457 PolarHBondContact O-OG1 3.34Å; V455-T457 VanDerWaalsContact C-N 3.35Å; V455-T457 PolarHBondContact O-N 2.76Å; T457-L459 VanDerWaalsContact C-N 3.31Å
458	A	77.5	Confident	69.4	Low	33 Å²	33	40 Å²	40	27%	0.273	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-81.5	-4	171.5	0	0	0	0	0	114.1	A430 T456	A430-A458 HydrophobicContact CB-CB 3.64Å; T456-A458 PolarHBondContact O-N 3.41Å
459	L	80	Confident	70.8	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.016	27%	0.274	C	S	.	.	S	Bend	trans	-136	69.7	-174.9	-72.5	168.5	0	0	0	110.9	E423 Q426 L427 T456 T457 G461 R462 C467	E423-L459 HydrophobicContact CB-CD2 4.09Å; E423-L459 HydrophobicContact CG-CD2 4.34Å; Q426-L459 HydrophobicContact CB-CD2 3.78Å; L427-L459 HydrophobicContact CB-CD1 3.81Å; L427-L459 HydrophobicContact CD1-CD1 3.73Å; L427-L459 HydrophobicContact CG-CD1 4.31Å; T456-L459 CarbonylContact O-C 3.56Å; T456-L459 PolarHBondContact O-N 3.43Å; T456-L459 VanDerWaalsContact O-N 3.08Å; T457-L459 VanDerWaalsContact C-N 3.31Å; L459-G461 PolarHBondContact O-N 3.36Å; L459-R462 HydrophobicContact CB-CB 4.1Å; L459-R462 HydrophobicContact CB-CG 4.2Å; L459-R462 PolarHBondContact O-N 3.45Å; L459-R462 VanDerWaalsContact O-N 3.09Å; L459-C467 HydrophobicContact CD1-CB 4.49Å; L459-C467 VanDerWaalsContact CD1-SG 3.56Å
460	P	69.3	Low	72.3	Confident	115 Å²	115	38.8 Å²	38.8	75%	0.747	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	137.6	179.8	23.3	-33.7	0	0	0	111.7	R462	P460-R462 VanDerWaalsContact C-N 3.29Å; P460-R462 PolarHBondContact O-N 3.08Å
461	G	68.7	Low	73.7	Confident	66 Å²	66	40.4 Å²	40.4	68%	0.68	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.4	-10.9	-175.6	0	0	0	0	0	115.8	L459	L459-G461 PolarHBondContact O-N 3.36Å
462	R	74.8	Confident	74.1	Confident	17 Å²	17	42 Å²	42	6%	0.064	25%	0.253	C	S	.	.			trans	-94.7	144.7	172.6	-57	-62.2	-174.6	163.7	1.9	111.1	R417 P418 F419 E423 T456 L459 P460 C467	R417-R462 PolarHBondContact O-NH1 3.41Å; P418-R462 PolarHBondContact O-NH2 3.19Å; F419-R462 HydrophobicContact CE1-CG 4.2Å; F419-R462 HydrophobicContact CZ-CG 4.28Å; E423-R462 IonicContact OE1-CZ 2.79Å; E423-R462 IonicContact OE1-NE 3.93Å; E423-R462 PolarHBondContact OE1-NE 3.11Å; E423-R462 IonicContact OE1-NH2 3.95Å; E423-R462 PolarHBondContact OE1-NH2 3.5Å; E423-R462 IonicContact OE2-NH2 2.68Å; E423-R462 PolarHBondContact OE2-NH2 2.9Å; T456-R462 WeakPolarHBondContact CG2-O 3.06Å; L459-R462 HydrophobicContact CB-CB 4.1Å; L459-R462 HydrophobicContact CB-CG 4.2Å; L459-R462 PolarHBondContact O-N 3.45Å; L459-R462 VanDerWaalsContact O-N 3.09Å; P460-R462 VanDerWaalsContact C-N 3.29Å; P460-R462 PolarHBondContact O-N 3.08Å; R462-C467 VanDerWaalsContact CB-SG 3.57Å
463	S	70.3	Confident	74.3	Confident	31 Å²	31	43.8 Å²	43.8	22%	0.217	26%	0.262	C	S	.	.			trans	-91.1	155.1	177.5	70.6	0	0	0	0	112.2	T456 S465 S466 C467	T456-S463 VanDerWaalsContact CG2-C 3.47Å; S463-S465 PolarHBondContact O-N 3.44Å; S463-S465 VanDerWaalsContact O-N 3.15Å; S463-S465 PolarHBondContact OG-OG 3.49Å; S463-S466 WeakPolarHBondContact O-CA 3.42Å; S463-S466 WeakPolarHBondContact O-CB 3.47Å; S463-S466 PolarHBondContact O-N 3.49Å; S463-S466 VanDerWaalsContact OG-CB 3.31Å; S463-S466 WeakPolarHBondContact OG-CB 3.48Å; S463-S466 PolarHBondContact OG-N 3.25Å; S463-S466 VanDerWaalsContact OG-N 3.14Å; S463-C467 PolarHBondContact O-N 2.9Å
464	A	71.2	Confident	75	Confident	35 Å²	35	43.1 Å²	43.1	29%	0.289	26%	0.256	S	S	.	.	H	α-helix	trans	-59.5	-29.9	178.9	0	0	0	0	0	112.7	W452 T456 R468	W452-A464 HydrophobicContact CB-CB 4Å; T456-A464 HydrophobicContact CG2-CB 4.25Å; A464-R468 VanDerWaalsContact O-CB 3.27Å; A464-R468 WeakPolarHBondContact O-CB 3.24Å; A464-R468 PolarHBondContact O-N 3.46Å
465	S	65.2	Low	75.2	Confident	73 Å²	73	43 Å²	43	51%	0.51	26%	0.258	S	S	.	.	H	α-helix	trans	-71	-37.2	171.1	49.6	0	0	0	0	113.2	S463 K469	S463-S465 PolarHBondContact O-N 3.44Å; S463-S465 VanDerWaalsContact O-N 3.15Å; S463-S465 PolarHBondContact OG-OG 3.49Å; S465-K469 WeakPolarHBondContact O-CB 3.27Å; S465-K469 PolarHBondContact O-N 2.91Å
466	S	77.7	Confident	74.9	Confident	27 Å²	27	46.4 Å²	46.4	19%	0.189	27%	0.274	C	S	.	.	H	α-helix	trans	-70.3	-49.5	178.4	-168.6	0	0	0	0	111.2	F419 S463 R468 K469 R470	F419-S466 WeakPolarHBondContact CE2-OG 3.43Å; S463-S466 WeakPolarHBondContact O-CA 3.42Å; S463-S466 WeakPolarHBondContact O-CB 3.47Å; S463-S466 PolarHBondContact O-N 3.49Å; S463-S466 VanDerWaalsContact OG-CB 3.31Å; S463-S466 WeakPolarHBondContact OG-CB 3.48Å; S463-S466 PolarHBondContact OG-N 3.25Å; S463-S466 VanDerWaalsContact OG-N 3.14Å; S466-R468 VanDerWaalsContact C-N 3.34Å; S466-R468 PolarHBondContact O-N 3.24Å; S466-K469 PolarHBondContact O-N 3.09Å; S466-K469 VanDerWaalsContact O-N 3.1Å; S466-R470 PolarHBondContact O-N 3.14Å
467	C	81.6	Confident	74.7	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-59.6	-42.4	176	-62	0	0	0	0	112.1	L427 W452 T456 L459 R462 S463 K469 R470 Y471	L427-C467 HydrophobicContact CD1-CB 3.76Å; W452-C467 HydrophobicContact CE3-CB 4.31Å; W452-C467 HydrophobicContact CZ3-CB 4.41Å; T456-C467 HydrophobicContact CG2-CB 4.28Å; L459-C467 HydrophobicContact CD1-CB 4.49Å; L459-C467 VanDerWaalsContact CD1-SG 3.56Å; R462-C467 VanDerWaalsContact CB-SG 3.57Å; S463-C467 PolarHBondContact O-N 2.9Å; C467-K469 PolarHBondContact O-N 3.05Å; C467-R470 PolarHBondContact O-N 2.9Å; C467-Y471 WeakPolarHBondContact O-CB 3.48Å; C467-Y471 PolarHBondContact O-N 3.41Å
468	R	76.1	Confident	74.4	Confident	54 Å²	54	55.5 Å²	55.5	20%	0.204	31%	0.309	C	S	.	.	H	α-helix	trans	-60.1	-44.4	172.9	177.5	-179.2	174.8	142.3	0.1	112.5	G442 W452 A464 S466 L472 H527	G442-R468 PolarHBondContact O-NH1 2.91Å; W452-R468 HydrophobicContact CD2-CB 3.77Å; W452-R468 HydrophobicContact CD2-CG 4.32Å; W452-R468 HydrophobicContact CE3-CB 3.97Å; W452-R468 HydrophobicContact CG-CB 4.31Å; W452-R468 HydrophobicContact CH2-CB 4.34Å; W452-R468 HydrophobicContact CZ2-CB 4.12Å; W452-R468 HydrophobicContact CZ2-CG 4.03Å; W452-R468 HydrophobicContact CZ3-CB 4.25Å; A464-R468 VanDerWaalsContact O-CB 3.27Å; A464-R468 WeakPolarHBondContact O-CB 3.24Å; A464-R468 PolarHBondContact O-N 3.46Å; S466-R468 VanDerWaalsContact C-N 3.34Å; S466-R468 PolarHBondContact O-N 3.24Å; R468-L472 HydrophobicContact CG-CD1 4.2Å; R468-L472 WeakPolarHBondContact O-CG 3.44Å; R468-L472 PolarHBondContact O-N 2.95Å; R468-H527 PolarHBondContact NH2-CD2 2.69Å; R468-H527 VanDerWaalsContact NH2-CD2 3.28Å; R468-H527 PolarHBondContact NH2-CE1 3.22Å; R468-H527 PolarHBondContact NH2-NE2 2.82Å
469	K	75.4	Confident	74.1	Confident	130 Å²	130	58.2 Å²	58.2	57%	0.565	32%	0.316	S	S	*	.	H	α-helix	trans	-65.2	-47.6	-179.8	-176.2	174	-179.5	-76.6	0	110.6	S465 S466 C467 Y471 L472 E473	S465-K469 WeakPolarHBondContact O-CB 3.27Å; S465-K469 PolarHBondContact O-N 2.91Å; S466-K469 PolarHBondContact O-N 3.09Å; S466-K469 VanDerWaalsContact O-N 3.1Å; C467-K469 PolarHBondContact O-N 3.05Å; K469-Y471 PolarHBondContact O-N 2.92Å; K469-L472 PolarHBondContact O-N 3.31Å; K469-E473 IonicContact NZ-OE1 2.71Å; K469-E473 PolarHBondContact NZ-OE1 2.79Å; K469-E473 WeakPolarHBondContact O-CG 3.48Å; K469-E473 PolarHBondContact O-N 3.43Å
470	R	83.7	Confident	73.7	Confident	38 Å²	38	62.6 Å²	62.6	14%	0.143	34%	0.344	C	S	.	.	H	α-helix	trans	-63.5	-40.1	179	-174.1	64.9	-176.7	139	6.3	112.7	F419 D424 L427 S466 C467 L472 E473 L474	F419-R470 HydrophobicContact CB-CG 4.16Å; F419-R470 HydrophobicContact CD1-CB 4.28Å; F419-R470 HydrophobicContact CD1-CG 3.74Å; F419-R470 HydrophobicContact CD2-CB 3.91Å; F419-R470 HydrophobicContact CD2-CG 3.66Å; F419-R470 HydrophobicContact CE1-CB 4Å; F419-R470 HydrophobicContact CE1-CG 3.97Å; F419-R470 HydrophobicContact CE2-CB 3.61Å; F419-R470 HydrophobicContact CE2-CG 3.9Å; F419-R470 HydrophobicContact CG-CB 4.24Å; F419-R470 HydrophobicContact CG-CG 3.58Å; F419-R470 HydrophobicContact CZ-CB 3.66Å; F419-R470 HydrophobicContact CZ-CG 4.05Å; D424-R470 WeakPolarHBondContact OD1-CG 3.17Å; D424-R470 IonicContact OD1-CZ 2.7Å; D424-R470 IonicContact OD1-NE 3.26Å; D424-R470 PolarHBondContact OD1-NE 2.89Å; D424-R470 IonicContact OD1-NH2 2.69Å; D424-R470 IonicContact OD2-CZ 3.32Å; D424-R470 IonicContact OD2-NE 2.65Å; D424-R470 PolarHBondContact OD2-NE 2.69Å; D424-R470 IonicContact OD2-NH2 2.73Å; D424-R470 PolarHBondContact OD2-NH2 2.91Å; L427-R470 HydrophobicContact CD2-CB 3.79Å; L427-R470 HydrophobicContact CD2-CG 3.79Å; S466-R470 PolarHBondContact O-N 3.14Å; C467-R470 PolarHBondContact O-N 2.9Å; R470-L472 VanDerWaalsContact C-N 3.32Å; R470-L472 PolarHBondContact O-N 2.81Å; R470-E473 VanDerWaalsContact CD-OE2 3.32Å; R470-E473 WeakPolarHBondContact CD-OE2 3.19Å; R470-E473 IonicContact NH1-OE2 2.65Å; R470-E473 PolarHBondContact NH1-OE2 2.98Å; R470-E473 WeakPolarHBondContact O-CB 3.21Å; R470-E473 PolarHBondContact O-N 2.85Å; R470-L474 HydrophobicContact CG-CD1 4.27Å; R470-L474 HydrophobicContact CG-CG 4.43Å; R470-L474 WeakPolarHBondContact O-CG 3.43Å; R470-L474 PolarHBondContact O-N 3.41Å
471	Y	82.5	Confident	73.9	Confident	41 Å²	41	58 Å²	58	16%	0.161	31%	0.312	C	S	.	.	H	α-helix	trans	-60.3	-41.9	175.3	176.7	-101.5	0	0	0	112	L428 V431 I436 W452 C467 K469 L474 C475	L428-Y471 HydrophobicContact CD2-CD2 4.17Å; L428-Y471 HydrophobicContact CD2-CE2 4.11Å; V431-Y471 HydrophobicContact CB-CE2 4.34Å; V431-Y471 HydrophobicContact CG1-CD2 4.37Å; V431-Y471 HydrophobicContact CG1-CE2 3.82Å; V431-Y471 HydrophobicContact CG2-CD2 4.06Å; V431-Y471 HydrophobicContact CG2-CE2 4.34Å; I436-Y471 VanDerWaalsContact CD1-OH 3.25Å; I436-Y471 WeakPolarHBondContact CD1-OH 3.33Å; W452-Y471 AromaticContact CH2-CD1 3.68Å; W452-Y471 HydrophobicContact CH2-CD1 3.68Å; W452-Y471 AromaticContact CH2-CG 3.75Å; W452-Y471 HydrophobicContact CH2-CG 3.75Å; W452-Y471 HydrophobicContact CZ2-CD1 4.16Å; C467-Y471 WeakPolarHBondContact O-CB 3.48Å; C467-Y471 PolarHBondContact O-N 3.41Å; K469-Y471 PolarHBondContact O-N 2.92Å; Y471-L474 PolarHBondContact O-N 3.47Å; Y471-C475 VanDerWaalsContact CZ-SG 3.6Å; Y471-C475 PolarHBondContact O-N 3.26Å; Y471-C475 PolarHBondContact O-SG 2.99Å
472	L	72.7	Confident	74.4	Confident	41 Å²	41	57.6 Å²	57.6	22%	0.215	30%	0.297	C	S	.	.	H	α-helix	trans	-66.2	-39.4	175.4	-68	166.3	0	0	0	112.2	R468 K469 R470 C475 E476	R468-L472 HydrophobicContact CG-CD1 4.2Å; R468-L472 WeakPolarHBondContact O-CG 3.44Å; R468-L472 PolarHBondContact O-N 2.95Å; K469-L472 PolarHBondContact O-N 3.31Å; R470-L472 VanDerWaalsContact C-N 3.32Å; R470-L472 PolarHBondContact O-N 2.81Å; L472-C475 PolarHBondContact O-N 3.28Å; L472-E476 PolarHBondContact O-N 3.45Å
473	E	76.2	Confident	74.4	Confident	59 Å²	59	57.4 Å²	57.4	28%	0.276	30%	0.298	S	S	.	.	H	α-helix	trans	-61.4	-44.6	172.7	-69.5	166.4	-174.3	0	0	112	K469 R470 C475 E476 Q477	K469-E473 IonicContact NZ-OE1 2.71Å; K469-E473 PolarHBondContact NZ-OE1 2.79Å; K469-E473 WeakPolarHBondContact O-CG 3.48Å; K469-E473 PolarHBondContact O-N 3.43Å; R470-E473 VanDerWaalsContact CD-OE2 3.32Å; R470-E473 WeakPolarHBondContact CD-OE2 3.19Å; R470-E473 IonicContact NH1-OE2 2.65Å; R470-E473 PolarHBondContact NH1-OE2 2.98Å; R470-E473 WeakPolarHBondContact O-CB 3.21Å; R470-E473 PolarHBondContact O-N 2.85Å; E473-C475 VanDerWaalsContact C-N 3.35Å; E473-C475 PolarHBondContact O-N 3.45Å; E473-E476 CarbonylContact O-C 3.11Å; E473-E476 PolarHBondContact O-N 3.4Å; E473-Q477 WeakPolarHBondContact O-CG 3.34Å; E473-Q477 PolarHBondContact O-N 3.24Å
474	L	80.8	Confident	74.9	Confident	10 Å²	10	62.8 Å²	62.8	5%	0.052	32%	0.315	C	S	.	.	H	α-helix	trans	-61.1	-43	175.8	-71.4	170.5	0	0	0	111.1	D424 L427 L428 R470 Y471 E476 Q477 F478	D424-L474 HydrophobicContact CB-CD1 4.06Å; D424-L474 HydrophobicContact CB-CD2 4.36Å; L427-L474 HydrophobicContact CD2-CD1 4.16Å; L428-L474 HydrophobicContact CD1-CD1 4.42Å; L428-L474 HydrophobicContact CD2-CD1 4.34Å; L428-L474 HydrophobicContact CG-CD1 4.25Å; R470-L474 HydrophobicContact CG-CD1 4.27Å; R470-L474 HydrophobicContact CG-CG 4.43Å; R470-L474 WeakPolarHBondContact O-CG 3.43Å; R470-L474 PolarHBondContact O-N 3.41Å; Y471-L474 PolarHBondContact O-N 3.47Å; L474-E476 VanDerWaalsContact C-N 3.32Å; L474-E476 PolarHBondContact O-N 2.97Å; L474-Q477 PolarHBondContact O-N 3.43Å; L474-Q477 VanDerWaalsContact O-N 3.15Å; L474-F478 HydrophobicContact CB-CD2 4.33Å; L474-F478 HydrophobicContact CB-CE2 4.23Å; L474-F478 HydrophobicContact CD2-CE2 4.19Å; L474-F478 WeakPolarHBondContact O-CD2 3.39Å; L474-F478 PolarHBondContact O-N 2.98Å
475	C	70.4	Confident	75.4	Confident	46 Å²	46	62.6 Å²	62.6	31%	0.311	31%	0.308	S	S	.	.	H	α-helix	trans	-61.4	-36.9	174.3	-69	0	0	0	0	113.1	Y471 L472 E473 Q479	Y471-C475 VanDerWaalsContact CZ-SG 3.6Å; Y471-C475 PolarHBondContact O-N 3.26Å; Y471-C475 PolarHBondContact O-SG 2.99Å; L472-C475 PolarHBondContact O-N 3.28Å; E473-C475 VanDerWaalsContact C-N 3.35Å; E473-C475 PolarHBondContact O-N 3.45Å; C475-Q479 PolarHBondContact O-N 3.4Å
476	E	68.7	Low	76.3	Confident	75 Å²	75	59.2 Å²	59.2	35%	0.35	28%	0.284	S	S	.	.	H	α-helix	trans	-75.2	-23.8	174.9	-70.6	-178.6	168.9	0	0	112.7	L472 E473 L474 Q479	L472-E476 PolarHBondContact O-N 3.45Å; E473-E476 CarbonylContact O-C 3.11Å; E473-E476 PolarHBondContact O-N 3.4Å; L474-E476 VanDerWaalsContact C-N 3.32Å; L474-E476 PolarHBondContact O-N 2.97Å; E476-Q479 CarbonylContact O-C 3.55Å
477	Q	71.7	Confident	76.6	Confident	126 Å²	126	59 Å²	59	59%	0.589	28%	0.28	S	S	*	.	H	α-helix	trans	-79	-43.3	173.8	-73.8	-178	-49.9	0	0	112.7	E473 L474	E473-Q477 WeakPolarHBondContact O-CG 3.34Å; E473-Q477 PolarHBondContact O-N 3.24Å; L474-Q477 PolarHBondContact O-N 3.43Å; L474-Q477 VanDerWaalsContact O-N 3.15Å
478	F	69.1	Low	76.8	Confident	146 Å²	146	60.7 Å²	60.7	64%	0.64	29%	0.289	S	S	*	.	H	α-helix	trans	-75.9	-22	178.4	-70.9	-61.7	0	0	0	113.6	L428 L474	L428-F478 HydrophobicContact CD1-CE2 4.24Å; L474-F478 HydrophobicContact CB-CD2 4.33Å; L474-F478 HydrophobicContact CB-CE2 4.23Å; L474-F478 HydrophobicContact CD2-CE2 4.19Å; L474-F478 WeakPolarHBondContact O-CD2 3.39Å; L474-F478 PolarHBondContact O-N 2.98Å
479	Q	70.6	Confident	77.3	Confident	90 Å²	90	58.1 Å²	58.1	42%	0.421	28%	0.279	S	S	.	.	S	Bend	trans	-135.5	91	172.2	-69.1	-174.5	-27.2	0	0	109	C475 E476 R524	C475-Q479 PolarHBondContact O-N 3.4Å; E476-Q479 CarbonylContact O-C 3.55Å; Q479-R524 VanDerWaalsContact CB-NH1 3.3Å; Q479-R524 PolarHBondContact O-NH1 3.13Å
480	P	71.7	Confident	77.7	Confident	94 Å²	94	52 Å²	52	61%	0.61	25%	0.252	S	S	*	.	P	Polyproline II helix	trans	-60	158.5	171.4	26.6	-34.5	0	0	0	110.7	R524	P480-R524 PolarHBondContact O-NH2 3.33Å
481	W	73.2	Confident	77.7	Confident	18 Å²	18	52.7 Å²	52.7	7%	0.068	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-88.5	128.2	176.8	-71.5	89.1	0	0	0	110.4	E485 L489 R524 S528 L529 R532	W481-E485 HydrophobicContact CE3-CB 4.05Å; W481-E485 HydrophobicContact CZ3-CB 4.46Å; W481-L489 HydrophobicContact CH2-CD2 4.3Å; W481-L489 HydrophobicContact CZ3-CD2 4.11Å; W481-R524 HydrophobicContact CH2-CG 4.34Å; W481-S528 WeakPolarHBondContact CZ2-OG 3.49Å; W481-L529 HydrophobicContact CH2-CD2 3.87Å; W481-L529 HydrophobicContact CZ3-CD2 4.24Å; W481-R532 HydrophobicContact CD2-CB 4.36Å; W481-R532 HydrophobicContact CD2-CG 3.71Å; W481-R532 HydrophobicContact CE3-CB 4.48Å; W481-R532 HydrophobicContact CE3-CG 3.78Å; W481-R532 HydrophobicContact CG-CG 4.38Å; W481-R532 VanDerWaalsContact CG-CZ 3.42Å; W481-R532 HydrophobicContact CH2-CB 3.69Å; W481-R532 HydrophobicContact CH2-CG 3.9Å; W481-R532 HydrophobicContact CZ2-CB 3.49Å; W481-R532 VanDerWaalsContact CZ2-CB 3.49Å; W481-R532 HydrophobicContact CZ2-CG 3.8Å; W481-R532 HydrophobicContact CZ3-CB 4.19Å; W481-R532 HydrophobicContact CZ3-CG 3.89Å
482	T	78	Confident	77.7	Confident	58 Å²	58	52.4 Å²	52.4	36%	0.356	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-86.3	155.7	175.6	60.4	0	0	0	0	112.3	Y484 E485 D486	T482-Y484 PolarHBondContact O-N 3.45Å; T482-E485 PolarHBondContact N-OE2 2.89Å; T482-E485 PolarHBondContact O-N 3.32Å; T482-E485 WeakPolarHBondContact OG1-CB 3.29Å; T482-E485 VanDerWaalsContact OG1-CG 3.31Å; T482-E485 WeakPolarHBondContact OG1-CG 3.23Å; T482-E485 PolarHBondContact OG1-N 3.29Å; T482-E485 VanDerWaalsContact OG1-N 3.12Å; T482-E485 PolarHBondContact OG1-OE2 3.21Å; T482-D486 PolarHBondContact O-N 3.42Å
483	C	75.6	Confident	78.1	Confident	13 Å²	13	50.5 Å²	50.5	9%	0.088	25%	0.249	C	C	.	.	H	α-helix	trans	-55.7	-36.1	171.5	60.9	0	0	0	0	112.9	D486 H487 Q579 L638 V639	C483-D486 PolarHBondContact O-N 2.95Å; C483-H487 WeakPolarHBondContact O-CB 3.41Å; C483-H487 PolarHBondContact O-N 3.05Å; C483-Q579 PolarHBondContact SG-NE2 3.08Å; C483-Q579 VanDerWaalsContact SG-NE2 3.36Å; C483-Q579 PolarHBondContact SG-OE1 3.42Å; C483-L638 HydrophobicContact CB-CD2 3.86Å; C483-V639 HydrophobicContact CB-CG2 4.32Å
484	Y	80.4	Confident	78.1	Confident	145 Å²	145	48 Å²	48	57%	0.569	24%	0.237	S	C	*	.	H	α-helix	trans	-68.9	-40.5	177.6	-174.9	-113.5	0	0	0	112.6	T482 N488 V639	T482-Y484 PolarHBondContact O-N 3.45Å; Y484-N488 WeakPolarHBondContact CE1-ND2 3.41Å; Y484-N488 VanDerWaalsContact CZ-ND2 3.27Å; Y484-N488 VanDerWaalsContact O-CB 3.31Å; Y484-N488 WeakPolarHBondContact O-CB 3.36Å; Y484-N488 PolarHBondContact O-N 2.87Å; Y484-N488 PolarHBondContact O-ND2 3.22Å; Y484-V639 HydrophobicContact CD2-CG1 4.39Å
485	E	82.5	Confident	77.7	Confident	31 Å²	31	49.4 Å²	49.4	15%	0.145	25%	0.247	C	C	.	.	H	α-helix	trans	-63.2	-41.2	170.3	-78.7	175.7	110.1	0	0	112.2	W481 T482 N488 L489 F521 R524	W481-E485 HydrophobicContact CE3-CB 4.05Å; W481-E485 HydrophobicContact CZ3-CB 4.46Å; T482-E485 PolarHBondContact N-OE2 2.89Å; T482-E485 PolarHBondContact O-N 3.32Å; T482-E485 WeakPolarHBondContact OG1-CB 3.29Å; T482-E485 VanDerWaalsContact OG1-CG 3.31Å; T482-E485 WeakPolarHBondContact OG1-CG 3.23Å; T482-E485 PolarHBondContact OG1-N 3.29Å; T482-E485 VanDerWaalsContact OG1-N 3.12Å; T482-E485 PolarHBondContact OG1-OE2 3.21Å; E485-N488 PolarHBondContact O-N 3.4Å; E485-L489 WeakPolarHBondContact O-CB 3.5Å; E485-L489 PolarHBondContact O-N 2.87Å; E485-F521 HydrophobicContact CB-CE1 4.05Å; E485-F521 HydrophobicContact CG-CD1 4.32Å; E485-F521 HydrophobicContact CG-CE1 4.15Å; E485-R524 IonicContact OE1-CZ 3.64Å; E485-R524 IonicContact OE1-NE 3.5Å; E485-R524 PolarHBondContact OE1-NE 2.81Å; E485-R524 IonicContact OE1-NH2 3.87Å; E485-R524 PolarHBondContact OE1-NH2 3.18Å; E485-R524 IonicContact OE2-CZ 2.85Å; E485-R524 IonicContact OE2-NH2 2.78Å; E485-R524 PolarHBondContact OE2-NH2 3.03Å
486	D	84.5	Confident	77.6	Confident	1 Å²	1	52 Å²	52	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-64.6	-46.6	178.5	-85.8	-16.8	0	0	0	111.9	T482 C483 L489 Y490 R532 L536	T482-D486 PolarHBondContact O-N 3.42Å; C483-D486 PolarHBondContact O-N 2.95Å; D486-L489 PolarHBondContact O-N 3.14Å; D486-Y490 WeakPolarHBondContact O-CB 3.49Å; D486-Y490 PolarHBondContact O-N 3.25Å; D486-R532 IonicContact OD1-CZ 2.74Å; D486-R532 IonicContact OD1-NE 3.16Å; D486-R532 PolarHBondContact OD1-NE 3.08Å; D486-R532 IonicContact OD1-NH2 3.98Å; D486-R532 PolarHBondContact OD1-NH2 3.1Å; D486-R532 IonicContact OD2-CZ 3.71Å; D486-R532 IonicContact OD2-NE 3.56Å; D486-R532 IonicContact OD2-NH2 3.67Å; D486-R532 PolarHBondContact OD2-NH2 3.35Å; D486-L536 HydrophobicContact CB-CD1 4.08Å; D486-L536 HydrophobicContact CB-CD2 3.98Å
487	H	84	Confident	77.2	Confident	22 Å²	22	48.6 Å²	48.6	10%	0.102	24%	0.237	C	C	.	.	H	α-helix	trans	-54.5	-56.2	171.8	164.7	-95.4	0	0	0	110.7	C483 L489 Y490 H491 D636 V639	C483-H487 WeakPolarHBondContact O-CB 3.41Å; C483-H487 PolarHBondContact O-N 3.05Å; H487-L489 VanDerWaalsContact C-N 3.28Å; H487-L489 PolarHBondContact O-N 3.03Å; H487-Y490 PolarHBondContact O-N 3.41Å; H487-Y490 VanDerWaalsContact O-N 3.14Å; H487-H491 WeakPolarHBondContact O-CB 3.38Å; H487-H491 PolarHBondContact O-N 3.28Å; H487-D636 IonicContact CD2-OD1 3.88Å; H487-D636 IonicContact NE2-OD1 3.1Å; H487-D636 PolarHBondContact NE2-OD1 2.75Å; H487-V639 HydrophobicContact CB-CG2 4.12Å
488	N	84.7	Confident	76.3	Confident	37 Å²	37	45.9 Å²	45.9	20%	0.198	23%	0.23	C	C	.	.	H	α-helix	trans	-62.1	-36.4	-177.3	-68.8	-15.5	0	0	0	111.8	Y484 E485 L492 F521	Y484-N488 WeakPolarHBondContact CE1-ND2 3.41Å; Y484-N488 VanDerWaalsContact CZ-ND2 3.27Å; Y484-N488 VanDerWaalsContact O-CB 3.31Å; Y484-N488 WeakPolarHBondContact O-CB 3.36Å; Y484-N488 PolarHBondContact O-N 2.87Å; Y484-N488 PolarHBondContact O-ND2 3.22Å; E485-N488 PolarHBondContact O-N 3.4Å; N488-L492 WeakPolarHBondContact O-CB 3.31Å; N488-L492 WeakPolarHBondContact O-CD1 3.31Å; N488-L492 WeakPolarHBondContact O-CG 3.4Å; N488-L492 PolarHBondContact O-N 2.75Å; N488-F521 HydrophobicContact CB-CZ 4.08Å
489	L	86	Confident	75.4	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-69.6	-38.9	177.7	179.1	60	0	0	0	111.6	W481 E485 D486 H487 V493 F514 L517 F521 L529 R532 F533 L536	W481-L489 HydrophobicContact CH2-CD2 4.3Å; W481-L489 HydrophobicContact CZ3-CD2 4.11Å; E485-L489 WeakPolarHBondContact O-CB 3.5Å; E485-L489 PolarHBondContact O-N 2.87Å; D486-L489 PolarHBondContact O-N 3.14Å; H487-L489 VanDerWaalsContact C-N 3.28Å; H487-L489 PolarHBondContact O-N 3.03Å; L489-V493 HydrophobicContact CD1-CG2 3.99Å; L489-V493 WeakPolarHBondContact O-CB 3.27Å; L489-V493 WeakPolarHBondContact O-CG2 3.4Å; L489-V493 PolarHBondContact O-N 3.01Å; L489-F514 HydrophobicContact CD1-CE1 4.41Å; L489-L517 HydrophobicContact CD1-CD1 4.26Å; L489-F521 HydrophobicContact CB-CE1 4.22Å; L489-F521 HydrophobicContact CB-CE2 4.49Å; L489-F521 HydrophobicContact CB-CZ 3.74Å; L489-F521 HydrophobicContact CD1-CE2 4.36Å; L489-F521 HydrophobicContact CD1-CZ 4.38Å; L489-L529 HydrophobicContact CD1-CB 4.22Å; L489-L529 HydrophobicContact CD1-CD2 3.89Å; L489-L529 HydrophobicContact CD2-CD2 4.36Å; L489-R532 HydrophobicContact CD2-CB 3.68Å; L489-R532 HydrophobicContact CD2-CG 3.7Å; L489-F533 HydrophobicContact CD2-CB 4.28Å; L489-F533 HydrophobicContact CG-CB 4.31Å; L489-L536 HydrophobicContact CD2-CD1 4.27Å
490	Y	85.2	Confident	73.9	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-69.6	-49.6	176.5	-147.4	-100.1	0	0	0	110.7	D486 H487 V493 L494 F533 L536 A540 D628 F631 M632	D486-Y490 WeakPolarHBondContact O-CB 3.49Å; D486-Y490 PolarHBondContact O-N 3.25Å; H487-Y490 PolarHBondContact O-N 3.41Å; H487-Y490 VanDerWaalsContact O-N 3.14Å; Y490-V493 PolarHBondContact O-N 3.25Å; Y490-L494 HydrophobicContact CD1-CD1 3.68Å; Y490-L494 HydrophobicContact CD1-CG 4.38Å; Y490-L494 HydrophobicContact CE1-CD1 3.82Å; Y490-L494 WeakPolarHBondContact O-CG 2.71Å; Y490-L494 PolarHBondContact O-N 2.73Å; Y490-L494 VanDerWaalsContact O-N 3.1Å; Y490-F533 HydrophobicContact CD2-CD2 4.03Å; Y490-F533 AromaticContact CD2-CE2 3.72Å; Y490-F533 HydrophobicContact CD2-CE2 3.72Å; Y490-F533 HydrophobicContact CE2-CD2 4.44Å; Y490-F533 AromaticContact CE2-CE2 3.87Å; Y490-F533 HydrophobicContact CE2-CE2 3.87Å; Y490-F533 HydrophobicContact CE2-CZ 4.43Å; Y490-F533 HydrophobicContact CG-CE2 4.33Å; Y490-L536 HydrophobicContact CD2-CB 3.66Å; Y490-L536 HydrophobicContact CD2-CD1 4.25Å; Y490-L536 HydrophobicContact CE2-CB 3.88Å; Y490-A540 WeakPolarHBondContact OH-CB 3.49Å; Y490-D628 HydrophobicContact CE1-CB 4.31Å; Y490-D628 PolarHBondContact OH-OD1 3.32Å; Y490-F631 HydrophobicContact CD1-CD1 4.26Å; Y490-F631 HydrophobicContact CD2-CE1 4.43Å; Y490-F631 AromaticContact CE1-CD1 3.91Å; Y490-F631 HydrophobicContact CE1-CD1 3.91Å; Y490-F631 HydrophobicContact CE2-CD1 4.2Å; Y490-F631 HydrophobicContact CE2-CE1 4.3Å; Y490-F631 AromaticContact CZ-CD1 3.88Å; Y490-M632 HydrophobicContact CD1-CG 3.99Å; Y490-M632 HydrophobicContact CD1-SD 3.76Å; Y490-M632 HydrophobicContact CE1-CG 4.48Å; Y490-M632 HydrophobicContact CG-SD 4.45Å
491	H	83.4	Confident	72	Confident	53 Å²	53	44.9 Å²	44.9	25%	0.245	24%	0.241	C	C	.	.	H	α-helix	trans	-57.8	-52.9	178.6	178.8	-134.8	0	0	0	112.3	H487 V493 L494 S495 Y615 M632	H487-H491 WeakPolarHBondContact O-CB 3.38Å; H487-H491 PolarHBondContact O-N 3.28Å; H491-V493 PolarHBondContact O-N 3.12Å; H491-L494 PolarHBondContact O-N 3.36Å; H491-S495 PolarHBondContact O-N 3.02Å; H491-Y615 AromaticContact CD2-CE1 3.69Å; H491-Y615 AromaticContact NE2-CD1 3.73Å; H491-Y615 AromaticContact NE2-CE1 3.65Å; H491-M632 HydrophobicContact CB-CE 3.88Å; H491-M632 HydrophobicContact CB-SD 4.08Å
492	L	83	Confident	70	Confident	35 Å²	35	52.3 Å²	52.3	18%	0.183	28%	0.279	C	S	.	.	H	α-helix	trans	-67.7	-32.1	-177.3	-65.6	169.3	0	0	0	112.8	N488 L494 S495 Y496 L517 Y520 F521	N488-L492 WeakPolarHBondContact O-CB 3.31Å; N488-L492 WeakPolarHBondContact O-CD1 3.31Å; N488-L492 WeakPolarHBondContact O-CG 3.4Å; N488-L492 PolarHBondContact O-N 2.75Å; L492-L494 VanDerWaalsContact C-N 3.33Å; L492-S495 PolarHBondContact O-OG 2.76Å; L492-Y496 WeakPolarHBondContact O-CD2 3.17Å; L492-L517 HydrophobicContact CB-CD2 3.52Å; L492-L517 HydrophobicContact CD1-CD2 3.98Å; L492-L517 HydrophobicContact CG-CD2 4.35Å; L492-Y520 HydrophobicContact CD1-CD1 4.44Å; L492-Y520 HydrophobicContact CD1-CD2 4.38Å; L492-Y520 HydrophobicContact CD1-CG 4.08Å; L492-F521 HydrophobicContact CD1-CE2 4.17Å
493	V	80.7	Confident	67.6	Low	2 Å²	2	52.5 Å²	52.5	1%	0.012	29%	0.292	C	S	.	.	H	α-helix	trans	-71.2	-30.8	174.9	174.1	0	0	0	0	111.8	L489 Y490 H491 Y499 F514 L517 F533	L489-V493 HydrophobicContact CD1-CG2 3.99Å; L489-V493 WeakPolarHBondContact O-CB 3.27Å; L489-V493 WeakPolarHBondContact O-CG2 3.4Å; L489-V493 PolarHBondContact O-N 3.01Å; Y490-V493 PolarHBondContact O-N 3.25Å; H491-V493 PolarHBondContact O-N 3.12Å; V493-Y499 PolarHBondContact O-OH 3.17Å; V493-F514 HydrophobicContact CG2-CE1 3.77Å; V493-F514 HydrophobicContact CG2-CZ 4.36Å; V493-L517 HydrophobicContact CG2-CD1 3.52Å; V493-F533 HydrophobicContact CB-CD2 3.74Å; V493-F533 HydrophobicContact CB-CE2 3.6Å; V493-F533 HydrophobicContact CB-CG 4.39Å; V493-F533 HydrophobicContact CB-CZ 4.16Å; V493-F533 HydrophobicContact CG1-CD1 4.08Å; V493-F533 HydrophobicContact CG1-CD2 3.75Å; V493-F533 HydrophobicContact CG1-CE1 3.78Å; V493-F533 HydrophobicContact CG1-CE2 3.42Å; V493-F533 VanDerWaalsContact CG1-CE2 3.42Å; V493-F533 HydrophobicContact CG1-CG 4.08Å; V493-F533 HydrophobicContact CG1-CZ 3.43Å; V493-F533 VanDerWaalsContact CG1-CZ 3.43Å; V493-F533 HydrophobicContact CG2-CD2 3.85Å; V493-F533 HydrophobicContact CG2-CE2 4.25Å; V493-F533 HydrophobicContact CG2-CG 4.21Å
494	L	76.6	Confident	65.5	Low	7 Å²	7	56 Å²	56	4%	0.037	32%	0.316	C	S	.	.	H	α-helix	trans	-74.1	-41.8	172.6	-68.2	173.5	0	0	0	112	Y490 H491 L492 Y496 G497 W617 W622 D628 M632	Y490-L494 HydrophobicContact CD1-CD1 3.68Å; Y490-L494 HydrophobicContact CD1-CG 4.38Å; Y490-L494 HydrophobicContact CE1-CD1 3.82Å; Y490-L494 WeakPolarHBondContact O-CG 2.71Å; Y490-L494 PolarHBondContact O-N 2.73Å; Y490-L494 VanDerWaalsContact O-N 3.1Å; H491-L494 PolarHBondContact O-N 3.36Å; L492-L494 VanDerWaalsContact C-N 3.33Å; L494-Y496 PolarHBondContact O-N 3.41Å; L494-Y496 VanDerWaalsContact O-N 3.16Å; L494-G497 PolarHBondContact O-N 2.93Å; L494-W617 HydrophobicContact CB-CH2 4.26Å; L494-W617 HydrophobicContact CB-CZ3 3.96Å; L494-W622 HydrophobicContact CB-CH2 4.14Å; L494-W622 HydrophobicContact CD2-CH2 3.99Å; L494-W622 WeakPolarHBondContact O-CH2 3.46Å; L494-W622 WeakPolarHBondContact O-CZ3 3.43Å; L494-D628 HydrophobicContact CD1-CB 4.32Å; L494-D628 HydrophobicContact CD2-CB 4.15Å; L494-M632 HydrophobicContact CD1-CG 3.65Å; L494-M632 HydrophobicContact CD1-SD 4.18Å
495	S	72.7	Confident	63.9	Low	38 Å²	38	55.7 Å²	55.7	27%	0.266	31%	0.314	S	S	.	.	H	α-helix	trans	-64.8	-21.5	-175.2	71.9	0	0	0	0	114.2	H491 L492 G497	H491-S495 PolarHBondContact O-N 3.02Å; L492-S495 PolarHBondContact O-OG 2.76Å; S495-G497 PolarHBondContact O-N 2.64Å
496	Y	68	Low	61.7	Low	101 Å²	101	65.4 Å²	65.4	40%	0.396	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-6.8	168.9	-77.5	-59.7	0	0	0	115.1	L492 L494 Y499 I513 L517	L492-Y496 WeakPolarHBondContact O-CD2 3.17Å; L494-Y496 PolarHBondContact O-N 3.41Å; L494-Y496 VanDerWaalsContact O-N 3.16Å; Y496-Y499 VanDerWaalsContact CB-OH 3.29Å; Y496-Y499 WeakPolarHBondContact CB-OH 3.19Å; Y496-I513 HydrophobicContact CD2-CG2 3.99Å; Y496-I513 HydrophobicContact CE2-CG2 4.5Å; Y496-L517 HydrophobicContact CE2-CD2 3.86Å; Y496-L517 HydrophobicContact CE2-CG 4.13Å
497	G	58.7	Low	59.7	Low	4 Å²	4	70.6 Å²	70.6	4%	0.041	38%	0.381	C	S	.	.			trans	83.9	-164.7	163.3	0	0	0	0	0	117.5	L494 S495 Y499	L494-G497 PolarHBondContact O-N 2.93Å; S495-G497 PolarHBondContact O-N 2.64Å; G497-Y499 WeakPolarHBondContact O-CD2 3.42Å; G497-Y499 WeakPolarHBondContact O-CE2 3.35Å; G497-Y499 PolarHBondContact O-N 3.36Å
498	P	54.2	Low	58	Low	69 Å²	69	70.3 Å²	70.3	45%	0.448	38%	0.384	S	S	.	.			trans	-77.1	112.4	-166.1	25.5	-30.8	0	0	0	114.5	A500 W622	P498-A500 PolarHBondContact O-N 3.36Å; P498-W622 HydrophobicContact CB-CG 4.04Å; P498-W622 HydrophobicContact CG-CB 4.01Å; P498-W622 HydrophobicContact CG-CG 3.85Å
499	Y	50.6	Low	56.6	Low	96 Å²	96	69.1 Å²	69.1	38%	0.376	38%	0.378	S	S	.	.			trans	-75.2	81.2	174.8	-56.8	-71.5	0	0	0	113.6	V493 Y496 G497 I513	V493-Y499 PolarHBondContact O-OH 3.17Å; Y496-Y499 VanDerWaalsContact CB-OH 3.29Å; Y496-Y499 WeakPolarHBondContact CB-OH 3.19Å; G497-Y499 WeakPolarHBondContact O-CD2 3.42Å; G497-Y499 WeakPolarHBondContact O-CE2 3.35Å; G497-Y499 PolarHBondContact O-N 3.36Å; Y499-I513 HydrophobicContact CD1-CD1 3.97Å; Y499-I513 HydrophobicContact CE1-CD1 3.25Å; Y499-I513 HydrophobicContact CE1-CG1 3.78Å; Y499-I513 HydrophobicContact CE2-CD1 4.38Å
500	A	38	Very low	55.2	Low	86 Å²	86	71.9 Å²	71.9	71%	0.711	40%	0.397	S	S	*	.			trans	-137.9	139.2	164.4	0	0	0	0	0	111	P498	P498-A500 PolarHBondContact O-N 3.36Å
501	P	31.4	Very low	54.2	Low	126 Å²	126	74.9 Å²	74.9	82%	0.818	41%	0.413	S	S	*	.	S	Bend	cis	-123.5	81.6	18.1	38.4	-22.2	0	0	0	114
502	M	31.6	Very low	53.3	Low	174 Å²	174	79 Å²	79	86%	0.857	43%	0.433	S	S	*	.	S	Bend	trans	-127.5	109.6	157.3	-78.2	-67.8	-79	0	0	107.6
503	G	27.4	Very low	52.8	Low	62 Å²	62	78.1 Å²	78.1	64%	0.639	43%	0.428	S	S	*	.			trans	-76.8	145.5	-154.6	0	0	0	0	0	116.2
504	C	33	Very low	52.6	Low	86 Å²	86	78 Å²	78	58%	0.581	43%	0.427	S	S	*	.			trans	76.3	123.9	169.8	-51.7	0	0	0	0	117.1	R506 T507	C504-R506 HydrophobicContact CB-CB 3.9Å; C504-R506 HydrophobicContact CB-CG 4.01Å; C504-R506 PolarHBondContact O-N 2.78Å; C504-T507 PolarHBondContact O-N 2.87Å; C504-T507 VanDerWaalsContact O-N 3.15Å; C504-T507 PolarHBondContact O-OG1 2.99Å
505	W	45.5	Very low	52.5	Low	140 Å²	140	80.8 Å²	80.8	53%	0.53	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-49.5	-18	161.3	-65.9	105.8	0	0	0	114.3	T507 G508 P509 F533	W505-T507 PolarHBondContact O-N 3.33Å; W505-G508 PolarHBondContact O-N 2.85Å; W505-P509 HydrophobicContact CZ3-CG 4.2Å; W505-F533 HydrophobicContact CZ3-CE1 4.07Å
506	R	37.5	Very low	52.5	Low	235 Å²	235	83.4 Å²	83.4	89%	0.887	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-54.3	-28.6	174	-63.9	179.4	-173.5	-96.9	0.7	114	C504	C504-R506 HydrophobicContact CB-CB 3.9Å; C504-R506 HydrophobicContact CB-CG 4.01Å; C504-R506 PolarHBondContact O-N 2.78Å
507	T	42.5	Very low	53.1	Low	110 Å²	110	78.6 Å²	78.6	68%	0.675	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-92.7	-11.8	174.3	51.7	0	0	0	0	113.5	C504 W505	C504-T507 PolarHBondContact O-N 2.87Å; C504-T507 VanDerWaalsContact O-N 3.15Å; C504-T507 PolarHBondContact O-OG1 2.99Å; W505-T507 PolarHBondContact O-N 3.33Å
508	G	48.1	Very low	54	Low	16 Å²	16	81.6 Å²	81.6	17%	0.165	45%	0.451	C	S	.	.			trans	74.9	169.7	-170	0	0	0	0	0	113.6	W505	W505-G508 PolarHBondContact O-N 2.85Å
509	P	54.2	Low	55.2	Low	12 Å²	12	83.4 Å²	83.4	8%	0.078	46%	0.463	C	S	.	.	S	Bend	trans	-71	152.8	178	-10.1	26.2	0	0	0	111.2	W505 L511 I513 F514 Q530 F533	W505-P509 HydrophobicContact CZ3-CG 4.2Å; P509-L511 PolarHBondContact O-N 3.13Å; P509-I513 HydrophobicContact CB-CD1 3.42Å; P509-I513 VanDerWaalsContact CB-CD1 3.42Å; P509-F514 HydrophobicContact CB-CE2 3.8Å; P509-F514 HydrophobicContact CB-CZ 4.24Å; P509-F514 HydrophobicContact CG-CE2 3.95Å; P509-F514 HydrophobicContact CG-CZ 4.01Å; P509-Q530 PolarHBondContact O-NE2 3.5Å; P509-F533 HydrophobicContact CG-CD1 4.24Å; P509-F533 HydrophobicContact CG-CE1 4.19Å
510	S	57.2	Low	56.6	Low	57 Å²	57	85.7 Å²	85.7	40%	0.399	47%	0.472	S	S	.	.			trans	-53.3	138.7	178.4	-176.5	0	0	0	0	111.4	Q512 I513	S510-Q512 PolarHBondContact O-N 2.83Å; S510-Q512 PolarHBondContact OG-N 3.18Å; S510-Q512 PolarHBondContact OG-OE1 3.22Å; S510-I513 PolarHBondContact O-N 2.69Å
511	L	64.1	Low	58.6	Low	64 Å²	64	81.8 Å²	81.8	34%	0.335	44%	0.439	S	S	.	.	H	α-helix	trans	-56.2	-23.8	173.4	-104.9	158.8	0	0	0	112.4	P509 I513 F514 T515 A526	P509-L511 PolarHBondContact O-N 3.13Å; L511-I513 VanDerWaalsContact C-N 3.29Å; L511-I513 PolarHBondContact O-N 2.95Å; L511-F514 PolarHBondContact O-N 2.91Å; L511-T515 PolarHBondContact O-N 2.82Å; L511-T515 PolarHBondContact O-OG1 2.75Å; L511-A526 HydrophobicContact CD2-CB 3.98Å
512	Q	64.8	Low	60.5	Low	139 Å²	139	81 Å²	81	65%	0.65	43%	0.434	S	S	*	.	H	α-helix	trans	-59.1	-35.2	175.6	-67.1	168.9	-63	0	0	113.5	S510 T515 N516	S510-Q512 PolarHBondContact O-N 2.83Å; S510-Q512 PolarHBondContact OG-N 3.18Å; S510-Q512 PolarHBondContact OG-OE1 3.22Å; Q512-T515 VanDerWaalsContact CA-OG1 3.28Å; Q512-T515 WeakPolarHBondContact CA-OG1 3.08Å; Q512-T515 PolarHBondContact O-N 3.28Å; Q512-T515 PolarHBondContact O-OG1 2.69Å; Q512-N516 PolarHBondContact O-N 2.96Å; Q512-N516 PolarHBondContact O-OD1 3.38Å
513	I	72	Confident	62.2	Low	16 Å²	16	76.1 Å²	76.1	8%	0.082	43%	0.428	C	S	.	.	H	α-helix	trans	-65.6	-47.2	178.2	-56.9	149.1	0	0	0	108.5	Y496 Y499 P509 S510 L511 T515 N516 L517	Y496-I513 HydrophobicContact CD2-CG2 3.99Å; Y496-I513 HydrophobicContact CE2-CG2 4.5Å; Y499-I513 HydrophobicContact CD1-CD1 3.97Å; Y499-I513 HydrophobicContact CE1-CD1 3.25Å; Y499-I513 HydrophobicContact CE1-CG1 3.78Å; Y499-I513 HydrophobicContact CE2-CD1 4.38Å; P509-I513 HydrophobicContact CB-CD1 3.42Å; P509-I513 VanDerWaalsContact CB-CD1 3.42Å; S510-I513 PolarHBondContact O-N 2.69Å; L511-I513 VanDerWaalsContact C-N 3.29Å; L511-I513 PolarHBondContact O-N 2.95Å; I513-T515 VanDerWaalsContact C-N 3.33Å; I513-T515 PolarHBondContact O-N 3.29Å; I513-N516 WeakPolarHBondContact O-CB 3.37Å; I513-N516 PolarHBondContact O-N 2.62Å; I513-N516 VanDerWaalsContact O-N 3.16Å; I513-L517 HydrophobicContact CG2-CD1 4.13Å; I513-L517 WeakPolarHBondContact O-CG 3.49Å; I513-L517 PolarHBondContact O-N 3.18Å
514	F	77.2	Confident	64.5	Low	0 Å²	0	74.1 Å²	74.1	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-73.5	-20.3	-179.5	-58	-71.8	0	0	0	113.9	L489 V493 P509 L511 L517 A526 L529 Q530 F533	L489-F514 HydrophobicContact CD1-CE1 4.41Å; V493-F514 HydrophobicContact CG2-CE1 3.77Å; V493-F514 HydrophobicContact CG2-CZ 4.36Å; P509-F514 HydrophobicContact CB-CE2 3.8Å; P509-F514 HydrophobicContact CB-CZ 4.24Å; P509-F514 HydrophobicContact CG-CE2 3.95Å; P509-F514 HydrophobicContact CG-CZ 4.01Å; L511-F514 PolarHBondContact O-N 2.91Å; F514-L517 HydrophobicContact CD1-CD1 3.93Å; F514-L517 HydrophobicContact CE1-CD1 4.34Å; F514-A526 HydrophobicContact CB-CB 3.94Å; F514-A526 VanDerWaalsContact CB-O 3.26Å; F514-A526 WeakPolarHBondContact CB-O 3.08Å; F514-A526 WeakPolarHBondContact O-CB 3.13Å; F514-L529 HydrophobicContact CB-CB 4.28Å; F514-L529 HydrophobicContact CD1-CB 3.66Å; F514-L529 HydrophobicContact CE1-CB 4.47Å; F514-L529 HydrophobicContact CG-CB 4.32Å; F514-Q530 HydrophobicContact CD1-CB 4.37Å; F514-Q530 HydrophobicContact CD2-CB 3.59Å; F514-Q530 HydrophobicContact CD2-CG 3.8Å; F514-Q530 HydrophobicContact CE1-CB 4.47Å; F514-Q530 HydrophobicContact CE2-CB 3.72Å; F514-Q530 HydrophobicContact CE2-CG 3.53Å; F514-Q530 HydrophobicContact CG-CB 3.93Å; F514-Q530 HydrophobicContact CZ-CB 4.16Å; F514-Q530 HydrophobicContact CZ-CG 4.15Å; F514-F533 HydrophobicContact CE1-CB 3.84Å; F514-F533 HydrophobicContact CE1-CG 4.33Å; F514-F533 HydrophobicContact CZ-CB 4.01Å; F514-F533 HydrophobicContact CZ-CD1 4.15Å; F514-F533 HydrophobicContact CZ-CG 4.23Å
515	T	73	Confident	66.3	Low	65 Å²	65	72.6 Å²	72.6	40%	0.399	39%	0.391	S	S	.	.	H	α-helix	trans	-75.6	-35.5	166.6	52.4	0	0	0	0	112.2	L511 Q512 I513 L517 L518 A526	L511-T515 PolarHBondContact O-N 2.82Å; L511-T515 PolarHBondContact O-OG1 2.75Å; Q512-T515 VanDerWaalsContact CA-OG1 3.28Å; Q512-T515 WeakPolarHBondContact CA-OG1 3.08Å; Q512-T515 PolarHBondContact O-N 3.28Å; Q512-T515 PolarHBondContact O-OG1 2.69Å; I513-T515 VanDerWaalsContact C-N 3.33Å; I513-T515 PolarHBondContact O-N 3.29Å; T515-L517 PolarHBondContact O-N 3.3Å; T515-L518 HydrophobicContact CG2-CD1 4.47Å; T515-L518 WeakPolarHBondContact O-CB 3.41Å; T515-L518 PolarHBondContact O-N 2.72Å; T515-A526 HydrophobicContact CG2-CB 3.92Å
516	N	74.1	Confident	67.5	Low	94 Å²	94	66.5 Å²	66.5	50%	0.503	37%	0.371	S	S	.	.	H	α-helix	trans	-69.3	-25.6	174.9	-65.6	7.1	0	0	0	112.1	Q512 I513 P519	Q512-N516 PolarHBondContact O-N 2.96Å; Q512-N516 PolarHBondContact O-OD1 3.38Å; I513-N516 WeakPolarHBondContact O-CB 3.37Å; I513-N516 PolarHBondContact O-N 2.62Å; I513-N516 VanDerWaalsContact O-N 3.16Å; N516-P519 VanDerWaalsContact O-CD 3.3Å; N516-P519 WeakPolarHBondContact O-CD 3.43Å
517	L	80.6	Confident	68.9	Low	0 Å²	0	58.4 Å²	58.4	0%	0	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-15.8	175.9	-71.7	167.4	0	0	0	114.4	L489 L492 V493 Y496 I513 F514 T515 P519 Y520 F521 L529	L489-L517 HydrophobicContact CD1-CD1 4.26Å; L492-L517 HydrophobicContact CB-CD2 3.52Å; L492-L517 HydrophobicContact CD1-CD2 3.98Å; L492-L517 HydrophobicContact CG-CD2 4.35Å; V493-L517 HydrophobicContact CG2-CD1 3.52Å; Y496-L517 HydrophobicContact CE2-CD2 3.86Å; Y496-L517 HydrophobicContact CE2-CG 4.13Å; I513-L517 HydrophobicContact CG2-CD1 4.13Å; I513-L517 WeakPolarHBondContact O-CG 3.49Å; I513-L517 PolarHBondContact O-N 3.18Å; F514-L517 HydrophobicContact CD1-CD1 3.93Å; F514-L517 HydrophobicContact CE1-CD1 4.34Å; T515-L517 PolarHBondContact O-N 3.3Å; L517-P519 VanDerWaalsContact C-N 3.33Å; L517-Y520 HydrophobicContact CD2-CD2 4.49Å; L517-Y520 PolarHBondContact O-N 3.4Å; L517-F521 HydrophobicContact CB-CD2 4.48Å; L517-L529 HydrophobicContact CB-CD1 4.19Å
518	L	78.1	Confident	70.4	Confident	66 Å²	66	53.6 Å²	53.6	35%	0.346	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-51.4	-39.1	-177.1	-72.1	171.3	0	0	0	115.2	T515 Y520 F521 R524 A526 L529	T515-L518 HydrophobicContact CG2-CD1 4.47Å; T515-L518 WeakPolarHBondContact O-CB 3.41Å; T515-L518 PolarHBondContact O-N 2.72Å; L518-Y520 PolarHBondContact O-N 3.26Å; L518-F521 CarbonylContact O-C 3.56Å; L518-F521 PolarHBondContact O-N 3.24Å; L518-F521 VanDerWaalsContact O-N 3.14Å; L518-R524 VanDerWaalsContact CD2-O 3.28Å; L518-R524 WeakPolarHBondContact CD2-O 2.97Å; L518-A526 HydrophobicContact CD1-CB 4.5Å; L518-A526 HydrophobicContact CD2-CB 4.27Å; L518-A526 HydrophobicContact CG-CB 4.47Å; L518-L529 HydrophobicContact CD2-CD1 4.2Å
519	P	79.4	Confident	71.9	Confident	107 Å²	107	52.8 Å²	52.8	70%	0.695	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-61.7	-25.4	179.2	-24.3	36.2	0	0	0	114.4	N516 L517	N516-P519 VanDerWaalsContact O-CD 3.3Å; N516-P519 WeakPolarHBondContact O-CD 3.43Å; L517-P519 VanDerWaalsContact C-N 3.33Å
520	Y	79.5	Confident	73.1	Confident	144 Å²	144	53.2 Å²	53.2	57%	0.565	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-87.8	-8.6	-180	-56.5	-82.9	0	0	0	113.3	L492 L517 L518	L492-Y520 HydrophobicContact CD1-CD1 4.44Å; L492-Y520 HydrophobicContact CD1-CD2 4.38Å; L492-Y520 HydrophobicContact CD1-CG 4.08Å; L517-Y520 HydrophobicContact CD2-CD2 4.49Å; L517-Y520 PolarHBondContact O-N 3.4Å; L518-Y520 PolarHBondContact O-N 3.26Å
521	F	78.7	Confident	73.8	Confident	5 Å²	5	53.1 Å²	53.1	2%	0.022	31%	0.306	C	S	.	.	S	Bend	trans	-134.2	71.5	-173.1	-69.7	-83.3	0	0	0	111.2	E485 N488 L489 L492 L517 L518 R524 L529	E485-F521 HydrophobicContact CB-CE1 4.05Å; E485-F521 HydrophobicContact CG-CD1 4.32Å; E485-F521 HydrophobicContact CG-CE1 4.15Å; N488-F521 HydrophobicContact CB-CZ 4.08Å; L489-F521 HydrophobicContact CB-CE1 4.22Å; L489-F521 HydrophobicContact CB-CE2 4.49Å; L489-F521 HydrophobicContact CB-CZ 3.74Å; L489-F521 HydrophobicContact CD1-CE2 4.36Å; L489-F521 HydrophobicContact CD1-CZ 4.38Å; L492-F521 HydrophobicContact CD1-CE2 4.17Å; L517-F521 HydrophobicContact CB-CD2 4.48Å; L518-F521 CarbonylContact O-C 3.56Å; L518-F521 PolarHBondContact O-N 3.24Å; L518-F521 VanDerWaalsContact O-N 3.14Å; F521-R524 HydrophobicContact CB-CB 3.88Å; F521-R524 HydrophobicContact CB-CG 3.79Å; F521-R524 HydrophobicContact CD1-CG 4.44Å; F521-R524 WeakPolarHBondContact O-CB 2.91Å; F521-R524 PolarHBondContact O-N 3.45Å; F521-R524 VanDerWaalsContact O-N 3.13Å; F521-L529 HydrophobicContact CB-CD1 4.23Å; F521-L529 HydrophobicContact CB-CD2 3.78Å; F521-L529 HydrophobicContact CD1-CD2 3.8Å; F521-L529 HydrophobicContact CD2-CD1 4.32Å; F521-L529 HydrophobicContact CD2-CD2 3.66Å; F521-L529 HydrophobicContact CE1-CD2 4.3Å; F521-L529 HydrophobicContact CE2-CD2 4.19Å; F521-L529 HydrophobicContact CG-CD1 4.47Å; F521-L529 HydrophobicContact CG-CD2 3.45Å; F521-L529 VanDerWaalsContact CG-CD2 3.45Å; F521-L529 HydrophobicContact CZ-CD2 4.49Å
522	P	72.2	Confident	74.6	Confident	109 Å²	109	50.9 Å²	50.9	71%	0.708	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	139.9	179.9	24.2	-34.3	0	0	0	111.7	R524	P522-R524 PolarHBondContact O-N 3.08Å; P522-R524 VanDerWaalsContact O-N 3.1Å
523	G	68.1	Low	75.5	Confident	71 Å²	71	44.4 Å²	44.4	73%	0.732	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	-22.2	-175.9	0	0	0	0	0	115.5
524	R	74.6	Confident	75.7	Confident	21 Å²	21	47.1 Å²	47.1	8%	0.079	27%	0.274	C	S	.	.			trans	-77.8	145.1	178.7	-50.7	-54.1	-165.9	173.8	3.2	111.2	Q479 P480 W481 E485 L518 F521 P522 L529	Q479-R524 VanDerWaalsContact CB-NH1 3.3Å; Q479-R524 PolarHBondContact O-NH1 3.13Å; P480-R524 PolarHBondContact O-NH2 3.33Å; W481-R524 HydrophobicContact CH2-CG 4.34Å; E485-R524 IonicContact OE1-CZ 3.64Å; E485-R524 IonicContact OE1-NE 3.5Å; E485-R524 PolarHBondContact OE1-NE 2.81Å; E485-R524 IonicContact OE1-NH2 3.87Å; E485-R524 PolarHBondContact OE1-NH2 3.18Å; E485-R524 IonicContact OE2-CZ 2.85Å; E485-R524 IonicContact OE2-NH2 2.78Å; E485-R524 PolarHBondContact OE2-NH2 3.03Å; L518-R524 VanDerWaalsContact CD2-O 3.28Å; L518-R524 WeakPolarHBondContact CD2-O 2.97Å; F521-R524 HydrophobicContact CB-CB 3.88Å; F521-R524 HydrophobicContact CB-CG 3.79Å; F521-R524 HydrophobicContact CD1-CG 4.44Å; F521-R524 WeakPolarHBondContact O-CB 2.91Å; F521-R524 PolarHBondContact O-N 3.45Å; F521-R524 VanDerWaalsContact O-N 3.13Å; P522-R524 PolarHBondContact O-N 3.08Å; P522-R524 VanDerWaalsContact O-N 3.1Å; R524-L529 HydrophobicContact CB-CD2 4.18Å; R524-L529 HydrophobicContact CB-CG 4.18Å
525	S	70.1	Confident	75.7	Confident	53 Å²	53	49.2 Å²	49.2	37%	0.371	29%	0.287	S	S	.	.			trans	-94.5	152.9	171.4	73.9	0	0	0	0	111.8	H527 S528 L529	S525-H527 PolarHBondContact O-N 3.3Å; S525-H527 VanDerWaalsContact O-N 3.08Å; S525-S528 WeakPolarHBondContact O-CA 3.4Å; S525-S528 VanDerWaalsContact O-CB 3.31Å; S525-S528 WeakPolarHBondContact O-CB 3.4Å; S525-S528 PolarHBondContact O-N 2.96Å; S525-S528 WeakPolarHBondContact OG-CB 3.03Å; S525-S528 PolarHBondContact OG-N 3.12Å; S525-S528 VanDerWaalsContact OG-N 3.16Å; S525-L529 PolarHBondContact O-N 3.2Å
526	A	70.9	Confident	76.2	Confident	13 Å²	13	46.1 Å²	46.1	11%	0.107	27%	0.268	C	S	.	.	H	α-helix	trans	-59.9	-23.5	177.6	0	0	0	0	0	112.9	L511 F514 T515 L518 Q530	L511-A526 HydrophobicContact CD2-CB 3.98Å; F514-A526 HydrophobicContact CB-CB 3.94Å; F514-A526 VanDerWaalsContact CB-O 3.26Å; F514-A526 WeakPolarHBondContact CB-O 3.08Å; F514-A526 WeakPolarHBondContact O-CB 3.13Å; T515-A526 HydrophobicContact CG2-CB 3.92Å; L518-A526 HydrophobicContact CD1-CB 4.5Å; L518-A526 HydrophobicContact CD2-CB 4.27Å; L518-A526 HydrophobicContact CG-CB 4.47Å; A526-Q530 WeakPolarHBondContact O-CB 3.17Å; A526-Q530 PolarHBondContact O-N 2.93Å; A526-Q530 VanDerWaalsContact O-N 3.13Å
527	H	66.7	Low	76.4	Confident	64 Å²	64	43.4 Å²	43.4	30%	0.296	25%	0.251	S	S	.	.	H	α-helix	trans	-79	-35.5	172.5	-167.5	53.6	0	0	0	112.5	R468 S525 Q530 S531	R468-H527 PolarHBondContact NH2-CD2 2.69Å; R468-H527 VanDerWaalsContact NH2-CD2 3.28Å; R468-H527 PolarHBondContact NH2-CE1 3.22Å; R468-H527 PolarHBondContact NH2-NE2 2.82Å; S525-H527 PolarHBondContact O-N 3.3Å; S525-H527 VanDerWaalsContact O-N 3.08Å; H527-Q530 PolarHBondContact O-N 2.76Å; H527-S531 WeakPolarHBondContact O-CB 3.14Å; H527-S531 PolarHBondContact O-N 2.93Å
528	S	73.9	Confident	76.1	Confident	9 Å²	9	51.8 Å²	51.8	6%	0.063	28%	0.282	C	S	.	.	H	α-helix	trans	-63.5	-49.4	172.2	-165.8	0	0	0	0	110.8	W481 S525 Q530 S531 R532	W481-S528 WeakPolarHBondContact CZ2-OG 3.49Å; S525-S528 WeakPolarHBondContact O-CA 3.4Å; S525-S528 VanDerWaalsContact O-CB 3.31Å; S525-S528 WeakPolarHBondContact O-CB 3.4Å; S525-S528 PolarHBondContact O-N 2.96Å; S525-S528 WeakPolarHBondContact OG-CB 3.03Å; S525-S528 PolarHBondContact OG-N 3.12Å; S525-S528 VanDerWaalsContact OG-N 3.16Å; S528-Q530 VanDerWaalsContact C-N 3.35Å; S528-Q530 PolarHBondContact O-N 3.35Å; S528-S531 WeakPolarHBondContact O-CB 3.17Å; S528-S531 PolarHBondContact O-N 2.94Å; S528-R532 WeakPolarHBondContact O-CB 3.13Å; S528-R532 PolarHBondContact O-N 3.03Å
529	L	80.9	Confident	76	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-57.3	-44.3	173.6	-63.3	166.3	0	0	0	112	W481 L489 F514 L517 L518 F521 R524 S525 S531 R532 F533	W481-L529 HydrophobicContact CH2-CD2 3.87Å; W481-L529 HydrophobicContact CZ3-CD2 4.24Å; L489-L529 HydrophobicContact CD1-CB 4.22Å; L489-L529 HydrophobicContact CD1-CD2 3.89Å; L489-L529 HydrophobicContact CD2-CD2 4.36Å; F514-L529 HydrophobicContact CB-CB 4.28Å; F514-L529 HydrophobicContact CD1-CB 3.66Å; F514-L529 HydrophobicContact CE1-CB 4.47Å; F514-L529 HydrophobicContact CG-CB 4.32Å; L517-L529 HydrophobicContact CB-CD1 4.19Å; L518-L529 HydrophobicContact CD2-CD1 4.2Å; F521-L529 HydrophobicContact CB-CD1 4.23Å; F521-L529 HydrophobicContact CB-CD2 3.78Å; F521-L529 HydrophobicContact CD1-CD2 3.8Å; F521-L529 HydrophobicContact CD2-CD1 4.32Å; F521-L529 HydrophobicContact CD2-CD2 3.66Å; F521-L529 HydrophobicContact CE1-CD2 4.3Å; F521-L529 HydrophobicContact CE2-CD2 4.19Å; F521-L529 HydrophobicContact CG-CD1 4.47Å; F521-L529 HydrophobicContact CG-CD2 3.45Å; F521-L529 VanDerWaalsContact CG-CD2 3.45Å; F521-L529 HydrophobicContact CZ-CD2 4.49Å; R524-L529 HydrophobicContact CB-CD2 4.18Å; R524-L529 HydrophobicContact CB-CG 4.18Å; S525-L529 PolarHBondContact O-N 3.2Å; L529-S531 PolarHBondContact O-N 3.41Å; L529-R532 PolarHBondContact O-N 2.69Å; L529-F533 WeakPolarHBondContact O-CB 3.14Å; L529-F533 PolarHBondContact O-N 3.45Å
530	Q	78.4	Confident	76	Confident	21 Å²	21	44.7 Å²	44.7	10%	0.098	24%	0.237	C	C	.	.	H	α-helix	trans	-64.2	-38.2	175.4	-170.5	-170.8	75.5	0	0	112.5	P509 F514 A526 H527 S528 K534	P509-Q530 PolarHBondContact O-NE2 3.5Å; F514-Q530 HydrophobicContact CD1-CB 4.37Å; F514-Q530 HydrophobicContact CD2-CB 3.59Å; F514-Q530 HydrophobicContact CD2-CG 3.8Å; F514-Q530 HydrophobicContact CE1-CB 4.47Å; F514-Q530 HydrophobicContact CE2-CB 3.72Å; F514-Q530 HydrophobicContact CE2-CG 3.53Å; F514-Q530 HydrophobicContact CG-CB 3.93Å; F514-Q530 HydrophobicContact CZ-CB 4.16Å; F514-Q530 HydrophobicContact CZ-CG 4.15Å; A526-Q530 WeakPolarHBondContact O-CB 3.17Å; A526-Q530 PolarHBondContact O-N 2.93Å; A526-Q530 VanDerWaalsContact O-N 3.13Å; H527-Q530 PolarHBondContact O-N 2.76Å; S528-Q530 VanDerWaalsContact C-N 3.35Å; S528-Q530 PolarHBondContact O-N 3.35Å; Q530-K534 HydrophobicContact CG-CD 4.17Å; Q530-K534 WeakPolarHBondContact O-CB 3.37Å; Q530-K534 WeakPolarHBondContact O-CD 3.31Å; Q530-K534 WeakPolarHBondContact O-CG 3.48Å; Q530-K534 PolarHBondContact O-N 2.83Å; Q530-K534 VanDerWaalsContact O-N 3.13Å
531	S	72.7	Confident	75.8	Confident	54 Å²	54	40.5 Å²	40.5	38%	0.378	23%	0.226	S	C	.	.	H	α-helix	trans	-64.8	-50	176.5	-167.5	0	0	0	0	110.5	H527 S528 L529 K534 T535	H527-S531 WeakPolarHBondContact O-CB 3.14Å; H527-S531 PolarHBondContact O-N 2.93Å; S528-S531 WeakPolarHBondContact O-CB 3.17Å; S528-S531 PolarHBondContact O-N 2.94Å; L529-S531 PolarHBondContact O-N 3.41Å; S531-K534 WeakPolarHBondContact O-CB 3.39Å; S531-K534 PolarHBondContact O-N 2.85Å; S531-T535 PolarHBondContact O-N 3.01Å; S531-T535 PolarHBondContact O-OG1 2.87Å
532	R	81.3	Confident	75.5	Confident	18 Å²	18	41.4 Å²	41.4	7%	0.068	23%	0.231	C	C	.	.	H	α-helix	trans	-62.8	-46.9	-179.2	-170.4	68.1	179.8	-161.7	0.9	112.3	W481 D486 L489 S528 L529 K534 T535 L536	W481-R532 HydrophobicContact CD2-CB 4.36Å; W481-R532 HydrophobicContact CD2-CG 3.71Å; W481-R532 HydrophobicContact CE3-CB 4.48Å; W481-R532 HydrophobicContact CE3-CG 3.78Å; W481-R532 HydrophobicContact CG-CG 4.38Å; W481-R532 VanDerWaalsContact CG-CZ 3.42Å; W481-R532 HydrophobicContact CH2-CB 3.69Å; W481-R532 HydrophobicContact CH2-CG 3.9Å; W481-R532 HydrophobicContact CZ2-CB 3.49Å; W481-R532 VanDerWaalsContact CZ2-CB 3.49Å; W481-R532 HydrophobicContact CZ2-CG 3.8Å; W481-R532 HydrophobicContact CZ3-CB 4.19Å; W481-R532 HydrophobicContact CZ3-CG 3.89Å; D486-R532 IonicContact OD1-CZ 2.74Å; D486-R532 IonicContact OD1-NE 3.16Å; D486-R532 PolarHBondContact OD1-NE 3.08Å; D486-R532 IonicContact OD1-NH2 3.98Å; D486-R532 PolarHBondContact OD1-NH2 3.1Å; D486-R532 IonicContact OD2-CZ 3.71Å; D486-R532 IonicContact OD2-NE 3.56Å; D486-R532 IonicContact OD2-NH2 3.67Å; D486-R532 PolarHBondContact OD2-NH2 3.35Å; L489-R532 HydrophobicContact CD2-CB 3.68Å; L489-R532 HydrophobicContact CD2-CG 3.7Å; S528-R532 WeakPolarHBondContact O-CB 3.13Å; S528-R532 PolarHBondContact O-N 3.03Å; L529-R532 PolarHBondContact O-N 2.69Å; R532-K534 VanDerWaalsContact C-N 3.33Å; R532-K534 PolarHBondContact O-N 2.78Å; R532-T535 CarbonylContact O-C 3.58Å; R532-T535 WeakPolarHBondContact O-CA 3.49Å; R532-T535 WeakPolarHBondContact O-CB 3.09Å; R532-T535 PolarHBondContact O-N 3.38Å; R532-L536 HydrophobicContact CG-CD1 4.27Å; R532-L536 PolarHBondContact O-N 2.93Å
533	F	83.1	Confident	75.7	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.009	20%	0.198	C	C	.	.	H	α-helix	trans	-61.6	-39.4	175.4	-178.8	-93.8	0	0	0	112.3	L489 Y490 V493 W505 P509 F514 L529 T535 L536 R537	L489-F533 HydrophobicContact CD2-CB 4.28Å; L489-F533 HydrophobicContact CG-CB 4.31Å; Y490-F533 HydrophobicContact CD2-CD2 4.03Å; Y490-F533 AromaticContact CD2-CE2 3.72Å; Y490-F533 HydrophobicContact CD2-CE2 3.72Å; Y490-F533 HydrophobicContact CE2-CD2 4.44Å; Y490-F533 AromaticContact CE2-CE2 3.87Å; Y490-F533 HydrophobicContact CE2-CE2 3.87Å; Y490-F533 HydrophobicContact CE2-CZ 4.43Å; Y490-F533 HydrophobicContact CG-CE2 4.33Å; V493-F533 HydrophobicContact CB-CD2 3.74Å; V493-F533 HydrophobicContact CB-CE2 3.6Å; V493-F533 HydrophobicContact CB-CG 4.39Å; V493-F533 HydrophobicContact CB-CZ 4.16Å; V493-F533 HydrophobicContact CG1-CD1 4.08Å; V493-F533 HydrophobicContact CG1-CD2 3.75Å; V493-F533 HydrophobicContact CG1-CE1 3.78Å; V493-F533 HydrophobicContact CG1-CE2 3.42Å; V493-F533 VanDerWaalsContact CG1-CE2 3.42Å; V493-F533 HydrophobicContact CG1-CG 4.08Å; V493-F533 HydrophobicContact CG1-CZ 3.43Å; V493-F533 VanDerWaalsContact CG1-CZ 3.43Å; V493-F533 HydrophobicContact CG2-CD2 3.85Å; V493-F533 HydrophobicContact CG2-CE2 4.25Å; V493-F533 HydrophobicContact CG2-CG 4.21Å; W505-F533 HydrophobicContact CZ3-CE1 4.07Å; P509-F533 HydrophobicContact CG-CD1 4.24Å; P509-F533 HydrophobicContact CG-CE1 4.19Å; F514-F533 HydrophobicContact CE1-CB 3.84Å; F514-F533 HydrophobicContact CE1-CG 4.33Å; F514-F533 HydrophobicContact CZ-CB 4.01Å; F514-F533 HydrophobicContact CZ-CD1 4.15Å; F514-F533 HydrophobicContact CZ-CG 4.23Å; L529-F533 WeakPolarHBondContact O-CB 3.14Å; L529-F533 PolarHBondContact O-N 3.45Å; F533-T535 PolarHBondContact O-N 3.15Å; F533-L536 PolarHBondContact O-N 3.2Å; F533-R537 HydrophobicContact CE1-CB 4.44Å; F533-R537 VanDerWaalsContact O-CB 3.24Å; F533-R537 WeakPolarHBondContact O-CB 3.45Å; F533-R537 PolarHBondContact O-N 3.18Å
534	K	76.6	Confident	76	Confident	73 Å²	73	35.8 Å²	35.8	32%	0.317	17%	0.174	S	C	.	.	H	α-helix	trans	-62.5	-29.8	173.4	-77.4	168.2	178.3	171.3	0	112.6	Q530 S531 R532 R538	Q530-K534 HydrophobicContact CG-CD 4.17Å; Q530-K534 WeakPolarHBondContact O-CB 3.37Å; Q530-K534 WeakPolarHBondContact O-CD 3.31Å; Q530-K534 WeakPolarHBondContact O-CG 3.48Å; Q530-K534 PolarHBondContact O-N 2.83Å; Q530-K534 VanDerWaalsContact O-N 3.13Å; S531-K534 WeakPolarHBondContact O-CB 3.39Å; S531-K534 PolarHBondContact O-N 2.85Å; R532-K534 VanDerWaalsContact C-N 3.33Å; R532-K534 PolarHBondContact O-N 2.78Å; K534-R538 WeakPolarHBondContact O-CG 2.78Å; K534-R538 PolarHBondContact O-N 3.32Å
535	T	77.5	Confident	75.7	Confident	44 Å²	44	37.8 Å²	37.8	27%	0.27	19%	0.186	S	C	.	.	H	α-helix	trans	-77.1	-48	175.6	-70.6	0	0	0	0	111.3	S531 R532 F533 R537 R538 W539	S531-T535 PolarHBondContact O-N 3.01Å; S531-T535 PolarHBondContact O-OG1 2.87Å; R532-T535 CarbonylContact O-C 3.58Å; R532-T535 WeakPolarHBondContact O-CA 3.49Å; R532-T535 WeakPolarHBondContact O-CB 3.09Å; R532-T535 PolarHBondContact O-N 3.38Å; F533-T535 PolarHBondContact O-N 3.15Å; T535-R537 VanDerWaalsContact C-N 3.31Å; T535-R537 PolarHBondContact O-N 3.15Å; T535-R538 WeakPolarHBondContact O-CA 3.29Å; T535-R538 WeakPolarHBondContact O-CB 3.33Å; T535-R538 PolarHBondContact O-N 3.21Å; T535-W539 PolarHBondContact O-N 3.34Å
536	L	82.2	Confident	75.6	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-56.1	-41.2	170.4	-67.4	167.4	0	0	0	112.9	D486 L489 Y490 R532 F533 R538 W539 A540	D486-L536 HydrophobicContact CB-CD1 4.08Å; D486-L536 HydrophobicContact CB-CD2 3.98Å; L489-L536 HydrophobicContact CD2-CD1 4.27Å; Y490-L536 HydrophobicContact CD2-CB 3.66Å; Y490-L536 HydrophobicContact CD2-CD1 4.25Å; Y490-L536 HydrophobicContact CE2-CB 3.88Å; R532-L536 HydrophobicContact CG-CD1 4.27Å; R532-L536 PolarHBondContact O-N 2.93Å; F533-L536 PolarHBondContact O-N 3.2Å; L536-R538 PolarHBondContact O-N 3.45Å; L536-W539 WeakPolarHBondContact O-CB 3.39Å; L536-W539 PolarHBondContact O-N 3.43Å; L536-W539 VanDerWaalsContact O-N 3.12Å; L536-A540 PolarHBondContact O-N 3.06Å
537	R	79.6	Confident	75.6	Confident	38 Å²	38	36.8 Å²	36.8	14%	0.143	17%	0.172	C	C	.	.	H	α-helix	trans	-62.4	-28.6	174.9	-163.9	73.9	-175.9	-170.5	12.2	112.9	F533 T535 V541 D628	F533-R537 HydrophobicContact CE1-CB 4.44Å; F533-R537 VanDerWaalsContact O-CB 3.24Å; F533-R537 WeakPolarHBondContact O-CB 3.45Å; F533-R537 PolarHBondContact O-N 3.18Å; T535-R537 VanDerWaalsContact C-N 3.31Å; T535-R537 PolarHBondContact O-N 3.15Å; R537-V541 WeakPolarHBondContact O-CG2 3.36Å; R537-D628 VanDerWaalsContact CZ-CG 3.42Å; R537-D628 IonicContact CZ-OD1 3.9Å; R537-D628 IonicContact CZ-OD2 2.96Å; R537-D628 IonicContact NE-OD1 2.77Å; R537-D628 IonicContact NH1-OD1 2.81Å; R537-D628 PolarHBondContact NH1-OD1 3.49Å; R537-D628 IonicContact NH1-OD2 2.86Å; R537-D628 PolarHBondContact NH1-OD2 3.47Å; R537-D628 IonicContact NH2-OD1 2.83Å; R537-D628 PolarHBondContact NH2-OD1 2.97Å; R537-D628 IonicContact NH2-OD2 2.9Å; R537-D628 PolarHBondContact NH2-OD2 3.18Å
538	R	73.5	Confident	75.7	Confident	175 Å²	175	37.2 Å²	37.2	66%	0.66	17%	0.174	S	C	*	.	H	α-helix	trans	-78.6	-40.8	172.1	-71.3	165.9	172.4	-176.7	-3.9	111.1	K534 T535 L536 V541 L542	K534-R538 WeakPolarHBondContact O-CG 2.78Å; K534-R538 PolarHBondContact O-N 3.32Å; T535-R538 WeakPolarHBondContact O-CA 3.29Å; T535-R538 WeakPolarHBondContact O-CB 3.33Å; T535-R538 PolarHBondContact O-N 3.21Å; L536-R538 PolarHBondContact O-N 3.45Å; R538-V541 PolarHBondContact O-N 3.2Å; R538-L542 WeakPolarHBondContact O-CB 3.37Å; R538-L542 WeakPolarHBondContact O-CG 3.46Å; R538-L542 PolarHBondContact O-N 2.93Å
539	W	76.5	Confident	75.2	Confident	25 Å²	25	41.9 Å²	41.9	10%	0.095	19%	0.194	C	C	.	.	H	α-helix	trans	-55.2	-52.8	174.5	-66	133.3	0	0	0	111.6	T535 L536 V541 L542 W543 I570 L571 S574 F576 F631	T535-W539 PolarHBondContact O-N 3.34Å; L536-W539 WeakPolarHBondContact O-CB 3.39Å; L536-W539 PolarHBondContact O-N 3.43Å; L536-W539 VanDerWaalsContact O-N 3.12Å; W539-V541 VanDerWaalsContact C-N 3.33Å; W539-V541 PolarHBondContact O-N 3.08Å; W539-L542 PolarHBondContact O-N 2.77Å; W539-W543 WeakPolarHBondContact O-CB 3.48Å; W539-W543 PolarHBondContact O-N 2.63Å; W539-I570 HydrophobicContact CE3-CG2 4.1Å; W539-I570 HydrophobicContact CH2-CB 4.19Å; W539-I570 HydrophobicContact CH2-CG2 3.52Å; W539-I570 WeakPolarHBondContact CH2-O 3.46Å; W539-I570 HydrophobicContact CZ3-CB 4.11Å; W539-I570 HydrophobicContact CZ3-CG2 3.15Å; W539-I570 WeakPolarHBondContact CZ3-O 3.44Å; W539-L571 HydrophobicContact CE3-CD2 4.04Å; W539-L571 HydrophobicContact CZ3-CD2 4.36Å; W539-S574 VanDerWaalsContact CH2-CB 3.47Å; W539-S574 VanDerWaalsContact CZ2-CB 3.46Å; W539-F576 HydrophobicContact CB-CE1 3.93Å; W539-F576 HydrophobicContact CB-CZ 4.36Å; W539-F576 AromaticContact CD1-CE1 3.92Å; W539-F576 HydrophobicContact CD2-CE1 4.13Å; W539-F576 AromaticContact CG-CE1 3.77Å; W539-F576 HydrophobicContact CG-CE1 3.77Å; W539-F576 HydrophobicContact CG-CZ 4.5Å; W539-F631 HydrophobicContact CB-CE2 4.45Å; W539-F631 HydrophobicContact CB-CZ 4.04Å
540	A	78.3	Confident	74.2	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-54	-46	177.3	0	0	0	0	0	112.9	Y490 L536 Y544 I627 F631	Y490-A540 WeakPolarHBondContact OH-CB 3.49Å; L536-A540 PolarHBondContact O-N 3.06Å; A540-Y544 WeakPolarHBondContact O-CB 3.39Å; A540-Y544 PolarHBondContact O-N 2.74Å; A540-I627 HydrophobicContact CB-CG2 4.23Å; A540-F631 HydrophobicContact CB-CB 3.79Å; A540-F631 HydrophobicContact CB-CD1 3.58Å; A540-F631 HydrophobicContact CB-CD2 3.96Å; A540-F631 HydrophobicContact CB-CE1 4.08Å; A540-F631 HydrophobicContact CB-CE2 4.44Å; A540-F631 HydrophobicContact CB-CG 3.49Å; A540-F631 VanDerWaalsContact CB-CG 3.49Å; A540-F631 HydrophobicContact CB-CZ 4.49Å
541	V	76.2	Confident	73.3	Confident	56 Å²	56	46.2 Å²	46.2	34%	0.339	22%	0.22	S	C	.	.	H	α-helix	trans	-69.9	-40.2	179.9	171.6	0	0	0	0	112.3	R537 R538 W539 N545 I627	R537-V541 WeakPolarHBondContact O-CG2 3.36Å; R538-V541 PolarHBondContact O-N 3.2Å; W539-V541 VanDerWaalsContact C-N 3.33Å; W539-V541 PolarHBondContact O-N 3.08Å; V541-N545 VanDerWaalsContact O-CB 3.29Å; V541-N545 WeakPolarHBondContact O-CB 3.35Å; V541-N545 PolarHBondContact O-N 2.74Å; V541-N545 PolarHBondContact O-ND2 2.89Å; V541-N545 VanDerWaalsContact O-ND2 3.15Å; V541-I627 HydrophobicContact CG2-CG2 4.24Å
542	L	72.8	Confident	72.2	Confident	23 Å²	23	46.8 Å²	46.8	12%	0.12	23%	0.234	C	C	.	.	H	α-helix	trans	-67.6	-45.8	177.4	-74.4	175.7	0	0	0	111.7	R538 W539 N545 L546 L563 E567 I570	R538-L542 WeakPolarHBondContact O-CB 3.37Å; R538-L542 WeakPolarHBondContact O-CG 3.46Å; R538-L542 PolarHBondContact O-N 2.93Å; W539-L542 PolarHBondContact O-N 2.77Å; L542-N545 PolarHBondContact O-N 2.97Å; L542-L546 WeakPolarHBondContact O-CB 3.48Å; L542-L546 WeakPolarHBondContact O-CG 3.35Å; L542-L546 PolarHBondContact O-N 3.12Å; L542-L563 HydrophobicContact CD2-CD2 4.44Å; L542-E567 HydrophobicContact CD2-CB 4.1Å; L542-E567 HydrophobicContact CD2-CG 4.23Å; L542-I570 HydrophobicContact CD1-CG2 3.61Å
543	W	76.5	Confident	70.3	Confident	5 Å²	5	48.2 Å²	48.2	2%	0.019	26%	0.255	C	S	.	.	H	α-helix	trans	-61.7	-48.9	176.6	173.7	75.4	0	0	0	111.6	W539 N545 L546 R547 L571 L600 W603 D630 F631 F634	W539-W543 WeakPolarHBondContact O-CB 3.48Å; W539-W543 PolarHBondContact O-N 2.63Å; W543-N545 VanDerWaalsContact C-N 3.33Å; W543-N545 PolarHBondContact O-N 2.82Å; W543-L546 PolarHBondContact O-N 3.1Å; W543-R547 WeakPolarHBondContact O-CB 3.33Å; W543-R547 PolarHBondContact O-N 3.28Å; W543-L571 HydrophobicContact CB-CD2 4.09Å; W543-L600 PolarHBondContact NE1-O 2.77Å; W543-W603 AromaticContact CH2-CE3 3.79Å; W543-W603 HydrophobicContact CH2-CE3 3.79Å; W543-W603 AromaticContact CH2-CZ3 3.73Å; W543-W603 HydrophobicContact CH2-CZ3 3.73Å; W543-W603 AromaticContact CZ2-CE3 3.69Å; W543-W603 HydrophobicContact CZ2-CE3 3.69Å; W543-W603 HydrophobicContact CZ2-CZ3 4.13Å; W543-D630 HydrophobicContact CH2-CB 4.21Å; W543-D630 HydrophobicContact CZ3-CB 3.84Å; W543-F631 HydrophobicContact CD2-CD2 4.44Å; W543-F631 HydrophobicContact CE3-CB 4.45Å; W543-F631 AromaticContact CE3-CD2 3.91Å; W543-F631 HydrophobicContact CE3-CD2 3.91Å; W543-F631 HydrophobicContact CZ3-CB 4.26Å; W543-F631 HydrophobicContact CZ3-CD2 4.33Å; W543-F634 HydrophobicContact CH2-CB 3.88Å; W543-F634 HydrophobicContact CH2-CG 4.34Å; W543-F634 HydrophobicContact CZ2-CB 4.11Å; W543-F634 HydrophobicContact CZ2-CD2 4.19Å; W543-F634 HydrophobicContact CZ2-CG 4.11Å; W543-F634 HydrophobicContact CZ3-CB 4.48Å
544	Y	74.1	Confident	68.1	Low	58 Å²	58	51.9 Å²	51.9	23%	0.227	27%	0.274	C	S	.	.	H	α-helix	trans	-60.4	-40	176.6	-178.9	-89.8	0	0	0	112.7	A540 K548 I627	A540-Y544 WeakPolarHBondContact O-CB 3.39Å; A540-Y544 PolarHBondContact O-N 2.74Å; Y544-K548 HydrophobicContact CE1-CD 4.46Å; Y544-K548 VanDerWaalsContact O-CB 3.29Å; Y544-K548 WeakPolarHBondContact O-CB 3.14Å; Y544-K548 PolarHBondContact O-N 3.37Å; Y544-I627 HydrophobicContact CD1-CD1 3.78Å; Y544-I627 HydrophobicContact CD1-CG1 3.69Å; Y544-I627 HydrophobicContact CD2-CB 4.36Å; Y544-I627 HydrophobicContact CD2-CG1 3.96Å; Y544-I627 HydrophobicContact CD2-CG2 4.49Å; Y544-I627 HydrophobicContact CE1-CD1 4.05Å; Y544-I627 HydrophobicContact CE1-CG1 3.85Å; Y544-I627 HydrophobicContact CE2-CG1 4.11Å; Y544-I627 HydrophobicContact CG-CB 4.28Å; Y544-I627 HydrophobicContact CG-CD1 4.24Å; Y544-I627 HydrophobicContact CG-CG1 3.75Å; Y544-I627 HydrophobicContact CG-CG2 4.07Å
545	N	68	Low	66.1	Low	62 Å²	62	57.5 Å²	57.5	33%	0.332	30%	0.302	S	S	.	.	H	α-helix	trans	-65.4	-41.6	176.1	-74.4	-20.8	0	0	0	112.2	V541 L542 W543 K548 Q549	V541-N545 VanDerWaalsContact O-CB 3.29Å; V541-N545 WeakPolarHBondContact O-CB 3.35Å; V541-N545 PolarHBondContact O-N 2.74Å; V541-N545 PolarHBondContact O-ND2 2.89Å; V541-N545 VanDerWaalsContact O-ND2 3.15Å; L542-N545 PolarHBondContact O-N 2.97Å; W543-N545 VanDerWaalsContact C-N 3.33Å; W543-N545 PolarHBondContact O-N 2.82Å; N545-K548 PolarHBondContact O-N 2.94Å; N545-Q549 WeakPolarHBondContact O-CG 3.32Å; N545-Q549 PolarHBondContact O-N 2.85Å
546	L	68.1	Low	63.9	Low	9 Å²	9	62.2 Å²	62.2	5%	0.047	33%	0.325	C	S	.	.	H	α-helix	trans	-69.9	-42	177.8	-76.3	163.7	0	0	0	111.7	L542 W543 K548 Q549 I550 L563 Q568 L571	L542-L546 WeakPolarHBondContact O-CB 3.48Å; L542-L546 WeakPolarHBondContact O-CG 3.35Å; L542-L546 PolarHBondContact O-N 3.12Å; W543-L546 PolarHBondContact O-N 3.1Å; L546-K548 PolarHBondContact O-N 3.45Å; L546-Q549 PolarHBondContact O-N 3.16Å; L546-I550 WeakPolarHBondContact O-CG1 3.3Å; L546-I550 PolarHBondContact O-N 3.22Å; L546-I550 VanDerWaalsContact O-N 3.09Å; L546-L563 HydrophobicContact CD1-CD2 4.35Å; L546-L563 HydrophobicContact CD2-CD2 3.91Å; L546-L563 HydrophobicContact CG-CD2 3.96Å; L546-Q568 HydrophobicContact CD1-CG 4.49Å; L546-Q568 HydrophobicContact CD2-CG 4.07Å; L546-L571 HydrophobicContact CD1-CD1 3.51Å; L546-L571 HydrophobicContact CD1-CG 4.26Å
547	R	71.1	Confident	61.4	Low	36 Å²	36	67.3 Å²	67.3	14%	0.136	36%	0.361	C	S	.	.	H	α-helix	trans	-54.1	-52	169.6	-166	-176	-167.7	-150.5	10.7	109.9	W543 Q549 I550 T551 W603 D630	W543-R547 WeakPolarHBondContact O-CB 3.33Å; W543-R547 PolarHBondContact O-N 3.28Å; R547-Q549 VanDerWaalsContact C-N 3.32Å; R547-Q549 PolarHBondContact O-N 3.3Å; R547-I550 PolarHBondContact O-N 2.93Å; R547-T551 HydrophobicContact CG-CG2 4.43Å; R547-T551 WeakPolarHBondContact O-CG2 3.48Å; R547-T551 PolarHBondContact O-N 3.09Å; R547-T551 PolarHBondContact O-OG1 3.36Å; R547-W603 PolarHBondContact NE-O 2.95Å; R547-W603 PolarHBondContact NH2-O 3.37Å; R547-D630 IonicContact NH1-OD2 3.4Å; R547-D630 PolarHBondContact NH1-OD2 3.23Å
548	K	68.4	Low	59.1	Low	74 Å²	74	73.4 Å²	73.4	32%	0.322	39%	0.389	S	S	.	.	H	α-helix	trans	-63.8	-31.5	179.6	-169	171.4	-175.8	-174.9	0	113.8	Y544 N545 L546 I550 G552 G553 L554	Y544-K548 HydrophobicContact CE1-CD 4.46Å; Y544-K548 VanDerWaalsContact O-CB 3.29Å; Y544-K548 WeakPolarHBondContact O-CB 3.14Å; Y544-K548 PolarHBondContact O-N 3.37Å; N545-K548 PolarHBondContact O-N 2.94Å; L546-K548 PolarHBondContact O-N 3.45Å; K548-I550 VanDerWaalsContact C-N 3.35Å; K548-G552 PolarHBondContact O-N 3.14Å; K548-G553 WeakPolarHBondContact CE-O 3.32Å; K548-G553 PolarHBondContact NZ-O 2.72Å; K548-L554 HydrophobicContact CD-CD1 4.4Å
549	Q	62.6	Low	56.9	Low	106 Å²	106	71.5 Å²	71.5	50%	0.495	39%	0.392	S	S	.	.	H	α-helix	trans	-68.4	-32.4	172.5	-79.4	-177.7	-28.1	0	0	112.8	N545 L546 R547	N545-Q549 WeakPolarHBondContact O-CG 3.32Å; N545-Q549 PolarHBondContact O-N 2.85Å; L546-Q549 PolarHBondContact O-N 3.16Å; R547-Q549 VanDerWaalsContact C-N 3.32Å; R547-Q549 PolarHBondContact O-N 3.3Å
550	I	61.3	Low	54.6	Low	52 Å²	52	74.4 Å²	74.4	27%	0.267	42%	0.415	S	S	.	.	H	α-helix	trans	-82.8	-33	178.7	-64.9	168	0	0	0	111.3	L546 R547 K548 G552 T601 L699	L546-I550 WeakPolarHBondContact O-CG1 3.3Å; L546-I550 PolarHBondContact O-N 3.22Å; L546-I550 VanDerWaalsContact O-N 3.09Å; R547-I550 PolarHBondContact O-N 2.93Å; K548-I550 VanDerWaalsContact C-N 3.35Å; I550-G552 VanDerWaalsContact C-N 3.31Å; I550-G552 PolarHBondContact O-N 2.97Å; I550-T601 HydrophobicContact CD1-CG2 3.64Å; I550-L699 HydrophobicContact CD1-CD1 3.93Å
551	T	58.5	Low	52.3	Low	60 Å²	60	81.1 Å²	81.1	37%	0.368	45%	0.45	S	S	.	.	S	Bend	trans	-87	13.7	179.1	68.5	0	0	0	0	114.7	R547 G553 F696	R547-T551 HydrophobicContact CG-CG2 4.43Å; R547-T551 WeakPolarHBondContact O-CG2 3.48Å; R547-T551 PolarHBondContact O-N 3.09Å; R547-T551 PolarHBondContact O-OG1 3.36Å; T551-G553 PolarHBondContact O-N 2.81Å; T551-F696 HydrophobicContact CG2-CE1 3.95Å
552	G	49.9	Very low	50.6	Low	66 Å²	66	83.3 Å²	83.3	68%	0.68	47%	0.468	S	S	*	.			trans	68.2	-17.2	166	0	0	0	0	0	119.3	K548 I550 L554	K548-G552 PolarHBondContact O-N 3.14Å; I550-G552 VanDerWaalsContact C-N 3.31Å; I550-G552 PolarHBondContact O-N 2.97Å; G552-L554 VanDerWaalsContact C-N 3.33Å; G552-L554 PolarHBondContact O-N 3.33Å
553	G	42.4	Very low	49.3	Very low	49 Å²	49	85 Å²	85	51%	0.505	48%	0.477	S	S	.	.			trans	-75.7	59.7	-166	0	0	0	0	0	117	K548 T551	K548-G553 WeakPolarHBondContact CE-O 3.32Å; K548-G553 PolarHBondContact NZ-O 2.72Å; T551-G553 PolarHBondContact O-N 2.81Å
554	L	36	Very low	47.8	Very low	79 Å²	79	86.5 Å²	86.5	41%	0.414	49%	0.489	S	S	.	.			trans	-145.4	66.9	174.7	-140.6	166.9	0	0	0	113.3	K548 G552	K548-L554 HydrophobicContact CD-CD1 4.4Å; G552-L554 VanDerWaalsContact C-N 3.33Å; G552-L554 PolarHBondContact O-N 3.33Å
555	E	34.6	Very low	46.5	Very low	191 Å²	191	84.8 Å²	84.8	89%	0.893	49%	0.485	S	S	*	.			trans	-64	136.3	149.3	-65.6	-170.4	146.7	0	0	109.6
556	D	31.8	Very low	45.5	Very low	143 Å²	143	86 Å²	86	77%	0.765	49%	0.49	S	S	*	.	S	Bend	trans	53.6	147.8	170.1	-81.4	-18.2	0	0	0	123.5
557	S	30.1	Very low	44.7	Very low	107 Å²	107	88.4 Å²	88.4	75%	0.748	50%	0.501	S	S	*	.	S	Bend	trans	80.6	-2.4	158.6	79.7	0	0	0	0	121.7
558	F	30	Very low	43.8	Very low	166 Å²	166	89.5 Å²	89.5	73%	0.728	51%	0.508	S	S	*	.			trans	-129.3	121.6	166	-80.4	-78.9	0	0	0	115.1	C560	F558-C560 PolarHBondContact O-N 3.35Å
559	N	28.5	Very low	43	Very low	135 Å²	135	87.1 Å²	87.1	72%	0.722	50%	0.499	S	S	*	.			trans	-83.9	75.3	-171.5	-164.6	-31.8	0	0	0	112.2	N561	N559-N561 PolarHBondContact O-N 3.48Å; N559-N561 PolarHBondContact OD1-ND2 3.46Å
560	C	27	Very low	42.6	Very low	86 Å²	86	84.9 Å²	84.9	58%	0.581	49%	0.49	S	S	*	.			trans	-75.5	56.8	-174.3	-72.7	0	0	0	0	114.8	F558 S562	F558-C560 PolarHBondContact O-N 3.35Å; C560-S562 PolarHBondContact O-N 3.32Å
561	N	31.1	Very low	42.5	Very low	140 Å²	140	82.6 Å²	82.6	75%	0.749	48%	0.478	S	S	*	.			trans	-97.5	44	176.6	-87	-70.3	0	0	0	113.8	N559	N559-N561 PolarHBondContact O-N 3.48Å; N559-N561 PolarHBondContact OD1-ND2 3.46Å
562	S	39.5	Very low	42.4	Very low	102 Å²	102	80.5 Å²	80.5	71%	0.713	46%	0.464	S	S	*	.			trans	-169.6	83.9	165.6	60.3	0	0	0	0	113.3	C560	C560-S562 PolarHBondContact O-N 3.32Å
563	L	44.8	Very low	42.7	Very low	58 Å²	58	83.9 Å²	83.9	30%	0.304	46%	0.458	S	S	.	.			trans	-107.3	133.1	139.3	-111	78.6	0	0	0	106.6	L542 L546 E567	L542-L563 HydrophobicContact CD2-CD2 4.44Å; L546-L563 HydrophobicContact CD1-CD2 4.35Å; L546-L563 HydrophobicContact CD2-CD2 3.91Å; L546-L563 HydrophobicContact CG-CD2 3.96Å; L563-E567 HydrophobicContact CD2-CB 4.41Å; L563-E567 HydrophobicContact CG-CB 4.32Å
564	S	46.6	Very low	43.8	Very low	38 Å²	38	81.5 Å²	81.5	27%	0.266	43%	0.433	S	S	.	.			trans	-85.8	154.5	175.5	64	0	0	0	0	111	L566 E567	S564-L566 PolarHBondContact O-N 3.46Å; S564-L566 VanDerWaalsContact O-N 3.08Å; S564-L566 WeakPolarHBondContact OG-CB 3.42Å; S564-E567 WeakPolarHBondContact CB-OE2 3.45Å; S564-E567 PolarHBondContact N-OE2 3.41Å; S564-E567 WeakPolarHBondContact O-CB 3.38Å; S564-E567 PolarHBondContact O-N 3.12Å; S564-E567 PolarHBondContact OG-N 2.88Å; S564-E567 PolarHBondContact OG-OE2 2.89Å
565	P	46.1	Very low	45.1	Very low	22 Å²	22	79.8 Å²	79.8	14%	0.143	43%	0.427	C	S	.	.	H	α-helix	trans	-56.9	-24.8	171.3	-25.1	34.9	0	0	0	113	E567 Q568 N569	P565-E567 VanDerWaalsContact C-N 3.31Å; P565-E567 PolarHBondContact O-N 2.9Å; P565-Q568 PolarHBondContact O-N 3Å; P565-N569 PolarHBondContact O-N 2.84Å; P565-N569 VanDerWaalsContact O-N 3.14Å
566	L	47	Very low	46.6	Very low	86 Å²	86	70.9 Å²	70.9	45%	0.45	39%	0.385	S	S	.	.	H	α-helix	trans	-60.9	-39.6	173.6	-152.1	82.1	0	0	0	111.9	S564 Q568 I570	S564-L566 PolarHBondContact O-N 3.46Å; S564-L566 VanDerWaalsContact O-N 3.08Å; S564-L566 WeakPolarHBondContact OG-CB 3.42Å; L566-Q568 VanDerWaalsContact C-N 3.31Å; L566-Q568 PolarHBondContact O-N 2.78Å; L566-I570 WeakPolarHBondContact O-CB 3.31Å; L566-I570 WeakPolarHBondContact O-CD1 3.14Å; L566-I570 WeakPolarHBondContact O-CG1 3.33Å; L566-I570 PolarHBondContact O-N 3.36Å
567	E	50.8	Low	48.3	Very low	60 Å²	60	64 Å²	64	28%	0.28	35%	0.349	S	S	.	.	H	α-helix	trans	-74.6	-19.2	-179.4	-74.2	157	120.9	0	0	113.2	L542 L563 S564 P565	L542-E567 HydrophobicContact CD2-CB 4.1Å; L542-E567 HydrophobicContact CD2-CG 4.23Å; L563-E567 HydrophobicContact CD2-CB 4.41Å; L563-E567 HydrophobicContact CG-CB 4.32Å; S564-E567 WeakPolarHBondContact CB-OE2 3.45Å; S564-E567 PolarHBondContact N-OE2 3.41Å; S564-E567 WeakPolarHBondContact O-CB 3.38Å; S564-E567 PolarHBondContact O-N 3.12Å; S564-E567 PolarHBondContact OG-N 2.88Å; S564-E567 PolarHBondContact OG-OE2 2.89Å; P565-E567 VanDerWaalsContact C-N 3.31Å; P565-E567 PolarHBondContact O-N 2.9Å
568	Q	52.3	Low	50.1	Low	60 Å²	60	62.2 Å²	62.2	28%	0.28	33%	0.333	S	S	.	.	H	α-helix	trans	-80	-51.3	170.4	-68.8	176.5	-35.2	0	0	111.3	L546 P565 L566 I570 L571	L546-Q568 HydrophobicContact CD1-CG 4.49Å; L546-Q568 HydrophobicContact CD2-CG 4.07Å; P565-Q568 PolarHBondContact O-N 3Å; L566-Q568 VanDerWaalsContact C-N 3.31Å; L566-Q568 PolarHBondContact O-N 2.78Å; Q568-I570 PolarHBondContact O-N 2.68Å; Q568-L571 PolarHBondContact O-N 2.72Å; Q568-L571 VanDerWaalsContact O-N 3.12Å
569	N	51.3	Low	52.1	Low	24 Å²	24	57.4 Å²	57.4	13%	0.128	31%	0.313	C	S	.	.	H	α-helix	trans	-56.9	-32.1	174.6	-79.6	-0.8	0	0	0	112.4	P565 L571 L572 Y573 T711 H715	P565-N569 PolarHBondContact O-N 2.84Å; P565-N569 VanDerWaalsContact O-N 3.14Å; N569-L571 VanDerWaalsContact C-N 3.3Å; N569-L571 PolarHBondContact O-N 3.35Å; N569-L572 PolarHBondContact O-N 3.06Å; N569-Y573 VanDerWaalsContact O-CD2 3.27Å; N569-Y573 WeakPolarHBondContact O-CD2 3.37Å; N569-Y573 PolarHBondContact O-N 3.06Å; N569-T711 WeakPolarHBondContact OD1-CB 3.45Å; N569-T711 WeakPolarHBondContact OD1-CG2 3.4Å; N569-T711 PolarHBondContact OD1-OG1 3.02Å; N569-H715 PolarHBondContact ND2-CD2 3.2Å; N569-H715 VanDerWaalsContact ND2-CD2 3.27Å; N569-H715 PolarHBondContact ND2-NE2 2.8Å; N569-H715 VanDerWaalsContact ND2-NE2 3.13Å
570	I	55.1	Low	54.3	Low	59 Å²	59	51 Å²	51	30%	0.303	28%	0.279	S	S	.	.	H	α-helix	trans	-52.4	-43.9	176.1	-97.6	169	0	0	0	111.2	W539 L542 L566 Q568 L572 Y573 S574	W539-I570 HydrophobicContact CE3-CG2 4.1Å; W539-I570 HydrophobicContact CH2-CB 4.19Å; W539-I570 HydrophobicContact CH2-CG2 3.52Å; W539-I570 WeakPolarHBondContact CH2-O 3.46Å; W539-I570 HydrophobicContact CZ3-CB 4.11Å; W539-I570 HydrophobicContact CZ3-CG2 3.15Å; W539-I570 WeakPolarHBondContact CZ3-O 3.44Å; L542-I570 HydrophobicContact CD1-CG2 3.61Å; L566-I570 WeakPolarHBondContact O-CB 3.31Å; L566-I570 WeakPolarHBondContact O-CD1 3.14Å; L566-I570 WeakPolarHBondContact O-CG1 3.33Å; L566-I570 PolarHBondContact O-N 3.36Å; Q568-I570 PolarHBondContact O-N 2.68Å; I570-L572 PolarHBondContact O-N 3.3Å; I570-Y573 CarbonylContact O-C 3.6Å; I570-Y573 PolarHBondContact O-N 3.29Å; I570-S574 PolarHBondContact O-N 3.09Å; I570-S574 VanDerWaalsContact O-N 3.14Å
571	L	58.7	Low	56.5	Low	4 Å²	4	48.1 Å²	48.1	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-58.5	-46.9	-178.5	-81.1	-179	0	0	0	113.9	W539 W543 L546 Q568 N569 Y573 S574 A577	W539-L571 HydrophobicContact CE3-CD2 4.04Å; W539-L571 HydrophobicContact CZ3-CD2 4.36Å; W543-L571 HydrophobicContact CB-CD2 4.09Å; L546-L571 HydrophobicContact CD1-CD1 3.51Å; L546-L571 HydrophobicContact CD1-CG 4.26Å; Q568-L571 PolarHBondContact O-N 2.72Å; Q568-L571 VanDerWaalsContact O-N 3.12Å; N569-L571 VanDerWaalsContact C-N 3.3Å; N569-L571 PolarHBondContact O-N 3.35Å; L571-Y573 VanDerWaalsContact C-N 3.3Å; L571-Y573 PolarHBondContact O-N 3.38Å; L571-S574 VanDerWaalsContact O-CB 3.27Å; L571-S574 WeakPolarHBondContact O-CB 3.32Å; L571-S574 PolarHBondContact O-N 3.04Å; L571-S574 PolarHBondContact O-OG 3.03Å; L571-A577 WeakPolarHBondContact O-CB 3.25Å
572	L	56.3	Low	58.6	Low	15 Å²	15	43.6 Å²	43.6	8%	0.079	24%	0.241	C	C	.	.	H	α-helix	trans	-66.4	-31.5	-177.1	-77	165.2	0	0	0	112.8	N569 I570 A596 Y597 I708	N569-L572 PolarHBondContact O-N 3.06Å; I570-L572 PolarHBondContact O-N 3.3Å; L572-A596 HydrophobicContact CD2-CB 4.47Å; L572-Y597 HydrophobicContact CD1-CD2 4Å; L572-Y597 HydrophobicContact CD2-CD2 4.44Å; L572-Y597 HydrophobicContact CG-CD2 4.21Å; L572-I708 HydrophobicContact CD1-CD1 4.4Å; L572-I708 HydrophobicContact CD1-CG1 4.28Å
573	Y	57.5	Low	60.2	Low	137 Å²	137	41.3 Å²	41.3	54%	0.537	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	17.2	176.3	-55.9	-58.2	0	0	0	113.4	N569 I570 L571	N569-Y573 VanDerWaalsContact O-CD2 3.27Å; N569-Y573 WeakPolarHBondContact O-CD2 3.37Å; N569-Y573 PolarHBondContact O-N 3.06Å; I570-Y573 CarbonylContact O-C 3.6Å; I570-Y573 PolarHBondContact O-N 3.29Å; L571-Y573 VanDerWaalsContact C-N 3.3Å; L571-Y573 PolarHBondContact O-N 3.38Å
574	S	64.3	Low	61.7	Low	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-70.8	143	165.1	71.4	0	0	0	0	109.6	W539 I570 L571 F576 A577 T578	W539-S574 VanDerWaalsContact CH2-CB 3.47Å; W539-S574 VanDerWaalsContact CZ2-CB 3.46Å; I570-S574 PolarHBondContact O-N 3.09Å; I570-S574 VanDerWaalsContact O-N 3.14Å; L571-S574 VanDerWaalsContact O-CB 3.27Å; L571-S574 WeakPolarHBondContact O-CB 3.32Å; L571-S574 PolarHBondContact O-N 3.04Å; L571-S574 PolarHBondContact O-OG 3.03Å; S574-F576 VanDerWaalsContact C-N 3.3Å; S574-F576 PolarHBondContact O-N 2.87Å; S574-F576 VanDerWaalsContact OG-CE1 3.31Å; S574-F576 WeakPolarHBondContact OG-CE1 3.41Å; S574-F576 VanDerWaalsContact OG-CZ 3.3Å; S574-F576 WeakPolarHBondContact OG-CZ 3.21Å; S574-A577 CarbonylContact O-C 3.6Å; S574-A577 WeakPolarHBondContact O-CA 3.32Å; S574-A577 PolarHBondContact O-N 2.73Å; S574-A577 WeakPolarHBondContact OG-CB 3.22Å; S574-A577 PolarHBondContact OG-N 3.4Å; S574-T578 PolarHBondContact O-N 2.93Å
575	P	63.5	Low	63.1	Low	43 Å²	43	43.8 Å²	43.8	28%	0.279	22%	0.222	S	C	.	.	H	α-helix	trans	-64.6	-32	-172.8	-28	38.1	0	0	0	114.5	T578 Q579	P575-T578 VanDerWaalsContact CA-OG1 3.3Å; P575-T578 WeakPolarHBondContact CA-OG1 3.32Å; P575-T578 PolarHBondContact O-N 3.24Å; P575-T578 PolarHBondContact O-OG1 3.35Å; P575-Q579 PolarHBondContact O-N 3.32Å
576	F	66.3	Low	64.7	Low	3 Å²	3	49.6 Å²	49.6	1%	0.013	25%	0.252	C	S	.	.	H	α-helix	trans	-65.2	-40.2	171.9	67.8	-96.4	0	0	0	111.5	W539 S574 Q579 F580 L600 F631 F634 L638	W539-F576 HydrophobicContact CB-CE1 3.93Å; W539-F576 HydrophobicContact CB-CZ 4.36Å; W539-F576 AromaticContact CD1-CE1 3.92Å; W539-F576 HydrophobicContact CD2-CE1 4.13Å; W539-F576 AromaticContact CG-CE1 3.77Å; W539-F576 HydrophobicContact CG-CE1 3.77Å; W539-F576 HydrophobicContact CG-CZ 4.5Å; S574-F576 VanDerWaalsContact C-N 3.3Å; S574-F576 PolarHBondContact O-N 2.87Å; S574-F576 VanDerWaalsContact OG-CE1 3.31Å; S574-F576 WeakPolarHBondContact OG-CE1 3.41Å; S574-F576 VanDerWaalsContact OG-CZ 3.3Å; S574-F576 WeakPolarHBondContact OG-CZ 3.21Å; F576-Q579 PolarHBondContact O-N 2.68Å; F576-F580 WeakPolarHBondContact O-CB 2.99Å; F576-F580 PolarHBondContact O-N 2.78Å; F576-L600 HydrophobicContact CE2-CD2 4.44Å; F576-F631 HydrophobicContact CE1-CZ 4.3Å; F576-F631 HydrophobicContact CZ-CE2 4.32Å; F576-F631 HydrophobicContact CZ-CZ 4.4Å; F576-F634 HydrophobicContact CD2-CE1 4.04Å; F576-F634 HydrophobicContact CD2-CZ 4.42Å; F576-F634 AromaticContact CE2-CE1 3.72Å; F576-F634 HydrophobicContact CE2-CE1 3.72Å; F576-F634 HydrophobicContact CE2-CZ 4.15Å; F576-L638 HydrophobicContact CD2-CD1 4.12Å
577	A	67.9	Low	66.1	Low	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.6	-35.6	173.4	0	0	0	0	0	112.2	L571 S574 Q579 F580 V581 L600	L571-A577 WeakPolarHBondContact O-CB 3.25Å; S574-A577 CarbonylContact O-C 3.6Å; S574-A577 WeakPolarHBondContact O-CA 3.32Å; S574-A577 PolarHBondContact O-N 2.73Å; S574-A577 WeakPolarHBondContact OG-CB 3.22Å; S574-A577 PolarHBondContact OG-N 3.4Å; A577-Q579 VanDerWaalsContact C-N 3.34Å; A577-Q579 PolarHBondContact O-N 2.71Å; A577-F580 PolarHBondContact O-N 3.06Å; A577-V581 WeakPolarHBondContact O-CB 3.27Å; A577-V581 VanDerWaalsContact O-CG2 3.27Å; A577-V581 WeakPolarHBondContact O-CG2 2.99Å; A577-V581 PolarHBondContact O-N 2.84Å; A577-L600 HydrophobicContact CB-CD1 4.42Å
578	T	68.3	Low	67.2	Low	69 Å²	69	48.3 Å²	48.3	42%	0.423	27%	0.27	S	S	.	.	H	α-helix	trans	-67.5	-34.5	174.5	58.9	0	0	0	0	112.5	S574 P575 A582	S574-T578 PolarHBondContact O-N 2.93Å; P575-T578 VanDerWaalsContact CA-OG1 3.3Å; P575-T578 WeakPolarHBondContact CA-OG1 3.32Å; P575-T578 PolarHBondContact O-N 3.24Å; P575-T578 PolarHBondContact O-OG1 3.35Å; T578-A582 WeakPolarHBondContact O-CB 3.41Å; T578-A582 PolarHBondContact O-N 3.32Å
579	Q	71.1	Confident	68.1	Low	65 Å²	65	46.5 Å²	46.5	30%	0.304	26%	0.263	S	S	.	.	H	α-helix	trans	-69	-39.7	172.6	-171.3	172.6	-6.2	0	0	111	C483 P575 F576 A577 A582 Q583	C483-Q579 PolarHBondContact SG-NE2 3.08Å; C483-Q579 VanDerWaalsContact SG-NE2 3.36Å; C483-Q579 PolarHBondContact SG-OE1 3.42Å; P575-Q579 PolarHBondContact O-N 3.32Å; F576-Q579 PolarHBondContact O-N 2.68Å; A577-Q579 VanDerWaalsContact C-N 3.34Å; A577-Q579 PolarHBondContact O-N 2.71Å; Q579-A582 WeakPolarHBondContact O-CB 3.38Å; Q579-A582 PolarHBondContact O-N 3.42Å; Q579-Q583 WeakPolarHBondContact O-CG 3.36Å; Q579-Q583 PolarHBondContact O-N 3.4Å
580	F	74.2	Confident	68.8	Low	1 Å²	1	51.2 Å²	51.2	0%	0.004	30%	0.295	C	S	.	.	H	α-helix	trans	-67	-42.5	176.1	-177	-126.4	0	0	0	113.1	F576 A577 A582 Q583 L584 A596 I599 L638 L643 I644	F576-F580 WeakPolarHBondContact O-CB 2.99Å; F576-F580 PolarHBondContact O-N 2.78Å; A577-F580 PolarHBondContact O-N 3.06Å; F580-A582 VanDerWaalsContact C-N 3.3Å; F580-A582 PolarHBondContact O-N 2.97Å; F580-Q583 WeakPolarHBondContact O-CB 3.45Å; F580-Q583 PolarHBondContact O-N 3.14Å; F580-Q583 VanDerWaalsContact O-N 3.17Å; F580-L584 HydrophobicContact CD1-CD1 4.11Å; F580-L584 HydrophobicContact CD2-CG 4.49Å; F580-L584 HydrophobicContact CE1-CD1 3.78Å; F580-L584 HydrophobicContact CE2-CD1 4.27Å; F580-L584 HydrophobicContact CE2-CD2 4.34Å; F580-L584 HydrophobicContact CE2-CG 4.19Å; F580-L584 HydrophobicContact CZ-CD1 3.85Å; F580-L584 HydrophobicContact CZ-CD2 4.31Å; F580-L584 HydrophobicContact CZ-CG 4.22Å; F580-L584 WeakPolarHBondContact O-CG 3.3Å; F580-L584 PolarHBondContact O-N 2.86Å; F580-A596 HydrophobicContact CD1-CB 4.01Å; F580-A596 HydrophobicContact CE1-CB 4.12Å; F580-I599 HydrophobicContact CE1-CB 4.26Å; F580-I599 HydrophobicContact CE1-CD1 4.41Å; F580-I599 HydrophobicContact CE1-CG2 4.2Å; F580-I599 HydrophobicContact CZ-CB 4.28Å; F580-I599 HydrophobicContact CZ-CD1 3.88Å; F580-I599 HydrophobicContact CZ-CG2 3.96Å; F580-L638 HydrophobicContact CB-CD1 4.26Å; F580-L638 HydrophobicContact CG-CD1 4.4Å; F580-L643 HydrophobicContact CE2-CB 3.79Å; F580-L643 HydrophobicContact CE2-CD1 4.34Å; F580-L643 HydrophobicContact CZ-CB 3.98Å; F580-L643 HydrophobicContact CZ-CD1 4.33Å; F580-I644 HydrophobicContact CE2-CG1 4.35Å
581	V	73.8	Confident	69.5	Low	24 Å²	24	50.8 Å²	50.8	15%	0.145	29%	0.294	C	S	.	.	H	α-helix	trans	-62.4	-37.4	172.2	169.1	0	0	0	0	111	A577 K585 P592 E593 A596	A577-V581 WeakPolarHBondContact O-CB 3.27Å; A577-V581 VanDerWaalsContact O-CG2 3.27Å; A577-V581 WeakPolarHBondContact O-CG2 2.99Å; A577-V581 PolarHBondContact O-N 2.84Å; V581-K585 VanDerWaalsContact O-CB 3.3Å; V581-K585 WeakPolarHBondContact O-CB 3.36Å; V581-K585 PolarHBondContact O-N 2.89Å; V581-P592 HydrophobicContact CG1-CB 4.27Å; V581-P592 HydrophobicContact CG1-CG 4.4Å; V581-E593 HydrophobicContact CG1-CG 4.11Å; V581-A596 HydrophobicContact CG2-CB 3.51Å
582	A	74.3	Confident	70.2	Confident	46 Å²	46	51.7 Å²	51.7	38%	0.38	30%	0.299	S	S	.	.	H	α-helix	trans	-66.9	-38.7	172.9	0	0	0	0	0	112.4	T578 Q579 F580 K585 N586	T578-A582 WeakPolarHBondContact O-CB 3.41Å; T578-A582 PolarHBondContact O-N 3.32Å; Q579-A582 WeakPolarHBondContact O-CB 3.38Å; Q579-A582 PolarHBondContact O-N 3.42Å; F580-A582 VanDerWaalsContact C-N 3.3Å; F580-A582 PolarHBondContact O-N 2.97Å; A582-K585 PolarHBondContact O-N 3.29Å; A582-N586 WeakPolarHBondContact O-CB 3.13Å; A582-N586 PolarHBondContact O-N 3.46Å; A582-N586 PolarHBondContact O-OD1 3.29Å
583	Q	74	Confident	70.8	Confident	54 Å²	54	54.4 Å²	54.4	25%	0.252	31%	0.312	S	S	.	.	H	α-helix	trans	-63.5	-46.7	173.2	-74.2	168	-48.3	0	0	111.9	Q579 F580 K585 N586 A587 I644	Q579-Q583 WeakPolarHBondContact O-CG 3.36Å; Q579-Q583 PolarHBondContact O-N 3.4Å; F580-Q583 WeakPolarHBondContact O-CB 3.45Å; F580-Q583 PolarHBondContact O-N 3.14Å; F580-Q583 VanDerWaalsContact O-N 3.17Å; Q583-K585 VanDerWaalsContact C-N 3.33Å; Q583-K585 PolarHBondContact O-N 3.3Å; Q583-N586 PolarHBondContact O-N 3.29Å; Q583-A587 WeakPolarHBondContact O-CB 3.24Å; Q583-A587 PolarHBondContact O-N 2.95Å; Q583-I644 HydrophobicContact CB-CD1 3.8Å; Q583-I644 HydrophobicContact CG-CD1 4.25Å
584	L	75.4	Confident	71.2	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-62.3	-39.1	175.7	-69.1	169.7	0	0	0	112.1	F580 A587 G588 V589 P592 A596 I599	F580-L584 HydrophobicContact CD1-CD1 4.11Å; F580-L584 HydrophobicContact CD2-CG 4.49Å; F580-L584 HydrophobicContact CE1-CD1 3.78Å; F580-L584 HydrophobicContact CE2-CD1 4.27Å; F580-L584 HydrophobicContact CE2-CD2 4.34Å; F580-L584 HydrophobicContact CE2-CG 4.19Å; F580-L584 HydrophobicContact CZ-CD1 3.85Å; F580-L584 HydrophobicContact CZ-CD2 4.31Å; F580-L584 HydrophobicContact CZ-CG 4.22Å; F580-L584 WeakPolarHBondContact O-CG 3.3Å; F580-L584 PolarHBondContact O-N 2.86Å; L584-A587 CarbonylContact O-C 3.33Å; L584-A587 PolarHBondContact O-N 2.8Å; L584-G588 PolarHBondContact O-N 2.91Å; L584-V589 HydrophobicContact CB-CB 4.32Å; L584-V589 HydrophobicContact CB-CG2 4.21Å; L584-V589 HydrophobicContact CD2-CG2 4.14Å; L584-V589 WeakPolarHBondContact O-CB 3.17Å; L584-V589 WeakPolarHBondContact O-CG2 3.42Å; L584-V589 PolarHBondContact O-N 3.43Å; L584-V589 VanDerWaalsContact O-N 3.1Å; L584-P592 HydrophobicContact CB-CB 3.87Å; L584-A596 HydrophobicContact CD1-CB 3.8Å; L584-I599 HydrophobicContact CD2-CD1 4.35Å
585	K	77.8	Confident	71.5	Confident	146 Å²	146	49 Å²	49	64%	0.635	29%	0.292	S	S	*	.	H	α-helix	trans	-63.2	-42.7	173.7	-173.5	-178.9	178	-176.4	0	111.8	V581 A582 Q583 A587 G588 P592	V581-K585 VanDerWaalsContact O-CB 3.3Å; V581-K585 WeakPolarHBondContact O-CB 3.36Å; V581-K585 PolarHBondContact O-N 2.89Å; A582-K585 PolarHBondContact O-N 3.29Å; Q583-K585 VanDerWaalsContact C-N 3.33Å; Q583-K585 PolarHBondContact O-N 3.3Å; K585-A587 VanDerWaalsContact C-N 3.26Å; K585-A587 PolarHBondContact O-N 3.31Å; K585-G588 PolarHBondContact O-N 2.78Å; K585-G588 VanDerWaalsContact O-N 3.15Å; K585-P592 HydrophobicContact CB-CB 4.3Å; K585-P592 HydrophobicContact CB-CG 4.1Å
586	N	77.9	Confident	72	Confident	144 Å²	144	46.9 Å²	46.9	77%	0.77	28%	0.278	S	S	*	.	H	α-helix	trans	-69.1	-25.2	176.3	-69.3	1.2	0	0	0	112.4	A582 Q583 G588	A582-N586 WeakPolarHBondContact O-CB 3.13Å; A582-N586 PolarHBondContact O-N 3.46Å; A582-N586 PolarHBondContact O-OD1 3.29Å; Q583-N586 PolarHBondContact O-N 3.29Å; N586-G588 PolarHBondContact O-N 3.13Å
587	A	77.1	Confident	72.1	Confident	57 Å²	57	47.5 Å²	47.5	47%	0.471	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	7.6	171.7	0	0	0	0	0	113.9	Q583 L584 K585 V589 I644	Q583-A587 WeakPolarHBondContact O-CB 3.24Å; Q583-A587 PolarHBondContact O-N 2.95Å; L584-A587 CarbonylContact O-C 3.33Å; L584-A587 PolarHBondContact O-N 2.8Å; K585-A587 VanDerWaalsContact C-N 3.26Å; K585-A587 PolarHBondContact O-N 3.31Å; A587-V589 PolarHBondContact O-N 2.83Å; A587-I644 HydrophobicContact CB-CG2 3.98Å
588	G	73.2	Confident	72.2	Confident	62 Å²	62	51 Å²	51	64%	0.639	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	10.6	174.7	0	0	0	0	0	115.8	L584 K585 N586	L584-G588 PolarHBondContact O-N 2.91Å; K585-G588 PolarHBondContact O-N 2.78Å; K585-G588 VanDerWaalsContact O-N 3.15Å; N586-G588 PolarHBondContact O-N 3.13Å
589	V	72.6	Confident	72.4	Confident	22 Å²	22	48.4 Å²	48.4	13%	0.133	28%	0.277	C	S	.	.			trans	-65.9	127	178.5	179.5	0	0	0	0	110.2	L584 A587 P592 E595	L584-V589 HydrophobicContact CB-CB 4.32Å; L584-V589 HydrophobicContact CB-CG2 4.21Å; L584-V589 HydrophobicContact CD2-CG2 4.14Å; L584-V589 WeakPolarHBondContact O-CB 3.17Å; L584-V589 WeakPolarHBondContact O-CG2 3.42Å; L584-V589 PolarHBondContact O-N 3.43Å; L584-V589 VanDerWaalsContact O-N 3.1Å; A587-V589 PolarHBondContact O-N 2.83Å; V589-P592 HydrophobicContact CB-CB 4.45Å; V589-P592 HydrophobicContact CG1-CB 4.49Å; V589-P592 WeakPolarHBondContact O-CD 3.38Å; V589-E595 HydrophobicContact CG1-CB 3.81Å; V589-E595 HydrophobicContact CG1-CG 4.03Å
590	P	65.6	Low	72.5	Confident	123 Å²	123	45.6 Å²	45.6	80%	0.799	26%	0.264	S	S	*	.	S	Bend	trans	-71.9	-38.3	-170.3	25.2	-34.2	0	0	0	114.5	P592	P590-P592 WeakPolarHBondContact O-CD 3.45Å
591	D	69.4	Low	72.1	Confident	51 Å²	51	46.1 Å²	46.1	27%	0.273	27%	0.267	S	S	.	.	S	Bend	trans	-117.6	74.6	172.7	-83.7	-33.2	0	0	0	109.6	E593 T594 E595 F701 K705	D591-E593 VanDerWaalsContact C-N 3.28Å; D591-E593 PolarHBondContact O-N 3.11Å; D591-T594 PolarHBondContact O-N 3.49Å; D591-E595 PolarHBondContact O-N 3.41Å; D591-F701 HydrophobicContact CB-CE2 4.23Å; D591-F701 HydrophobicContact CB-CZ 3.88Å; D591-F701 VanDerWaalsContact OD2-CZ 3.31Å; D591-F701 WeakPolarHBondContact OD2-CZ 3.47Å; D591-K705 IonicContact OD1-NZ 2.74Å; D591-K705 IonicContact OD2-NZ 3.94Å; D591-K705 PolarHBondContact OD2-NZ 3.08Å
592	P	74.5	Confident	71.8	Confident	22 Å²	22	47.2 Å²	47.2	14%	0.143	27%	0.274	C	S	.	.	H	α-helix	trans	-68.5	-24.2	-169.7	28.1	-34.8	0	0	0	113.3	V581 L584 K585 V589 P590 A596	V581-P592 HydrophobicContact CG1-CB 4.27Å; V581-P592 HydrophobicContact CG1-CG 4.4Å; L584-P592 HydrophobicContact CB-CB 3.87Å; K585-P592 HydrophobicContact CB-CB 4.3Å; K585-P592 HydrophobicContact CB-CG 4.1Å; V589-P592 HydrophobicContact CB-CB 4.45Å; V589-P592 HydrophobicContact CG1-CB 4.49Å; V589-P592 WeakPolarHBondContact O-CD 3.38Å; P590-P592 WeakPolarHBondContact O-CD 3.45Å; P592-A596 WeakPolarHBondContact O-CB 3.29Å; P592-A596 PolarHBondContact O-N 3.19Å
593	E	67.6	Low	71.5	Confident	72 Å²	72	45.9 Å²	45.9	34%	0.336	26%	0.26	S	S	.	.	H	α-helix	trans	-70.1	-43.3	172.5	-64.4	-170	162.2	0	0	112.3	V581 D591 E595 Y597	V581-E593 HydrophobicContact CG1-CG 4.11Å; D591-E593 VanDerWaalsContact C-N 3.28Å; D591-E593 PolarHBondContact O-N 3.11Å; E593-E595 VanDerWaalsContact C-N 3.32Å; E593-Y597 WeakPolarHBondContact O-CB 3.41Å; E593-Y597 PolarHBondContact O-N 3.28Å
594	T	66.8	Low	71	Confident	9 Å²	9	50 Å²	50	6%	0.055	28%	0.276	C	S	.	.	H	α-helix	trans	-64.6	-41	178	-52.5	0	0	0	0	110.6	D591 Y597 R598 F701 S704 K705	D591-T594 PolarHBondContact O-N 3.49Å; T594-Y597 PolarHBondContact O-N 3.07Å; T594-R598 PolarHBondContact O-N 3.46Å; T594-F701 HydrophobicContact CG2-CD2 3.63Å; T594-F701 HydrophobicContact CG2-CE2 3.52Å; T594-F701 HydrophobicContact CG2-CG 4.19Å; T594-F701 HydrophobicContact CG2-CZ 4Å; T594-S704 VanDerWaalsContact CG2-OG 3.25Å; T594-S704 WeakPolarHBondContact CG2-OG 3.43Å; T594-K705 HydrophobicContact CG2-CB 4.05Å
595	E	70.3	Confident	70.4	Confident	14 Å²	14	53.7 Å²	53.7	7%	0.065	30%	0.296	C	S	.	.	H	α-helix	trans	-75.7	-38.2	-179	-164.4	56.4	-160.7	0	0	112.4	V589 D591 E593 Y597 R598 I599 H647	V589-E595 HydrophobicContact CG1-CB 3.81Å; V589-E595 HydrophobicContact CG1-CG 4.03Å; D591-E595 PolarHBondContact O-N 3.41Å; E593-E595 VanDerWaalsContact C-N 3.32Å; E595-Y597 VanDerWaalsContact C-N 3.3Å; E595-Y597 PolarHBondContact O-N 3.3Å; E595-R598 VanDerWaalsContact CD-NE 3.33Å; E595-R598 WeakPolarHBondContact O-CB 3.48Å; E595-R598 PolarHBondContact O-N 2.81Å; E595-R598 IonicContact OE1-CZ 3.27Å; E595-R598 IonicContact OE1-NE 3.33Å; E595-R598 PolarHBondContact OE1-NE 2.89Å; E595-R598 IonicContact OE1-NH2 2.91Å; E595-R598 PolarHBondContact OE1-NH2 3.09Å; E595-R598 IonicContact OE2-NE 3.57Å; E595-R598 PolarHBondContact OE2-NE 3.04Å; E595-I599 HydrophobicContact CG-CD1 4.27Å; E595-I599 WeakPolarHBondContact O-CG1 3.35Å; E595-I599 PolarHBondContact O-N 3.23Å; E595-H647 IonicContact OE1-CE1 2.69Å; E595-H647 PolarHBondContact OE1-CE1 2.72Å; E595-H647 IonicContact OE1-NE2 3.58Å; E595-H647 PolarHBondContact OE1-NE2 2.95Å
596	A	73.5	Confident	69.3	Low	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-57.1	-44.2	167.4	0	0	0	0	0	111.4	L572 F580 V581 L584 P592 R598 I599 L600	L572-A596 HydrophobicContact CD2-CB 4.47Å; F580-A596 HydrophobicContact CD1-CB 4.01Å; F580-A596 HydrophobicContact CE1-CB 4.12Å; V581-A596 HydrophobicContact CG2-CB 3.51Å; L584-A596 HydrophobicContact CD1-CB 3.8Å; P592-A596 WeakPolarHBondContact O-CB 3.29Å; P592-A596 PolarHBondContact O-N 3.19Å; A596-R598 PolarHBondContact O-N 3.49Å; A596-I599 PolarHBondContact O-N 2.94Å; A596-L600 WeakPolarHBondContact O-CB 3.01Å; A596-L600 WeakPolarHBondContact O-CD1 3.31Å; A596-L600 WeakPolarHBondContact O-CG 3.19Å; A596-L600 PolarHBondContact O-N 3.44Å
597	Y	69.8	Low	67.8	Low	15 Å²	15	52.5 Å²	52.5	6%	0.059	29%	0.289	C	S	.	.	H	α-helix	trans	-63.2	-40.3	176.7	-168	-94.8	0	0	0	112.4	L572 E593 T594 E595 T601 L699	L572-Y597 HydrophobicContact CD1-CD2 4Å; L572-Y597 HydrophobicContact CD2-CD2 4.44Å; L572-Y597 HydrophobicContact CG-CD2 4.21Å; E593-Y597 WeakPolarHBondContact O-CB 3.41Å; E593-Y597 PolarHBondContact O-N 3.28Å; T594-Y597 PolarHBondContact O-N 3.07Å; E595-Y597 VanDerWaalsContact C-N 3.3Å; E595-Y597 PolarHBondContact O-N 3.3Å; Y597-T601 HydrophobicContact CD1-CG2 4.29Å; Y597-T601 HydrophobicContact CE1-CG2 3.93Å; Y597-T601 HydrophobicContact CE2-CG2 4.4Å; Y597-T601 WeakPolarHBondContact O-CB 3.35Å; Y597-T601 WeakPolarHBondContact O-CG2 3.28Å; Y597-T601 PolarHBondContact O-N 2.7Å; Y597-T601 VanDerWaalsContact O-N 3.15Å; Y597-T601 PolarHBondContact O-OG1 2.87Å; Y597-L699 HydrophobicContact CE1-CD1 4.16Å
598	R	69.5	Low	66.1	Low	75 Å²	75	56.2 Å²	56.2	28%	0.283	30%	0.301	S	S	.	.	H	α-helix	trans	-59.1	-57.8	174.1	-168.1	-170.6	70.1	79.8	-2.2	110	T594 E595 A596 L600 T601 T602 H647	T594-R598 PolarHBondContact O-N 3.46Å; E595-R598 VanDerWaalsContact CD-NE 3.33Å; E595-R598 WeakPolarHBondContact O-CB 3.48Å; E595-R598 PolarHBondContact O-N 2.81Å; E595-R598 IonicContact OE1-CZ 3.27Å; E595-R598 IonicContact OE1-NE 3.33Å; E595-R598 PolarHBondContact OE1-NE 2.89Å; E595-R598 IonicContact OE1-NH2 2.91Å; E595-R598 PolarHBondContact OE1-NH2 3.09Å; E595-R598 IonicContact OE2-NE 3.57Å; E595-R598 PolarHBondContact OE2-NE 3.04Å; A596-R598 PolarHBondContact O-N 3.49Å; R598-L600 PolarHBondContact O-N 3.23Å; R598-T601 PolarHBondContact O-N 3.02Å; R598-T601 VanDerWaalsContact O-N 3.09Å; R598-T601 PolarHBondContact O-OG1 2.82Å; R598-T601 VanDerWaalsContact O-OG1 3.04Å; R598-T602 HydrophobicContact CG-CG2 4.25Å; R598-T602 PolarHBondContact O-N 3.2Å; R598-T602 PolarHBondContact O-OG1 3.02Å; R598-H647 PolarHBondContact NH2-NE2 3.33Å
599	I	72.8	Confident	64.7	Low	14 Å²	14	57.8 Å²	57.8	7%	0.072	30%	0.3	C	S	.	.	H	α-helix	trans	-58.3	-47.7	-178.2	-63.6	167.2	0	0	0	111.1	F580 L584 E595 A596 T601 T602 W603 L643	F580-I599 HydrophobicContact CE1-CB 4.26Å; F580-I599 HydrophobicContact CE1-CD1 4.41Å; F580-I599 HydrophobicContact CE1-CG2 4.2Å; F580-I599 HydrophobicContact CZ-CB 4.28Å; F580-I599 HydrophobicContact CZ-CD1 3.88Å; F580-I599 HydrophobicContact CZ-CG2 3.96Å; L584-I599 HydrophobicContact CD2-CD1 4.35Å; E595-I599 HydrophobicContact CG-CD1 4.27Å; E595-I599 WeakPolarHBondContact O-CG1 3.35Å; E595-I599 PolarHBondContact O-N 3.23Å; A596-I599 PolarHBondContact O-N 2.94Å; I599-T601 PolarHBondContact O-N 3.47Å; I599-T601 VanDerWaalsContact O-N 3.16Å; I599-T602 PolarHBondContact O-N 2.97Å; I599-W603 WeakPolarHBondContact O-CB 3.29Å; I599-W603 PolarHBondContact O-N 3.38Å; I599-L643 HydrophobicContact CG2-CB 4.5Å; I599-L643 HydrophobicContact CG2-CD1 4.49Å; I599-L643 HydrophobicContact CG2-CD2 4.26Å
600	L	71.8	Confident	63.2	Low	5 Å²	5	61 Å²	61	3%	0.026	32%	0.32	C	S	.	.	H	α-helix	trans	-57.6	-29.7	178.1	-76.8	168	0	0	0	113.8	W543 F576 A577 A596 R598 F634	W543-L600 PolarHBondContact NE1-O 2.77Å; F576-L600 HydrophobicContact CE2-CD2 4.44Å; A577-L600 HydrophobicContact CB-CD1 4.42Å; A596-L600 WeakPolarHBondContact O-CB 3.01Å; A596-L600 WeakPolarHBondContact O-CD1 3.31Å; A596-L600 WeakPolarHBondContact O-CG 3.19Å; A596-L600 PolarHBondContact O-N 3.44Å; R598-L600 PolarHBondContact O-N 3.23Å; L600-F634 HydrophobicContact CD2-CE1 4.31Å; L600-F634 HydrophobicContact CD2-CE2 3.81Å; L600-F634 HydrophobicContact CD2-CZ 3.4Å
601	T	67.5	Low	61.9	Low	12 Å²	12	65 Å²	65	7%	0.074	33%	0.325	C	S	.	.	H	α-helix	trans	-97.4	-29.6	-178.6	54.2	0	0	0	0	113.8	I550 Y597 R598 I599	I550-T601 HydrophobicContact CD1-CG2 3.64Å; Y597-T601 HydrophobicContact CD1-CG2 4.29Å; Y597-T601 HydrophobicContact CE1-CG2 3.93Å; Y597-T601 HydrophobicContact CE2-CG2 4.4Å; Y597-T601 WeakPolarHBondContact O-CB 3.35Å; Y597-T601 WeakPolarHBondContact O-CG2 3.28Å; Y597-T601 PolarHBondContact O-N 2.7Å; Y597-T601 VanDerWaalsContact O-N 3.15Å; Y597-T601 PolarHBondContact O-OG1 2.87Å; R598-T601 PolarHBondContact O-N 3.02Å; R598-T601 VanDerWaalsContact O-N 3.09Å; R598-T601 PolarHBondContact O-OG1 2.82Å; R598-T601 VanDerWaalsContact O-OG1 3.04Å; I599-T601 PolarHBondContact O-N 3.47Å; I599-T601 VanDerWaalsContact O-N 3.16Å
602	T	66.4	Low	60.4	Low	47 Å²	47	64.8 Å²	64.8	29%	0.288	33%	0.327	S	S	.	.	H	α-helix	trans	-93.3	-11.2	180	62.4	0	0	0	0	114.5	R598 I599 K604	R598-T602 HydrophobicContact CG-CG2 4.25Å; R598-T602 PolarHBondContact O-N 3.2Å; R598-T602 PolarHBondContact O-OG1 3.02Å; I599-T602 PolarHBondContact O-N 2.97Å; T602-K604 PolarHBondContact O-N 3.32Å; T602-K604 VanDerWaalsContact O-N 3.15Å
603	W	68.7	Low	58.7	Low	19 Å²	19	69.4 Å²	69.4	7%	0.072	36%	0.357	C	S	.	.			trans	-54.2	119.2	-177.2	-176.6	85.5	0	0	0	112.2	W543 R547 I599 I605 Q633 F634 D637	W543-W603 AromaticContact CH2-CE3 3.79Å; W543-W603 HydrophobicContact CH2-CE3 3.79Å; W543-W603 AromaticContact CH2-CZ3 3.73Å; W543-W603 HydrophobicContact CH2-CZ3 3.73Å; W543-W603 AromaticContact CZ2-CE3 3.69Å; W543-W603 HydrophobicContact CZ2-CE3 3.69Å; W543-W603 HydrophobicContact CZ2-CZ3 4.13Å; R547-W603 PolarHBondContact NE-O 2.95Å; R547-W603 PolarHBondContact NH2-O 3.37Å; I599-W603 WeakPolarHBondContact O-CB 3.29Å; I599-W603 PolarHBondContact O-N 3.38Å; W603-I605 HydrophobicContact CH2-CB 4.46Å; W603-I605 HydrophobicContact CH2-CG1 3.7Å; W603-I605 HydrophobicContact CZ3-CG1 3.78Å; W603-Q633 HydrophobicContact CH2-CB 3.96Å; W603-Q633 HydrophobicContact CH2-CG 3.79Å; W603-Q633 HydrophobicContact CZ2-CB 4.43Å; W603-Q633 HydrophobicContact CZ2-CG 3.89Å; W603-F634 HydrophobicContact CD2-CD2 4.38Å; W603-F634 HydrophobicContact CE3-CB 4.49Å; W603-F634 HydrophobicContact CH2-CB 4.26Å; W603-F634 HydrophobicContact CZ3-CB 4.26Å; W603-D637 WeakPolarHBondContact CZ2-OD2 3.21Å; W603-D637 PolarHBondContact NE1-OD2 3.27Å
604	K	63.5	Low	57.3	Low	139 Å²	139	70.7 Å²	70.7	60%	0.604	37%	0.374	S	S	*	.			trans	-105.5	147.1	169.8	-72.8	-174.3	176.5	-177.4	0	108.3	T602	T602-K604 PolarHBondContact O-N 3.32Å; T602-K604 VanDerWaalsContact O-N 3.15Å
605	I	61.3	Low	56.5	Low	80 Å²	80	73.8 Å²	73.8	41%	0.41	39%	0.385	S	S	.	.			trans	-62	129.7	168.1	-56.6	168	0	0	0	106.4	W603	W603-I605 HydrophobicContact CH2-CB 4.46Å; W603-I605 HydrophobicContact CH2-CG1 3.7Å; W603-I605 HydrophobicContact CZ3-CG1 3.78Å
606	P	55.4	Low	55.1	Low	57 Å²	57	79.3 Å²	79.3	37%	0.37	42%	0.42	S	S	.	.			trans	-53.1	140.4	172.2	-27.3	36.4	0	0	0	110.9	D608	P606-D608 WeakPolarHBondContact CB-O 3.44Å; P606-D608 PolarHBondContact O-N 3.32Å
607	K	46.4	Very low	54.1	Low	208 Å²	208	82.8 Å²	82.8	90%	0.904	43%	0.433	S	S	*	.	S	Bend	trans	-59.6	-40.8	-178.2	-79.5	-171.8	175.4	-177	0	111.5
608	D	42.2	Very low	53.1	Low	135 Å²	135	86.7 Å²	86.7	72%	0.722	46%	0.462	S	S	*	.	S	Bend	trans	-96.8	114.3	169.8	-55.4	-69.1	0	0	0	108.4	P606 V610	P606-D608 WeakPolarHBondContact CB-O 3.44Å; P606-D608 PolarHBondContact O-N 3.32Å; D608-V610 PolarHBondContact O-N 2.93Å
609	P	42.6	Very low	51.9	Low	95 Å²	95	87.5 Å²	87.5	62%	0.617	47%	0.469	S	S	*	.			trans	-64.5	130.6	171.8	27.3	-32.6	0	0	0	108.8
610	V	40.9	Very low	50.8	Low	89 Å²	89	97 Å²	97	54%	0.539	51%	0.51	S	S	.	.			trans	-50.7	144	165.9	178.2	0	0	0	0	108.2	D608 S612	D608-V610 PolarHBondContact O-N 2.93Å; V610-S612 PolarHBondContact O-N 3.5Å
611	K	38	Very low	49.8	Very low	208 Å²	208	104.1 Å²	104.1	90%	0.904	55%	0.548	S	S	*	.			trans	-71.7	51.7	-178.1	-65.2	179.6	-179.2	172.9	0	112.7
612	S	38.8	Very low	48.9	Very low	45 Å²	45	105.9 Å²	105.9	32%	0.315	55%	0.553	S	S	.	*			trans	-52.3	139.5	166.6	-60.1	0	0	0	0	109.3	V610 S614	V610-S612 PolarHBondContact O-N 3.5Å; S612-S614 PolarHBondContact O-N 3.33Å; S612-S614 VanDerWaalsContact O-N 3.13Å
613	P	39.6	Very low	48.4	Very low	119 Å²	119	112.3 Å²	112.3	77%	0.773	58%	0.577	S	S	*	*			trans	-57.5	123.3	-173.5	23.8	-33.9	0	0	0	109.6	Y615	P613-Y615 PolarHBondContact O-N 3.37Å
614	S	37.2	Very low	48	Very low	99 Å²	99	112.7 Å²	112.7	69%	0.692	58%	0.582	S	S	*	*			trans	-46.6	112.1	-169.3	57.8	0	0	0	0	111.1	S612 T616	S612-S614 PolarHBondContact O-N 3.33Å; S612-S614 VanDerWaalsContact O-N 3.13Å; S614-T616 PolarHBondContact O-N 2.96Å
615	Y	50.6	Low	48.3	Very low	75 Å²	75	109.7 Å²	109.7	29%	0.294	57%	0.573	S	S	.	*			trans	-56.1	98.8	-175.7	-80.4	-77.7	0	0	0	110.5	H491 P613 W617 M632 D636	H491-Y615 AromaticContact CD2-CE1 3.69Å; H491-Y615 AromaticContact NE2-CD1 3.73Å; H491-Y615 AromaticContact NE2-CE1 3.65Å; P613-Y615 PolarHBondContact O-N 3.37Å; Y615-W617 HydrophobicContact CD1-CH2 4.31Å; Y615-W617 HydrophobicContact CD1-CZ2 4.01Å; Y615-W617 HydrophobicContact CG-CZ2 4.01Å; Y615-W617 PolarHBondContact O-N 3.03Å; Y615-M632 HydrophobicContact CE1-CE 4.27Å; Y615-M632 VanDerWaalsContact OH-CE 3.23Å; Y615-M632 WeakPolarHBondContact OH-CE 3.46Å; Y615-D636 PolarHBondContact OH-OD1 3.48Å; Y615-D636 PolarHBondContact OH-OD2 3.13Å
616	T	41.1	Very low	48.7	Very low	130 Å²	130	109.4 Å²	109.4	80%	0.798	58%	0.576	S	S	*	*			trans	-81	67.1	-174.8	35.2	0	0	0	0	110.4	S614 S618	S614-T616 PolarHBondContact O-N 2.96Å; T616-S618 PolarHBondContact O-N 2.96Å
617	W	51.6	Low	49.7	Very low	72 Å²	72	108 Å²	108	27%	0.273	57%	0.565	S	S	.	*			trans	-54.1	109.5	173.3	-54.6	108.1	0	0	0	109.5	L494 Y615 H619 W622 P624	L494-W617 HydrophobicContact CB-CH2 4.26Å; L494-W617 HydrophobicContact CB-CZ3 3.96Å; Y615-W617 HydrophobicContact CD1-CH2 4.31Å; Y615-W617 HydrophobicContact CD1-CZ2 4.01Å; Y615-W617 HydrophobicContact CG-CZ2 4.01Å; Y615-W617 PolarHBondContact O-N 3.03Å; W617-H619 PolarHBondContact O-N 3.35Å; W617-W622 HydrophobicContact CD2-CZ3 4.4Å; W617-W622 HydrophobicContact CE3-CE3 4.11Å; W617-W622 AromaticContact CE3-CZ3 3.64Å; W617-W622 HydrophobicContact CE3-CZ3 3.64Å; W617-W622 AromaticContact CZ3-CZ3 3.79Å; W617-W622 HydrophobicContact CZ3-CZ3 3.79Å; W617-P624 HydrophobicContact CH2-CG 3.95Å; W617-P624 HydrophobicContact CZ2-CG 3.8Å; W617-P624 HydrophobicContact CZ3-CG 4.4Å
618	S	48.4	Very low	51.2	Low	97 Å²	97	98.2 Å²	98.2	68%	0.678	52%	0.523	S	S	*	.	S	Bend	trans	-59.8	-15.9	-169.5	59.1	0	0	0	0	114.9	T616	T616-S618 PolarHBondContact O-N 2.96Å
619	H	45.7	Very low	52.7	Low	93 Å²	93	94 Å²	94	43%	0.431	51%	0.507	S	S	.	.			trans	-111.6	113.2	171.4	-91.9	-82.3	0	0	0	111.1	W617 D621 W622	W617-H619 PolarHBondContact O-N 3.35Å; H619-D621 PolarHBondContact O-N 3.22Å; H619-W622 HydrophobicContact CB-CB 4.41Å; H619-W622 PolarHBondContact O-N 2.9Å; H619-W622 VanDerWaalsContact O-N 3.14Å
620	K	49.8	Very low	54.2	Low	214 Å²	214	90.8 Å²	90.8	93%	0.93	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-20.7	174.9	-66.7	-172.4	176.8	-174.1	0	114.3
621	D	49.6	Very low	56.2	Low	153 Å²	153	86.5 Å²	86.5	82%	0.818	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-3.8	-177.1	-50.9	-53.9	0	0	0	114.5	H619	H619-D621 PolarHBondContact O-N 3.22Å
622	W	49.2	Very low	58.2	Low	50 Å²	50	77 Å²	77	19%	0.189	42%	0.417	C	S	.	.			trans	-111.4	137.8	-174.9	-171.3	56.6	0	0	0	113.8	L494 P498 W617 H619 P624	L494-W622 HydrophobicContact CB-CH2 4.14Å; L494-W622 HydrophobicContact CD2-CH2 3.99Å; L494-W622 WeakPolarHBondContact O-CH2 3.46Å; L494-W622 WeakPolarHBondContact O-CZ3 3.43Å; P498-W622 HydrophobicContact CB-CG 4.04Å; P498-W622 HydrophobicContact CG-CB 4.01Å; P498-W622 HydrophobicContact CG-CG 3.85Å; W617-W622 HydrophobicContact CD2-CZ3 4.4Å; W617-W622 HydrophobicContact CE3-CE3 4.11Å; W617-W622 AromaticContact CE3-CZ3 3.64Å; W617-W622 HydrophobicContact CE3-CZ3 3.64Å; W617-W622 AromaticContact CZ3-CZ3 3.79Å; W617-W622 HydrophobicContact CZ3-CZ3 3.79Å; H619-W622 HydrophobicContact CB-CB 4.41Å; H619-W622 PolarHBondContact O-N 2.9Å; H619-W622 VanDerWaalsContact O-N 3.14Å; W622-P624 HydrophobicContact CH2-CB 4.26Å; W622-P624 HydrophobicContact CH2-CG 3.93Å; W622-P624 HydrophobicContact CZ2-CB 4.42Å; W622-P624 HydrophobicContact CZ2-CG 4.43Å; W622-P624 HydrophobicContact CZ3-CG 3.99Å
623	K	56.5	Low	60	Low	181 Å²	181	76.5 Å²	76.5	79%	0.787	41%	0.41	S	S	*	.			trans	-126	136.8	166	-63	-171.3	177.5	-172.2	0	108.7
624	P	60.3	Low	62	Low	27 Å²	27	70.9 Å²	70.9	18%	0.175	37%	0.373	C	S	.	.			trans	-55.5	158.6	169.5	-24.7	34	0	0	0	112.3	W617 W622 D628	W617-P624 HydrophobicContact CH2-CG 3.95Å; W617-P624 HydrophobicContact CZ2-CG 3.8Å; W617-P624 HydrophobicContact CZ3-CG 4.4Å; W622-P624 HydrophobicContact CH2-CB 4.26Å; W622-P624 HydrophobicContact CH2-CG 3.93Å; W622-P624 HydrophobicContact CZ2-CB 4.42Å; W622-P624 HydrophobicContact CZ2-CG 4.43Å; W622-P624 HydrophobicContact CZ3-CG 3.99Å; P624-D628 HydrophobicContact CB-CB 4.22Å
625	N	68.4	Low	64	Low	76 Å²	76	66.1 Å²	66.1	41%	0.406	34%	0.34	S	S	.	.			trans	-65.5	140.6	166.9	-174.3	55.4	0	0	0	108.3	I627 D628 A629	N625-I627 WeakPolarHBondContact ND2-CB 3.29Å; N625-I627 WeakPolarHBondContact ND2-CG1 3.33Å; N625-I627 PolarHBondContact O-N 3.4Å; N625-I627 VanDerWaalsContact O-N 3.1Å; N625-D628 WeakPolarHBondContact CB-OD2 3.33Å; N625-D628 WeakPolarHBondContact O-CA 3.39Å; N625-D628 WeakPolarHBondContact O-CB 3.38Å; N625-D628 PolarHBondContact O-N 2.97Å; N625-A629 PolarHBondContact O-N 3.27Å
626	P	71	Confident	65.3	Low	74 Å²	74	63.6 Å²	63.6	48%	0.481	33%	0.332	S	S	.	.	H	α-helix	trans	-53.5	-36.3	-177.5	15.6	-30.6	0	0	0	113.7	D628 A629 D630	P626-D628 PolarHBondContact O-N 2.95Å; P626-A629 PolarHBondContact O-N 3.47Å; P626-A629 VanDerWaalsContact O-N 3.09Å; P626-D630 WeakPolarHBondContact O-CB 3.22Å; P626-D630 PolarHBondContact O-N 2.92Å
627	I	76	Confident	67	Low	27 Å²	27	57.8 Å²	57.8	14%	0.138	30%	0.296	C	S	.	.	H	α-helix	trans	-55.3	-36.8	172.6	-52.3	-176.6	0	0	0	112.5	A540 V541 Y544 N625 F631	A540-I627 HydrophobicContact CB-CG2 4.23Å; V541-I627 HydrophobicContact CG2-CG2 4.24Å; Y544-I627 HydrophobicContact CD1-CD1 3.78Å; Y544-I627 HydrophobicContact CD1-CG1 3.69Å; Y544-I627 HydrophobicContact CD2-CB 4.36Å; Y544-I627 HydrophobicContact CD2-CG1 3.96Å; Y544-I627 HydrophobicContact CD2-CG2 4.49Å; Y544-I627 HydrophobicContact CE1-CD1 4.05Å; Y544-I627 HydrophobicContact CE1-CG1 3.85Å; Y544-I627 HydrophobicContact CE2-CG1 4.11Å; Y544-I627 HydrophobicContact CG-CB 4.28Å; Y544-I627 HydrophobicContact CG-CD1 4.24Å; Y544-I627 HydrophobicContact CG-CG1 3.75Å; Y544-I627 HydrophobicContact CG-CG2 4.07Å; N625-I627 WeakPolarHBondContact ND2-CB 3.29Å; N625-I627 WeakPolarHBondContact ND2-CG1 3.33Å; N625-I627 PolarHBondContact O-N 3.4Å; N625-I627 VanDerWaalsContact O-N 3.1Å; I627-F631 VanDerWaalsContact O-CB 3.25Å; I627-F631 WeakPolarHBondContact O-CB 3.2Å; I627-F631 PolarHBondContact O-N 3.45Å
628	D	76.8	Confident	68.2	Low	4 Å²	4	54.5 Å²	54.5	2%	0.021	28%	0.284	C	S	.	.	H	α-helix	trans	-79.2	-28.8	-179.3	-55.5	-23.9	0	0	0	111.7	Y490 L494 R537 P624 N625 P626 M632	Y490-D628 HydrophobicContact CE1-CB 4.31Å; Y490-D628 PolarHBondContact OH-OD1 3.32Å; L494-D628 HydrophobicContact CD1-CB 4.32Å; L494-D628 HydrophobicContact CD2-CB 4.15Å; R537-D628 VanDerWaalsContact CZ-CG 3.42Å; R537-D628 IonicContact CZ-OD1 3.9Å; R537-D628 IonicContact CZ-OD2 2.96Å; R537-D628 IonicContact NE-OD1 2.77Å; R537-D628 IonicContact NH1-OD1 2.81Å; R537-D628 PolarHBondContact NH1-OD1 3.49Å; R537-D628 IonicContact NH1-OD2 2.86Å; R537-D628 PolarHBondContact NH1-OD2 3.47Å; R537-D628 IonicContact NH2-OD1 2.83Å; R537-D628 PolarHBondContact NH2-OD1 2.97Å; R537-D628 IonicContact NH2-OD2 2.9Å; R537-D628 PolarHBondContact NH2-OD2 3.18Å; P624-D628 HydrophobicContact CB-CB 4.22Å; N625-D628 WeakPolarHBondContact CB-OD2 3.33Å; N625-D628 WeakPolarHBondContact O-CA 3.39Å; N625-D628 WeakPolarHBondContact O-CB 3.38Å; N625-D628 PolarHBondContact O-N 2.97Å; P626-D628 PolarHBondContact O-N 2.95Å; D628-M632 WeakPolarHBondContact O-CB 3.49Å; D628-M632 WeakPolarHBondContact O-CG 3.24Å; D628-M632 PolarHBondContact O-N 3.02Å; D628-M632 VanDerWaalsContact O-N 3.11Å
629	A	73.7	Confident	69.4	Low	46 Å²	46	52.5 Å²	52.5	38%	0.38	27%	0.267	S	S	.	.	H	α-helix	trans	-78.7	-48.9	177.2	0	0	0	0	0	111.7	N625 P626 F631 M632 Q633	N625-A629 PolarHBondContact O-N 3.27Å; P626-A629 PolarHBondContact O-N 3.47Å; P626-A629 VanDerWaalsContact O-N 3.09Å; A629-F631 PolarHBondContact O-N 3.41Å; A629-M632 PolarHBondContact O-N 2.7Å; A629-M632 VanDerWaalsContact O-N 3.15Å; A629-Q633 PolarHBondContact O-N 2.96Å
630	D	75.5	Confident	70.6	Confident	27 Å²	27	51.9 Å²	51.9	14%	0.144	27%	0.273	C	S	.	.	H	α-helix	trans	-53.7	-42.3	173.3	-77.9	22.4	0	0	0	111.1	W543 R547 P626 F634	W543-D630 HydrophobicContact CH2-CB 4.21Å; W543-D630 HydrophobicContact CZ3-CB 3.84Å; R547-D630 IonicContact NH1-OD2 3.4Å; R547-D630 PolarHBondContact NH1-OD2 3.23Å; P626-D630 WeakPolarHBondContact O-CB 3.22Å; P626-D630 PolarHBondContact O-N 2.92Å; D630-F634 WeakPolarHBondContact O-CB 3.47Å; D630-F634 PolarHBondContact O-N 3.19Å
631	F	81.8	Confident	71.5	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-77.4	-28.9	-179.5	-169.5	-107.2	0	0	0	113.3	Y490 W539 A540 W543 F576 I627 A629 F634 L635	Y490-F631 HydrophobicContact CD1-CD1 4.26Å; Y490-F631 HydrophobicContact CD2-CE1 4.43Å; Y490-F631 AromaticContact CE1-CD1 3.91Å; Y490-F631 HydrophobicContact CE1-CD1 3.91Å; Y490-F631 HydrophobicContact CE2-CD1 4.2Å; Y490-F631 HydrophobicContact CE2-CE1 4.3Å; Y490-F631 AromaticContact CZ-CD1 3.88Å; W539-F631 HydrophobicContact CB-CE2 4.45Å; W539-F631 HydrophobicContact CB-CZ 4.04Å; A540-F631 HydrophobicContact CB-CB 3.79Å; A540-F631 HydrophobicContact CB-CD1 3.58Å; A540-F631 HydrophobicContact CB-CD2 3.96Å; A540-F631 HydrophobicContact CB-CE1 4.08Å; A540-F631 HydrophobicContact CB-CE2 4.44Å; A540-F631 HydrophobicContact CB-CG 3.49Å; A540-F631 VanDerWaalsContact CB-CG 3.49Å; A540-F631 HydrophobicContact CB-CZ 4.49Å; W543-F631 HydrophobicContact CD2-CD2 4.44Å; W543-F631 HydrophobicContact CE3-CB 4.45Å; W543-F631 AromaticContact CE3-CD2 3.91Å; W543-F631 HydrophobicContact CE3-CD2 3.91Å; W543-F631 HydrophobicContact CZ3-CB 4.26Å; W543-F631 HydrophobicContact CZ3-CD2 4.33Å; F576-F631 HydrophobicContact CE1-CZ 4.3Å; F576-F631 HydrophobicContact CZ-CE2 4.32Å; F576-F631 HydrophobicContact CZ-CZ 4.4Å; I627-F631 VanDerWaalsContact O-CB 3.25Å; I627-F631 WeakPolarHBondContact O-CB 3.2Å; I627-F631 PolarHBondContact O-N 3.45Å; A629-F631 PolarHBondContact O-N 3.41Å; F631-F634 HydrophobicContact CD2-CD1 4.06Å; F631-F634 HydrophobicContact CE2-CD1 4.01Å; F631-F634 HydrophobicContact CE2-CE1 4.38Å; F631-L635 HydrophobicContact CD1-CD1 4Å; F631-L635 HydrophobicContact CD1-CG 4.39Å; F631-L635 HydrophobicContact CE1-CD1 3.66Å; F631-L635 HydrophobicContact CE1-CG 4.12Å; F631-L635 HydrophobicContact CZ-CD1 4.29Å; F631-L635 HydrophobicContact CZ-CD2 4.35Å; F631-L635 HydrophobicContact CZ-CG 4.34Å; F631-L635 WeakPolarHBondContact O-CG 3.38Å; F631-L635 PolarHBondContact O-N 2.95Å
632	M	80.7	Confident	72.3	Confident	7 Å²	7	37.8 Å²	37.8	3%	0.034	21%	0.211	C	C	.	.	H	α-helix	trans	-63.3	-50.9	169.4	-90.3	-59.6	-48	0	0	110.8	Y490 H491 L494 Y615 D628 A629 F634 L635 D636	Y490-M632 HydrophobicContact CD1-CG 3.99Å; Y490-M632 HydrophobicContact CD1-SD 3.76Å; Y490-M632 HydrophobicContact CE1-CG 4.48Å; Y490-M632 HydrophobicContact CG-SD 4.45Å; H491-M632 HydrophobicContact CB-CE 3.88Å; H491-M632 HydrophobicContact CB-SD 4.08Å; L494-M632 HydrophobicContact CD1-CG 3.65Å; L494-M632 HydrophobicContact CD1-SD 4.18Å; Y615-M632 HydrophobicContact CE1-CE 4.27Å; Y615-M632 VanDerWaalsContact OH-CE 3.23Å; Y615-M632 WeakPolarHBondContact OH-CE 3.46Å; D628-M632 WeakPolarHBondContact O-CB 3.49Å; D628-M632 WeakPolarHBondContact O-CG 3.24Å; D628-M632 PolarHBondContact O-N 3.02Å; D628-M632 VanDerWaalsContact O-N 3.11Å; A629-M632 PolarHBondContact O-N 2.7Å; A629-M632 VanDerWaalsContact O-N 3.15Å; M632-F634 VanDerWaalsContact C-N 3.29Å; M632-F634 PolarHBondContact O-N 2.94Å; M632-L635 CarbonylContact O-C 2.91Å; M632-L635 WeakPolarHBondContact O-CA 3.39Å; M632-L635 PolarHBondContact O-N 3.41Å; M632-D636 PolarHBondContact O-N 3.05Å
633	Q	77.6	Confident	73	Confident	36 Å²	36	35.9 Å²	35.9	17%	0.168	21%	0.205	C	C	.	.	H	α-helix	trans	-62.9	-36.3	178.7	-173.7	65.8	60.2	0	0	111.9	W603 A629 L635 D636 D637	W603-Q633 HydrophobicContact CH2-CB 3.96Å; W603-Q633 HydrophobicContact CH2-CG 3.79Å; W603-Q633 HydrophobicContact CZ2-CB 4.43Å; W603-Q633 HydrophobicContact CZ2-CG 3.89Å; A629-Q633 PolarHBondContact O-N 2.96Å; Q633-L635 VanDerWaalsContact C-N 3.33Å; Q633-L635 PolarHBondContact O-N 3.43Å; Q633-D636 WeakPolarHBondContact O-CB 3.35Å; Q633-D636 PolarHBondContact O-N 2.97Å; Q633-D637 PolarHBondContact NE2-OD1 3.13Å; Q633-D637 PolarHBondContact O-N 3.26Å; Q633-D637 VanDerWaalsContact O-OD1 3.08Å
634	F	80.8	Confident	73.1	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.9	-36.1	172	169.4	-98.5	0	0	0	113	W543 F576 L600 W603 D630 F631 M632 L638 L643	W543-F634 HydrophobicContact CH2-CB 3.88Å; W543-F634 HydrophobicContact CH2-CG 4.34Å; W543-F634 HydrophobicContact CZ2-CB 4.11Å; W543-F634 HydrophobicContact CZ2-CD2 4.19Å; W543-F634 HydrophobicContact CZ2-CG 4.11Å; W543-F634 HydrophobicContact CZ3-CB 4.48Å; F576-F634 HydrophobicContact CD2-CE1 4.04Å; F576-F634 HydrophobicContact CD2-CZ 4.42Å; F576-F634 AromaticContact CE2-CE1 3.72Å; F576-F634 HydrophobicContact CE2-CE1 3.72Å; F576-F634 HydrophobicContact CE2-CZ 4.15Å; L600-F634 HydrophobicContact CD2-CE1 4.31Å; L600-F634 HydrophobicContact CD2-CE2 3.81Å; L600-F634 HydrophobicContact CD2-CZ 3.4Å; W603-F634 HydrophobicContact CD2-CD2 4.38Å; W603-F634 HydrophobicContact CE3-CB 4.49Å; W603-F634 HydrophobicContact CH2-CB 4.26Å; W603-F634 HydrophobicContact CZ3-CB 4.26Å; D630-F634 WeakPolarHBondContact O-CB 3.47Å; D630-F634 PolarHBondContact O-N 3.19Å; F631-F634 HydrophobicContact CD2-CD1 4.06Å; F631-F634 HydrophobicContact CE2-CD1 4.01Å; F631-F634 HydrophobicContact CE2-CE1 4.38Å; M632-F634 VanDerWaalsContact C-N 3.29Å; M632-F634 PolarHBondContact O-N 2.94Å; F634-L638 HydrophobicContact CE1-CD1 4.05Å; F634-L638 HydrophobicContact CE2-CD1 4.46Å; F634-L638 HydrophobicContact CZ-CD1 3.67Å; F634-L638 VanDerWaalsContact O-CB 3.32Å; F634-L638 WeakPolarHBondContact O-CB 3.39Å; F634-L638 PolarHBondContact O-N 3.14Å; F634-L643 HydrophobicContact CE2-CD1 4.17Å
635	L	79.6	Confident	72.8	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-73	-36.3	174	-71.4	177	0	0	0	112.3	F631 M632 Q633 L638 V639	F631-L635 HydrophobicContact CD1-CD1 4Å; F631-L635 HydrophobicContact CD1-CG 4.39Å; F631-L635 HydrophobicContact CE1-CD1 3.66Å; F631-L635 HydrophobicContact CE1-CG 4.12Å; F631-L635 HydrophobicContact CZ-CD1 4.29Å; F631-L635 HydrophobicContact CZ-CD2 4.35Å; F631-L635 HydrophobicContact CZ-CG 4.34Å; F631-L635 WeakPolarHBondContact O-CG 3.38Å; F631-L635 PolarHBondContact O-N 2.95Å; M632-L635 CarbonylContact O-C 2.91Å; M632-L635 WeakPolarHBondContact O-CA 3.39Å; M632-L635 PolarHBondContact O-N 3.41Å; Q633-L635 VanDerWaalsContact C-N 3.33Å; Q633-L635 PolarHBondContact O-N 3.43Å; L635-L638 PolarHBondContact O-N 3Å; L635-V639 WeakPolarHBondContact O-CB 3.45Å; L635-V639 VanDerWaalsContact O-CG2 3.32Å; L635-V639 WeakPolarHBondContact O-CG2 3.36Å; L635-V639 PolarHBondContact O-N 3.14Å
636	D	78.3	Confident	72.1	Confident	22 Å²	22	39 Å²	39	12%	0.118	22%	0.219	C	C	.	.	H	α-helix	trans	-57.2	-57.9	170.8	-76.6	-29.8	0	0	0	110.1	H487 Y615 M632 Q633 L638 V639 S640	H487-D636 IonicContact CD2-OD1 3.88Å; H487-D636 IonicContact NE2-OD1 3.1Å; H487-D636 PolarHBondContact NE2-OD1 2.75Å; Y615-D636 PolarHBondContact OH-OD1 3.48Å; Y615-D636 PolarHBondContact OH-OD2 3.13Å; M632-D636 PolarHBondContact O-N 3.05Å; Q633-D636 WeakPolarHBondContact O-CB 3.35Å; Q633-D636 PolarHBondContact O-N 2.97Å; D636-L638 PolarHBondContact O-N 2.75Å; D636-L638 VanDerWaalsContact O-N 3.16Å; D636-V639 PolarHBondContact O-N 2.86Å; D636-S640 WeakPolarHBondContact O-CB 3.48Å; D636-S640 PolarHBondContact O-N 3.18Å; D636-S640 PolarHBondContact O-OG 3.41Å
637	D	76.4	Confident	71	Confident	7 Å²	7	39 Å²	39	4%	0.037	21%	0.212	C	C	.	.	H	α-helix	trans	-54.7	-36.6	180	-78	35	0	0	0	113.1	W603 Q633 G641 I642 L643	W603-D637 WeakPolarHBondContact CZ2-OD2 3.21Å; W603-D637 PolarHBondContact NE1-OD2 3.27Å; Q633-D637 PolarHBondContact NE2-OD1 3.13Å; Q633-D637 PolarHBondContact O-N 3.26Å; Q633-D637 VanDerWaalsContact O-OD1 3.08Å; D637-G641 PolarHBondContact O-N 3.35Å; D637-I642 PolarHBondContact O-N 3.38Å; D637-L643 HydrophobicContact CB-CD1 4.4Å; D637-L643 HydrophobicContact CB-CD2 4.16Å; D637-L643 HydrophobicContact CB-CG 4.16Å
638	L	75.3	Confident	69	Low	3 Å²	3	44.2 Å²	44.2	2%	0.016	24%	0.239	C	C	.	.	H	α-helix	trans	-74.7	-37.9	178.6	-171.9	153.5	0	0	0	112.4	C483 F576 F580 F634 L635 D636 L643	C483-L638 HydrophobicContact CB-CD2 3.86Å; F576-L638 HydrophobicContact CD2-CD1 4.12Å; F580-L638 HydrophobicContact CB-CD1 4.26Å; F580-L638 HydrophobicContact CG-CD1 4.4Å; F634-L638 HydrophobicContact CE1-CD1 4.05Å; F634-L638 HydrophobicContact CE2-CD1 4.46Å; F634-L638 HydrophobicContact CZ-CD1 3.67Å; F634-L638 VanDerWaalsContact O-CB 3.32Å; F634-L638 WeakPolarHBondContact O-CB 3.39Å; F634-L638 PolarHBondContact O-N 3.14Å; L635-L638 PolarHBondContact O-N 3Å; D636-L638 PolarHBondContact O-N 2.75Å; D636-L638 VanDerWaalsContact O-N 3.16Å; L638-L643 HydrophobicContact CB-CD1 4.04Å
639	V	75	Confident	67	Low	56 Å²	56	49.3 Å²	49.3	34%	0.339	27%	0.272	S	S	.	.	H	α-helix	trans	-74.7	-35.5	175.6	170.5	0	0	0	0	111.4	C483 Y484 H487 L635 D636 G641	C483-V639 HydrophobicContact CB-CG2 4.32Å; Y484-V639 HydrophobicContact CD2-CG1 4.39Å; H487-V639 HydrophobicContact CB-CG2 4.12Å; L635-V639 WeakPolarHBondContact O-CB 3.45Å; L635-V639 VanDerWaalsContact O-CG2 3.32Å; L635-V639 WeakPolarHBondContact O-CG2 3.36Å; L635-V639 PolarHBondContact O-N 3.14Å; D636-V639 PolarHBondContact O-N 2.86Å; V639-G641 VanDerWaalsContact C-N 3.25Å; V639-G641 PolarHBondContact O-N 3.35Å
640	S	71.2	Confident	64.8	Low	79 Å²	79	53.2 Å²	53.2	55%	0.552	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-9	175	-64.8	0	0	0	0	114.2	D636 I642	D636-S640 WeakPolarHBondContact O-CB 3.48Å; D636-S640 PolarHBondContact O-N 3.18Å; D636-S640 PolarHBondContact O-OG 3.41Å; S640-I642 PolarHBondContact O-N 3.14Å
641	G	68	Low	62.6	Low	17 Å²	17	58.9 Å²	58.9	18%	0.175	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	3.9	176.3	0	0	0	0	0	115.6	D637 V639 L643 I644	D637-G641 PolarHBondContact O-N 3.35Å; V639-G641 VanDerWaalsContact C-N 3.25Å; V639-G641 PolarHBondContact O-N 3.35Å; G641-L643 PolarHBondContact O-N 3.09Å; G641-L643 VanDerWaalsContact O-N 3.16Å; G641-I644 WeakPolarHBondContact O-CB 3.27Å; G641-I644 PolarHBondContact O-N 3.21Å
642	I	66.1	Low	60	Low	54 Å²	54	65.8 Å²	65.8	28%	0.277	36%	0.359	S	S	.	.	H	α-helix	trans	-56.3	-35.4	-178.6	-60.7	170.7	0	0	0	110.8	D637 S640 I644 Q645	D637-I642 PolarHBondContact O-N 3.38Å; S640-I642 PolarHBondContact O-N 3.14Å; I642-I644 PolarHBondContact O-N 3.12Å; I642-I644 VanDerWaalsContact O-N 3.13Å; I642-Q645 PolarHBondContact O-N 3.37Å
643	L	63.7	Low	57.6	Low	11 Å²	11	72.5 Å²	72.5	6%	0.058	40%	0.395	C	S	.	.	H	α-helix	trans	-63.8	-12.6	177.6	-56.4	-178.2	0	0	0	114.7	F580 I599 F634 D637 L638 G641	F580-L643 HydrophobicContact CE2-CB 3.79Å; F580-L643 HydrophobicContact CE2-CD1 4.34Å; F580-L643 HydrophobicContact CZ-CB 3.98Å; F580-L643 HydrophobicContact CZ-CD1 4.33Å; I599-L643 HydrophobicContact CG2-CB 4.5Å; I599-L643 HydrophobicContact CG2-CD1 4.49Å; I599-L643 HydrophobicContact CG2-CD2 4.26Å; F634-L643 HydrophobicContact CE2-CD1 4.17Å; D637-L643 HydrophobicContact CB-CD1 4.4Å; D637-L643 HydrophobicContact CB-CD2 4.16Å; D637-L643 HydrophobicContact CB-CG 4.16Å; L638-L643 HydrophobicContact CB-CD1 4.04Å; G641-L643 PolarHBondContact O-N 3.09Å; G641-L643 VanDerWaalsContact O-N 3.16Å
644	I	60	Low	55.3	Low	43 Å²	43	76.5 Å²	76.5	22%	0.221	42%	0.422	C	S	.	.	H	α-helix	trans	-99.9	-35.2	179	-54.1	164.9	0	0	0	110.5	F580 Q583 A587 G641 I642 Q646 H647	F580-I644 HydrophobicContact CE2-CG1 4.35Å; Q583-I644 HydrophobicContact CB-CD1 3.8Å; Q583-I644 HydrophobicContact CG-CD1 4.25Å; A587-I644 HydrophobicContact CB-CG2 3.98Å; G641-I644 WeakPolarHBondContact O-CB 3.27Å; G641-I644 PolarHBondContact O-N 3.21Å; I642-I644 PolarHBondContact O-N 3.12Å; I642-I644 VanDerWaalsContact O-N 3.13Å; I644-Q646 VanDerWaalsContact C-N 3.26Å; I644-Q646 PolarHBondContact O-N 3.24Å; I644-H647 PolarHBondContact O-N 3.41Å
645	Q	53.7	Low	52.9	Low	143 Å²	143	82.9 Å²	82.9	67%	0.668	46%	0.456	S	S	*	.	H	α-helix	trans	-68.4	-20.3	-172.4	-70	-179.6	-26.6	0	0	114.2	I642 H647	I642-Q645 PolarHBondContact O-N 3.37Å; Q645-H647 PolarHBondContact O-N 3.2Å; Q645-H647 VanDerWaalsContact O-N 3.12Å
646	Q	52.8	Low	50.5	Low	164 Å²	164	91 Å²	91	77%	0.766	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	2.6	177.3	-64	-173.2	-11.9	0	0	114.6	I644	I644-Q646 VanDerWaalsContact C-N 3.26Å; I644-Q646 PolarHBondContact O-N 3.24Å
647	H	47.2	Very low	48.3	Very low	73 Å²	73	96.1 Å²	96.1	34%	0.338	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	8	-171.8	-90.7	-74.3	0	0	0	116.2	E595 R598 I644 Q645 P649	E595-H647 IonicContact OE1-CE1 2.69Å; E595-H647 PolarHBondContact OE1-CE1 2.72Å; E595-H647 IonicContact OE1-NE2 3.58Å; E595-H647 PolarHBondContact OE1-NE2 2.95Å; R598-H647 PolarHBondContact NH2-NE2 3.33Å; I644-H647 PolarHBondContact O-N 3.41Å; Q645-H647 PolarHBondContact O-N 3.2Å; Q645-H647 VanDerWaalsContact O-N 3.12Å; H647-P649 VanDerWaalsContact O-CD 3.32Å; H647-P649 WeakPolarHBondContact O-CD 3.28Å
648	I	35.2	Very low	45.9	Very low	137 Å²	137	100.3 Å²	100.3	70%	0.703	56%	0.556	S	S	*	*			trans	-88	111.7	171.7	-56.6	177.1	0	0	0	108.9	T650	I648-T650 PolarHBondContact O-N 2.6Å
649	P	34.9	Very low	43.9	Very low	111 Å²	111	108.2 Å²	108.2	72%	0.721	60%	0.597	S	S	*	*			trans	-79.9	111.4	173.2	-1.2	21.2	0	0	0	108.4	H647 N651	H647-P649 VanDerWaalsContact O-CD 3.32Å; H647-P649 WeakPolarHBondContact O-CD 3.28Å; P649-N651 PolarHBondContact O-N 3.15Å
650	T	27.3	Very low	41.7	Very low	128 Å²	128	109.7 Å²	109.7	79%	0.785	62%	0.615	S	S	*	*			trans	-74.7	72.6	175	51.2	0	0	0	0	110.4	I648 N652	I648-T650 PolarHBondContact O-N 2.6Å; T650-N652 PolarHBondContact O-N 3.04Å
651	N	29.7	Very low	40	Very low	145 Å²	145	110.5 Å²	110.5	78%	0.775	62%	0.618	S	S	*	*			trans	-84.4	66	-177.2	-157.1	58.6	0	0	0	111.6	P649 N653	P649-N651 PolarHBondContact O-N 3.15Å; N651-N653 PolarHBondContact O-N 3.19Å; N651-N653 VanDerWaalsContact O-N 3.11Å
652	N	25.7	Very low	38.3	Very low	146 Å²	146	117.8 Å²	117.8	78%	0.781	65%	0.647	S	S	*	*			trans	-65.8	104.2	159.7	-78	-2.2	0	0	0	107.7	T650	T650-N652 PolarHBondContact O-N 3.04Å
653	N	31.9	Very low	36.7	Very low	148 Å²	148	119.5 Å²	119.5	79%	0.791	66%	0.664	S	S	*	*			trans	-166.4	126.2	142.8	-94.4	-23.5	0	0	0	110.7	N651	N651-N653 PolarHBondContact O-N 3.19Å; N651-N653 VanDerWaalsContact O-N 3.11Å
654	T	28.5	Very low	35.2	Very low	120 Å²	120	125 Å²	125	74%	0.736	69%	0.693	S	S	*	*			trans	-40.9	136.2	173.5	50.9	0	0	0	0	115.3
655	N	30.9	Very low	33.9	Very low	134 Å²	134	130.5 Å²	130.5	72%	0.717	72%	0.718	S	S	*	*				-175.5	135.4	105.9	-86.3	0	0	0	0	111.9
656	E	28.5	Very low	32.9	Very low	169 Å²	169	130.9 Å²	130.9	79%	0.79	72%	0.724	S	S	*	*			trans	25.6	129.7	137.5	-60.9	168.1	175.6	0	0	118.8
657	T	32	Very low	31.7	Very low	130 Å²	130	129.6 Å²	129.6	80%	0.798	72%	0.722	S	S	*	*			cis	-157.2	146.9	46.9	-5.5	0	0	0	0	114.3
658	S	26.9	Very low	30.9	Very low	95 Å²	95	132.6 Å²	132.6	66%	0.664	74%	0.741	S	S	*	*			trans	11.2	125.8	151.6	61.5	0	0	0	0	121.8
659	I	32.2	Very low	30.8	Very low	170 Å²	170	130.6 Å²	130.6	87%	0.872	74%	0.739	S	S	*	*				-173.3	140.1	99.5	-88.9	155.8	0	0	0	109.5
660	A	28.6	Very low	30.6	Very low	87 Å²	87	132.1 Å²	132.1	72%	0.719	74%	0.741	S	S	*	*			trans	-133.6	-161.9	179.9	0	0	0	0	0	108.1
661	P	35.3	Very low	30.8	Very low	96 Å²	96	134.8 Å²	134.8	62%	0.623	75%	0.745	S	S	*	*			cis	-121.7	177.5	-14	17.2	9.4	0	0	0	112.4
662	H	33.7	Very low	30.7	Very low	169 Å²	169	136.6 Å²	136.6	78%	0.782	75%	0.749	S	S	*	*				171.2	157.6	87.2	-81.9	-74.7	0	0	0	107.4
663	S	32.8	Very low	30.9	Very low	91 Å²	91	133.1 Å²	133.1	64%	0.636	75%	0.747	S	S	*	*			cis	-163.8	148.1	2.9	43	0	0	0	0	112.5
664	N	32.4	Very low	30.7	Very low	126 Å²	126	131 Å²	131	67%	0.674	74%	0.74	S	S	*	*			trans	68.1	112.9	147	-61.5	8	0	0	0	119.5
665	Q	32.2	Very low	30.7	Very low	158 Å²	158	130.9 Å²	130.9	74%	0.738	74%	0.742	S	S	*	*				82.6	139.3	84.1	-74.4	163.9	-6.9	0	0	113
666	L	31.6	Very low	30.6	Very low	151 Å²	151	130.4 Å²	130.4	79%	0.791	74%	0.74	S	S	*	*			cis	-128.9	156.3	9.7	-77	97.4	0	0	0	110
667	N	28.7	Very low	30.5	Very low	138 Å²	138	130 Å²	130	74%	0.738	74%	0.737	S	S	*	*				67.3	125.1	55	-80.3	33.7	0	0	0	113.9
668	N	31	Very low	30.5	Very low	136 Å²	136	128.5 Å²	128.5	73%	0.727	74%	0.738	S	S	*	*			cis	-123.1	-137.8	-5.8	-68.1	-13.5	0	0	0	109.4
669	S	31.6	Very low	30.6	Very low	95 Å²	95	129.8 Å²	129.8	66%	0.664	74%	0.738	S	S	*	*			cis	-166.4	153.1	-4.1	31.3	0	0	0	0	111.6
670	D	30.4	Very low	30.3	Very low	142 Å²	142	130.4 Å²	130.4	76%	0.759	74%	0.737	S	S	*	*			trans	24.1	145.7	133.3	-34.9	-44.4	0	0	0	120.8
671	E	32.6	Very low	30.4	Very low	184 Å²	184	133.5 Å²	133.5	86%	0.86	75%	0.747	S	S	*	*			cis	-133.9	139.1	12.8	-62.1	172.1	127.5	0	0	109.5
672	Q	26.5	Very low	29.9	Very low	184 Å²	184	139.8 Å²	139.8	86%	0.86	76%	0.759	S	S	*	*				63.2	135.5	76.8	-65.1	-154.9	15.2	0	0	118.3
673	G	31.5	Very low	29.7	Very low	73 Å²	73	138.8 Å²	138.8	75%	0.753	76%	0.758	S	S	*	*			trans	133.6	64.9	-178.1	0	0	0	0	0	113.5
674	V	27.8	Very low	29.3	Very low	104 Å²	104	142.6 Å²	142.6	63%	0.63	77%	0.771	S	S	*	*				69.7	105.4	59.9	179.8	0	0	0	0	114.2
675	C	28	Very low	29	Very low	117 Å²	117	141.5 Å²	141.5	79%	0.791	77%	0.773	S	S	*	*			trans	179.1	90	143.9	-92.5	0	0	0	0	107.8
676	N	29.5	Very low	28.9	Very low	124 Å²	124	140.1 Å²	140.1	66%	0.663	78%	0.776	S	S	*	*				72.4	110.2	83.9	-59	6.3	0	0	0	111.2
677	E	25.2	Very low	28.7	Very low	159 Å²	159	138 Å²	138	74%	0.743	77%	0.774	S	S	*	*				77.1	118.5	53.1	-65.6	-164.4	168.1	0	0	115.3
678	A	31.8	Very low	28.6	Very low	99 Å²	99	140.2 Å²	140.2	82%	0.818	78%	0.779	S	S	*	*			trans	-171.7	65.3	167.3	0	0	0	0	0	107.7
679	N	29.1	Very low	28.6	Very low	123 Å²	123	142.1 Å²	142.1	66%	0.658	79%	0.788	S	S	*	*				66.4	104	84.2	-69.5	-10	0	0	0	115.3
680	E	25.7	Very low	28.3	Very low	183 Å²	183	143 Å²	143	86%	0.855	79%	0.794	S	S	*	*			trans	45.1	109.8	139	-53.3	-160.6	136.1	0	0	120.8
681	T	30.8	Very low	28.3	Very low	152 Å²	152	144.8 Å²	144.8	93%	0.933	80%	0.798	S	S	*	*			trans	-124.7	85.8	145.1	23.6	0	0	0	0	111.2
682	R	25.7	Very low	28.1	Very low	227 Å²	227	144.9 Å²	144.9	86%	0.857	80%	0.798	S	S	*	*			trans	-29.2	137.6	158.9	-159.8	-171.5	-129.3	176.3	3.1	114.5
683	I	30	Very low	28.2	Very low	149 Å²	149	144.4 Å²	144.4	76%	0.764	80%	0.802	S	S	*	*			trans	162	142	133.3	-84.2	155.7	0	0	0	111.9
684	N	24	Very low	28.1	Very low	170 Å²	170	146.8 Å²	146.8	91%	0.909	80%	0.802	S	S	*	*			trans	-94.5	112.6	175.6	-70.5	-35.9	0	0	0	112
685	S	26.4	Very low	28.2	Very low	103 Å²	103	146.5 Å²	146.5	72%	0.72	81%	0.81	S	S	*	*			trans	174.5	143.5	161	54.8	0	0	0	0	108.9
686	T	29.5	Very low	28.3	Very low	130 Å²	130	147.1 Å²	147.1	80%	0.798	80%	0.8	S	S	*	*			cis	-134.9	170.9	7.5	46.2	0	0	0	0	111.8
687	S	26.4	Very low	28.9	Very low	107 Å²	107	148.4 Å²	148.4	75%	0.748	80%	0.799	S	S	*	*			trans	-82.5	127.3	164.6	50.5	0	0	0	0	111.7
688	E	27	Very low	30.1	Very low	184 Å²	184	148 Å²	148	86%	0.86	80%	0.798	S	S	*	*			trans	-168.9	37.2	159	-117.8	162.9	-135	0	0	116.9
689	I	30.8	Very low	31	Very low	176 Å²	176	144.9 Å²	144.9	90%	0.903	77%	0.767	S	S	*	*			trans	-131.6	72.6	167.2	-47.1	-179.6	0	0	0	111.2
690	S	26.7	Very low	32.6	Very low	114 Å²	114	142.2 Å²	142.2	80%	0.797	76%	0.755	S	S	*	*			trans	-114	56.7	177.4	58.5	0	0	0	0	112.7
691	E	29.1	Very low	33.7	Very low	179 Å²	179	137.8 Å²	137.8	84%	0.836	73%	0.733	S	S	*	*			trans	-156.3	57.2	176.8	-127	168	-124.1	0	0	116.1
692	Q	28.4	Very low	34.9	Very low	186 Å²	186	134.4 Å²	134.4	87%	0.869	72%	0.716	S	S	*	*			trans	-160.3	28.1	162	-121.3	154	93.5	0	0	116.5	T694	Q692-T694 PolarHBondContact O-N 3.24Å; Q692-T694 VanDerWaalsContact O-N 3.14Å
693	N	28	Very low	36.3	Very low	174 Å²	174	126.5 Å²	126.5	93%	0.93	69%	0.689	S	S	*	*			trans	-87.5	69.1	-179.3	-92.1	-34.4	0	0	0	113.5	A695	N693-A695 VanDerWaalsContact C-N 3.31Å; N693-A695 PolarHBondContact O-N 3.49Å
694	T	31.2	Very low	37.3	Very low	123 Å²	123	119.4 Å²	119.4	76%	0.755	65%	0.653	S	S	*	*			trans	-74	80.5	172.3	55.5	0	0	0	0	112.2	Q692 F696	Q692-T694 PolarHBondContact O-N 3.24Å; Q692-T694 VanDerWaalsContact O-N 3.14Å; T694-F696 PolarHBondContact O-N 3.26Å
695	A	28.8	Very low	38.8	Very low	98 Å²	98	116 Å²	116	81%	0.81	63%	0.63	S	S	*	*			trans	51.9	48	153.5	0	0	0	0	0	118.8	N693 K697	N693-A695 VanDerWaalsContact C-N 3.31Å; N693-A695 PolarHBondContact O-N 3.49Å; A695-K697 PolarHBondContact O-N 2.68Å; A695-K697 VanDerWaalsContact O-N 3.11Å
696	F	29.3	Very low	40.4	Very low	129 Å²	129	118.7 Å²	118.7	57%	0.566	62%	0.624	S	S	*	*			trans	-71.2	99.4	162	-97.8	-91.5	0	0	0	111	T551 T694 Q698	T551-F696 HydrophobicContact CG2-CE1 3.95Å; T694-F696 PolarHBondContact O-N 3.26Å; F696-Q698 PolarHBondContact O-N 2.95Å
697	K	44.1	Very low	41.7	Very low	151 Å²	151	114.6 Å²	114.6	66%	0.657	60%	0.597	S	S	*	*			trans	-81.7	94.4	173.6	-139	-170.5	-177.8	-123.3	0	110.6	A695 E703	A695-K697 PolarHBondContact O-N 2.68Å; A695-K697 VanDerWaalsContact O-N 3.11Å; K697-E703 IonicContact NZ-OE1 3.95Å; K697-E703 PolarHBondContact NZ-OE1 3.15Å
698	Q	50.2	Low	43.1	Very low	151 Å²	151	110.3 Å²	110.3	71%	0.706	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-63.6	136.2	168.6	-71.7	-178.9	-22.3	0	0	109.9	F696 T700	F696-Q698 PolarHBondContact O-N 2.95Å; Q698-T700 PolarHBondContact O-N 3.19Å
699	L	50.7	Low	44.8	Very low	33 Å²	33	106.7 Å²	106.7	17%	0.173	55%	0.548	C	S	.	.	P	Polyproline II helix	trans	-72	120.6	172.7	-84.3	164.1	0	0	0	109.8	I550 Y597 E703 I707	I550-L699 HydrophobicContact CD1-CD1 3.93Å; Y597-L699 HydrophobicContact CE1-CD1 4.16Å; L699-E703 HydrophobicContact CD2-CB 3.76Å; L699-I707 HydrophobicContact CD2-CD1 4.09Å
700	T	60.8	Low	46.5	Very low	67 Å²	67	100.3 Å²	100.3	41%	0.411	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-70.6	154.6	170.8	56.7	0	0	0	0	111.2	Q698 S702 E703 S704	Q698-T700 PolarHBondContact O-N 3.19Å; T700-S702 PolarHBondContact O-N 3.27Å; T700-S702 PolarHBondContact OG1-OG 3.4Å; T700-E703 WeakPolarHBondContact CB-OE2 3.15Å; T700-E703 PolarHBondContact N-OE2 3.36Å; T700-E703 PolarHBondContact O-N 2.93Å; T700-E703 WeakPolarHBondContact OG1-CB 3.18Å; T700-E703 VanDerWaalsContact OG1-CD 3.31Å; T700-E703 VanDerWaalsContact OG1-CG 3.26Å; T700-E703 WeakPolarHBondContact OG1-CG 3.48Å; T700-E703 PolarHBondContact OG1-N 3.27Å; T700-E703 PolarHBondContact OG1-OE2 3.2Å; T700-S704 PolarHBondContact O-N 2.98Å; T700-S704 PolarHBondContact O-OG 2.74Å
701	F	50.2	Low	48.1	Very low	90 Å²	90	95.3 Å²	95.3	40%	0.395	48%	0.479	S	S	.	.	H	α-helix	trans	-57.9	-30.3	176.6	179.8	-90.6	0	0	0	112.7	D591 T594 S704 K705	D591-F701 HydrophobicContact CB-CE2 4.23Å; D591-F701 HydrophobicContact CB-CZ 3.88Å; D591-F701 VanDerWaalsContact OD2-CZ 3.31Å; D591-F701 WeakPolarHBondContact OD2-CZ 3.47Å; T594-F701 HydrophobicContact CG2-CD2 3.63Å; T594-F701 HydrophobicContact CG2-CE2 3.52Å; T594-F701 HydrophobicContact CG2-CG 4.19Å; T594-F701 HydrophobicContact CG2-CZ 4Å; F701-S704 WeakPolarHBondContact CA-OG 3.46Å; F701-S704 PolarHBondContact O-OG 3.09Å; F701-S704 VanDerWaalsContact O-OG 3.07Å; F701-K705 HydrophobicContact CE1-CD 4.19Å; F701-K705 VanDerWaalsContact O-CB 3.23Å; F701-K705 WeakPolarHBondContact O-CB 3.4Å; F701-K705 PolarHBondContact O-N 3.39Å; F701-K705 VanDerWaalsContact O-N 3.1Å
702	S	54.9	Low	49.9	Very low	82 Å²	82	90.9 Å²	90.9	57%	0.573	46%	0.459	S	S	*	.	H	α-helix	trans	-73.1	-38.3	173.6	48.8	0	0	0	0	112.9	T700 W706	T700-S702 PolarHBondContact O-N 3.27Å; T700-S702 PolarHBondContact OG1-OG 3.4Å; S702-W706 VanDerWaalsContact O-CB 3.29Å; S702-W706 WeakPolarHBondContact O-CB 3.46Å; S702-W706 PolarHBondContact O-N 2.88Å
703	E	56.5	Low	51.9	Low	60 Å²	60	83.3 Å²	83.3	28%	0.28	42%	0.424	S	S	.	.	H	α-helix	trans	-65.2	-44.5	173.5	-77.3	165	133.1	0	0	111.7	K697 L699 T700 W706 I707	K697-E703 IonicContact NZ-OE1 3.95Å; K697-E703 PolarHBondContact NZ-OE1 3.15Å; L699-E703 HydrophobicContact CD2-CB 3.76Å; T700-E703 WeakPolarHBondContact CB-OE2 3.15Å; T700-E703 PolarHBondContact N-OE2 3.36Å; T700-E703 PolarHBondContact O-N 2.93Å; T700-E703 WeakPolarHBondContact OG1-CB 3.18Å; T700-E703 VanDerWaalsContact OG1-CD 3.31Å; T700-E703 VanDerWaalsContact OG1-CG 3.26Å; T700-E703 WeakPolarHBondContact OG1-CG 3.48Å; T700-E703 PolarHBondContact OG1-N 3.27Å; T700-E703 PolarHBondContact OG1-OE2 3.2Å; E703-W706 PolarHBondContact O-N 3.08Å; E703-I707 VanDerWaalsContact O-CG1 3.28Å; E703-I707 WeakPolarHBondContact O-CG1 3.27Å; E703-I707 PolarHBondContact O-N 2.78Å
704	S	51.2	Low	54	Low	1 Å²	1	75.9 Å²	75.9	1%	0.007	38%	0.383	C	S	.	.	H	α-helix	trans	-64.5	-45.2	177	55.6	0	0	0	0	112.1	T594 T700 F701 W706 I707 I708	T594-S704 VanDerWaalsContact CG2-OG 3.25Å; T594-S704 WeakPolarHBondContact CG2-OG 3.43Å; T700-S704 PolarHBondContact O-N 2.98Å; T700-S704 PolarHBondContact O-OG 2.74Å; F701-S704 WeakPolarHBondContact CA-OG 3.46Å; F701-S704 PolarHBondContact O-OG 3.09Å; F701-S704 VanDerWaalsContact O-OG 3.07Å; S704-W706 VanDerWaalsContact C-N 3.3Å; S704-W706 PolarHBondContact O-N 3.33Å; S704-I707 PolarHBondContact O-N 2.77Å; S704-I708 WeakPolarHBondContact O-CG1 3.2Å; S704-I708 PolarHBondContact O-N 3.16Å; S704-I708 VanDerWaalsContact O-N 3.09Å
705	K	55.2	Low	55.8	Low	99 Å²	99	74.3 Å²	74.3	43%	0.43	37%	0.367	S	S	.	.	H	α-helix	trans	-59.8	-38.4	174.7	-168.8	160.9	-174.6	161.6	0	112.3	D591 T594 F701 H709	D591-K705 IonicContact OD1-NZ 2.74Å; D591-K705 IonicContact OD2-NZ 3.94Å; D591-K705 PolarHBondContact OD2-NZ 3.08Å; T594-K705 HydrophobicContact CG2-CB 4.05Å; F701-K705 HydrophobicContact CE1-CD 4.19Å; F701-K705 VanDerWaalsContact O-CB 3.23Å; F701-K705 WeakPolarHBondContact O-CB 3.4Å; F701-K705 PolarHBondContact O-N 3.39Å; F701-K705 VanDerWaalsContact O-N 3.1Å; K705-H709 WeakPolarHBondContact O-CB 3.38Å; K705-H709 PolarHBondContact O-N 3.45Å; K705-H709 VanDerWaalsContact O-N 3.13Å
706	W	60.3	Low	57.9	Low	158 Å²	158	72.4 Å²	72.4	60%	0.598	35%	0.345	S	S	*	.	H	α-helix	trans	-67.4	-40.4	175.6	-176	87.6	0	0	0	113.1	S702 E703 S704 H709 Q710	S702-W706 VanDerWaalsContact O-CB 3.29Å; S702-W706 WeakPolarHBondContact O-CB 3.46Å; S702-W706 PolarHBondContact O-N 2.88Å; E703-W706 PolarHBondContact O-N 3.08Å; S704-W706 VanDerWaalsContact C-N 3.3Å; S704-W706 PolarHBondContact O-N 3.33Å; W706-H709 PolarHBondContact O-N 3.35Å; W706-Q710 HydrophobicContact CD2-CG 4.07Å; W706-Q710 HydrophobicContact CE3-CG 4.24Å; W706-Q710 HydrophobicContact CH2-CG 3.95Å; W706-Q710 HydrophobicContact CZ2-CG 3.75Å; W706-Q710 HydrophobicContact CZ3-CG 4.19Å; W706-Q710 WeakPolarHBondContact O-CG 3.11Å; W706-Q710 PolarHBondContact O-N 3.23Å
707	I	55.3	Low	60.3	Low	44 Å²	44	66.3 Å²	66.3	23%	0.226	32%	0.319	C	S	.	.	H	α-helix	trans	-61.1	-48.4	176.5	-71	164.1	0	0	0	110.5	L699 E703 S704 H709 Q710 T711	L699-I707 HydrophobicContact CD2-CD1 4.09Å; E703-I707 VanDerWaalsContact O-CG1 3.28Å; E703-I707 WeakPolarHBondContact O-CG1 3.27Å; E703-I707 PolarHBondContact O-N 2.78Å; S704-I707 PolarHBondContact O-N 2.77Å; I707-H709 PolarHBondContact O-N 3.41Å; I707-Q710 PolarHBondContact O-N 3.36Å; I707-T711 PolarHBondContact O-N 2.95Å; I707-T711 VanDerWaalsContact O-N 3.13Å
708	I	56.6	Low	62.1	Low	18 Å²	18	60 Å²	60	9%	0.092	29%	0.293	C	S	.	.	H	α-helix	trans	-59.5	-47.9	178.9	-66.2	166.5	0	0	0	110.7	L572 S704 Q710 T711 Q712	L572-I708 HydrophobicContact CD1-CD1 4.4Å; L572-I708 HydrophobicContact CD1-CG1 4.28Å; S704-I708 WeakPolarHBondContact O-CG1 3.2Å; S704-I708 PolarHBondContact O-N 3.16Å; S704-I708 VanDerWaalsContact O-N 3.09Å; I708-Q710 VanDerWaalsContact C-N 3.32Å; I708-Q710 PolarHBondContact O-N 3.23Å; I708-T711 PolarHBondContact O-N 3.13Å; I708-T711 PolarHBondContact O-OG1 2.95Å; I708-T711 VanDerWaalsContact O-OG1 3.14Å; I708-Q712 WeakPolarHBondContact O-CG 3.43Å; I708-Q712 PolarHBondContact O-N 2.92Å; I708-Q712 VanDerWaalsContact O-N 3.12Å
709	H	63.5	Low	63.6	Low	108 Å²	108	54.7 Å²	54.7	50%	0.5	28%	0.278	S	S	.	.	H	α-helix	trans	-61.8	-37.8	179.2	-170	-125.3	0	0	0	112.6	K705 W706 I707 I713	K705-H709 WeakPolarHBondContact O-CB 3.38Å; K705-H709 PolarHBondContact O-N 3.45Å; K705-H709 VanDerWaalsContact O-N 3.13Å; W706-H709 PolarHBondContact O-N 3.35Å; I707-H709 PolarHBondContact O-N 3.41Å; H709-I713 WeakPolarHBondContact O-CG1 3.18Å; H709-I713 PolarHBondContact O-N 3.14Å; H709-I713 VanDerWaalsContact O-N 3.14Å
710	Q	65.6	Low	65.2	Low	41 Å²	41	54.4 Å²	54.4	19%	0.192	28%	0.279	C	S	.	.	H	α-helix	trans	-65.3	-40.4	175.5	-82.5	-70	-34.3	0	0	113.4	W706 I707 I708 K714	W706-Q710 HydrophobicContact CD2-CG 4.07Å; W706-Q710 HydrophobicContact CE3-CG 4.24Å; W706-Q710 HydrophobicContact CH2-CG 3.95Å; W706-Q710 HydrophobicContact CZ2-CG 3.75Å; W706-Q710 HydrophobicContact CZ3-CG 4.19Å; W706-Q710 WeakPolarHBondContact O-CG 3.11Å; W706-Q710 PolarHBondContact O-N 3.23Å; I707-Q710 PolarHBondContact O-N 3.36Å; I708-Q710 VanDerWaalsContact C-N 3.32Å; I708-Q710 PolarHBondContact O-N 3.23Å; Q710-K714 VanDerWaalsContact O-CG 3.3Å; Q710-K714 WeakPolarHBondContact O-CG 3.31Å; Q710-K714 PolarHBondContact O-N 2.97Å
711	T	61.3	Low	66.4	Low	10 Å²	10	51.2 Å²	51.2	6%	0.061	26%	0.259	C	S	.	.	H	α-helix	trans	-72.1	-38	179.5	66.7	0	0	0	0	111.7	N569 I707 I708 K714 H715	N569-T711 WeakPolarHBondContact OD1-CB 3.45Å; N569-T711 WeakPolarHBondContact OD1-CG2 3.4Å; N569-T711 PolarHBondContact OD1-OG1 3.02Å; I707-T711 PolarHBondContact O-N 2.95Å; I707-T711 VanDerWaalsContact O-N 3.13Å; I708-T711 PolarHBondContact O-N 3.13Å; I708-T711 PolarHBondContact O-OG1 2.95Å; I708-T711 VanDerWaalsContact O-OG1 3.14Å; T711-K714 PolarHBondContact O-N 3.31Å; T711-H715 PolarHBondContact O-CD2 2.65Å; T711-H715 PolarHBondContact O-N 3.22Å; T711-H715 VanDerWaalsContact O-N 3.09Å
712	Q	65.8	Low	68.2	Low	86 Å²	86	50.3 Å²	50.3	40%	0.402	25%	0.253	S	S	.	.	H	α-helix	trans	-57.9	-50.7	173.9	-70.6	176.8	-2.1	0	0	111.8	I708 K714 H715 V716	I708-Q712 WeakPolarHBondContact O-CG 3.43Å; I708-Q712 PolarHBondContact O-N 2.92Å; I708-Q712 VanDerWaalsContact O-N 3.12Å; Q712-K714 VanDerWaalsContact C-N 3.35Å; Q712-K714 PolarHBondContact O-N 3.29Å; Q712-H715 PolarHBondContact O-N 3.46Å; Q712-V716 PolarHBondContact O-N 3.07Å
713	I	69.7	Low	69.5	Low	27 Å²	27	56 Å²	56	14%	0.138	26%	0.262	C	S	.	.	H	α-helix	trans	-57.8	-45.4	177.7	-71.6	170.9	0	0	0	111.4	H709 H715 V716 I717 M786	H709-I713 WeakPolarHBondContact O-CG1 3.18Å; H709-I713 PolarHBondContact O-N 3.14Å; H709-I713 VanDerWaalsContact O-N 3.14Å; I713-H715 VanDerWaalsContact C-N 3.35Å; I713-H715 PolarHBondContact O-N 3.08Å; I713-V716 PolarHBondContact O-N 3.17Å; I713-I717 HydrophobicContact CG2-CD1 3.58Å; I713-I717 HydrophobicContact CG2-CG1 4.43Å; I713-I717 WeakPolarHBondContact O-CG1 3.43Å; I713-I717 PolarHBondContact O-N 3.05Å; I713-I717 VanDerWaalsContact O-N 3.16Å; I713-M786 HydrophobicContact CG2-CE 3.8Å
714	K	72.1	Confident	70.8	Confident	18 Å²	18	58.2 Å²	58.2	8%	0.078	27%	0.268	C	S	.	.	H	α-helix	trans	-58	-45.7	178	-72.6	173.1	-171.1	-174.8	0	111.5	Q710 T711 Q712 V716 I717 V718 W779 D783 M786	Q710-K714 VanDerWaalsContact O-CG 3.3Å; Q710-K714 WeakPolarHBondContact O-CG 3.31Å; Q710-K714 PolarHBondContact O-N 2.97Å; T711-K714 PolarHBondContact O-N 3.31Å; Q712-K714 VanDerWaalsContact C-N 3.35Å; Q712-K714 PolarHBondContact O-N 3.29Å; K714-V716 VanDerWaalsContact C-N 3.33Å; K714-V716 PolarHBondContact O-N 3.05Å; K714-I717 PolarHBondContact O-N 3.38Å; K714-V718 WeakPolarHBondContact O-CG2 3.41Å; K714-V718 PolarHBondContact O-N 3.22Å; K714-V718 VanDerWaalsContact O-N 3.09Å; K714-W779 HydrophobicContact CB-CZ3 4.47Å; K714-D783 WeakPolarHBondContact CE-OD1 3.45Å; K714-D783 IonicContact NZ-OD1 3.02Å; K714-D783 PolarHBondContact NZ-OD1 3.3Å; K714-D783 IonicContact NZ-OD2 3.04Å; K714-D783 PolarHBondContact NZ-OD2 3.3Å; K714-M786 HydrophobicContact CG-CE 4.4Å
715	H	69.2	Low	72.4	Confident	89 Å²	89	58.2 Å²	58.2	41%	0.412	27%	0.268	S	S	.	.	H	α-helix	trans	-60	-38.6	179.7	-91.7	-91.5	0	0	0	113.2	N569 T711 Q712 I713	N569-H715 PolarHBondContact ND2-CD2 3.2Å; N569-H715 VanDerWaalsContact ND2-CD2 3.27Å; N569-H715 PolarHBondContact ND2-NE2 2.8Å; N569-H715 VanDerWaalsContact ND2-NE2 3.13Å; T711-H715 PolarHBondContact O-CD2 2.65Å; T711-H715 PolarHBondContact O-N 3.22Å; T711-H715 VanDerWaalsContact O-N 3.09Å; Q712-H715 PolarHBondContact O-N 3.46Å; I713-H715 VanDerWaalsContact C-N 3.35Å; I713-H715 PolarHBondContact O-N 3.08Å
716	V	73.8	Confident	73.5	Confident	59 Å²	59	56.4 Å²	56.4	36%	0.358	27%	0.265	S	S	.	.	H	α-helix	trans	-68.2	-38.5	177	178.1	0	0	0	0	112.1	Q712 I713 K714 P720 I801 L804	Q712-V716 PolarHBondContact O-N 3.07Å; I713-V716 PolarHBondContact O-N 3.17Å; K714-V716 VanDerWaalsContact C-N 3.33Å; K714-V716 PolarHBondContact O-N 3.05Å; V716-P720 VanDerWaalsContact O-CD 3.32Å; V716-P720 WeakPolarHBondContact O-CD 3.35Å; V716-I801 HydrophobicContact CG1-CG2 4.32Å; V716-L804 HydrophobicContact CB-CD1 4.37Å; V716-L804 HydrophobicContact CG1-CB 4.27Å; V716-L804 HydrophobicContact CG1-CD1 4.01Å
717	I	79.4	Confident	74.4	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-79.4	-30.7	-173.3	-70.9	177.3	0	0	0	113.2	I713 K714 G719 P720 V721 L795 L804 I811	I713-I717 HydrophobicContact CG2-CD1 3.58Å; I713-I717 HydrophobicContact CG2-CG1 4.43Å; I713-I717 WeakPolarHBondContact O-CG1 3.43Å; I713-I717 PolarHBondContact O-N 3.05Å; I713-I717 VanDerWaalsContact O-N 3.16Å; K714-I717 PolarHBondContact O-N 3.38Å; I717-G719 PolarHBondContact O-N 3.1Å; I717-P720 WeakPolarHBondContact O-CD 3.23Å; I717-V721 HydrophobicContact CG2-CB 4.46Å; I717-V721 HydrophobicContact CG2-CG2 3.45Å; I717-V721 VanDerWaalsContact CG2-CG2 3.45Å; I717-V721 WeakPolarHBondContact O-CB 3.46Å; I717-V721 WeakPolarHBondContact O-CG2 3.46Å; I717-V721 PolarHBondContact O-N 2.9Å; I717-L795 HydrophobicContact CD1-CD1 4.49Å; I717-L795 HydrophobicContact CD1-CD2 3.72Å; I717-L804 HydrophobicContact CD1-CD2 4.47Å; I717-L804 HydrophobicContact CG1-CB 4.4Å; I717-I811 HydrophobicContact CD1-CD1 4Å; I717-I811 HydrophobicContact CG2-CD1 3.8Å
718	V	82.4	Confident	75.5	Confident	20 Å²	20	53.7 Å²	53.7	12%	0.121	27%	0.266	C	S	.	.	H	α-helix	trans	-58.3	-42.7	-171.7	161.3	0	0	0	0	114.1	K714 R722 F778 W779 L782	K714-V718 WeakPolarHBondContact O-CG2 3.41Å; K714-V718 PolarHBondContact O-N 3.22Å; K714-V718 VanDerWaalsContact O-N 3.09Å; V718-R722 WeakPolarHBondContact O-CB 3.34Å; V718-R722 WeakPolarHBondContact O-CG 3.09Å; V718-R722 PolarHBondContact O-N 2.78Å; V718-F778 HydrophobicContact CB-CZ 4.35Å; V718-F778 HydrophobicContact CG1-CE1 3.94Å; V718-F778 HydrophobicContact CG1-CZ 3.9Å; V718-F778 HydrophobicContact CG2-CE1 3.96Å; V718-F778 HydrophobicContact CG2-CZ 4.08Å; V718-W779 HydrophobicContact CG2-CH2 3.58Å; V718-W779 HydrophobicContact CG2-CZ2 4.34Å; V718-W779 HydrophobicContact CG2-CZ3 3.69Å; V718-L782 HydrophobicContact CG2-CD2 3.62Å
719	G	80.8	Confident	76.2	Confident	38 Å²	38	54.5 Å²	54.5	39%	0.392	28%	0.275	S	S	.	.	H	α-helix	trans	-62.7	-56.3	178.3	0	0	0	0	0	112.9	I717 V721 R722 R723	I717-G719 PolarHBondContact O-N 3.1Å; G719-V721 PolarHBondContact O-N 3.3Å; G719-R722 PolarHBondContact O-N 2.85Å; G719-R723 PolarHBondContact O-N 3.18Å; G719-R723 VanDerWaalsContact O-N 3.08Å
720	P	84.9	Confident	75.9	Confident	28 Å²	28	52.1 Å²	52.1	18%	0.182	28%	0.279	C	S	.	.	H	α-helix	trans	-52.1	-44.9	171.5	-30.9	36.9	0	0	0	114.4	V716 I717 R723 Y724 R805 A808	V716-P720 VanDerWaalsContact O-CD 3.32Å; V716-P720 WeakPolarHBondContact O-CD 3.35Å; I717-P720 WeakPolarHBondContact O-CD 3.23Å; P720-R723 PolarHBondContact O-N 2.8Å; P720-Y724 PolarHBondContact O-N 3.34Å; P720-Y724 VanDerWaalsContact O-N 3.14Å; P720-R805 HydrophobicContact CG-CG 3.98Å; P720-A808 HydrophobicContact CB-CB 3.4Å; P720-A808 VanDerWaalsContact CB-CB 3.4Å
721	V	86.1	Confident	74.9	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-66	-41.6	179	167.8	0	0	0	0	111.5	I717 G719 R723 Y724 L725 F778 A808 I811 A812 M815	I717-V721 HydrophobicContact CG2-CB 4.46Å; I717-V721 HydrophobicContact CG2-CG2 3.45Å; I717-V721 VanDerWaalsContact CG2-CG2 3.45Å; I717-V721 WeakPolarHBondContact O-CB 3.46Å; I717-V721 WeakPolarHBondContact O-CG2 3.46Å; I717-V721 PolarHBondContact O-N 2.9Å; G719-V721 PolarHBondContact O-N 3.3Å; V721-R723 PolarHBondContact O-N 3.19Å; V721-Y724 PolarHBondContact O-N 3.27Å; V721-L725 HydrophobicContact CG1-CD1 4.18Å; V721-L725 HydrophobicContact CG1-CG 4.42Å; V721-L725 WeakPolarHBondContact O-CG 3.24Å; V721-L725 PolarHBondContact O-N 2.86Å; V721-F778 HydrophobicContact CG1-CE2 4.14Å; V721-A808 HydrophobicContact CG2-CB 3.89Å; V721-I811 HydrophobicContact CG1-CG2 4.45Å; V721-I811 HydrophobicContact CG2-CB 3.98Å; V721-I811 HydrophobicContact CG2-CG2 3.78Å; V721-A812 HydrophobicContact CG1-CB 4.19Å; V721-M815 HydrophobicContact CG1-SD 3.61Å
722	R	87.1	Confident	73.6	Confident	71 Å²	71	63.1 Å²	63.1	27%	0.268	33%	0.331	S	S	.	.	H	α-helix	trans	-60.9	-41.6	174.3	-76.2	-174.9	-177	-138.7	-4.7	112	V718 G719 Y724 L725 T726 L772 D775 F778	V718-R722 WeakPolarHBondContact O-CB 3.34Å; V718-R722 WeakPolarHBondContact O-CG 3.09Å; V718-R722 PolarHBondContact O-N 2.78Å; G719-R722 PolarHBondContact O-N 2.85Å; R722-Y724 VanDerWaalsContact C-N 3.34Å; R722-Y724 PolarHBondContact O-N 2.84Å; R722-L725 PolarHBondContact O-N 3.09Å; R722-T726 PolarHBondContact O-N 3.31Å; R722-T726 PolarHBondContact O-OG1 3.01Å; R722-T726 VanDerWaalsContact O-OG1 3.05Å; R722-L772 HydrophobicContact CB-CD2 4.34Å; R722-L772 HydrophobicContact CG-CD2 4.29Å; R722-D775 IonicContact CZ-OD1 3.35Å; R722-D775 VanDerWaalsContact CZ-OD1 3.27Å; R722-D775 IonicContact NH1-OD1 3.08Å; R722-D775 PolarHBondContact NH1-OD1 3.37Å; R722-D775 IonicContact NH2-OD1 3.67Å; R722-D775 PolarHBondContact NH2-OD1 2.91Å; R722-F778 HydrophobicContact CG-CD2 4.34Å; R722-F778 HydrophobicContact CG-CE2 3.55Å; R722-F778 HydrophobicContact CG-CZ 3.75Å
723	R	81.9	Confident	71.9	Confident	202 Å²	202	64.7 Å²	64.7	76%	0.762	35%	0.346	S	S	*	.	H	α-helix	trans	-57.7	-44.3	173.9	-71.9	-175.8	178.8	-174.9	-0.6	112.1	G719 P720 V721 T726 T727	G719-R723 PolarHBondContact O-N 3.18Å; G719-R723 VanDerWaalsContact O-N 3.08Å; P720-R723 PolarHBondContact O-N 2.8Å; V721-R723 PolarHBondContact O-N 3.19Å; R723-T726 PolarHBondContact O-N 2.79Å; R723-T727 PolarHBondContact O-N 3.27Å; R723-T727 VanDerWaalsContact O-N 3.08Å
724	Y	84.4	Confident	69.9	Low	106 Å²	106	70.1 Å²	70.1	42%	0.416	37%	0.373	S	S	.	.	H	α-helix	trans	-71.8	-29.3	177.8	-96.4	-73.1	0	0	0	114.4	P720 V721 R722 T727 M728 A808 P809	P720-Y724 PolarHBondContact O-N 3.34Å; P720-Y724 VanDerWaalsContact O-N 3.14Å; V721-Y724 PolarHBondContact O-N 3.27Å; R722-Y724 VanDerWaalsContact C-N 3.34Å; R722-Y724 PolarHBondContact O-N 2.84Å; Y724-T727 PolarHBondContact O-OG1 2.87Å; Y724-T727 VanDerWaalsContact O-OG1 3.12Å; Y724-M728 WeakPolarHBondContact O-CB 3.23Å; Y724-M728 WeakPolarHBondContact O-CG 3.5Å; Y724-M728 PolarHBondContact O-N 3.29Å; Y724-M728 VanDerWaalsContact O-N 3.12Å; Y724-A808 HydrophobicContact CD2-CB 4.47Å; Y724-P809 HydrophobicContact CD1-CB 3.93Å; Y724-P809 HydrophobicContact CD2-CB 4.06Å; Y724-P809 HydrophobicContact CD2-CG 4.37Å; Y724-P809 HydrophobicContact CE1-CB 3.74Å; Y724-P809 HydrophobicContact CE2-CB 3.87Å; Y724-P809 HydrophobicContact CE2-CG 3.91Å; Y724-P809 HydrophobicContact CG-CB 4.07Å
725	L	84.4	Confident	67.5	Low	0 Å²	0	75.3 Å²	75.3	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-66.7	-38.5	167.6	-69.4	173.1	0	0	0	110.9	V721 R722 M728 A729 A768 L771 L772 F778 A812 M815 V816	V721-L725 HydrophobicContact CG1-CD1 4.18Å; V721-L725 HydrophobicContact CG1-CG 4.42Å; V721-L725 WeakPolarHBondContact O-CG 3.24Å; V721-L725 PolarHBondContact O-N 2.86Å; R722-L725 PolarHBondContact O-N 3.09Å; L725-M728 HydrophobicContact CD2-CE 3.89Å; L725-M728 PolarHBondContact O-N 3.22Å; L725-A729 VanDerWaalsContact O-CB 3.32Å; L725-A729 WeakPolarHBondContact O-CB 3.46Å; L725-A729 PolarHBondContact O-N 3.39Å; L725-A768 HydrophobicContact CD2-CB 4.3Å; L725-A768 WeakPolarHBondContact O-CB 3.49Å; L725-L771 HydrophobicContact CD1-CB 4.09Å; L725-L771 HydrophobicContact CD1-CD1 4.18Å; L725-L771 HydrophobicContact CD2-CD1 3.71Å; L725-L772 HydrophobicContact CB-CD1 4.16Å; L725-L772 HydrophobicContact CB-CD2 4Å; L725-L772 HydrophobicContact CB-CG 4.02Å; L725-F778 HydrophobicContact CD1-CD2 3.84Å; L725-F778 HydrophobicContact CD1-CE2 3.81Å; L725-A812 HydrophobicContact CD2-CB 4.2Å; L725-A812 HydrophobicContact CG-CB 4.25Å; L725-M815 HydrophobicContact CD1-CE 4.37Å; L725-V816 HydrophobicContact CD2-CG2 3.79Å
726	T	79.8	Confident	65.6	Low	61 Å²	61	75.8 Å²	75.8	37%	0.374	42%	0.415	S	S	.	.	H	α-helix	trans	-65.9	-40.9	178.1	-56	0	0	0	0	112.3	R722 R723 A729 A731	R722-T726 PolarHBondContact O-N 3.31Å; R722-T726 PolarHBondContact O-OG1 3.01Å; R722-T726 VanDerWaalsContact O-OG1 3.05Å; R723-T726 PolarHBondContact O-N 2.79Å; T726-A729 PolarHBondContact O-N 3.4Å; T726-A731 HydrophobicContact CG2-CB 4.2Å
727	T	78.8	Confident	63.5	Low	91 Å²	91	79.7 Å²	79.7	56%	0.558	44%	0.439	S	S	*	.	H	α-helix	trans	-67.5	-40.3	174.7	55	0	0	0	0	111.9	R723 Y724 A729 G730	R723-T727 PolarHBondContact O-N 3.27Å; R723-T727 VanDerWaalsContact O-N 3.08Å; Y724-T727 PolarHBondContact O-OG1 2.87Å; Y724-T727 VanDerWaalsContact O-OG1 3.12Å; T727-A729 VanDerWaalsContact C-N 3.26Å; T727-A729 PolarHBondContact O-N 2.91Å; T727-G730 PolarHBondContact O-N 3.29Å
728	M	77.7	Confident	61.1	Low	55 Å²	55	88.9 Å²	88.9	27%	0.271	48%	0.481	S	S	.	.	H	α-helix	trans	-66.7	-23.6	172.4	-72.9	-161.8	-59.2	0	0	114	Y724 L725 G730 G765 A768 A812 R813 V816	Y724-M728 WeakPolarHBondContact O-CB 3.23Å; Y724-M728 WeakPolarHBondContact O-CG 3.5Å; Y724-M728 PolarHBondContact O-N 3.29Å; Y724-M728 VanDerWaalsContact O-N 3.12Å; L725-M728 HydrophobicContact CD2-CE 3.89Å; L725-M728 PolarHBondContact O-N 3.22Å; M728-G730 PolarHBondContact O-N 2.67Å; M728-G765 WeakPolarHBondContact O-CA 3.41Å; M728-A768 HydrophobicContact CB-CB 4.09Å; M728-A812 HydrophobicContact CE-CB 3.96Å; M728-A812 WeakPolarHBondContact CE-O 3.28Å; M728-R813 HydrophobicContact SD-CG 4.08Å; M728-V816 HydrophobicContact CE-CB 4.29Å; M728-V816 HydrophobicContact CE-CG2 3.67Å
729	A	72.4	Confident	58.6	Low	35 Å²	35	97.1 Å²	97.1	29%	0.289	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-4.8	175.4	0	0	0	0	0	113.8	L725 T726 T727 A768 L772	L725-A729 VanDerWaalsContact O-CB 3.32Å; L725-A729 WeakPolarHBondContact O-CB 3.46Å; L725-A729 PolarHBondContact O-N 3.39Å; T726-A729 PolarHBondContact O-N 3.4Å; T727-A729 VanDerWaalsContact C-N 3.26Å; T727-A729 PolarHBondContact O-N 2.91Å; A729-A768 HydrophobicContact CB-CB 4.05Å; A729-L772 HydrophobicContact CB-CD1 4.29Å
730	G	57.3	Low	55.9	Low	57 Å²	57	100.5 Å²	100.5	59%	0.588	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.6	9.3	171.2	0	0	0	0	0	116	T727 M728 R732	T727-G730 PolarHBondContact O-N 3.29Å; M728-G730 PolarHBondContact O-N 2.67Å; G730-R732 PolarHBondContact O-N 2.94Å
731	A	43.7	Very low	53.2	Low	61 Å²	61	104.1 Å²	104.1	50%	0.504	56%	0.562	S	S	.	*			trans	-71.9	96.1	174.5	0	0	0	0	0	110.8	T726 V733	T726-A731 HydrophobicContact CG2-CB 4.2Å; A731-V733 PolarHBondContact O-N 3.21Å
732	R	34	Very low	50.3	Low	222 Å²	222	109.2 Å²	109.2	84%	0.838	60%	0.598	S	S	*	*			trans	-64.2	113.6	173.2	-76.7	-173.8	179.3	174.6	0.1	110.3	G730 M734	G730-R732 PolarHBondContact O-N 2.94Å; R732-M734 HydrophobicContact CB-CG 4.32Å
733	V	28.9	Very low	47.5	Very low	118 Å²	118	111.6 Å²	111.6	72%	0.715	62%	0.62	S	S	*	*			trans	-92.2	109	157	178.3	0	0	0	0	106.3	A731	A731-V733 PolarHBondContact O-N 3.21Å
734	M	28	Very low	44.9	Very low	142 Å²	142	109.1 Å²	109.1	70%	0.7	62%	0.621	S	S	*	*			trans	-117.3	100.7	173.2	-65.9	-167.2	90.8	0	0	109.6	R732	R732-M734 HydrophobicContact CB-CG 4.32Å
735	N	23.2	Very low	42.1	Very low	126 Å²	126	111.7 Å²	111.7	67%	0.674	64%	0.639	S	S	*	*			trans	-95.3	115	159.2	-70.6	0.6	0	0	0	107.2
736	S	28.3	Very low	39.4	Very low	100 Å²	100	119.4 Å²	119.4	70%	0.699	67%	0.674	S	S	*	*			trans	-157.1	88.7	164.7	55.8	0	0	0	0	108.5
737	T	29.4	Very low	37.1	Very low	141 Å²	141	124.8 Å²	124.8	87%	0.865	70%	0.695	S	S	*	*			trans	-63.6	148.5	166.5	39	0	0	0	0	110	Q739	T737-Q739 PolarHBondContact O-N 3.07Å
738	H	29	Very low	34.7	Very low	193 Å²	193	131.4 Å²	131.4	89%	0.894	71%	0.71	S	S	*	*			trans	-59.4	123.7	177.6	-69.5	-102.3	0	0	0	111.4
739	Q	30.5	Very low	32.2	Very low	192 Å²	192	136 Å²	136	90%	0.897	74%	0.735	S	S	*	*			trans	-150.6	137.6	147.1	-115.5	166.1	0.3	0	0	110.5	T737	T737-Q739 PolarHBondContact O-N 3.07Å
740	S	24.9	Very low	30.2	Very low	109 Å²	109	141.6 Å²	141.6	76%	0.762	76%	0.76	S	S	*	*			trans	-63.3	176.2	-161.9	-44.8	0	0	0	0	117.1
741	S	27.4	Very low	29	Very low	104 Å²	104	145 Å²	145	73%	0.727	77%	0.769	S	S	*	*			trans	61.3	105.9	171.9	41.2	0	0	0	0	115.5
742	S	25.3	Very low	28.1	Very low	107 Å²	107	146.8 Å²	146.8	75%	0.748	78%	0.784	S	S	*	*				84.8	163.1	67.1	70.8	0	0	0	0	113.8
743	V	28.7	Very low	27.8	Very low	122 Å²	122	139.4 Å²	139.4	74%	0.739	78%	0.777	S	S	*	*			trans	85.5	109.4	179.7	-171.8	0	0	0	0	115.9
744	L	27	Very low	27.8	Very low	150 Å²	150	142.2 Å²	142.2	79%	0.785	78%	0.782	S	S	*	*			trans	56	128.4	154.6	-57.7	171	0	0	0	118.9
745	M	24.6	Very low	27.7	Very low	160 Å²	160	142.6 Å²	142.6	79%	0.788	79%	0.787	S	S	*	*			cis	71.6	133.3	25.9	-71.5	-69.4	-172.3	0	0	117.7
746	H	27.9	Very low	27.9	Very low	161 Å²	161	142 Å²	142	75%	0.745	79%	0.793	S	S	*	*			trans	73.5	143.5	-178.8	-45.3	-13.5	0	0	0	114.4
747	H	32.6	Very low	28.1	Very low	174 Å²	174	143.2 Å²	143.2	81%	0.806	80%	0.795	S	S	*	*			cis	-115.7	145.5	-5.9	-66.4	-115.6	0	0	0	108.8
748	R	27	Very low	28	Very low	231 Å²	231	145.6 Å²	145.6	87%	0.872	80%	0.796	S	S	*	*				68.5	104.1	50.3	-117.8	-176.7	-170.4	-179	2.9	115.2
749	N	25.5	Very low	28.4	Very low	150 Å²	150	138.5 Å²	138.5	80%	0.802	77%	0.766	S	S	*	*			trans	5.8	149.6	152	-49.6	-10.4	0	0	0	120.5
750	L	30.1	Very low	28.9	Very low	154 Å²	154	133.1 Å²	133.1	81%	0.806	75%	0.747	S	S	*	*				-165.9	137.4	119.9	-101.3	162.3	0	0	0	111.7
751	T	32.1	Very low	30.3	Very low	127 Å²	127	135.8 Å²	135.8	78%	0.779	75%	0.747	S	S	*	*			trans	37.7	155.3	149.4	51	0	0	0	0	123.3
752	A	26.7	Very low	31.3	Very low	99 Å²	99	134.6 Å²	134.6	82%	0.818	74%	0.738	S	S	*	*			cis	-174.2	163.4	-23.8	0	0	0	0	0	108.7
753	G	26.2	Very low	32.9	Very low	67 Å²	67	137.7 Å²	137.7	69%	0.691	73%	0.734	S	S	*	*			trans	120.9	141.5	160.1	0	0	0	0	0	118
754	H	30	Very low	34.5	Very low	178 Å²	178	136 Å²	136	82%	0.824	72%	0.716	S	S	*	*			trans	58.1	84.1	161.4	-56.9	-71.8	0	0	0	120.4
755	N	24.9	Very low	36.6	Very low	150 Å²	150	129.4 Å²	129.4	80%	0.802	69%	0.685	S	S	*	*				40.3	102	118.7	-57.5	-5.2	0	0	0	119
756	S	27.5	Very low	39	Very low	114 Å²	114	126.8 Å²	126.8	80%	0.797	67%	0.674	S	S	*	*				176.1	145.9	108.6	50	0	0	0	0	114.1
757	V	32.2	Very low	41.4	Very low	124 Å²	124	121.9 Å²	121.9	75%	0.752	65%	0.649	S	S	*	*			trans	44	86.5	166.8	-166.4	0	0	0	0	116.4	V759	V757-V759 HydrophobicContact CG1-CG2 4.09Å; V757-V759 PolarHBondContact O-N 3.36Å
758	H	27.7	Very low	43.7	Very low	191 Å²	191	113.6 Å²	113.6	88%	0.884	61%	0.611	S	S	*	*			trans	-62.8	87.7	166.2	-87.1	-86.3	0	0	0	112.5	T760	H758-T760 PolarHBondContact O-N 3.05Å; H758-T760 VanDerWaalsContact O-N 3.1Å
759	V	37.5	Very low	46.1	Very low	44 Å²	44	104.2 Å²	104.2	27%	0.267	58%	0.581	S	S	.	*			trans	-73.2	99.7	164.1	-175.7	0	0	0	0	108.4	V757 R763 K764	V757-V759 HydrophobicContact CG1-CG2 4.09Å; V757-V759 PolarHBondContact O-N 3.36Å; V759-R763 HydrophobicContact CG1-CB 3.85Å; V759-K764 HydrophobicContact CG1-CG 3.93Å; V759-K764 WeakPolarHBondContact O-CE 3.23Å
760	T	41.8	Very low	48.7	Very low	79 Å²	79	99.7 Å²	99.7	49%	0.485	56%	0.556	S	S	.	*			trans	-50	145.2	179.5	59.5	0	0	0	0	112.4	H758 S762 R763 K764	H758-T760 PolarHBondContact O-N 3.05Å; H758-T760 VanDerWaalsContact O-N 3.1Å; T760-S762 PolarHBondContact O-N 3.43Å; T760-S762 VanDerWaalsContact O-N 3.16Å; T760-R763 PolarHBondContact O-N 3.04Å; T760-K764 PolarHBondContact O-N 2.89Å
761	H	52.8	Low	51.2	Low	165 Å²	165	92.3 Å²	92.3	76%	0.764	52%	0.518	S	S	*	.	H	α-helix	trans	-55.1	-38	-175.9	-85.1	-110.1	0	0	0	112.7	R763 K764 G765	H761-R763 VanDerWaalsContact C-N 3.35Å; H761-R763 PolarHBondContact O-N 3.06Å; H761-K764 PolarHBondContact O-N 3.26Å; H761-K764 VanDerWaalsContact O-N 3.13Å; H761-G765 PolarHBondContact O-N 2.7Å
762	S	49.1	Very low	53.6	Low	79 Å²	79	88.8 Å²	88.8	55%	0.552	49%	0.493	S	S	*	.	H	α-helix	trans	-49.9	-48.1	170.6	165.6	0	0	0	0	113.1	T760 K764 G765 N766	T760-S762 PolarHBondContact O-N 3.43Å; T760-S762 VanDerWaalsContact O-N 3.16Å; S762-K764 PolarHBondContact O-N 3.25Å; S762-G765 PolarHBondContact O-N 2.92Å; S762-N766 WeakPolarHBondContact O-CB 3.32Å; S762-N766 PolarHBondContact O-N 3.19Å; S762-N766 PolarHBondContact O-ND2 2.74Å
763	R	59.5	Low	56.1	Low	173 Å²	173	92.9 Å²	92.9	65%	0.653	49%	0.488	S	S	*	.	H	α-helix	trans	-66.7	-33.7	179.5	-73.4	-178.9	173.4	-177.2	-0.6	112.7	V759 T760 H761 R767	V759-R763 HydrophobicContact CG1-CB 3.85Å; T760-R763 PolarHBondContact O-N 3.04Å; H761-R763 VanDerWaalsContact C-N 3.35Å; H761-R763 PolarHBondContact O-N 3.06Å; R763-R767 WeakPolarHBondContact O-CG 3.33Å; R763-R767 PolarHBondContact O-N 3.27Å
764	K	63	Low	58.6	Low	85 Å²	85	92.9 Å²	92.9	37%	0.37	47%	0.469	S	S	.	.	H	α-helix	trans	-68.8	-46.8	174.9	-65.2	179.3	-177	170.3	0	111.2	V759 T760 H761 S762 N766 R767 A768 V816	V759-K764 HydrophobicContact CG1-CG 3.93Å; V759-K764 WeakPolarHBondContact O-CE 3.23Å; T760-K764 PolarHBondContact O-N 2.89Å; H761-K764 PolarHBondContact O-N 3.26Å; H761-K764 VanDerWaalsContact O-N 3.13Å; S762-K764 PolarHBondContact O-N 3.25Å; K764-N766 PolarHBondContact O-N 3.32Å; K764-R767 PolarHBondContact O-N 2.87Å; K764-A768 PolarHBondContact O-N 2.84Å; K764-V816 HydrophobicContact CB-CG1 4.33Å
765	G	70.7	Confident	60.7	Low	12 Å²	12	88.7 Å²	88.7	12%	0.124	45%	0.452	C	S	.	.	H	α-helix	trans	-61.5	-43.4	176.9	0	0	0	0	0	113.2	M728 H761 S762 R767 A768 S769	M728-G765 WeakPolarHBondContact O-CA 3.41Å; H761-G765 PolarHBondContact O-N 2.7Å; S762-G765 PolarHBondContact O-N 2.92Å; G765-R767 PolarHBondContact O-N 2.91Å; G765-A768 PolarHBondContact O-N 3.4Å; G765-S769 WeakPolarHBondContact O-CB 3.49Å; G765-S769 PolarHBondContact O-N 3Å
766	N	73.4	Confident	63.1	Low	105 Å²	105	87.2 Å²	87.2	56%	0.561	44%	0.44	S	S	*	.	H	α-helix	trans	-61.9	-38.5	176.6	-76.8	-27.6	0	0	0	113	S762 K764 L770	S762-N766 WeakPolarHBondContact O-CB 3.32Å; S762-N766 PolarHBondContact O-N 3.19Å; S762-N766 PolarHBondContact O-ND2 2.74Å; K764-N766 PolarHBondContact O-N 3.32Å; N766-L770 WeakPolarHBondContact O-CB 3.49Å; N766-L770 PolarHBondContact O-N 3.04Å
767	R	80.4	Confident	65.4	Low	58 Å²	58	83.1 Å²	83.1	22%	0.219	41%	0.409	C	S	.	.	H	α-helix	trans	-67.6	-42.2	174.1	-73.6	179.9	-176.4	-167.7	0.5	112.4	R763 K764 G765 L770 L771 V816 L817 L819	R763-R767 WeakPolarHBondContact O-CG 3.33Å; R763-R767 PolarHBondContact O-N 3.27Å; K764-R767 PolarHBondContact O-N 2.87Å; G765-R767 PolarHBondContact O-N 2.91Å; R767-L770 PolarHBondContact O-N 3.12Å; R767-L771 WeakPolarHBondContact O-CG 3.07Å; R767-L771 PolarHBondContact O-N 3.22Å; R767-V816 HydrophobicContact CB-CG1 4.04Å; R767-V816 WeakPolarHBondContact CD-O 3.37Å; R767-V816 PolarHBondContact NH1-O 2.93Å; R767-L817 PolarHBondContact NH1-O 3.35Å; R767-L819 HydrophobicContact CB-CD1 4.48Å; R767-L819 PolarHBondContact NE-O 2.98Å; R767-L819 PolarHBondContact NH1-O 3.32Å; R767-L819 PolarHBondContact NH2-O 2.82Å
768	A	80.8	Confident	67.9	Low	0 Å²	0	77.2 Å²	77.2	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-63.6	-42.8	176.3	0	0	0	0	0	111.9	L725 M728 A729 K764 G765 L770 L771 L772 V816	L725-A768 HydrophobicContact CD2-CB 4.3Å; L725-A768 WeakPolarHBondContact O-CB 3.49Å; M728-A768 HydrophobicContact CB-CB 4.09Å; A729-A768 HydrophobicContact CB-CB 4.05Å; K764-A768 PolarHBondContact O-N 2.84Å; G765-A768 PolarHBondContact O-N 3.4Å; A768-L770 PolarHBondContact O-N 2.82Å; A768-L771 PolarHBondContact O-N 2.93Å; A768-L772 WeakPolarHBondContact O-CG 3.37Å; A768-L772 PolarHBondContact O-N 3.32Å; A768-L772 VanDerWaalsContact O-N 3.08Å; A768-V816 HydrophobicContact CB-CG2 4.03Å
769	S	77.4	Confident	70.5	Confident	35 Å²	35	70.6 Å²	70.6	25%	0.245	34%	0.341	C	S	.	.	H	α-helix	trans	-60.7	-41.5	172.6	-176.3	0	0	0	0	112.4	G765 L771 L772 R773	G765-S769 WeakPolarHBondContact O-CB 3.49Å; G765-S769 PolarHBondContact O-N 3Å; S769-L771 PolarHBondContact O-N 3.44Å; S769-L772 PolarHBondContact O-N 3.02Å; S769-R773 WeakPolarHBondContact O-CB 3.25Å; S769-R773 VanDerWaalsContact O-CG 3.3Å; S769-R773 WeakPolarHBondContact O-CG 3.38Å; S769-R773 PolarHBondContact O-N 3.13Å
770	L	79.5	Confident	72.3	Confident	54 Å²	54	74.3 Å²	74.3	28%	0.283	36%	0.357	S	S	.	.	H	α-helix	trans	-63.3	-39.5	176.1	-178.3	63.3	0	0	0	112.8	N766 R767 A768 R773 K774 L819	N766-L770 WeakPolarHBondContact O-CB 3.49Å; N766-L770 PolarHBondContact O-N 3.04Å; R767-L770 PolarHBondContact O-N 3.12Å; A768-L770 PolarHBondContact O-N 2.82Å; L770-R773 PolarHBondContact O-N 3.39Å; L770-K774 HydrophobicContact CD1-CD 3.97Å; L770-K774 PolarHBondContact O-N 3.13Å; L770-L819 HydrophobicContact CD2-CD2 4.36Å
771	L	82.6	Confident	74.2	Confident	0 Å²	0	71 Å²	71	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-62.4	-48.8	174.3	-72.8	167.7	0	0	0	111.2	L725 R767 A768 S769 R773 K774 L777 T781 M815 V816 L819	L725-L771 HydrophobicContact CD1-CB 4.09Å; L725-L771 HydrophobicContact CD1-CD1 4.18Å; L725-L771 HydrophobicContact CD2-CD1 3.71Å; R767-L771 WeakPolarHBondContact O-CG 3.07Å; R767-L771 PolarHBondContact O-N 3.22Å; A768-L771 PolarHBondContact O-N 2.93Å; S769-L771 PolarHBondContact O-N 3.44Å; L771-R773 VanDerWaalsContact C-N 3.28Å; L771-R773 PolarHBondContact O-N 3.47Å; L771-K774 PolarHBondContact O-N 3.45Å; L771-L777 HydrophobicContact CD2-CD2 3.82Å; L771-T781 HydrophobicContact CD2-CG2 4.15Å; L771-T781 WeakPolarHBondContact CD2-OG1 3.4Å; L771-M815 HydrophobicContact CD1-CB 3.93Å; L771-M815 HydrophobicContact CD2-CE 4.27Å; L771-V816 HydrophobicContact CD1-CG2 4.03Å; L771-L819 HydrophobicContact CD1-CD1 4.04Å; L771-L819 HydrophobicContact CD2-CD1 3.67Å; L771-L819 HydrophobicContact CG-CD1 3.61Å
772	L	82.7	Confident	75.6	Confident	52 Å²	52	63.1 Å²	63.1	27%	0.272	30%	0.3	S	S	.	.	H	α-helix	trans	-64.8	-29.6	179	-68	170.1	0	0	0	113.2	R722 L725 A729 A768 S769	R722-L772 HydrophobicContact CB-CD2 4.34Å; R722-L772 HydrophobicContact CG-CD2 4.29Å; L725-L772 HydrophobicContact CB-CD1 4.16Å; L725-L772 HydrophobicContact CB-CD2 4Å; L725-L772 HydrophobicContact CB-CG 4.02Å; A729-L772 HydrophobicContact CB-CD1 4.29Å; A768-L772 WeakPolarHBondContact O-CG 3.37Å; A768-L772 PolarHBondContact O-N 3.32Å; A768-L772 VanDerWaalsContact O-N 3.08Å; S769-L772 PolarHBondContact O-N 3.02Å
773	R	78.7	Confident	77	Confident	185 Å²	185	61.3 Å²	61.3	70%	0.698	28%	0.284	S	S	*	.	H	α-helix	trans	-79.9	-12.6	177.4	-75.4	178	176.8	-163.9	-0.8	114.7	S769 L770 L771	S769-R773 WeakPolarHBondContact O-CB 3.25Å; S769-R773 VanDerWaalsContact O-CG 3.3Å; S769-R773 WeakPolarHBondContact O-CG 3.38Å; S769-R773 PolarHBondContact O-N 3.13Å; L770-R773 PolarHBondContact O-N 3.39Å; L771-R773 VanDerWaalsContact C-N 3.28Å; L771-R773 PolarHBondContact O-N 3.47Å
774	K	78.2	Confident	77.9	Confident	67 Å²	67	58.2 Å²	58.2	29%	0.291	28%	0.277	S	S	.	.			trans	-138	90.5	-173.5	-71.5	-175.2	176.8	-178	0	111.8	L770 L771 H776 L777 F778	L770-K774 HydrophobicContact CD1-CD 3.97Å; L770-K774 PolarHBondContact O-N 3.13Å; L771-K774 PolarHBondContact O-N 3.45Å; K774-H776 VanDerWaalsContact C-N 3.3Å; K774-H776 PolarHBondContact O-N 3.41Å; K774-L777 HydrophobicContact CB-CB 3.77Å; K774-L777 HydrophobicContact CD-CD1 3.99Å; K774-L777 WeakPolarHBondContact O-CA 3.29Å; K774-L777 WeakPolarHBondContact O-CB 3.2Å; K774-L777 PolarHBondContact O-N 3.23Å; K774-F778 PolarHBondContact O-N 2.99Å
775	D	75.2	Confident	78.9	Confident	90 Å²	90	54.2 Å²	54.2	48%	0.481	26%	0.26	S	S	.	.	H	α-helix	trans	-50.4	-43.7	-179.5	-77.1	-45.7	0	0	0	113.9	R722 L777 F778 W779	R722-D775 IonicContact CZ-OD1 3.35Å; R722-D775 VanDerWaalsContact CZ-OD1 3.27Å; R722-D775 IonicContact NH1-OD1 3.08Å; R722-D775 PolarHBondContact NH1-OD1 3.37Å; R722-D775 IonicContact NH2-OD1 3.67Å; R722-D775 PolarHBondContact NH2-OD1 2.91Å; D775-L777 VanDerWaalsContact C-N 3.26Å; D775-L777 PolarHBondContact O-N 2.86Å; D775-F778 WeakPolarHBondContact O-CB 3.43Å; D775-F778 PolarHBondContact O-N 3.04Å; D775-W779 PolarHBondContact O-N 2.97Å
776	H	74	Confident	79.2	Confident	119 Å²	119	54.3 Å²	54.3	55%	0.551	26%	0.257	S	S	*	.	H	α-helix	trans	-59.9	-36.5	177	61.7	-93.1	0	0	0	112.7	K774 M780	K774-H776 VanDerWaalsContact C-N 3.3Å; K774-H776 PolarHBondContact O-N 3.41Å; H776-M780 WeakPolarHBondContact O-CB 3.46Å; H776-M780 VanDerWaalsContact O-CG 3.27Å; H776-M780 WeakPolarHBondContact O-CG 3.29Å; H776-M780 PolarHBondContact O-N 3.12Å
777	L	75.8	Confident	79.3	Confident	28 Å²	28	58.9 Å²	58.9	15%	0.147	27%	0.267	C	S	.	.	H	α-helix	trans	-79.9	-35.5	-177.8	-152.6	155.5	0	0	0	110.4	L771 K774 D775 T781 L819	L771-L777 HydrophobicContact CD2-CD2 3.82Å; K774-L777 HydrophobicContact CB-CB 3.77Å; K774-L777 HydrophobicContact CD-CD1 3.99Å; K774-L777 WeakPolarHBondContact O-CA 3.29Å; K774-L777 WeakPolarHBondContact O-CB 3.2Å; K774-L777 PolarHBondContact O-N 3.23Å; D775-L777 VanDerWaalsContact C-N 3.26Å; D775-L777 PolarHBondContact O-N 2.86Å; L777-T781 HydrophobicContact CD2-CG2 4.02Å; L777-T781 WeakPolarHBondContact O-CB 3.2Å; L777-T781 WeakPolarHBondContact O-CG2 3.36Å; L777-T781 PolarHBondContact O-N 3.34Å; L777-T781 PolarHBondContact O-OG1 3.39Å; L777-L819 HydrophobicContact CD2-CD1 3.96Å; L777-L819 HydrophobicContact CD2-CD2 4.39Å; L777-L819 HydrophobicContact CD2-CG 4.27Å
778	F	86.1	Confident	79.1	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-57	-51.5	166.1	171.4	-87.1	0	0	0	111.6	V718 V721 R722 L725 K774 D775 T781 L782 M815	V718-F778 HydrophobicContact CB-CZ 4.35Å; V718-F778 HydrophobicContact CG1-CE1 3.94Å; V718-F778 HydrophobicContact CG1-CZ 3.9Å; V718-F778 HydrophobicContact CG2-CE1 3.96Å; V718-F778 HydrophobicContact CG2-CZ 4.08Å; V721-F778 HydrophobicContact CG1-CE2 4.14Å; R722-F778 HydrophobicContact CG-CD2 4.34Å; R722-F778 HydrophobicContact CG-CE2 3.55Å; R722-F778 HydrophobicContact CG-CZ 3.75Å; L725-F778 HydrophobicContact CD1-CD2 3.84Å; L725-F778 HydrophobicContact CD1-CE2 3.81Å; K774-F778 PolarHBondContact O-N 2.99Å; D775-F778 WeakPolarHBondContact O-CB 3.43Å; D775-F778 PolarHBondContact O-N 3.04Å; F778-T781 PolarHBondContact O-N 3.18Å; F778-T781 PolarHBondContact O-OG1 3.39Å; F778-L782 HydrophobicContact CE1-CD2 4.18Å; F778-L782 HydrophobicContact CZ-CD2 4.35Å; F778-L782 VanDerWaalsContact O-CB 3.26Å; F778-L782 WeakPolarHBondContact O-CB 3.47Å; F778-L782 PolarHBondContact O-N 3.34Å; F778-M815 HydrophobicContact CD2-CE 3.7Å; F778-M815 HydrophobicContact CE2-CE 3.93Å; F778-M815 HydrophobicContact CG-CE 4.24Å; F778-M815 WeakPolarHBondContact O-CE 3.49Å
779	W	81.3	Confident	79	Confident	53 Å²	53	61.5 Å²	61.5	20%	0.201	29%	0.29	C	S	.	.	H	α-helix	trans	-66.8	-43.6	-179.8	-73.4	114.1	0	0	0	112.4	K714 V718 D775 T781 L782 D783	K714-W779 HydrophobicContact CB-CZ3 4.47Å; V718-W779 HydrophobicContact CG2-CH2 3.58Å; V718-W779 HydrophobicContact CG2-CZ2 4.34Å; V718-W779 HydrophobicContact CG2-CZ3 3.69Å; D775-W779 PolarHBondContact O-N 2.97Å; W779-T781 PolarHBondContact O-N 3.22Å; W779-L782 HydrophobicContact CE3-CD2 4.07Å; W779-L782 HydrophobicContact CZ3-CD2 4.09Å; W779-L782 PolarHBondContact O-N 3.37Å; W779-D783 WeakPolarHBondContact O-CB 3.26Å; W779-D783 PolarHBondContact O-N 3.09Å
780	M	76.4	Confident	79.1	Confident	121 Å²	121	66.7 Å²	66.7	60%	0.596	31%	0.308	S	S	*	.	H	α-helix	trans	-59.8	-44.3	175.7	-77.4	-179.5	72.3	0	0	112.9	H776 D783 Q784	H776-M780 WeakPolarHBondContact O-CB 3.46Å; H776-M780 VanDerWaalsContact O-CG 3.27Å; H776-M780 WeakPolarHBondContact O-CG 3.29Å; H776-M780 PolarHBondContact O-N 3.12Å; M780-D783 PolarHBondContact O-N 3.02Å; M780-Q784 WeakPolarHBondContact O-CG 3.39Å; M780-Q784 PolarHBondContact O-N 3Å
781	T	80.3	Confident	79	Confident	9 Å²	9	64.1 Å²	64.1	6%	0.055	30%	0.295	C	S	.	.	H	α-helix	trans	-73.8	-32.9	179.7	51.6	0	0	0	0	112.3	L771 L777 F778 W779 Q784 V785 M815 L819	L771-T781 HydrophobicContact CD2-CG2 4.15Å; L771-T781 WeakPolarHBondContact CD2-OG1 3.4Å; L777-T781 HydrophobicContact CD2-CG2 4.02Å; L777-T781 WeakPolarHBondContact O-CB 3.2Å; L777-T781 WeakPolarHBondContact O-CG2 3.36Å; L777-T781 PolarHBondContact O-N 3.34Å; L777-T781 PolarHBondContact O-OG1 3.39Å; F778-T781 PolarHBondContact O-N 3.18Å; F778-T781 PolarHBondContact O-OG1 3.39Å; W779-T781 PolarHBondContact O-N 3.22Å; T781-Q784 PolarHBondContact O-N 2.83Å; T781-V785 WeakPolarHBondContact O-CB 3.49Å; T781-V785 WeakPolarHBondContact O-CG2 3.41Å; T781-V785 PolarHBondContact O-N 3.12Å; T781-M815 WeakPolarHBondContact OG1-CE 3.34Å; T781-L819 HydrophobicContact CG2-CG 4.43Å
782	L	83.8	Confident	78.6	Confident	1 Å²	1	70 Å²	70	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-62.4	-46.7	170.8	-177.3	62.7	0	0	0	110.3	V718 F778 W779 Q784 V785 M786 I811 M815	V718-L782 HydrophobicContact CG2-CD2 3.62Å; F778-L782 HydrophobicContact CE1-CD2 4.18Å; F778-L782 HydrophobicContact CZ-CD2 4.35Å; F778-L782 VanDerWaalsContact O-CB 3.26Å; F778-L782 WeakPolarHBondContact O-CB 3.47Å; F778-L782 PolarHBondContact O-N 3.34Å; W779-L782 HydrophobicContact CE3-CD2 4.07Å; W779-L782 HydrophobicContact CZ3-CD2 4.09Å; W779-L782 PolarHBondContact O-N 3.37Å; L782-Q784 VanDerWaalsContact C-N 3.34Å; L782-Q784 PolarHBondContact O-N 3.07Å; L782-V785 CarbonylContact O-C 3.59Å; L782-V785 PolarHBondContact O-N 2.88Å; L782-V785 VanDerWaalsContact O-N 3.14Å; L782-M786 HydrophobicContact CD1-CG 4.15Å; L782-M786 HydrophobicContact CG-CG 4.23Å; L782-M786 WeakPolarHBondContact O-CB 3.28Å; L782-M786 WeakPolarHBondContact O-CG 3.5Å; L782-M786 PolarHBondContact O-N 3.28Å; L782-I811 HydrophobicContact CD1-CG2 3.7Å; L782-M815 HydrophobicContact CB-CE 3.92Å; L782-M815 HydrophobicContact CB-SD 4.26Å; L782-M815 HydrophobicContact CD1-SD 4Å
783	D	77.4	Confident	78.3	Confident	40 Å²	40	70 Å²	70	21%	0.214	33%	0.325	C	S	.	.	H	α-helix	trans	-64.1	-34.6	177.6	-97.9	56.7	0	0	0	113.4	K714 W779 M780 R787	K714-D783 WeakPolarHBondContact CE-OD1 3.45Å; K714-D783 IonicContact NZ-OD1 3.02Å; K714-D783 PolarHBondContact NZ-OD1 3.3Å; K714-D783 IonicContact NZ-OD2 3.04Å; K714-D783 PolarHBondContact NZ-OD2 3.3Å; W779-D783 WeakPolarHBondContact O-CB 3.26Å; W779-D783 PolarHBondContact O-N 3.09Å; M780-D783 PolarHBondContact O-N 3.02Å; D783-R787 VanDerWaalsContact O-CG 3.32Å; D783-R787 WeakPolarHBondContact O-CG 3.4Å; D783-R787 PolarHBondContact O-N 3.14Å
784	Q	79.3	Confident	78.1	Confident	109 Å²	109	63 Å²	63	51%	0.509	30%	0.303	S	S	.	.	H	α-helix	trans	-68	-38.9	171.2	-75.5	179.6	-21.3	0	0	112.5	M780 T781 L782 R787	M780-Q784 WeakPolarHBondContact O-CG 3.39Å; M780-Q784 PolarHBondContact O-N 3Å; T781-Q784 PolarHBondContact O-N 2.83Å; L782-Q784 VanDerWaalsContact C-N 3.34Å; L782-Q784 PolarHBondContact O-N 3.07Å; Q784-R787 PolarHBondContact O-N 3.08Å
785	V	82.8	Confident	77.6	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-74.1	-35.2	179.3	168.9	0	0	0	0	111.7	T781 L782 R787 D788 V791 I811 Q814 M815 R818	T781-V785 WeakPolarHBondContact O-CB 3.49Å; T781-V785 WeakPolarHBondContact O-CG2 3.41Å; T781-V785 PolarHBondContact O-N 3.12Å; L782-V785 CarbonylContact O-C 3.59Å; L782-V785 PolarHBondContact O-N 2.88Å; L782-V785 VanDerWaalsContact O-N 3.14Å; V785-R787 PolarHBondContact O-N 3.03Å; V785-D788 WeakPolarHBondContact O-CB 3.36Å; V785-D788 PolarHBondContact O-N 3.34Å; V785-V791 HydrophobicContact CG1-CG2 3.8Å; V785-V791 VanDerWaalsContact O-CB 3.27Å; V785-V791 WeakPolarHBondContact O-CB 3.45Å; V785-V791 WeakPolarHBondContact O-CG2 3.33Å; V785-I811 HydrophobicContact CG1-CG2 3.97Å; V785-Q814 HydrophobicContact CG1-CB 3.71Å; V785-Q814 HydrophobicContact CG2-CB 4.02Å; V785-M815 HydrophobicContact CB-CG 4.24Å; V785-M815 HydrophobicContact CG1-CG 4.43Å; V785-M815 HydrophobicContact CG2-CB 4.49Å; V785-M815 HydrophobicContact CG2-CG 3.85Å; V785-R818 HydrophobicContact CG2-CG 4.05Å
786	M	77.5	Confident	77.4	Confident	14 Å²	14	63.3 Å²	63.3	7%	0.069	30%	0.303	C	S	.	.	H	α-helix	trans	-67.3	-20.2	173.8	-69.1	-68.3	-67	0	0	113.1	I713 K714 L782 V791 L795 I811	I713-M786 HydrophobicContact CG2-CE 3.8Å; K714-M786 HydrophobicContact CG-CE 4.4Å; L782-M786 HydrophobicContact CD1-CG 4.15Å; L782-M786 HydrophobicContact CG-CG 4.23Å; L782-M786 WeakPolarHBondContact O-CB 3.28Å; L782-M786 WeakPolarHBondContact O-CG 3.5Å; L782-M786 PolarHBondContact O-N 3.28Å; M786-V791 HydrophobicContact SD-CG1 4.36Å; M786-L795 HydrophobicContact CE-CD1 3.56Å; M786-L795 HydrophobicContact SD-CD1 3.79Å; M786-I811 HydrophobicContact SD-CD1 4.47Å
787	R	74.5	Confident	77.2	Confident	202 Å²	202	64.8 Å²	64.8	76%	0.762	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-7.6	171.4	-68.3	174.9	-169	-140.4	3.1	113.5	D783 Q784 V785	D783-R787 VanDerWaalsContact O-CG 3.32Å; D783-R787 WeakPolarHBondContact O-CG 3.4Å; D783-R787 PolarHBondContact O-N 3.14Å; Q784-R787 PolarHBondContact O-N 3.08Å; V785-R787 PolarHBondContact O-N 3.03Å
788	D	76.9	Confident	76.7	Confident	15 Å²	15	65 Å²	65	8%	0.08	31%	0.312	C	S	.	.	S	Bend	trans	-69.7	124.4	178.8	-163.3	-42.8	0	0	0	109.7	V785 K790 V791 K792 R818	V785-D788 WeakPolarHBondContact O-CB 3.36Å; V785-D788 PolarHBondContact O-N 3.34Å; D788-K790 PolarHBondContact O-N 2.84Å; D788-K790 VanDerWaalsContact O-N 3.09Å; D788-K790 PolarHBondContact OD1-N 2.88Å; D788-V791 HydrophobicContact CB-CB 4.26Å; D788-V791 HydrophobicContact CB-CG2 4.06Å; D788-V791 PolarHBondContact O-N 2.74Å; D788-K792 PolarHBondContact O-N 3.48Å; D788-R818 IonicContact OD1-NH2 3.64Å; D788-R818 IonicContact OD2-CZ 3.23Å; D788-R818 IonicContact OD2-NE 2.69Å; D788-R818 PolarHBondContact OD2-NE 3.04Å; D788-R818 IonicContact OD2-NH2 2.86Å; D788-R818 PolarHBondContact OD2-NH2 3.39Å
789	P	78.8	Confident	75.3	Confident	98 Å²	98	72.3 Å²	72.3	64%	0.636	35%	0.35	S	S	*	.	H	α-helix	trans	-53.4	-34.3	-178.8	-28.7	35.8	0	0	0	113.6	V791 K792 S793	P789-V791 VanDerWaalsContact C-N 3.32Å; P789-V791 PolarHBondContact O-N 2.94Å; P789-K792 PolarHBondContact O-N 3.03Å; P789-S793 PolarHBondContact O-N 3.47Å; P789-S793 PolarHBondContact O-OG 3.13Å
790	K	78.9	Confident	74.3	Confident	144 Å²	144	76.8 Å²	76.8	63%	0.626	37%	0.371	S	S	*	.	H	α-helix	trans	-69.9	-27.7	178.3	-62.7	-172.1	178	-172.4	0	113.1	D788 S793 T794 F810	D788-K790 PolarHBondContact O-N 2.84Å; D788-K790 VanDerWaalsContact O-N 3.09Å; D788-K790 PolarHBondContact OD1-N 2.88Å; K790-S793 PolarHBondContact O-OG 3.48Å; K790-T794 WeakPolarHBondContact O-CG2 3.42Å; K790-T794 PolarHBondContact O-OG1 2.75Å; K790-F810 HydrophobicContact CB-CZ 4.3Å
791	V	78.6	Confident	73.4	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-81.3	-43.9	174	174.6	0	0	0	0	109.6	V785 M786 D788 P789 S793 T794 L795 F810 I811 Q814	V785-V791 HydrophobicContact CG1-CG2 3.8Å; V785-V791 VanDerWaalsContact O-CB 3.27Å; V785-V791 WeakPolarHBondContact O-CB 3.45Å; V785-V791 WeakPolarHBondContact O-CG2 3.33Å; M786-V791 HydrophobicContact SD-CG1 4.36Å; D788-V791 HydrophobicContact CB-CB 4.26Å; D788-V791 HydrophobicContact CB-CG2 4.06Å; D788-V791 PolarHBondContact O-N 2.74Å; P789-V791 VanDerWaalsContact C-N 3.32Å; P789-V791 PolarHBondContact O-N 2.94Å; V791-S793 VanDerWaalsContact C-N 3.34Å; V791-S793 PolarHBondContact O-N 3.38Å; V791-T794 WeakPolarHBondContact CA-OG1 3.35Å; V791-T794 PolarHBondContact O-N 3.09Å; V791-T794 PolarHBondContact O-OG1 3.21Å; V791-L795 HydrophobicContact CG1-CD1 3.83Å; V791-L795 HydrophobicContact CG1-CG 4.31Å; V791-L795 WeakPolarHBondContact O-CG 3.26Å; V791-L795 PolarHBondContact O-N 3.08Å; V791-F810 HydrophobicContact CG2-CD1 4.21Å; V791-F810 HydrophobicContact CG2-CE1 3.71Å; V791-I811 HydrophobicContact CG1-CD1 4.28Å; V791-I811 HydrophobicContact CG1-CG1 4.03Å; V791-Q814 HydrophobicContact CG2-CG 4.38Å
792	K	74.6	Confident	72.3	Confident	122 Å²	122	80.8 Å²	80.8	53%	0.53	40%	0.4	S	S	.	.	H	α-helix	trans	-54.8	-47.4	176.8	-166.5	-172.6	173.7	-174.1	0	111.6	D788 P789 L795 Q796	D788-K792 PolarHBondContact O-N 3.48Å; P789-K792 PolarHBondContact O-N 3.03Å; K792-L795 PolarHBondContact O-N 3.29Å; K792-Q796 VanDerWaalsContact O-CG 3.32Å; K792-Q796 WeakPolarHBondContact O-CG 3.29Å; K792-Q796 PolarHBondContact O-N 2.99Å; K792-Q796 PolarHBondContact O-OE1 3.03Å
793	S	75.3	Confident	71.5	Confident	52 Å²	52	85.7 Å²	85.7	36%	0.364	42%	0.424	S	S	.	.	H	α-helix	trans	-63.9	-45.5	177.3	60.8	0	0	0	0	112.9	P789 K790 V791 L795 Q796 Q797	P789-S793 PolarHBondContact O-N 3.47Å; P789-S793 PolarHBondContact O-OG 3.13Å; K790-S793 PolarHBondContact O-OG 3.48Å; V791-S793 VanDerWaalsContact C-N 3.34Å; V791-S793 PolarHBondContact O-N 3.38Å; S793-L795 PolarHBondContact O-N 2.8Å; S793-Q796 PolarHBondContact O-N 3.44Å; S793-Q796 VanDerWaalsContact O-N 3.12Å; S793-Q797 WeakPolarHBondContact O-CG 3.43Å; S793-Q797 PolarHBondContact O-N 2.91Å; S793-Q797 VanDerWaalsContact O-N 3.1Å
794	T	74.2	Confident	70.9	Confident	40 Å²	40	84.5 Å²	84.5	25%	0.245	42%	0.418	C	S	.	.	H	α-helix	trans	-63.2	-28.9	176.6	57.1	0	0	0	0	113.4	K790 V791 I798 F810	K790-T794 WeakPolarHBondContact O-CG2 3.42Å; K790-T794 PolarHBondContact O-OG1 2.75Å; V791-T794 WeakPolarHBondContact CA-OG1 3.35Å; V791-T794 PolarHBondContact O-N 3.09Å; V791-T794 PolarHBondContact O-OG1 3.21Å; T794-I798 VanDerWaalsContact O-CD1 3.32Å; T794-I798 WeakPolarHBondContact O-CD1 2.97Å; T794-I798 WeakPolarHBondContact O-CG1 3.07Å; T794-F810 HydrophobicContact CG2-CE1 4.26Å
795	L	69.1	Low	70.3	Confident	28 Å²	28	87.9 Å²	87.9	15%	0.147	43%	0.426	C	S	.	.	H	α-helix	trans	-77.8	-34.5	173.6	-69.4	173.2	0	0	0	112.2	I717 M786 V791 K792 S793 Q797 I798 L804 I811	I717-L795 HydrophobicContact CD1-CD1 4.49Å; I717-L795 HydrophobicContact CD1-CD2 3.72Å; M786-L795 HydrophobicContact CE-CD1 3.56Å; M786-L795 HydrophobicContact SD-CD1 3.79Å; V791-L795 HydrophobicContact CG1-CD1 3.83Å; V791-L795 HydrophobicContact CG1-CG 4.31Å; V791-L795 WeakPolarHBondContact O-CG 3.26Å; V791-L795 PolarHBondContact O-N 3.08Å; K792-L795 PolarHBondContact O-N 3.29Å; S793-L795 PolarHBondContact O-N 2.8Å; L795-Q797 PolarHBondContact O-N 3.47Å; L795-I798 HydrophobicContact CD2-CD1 4.5Å; L795-I798 PolarHBondContact O-N 2.93Å; L795-L804 HydrophobicContact CD2-CD2 3.85Å; L795-I811 HydrophobicContact CD2-CD1 4.47Å
796	Q	69.5	Low	70	Confident	135 Å²	135	92 Å²	92	63%	0.631	45%	0.451	S	S	*	.	H	α-helix	trans	-67.6	-22.7	174.3	-72.9	175.4	-83.8	0	0	113.1	K792 S793 I798	K792-Q796 VanDerWaalsContact O-CG 3.32Å; K792-Q796 WeakPolarHBondContact O-CG 3.29Å; K792-Q796 PolarHBondContact O-N 2.99Å; K792-Q796 PolarHBondContact O-OE1 3.03Å; S793-Q796 PolarHBondContact O-N 3.44Å; S793-Q796 VanDerWaalsContact O-N 3.12Å; Q796-I798 VanDerWaalsContact C-N 3.31Å
797	Q	69.5	Low	70.1	Confident	149 Å²	149	91.7 Å²	91.7	70%	0.696	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-6.6	173.5	-70.7	172.4	-26.5	0	0	113.8	S793 L795 N799	S793-Q797 WeakPolarHBondContact O-CG 3.43Å; S793-Q797 PolarHBondContact O-N 2.91Å; S793-Q797 VanDerWaalsContact O-N 3.1Å; L795-Q797 PolarHBondContact O-N 3.47Å; Q797-N799 PolarHBondContact O-N 2.86Å
798	I	65.9	Low	70.5	Confident	34 Å²	34	82.1 Å²	82.1	17%	0.174	41%	0.414	C	S	.	.			trans	-96.6	86.7	-173.3	-70.5	169.6	0	0	0	110.8	T794 L795 Q796 K800 M803 L804	T794-I798 VanDerWaalsContact O-CD1 3.32Å; T794-I798 WeakPolarHBondContact O-CD1 2.97Å; T794-I798 WeakPolarHBondContact O-CG1 3.07Å; L795-I798 HydrophobicContact CD2-CD1 4.5Å; L795-I798 PolarHBondContact O-N 2.93Å; Q796-I798 VanDerWaalsContact C-N 3.31Å; I798-K800 WeakPolarHBondContact CG2-O 3.37Å; I798-K800 PolarHBondContact O-N 3.49Å; I798-K800 VanDerWaalsContact O-N 3.13Å; I798-M803 HydrophobicContact CG2-CB 3.7Å; I798-L804 HydrophobicContact CB-CD2 4.29Å; I798-L804 HydrophobicContact CG2-CD2 3.72Å; I798-L804 HydrophobicContact CG2-CG 3.93Å
799	N	56.5	Low	70.8	Confident	152 Å²	152	82.5 Å²	82.5	81%	0.813	42%	0.418	S	S	*	.			trans	-73	2	-176.9	-64.9	-2	0	0	0	115.1	Q797	Q797-N799 PolarHBondContact O-N 2.86Å
800	K	61.2	Low	71.1	Confident	148 Å²	148	81.1 Å²	81.1	64%	0.643	40%	0.402	S	S	*	.	S	Bend	trans	-141.5	133.2	178.9	-67.3	-173.9	178.7	179.1	0	111.3	I798 S802 M803	I798-K800 WeakPolarHBondContact CG2-O 3.37Å; I798-K800 PolarHBondContact O-N 3.49Å; I798-K800 VanDerWaalsContact O-N 3.13Å; K800-S802 PolarHBondContact O-N 3.22Å; K800-S802 VanDerWaalsContact O-N 3.16Å; K800-M803 WeakPolarHBondContact O-CA 3.35Å; K800-M803 WeakPolarHBondContact O-CB 3.4Å; K800-M803 PolarHBondContact O-N 2.99Å
801	I	56.1	Low	71.4	Confident	127 Å²	127	74.3 Å²	74.3	65%	0.651	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-57.3	-33.4	179.5	-64.9	175.5	0	0	0	112.1	V716 M803 L804	V716-I801 HydrophobicContact CG1-CG2 4.32Å; I801-M803 VanDerWaalsContact C-N 3.26Å; I801-M803 PolarHBondContact O-N 3.1Å; I801-L804 HydrophobicContact CB-CD1 4.49Å; I801-L804 HydrophobicContact CG2-CD1 4.25Å; I801-L804 WeakPolarHBondContact O-CB 3.47Å; I801-L804 PolarHBondContact O-N 3.49Å
802	S	57.6	Low	71.7	Confident	86 Å²	86	74.3 Å²	74.3	60%	0.601	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-59.5	-34.4	174.2	52.6	0	0	0	0	113.2	K800	K800-S802 PolarHBondContact O-N 3.22Å; K800-S802 VanDerWaalsContact O-N 3.16Å
803	M	66.7	Low	72.2	Confident	105 Å²	105	75.7 Å²	75.7	52%	0.517	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-77.6	-15.5	179.4	-76.9	-69.9	161.9	0	0	113.4	I798 K800 I801 R805 T806	I798-M803 HydrophobicContact CG2-CB 3.7Å; K800-M803 WeakPolarHBondContact O-CA 3.35Å; K800-M803 WeakPolarHBondContact O-CB 3.4Å; K800-M803 PolarHBondContact O-N 2.99Å; I801-M803 VanDerWaalsContact C-N 3.26Å; I801-M803 PolarHBondContact O-N 3.1Å; M803-R805 PolarHBondContact O-N 3.39Å; M803-T806 PolarHBondContact O-N 3.01Å; M803-T806 PolarHBondContact O-OG1 2.92Å; M803-T806 HydrophobicContact SD-CG2 3.83Å
804	L	64.6	Low	72.6	Confident	15 Å²	15	74.9 Å²	74.9	8%	0.079	37%	0.365	C	S	.	.	H	α-helix	trans	-56.4	-25.2	176.2	-70	170.9	0	0	0	112.7	V716 I717 L795 I798 I801 T806 S807	V716-L804 HydrophobicContact CB-CD1 4.37Å; V716-L804 HydrophobicContact CG1-CB 4.27Å; V716-L804 HydrophobicContact CG1-CD1 4.01Å; I717-L804 HydrophobicContact CD1-CD2 4.47Å; I717-L804 HydrophobicContact CG1-CB 4.4Å; L795-L804 HydrophobicContact CD2-CD2 3.85Å; I798-L804 HydrophobicContact CB-CD2 4.29Å; I798-L804 HydrophobicContact CG2-CD2 3.72Å; I798-L804 HydrophobicContact CG2-CG 3.93Å; I801-L804 HydrophobicContact CB-CD1 4.49Å; I801-L804 HydrophobicContact CG2-CD1 4.25Å; I801-L804 WeakPolarHBondContact O-CB 3.47Å; I801-L804 PolarHBondContact O-N 3.49Å; L804-T806 VanDerWaalsContact C-N 3.27Å; L804-T806 PolarHBondContact O-N 3.21Å; L804-S807 PolarHBondContact O-N 3.08Å; L804-S807 PolarHBondContact O-OG 2.74Å
805	R	67.2	Low	73.1	Confident	180 Å²	180	73 Å²	73	68%	0.679	35%	0.353	S	S	*	.	H	α-helix	trans	-63.4	-25.8	174.7	-64.1	-174.9	176.5	173.3	2.3	113.9	P720 M803 A808	P720-R805 HydrophobicContact CG-CG 3.98Å; M803-R805 PolarHBondContact O-N 3.39Å; R805-A808 WeakPolarHBondContact O-CB 3.42Å; R805-A808 PolarHBondContact O-N 2.83Å
806	T	76.2	Confident	73.8	Confident	86 Å²	86	72 Å²	72	53%	0.528	35%	0.348	S	S	.	.	H	α-helix	trans	-74.9	-27.4	179.1	69.2	0	0	0	0	112.3	M803 L804 A808 P809	M803-T806 PolarHBondContact O-N 3.01Å; M803-T806 PolarHBondContact O-OG1 2.92Å; M803-T806 HydrophobicContact SD-CG2 3.83Å; L804-T806 VanDerWaalsContact C-N 3.27Å; L804-T806 PolarHBondContact O-N 3.21Å; T806-A808 VanDerWaalsContact C-N 3.31Å; T806-A808 PolarHBondContact O-N 2.94Å; T806-P809 VanDerWaalsContact O-CD 3.24Å; T806-P809 WeakPolarHBondContact O-CD 3.48Å; T806-P809 VanDerWaalsContact O-CG 3.27Å; T806-P809 WeakPolarHBondContact O-CG 3.42Å
807	S	79.4	Confident	74.3	Confident	7 Å²	7	70.3 Å²	70.3	5%	0.049	34%	0.343	C	S	.	.	H	α-helix	trans	-70.5	-24.2	174.8	75.5	0	0	0	0	113.5	L804 F810 I811	L804-S807 PolarHBondContact O-N 3.08Å; L804-S807 PolarHBondContact O-OG 2.74Å; S807-F810 WeakPolarHBondContact O-CA 3.27Å; S807-F810 WeakPolarHBondContact O-CB 3.34Å; S807-F810 PolarHBondContact O-N 3.26Å; S807-I811 PolarHBondContact O-N 3.09Å
808	A	83	Confident	74.5	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.008	33%	0.333	C	S	.	.	H	α-helix	trans	-54.9	-45.1	-174.7	0	0	0	0	0	115.5	P720 V721 Y724 R805 T806 F810 I811 A812	P720-A808 HydrophobicContact CB-CB 3.4Å; P720-A808 VanDerWaalsContact CB-CB 3.4Å; V721-A808 HydrophobicContact CG2-CB 3.89Å; Y724-A808 HydrophobicContact CD2-CB 4.47Å; R805-A808 WeakPolarHBondContact O-CB 3.42Å; R805-A808 PolarHBondContact O-N 2.83Å; T806-A808 VanDerWaalsContact C-N 3.31Å; T806-A808 PolarHBondContact O-N 2.94Å; A808-F810 VanDerWaalsContact C-N 3.3Å; A808-F810 PolarHBondContact O-N 3.25Å; A808-I811 PolarHBondContact O-N 3.13Å; A808-A812 VanDerWaalsContact O-CB 3.27Å; A808-A812 WeakPolarHBondContact O-CB 3.17Å; A808-A812 PolarHBondContact O-N 3.16Å
809	P	83.5	Confident	74.5	Confident	24 Å²	24	69.1 Å²	69.1	16%	0.156	33%	0.332	C	S	.	.	H	α-helix	trans	-60.1	-34.4	172.3	18.2	-31.2	0	0	0	113.9	Y724 T806 R813	Y724-P809 HydrophobicContact CD1-CB 3.93Å; Y724-P809 HydrophobicContact CD2-CB 4.06Å; Y724-P809 HydrophobicContact CD2-CG 4.37Å; Y724-P809 HydrophobicContact CE1-CB 3.74Å; Y724-P809 HydrophobicContact CE2-CB 3.87Å; Y724-P809 HydrophobicContact CE2-CG 3.91Å; Y724-P809 HydrophobicContact CG-CB 4.07Å; T806-P809 VanDerWaalsContact O-CD 3.24Å; T806-P809 WeakPolarHBondContact O-CD 3.48Å; T806-P809 VanDerWaalsContact O-CG 3.27Å; T806-P809 WeakPolarHBondContact O-CG 3.42Å; P809-R813 WeakPolarHBondContact O-CB 3.49Å; P809-R813 WeakPolarHBondContact O-CD 3.5Å; P809-R813 WeakPolarHBondContact O-CG 3.28Å; P809-R813 PolarHBondContact O-N 3.41Å
810	F	85.2	Confident	74.7	Confident	69 Å²	69	65 Å²	65	30%	0.303	32%	0.315	S	S	.	.	H	α-helix	trans	-70.1	-49.9	176.5	178.4	-113.6	0	0	0	110.7	K790 V791 T794 S807 A808 A812 R813 Q814	K790-F810 HydrophobicContact CB-CZ 4.3Å; V791-F810 HydrophobicContact CG2-CD1 4.21Å; V791-F810 HydrophobicContact CG2-CE1 3.71Å; T794-F810 HydrophobicContact CG2-CE1 4.26Å; S807-F810 WeakPolarHBondContact O-CA 3.27Å; S807-F810 WeakPolarHBondContact O-CB 3.34Å; S807-F810 PolarHBondContact O-N 3.26Å; A808-F810 VanDerWaalsContact C-N 3.3Å; A808-F810 PolarHBondContact O-N 3.25Å; F810-A812 PolarHBondContact O-N 3.43Å; F810-R813 PolarHBondContact O-N 2.92Å; F810-Q814 HydrophobicContact CE1-CG 4.35Å; F810-Q814 HydrophobicContact CE2-CG 4.29Å; F810-Q814 VanDerWaalsContact CE2-NE2 3.35Å; F810-Q814 HydrophobicContact CZ-CG 4.19Å; F810-Q814 WeakPolarHBondContact O-CG 3.32Å; F810-Q814 PolarHBondContact O-N 2.88Å
811	I	85.3	Confident	73.8	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-58.4	-46	177.6	-65.3	171.7	0	0	0	111	I717 V721 L782 V785 M786 V791 L795 S807 A808 R813 Q814 M815	I717-I811 HydrophobicContact CD1-CD1 4Å; I717-I811 HydrophobicContact CG2-CD1 3.8Å; V721-I811 HydrophobicContact CG1-CG2 4.45Å; V721-I811 HydrophobicContact CG2-CB 3.98Å; V721-I811 HydrophobicContact CG2-CG2 3.78Å; L782-I811 HydrophobicContact CD1-CG2 3.7Å; V785-I811 HydrophobicContact CG1-CG2 3.97Å; M786-I811 HydrophobicContact SD-CD1 4.47Å; V791-I811 HydrophobicContact CG1-CD1 4.28Å; V791-I811 HydrophobicContact CG1-CG1 4.03Å; L795-I811 HydrophobicContact CD2-CD1 4.47Å; S807-I811 PolarHBondContact O-N 3.09Å; A808-I811 PolarHBondContact O-N 3.13Å; I811-R813 PolarHBondContact O-N 2.9Å; I811-Q814 PolarHBondContact O-N 2.86Å; I811-M815 HydrophobicContact CG2-SD 4.23Å; I811-M815 WeakPolarHBondContact O-CG 3.4Å; I811-M815 PolarHBondContact O-N 2.99Å
812	A	85.7	Confident	73.2	Confident	1 Å²	1	68.6 Å²	68.6	1%	0.008	33%	0.328	C	S	.	.	H	α-helix	trans	-60.8	-41.7	177.6	0	0	0	0	0	112.6	V721 L725 M728 A808 F810 M815 V816	V721-A812 HydrophobicContact CG1-CB 4.19Å; L725-A812 HydrophobicContact CD2-CB 4.2Å; L725-A812 HydrophobicContact CG-CB 4.25Å; M728-A812 HydrophobicContact CE-CB 3.96Å; M728-A812 WeakPolarHBondContact CE-O 3.28Å; A808-A812 VanDerWaalsContact O-CB 3.27Å; A808-A812 WeakPolarHBondContact O-CB 3.17Å; A808-A812 PolarHBondContact O-N 3.16Å; F810-A812 PolarHBondContact O-N 3.43Å; A812-M815 PolarHBondContact O-N 2.72Å; A812-V816 PolarHBondContact O-N 3.11Å
813	R	84.2	Confident	72.2	Confident	150 Å²	150	68.2 Å²	68.2	57%	0.566	33%	0.326	S	S	*	.	H	α-helix	trans	-62.5	-45.2	174	-71.9	169.9	-161.5	-147.2	6.3	111	M728 P809 F810 I811 M815 V816 L817	M728-R813 HydrophobicContact SD-CG 4.08Å; P809-R813 WeakPolarHBondContact O-CB 3.49Å; P809-R813 WeakPolarHBondContact O-CD 3.5Å; P809-R813 WeakPolarHBondContact O-CG 3.28Å; P809-R813 PolarHBondContact O-N 3.41Å; F810-R813 PolarHBondContact O-N 2.92Å; I811-R813 PolarHBondContact O-N 2.9Å; R813-M815 PolarHBondContact O-N 2.7Å; R813-V816 PolarHBondContact O-N 3.49Å; R813-L817 WeakPolarHBondContact O-CG 3.38Å; R813-L817 PolarHBondContact O-N 2.88Å
814	Q	83.7	Confident	70.7	Confident	35 Å²	35	68.7 Å²	68.7	16%	0.164	33%	0.325	C	S	.	.	H	α-helix	trans	-62.5	-39.5	177.9	-65.7	-60.7	-3.5	0	0	112.6	V785 V791 F810 I811 V816 L817 R818	V785-Q814 HydrophobicContact CG1-CB 3.71Å; V785-Q814 HydrophobicContact CG2-CB 4.02Å; V791-Q814 HydrophobicContact CG2-CG 4.38Å; F810-Q814 HydrophobicContact CE1-CG 4.35Å; F810-Q814 HydrophobicContact CE2-CG 4.29Å; F810-Q814 VanDerWaalsContact CE2-NE2 3.35Å; F810-Q814 HydrophobicContact CZ-CG 4.19Å; F810-Q814 WeakPolarHBondContact O-CG 3.32Å; F810-Q814 PolarHBondContact O-N 2.88Å; I811-Q814 PolarHBondContact O-N 2.86Å; Q814-V816 VanDerWaalsContact C-N 3.32Å; Q814-V816 PolarHBondContact O-N 3.39Å; Q814-L817 PolarHBondContact O-N 3.11Å; Q814-R818 WeakPolarHBondContact O-CB 3.42Å; Q814-R818 WeakPolarHBondContact O-CG 3.33Å; Q814-R818 PolarHBondContact O-N 3.39Å
815	M	85.1	Confident	69.2	Low	0 Å²	0	72.4 Å²	72.4	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-60.5	-39.9	174.7	-68.9	174.1	74.1	0	0	112.3	V721 L725 L771 F778 T781 L782 V785 I811 A812 R813	V721-M815 HydrophobicContact CG1-SD 3.61Å; L725-M815 HydrophobicContact CD1-CE 4.37Å; L771-M815 HydrophobicContact CD1-CB 3.93Å; L771-M815 HydrophobicContact CD2-CE 4.27Å; F778-M815 HydrophobicContact CD2-CE 3.7Å; F778-M815 HydrophobicContact CE2-CE 3.93Å; F778-M815 HydrophobicContact CG-CE 4.24Å; F778-M815 WeakPolarHBondContact O-CE 3.49Å; T781-M815 WeakPolarHBondContact OG1-CE 3.34Å; L782-M815 HydrophobicContact CB-CE 3.92Å; L782-M815 HydrophobicContact CB-SD 4.26Å; L782-M815 HydrophobicContact CD1-SD 4Å; V785-M815 HydrophobicContact CB-CG 4.24Å; V785-M815 HydrophobicContact CG1-CG 4.43Å; V785-M815 HydrophobicContact CG2-CB 4.49Å; V785-M815 HydrophobicContact CG2-CG 3.85Å; I811-M815 HydrophobicContact CG2-SD 4.23Å; I811-M815 WeakPolarHBondContact O-CG 3.4Å; I811-M815 PolarHBondContact O-N 2.99Å; A812-M815 PolarHBondContact O-N 2.72Å; R813-M815 PolarHBondContact O-N 2.7Å
816	V	83.7	Confident	67.8	Low	7 Å²	7	70.4 Å²	70.4	4%	0.042	35%	0.347	C	S	.	.	H	α-helix	trans	-72.8	-30.9	176.1	167.3	0	0	0	0	112.4	L725 M728 K764 R767 A768 L771 A812 R813 Q814	L725-V816 HydrophobicContact CD2-CG2 3.79Å; M728-V816 HydrophobicContact CE-CB 4.29Å; M728-V816 HydrophobicContact CE-CG2 3.67Å; K764-V816 HydrophobicContact CB-CG1 4.33Å; R767-V816 HydrophobicContact CB-CG1 4.04Å; R767-V816 WeakPolarHBondContact CD-O 3.37Å; R767-V816 PolarHBondContact NH1-O 2.93Å; A768-V816 HydrophobicContact CB-CG2 4.03Å; L771-V816 HydrophobicContact CD1-CG2 4.03Å; A812-V816 PolarHBondContact O-N 3.11Å; R813-V816 PolarHBondContact O-N 3.49Å; Q814-V816 VanDerWaalsContact C-N 3.32Å; Q814-V816 PolarHBondContact O-N 3.39Å
817	L	80.1	Confident	65.9	Low	100 Å²	100	69.9 Å²	69.9	52%	0.524	34%	0.344	S	S	.	.	H	α-helix	trans	-73.9	-50.2	176.9	-70.7	169.4	0	0	0	112.2	R767 R813 Q814 L819	R767-L817 PolarHBondContact NH1-O 3.35Å; R813-L817 WeakPolarHBondContact O-CG 3.38Å; R813-L817 PolarHBondContact O-N 2.88Å; Q814-L817 PolarHBondContact O-N 3.11Å; L817-L819 PolarHBondContact O-N 2.88Å; L817-L819 VanDerWaalsContact O-N 3.12Å
818	R	73	Confident	63.8	Low	130 Å²	130	72.1 Å²	72.1	49%	0.491	36%	0.357	S	S	.	.	H	α-helix	trans	-60.1	-20.7	-179.2	-74.5	-79	-173.1	168.7	-4.2	113.9	V785 D788 Q814 S820	V785-R818 HydrophobicContact CG2-CG 4.05Å; D788-R818 IonicContact OD1-NH2 3.64Å; D788-R818 IonicContact OD2-CZ 3.23Å; D788-R818 IonicContact OD2-NE 2.69Å; D788-R818 PolarHBondContact OD2-NE 3.04Å; D788-R818 IonicContact OD2-NH2 2.86Å; D788-R818 PolarHBondContact OD2-NH2 3.39Å; Q814-R818 WeakPolarHBondContact O-CB 3.42Å; Q814-R818 WeakPolarHBondContact O-CG 3.33Å; Q814-R818 PolarHBondContact O-N 3.39Å; R818-S820 VanDerWaalsContact C-N 3.3Å; R818-S820 PolarHBondContact O-N 3.38Å
819	L	67.3	Low	61.5	Low	29 Å²	29	75.7 Å²	75.7	15%	0.152	38%	0.381	C	S	.	.			trans	-73.6	71.7	-178	-133.5	170.4	0	0	0	112.8	R767 L770 L771 L777 T781 L817	R767-L819 HydrophobicContact CB-CD1 4.48Å; R767-L819 PolarHBondContact NE-O 2.98Å; R767-L819 PolarHBondContact NH1-O 3.32Å; R767-L819 PolarHBondContact NH2-O 2.82Å; L770-L819 HydrophobicContact CD2-CD2 4.36Å; L771-L819 HydrophobicContact CD1-CD1 4.04Å; L771-L819 HydrophobicContact CD2-CD1 3.67Å; L771-L819 HydrophobicContact CG-CD1 3.61Å; L777-L819 HydrophobicContact CD2-CD1 3.96Å; L777-L819 HydrophobicContact CD2-CD2 4.39Å; L777-L819 HydrophobicContact CD2-CG 4.27Å; T781-L819 HydrophobicContact CG2-CG 4.43Å; L817-L819 PolarHBondContact O-N 2.88Å; L817-L819 VanDerWaalsContact O-N 3.12Å
820	S	59	Low	59.2	Low	66 Å²	66	81.5 Å²	81.5	46%	0.462	41%	0.406	S	S	.	.			trans	-87.3	157.3	178.6	79	0	0	0	0	113.3	R818 K822	R818-S820 VanDerWaalsContact C-N 3.3Å; R818-S820 PolarHBondContact O-N 3.38Å; S820-K822 VanDerWaalsContact C-N 3.33Å; S820-K822 PolarHBondContact O-N 2.94Å
821	H	43.1	Very low	57	Low	164 Å²	164	84.6 Å²	84.6	76%	0.759	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-22.5	-175.1	-90	-113.1	0	0	0	114.9	S823 F824	H821-S823 PolarHBondContact O-N 3.11Å; H821-F824 PolarHBondContact O-N 2.92Å
822	K	42.7	Very low	54.6	Low	185 Å²	185	91.1 Å²	91.1	80%	0.804	45%	0.45	S	S	*	.	H	α-helix	trans	-67.8	-27.5	-164.8	-75.4	-168.6	173.4	-173.8	0	114.9	S820 F824	S820-K822 VanDerWaalsContact C-N 3.33Å; S820-K822 PolarHBondContact O-N 2.94Å; K822-F824 VanDerWaalsContact C-N 3.33Å; K822-F824 PolarHBondContact O-N 3.5Å
823	S	38.5	Very low	52.1	Low	79 Å²	79	99.4 Å²	99.4	55%	0.552	49%	0.486	S	S	*	.	H	α-helix	trans	-79.5	-12.5	-179.4	56.6	0	0	0	0	114.5	H821 T827	H821-S823 PolarHBondContact O-N 3.11Å; S823-T827 PolarHBondContact O-OG1 3.06Å
824	F	34	Very low	49.6	Very low	114 Å²	114	94 Å²	94	50%	0.5	48%	0.476	S	S	.	.	H	α-helix	trans	-81.5	-34.4	-170.1	-163.7	-101.5	0	0	0	113.3	H821 K822 V828	H821-F824 PolarHBondContact O-N 2.92Å; K822-F824 VanDerWaalsContact C-N 3.33Å; K822-F824 PolarHBondContact O-N 3.5Å; F824-V828 HydrophobicContact CD1-CG2 4.31Å; F824-V828 HydrophobicContact CE1-CG2 4.11Å; F824-V828 HydrophobicContact CZ-CG2 4.22Å; F824-V828 WeakPolarHBondContact O-CB 3.44Å; F824-V828 WeakPolarHBondContact O-CG2 3.28Å; F824-V828 PolarHBondContact O-N 2.97Å
825	T	33.9	Very low	47.3	Very low	93 Å²	93	100 Å²	100	57%	0.571	50%	0.499	S	S	*	.	H	α-helix	trans	-71.6	-49.1	-176.8	47.5	0	0	0	0	112.4	V828 C829	T825-V828 PolarHBondContact O-N 3.2Å; T825-C829 WeakPolarHBondContact O-CB 3.41Å; T825-C829 PolarHBondContact O-N 2.94Å; T825-C829 PolarHBondContact O-SG 3.47Å
826	Q	37.8	Very low	44.8	Very low	139 Å²	139	108.4 Å²	108.4	65%	0.65	54%	0.535	S	S	*	.	H	α-helix	trans	-59.6	-49.6	179.6	-74.7	177.4	-36.5	0	0	112.2	V828 C829 Q830	Q826-V828 VanDerWaalsContact C-N 3.34Å; Q826-V828 PolarHBondContact O-N 2.81Å; Q826-C829 PolarHBondContact O-N 2.88Å; Q826-Q830 PolarHBondContact O-N 3.32Å; Q826-Q830 VanDerWaalsContact O-N 3.09Å
827	T	35.7	Very low	42.3	Very low	75 Å²	75	112.8 Å²	112.8	46%	0.46	56%	0.562	S	S	.	*	H	α-helix	trans	-69.7	-27.2	-176.5	52.9	0	0	0	0	113.9	S823 K831	S823-T827 PolarHBondContact O-OG1 3.06Å; T827-K831 WeakPolarHBondContact O-CG 3.33Å
828	V	35.9	Very low	40	Very low	53 Å²	53	111.9 Å²	111.9	32%	0.321	56%	0.561	S	S	.	*	H	α-helix	trans	-79.3	-43.4	173.7	173.2	0	0	0	0	111.5	F824 T825 Q826 K831 Q832	F824-V828 HydrophobicContact CD1-CG2 4.31Å; F824-V828 HydrophobicContact CE1-CG2 4.11Å; F824-V828 HydrophobicContact CZ-CG2 4.22Å; F824-V828 WeakPolarHBondContact O-CB 3.44Å; F824-V828 WeakPolarHBondContact O-CG2 3.28Å; F824-V828 PolarHBondContact O-N 2.97Å; T825-V828 PolarHBondContact O-N 3.2Å; Q826-V828 VanDerWaalsContact C-N 3.34Å; Q826-V828 PolarHBondContact O-N 2.81Å; V828-K831 PolarHBondContact O-N 2.91Å; V828-Q832 HydrophobicContact CG1-CG 4.45Å; V828-Q832 PolarHBondContact O-N 2.81Å
829	C	33.2	Very low	38	Very low	76 Å²	76	115.3 Å²	115.3	51%	0.514	58%	0.575	S	S	.	*	H	α-helix	trans	-64.5	-43.4	-179.2	-68.6	0	0	0	0	112.6	T825 Q826 K831 Q832 K833	T825-C829 WeakPolarHBondContact O-CB 3.41Å; T825-C829 PolarHBondContact O-N 2.94Å; T825-C829 PolarHBondContact O-SG 3.47Å; Q826-C829 PolarHBondContact O-N 2.88Å; C829-K831 PolarHBondContact O-N 2.93Å; C829-Q832 PolarHBondContact O-N 3.11Å; C829-K833 PolarHBondContact O-N 3.47Å; C829-K833 VanDerWaalsContact O-N 3.15Å
830	Q	36.2	Very low	36.3	Very low	146 Å²	146	118.7 Å²	118.7	68%	0.682	60%	0.597	S	S	*	*	H	α-helix	trans	-61.7	-42.2	175.8	-74.3	179.1	-22.4	0	0	111.8	Q826 K833 G834	Q826-Q830 PolarHBondContact O-N 3.32Å; Q826-Q830 VanDerWaalsContact O-N 3.09Å; Q830-K833 PolarHBondContact O-N 2.91Å; Q830-G834 PolarHBondContact O-N 3.32Å; Q830-G834 VanDerWaalsContact O-N 3.13Å
831	K	38	Very low	34.9	Very low	135 Å²	135	122 Å²	122	59%	0.587	61%	0.61	S	S	*	*	H	α-helix	trans	-68.7	-36.9	177.7	-74.1	-177.6	176.9	-179.5	0	112.7	T827 V828 C829 Y835	T827-K831 WeakPolarHBondContact O-CG 3.33Å; V828-K831 PolarHBondContact O-N 2.91Å; C829-K831 PolarHBondContact O-N 2.93Å; K831-Y835 VanDerWaalsContact O-CD2 3.27Å; K831-Y835 WeakPolarHBondContact O-CD2 3.34Å; K831-Y835 PolarHBondContact O-N 2.83Å
832	Q	36.5	Very low	34.2	Very low	137 Å²	137	122.1 Å²	122.1	64%	0.64	62%	0.615	S	S	*	*	H	α-helix	trans	-68.4	-33.7	176.7	-75.6	-169.8	-8.5	0	0	113.6	V828 C829	V828-Q832 HydrophobicContact CG1-CG 4.45Å; V828-Q832 PolarHBondContact O-N 2.81Å; C829-Q832 PolarHBondContact O-N 3.11Å
833	K	32.4	Very low	33.4	Very low	174 Å²	174	124 Å²	124	76%	0.757	62%	0.617	S	S	*	*	H	α-helix	trans	-69	-48.1	172.8	-74	-170.2	174.5	-175	0	111.8	C829 Q830 Y835 K836 T837	C829-K833 PolarHBondContact O-N 3.47Å; C829-K833 VanDerWaalsContact O-N 3.15Å; Q830-K833 PolarHBondContact O-N 2.91Å; K833-Y835 PolarHBondContact O-N 3.11Å; K833-K836 PolarHBondContact O-N 3.44Å; K833-T837 PolarHBondContact O-OG1 3.16Å
834	G	32.7	Very low	32.9	Very low	36 Å²	36	127.9 Å²	127.9	37%	0.371	63%	0.63	S	S	.	*	H	α-helix	trans	-65.2	-29.7	-177	0	0	0	0	0	115.8	Q830 T838	Q830-G834 PolarHBondContact O-N 3.32Å; Q830-G834 VanDerWaalsContact O-N 3.13Å; G834-T838 WeakPolarHBondContact O-CG2 3.32Å; G834-T838 PolarHBondContact O-OG1 3.34Å
835	Y	34	Very low	32.6	Very low	163 Å²	163	133.3 Å²	133.3	64%	0.639	65%	0.647	S	S	*	*	H	α-helix	trans	-83.7	-13.6	-179.5	-84.7	-102.7	0	0	0	114.5	K831 K833	K831-Y835 VanDerWaalsContact O-CD2 3.27Å; K831-Y835 WeakPolarHBondContact O-CD2 3.34Å; K831-Y835 PolarHBondContact O-N 2.83Å; K833-Y835 PolarHBondContact O-N 3.11Å
836	K	33.3	Very low	32.4	Very low	176 Å²	176	138.6 Å²	138.6	77%	0.765	66%	0.662	S	S	*	*	H	α-helix	trans	-83.9	-38.8	176.7	-84.4	-171.3	171.7	-176.9	0	113.3	K833	K833-K836 PolarHBondContact O-N 3.44Å
837	T	31.5	Very low	32	Very low	98 Å²	98	143.5 Å²	143.5	60%	0.601	68%	0.675	S	S	*	*	H	α-helix	trans	-78.3	-21.9	-179.6	21.5	0	0	0	0	114.4	K833 T840	K833-T837 PolarHBondContact O-OG1 3.16Å; T837-T840 PolarHBondContact O-OG1 3.42Å
838	T	30.9	Very low	31.6	Very low	82 Å²	82	143.6 Å²	143.6	50%	0.503	69%	0.69	S	S	.	*	S	Bend	trans	-86.6	-22.3	-177.1	45.3	0	0	0	0	114	G834	G834-T838 WeakPolarHBondContact O-CG2 3.32Å; G834-T838 PolarHBondContact O-OG1 3.34Å
839	Y	31	Very low	31.2	Very low	201 Å²	201	152.7 Å²	152.7	79%	0.788	72%	0.719	S	S	*	*	S	Bend	trans	-87.4	-10	-175.8	-112.1	-88.9	0	0	0	115.4
840	T	33.3	Very low	30.9	Very low	101 Å²	101	155.2 Å²	155.2	62%	0.62	74%	0.736	S	S	*	*	S	Bend	trans	-90.8	-29.2	179.9	44.8	0	0	0	0	113.6	T837	T837-T840 PolarHBondContact O-OG1 3.42Å
841	N	28.9	Very low	30.4	Very low	134 Å²	134	157.8 Å²	157.8	72%	0.717	75%	0.745	S	S	*	*	S	Bend	trans	-97.5	7.5	-166	-73.9	-28.7	0	0	0	116.2
842	L	28.2	Very low	29.9	Very low	168 Å²	168	163 Å²	163	88%	0.88	76%	0.761	S	S	*	*	S	Bend	trans	-113.6	26.4	-179.2	-82	167.6	0	0	0	114.7
843	R	25.7	Very low	29.6	Very low	224 Å²	224	162.8 Å²	162.8	85%	0.845	77%	0.769	S	S	*	*	S	Bend	trans	-111.1	145.7	159.9	-84.6	-178.7	166.3	175.2	-3.1	109.7
844	I	27.4	Very low	29.3	Very low	160 Å²	160	162.4 Å²	162.4	82%	0.821	77%	0.774	S	S	*	*			trans	84.4	140.2	178.3	-48.8	161.7	0	0	0	114
845	R	28.5	Very low	28.9	Very low	229 Å²	229	172.9 Å²	172.9	86%	0.864	80%	0.803	S	S	*	*			trans	71	133.2	-168.4	-48.4	178.5	-178.4	-173.9	-0.2	112.4
846	K	29.4	Very low	28.8	Very low	204 Å²	204	168.7 Å²	168.7	89%	0.887	81%	0.809	S	S	*	*			cis	-112.1	128.7	-2.4	-55.4	171.4	-176.5	176.7	0	107.1
847	R	29.5	Very low	28.7	Very low	242 Å²	242	171.5 Å²	171.5	91%	0.913	82%	0.815	S	S	*	*				55.8	127.6	58	-80.4	-169.2	170.7	-177.6	-1.8	113.7
848	G	27.3	Very low	28.6	Very low	76 Å²	76	175 Å²	175	78%	0.784	82%	0.822	S	S	*	*			trans	-172	2.8	-176.5	0	0	0	0	0	120.5
849	R	27.7	Very low	28.6	Very low	245 Å²	245	179 Å²	179	93%	0.925	83%	0.833	S	S	*	*	S	Bend	trans	-154.2	151.2	167.6	-111.7	168.5	-154.4	-145.1	1	112.8
850	C	27.3	Very low	28.5	Very low	128 Å²	128	175.4 Å²	175.4	87%	0.865	83%	0.827	S	S	*	*			trans	58.8	91.2	176.6	-55.8	0	0	0	0	117.1
851	K	26	Very low	28.5	Very low	201 Å²	201	177.9 Å²	177.9	87%	0.874	83%	0.829	S	S	*	*			trans	-77.2	177.1	152.2	-69.6	-179.9	177	177.4	0	110
852	R	27	Very low	28.6	Very low	245 Å²	245	179.1 Å²	179.1	93%	0.925	83%	0.83	S	S	*	*			trans	72.7	107.2	176.1	-53.5	173.4	174.2	162.4	-3.7	110.9
853	T	29.3	Very low	28.7	Very low	131 Å²	131	175.5 Å²	175.5	80%	0.804	82%	0.819	S	S	*	*				-132.3	148.5	61.2	34	0	0	0	0	116.6
854	L	27.5	Very low	28.8	Very low	166 Å²	166	173.1 Å²	173.1	87%	0.869	82%	0.815	S	S	*	*			trans	50.4	114.9	147	-63.2	164.8	0	0	0	121.5
855	R	24.1	Very low	28.9	Very low	256 Å²	256	171.7 Å²	171.7	97%	0.966	81%	0.805	S	S	*	*			trans	-91.5	153.9	148.3	-97	-177.2	165.7	-170.8	-4.8	109.3
856	G	30.6	Very low	28.8	Very low	75 Å²	75	165.8 Å²	165.8	77%	0.773	79%	0.79	S	S	*	*			trans	152.6	141.5	168.9	0	0	0	0	0	109.9
857	R	30.7	Very low	28.7	Very low	236 Å²	236	162.1 Å²	162.1	89%	0.891	78%	0.78	S	S	*	*			cis	-127.8	156.4	0.8	-67.4	174.3	173.7	175.2	-3.6	108.9
858	K	29.8	Very low	28.6	Very low	172 Å²	172	157.6 Å²	157.6	75%	0.748	77%	0.773	S	S	*	*				42.2	143.3	110.6	-48.1	-171	176.8	-167.9	0	115.5
859	F	30.8	Very low	28.4	Very low	166 Å²	166	162.5 Å²	162.5	73%	0.728	78%	0.776	S	S	*	*			cis	-130.5	153.8	15	-84.4	-93.6	0	0	0	110.1
860	D	30.1	Very low	28.5	Very low	125 Å²	125	157.6 Å²	157.6	67%	0.668	77%	0.773	S	S	*	*				70.6	133.5	67.2	-114.1	34.4	0	0	0	111.3
861	K	32.6	Very low	28.3	Very low	152 Å²	152	156.6 Å²	156.6	66%	0.661	77%	0.766	S	S	*	*			cis	-157.2	163.1	27.2	-96.8	172.6	174.9	-177.7	0	114.4
862	H	31.9	Very low	28.4	Very low	161 Å²	161	154.4 Å²	154.4	75%	0.745	76%	0.759	S	S	*	*			trans	41.3	153.1	147.1	-55	-44.8	0	0	0	122.9
863	S	29.8	Very low	28.3	Very low	92 Å²	92	148.8 Å²	148.8	64%	0.643	75%	0.747	S	S	*	*			cis	-173.4	156.3	-23.3	55.3	0	0	0	0	111
864	K	27.9	Very low	28.3	Very low	174 Å²	174	150.9 Å²	150.9	76%	0.757	75%	0.748	S	S	*	*			trans	37.1	141.1	135.4	-67.2	177.8	157.6	-124.7	0	120.1
865	Q	28.2	Very low	28.3	Very low	130 Å²	130	148.3 Å²	148.3	61%	0.607	74%	0.739	S	S	*	*			cis	-168.3	172.6	7.7	-128.4	172.5	-102.5	0	0	110.6
866	N	26.9	Very low	28.5	Very low	105 Å²	105	144.1 Å²	144.1	56%	0.561	73%	0.731	S	S	*	*			trans	68.8	142.3	151	-83.4	54.6	0	0	0	120.2
867	D	27.9	Very low	28.5	Very low	127 Å²	127	146.8 Å²	146.8	68%	0.679	73%	0.726	S	S	*	*			trans	53.1	144.2	139.4	-44.4	-20.6	0	0	0	119.8
868	L	26.8	Very low	28.4	Very low	146 Å²	146	139.5 Å²	139.5	76%	0.764	71%	0.711	S	S	*	*			cis	-148.5	-157.2	-16.4	-147.1	84.1	0	0	0	107.7	T870	L868-T870 PolarHBondContact O-N 2.98Å
869	E	24	Very low	28.3	Very low	180 Å²	180	139.1 Å²	139.1	84%	0.841	72%	0.716	S	S	*	*			trans	-69.3	120	176.4	-61.8	169.4	121.1	0	0	113
870	T	28.9	Very low	28.1	Very low	142 Å²	142	134.7 Å²	134.7	87%	0.871	71%	0.71	S	S	*	*			trans	-138	115.3	157.3	54.5	0	0	0	0	110.7	L868	L868-T870 PolarHBondContact O-N 2.98Å
871	C	23.2	Very low	27.9	Very low	106 Å²	106	137.2 Å²	137.2	72%	0.716	72%	0.717	S	S	*	*			trans	-95.8	-174.7	164.3	-157.4	0	0	0	0	109.7
872	H	28.8	Very low	27.7	Very low	156 Å²	156	136.9 Å²	136.9	72%	0.722	72%	0.723	S	S	*	*			trans	75.1	115.1	177.2	-55.2	-47.1	0	0	0	114.9
873	D	24.7	Very low	27.5	Very low	126 Å²	126	136.2 Å²	136.2	67%	0.674	72%	0.723	S	S	*	*				79.4	121.6	54.5	-66.9	-48.6	0	0	0	112.1
874	Q	29.5	Very low	27.3	Very low	175 Å²	175	136.7 Å²	136.7	82%	0.818	73%	0.727	S	S	*	*				173.9	151.3	118.7	-92.3	170	26.4	0	0	112.1
875	T	25.9	Very low	27.3	Very low	112 Å²	112	133.3 Å²	133.3	69%	0.687	73%	0.725	S	S	*	*			trans	33.2	112.3	147.8	62.4	0	0	0	0	118.2
876	Q	29.1	Very low	27.2	Very low	169 Å²	169	131.9 Å²	131.9	79%	0.79	73%	0.729	S	S	*	*				-177	-179.7	66.4	-99.3	155.6	50.7	0	0	108.1
877	I	31.3	Very low	27.2	Very low	131 Å²	131	134.4 Å²	134.4	67%	0.672	74%	0.735	S	S	*	*			cis	-146	117.6	0.1	-125.2	148	0	0	0	103.6
878	S	27.9	Very low	27.2	Very low	82 Å²	82	133.3 Å²	133.3	57%	0.573	73%	0.729	S	S	*	*				60.7	111	84.6	80.3	0	0	0	0	114.7
879	I	27.1	Very low	27.4	Very low	165 Å²	165	132.7 Å²	132.7	85%	0.846	73%	0.727	S	S	*	*				77.7	135.5	97.2	-70.5	167.4	0	0	0	112.6
880	A	27.4	Very low	27.6	Very low	73 Å²	73	131.6 Å²	131.6	60%	0.603	73%	0.726	S	S	*	*			cis	-170.3	-173.7	-19.7	0	0	0	0	0	109
881	E	26.5	Very low	27.7	Very low	178 Å²	178	130 Å²	130	83%	0.832	72%	0.72	S	S	*	*			trans	69.5	170.7	151.6	-74.7	158.6	172.3	0	0	119.6
882	D	28.8	Very low	28	Very low	144 Å²	144	129.4 Å²	129.4	77%	0.77	72%	0.718	S	S	*	*			trans	51.2	123.2	-177.3	-59.1	-23.6	0	0	0	118.9
883	I	25.8	Very low	27.9	Very low	147 Å²	147	129.1 Å²	129.1	75%	0.754	72%	0.721	S	S	*	*			cis	75.3	121.1	31.9	-51.8	-178.2	0	0	0	114.5
884	S	27	Very low	28.1	Very low	103 Å²	103	128.5 Å²	128.5	72%	0.72	72%	0.721	S	S	*	*			trans	75	162.2	166.6	82.3	0	0	0	0	118.5
885	S	26.9	Very low	27.9	Very low	103 Å²	103	125.1 Å²	125.1	72%	0.72	72%	0.717	S	S	*	*			trans	61	123.2	-172.5	68	0	0	0	0	114.9
886	S	26.9	Very low	27.9	Very low	100 Å²	100	125.6 Å²	125.6	70%	0.699	72%	0.72	S	S	*	*			cis	71.9	136.7	43.2	91.9	0	0	0	0	112.5
887	K	26.5	Very low	27.6	Very low	158 Å²	158	122.7 Å²	122.7	69%	0.687	72%	0.718	S	S	*	*			cis	-169.2	179.6	6.4	-135.5	167.9	143.5	-86.8	0	109.5
888	D	29	Very low	27.3	Very low	103 Å²	103	121.5 Å²	121.5	55%	0.551	72%	0.722	S	S	*	*			trans	50.8	128.3	153.1	-48.7	-32.5	0	0	0	118.3
889	N	29.5	Very low	27.1	Very low	134 Å²	134	126.1 Å²	126.1	72%	0.717	74%	0.737	S	S	*	*				-169.6	145.4	68.7	-91.5	-73.8	0	0	0	113.3
890	L	28.9	Very low	27	Very low	156 Å²	156	125.8 Å²	125.8	82%	0.817	74%	0.735	S	S	*	*			trans	53.2	138.7	154.7	-79.2	75.3	0	0	0	118.7
891	S	30.3	Very low	26.8	Very low	108 Å²	108	129.1 Å²	129.1	76%	0.755	74%	0.741	S	S	*	*			cis	-160.8	156.2	1.7	53.5	0	0	0	0	108.1
892	S	29.8	Very low	26.6	Very low	95 Å²	95	125.9 Å²	125.9	66%	0.664	74%	0.737	S	S	*	*			cis	-160.1	149.7	17.1	49.6	0	0	0	0	112.3
893	L	28.1	Very low	26.4	Very low	150 Å²	150	124 Å²	124	79%	0.785	73%	0.731	S	S	*	*			trans	61.7	100.1	144.9	-63.7	170.1	0	0	0	118.8
894	T	27.4	Very low	26.4	Very low	112 Å²	112	123.3 Å²	123.3	69%	0.687	73%	0.729	S	S	*	*				81.8	111.1	83.5	54.7	0	0	0	0	114.6
895	S	25	Very low	26.4	Very low	105 Å²	105	126.6 Å²	126.6	73%	0.734	73%	0.733	S	S	*	*				79.7	154.5	101.7	85.9	0	0	0	0	113.7
896	T	26.5	Very low	26.4	Very low	122 Å²	122	127 Å²	127	75%	0.748	73%	0.732	S	S	*	*			cis	-156.1	139.9	6.2	-9.2	0	0	0	0	106.5
897	S	23.3	Very low	26.6	Very low	107 Å²	107	129.1 Å²	129.1	75%	0.748	73%	0.734	S	S	*	*				57.8	153.3	97	-153.4	0	0	0	0	118.6
898	S	25.1	Very low	26.7	Very low	106 Å²	106	127.1 Å²	127.1	74%	0.741	73%	0.734	S	S	*	*			trans	64.8	134.7	-176.4	19.6	0	0	0	0	115.5
899	M	22.3	Very low	26.6	Very low	180 Å²	180	128 Å²	128	89%	0.887	74%	0.744	S	S	*	*			cis	86.2	151.8	42.7	-83	-162.3	164.9	0	0	114.6
900	I	26.4	Very low	26.6	Very low	157 Å²	157	125.9 Å²	125.9	81%	0.805	75%	0.745	S	S	*	*			trans	72.4	135.9	-179.2	-53.8	173.6	0	0	0	111.6
901	L	23	Very low	26.5	Very low	143 Å²	143	127.4 Å²	127.4	75%	0.749	75%	0.748	S	S	*	*			cis	160.5	141.5	-22	-105.5	162.7	0	0	0	103.5
902	C	22.9	Very low	26.5	Very low	110 Å²	110	126.2 Å²	126.2	74%	0.743	74%	0.744	S	S	*	*			trans	63.7	159.2	156.7	-64.4	0	0	0	0	118.1
903	T	24.7	Very low	26.3	Very low	105 Å²	105	127.8 Å²	127.8	64%	0.644	75%	0.75	S	S	*	*			cis	-159.1	150.9	-26.1	18.3	0	0	0	0	108.9
904	D	25.2	Very low	26.4	Very low	133 Å²	133	128.1 Å²	128.1	71%	0.711	75%	0.751	S	S	*	*			trans	60.7	150.7	140.3	-54.2	-25.9	0	0	0	124.1
905	E	27.4	Very low	26.4	Very low	172 Å²	172	128.5 Å²	128.5	80%	0.804	75%	0.754	S	S	*	*			trans	66.9	144.1	146.5	-76.7	172.3	-164.4	0	0	122.4
906	T	26.8	Very low	26.6	Very low	112 Å²	112	128.1 Å²	128.1	69%	0.687	75%	0.751	S	S	*	*			cis	-166.4	-144.6	-29.6	26.6	0	0	0	0	106.3
907	I	29.8	Very low	26.6	Very low	144 Å²	144	126.7 Å²	126.7	74%	0.738	75%	0.746	S	S	*	*			trans	79.2	81.5	156.3	-59.5	176.5	0	0	0	114.4
908	T	28.4	Very low	26.8	Very low	115 Å²	115	128.2 Å²	128.2	71%	0.706	75%	0.745	S	S	*	*				85	150.2	91.2	61.4	0	0	0	0	114
909	T	27.4	Very low	27	Very low	122 Å²	122	129.8 Å²	129.8	75%	0.748	75%	0.746	S	S	*	*			cis	-169.2	170.3	-4.9	21	0	0	0	0	109.8
910	A	30.9	Very low	27.2	Very low	89 Å²	89	126.8 Å²	126.8	74%	0.736	74%	0.738	S	S	*	*			trans	72.3	160.5	146.8	0	0	0	0	0	120.2
911	E	25.7	Very low	27.3	Very low	188 Å²	188	126.1 Å²	126.1	88%	0.879	74%	0.741	S	S	*	*			cis	-168.7	-178.3	-47	-126.3	171.5	-162.2	0	0	111.1
912	A	30.1	Very low	27.4	Very low	83 Å²	83	125.7 Å²	125.7	69%	0.686	75%	0.745	S	S	*	*			trans	65.7	133.3	173.2	0	0	0	0	0	117.3
913	T	25.6	Very low	27.7	Very low	129 Å²	129	124 Å²	124	79%	0.791	74%	0.739	S	S	*	*			cis	81.1	111	19	81.2	0	0	0	0	118
914	I	30.5	Very low	27.8	Very low	156 Å²	156	124.1 Å²	124.1	80%	0.8	74%	0.739	S	S	*	*			trans	-168.9	116.8	153.3	-98.1	147.9	0	0	0	104.6
915	T	28.5	Very low	27.9	Very low	121 Å²	121	119.8 Å²	119.8	74%	0.742	72%	0.718	S	S	*	*				63.5	138.7	70.6	62.6	0	0	0	0	113.4
916	S	27.7	Very low	28	Very low	97 Å²	97	116.3 Å²	116.3	68%	0.678	70%	0.704	S	S	*	*			cis	-165.3	177	1.5	45.9	0	0	0	0	111.9
917	S	28	Very low	28	Very low	91 Å²	91	116.6 Å²	116.6	64%	0.636	71%	0.706	S	S	*	*			trans	67.6	156.2	139.6	52.9	0	0	0	0	121.6
918	N	27	Very low	27.9	Very low	139 Å²	139	115.7 Å²	115.7	74%	0.743	71%	0.708	S	S	*	*			cis	-174.7	169	-30.6	-99.8	-12.2	0	0	0	109.5
919	N	29.6	Very low	27.9	Very low	139 Å²	139	115.7 Å²	115.7	74%	0.743	71%	0.708	S	S	*	*			trans	68.8	134.4	159.6	-58.9	-10.4	0	0	0	117.2
920	T	25.6	Very low	28	Very low	118 Å²	118	116.4 Å²	116.4	72%	0.724	71%	0.712	S	S	*	*			cis	93.3	103.3	24.4	69.6	0	0	0	0	115.7
921	T	27.8	Very low	27.8	Very low	143 Å²	143	115.2 Å²	115.2	88%	0.877	71%	0.708	S	S	*	*			trans	-159.3	174.7	151.3	5.6	0	0	0	0	114.1
922	T	26.4	Very low	27.9	Very low	134 Å²	134	113.1 Å²	113.1	82%	0.822	71%	0.708	S	S	*	*			trans	-162.3	165.4	-153.6	41.7	0	0	0	0	111.8
923	A	28.4	Very low	27.7	Very low	75 Å²	75	113.9 Å²	113.9	62%	0.62	71%	0.708	S	S	*	*			cis	178.3	137.9	-19.6	0	0	0	0	0	110.5
924	T	27.2	Very low	27.8	Very low	106 Å²	106	111.7 Å²	111.7	65%	0.65	70%	0.703	S	S	*	*			trans	64.3	155.7	153.3	60.5	0	0	0	0	121.8
925	V	27.6	Very low	27.6	Very low	43 Å²	43	110.1 Å²	110.1	26%	0.261	70%	0.701	S	S	.	*			trans	151.8	-177.3	137.7	167.5	0	0	0	0	109.3	D1229 T1230 I1231	V925-D1229 VanDerWaalsContact O-OD2 3.07Å; V925-T1230 VanDerWaalsContact C-N 3.27Å; V925-T1230 WeakPolarHBondContact O-CA 3.38Å; V925-T1230 PolarHBondContact O-N 3.44Å; V925-I1231 VanDerWaalsContact CG1-O 3.24Å; V925-I1231 WeakPolarHBondContact CG1-O 3.2Å
926	N	28.1	Very low	27.5	Very low	98 Å²	98	109.9 Å²	109.9	52%	0.524	70%	0.7	S	S	.	*			trans	-152.6	159.5	-146.5	-1.5	-111.3	0	0	0	117.2
927	T	28.4	Very low	27.5	Very low	119 Å²	119	114.3 Å²	114.3	73%	0.73	71%	0.707	S	S	*	*			trans	75.3	160.1	137.2	57.4	0	0	0	0	123.6
928	T	27.5	Very low	27.4	Very low	124 Å²	124	115.4 Å²	115.4	76%	0.761	71%	0.709	S	S	*	*			trans	92.2	147.5	159.7	75.7	0	0	0	0	116.5
929	T	28	Very low	27.3	Very low	116 Å²	116	116 Å²	116	71%	0.712	71%	0.711	S	S	*	*			cis	-156	168.9	6.5	-16.7	0	0	0	0	113.3
930	T	28.7	Very low	27.3	Very low	137 Å²	137	114 Å²	114	84%	0.84	71%	0.713	S	S	*	*			trans	62.9	148	155.5	47	0	0	0	0	120.4
931	G	27.8	Very low	27.4	Very low	63 Å²	63	113.7 Å²	113.7	65%	0.649	72%	0.717	S	S	*	*			cis	153.6	158	-11.1	0	0	0	0	0	114.7
932	V	27.4	Very low	27.6	Very low	145 Å²	145	111.7 Å²	111.7	88%	0.879	71%	0.706	S	S	*	*			trans	72.1	153.7	165	-172.6	0	0	0	0	116.3
933	S	25.5	Very low	27.6	Very low	99 Å²	99	112.5 Å²	112.5	69%	0.692	71%	0.705	S	S	*	*				-167.6	178.5	-51.4	74.1	0	0	0	0	109.9
934	A	27.2	Very low	27.5	Very low	83 Å²	83	112.8 Å²	112.8	69%	0.686	70%	0.702	S	S	*	*			trans	72.2	156.4	154.8	0	0	0	0	0	118.3
935	T	27.9	Very low	27.5	Very low	122 Å²	122	118 Å²	118	75%	0.748	71%	0.712	S	S	*	*			cis	-163.4	133.3	-15.1	21.1	0	0	0	0	112.6
936	T	26.1	Very low	27.3	Very low	117 Å²	117	122.9 Å²	122.9	72%	0.718	74%	0.737	S	S	*	*			trans	47.8	154.7	135.5	-10.4	0	0	0	0	124.8
937	K	27	Very low	27.4	Very low	189 Å²	189	124.6 Å²	124.6	82%	0.822	75%	0.751	S	S	*	*			trans	91.8	147.6	149.3	-73.5	177.3	179.3	178.9	0	119.8
938	V	25.7	Very low	27.3	Very low	115 Å²	115	124.4 Å²	124.4	70%	0.697	75%	0.75	S	S	*	*			cis	-171.4	160.1	-26.5	87.9	0	0	0	0	113.8
939	I	26.1	Very low	27.4	Very low	151 Å²	151	124.8 Å²	124.8	77%	0.774	75%	0.752	S	S	*	*			trans	52.2	123.7	156.1	-61	162.4	0	0	0	121
940	A	28.8	Very low	27.3	Very low	96 Å²	96	126.2 Å²	126.2	79%	0.793	76%	0.755	S	S	*	*				-169.9	144.2	121.9	0	0	0	0	0	112.7
941	S	27.4	Very low	27.3	Very low	113 Å²	113	128.8 Å²	128.8	79%	0.79	76%	0.755	S	S	*	*			trans	-122.6	-164.2	177.5	-50.8	0	0	0	0	108.3
942	P	32.6	Very low	27.3	Very low	101 Å²	101	131.7 Å²	131.7	66%	0.656	76%	0.755	S	S	*	*			cis	-146.6	-174.6	3	45.3	-25.5	0	0	0	117.7
943	N	27	Very low	27.2	Very low	150 Å²	150	129.7 Å²	129.7	80%	0.802	75%	0.747	S	S	*	*			trans	66.9	153.8	146.9	-69.7	-7.9	0	0	0	120.7
944	S	26	Very low	27.5	Very low	81 Å²	81	131.3 Å²	131.3	57%	0.566	75%	0.747	S	S	*	*			cis	-168.6	176.4	-16.7	49.2	0	0	0	0	111.9
945	Y	26.8	Very low	27.5	Very low	216 Å²	216	135.3 Å²	135.3	85%	0.847	75%	0.751	S	S	*	*			trans	95.7	97.8	163.9	-62.9	-68.6	0	0	0	121.4
946	N	23.8	Very low	27.7	Very low	146 Å²	146	133.9 Å²	133.9	78%	0.781	74%	0.739	S	S	*	*			trans	-45.7	153.6	159	-41	-31.3	0	0	0	115.5
947	T	29.9	Very low	28.3	Very low	133 Å²	133	131.9 Å²	131.9	82%	0.816	73%	0.727	S	S	*	*				-167.3	94.3	128.5	12.2	0	0	0	0	114.2
948	T	25.7	Very low	28.8	Very low	116 Å²	116	126.8 Å²	126.8	71%	0.712	71%	0.706	S	S	*	*			trans	37.6	94.4	134.6	56.5	0	0	0	0	120.6
949	T	29.5	Very low	29.2	Very low	131 Å²	131	127 Å²	127	80%	0.804	70%	0.703	S	S	*	*				-173.6	134.5	119.3	19.5	0	0	0	0	108.7	K951	T949-K951 PolarHBondContact O-N 3.03Å
950	D	27.1	Very low	29.9	Very low	146 Å²	146	124.4 Å²	124.4	78%	0.781	69%	0.686	S	S	*	*			trans	-74.2	90.3	-149.7	-67.6	-27.6	0	0	0	116.3	N952	D950-N952 PolarHBondContact O-N 2.9Å
951	K	27.3	Very low	30.3	Very low	192 Å²	192	121.9 Å²	121.9	84%	0.835	66%	0.656	S	S	*	*			trans	-74.5	70.3	156.4	-64.9	175.7	-177.9	169.5	0	110.1	T949 S953	T949-K951 PolarHBondContact O-N 3.03Å; K951-S953 PolarHBondContact O-N 3.23Å
952	N	27.8	Very low	30.9	Very low	124 Å²	124	121.6 Å²	121.6	66%	0.663	64%	0.64	S	S	*	*			trans	-74.9	60.3	171.8	-80.2	-30.3	0	0	0	111.5	D950 I954	D950-N952 PolarHBondContact O-N 2.9Å; N952-I954 PolarHBondContact O-N 2.97Å
953	S	25.9	Very low	31.1	Very low	102 Å²	102	121.3 Å²	121.3	71%	0.713	63%	0.633	S	S	*	*			trans	-75.4	68.9	173	54.8	0	0	0	0	110.4	K951 E955	K951-S953 PolarHBondContact O-N 3.23Å; S953-E955 PolarHBondContact O-N 3.39Å
954	I	32.8	Very low	31.6	Very low	134 Å²	134	116.5 Å²	116.5	69%	0.687	61%	0.607	S	S	*	*			trans	-68.5	114.6	-176.2	-64	174.5	0	0	0	109.8	N952 L956	N952-I954 PolarHBondContact O-N 2.97Å; I954-L956 PolarHBondContact O-N 2.87Å
955	E	27.3	Very low	32	Very low	166 Å²	166	114 Å²	114	78%	0.776	59%	0.587	S	S	*	*			trans	-62.4	126.9	-170.1	-62.6	175.6	118.7	0	0	112.8	S953 T957	S953-E955 PolarHBondContact O-N 3.39Å; E955-T957 PolarHBondContact O-N 3.35Å
956	L	30.3	Very low	32.4	Very low	92 Å²	92	109.2 Å²	109.2	48%	0.482	57%	0.573	S	S	.	*			trans	-82.9	86.7	174.9	-66.1	141.4	0	0	0	107.5	I954 R961 W1203	I954-L956 PolarHBondContact O-N 2.87Å; L956-R961 VanDerWaalsContact O-CD 3.29Å; L956-R961 WeakPolarHBondContact O-CD 3.25Å; L956-R961 WeakPolarHBondContact O-CG 3.43Å; L956-W1203 HydrophobicContact CB-CH2 4.17Å; L956-W1203 HydrophobicContact CB-CZ3 4.35Å; L956-W1203 HydrophobicContact CD2-CH2 3.57Å; L956-W1203 HydrophobicContact CD2-CZ2 4.08Å; L956-W1203 HydrophobicContact CG-CH2 4.31Å
957	T	39.9	Very low	33	Very low	75 Å²	75	104.3 Å²	104.3	46%	0.46	55%	0.546	S	S	.	.			trans	-41.9	152	-176.5	58.1	0	0	0	0	113.9	E955 N959 K960 R961	E955-T957 PolarHBondContact O-N 3.35Å; T957-N959 CarbonylContact O-C 3.6Å; T957-N959 PolarHBondContact O-N 2.93Å; T957-K960 WeakPolarHBondContact O-CA 3.38Å; T957-K960 WeakPolarHBondContact O-CB 3.5Å; T957-K960 PolarHBondContact O-N 3.46Å; T957-R961 PolarHBondContact O-N 2.82Å
958	E	36.2	Very low	33.3	Very low	82 Å²	82	98.3 Å²	98.3	38%	0.383	51%	0.509	S	S	.	.	H	α-helix	trans	-51.2	-28.1	-179.2	-163.8	55.3	-148.9	0	0	113.4	K962 Y1207	E958-K962 HydrophobicContact CG-CD 4.38Å; E958-K962 WeakPolarHBondContact O-CB 3.44Å; E958-K962 VanDerWaalsContact O-CG 3.29Å; E958-K962 WeakPolarHBondContact O-CG 3.32Å; E958-K962 PolarHBondContact O-N 3.42Å; E958-K962 IonicContact OE1-NZ 3.27Å; E958-Y1207 PolarHBondContact OE1-OH 3.21Å
959	N	35.6	Very low	33.6	Very low	120 Å²	120	95.5 Å²	95.5	64%	0.642	49%	0.494	S	S	*	.	H	α-helix	trans	-80.2	-36.3	174.3	-67.7	-11.8	0	0	0	113.8	T957 R961 K962 L963	T957-N959 CarbonylContact O-C 3.6Å; T957-N959 PolarHBondContact O-N 2.93Å; N959-R961 VanDerWaalsContact C-N 3.31Å; N959-K962 PolarHBondContact O-N 3.43Å; N959-L963 VanDerWaalsContact O-CB 3.28Å; N959-L963 WeakPolarHBondContact O-CB 3.47Å; N959-L963 PolarHBondContact O-N 2.92Å
960	K	39.9	Very low	33.7	Very low	97 Å²	97	91 Å²	91	42%	0.422	46%	0.464	S	S	.	.	H	α-helix	trans	-63.8	-41	168.1	-71.9	173.4	-178.6	174.6	0	110.2	T957 L963 L964 W1203	T957-K960 WeakPolarHBondContact O-CA 3.38Å; T957-K960 WeakPolarHBondContact O-CB 3.5Å; T957-K960 PolarHBondContact O-N 3.46Å; K960-L963 PolarHBondContact O-N 3.23Å; K960-L964 PolarHBondContact O-N 2.75Å; K960-L964 VanDerWaalsContact O-N 3.13Å; K960-W1203 HydrophobicContact CB-CH2 4.33Å; K960-W1203 WeakPolarHBondContact O-CZ3 3.48Å
961	R	37.5	Very low	33.9	Very low	42 Å²	42	85.9 Å²	85.9	16%	0.158	44%	0.437	C	S	.	.	H	α-helix	trans	-58.5	-56.1	170.3	-79.3	177	154.2	-155.3	-8.6	110.9	L956 T957 N959 L963 L964 L965 W1203 A1206 Y1207 S1210	L956-R961 VanDerWaalsContact O-CD 3.29Å; L956-R961 WeakPolarHBondContact O-CD 3.25Å; L956-R961 WeakPolarHBondContact O-CG 3.43Å; T957-R961 PolarHBondContact O-N 2.82Å; N959-R961 VanDerWaalsContact C-N 3.31Å; R961-L963 VanDerWaalsContact C-N 3.33Å; R961-L963 PolarHBondContact O-N 3.42Å; R961-L964 PolarHBondContact O-N 2.84Å; R961-L965 WeakPolarHBondContact O-CA 3.37Å; R961-L965 WeakPolarHBondContact O-CB 3.26Å; R961-L965 WeakPolarHBondContact O-CG 3.43Å; R961-L965 PolarHBondContact O-N 2.79Å; R961-W1203 HydrophobicContact CB-CZ3 4.27Å; R961-W1203 HydrophobicContact CG-CE3 4.12Å; R961-W1203 HydrophobicContact CG-CZ3 3.67Å; R961-A1206 PolarHBondContact NH2-O 3Å; R961-Y1207 HydrophobicContact CB-CD2 4.11Å; R961-Y1207 HydrophobicContact CB-CE2 4.03Å; R961-Y1207 HydrophobicContact CG-CD2 3.99Å; R961-Y1207 HydrophobicContact CG-CE2 4.22Å; R961-S1210 PolarHBondContact NH1-OG 2.92Å; R961-S1210 PolarHBondContact NH2-OG 3.46Å
962	K	39.1	Very low	34	Very low	107 Å²	107	80.5 Å²	80.5	47%	0.465	41%	0.413	S	S	.	.	H	α-helix	trans	-59.7	-33.9	176	-77.1	166.7	-176.2	166.6	0	114.6	E958 N959 L965 Q966	E958-K962 HydrophobicContact CG-CD 4.38Å; E958-K962 WeakPolarHBondContact O-CB 3.44Å; E958-K962 VanDerWaalsContact O-CG 3.29Å; E958-K962 WeakPolarHBondContact O-CG 3.32Å; E958-K962 PolarHBondContact O-N 3.42Å; E958-K962 IonicContact OE1-NZ 3.27Å; N959-K962 PolarHBondContact O-N 3.43Å; K962-L965 CarbonylContact O-C 3.57Å; K962-Q966 WeakPolarHBondContact O-CB 3.45Å; K962-Q966 VanDerWaalsContact O-CG 3.31Å; K962-Q966 WeakPolarHBondContact O-CG 3.44Å; K962-Q966 PolarHBondContact O-N 3.06Å
963	L	37.6	Very low	34.1	Very low	96 Å²	96	76.6 Å²	76.6	50%	0.503	40%	0.398	S	S	.	.	H	α-helix	trans	-66	-47.4	177.6	-170.4	75.3	0	0	0	111.3	N959 K960 R961 Q966 I967	N959-L963 VanDerWaalsContact O-CB 3.28Å; N959-L963 WeakPolarHBondContact O-CB 3.47Å; N959-L963 PolarHBondContact O-N 2.92Å; K960-L963 PolarHBondContact O-N 3.23Å; R961-L963 VanDerWaalsContact C-N 3.33Å; R961-L963 PolarHBondContact O-N 3.42Å; L963-Q966 CarbonylContact O-C 3.53Å; L963-Q966 WeakPolarHBondContact O-CA 3.42Å; L963-Q966 WeakPolarHBondContact O-CB 3.35Å; L963-Q966 PolarHBondContact O-N 3.36Å; L963-I967 HydrophobicContact CG-CD1 4.17Å; L963-I967 WeakPolarHBondContact O-CG1 3.08Å; L963-I967 PolarHBondContact O-N 3.02Å
964	L	36.9	Very low	34.3	Very low	48 Å²	48	76 Å²	76	25%	0.251	38%	0.383	S	S	.	.	H	α-helix	trans	-85.2	-18.9	179.6	-73.6	140.1	0	0	0	112.7	K960 R961 Q966 I967 H968 A1199 Q1200 W1203	K960-L964 PolarHBondContact O-N 2.75Å; K960-L964 VanDerWaalsContact O-N 3.13Å; R961-L964 PolarHBondContact O-N 2.84Å; L964-Q966 PolarHBondContact O-N 3.19Å; L964-I967 HydrophobicContact CD2-CB 4.17Å; L964-I967 HydrophobicContact CD2-CD1 4Å; L964-I967 HydrophobicContact CD2-CG2 4.26Å; L964-I967 HydrophobicContact CG-CD1 4.19Å; L964-I967 CarbonylContact O-C 3.58Å; L964-I967 PolarHBondContact O-N 3.15Å; L964-H968 PolarHBondContact O-N 3.11Å; L964-A1199 HydrophobicContact CB-CB 4.14Å; L964-A1199 HydrophobicContact CD2-CB 3.76Å; L964-A1199 VanDerWaalsContact O-CB 3.24Å; L964-A1199 WeakPolarHBondContact O-CB 3.5Å; L964-Q1200 PolarHBondContact O-N 3.24Å; L964-Q1200 VanDerWaalsContact O-N 3.13Å; L964-W1203 HydrophobicContact CB-CB 4.2Å; L964-W1203 HydrophobicContact CB-CD2 3.29Å; L964-W1203 HydrophobicContact CB-CE3 3.7Å; L964-W1203 HydrophobicContact CB-CG 3.53Å; L964-W1203 HydrophobicContact CB-CH2 4.31Å; L964-W1203 HydrophobicContact CB-CZ2 4.05Å; L964-W1203 HydrophobicContact CB-CZ3 4.18Å; L964-W1203 HydrophobicContact CD1-CD2 4.25Å; L964-W1203 HydrophobicContact CD1-CH2 3.7Å; L964-W1203 HydrophobicContact CD1-CZ2 3.28Å; L964-W1203 HydrophobicContact CD1-CZ3 4.38Å; L964-W1203 HydrophobicContact CG-CD2 4.26Å; L964-W1203 HydrophobicContact CG-CZ2 4.17Å
965	L	35.5	Very low	34.1	Very low	30 Å²	30	75 Å²	75	16%	0.157	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	13.9	155.2	-60.5	-179.5	0	0	0	113.4	R961 K962 Q1200 W1203 Q1204 Y1207	R961-L965 WeakPolarHBondContact O-CA 3.37Å; R961-L965 WeakPolarHBondContact O-CB 3.26Å; R961-L965 WeakPolarHBondContact O-CG 3.43Å; R961-L965 PolarHBondContact O-N 2.79Å; K962-L965 CarbonylContact O-C 3.57Å; L965-Q1200 HydrophobicContact CB-CG 4.36Å; L965-Q1200 HydrophobicContact CD2-CB 3.6Å; L965-Q1200 HydrophobicContact CD2-CG 4.14Å; L965-Q1200 PolarHBondContact O-NE2 3.08Å; L965-Q1200 PolarHBondContact O-OE1 2.93Å; L965-W1203 HydrophobicContact CD2-CB 4.26Å; L965-W1203 WeakPolarHBondContact CD2-O 3.22Å; L965-Q1204 HydrophobicContact CD2-CB 3.59Å; L965-Q1204 HydrophobicContact CD2-CG 3.8Å; L965-Y1207 HydrophobicContact CD1-CD2 3.71Å; L965-Y1207 HydrophobicContact CD1-CE2 3.97Å; L965-Y1207 HydrophobicContact CD1-CG 4.22Å
966	Q	35.4	Very low	34.1	Very low	114 Å²	114	76.9 Å²	76.9	53%	0.533	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-22.8	157.6	-77.3	176.8	18.2	0	0	110.9	K962 L963 L964 H968 S969	K962-Q966 WeakPolarHBondContact O-CB 3.45Å; K962-Q966 VanDerWaalsContact O-CG 3.31Å; K962-Q966 WeakPolarHBondContact O-CG 3.44Å; K962-Q966 PolarHBondContact O-N 3.06Å; L963-Q966 CarbonylContact O-C 3.53Å; L963-Q966 WeakPolarHBondContact O-CA 3.42Å; L963-Q966 WeakPolarHBondContact O-CB 3.35Å; L963-Q966 PolarHBondContact O-N 3.36Å; L964-Q966 PolarHBondContact O-N 3.19Å; Q966-H968 PolarHBondContact O-N 3.28Å; Q966-S969 PolarHBondContact O-N 3.25Å
967	I	36.7	Very low	34.1	Very low	43 Å²	43	81.2 Å²	81.2	22%	0.221	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	10	171.3	-59.1	158.8	0	0	0	111.9	L963 L964 M1196 E1197 D1198 A1199	L963-I967 HydrophobicContact CG-CD1 4.17Å; L963-I967 WeakPolarHBondContact O-CG1 3.08Å; L963-I967 PolarHBondContact O-N 3.02Å; L964-I967 HydrophobicContact CD2-CB 4.17Å; L964-I967 HydrophobicContact CD2-CD1 4Å; L964-I967 HydrophobicContact CD2-CG2 4.26Å; L964-I967 HydrophobicContact CG-CD1 4.19Å; L964-I967 CarbonylContact O-C 3.58Å; L964-I967 PolarHBondContact O-N 3.15Å; I967-M1196 CarbonylContact C-O 3.57Å; I967-M1196 VanDerWaalsContact CA-CB 3.46Å; I967-M1196 HydrophobicContact CB-CB 4.01Å; I967-M1196 HydrophobicContact CG1-CB 4.13Å; I967-M1196 HydrophobicContact CG1-CE 3.99Å; I967-M1196 HydrophobicContact CG1-SD 4.27Å; I967-M1196 HydrophobicContact CG2-CB 3.96Å; I967-M1196 CarbonylContact O-C 3.23Å; I967-M1196 WeakPolarHBondContact O-CA 3.38Å; I967-M1196 VanDerWaalsContact O-O 3.09Å; I967-E1197 PolarHBondContact O-N 3.15Å; I967-D1198 PolarHBondContact O-N 2.91Å; I967-A1199 HydrophobicContact CB-CB 3.83Å; I967-A1199 HydrophobicContact CG2-CB 3.74Å; I967-A1199 WeakPolarHBondContact O-CB 3.43Å; I967-A1199 PolarHBondContact O-N 2.92Å
968	H	34.5	Very low	33.5	Very low	8 Å²	8	85.9 Å²	85.9	4%	0.037	40%	0.4	C	S	.	.	B	Isolated β-bridge	trans	-132.1	39.6	152.7	-157.6	144	0	0	0	120	L964 Q966 M1196 E1197 D1198 A1199 Q1200 R1201	L964-H968 PolarHBondContact O-N 3.11Å; Q966-H968 PolarHBondContact O-N 3.28Å; H968-M1196 CarbonylContact C-O 3.53Å; H968-M1196 VanDerWaalsContact CA-C 3.47Å; H968-M1196 WeakPolarHBondContact CA-O 3.16Å; H968-M1196 PolarHBondContact N-O 3.19Å; H968-E1197 VanDerWaalsContact C-CA 3.49Å; H968-E1197 HydrophobicContact CB-CB 4.49Å; H968-E1197 VanDerWaalsContact CD2-CA 3.49Å; H968-E1197 WeakPolarHBondContact CD2-CA 3.42Å; H968-E1197 PolarHBondContact CD2-O 3.32Å; H968-E1197 VanDerWaalsContact CD2-O 3.26Å; H968-E1197 PolarHBondContact CE1-O 3.17Å; H968-E1197 VanDerWaalsContact ND1-C 3.27Å; H968-E1197 PolarHBondContact ND1-O 3.24Å; H968-E1197 PolarHBondContact NE2-O 3.4Å; H968-E1197 VanDerWaalsContact NE2-O 3.13Å; H968-E1197 WeakPolarHBondContact O-CG 3.46Å; H968-D1198 WeakPolarHBondContact CE1-CA 3.34Å; H968-D1198 IonicContact CE1-OD1 3.69Å; H968-D1198 PolarHBondContact CE1-OD1 3.1Å; H968-D1198 WeakPolarHBondContact ND1-CA 3.15Å; H968-D1198 PolarHBondContact ND1-N 3.18Å; H968-D1198 VanDerWaalsContact ND1-N 3.18Å; H968-A1199 HydrophobicContact CB-CB 4.39Å; H968-A1199 PolarHBondContact ND1-N 2.88Å; H968-A1199 PolarHBondContact ND1-O 3.12Å; H968-Q1200 VanDerWaalsContact C-OE1 3.29Å; H968-Q1200 HydrophobicContact CB-CB 3.52Å; H968-Q1200 HydrophobicContact CB-CG 3.26Å; H968-Q1200 VanDerWaalsContact N-CG 3.34Å; H968-Q1200 WeakPolarHBondContact O-CG 3.4Å; H968-Q1200 PolarHBondContact O-OE1 2.69Å; H968-R1201 WeakPolarHBondContact CE1-CB 3.39Å; H968-R1201 WeakPolarHBondContact CE1-CG 3.27Å; H968-R1201 PolarHBondContact CE1-N 3.41Å; H968-R1201 PolarHBondContact CE1-NE 3.34Å; H968-R1201 PolarHBondContact ND1-N 3.36Å; H968-R1201 VanDerWaalsContact NE2-CG 3.31Å; H968-R1201 WeakPolarHBondContact NE2-CG 3.45Å; H968-R1201 PolarHBondContact NE2-NE 3.12Å
969	S	31.7	Very low	33.3	Very low	57 Å²	57	87.9 Å²	87.9	40%	0.399	41%	0.405	S	S	.	.	S	Bend	trans	-110.3	19.7	162.4	31.5	0	0	0	0	114.6	Q966 K1193 M1196 E1197 Q1200	Q966-S969 PolarHBondContact O-N 3.25Å; S969-K1193 PolarHBondContact O-NZ 3.09Å; S969-M1196 CarbonylContact C-O 3.55Å; S969-M1196 PolarHBondContact N-O 3.25Å; S969-E1197 VanDerWaalsContact C-CD 3.44Å; S969-E1197 VanDerWaalsContact CA-CG 3.47Å; S969-Q1200 PolarHBondContact OG-OE1 2.74Å; S969-Q1200 VanDerWaalsContact OG-OE1 3.08Å
970	I	33.4	Very low	33	Very low	35 Å²	35	88.2 Å²	88.2	18%	0.179	41%	0.406	C	S	.	.	S	Bend	trans	-122.6	-69.5	-169.5	-72.4	174.3	0	0	0	121.2	A1192 K1193 M1196 E1197	I970-A1192 WeakPolarHBondContact CG2-O 3.28Å; I970-K1193 CarbonylContact C-O 3.48Å; I970-K1193 HydrophobicContact CB-CD 4.21Å; I970-K1193 HydrophobicContact CB-CG 4.39Å; I970-K1193 HydrophobicContact CG1-CD 4.1Å; I970-K1193 HydrophobicContact CG1-CG 4.05Å; I970-K1193 HydrophobicContact CG2-CB 4.04Å; I970-K1193 HydrophobicContact CG2-CD 3.97Å; I970-K1193 HydrophobicContact CG2-CG 3.88Å; I970-K1193 WeakPolarHBondContact CG2-O 3.31Å; I970-K1193 WeakPolarHBondContact O-CD 3.37Å; I970-K1193 PolarHBondContact O-NZ 2.91Å; I970-K1193 VanDerWaalsContact O-NZ 3.16Å; I970-M1196 WeakPolarHBondContact CA-O 3.49Å; I970-M1196 HydrophobicContact CB-CB 3.72Å; I970-M1196 HydrophobicContact CB-CG 3.89Å; I970-M1196 WeakPolarHBondContact CB-O 3.49Å; I970-M1196 HydrophobicContact CD1-CB 4.05Å; I970-M1196 HydrophobicContact CD1-CE 3.8Å; I970-M1196 HydrophobicContact CD1-CG 3.68Å; I970-M1196 HydrophobicContact CD1-SD 4.38Å; I970-M1196 HydrophobicContact CG1-CB 4.39Å; I970-M1196 HydrophobicContact CG1-CG 4.36Å; I970-M1196 HydrophobicContact CG2-CB 3.93Å; I970-M1196 HydrophobicContact CG2-CG 3.64Å; I970-M1196 VanDerWaalsContact N-C 3.28Å; I970-M1196 PolarHBondContact N-O 2.92Å; I970-E1197 VanDerWaalsContact C-CB 3.46Å; I970-E1197 WeakPolarHBondContact CA-OE2 3.35Å; I970-E1197 VanDerWaalsContact N-CB 3.28Å; I970-E1197 PolarHBondContact N-OE2 2.9Å
971	L	30.7	Very low	32.5	Very low	39 Å²	39	88.4 Å²	88.4	20%	0.204	42%	0.419	C	S	.	.	S	Bend	trans	-42.2	-71.5	163.9	-96.3	149.9	0	0	0	123.1	A973 F974 E975 S1194 E1197 D1198	L971-A973 CarbonylContact O-C 3.57Å; L971-A973 PolarHBondContact O-N 2.73Å; L971-F974 CarbonylContact O-C 2.93Å; L971-F974 VanDerWaalsContact O-C 3.23Å; L971-F974 WeakPolarHBondContact O-CA 3.39Å; L971-F974 WeakPolarHBondContact O-CB 3.26Å; L971-F974 PolarHBondContact O-N 2.8Å; L971-E975 PolarHBondContact O-N 2.84Å; L971-S1194 VanDerWaalsContact CD1-O 3.31Å; L971-S1194 WeakPolarHBondContact CD1-O 3.45Å; L971-S1194 WeakPolarHBondContact CD2-O 3.31Å; L971-S1194 WeakPolarHBondContact CG-O 3.49Å; L971-E1197 VanDerWaalsContact C-CB 3.48Å; L971-E1197 VanDerWaalsContact CA-CB 3.45Å; L971-E1197 VanDerWaalsContact CB-C 3.4Å; L971-E1197 HydrophobicContact CB-CB 3.71Å; L971-E1197 WeakPolarHBondContact CB-O 3.41Å; L971-E1197 VanDerWaalsContact N-CA 3.3Å; L971-D1198 WeakPolarHBondContact CB-OD2 3.42Å; L971-D1198 HydrophobicContact CD1-CB 3.83Å; L971-D1198 VanDerWaalsContact CD1-OD2 3.3Å; L971-D1198 WeakPolarHBondContact CD1-OD2 3.2Å
972	K	29.8	Very low	32.1	Very low	80 Å²	80	92.2 Å²	92.2	35%	0.348	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-38.1	-27	170.9	172.5	-164.5	-176.3	-178.9	0	115.3	E975 E1197	K972-E975 WeakPolarHBondContact CA-OE2 3.46Å; K972-E1197 HydrophobicContact CB-CB 3.48Å; K972-E1197 VanDerWaalsContact CB-CB 3.48Å; K972-E1197 HydrophobicContact CB-CG 3.55Å; K972-E1197 VanDerWaalsContact CB-OE1 3.28Å; K972-E1197 WeakPolarHBondContact CB-OE1 3.29Å; K972-E1197 HydrophobicContact CD-CG 4.07Å; K972-E1197 HydrophobicContact CG-CG 4.38Å
973	A	30.4	Very low	31.6	Very low	42 Å²	42	93.7 Å²	93.7	35%	0.347	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-22.6	167.4	0	0	0	0	0	114.4	L971 E1197	L971-A973 CarbonylContact O-C 3.57Å; L971-A973 PolarHBondContact O-N 2.73Å; A973-E1197 WeakPolarHBondContact CB-OE2 3.41Å; A973-E1197 PolarHBondContact N-OE1 3.09Å; A973-E1197 VanDerWaalsContact N-OE1 3.15Å; A973-E1197 PolarHBondContact N-OE2 3.34Å
974	F	29.2	Very low	31.2	Very low	88 Å²	88	93.6 Å²	93.6	39%	0.386	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-22.8	164.8	-96	-105.7	0	0	0	115.1	L971 R976 K977 P1191 K1193	L971-F974 CarbonylContact O-C 2.93Å; L971-F974 VanDerWaalsContact O-C 3.23Å; L971-F974 WeakPolarHBondContact O-CA 3.39Å; L971-F974 WeakPolarHBondContact O-CB 3.26Å; L971-F974 PolarHBondContact O-N 2.8Å; F974-R976 PolarHBondContact O-N 2.96Å; F974-K977 PolarHBondContact O-N 3.41Å; F974-P1191 HydrophobicContact CD1-CB 3.81Å; F974-P1191 HydrophobicContact CD1-CG 3.45Å; F974-P1191 VanDerWaalsContact CD1-CG 3.45Å; F974-P1191 HydrophobicContact CE1-CB 3.44Å; F974-P1191 VanDerWaalsContact CE1-CB 3.44Å; F974-P1191 HydrophobicContact CE1-CG 3.36Å; F974-P1191 HydrophobicContact CG-CG 4.48Å; F974-P1191 HydrophobicContact CZ-CB 3.97Å; F974-P1191 HydrophobicContact CZ-CG 4.37Å; F974-K1193 HydrophobicContact CD2-CB 4.3Å; F974-K1193 HydrophobicContact CD2-CD 3.88Å; F974-K1193 WeakPolarHBondContact CD2-O 3.38Å; F974-K1193 HydrophobicContact CE2-CB 3.62Å; F974-K1193 HydrophobicContact CE2-CD 3.74Å; F974-K1193 HydrophobicContact CE2-CG 4.11Å; F974-K1193 WeakPolarHBondContact CE2-O 3.41Å; F974-K1193 WeakPolarHBondContact CG-O 3.35Å; F974-K1193 HydrophobicContact CZ-CB 4.16Å
975	E	28.6	Very low	30.9	Very low	115 Å²	115	98.6 Å²	98.6	54%	0.537	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-24.6	164	-70.9	-166.7	79.5	0	0	110.6	L971 K972 R1201	L971-E975 PolarHBondContact O-N 2.84Å; K972-E975 WeakPolarHBondContact CA-OE2 3.46Å; E975-R1201 IonicContact OE2-CZ 2.65Å; E975-R1201 IonicContact OE2-NH1 2.71Å; E975-R1201 PolarHBondContact OE2-NH1 3.28Å; E975-R1201 IonicContact OE2-NH2 3.39Å; E975-R1201 PolarHBondContact OE2-NH2 3.24Å
976	R	28	Very low	30.7	Very low	204 Å²	204	98.2 Å²	98.2	77%	0.77	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-10.6	-170.6	-66.6	176.6	171	-176.9	-4.8	116.5	F974	F974-R976 PolarHBondContact O-N 2.96Å
977	K	29.5	Very low	30.6	Very low	183 Å²	183	94.9 Å²	94.9	80%	0.796	48%	0.476	S	S	*	.			trans	-134.8	110.5	-178.4	-73.3	-175.7	-179.3	173	0	115	F974	F974-K977 PolarHBondContact O-N 3.41Å
978	R	27.5	Very low	30.4	Very low	174 Å²	174	94.7 Å²	94.7	66%	0.657	48%	0.481	S	S	*	.			trans	-100.4	131.5	-179.8	-53.1	163.8	172.8	179.6	-3.3	110.8
979	Y	32.4	Very low	30.2	Very low	124 Å²	124	99 Å²	99	49%	0.486	51%	0.508	S	S	.	.			trans	-177.2	137.4	139.6	-97.2	-59.2	0	0	0	115.3	R257	R257-Y979 PolarHBondContact NH2-OH 3.07Å
980	N	28.4	Very low	30.3	Very low	126 Å²	126	98.9 Å²	98.9	67%	0.674	50%	0.503	S	S	*	.			trans	19.1	107.3	154.5	-60.1	-1	0	0	0	121.4
981	C	30.1	Very low	30.5	Very low	102 Å²	102	101.5 Å²	101.5	69%	0.689	52%	0.516	S	S	*	.			trans	-111.5	118.7	155.7	-73.3	0	0	0	0	110.8	N983	C981-N983 PolarHBondContact O-N 3.39Å
982	S	28.7	Very low	30.8	Very low	122 Å²	122	102 Å²	102	85%	0.853	52%	0.515	S	S	*	.			trans	-94.9	73.4	178.9	58.9	0	0	0	0	112
983	N	28.8	Very low	31.2	Very low	137 Å²	137	103.1 Å²	103.1	73%	0.733	53%	0.533	S	S	*	.			trans	-131.7	146.7	173.9	-93.8	-13.5	0	0	0	111.1	C981 Y985 A986	C981-N983 PolarHBondContact O-N 3.39Å; N983-Y985 PolarHBondContact O-N 2.81Å; N983-A986 PolarHBondContact O-N 3.45Å
984	S	29.6	Very low	31.6	Very low	95 Å²	95	106.7 Å²	106.7	66%	0.664	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	2.1	-167.9	54.4	0	0	0	0	116.5
985	Y	30.6	Very low	32	Very low	152 Å²	152	110.8 Å²	110.8	60%	0.596	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.7	8.7	-177	-68	-74	0	0	0	113.4	N983 A1185	N983-Y985 PolarHBondContact O-N 2.81Å; Y985-A1185 WeakPolarHBondContact O-CA 3.31Å; Y985-A1185 WeakPolarHBondContact O-CB 3.32Å
986	A	31.3	Very low	32.4	Very low	23 Å²	23	109.9 Å²	109.9	19%	0.19	55%	0.548	C	S	.	.			trans	-94.8	118.8	177.8	0	0	0	0	0	111.3	N983 A988 T1189	N983-A986 PolarHBondContact O-N 3.45Å; A986-A988 HydrophobicContact CB-CB 4.5Å; A986-A988 PolarHBondContact O-N 3.17Å; A986-T1189 HydrophobicContact CB-CG2 3.84Å
987	L	33.5	Very low	32.5	Very low	43 Å²	43	109.5 Å²	109.5	23%	0.225	55%	0.551	C	S	.	*	S	Bend	trans	-61.8	-17.9	166.3	-79	177.6	0	0	0	112.5	T989 L1182 L1186	L987-T989 PolarHBondContact O-N 3.38Å; L987-L1182 HydrophobicContact CD1-CD1 4.29Å; L987-L1182 HydrophobicContact CD1-CD2 3.97Å; L987-L1182 HydrophobicContact CD2-CD2 4.42Å; L987-L1182 HydrophobicContact CG-CD2 4.32Å; L987-L1186 HydrophobicContact CD1-CD2 3.82Å; L987-L1186 HydrophobicContact CD1-CG 4.1Å
988	A	31.3	Very low	32.7	Very low	40 Å²	40	107.3 Å²	107.3	33%	0.331	55%	0.553	S	S	.	*			trans	-68.3	31	-176.7	0	0	0	0	0	116.2	A986 N990 T1189	A986-A988 HydrophobicContact CB-CB 4.5Å; A986-A988 PolarHBondContact O-N 3.17Å; A988-N990 PolarHBondContact O-N 2.97Å; A988-N990 PolarHBondContact O-ND2 2.99Å; A988-T1189 HydrophobicContact CB-CG2 3.58Å
989	T	30.1	Very low	32.9	Very low	98 Å²	98	104.8 Å²	104.8	60%	0.601	56%	0.557	S	S	*	*			trans	-67.7	99.5	158.9	61.3	0	0	0	0	108.5	L987 I991	L987-T989 PolarHBondContact O-N 3.38Å; T989-I991 PolarHBondContact O-N 2.84Å
990	N	34.9	Very low	32.8	Very low	54 Å²	54	108.4 Å²	108.4	29%	0.289	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.4	31.9	-166.5	-95	-119.5	0	0	0	115.1	A988 R994	A988-N990 PolarHBondContact O-N 2.97Å; A988-N990 PolarHBondContact O-ND2 2.99Å; N990-R994 PolarHBondContact OD1-NH1 3.07Å; N990-R994 PolarHBondContact OD1-NH2 2.85Å
991	I	36.7	Very low	32.9	Very low	90 Å²	90	105.7 Å²	105.7	46%	0.462	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111.9	-43.5	-171.4	-57	176.9	0	0	0	111.4	T989 R994	T989-I991 PolarHBondContact O-N 2.84Å; I991-R994 PolarHBondContact O-N 3.37Å
992	W	37.7	Very low	33.3	Very low	50 Å²	50	107.2 Å²	107.2	19%	0.189	57%	0.569	C	S	.	*	G	3₁₀ helix	trans	-58.8	-56.3	-174.1	176.8	18.8	0	0	0	112	R994 P1011 M1014 F1026 P1029	W992-R994 VanDerWaalsContact C-N 3.27Å; W992-R994 PolarHBondContact O-N 3.16Å; W992-P1011 HydrophobicContact CD2-CG 4.32Å; W992-P1011 HydrophobicContact CE3-CG 3.74Å; W992-P1011 HydrophobicContact CH2-CG 4.47Å; W992-P1011 HydrophobicContact CZ3-CG 3.81Å; W992-M1014 HydrophobicContact CH2-CE 3.76Å; W992-M1014 HydrophobicContact CH2-SD 3.63Å; W992-M1014 HydrophobicContact CZ2-CE 3.92Å; W992-M1014 HydrophobicContact CZ2-SD 4.33Å; W992-M1014 HydrophobicContact CZ3-SD 4.04Å; W992-F1026 AromaticContact CD1-CE2 3.88Å; W992-F1026 HydrophobicContact CZ2-CD2 4.42Å; W992-F1026 AromaticContact NE1-CD2 3.5Å; W992-F1026 AromaticContact NE1-CE2 3.59Å; W992-F1026 PolarHBondContact NE1-O 2.93Å; W992-P1029 HydrophobicContact CH2-CB 4.08Å; W992-P1029 HydrophobicContact CZ2-CB 3.92Å
993	S	38.5	Very low	33.9	Very low	103 Å²	103	106.7 Å²	106.7	72%	0.72	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-73.1	-8.2	-179.4	57.9	0	0	0	0	115.5
994	R	37.5	Very low	34.6	Very low	118 Å²	118	104.4 Å²	104.4	45%	0.445	56%	0.56	S	S	.	*	G	3₁₀ helix	trans	-105.3	0.7	-174	-72.1	-164.1	-177.2	130.6	17.2	115.5	N990 I991 W992	N990-R994 PolarHBondContact OD1-NH1 3.07Å; N990-R994 PolarHBondContact OD1-NH2 2.85Å; I991-R994 PolarHBondContact O-N 3.37Å; W992-R994 VanDerWaalsContact C-N 3.27Å; W992-R994 PolarHBondContact O-N 3.16Å
995	R	38.5	Very low	35.4	Very low	174 Å²	174	102.7 Å²	102.7	66%	0.657	54%	0.544	S	S	*	.	S	Bend	trans	-120.4	-4.9	-175.2	-74.4	-172.1	173.4	-178.4	-0.8	115.9
996	M	36.9	Very low	36.1	Very low	96 Å²	96	98.1 Å²	98.1	47%	0.473	53%	0.528	S	S	.	.			trans	-87.6	-9.1	178.8	-77.6	-61.7	-160.6	0	0	114.8	V998 F1026	M996-V998 PolarHBondContact O-N 3.39Å; M996-F1026 HydrophobicContact CE-CE1 3.52Å; M996-F1026 HydrophobicContact CE-CZ 3.62Å
997	K	31.2	Very low	36.9	Very low	195 Å²	195	104.1 Å²	104.1	85%	0.848	55%	0.552	S	S	*	*	S	Bend	trans	-81	112.8	173.7	-68.9	-157.5	174	-164.7	0	110.4
998	V	31.7	Very low	37.5	Very low	137 Å²	137	110 Å²	110	83%	0.83	57%	0.571	S	S	*	*	S	Bend	trans	68.1	73.5	170.3	-163.4	0	0	0	0	115.7	M996	M996-V998 PolarHBondContact O-N 3.39Å
999	T	32.5	Very low	38.2	Very low	122 Å²	122	112.5 Å²	112.5	75%	0.748	58%	0.575	S	S	*	*			trans	172.4	137.8	134.1	36.2	0	0	0	0	109.1	P1001	T999-P1001 WeakPolarHBondContact O-CD 3.38Å
1000	E	30.2	Very low	39	Very low	199 Å²	199	108.9 Å²	108.9	93%	0.93	55%	0.552	S	S	*	*			trans	-66.3	127.7	177.2	-60.7	177.4	141.4	0	0	112.2
1001	P	30.5	Very low	39.5	Very low	69 Å²	69	107.2 Å²	107.2	45%	0.448	54%	0.544	S	S	.	.			trans	-115.3	124.7	178	35	-22.5	0	0	0	113.3	T999	T999-P1001 WeakPolarHBondContact O-CD 3.38Å
1002	N	38.2	Very low	40	Very low	134 Å²	134	107.5 Å²	107.5	72%	0.717	55%	0.551	S	S	*	*			trans	-38	134.5	176	-90.7	-29.1	0	0	0	115.1	A1004 N1005	N1002-A1004 PolarHBondContact O-N 2.94Å; N1002-A1004 VanDerWaalsContact O-N 3.07Å; N1002-N1005 PolarHBondContact O-N 3.44Å
1003	V	42.2	Very low	40.4	Very low	112 Å²	112	109.6 Å²	109.6	68%	0.679	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-43.2	-46.1	179.7	-177.2	0	0	0	0	112.7	N1005 Q1006	V1003-N1005 PolarHBondContact O-N 3.03Å; V1003-Q1006 WeakPolarHBondContact O-CB 3.38Å; V1003-Q1006 WeakPolarHBondContact O-CG 3.25Å; V1003-Q1006 PolarHBondContact O-N 3.14Å
1004	A	44	Very low	41	Very low	88 Å²	88	105.2 Å²	105.2	73%	0.727	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-60.8	-5.6	-179.2	0	0	0	0	0	116.1	N1002	N1002-A1004 PolarHBondContact O-N 2.94Å; N1002-A1004 VanDerWaalsContact O-N 3.07Å
1005	N	45.7	Very low	41.6	Very low	60 Å²	60	106 Å²	106	32%	0.321	54%	0.537	S	S	.	.	G	3₁₀ helix	trans	-104.9	-8.1	172.7	-77	-71.6	0	0	0	114.4	N1002 V1003 E1007 R1008 F1009	N1002-N1005 PolarHBondContact O-N 3.44Å; V1003-N1005 PolarHBondContact O-N 3.03Å; N1005-E1007 PolarHBondContact O-N 3.16Å; N1005-R1008 WeakPolarHBondContact O-CB 3.28Å; N1005-R1008 PolarHBondContact O-N 3.35Å; N1005-R1008 PolarHBondContact OD1-NH1 3.44Å; N1005-R1008 VanDerWaalsContact OD1-NH1 3.17Å; N1005-F1009 HydrophobicContact CB-CE2 4.26Å; N1005-F1009 VanDerWaalsContact O-CD2 3.23Å; N1005-F1009 WeakPolarHBondContact O-CD2 3.42Å; N1005-F1009 WeakPolarHBondContact O-CE2 3.44Å
1006	Q	45.8	Very low	42.1	Very low	55 Å²	55	101.7 Å²	101.7	26%	0.257	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-62.3	-46.2	-172	-67.7	176.4	-5.4	0	0	112.3	V1003 R1008 F1009	V1003-Q1006 WeakPolarHBondContact O-CB 3.38Å; V1003-Q1006 WeakPolarHBondContact O-CG 3.25Å; V1003-Q1006 PolarHBondContact O-N 3.14Å; Q1006-R1008 PolarHBondContact O-N 3.42Å; Q1006-F1009 PolarHBondContact O-N 2.91Å
1007	E	46.5	Very low	42.7	Very low	149 Å²	149	97.8 Å²	97.8	70%	0.696	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-52.5	-32.1	178.7	-59.3	-176.7	160	0	0	114.1	N1005 F1009 R1015	N1005-E1007 PolarHBondContact O-N 3.16Å; E1007-F1009 PolarHBondContact O-N 3.45Å; E1007-R1015 PolarHBondContact O-NH2 2.67Å
1008	R	46.3	Very low	43.6	Very low	166 Å²	166	90.5 Å²	90.5	63%	0.626	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-67.3	-24.6	-178.9	-68.8	177.8	168.5	167.8	-4.7	112.5	N1005 Q1006 R1015	N1005-R1008 WeakPolarHBondContact O-CB 3.28Å; N1005-R1008 PolarHBondContact O-N 3.35Å; N1005-R1008 PolarHBondContact OD1-NH1 3.44Å; N1005-R1008 VanDerWaalsContact OD1-NH1 3.17Å; Q1006-R1008 PolarHBondContact O-N 3.42Å; R1008-R1015 PolarHBondContact O-NH2 3.26Å
1009	F	46.3	Very low	44.5	Very low	93 Å²	93	87.6 Å²	87.6	41%	0.408	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-16.6	-176.4	-60	-65.5	0	0	0	114.3	N1005 Q1006 E1007 F1026	N1005-F1009 HydrophobicContact CB-CE2 4.26Å; N1005-F1009 VanDerWaalsContact O-CD2 3.23Å; N1005-F1009 WeakPolarHBondContact O-CD2 3.42Å; N1005-F1009 WeakPolarHBondContact O-CE2 3.44Å; Q1006-F1009 PolarHBondContact O-N 2.91Å; E1007-F1009 PolarHBondContact O-N 3.45Å; F1009-F1026 HydrophobicContact CB-CE2 3.9Å; F1009-F1026 HydrophobicContact CB-CZ 3.97Å
1010	I	47.8	Very low	45.2	Very low	22 Å²	22	86 Å²	86	11%	0.113	45%	0.453	C	S	.	.	S	Bend	trans	-64.4	128.2	176.3	-58.9	177.5	0	0	0	109.4	M1014 R1015 F1026	I1010-M1014 HydrophobicContact CG2-CB 3.51Å; I1010-R1015 HydrophobicContact CB-CG 4.07Å; I1010-R1015 HydrophobicContact CG2-CG 3.75Å; I1010-R1015 VanDerWaalsContact O-CZ 3.29Å; I1010-R1015 PolarHBondContact O-NE 3.09Å; I1010-R1015 PolarHBondContact O-NH2 2.71Å; I1010-F1026 HydrophobicContact CG1-CD2 3.85Å; I1010-F1026 HydrophobicContact CG1-CE2 4.13Å; I1010-F1026 HydrophobicContact CG1-CG 4.21Å
1011	P	44.9	Very low	46.3	Very low	20 Å²	20	77.8 Å²	77.8	13%	0.13	42%	0.415	C	S	.	.			trans	-58.2	149.9	173.6	-25.5	35.1	0	0	0	112.2	W992 I1013 M1014 R1015	W992-P1011 HydrophobicContact CD2-CG 4.32Å; W992-P1011 HydrophobicContact CE3-CG 3.74Å; W992-P1011 HydrophobicContact CH2-CG 4.47Å; W992-P1011 HydrophobicContact CZ3-CG 3.81Å; P1011-I1013 VanDerWaalsContact C-N 3.35Å; P1011-I1013 PolarHBondContact O-N 3.38Å; P1011-M1014 HydrophobicContact CB-SD 4.23Å; P1011-M1014 HydrophobicContact CG-SD 3.76Å; P1011-M1014 WeakPolarHBondContact O-CA 3.41Å; P1011-M1014 PolarHBondContact O-N 3.2Å; P1011-R1015 PolarHBondContact O-N 3.49Å
1012	P	46.1	Very low	47.4	Very low	95 Å²	95	74.6 Å²	74.6	62%	0.617	40%	0.395	S	S	*	.	H	α-helix	trans	-52	-48	-176.1	-28.9	36	0	0	0	114	M1014 R1015	P1012-M1014 PolarHBondContact O-N 2.96Å; P1012-R1015 PolarHBondContact O-N 3.15Å
1013	I	47.7	Very low	48.1	Very low	95 Å²	95	71.9 Å²	71.9	49%	0.487	38%	0.379	S	S	.	.	H	α-helix	trans	-56.8	-22.5	177.5	-69.5	170.9	0	0	0	113.3	P1011 L1182	P1011-I1013 VanDerWaalsContact C-N 3.35Å; P1011-I1013 PolarHBondContact O-N 3.38Å; I1013-L1182 HydrophobicContact CD1-CD2 4.45Å
1014	M	49.5	Very low	48.6	Very low	10 Å²	10	74.4 Å²	74.4	5%	0.049	38%	0.377	C	S	.	.	H	α-helix	trans	-99.9	-4.5	-179.3	-67.4	168.9	58.3	0	0	113.6	W992 I1010 P1011 P1012 L1017 L1025 F1026	W992-M1014 HydrophobicContact CH2-CE 3.76Å; W992-M1014 HydrophobicContact CH2-SD 3.63Å; W992-M1014 HydrophobicContact CZ2-CE 3.92Å; W992-M1014 HydrophobicContact CZ2-SD 4.33Å; W992-M1014 HydrophobicContact CZ3-SD 4.04Å; I1010-M1014 HydrophobicContact CG2-CB 3.51Å; P1011-M1014 HydrophobicContact CB-SD 4.23Å; P1011-M1014 HydrophobicContact CG-SD 3.76Å; P1011-M1014 WeakPolarHBondContact O-CA 3.41Å; P1011-M1014 PolarHBondContact O-N 3.2Å; P1012-M1014 PolarHBondContact O-N 2.96Å; M1014-L1017 HydrophobicContact CG-CD1 4.45Å; M1014-L1025 HydrophobicContact CE-CB 3.7Å; M1014-F1026 HydrophobicContact CE-CB 4.21Å
1015	R	51.3	Low	49	Very low	136 Å²	136	70.8 Å²	70.8	51%	0.513	35%	0.345	S	S	.	.	H	α-helix	trans	-83.2	-25.8	172.5	-61.3	179.1	-166.6	-158.1	-5.2	112.3	E1007 R1008 I1010 P1011 P1012 L1017	E1007-R1015 PolarHBondContact O-NH2 2.67Å; R1008-R1015 PolarHBondContact O-NH2 3.26Å; I1010-R1015 HydrophobicContact CB-CG 4.07Å; I1010-R1015 HydrophobicContact CG2-CG 3.75Å; I1010-R1015 VanDerWaalsContact O-CZ 3.29Å; I1010-R1015 PolarHBondContact O-NE 3.09Å; I1010-R1015 PolarHBondContact O-NH2 2.71Å; P1011-R1015 PolarHBondContact O-N 3.49Å; P1012-R1015 PolarHBondContact O-N 3.15Å; R1015-L1017 PolarHBondContact O-N 2.88Å
1016	D	48.3	Very low	49.4	Very low	82 Å²	82	68.3 Å²	68.3	44%	0.439	33%	0.331	S	S	.	.	S	Bend	trans	-85.7	2.2	-179.1	-50.6	-36.1	0	0	0	112
1017	L	50.7	Low	49.6	Very low	15 Å²	15	71.1 Å²	71.1	8%	0.079	34%	0.344	C	S	.	.	S	Bend	trans	-92.8	151.9	175.1	-69.9	173.8	0	0	0	111.6	M1014 R1015 S1019 I1021 L1025 L1104 L1178	M1014-L1017 HydrophobicContact CG-CD1 4.45Å; R1015-L1017 PolarHBondContact O-N 2.88Å; L1017-S1019 PolarHBondContact O-N 2.85Å; L1017-I1021 HydrophobicContact CD1-CG2 4.26Å; L1017-L1025 HydrophobicContact CD1-CD1 3.78Å; L1017-L1104 HydrophobicContact CD2-CD2 4Å; L1017-L1178 HydrophobicContact CD1-CD1 3.8Å; L1017-L1178 HydrophobicContact CD1-CD2 4.22Å; L1017-L1178 HydrophobicContact CD2-CD1 4.2Å; L1017-L1178 HydrophobicContact CD2-CD2 4.32Å
1018	P	49.1	Very low	50	Low	42 Å²	42	68.6 Å²	68.6	27%	0.273	33%	0.332	S	S	.	.			trans	-49.3	137.3	169.5	-28.7	36.9	0	0	0	111.8	N1020 I1021 G1022	P1018-N1020 VanDerWaalsContact C-N 3.3Å; P1018-N1020 VanDerWaalsContact CB-OD1 3.32Å; P1018-N1020 WeakPolarHBondContact CB-OD1 3.12Å; P1018-N1020 PolarHBondContact O-N 3.1Å; P1018-I1021 HydrophobicContact CB-CD1 4.27Å; P1018-I1021 HydrophobicContact CB-CG1 4.42Å; P1018-I1021 HydrophobicContact CG-CD1 4.18Å; P1018-I1021 CarbonylContact O-C 3.56Å; P1018-I1021 WeakPolarHBondContact O-CA 3.33Å; P1018-I1021 WeakPolarHBondContact O-CB 3.32Å; P1018-I1021 PolarHBondContact O-N 3.07Å; P1018-G1022 PolarHBondContact O-N 3.07Å
1019	S	49.9	Very low	50.2	Low	76 Å²	76	63.2 Å²	63.2	53%	0.531	32%	0.319	S	S	.	.	H	α-helix	trans	-59.2	-37.6	-166.4	55.7	0	0	0	0	113.6	L1017 I1021 G1022 I1023	L1017-S1019 PolarHBondContact O-N 2.85Å; S1019-I1021 PolarHBondContact O-N 3.2Å; S1019-G1022 PolarHBondContact O-N 3.42Å; S1019-I1023 WeakPolarHBondContact O-CB 3.2Å; S1019-I1023 WeakPolarHBondContact O-CD1 3.1Å; S1019-I1023 WeakPolarHBondContact O-CG1 3.19Å; S1019-I1023 PolarHBondContact O-N 3.38Å
1020	N	48.6	Very low	50.3	Low	88 Å²	88	66.1 Å²	66.1	47%	0.471	33%	0.334	S	S	.	.	H	α-helix	trans	-59.1	-41.7	172.8	58.1	-17.4	0	0	0	112.9	P1018 R1024	P1018-N1020 VanDerWaalsContact C-N 3.3Å; P1018-N1020 VanDerWaalsContact CB-OD1 3.32Å; P1018-N1020 WeakPolarHBondContact CB-OD1 3.12Å; P1018-N1020 PolarHBondContact O-N 3.1Å; N1020-R1024 WeakPolarHBondContact O-CB 3.34Å; N1020-R1024 PolarHBondContact O-N 2.74Å
1021	I	52.1	Low	50.6	Low	27 Å²	27	68.8 Å²	68.8	14%	0.138	35%	0.348	C	S	.	.	H	α-helix	trans	-73.8	-47	177.3	-61	176.4	0	0	0	110.4	L1017 P1018 S1019 I1023 R1024 L1025 I1174	L1017-I1021 HydrophobicContact CD1-CG2 4.26Å; P1018-I1021 HydrophobicContact CB-CD1 4.27Å; P1018-I1021 HydrophobicContact CB-CG1 4.42Å; P1018-I1021 HydrophobicContact CG-CD1 4.18Å; P1018-I1021 CarbonylContact O-C 3.56Å; P1018-I1021 WeakPolarHBondContact O-CA 3.33Å; P1018-I1021 WeakPolarHBondContact O-CB 3.32Å; P1018-I1021 PolarHBondContact O-N 3.07Å; S1019-I1021 PolarHBondContact O-N 3.2Å; I1021-I1023 VanDerWaalsContact C-N 3.32Å; I1021-I1023 PolarHBondContact O-N 2.98Å; I1021-R1024 PolarHBondContact O-N 3.17Å; I1021-L1025 HydrophobicContact CG2-CD1 3.8Å; I1021-L1025 HydrophobicContact CG2-CG 4.34Å; I1021-L1025 WeakPolarHBondContact O-CB 3.31Å; I1021-L1025 VanDerWaalsContact O-CG 3.3Å; I1021-L1025 WeakPolarHBondContact O-CG 3.19Å; I1021-L1025 PolarHBondContact O-N 3.26Å; I1021-I1174 HydrophobicContact CD1-CD1 3.9Å; I1021-I1174 HydrophobicContact CG2-CG2 4.43Å
1022	G	54.9	Low	50.9	Low	2 Å²	2	69 Å²	69	2%	0.021	35%	0.348	C	S	.	.	H	α-helix	trans	-58.9	-41.1	177.2	0	0	0	0	0	112.7	P1018 S1019 F1026	P1018-G1022 PolarHBondContact O-N 3.07Å; S1019-G1022 PolarHBondContact O-N 3.42Å; G1022-F1026 WeakPolarHBondContact O-CB 3.18Å; G1022-F1026 PolarHBondContact O-N 2.87Å
1023	I	53.4	Low	50.9	Low	76 Å²	76	67.5 Å²	67.5	39%	0.39	34%	0.34	S	S	.	.	H	α-helix	trans	-70.9	-45.8	175.8	-68.4	167.5	0	0	0	110.8	S1019 I1021 L1025 F1026 H1027	S1019-I1023 WeakPolarHBondContact O-CB 3.2Å; S1019-I1023 WeakPolarHBondContact O-CD1 3.1Å; S1019-I1023 WeakPolarHBondContact O-CG1 3.19Å; S1019-I1023 PolarHBondContact O-N 3.38Å; I1021-I1023 VanDerWaalsContact C-N 3.32Å; I1021-I1023 PolarHBondContact O-N 2.98Å; I1023-L1025 VanDerWaalsContact C-N 3.34Å; I1023-L1025 PolarHBondContact O-N 3.31Å; I1023-F1026 PolarHBondContact O-N 3.01Å; I1023-F1026 VanDerWaalsContact O-N 3.09Å; I1023-H1027 PolarHBondContact O-CD2 3.01Å; I1023-H1027 PolarHBondContact O-N 2.89Å
1024	R	51.3	Low	51	Low	166 Å²	166	69.2 Å²	69.2	63%	0.626	34%	0.344	S	S	*	.	H	α-helix	trans	-52.6	-52	173.3	-104.5	-178.6	155.4	167.6	-4	111.4	N1020 I1021 F1026 H1027 Q1028	N1020-R1024 WeakPolarHBondContact O-CB 3.34Å; N1020-R1024 PolarHBondContact O-N 2.74Å; I1021-R1024 PolarHBondContact O-N 3.17Å; R1024-F1026 VanDerWaalsContact C-N 3.29Å; R1024-F1026 PolarHBondContact O-N 3.4Å; R1024-H1027 PolarHBondContact O-N 3.16Å; R1024-Q1028 WeakPolarHBondContact O-CB 3.36Å; R1024-Q1028 PolarHBondContact O-N 3.48Å
1025	L	52.7	Low	50.9	Low	11 Å²	11	73 Å²	73	6%	0.058	36%	0.357	C	S	.	.	H	α-helix	trans	-69.1	-24.7	179.8	-64.6	174.1	0	0	0	113.2	M1014 L1017 I1021 I1023 I1032 L1178	M1014-L1025 HydrophobicContact CE-CB 3.7Å; L1017-L1025 HydrophobicContact CD1-CD1 3.78Å; I1021-L1025 HydrophobicContact CG2-CD1 3.8Å; I1021-L1025 HydrophobicContact CG2-CG 4.34Å; I1021-L1025 WeakPolarHBondContact O-CB 3.31Å; I1021-L1025 VanDerWaalsContact O-CG 3.3Å; I1021-L1025 WeakPolarHBondContact O-CG 3.19Å; I1021-L1025 PolarHBondContact O-N 3.26Å; I1023-L1025 VanDerWaalsContact C-N 3.34Å; I1023-L1025 PolarHBondContact O-N 3.31Å; L1025-I1032 HydrophobicContact CB-CD1 4.36Å; L1025-I1032 HydrophobicContact CD2-CD1 4.22Å; L1025-I1032 HydrophobicContact CD2-CG1 3.83Å; L1025-L1178 HydrophobicContact CD1-CD1 3.73Å
1026	F	53.2	Low	50.7	Low	8 Å²	8	67 Å²	67	4%	0.035	34%	0.336	C	S	.	.	H	α-helix	trans	-74.5	-39.4	174.9	179.7	-106.7	0	0	0	112.9	W992 M996 F1009 I1010 M1014 G1022 I1023 R1024	W992-F1026 AromaticContact CD1-CE2 3.88Å; W992-F1026 HydrophobicContact CZ2-CD2 4.42Å; W992-F1026 AromaticContact NE1-CD2 3.5Å; W992-F1026 AromaticContact NE1-CE2 3.59Å; W992-F1026 PolarHBondContact NE1-O 2.93Å; M996-F1026 HydrophobicContact CE-CE1 3.52Å; M996-F1026 HydrophobicContact CE-CZ 3.62Å; F1009-F1026 HydrophobicContact CB-CE2 3.9Å; F1009-F1026 HydrophobicContact CB-CZ 3.97Å; I1010-F1026 HydrophobicContact CG1-CD2 3.85Å; I1010-F1026 HydrophobicContact CG1-CE2 4.13Å; I1010-F1026 HydrophobicContact CG1-CG 4.21Å; M1014-F1026 HydrophobicContact CE-CB 4.21Å; G1022-F1026 WeakPolarHBondContact O-CB 3.18Å; G1022-F1026 PolarHBondContact O-N 2.87Å; I1023-F1026 PolarHBondContact O-N 3.01Å; I1023-F1026 VanDerWaalsContact O-N 3.09Å; R1024-F1026 VanDerWaalsContact C-N 3.29Å; R1024-F1026 PolarHBondContact O-N 3.4Å
1027	H	50.9	Low	50.5	Low	114 Å²	114	67.1 Å²	67.1	53%	0.528	34%	0.336	S	S	.	.	H	α-helix	trans	-84.5	-30.7	177.6	-77	-91.4	0	0	0	113.4	I1023 R1024 P1029	I1023-H1027 PolarHBondContact O-CD2 3.01Å; I1023-H1027 PolarHBondContact O-N 2.89Å; R1024-H1027 PolarHBondContact O-N 3.16Å; H1027-P1029 VanDerWaalsContact O-CD 3.23Å; H1027-P1029 WeakPolarHBondContact O-CD 3.37Å
1028	Q	56	Low	50.5	Low	96 Å²	96	69.4 Å²	69.4	45%	0.449	35%	0.347	S	S	.	.			trans	-118	64.4	180	-60.8	178.8	-41.2	0	0	111	R1024 E1030 L1031	R1024-Q1028 WeakPolarHBondContact O-CB 3.36Å; R1024-Q1028 PolarHBondContact O-N 3.48Å; Q1028-E1030 PolarHBondContact O-N 3.19Å; Q1028-E1030 VanDerWaalsContact O-N 3.11Å; Q1028-L1031 HydrophobicContact CB-CD1 3.88Å; Q1028-L1031 HydrophobicContact CB-CG 3.98Å; Q1028-L1031 WeakPolarHBondContact O-CB 3.32Å; Q1028-L1031 PolarHBondContact O-N 3.18Å
1029	P	49.6	Very low	50.4	Low	54 Å²	54	69 Å²	69	35%	0.351	34%	0.341	S	S	.	.	H	α-helix	trans	-60.5	-21.5	175.4	27.8	-35.6	0	0	0	112.3	W992 H1027 L1031 I1032 S1033	W992-P1029 HydrophobicContact CH2-CB 4.08Å; W992-P1029 HydrophobicContact CZ2-CB 3.92Å; H1027-P1029 VanDerWaalsContact O-CD 3.23Å; H1027-P1029 WeakPolarHBondContact O-CD 3.37Å; P1029-L1031 PolarHBondContact O-N 3.02Å; P1029-I1032 PolarHBondContact O-N 3.13Å; P1029-I1032 VanDerWaalsContact O-N 3.11Å; P1029-S1033 PolarHBondContact O-N 3.41Å
1030	E	49.4	Very low	50.1	Low	153 Å²	153	65.8 Å²	65.8	72%	0.715	32%	0.32	S	S	*	.	H	α-helix	trans	-59.9	-28.9	174.4	-66.1	179.6	-172.4	0	0	113.2	Q1028 I1032 S1033 K1034	Q1028-E1030 PolarHBondContact O-N 3.19Å; Q1028-E1030 VanDerWaalsContact O-N 3.11Å; E1030-I1032 VanDerWaalsContact C-N 3.33Å; E1030-I1032 PolarHBondContact O-N 3.01Å; E1030-S1033 WeakPolarHBondContact CA-OG 3.48Å; E1030-S1033 PolarHBondContact O-N 3.38Å; E1030-S1033 PolarHBondContact O-OG 2.88Å; E1030-S1033 VanDerWaalsContact O-OG 3.08Å; E1030-K1034 WeakPolarHBondContact O-CB 3.34Å; E1030-K1034 PolarHBondContact O-N 3.48Å
1031	L	52.8	Low	49.9	Very low	79 Å²	79	68.6 Å²	68.6	41%	0.414	32%	0.324	S	S	.	.	H	α-helix	trans	-61.9	-40.7	173.3	-71.7	175.3	0	0	0	111.7	Q1028 P1029 R1035	Q1028-L1031 HydrophobicContact CB-CD1 3.88Å; Q1028-L1031 HydrophobicContact CB-CG 3.98Å; Q1028-L1031 WeakPolarHBondContact O-CB 3.32Å; Q1028-L1031 PolarHBondContact O-N 3.18Å; P1029-L1031 PolarHBondContact O-N 3.02Å; L1031-R1035 VanDerWaalsContact O-CB 3.28Å; L1031-R1035 WeakPolarHBondContact O-CB 3.12Å; L1031-R1035 PolarHBondContact O-N 3.41Å
1032	I	51.8	Low	49.6	Very low	23 Å²	23	69.7 Å²	69.7	12%	0.118	33%	0.334	C	S	.	.	H	α-helix	trans	-67.2	-48.9	179.1	-56.9	177.8	0	0	0	109.4	L1025 P1029 E1030 K1034 C1036 L1182 L1186	L1025-I1032 HydrophobicContact CB-CD1 4.36Å; L1025-I1032 HydrophobicContact CD2-CD1 4.22Å; L1025-I1032 HydrophobicContact CD2-CG1 3.83Å; P1029-I1032 PolarHBondContact O-N 3.13Å; P1029-I1032 VanDerWaalsContact O-N 3.11Å; E1030-I1032 VanDerWaalsContact C-N 3.33Å; E1030-I1032 PolarHBondContact O-N 3.01Å; I1032-K1034 PolarHBondContact O-N 3.21Å; I1032-C1036 VanDerWaalsContact O-CB 3.31Å; I1032-C1036 WeakPolarHBondContact O-CB 3.14Å; I1032-C1036 PolarHBondContact O-N 3.14Å; I1032-C1036 PolarHBondContact O-SG 3.34Å; I1032-C1036 VanDerWaalsContact O-SG 3.39Å; I1032-L1182 HydrophobicContact CD1-CD1 4.46Å; I1032-L1182 HydrophobicContact CG2-CD1 3.89Å; I1032-L1186 HydrophobicContact CG2-CD1 4.07Å
1033	S	45.5	Very low	49	Very low	64 Å²	64	72.7 Å²	72.7	45%	0.448	35%	0.354	S	S	.	.	H	α-helix	trans	-64.9	-38.9	178.6	49.4	0	0	0	0	112.6	P1029 E1030 L1037	P1029-S1033 PolarHBondContact O-N 3.41Å; E1030-S1033 WeakPolarHBondContact CA-OG 3.48Å; E1030-S1033 PolarHBondContact O-N 3.38Å; E1030-S1033 PolarHBondContact O-OG 2.88Å; E1030-S1033 VanDerWaalsContact O-OG 3.08Å; S1033-L1037 WeakPolarHBondContact O-CB 3.34Å; S1033-L1037 PolarHBondContact O-N 2.86Å
1034	K	49.2	Very low	48.4	Very low	132 Å²	132	72.9 Å²	72.9	57%	0.574	36%	0.356	S	S	*	.	H	α-helix	trans	-66.3	-49	177.4	-176.7	176.7	175.6	179.9	0	111.2	E1030 I1032 C1036 L1037 E1038	E1030-K1034 WeakPolarHBondContact O-CB 3.34Å; E1030-K1034 PolarHBondContact O-N 3.48Å; I1032-K1034 PolarHBondContact O-N 3.21Å; K1034-C1036 VanDerWaalsContact C-N 3.33Å; K1034-C1036 PolarHBondContact O-N 3.29Å; K1034-L1037 CarbonylContact O-C 3.48Å; K1034-L1037 WeakPolarHBondContact O-CB 3.3Å; K1034-L1037 PolarHBondContact O-N 3.35Å; K1034-L1037 VanDerWaalsContact O-N 3.11Å; K1034-E1038 WeakPolarHBondContact CE-OE1 3.24Å; K1034-E1038 WeakPolarHBondContact CG-OE1 3.47Å; K1034-E1038 WeakPolarHBondContact O-CG 3.5Å; K1034-E1038 PolarHBondContact O-N 2.97Å
1035	R	48.9	Very low	48	Very low	89 Å²	89	68.5 Å²	68.5	34%	0.336	34%	0.342	S	S	.	.	H	α-helix	trans	-67.5	-33	-179.6	-160	57	157.6	175.6	-3	112.3	L1031 E1038 I1039 D1172	L1031-R1035 VanDerWaalsContact O-CB 3.28Å; L1031-R1035 WeakPolarHBondContact O-CB 3.12Å; L1031-R1035 PolarHBondContact O-N 3.41Å; R1035-E1038 WeakPolarHBondContact CD-OE2 3.31Å; R1035-E1038 IonicContact CZ-OE2 2.77Å; R1035-E1038 IonicContact NE-OE2 2.71Å; R1035-E1038 IonicContact NH1-OE2 2.75Å; R1035-E1038 PolarHBondContact NH1-OE2 3.34Å; R1035-E1038 PolarHBondContact O-N 2.76Å; R1035-I1039 HydrophobicContact CG-CD1 4.41Å; R1035-I1039 WeakPolarHBondContact O-CB 3.48Å; R1035-I1039 WeakPolarHBondContact O-CG1 3.41Å; R1035-I1039 PolarHBondContact O-N 2.85Å; R1035-D1172 IonicContact CZ-OD1 2.74Å; R1035-D1172 IonicContact NE-OD1 2.69Å; R1035-D1172 IonicContact NH2-OD1 2.68Å; R1035-D1172 PolarHBondContact NH2-OD1 2.87Å; R1035-D1172 IonicContact NH2-OD2 3.13Å
1036	C	45.6	Very low	47.5	Very low	9 Å²	9	73.2 Å²	73.2	6%	0.061	37%	0.367	C	S	.	.	H	α-helix	trans	-73.9	-28.4	171.3	-69.3	0	0	0	0	113.3	I1032 K1034 A1040 L1186	I1032-C1036 VanDerWaalsContact O-CB 3.31Å; I1032-C1036 WeakPolarHBondContact O-CB 3.14Å; I1032-C1036 PolarHBondContact O-N 3.14Å; I1032-C1036 PolarHBondContact O-SG 3.34Å; I1032-C1036 VanDerWaalsContact O-SG 3.39Å; K1034-C1036 VanDerWaalsContact C-N 3.33Å; K1034-C1036 PolarHBondContact O-N 3.29Å; C1036-A1040 WeakPolarHBondContact O-CB 3.2Å; C1036-A1040 PolarHBondContact O-N 3.44Å; C1036-L1186 HydrophobicContact CB-CD1 3.91Å; C1036-L1186 WeakPolarHBondContact SG-CD1 3.09Å
1037	L	45.9	Very low	46.6	Very low	86 Å²	86	74 Å²	74	45%	0.45	38%	0.378	S	S	.	.	H	α-helix	trans	-69.6	-39.2	167.6	-96.7	162.9	0	0	0	112.2	S1033 K1034 A1040 R1041	S1033-L1037 WeakPolarHBondContact O-CB 3.34Å; S1033-L1037 PolarHBondContact O-N 2.86Å; K1034-L1037 CarbonylContact O-C 3.48Å; K1034-L1037 WeakPolarHBondContact O-CB 3.3Å; K1034-L1037 PolarHBondContact O-N 3.35Å; K1034-L1037 VanDerWaalsContact O-N 3.11Å; L1037-A1040 PolarHBondContact O-N 2.72Å; L1037-R1041 WeakPolarHBondContact O-CB 3.28Å; L1037-R1041 VanDerWaalsContact O-CG 3.26Å; L1037-R1041 WeakPolarHBondContact O-CG 3.44Å; L1037-R1041 PolarHBondContact O-N 3.28Å
1038	E	50	Low	45.7	Very low	63 Å²	63	73.8 Å²	73.8	29%	0.294	38%	0.38	S	S	.	.	H	α-helix	trans	-64.1	-41	173.3	-72.6	166.6	-170.8	0	0	111.4	K1034 R1035 R1041 S1042	K1034-E1038 WeakPolarHBondContact CE-OE1 3.24Å; K1034-E1038 WeakPolarHBondContact CG-OE1 3.47Å; K1034-E1038 WeakPolarHBondContact O-CG 3.5Å; K1034-E1038 PolarHBondContact O-N 2.97Å; R1035-E1038 WeakPolarHBondContact CD-OE2 3.31Å; R1035-E1038 IonicContact CZ-OE2 2.77Å; R1035-E1038 IonicContact NE-OE2 2.71Å; R1035-E1038 IonicContact NH1-OE2 2.75Å; R1035-E1038 PolarHBondContact NH1-OE2 3.34Å; R1035-E1038 PolarHBondContact O-N 2.76Å; E1038-R1041 PolarHBondContact O-N 2.99Å; E1038-S1042 WeakPolarHBondContact O-CB 3.43Å; E1038-S1042 PolarHBondContact O-N 3.4Å
1039	I	47.3	Very low	44.7	Very low	32 Å²	32	73.6 Å²	73.6	16%	0.164	38%	0.382	C	S	.	.	H	α-helix	trans	-69.9	-37	173.9	-73.2	162	0	0	0	111.4	R1035 S1042 C1043 A1179 W1183	R1035-I1039 HydrophobicContact CG-CD1 4.41Å; R1035-I1039 WeakPolarHBondContact O-CB 3.48Å; R1035-I1039 WeakPolarHBondContact O-CG1 3.41Å; R1035-I1039 PolarHBondContact O-N 2.85Å; I1039-S1042 PolarHBondContact O-N 2.9Å; I1039-C1043 VanDerWaalsContact O-CB 3.31Å; I1039-C1043 WeakPolarHBondContact O-CB 3.5Å; I1039-C1043 PolarHBondContact O-N 2.82Å; I1039-C1043 PolarHBondContact O-SG 2.95Å; I1039-C1043 VanDerWaalsContact O-SG 3.34Å; I1039-A1179 HydrophobicContact CD1-CB 3.37Å; I1039-W1183 HydrophobicContact CG2-CE3 4.15Å; I1039-W1183 HydrophobicContact CG2-CZ3 4.22Å
1040	A	43.8	Very low	43.8	Very low	10 Å²	10	75.3 Å²	75.3	8%	0.083	39%	0.388	C	S	.	.	H	α-helix	trans	-60.9	-47.3	171	0	0	0	0	0	111.7	C1036 L1037 C1043 L1044 W1183	C1036-A1040 WeakPolarHBondContact O-CB 3.2Å; C1036-A1040 PolarHBondContact O-N 3.44Å; L1037-A1040 PolarHBondContact O-N 2.72Å; A1040-C1043 PolarHBondContact O-N 3.3Å; A1040-L1044 WeakPolarHBondContact O-CB 3.15Å; A1040-L1044 WeakPolarHBondContact O-CD1 3.08Å; A1040-L1044 VanDerWaalsContact O-CG 3.25Å; A1040-L1044 WeakPolarHBondContact O-CG 3.47Å; A1040-L1044 PolarHBondContact O-N 2.79Å; A1040-W1183 HydrophobicContact CB-CH2 3.8Å; A1040-W1183 HydrophobicContact CB-CZ3 3.8Å
1041	R	44.2	Very low	43	Very low	146 Å²	146	76 Å²	76	55%	0.551	39%	0.385	S	S	*	.	H	α-helix	trans	-60.5	-46.4	175.8	-74.6	170.7	177.8	-174.3	-3.3	111.2	L1037 E1038 L1044 Q1045	L1037-R1041 WeakPolarHBondContact O-CB 3.28Å; L1037-R1041 VanDerWaalsContact O-CG 3.26Å; L1037-R1041 WeakPolarHBondContact O-CG 3.44Å; L1037-R1041 PolarHBondContact O-N 3.28Å; E1038-R1041 PolarHBondContact O-N 2.99Å; R1041-L1044 CarbonylContact O-C 3.38Å; R1041-L1044 PolarHBondContact O-N 2.93Å; R1041-Q1045 WeakPolarHBondContact O-CB 3.24Å; R1041-Q1045 VanDerWaalsContact O-CG 3.28Å; R1041-Q1045 WeakPolarHBondContact O-CG 3.2Å; R1041-Q1045 PolarHBondContact O-N 3.35Å; R1041-Q1045 PolarHBondContact O-OE1 3.33Å
1042	S	45.5	Very low	41.9	Very low	50 Å²	50	76.5 Å²	76.5	35%	0.35	39%	0.392	S	S	.	.	H	α-helix	trans	-65.7	-40.9	178.1	-177.5	0	0	0	0	112.8	E1038 I1039 L1044 Q1045 N1046	E1038-S1042 WeakPolarHBondContact O-CB 3.43Å; E1038-S1042 PolarHBondContact O-N 3.4Å; I1039-S1042 PolarHBondContact O-N 2.9Å; S1042-L1044 VanDerWaalsContact C-N 3.3Å; S1042-L1044 PolarHBondContact O-N 2.9Å; S1042-Q1045 PolarHBondContact O-N 3.14Å; S1042-N1046 VanDerWaalsContact O-CB 3.24Å; S1042-N1046 WeakPolarHBondContact O-CB 3.27Å; S1042-N1046 PolarHBondContact O-N 3.32Å; S1042-N1046 PolarHBondContact O-ND2 2.82Å; S1042-N1046 PolarHBondContact OG-ND2 3.44Å
1043	C	42.3	Very low	40.8	Very low	65 Å²	65	82.5 Å²	82.5	44%	0.439	42%	0.424	S	S	.	.	H	α-helix	trans	-65.3	-32.4	173	-73.6	0	0	0	0	112.6	I1039 A1040 G1047	I1039-C1043 VanDerWaalsContact O-CB 3.31Å; I1039-C1043 WeakPolarHBondContact O-CB 3.5Å; I1039-C1043 PolarHBondContact O-N 2.82Å; I1039-C1043 PolarHBondContact O-SG 2.95Å; I1039-C1043 VanDerWaalsContact O-SG 3.34Å; A1040-C1043 PolarHBondContact O-N 3.3Å; C1043-G1047 WeakPolarHBondContact O-CA 3.25Å; C1043-G1047 PolarHBondContact O-N 3.4Å
1044	L	40.1	Very low	40.1	Very low	81 Å²	81	87 Å²	87	42%	0.424	44%	0.438	S	S	.	.	H	α-helix	trans	-74.5	-43.1	172.9	-72.8	165.5	0	0	0	111.8	A1040 R1041 S1042 G1047 L1048 F1195	A1040-L1044 WeakPolarHBondContact O-CB 3.15Å; A1040-L1044 WeakPolarHBondContact O-CD1 3.08Å; A1040-L1044 VanDerWaalsContact O-CG 3.25Å; A1040-L1044 WeakPolarHBondContact O-CG 3.47Å; A1040-L1044 PolarHBondContact O-N 2.79Å; R1041-L1044 CarbonylContact O-C 3.38Å; R1041-L1044 PolarHBondContact O-N 2.93Å; S1042-L1044 VanDerWaalsContact C-N 3.3Å; S1042-L1044 PolarHBondContact O-N 2.9Å; L1044-G1047 PolarHBondContact O-N 3.49Å; L1044-L1048 HydrophobicContact CB-CD1 4.48Å; L1044-L1048 WeakPolarHBondContact O-CB 3.23Å; L1044-L1048 WeakPolarHBondContact O-CG 3.47Å; L1044-L1048 PolarHBondContact O-N 2.94Å; L1044-F1195 HydrophobicContact CD1-CE1 4.22Å; L1044-F1195 HydrophobicContact CD1-CZ 4.07Å
1045	Q	43.1	Very low	39.1	Very low	74 Å²	74	90.1 Å²	90.1	35%	0.346	45%	0.452	S	S	.	.	H	α-helix	trans	-63.1	-50.2	177.6	-73.3	167.2	-71.9	0	0	111.2	R1041 S1042 G1047 L1048 N1049 L1050	R1041-Q1045 WeakPolarHBondContact O-CB 3.24Å; R1041-Q1045 VanDerWaalsContact O-CG 3.28Å; R1041-Q1045 WeakPolarHBondContact O-CG 3.2Å; R1041-Q1045 PolarHBondContact O-N 3.35Å; R1041-Q1045 PolarHBondContact O-OE1 3.33Å; S1042-Q1045 PolarHBondContact O-N 3.14Å; Q1045-G1047 VanDerWaalsContact C-N 3.28Å; Q1045-G1047 PolarHBondContact O-N 2.9Å; Q1045-L1048 PolarHBondContact O-N 3.43Å; Q1045-N1049 PolarHBondContact O-N 3.05Å; Q1045-L1050 HydrophobicContact CB-CB 4.42Å; Q1045-L1050 HydrophobicContact CG-CB 4.47Å; Q1045-L1050 PolarHBondContact O-N 3.45Å
1046	N	42.3	Very low	38	Very low	109 Å²	109	95.6 Å²	95.6	58%	0.583	48%	0.481	S	S	*	.	H	α-helix	trans	-67.9	-28.5	175.6	-62.5	-15.3	0	0	0	112.3	S1042	S1042-N1046 VanDerWaalsContact O-CB 3.24Å; S1042-N1046 WeakPolarHBondContact O-CB 3.27Å; S1042-N1046 PolarHBondContact O-N 3.32Å; S1042-N1046 PolarHBondContact O-ND2 2.82Å; S1042-N1046 PolarHBondContact OG-ND2 3.44Å
1047	G	35.3	Very low	37.1	Very low	26 Å²	26	99.9 Å²	99.9	27%	0.268	51%	0.511	S	S	.	.	H	α-helix	trans	-77.2	-29.5	177.1	0	0	0	0	0	114.2	C1043 L1044 Q1045	C1043-G1047 WeakPolarHBondContact O-CA 3.25Å; C1043-G1047 PolarHBondContact O-N 3.4Å; L1044-G1047 PolarHBondContact O-N 3.49Å; Q1045-G1047 VanDerWaalsContact C-N 3.28Å; Q1045-G1047 PolarHBondContact O-N 2.9Å
1048	L	30.5	Very low	36.1	Very low	108 Å²	108	104 Å²	104	57%	0.565	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	8.5	-179.3	-62.7	169.3	0	0	0	112.6	L1044 Q1045 L1050	L1044-L1048 HydrophobicContact CB-CD1 4.48Å; L1044-L1048 WeakPolarHBondContact O-CB 3.23Å; L1044-L1048 WeakPolarHBondContact O-CG 3.47Å; L1044-L1048 PolarHBondContact O-N 2.94Å; Q1045-L1048 PolarHBondContact O-N 3.43Å; L1048-L1050 HydrophobicContact CB-CD1 3.89Å; L1048-L1050 HydrophobicContact CB-CG 3.84Å; L1048-L1050 HydrophobicContact CD1-CD1 4.05Å; L1048-L1050 PolarHBondContact O-N 3.48Å; L1048-L1050 VanDerWaalsContact O-N 3.17Å
1049	N	35.7	Very low	35.1	Very low	93 Å²	93	110.6 Å²	110.6	50%	0.497	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	55.6	29.6	-179.3	-150.8	41.1	0	0	0	113.6	Q1045 Y1051	Q1045-N1049 PolarHBondContact O-N 3.05Å; N1049-Y1051 PolarHBondContact O-N 3.22Å; N1049-Y1051 WeakPolarHBondContact OD1-CE2 3.3Å
1050	L	30	Very low	34	Very low	90 Å²	90	118.6 Å²	118.6	47%	0.471	59%	0.594	S	S	.	*			trans	-81.7	79.1	-177.6	-67	171.4	0	0	0	110.6	Q1045 L1048 T1052	Q1045-L1050 HydrophobicContact CB-CB 4.42Å; Q1045-L1050 HydrophobicContact CG-CB 4.47Å; Q1045-L1050 PolarHBondContact O-N 3.45Å; L1048-L1050 HydrophobicContact CB-CD1 3.89Å; L1048-L1050 HydrophobicContact CB-CG 3.84Å; L1048-L1050 HydrophobicContact CD1-CD1 4.05Å; L1048-L1050 PolarHBondContact O-N 3.48Å; L1048-L1050 VanDerWaalsContact O-N 3.17Å; L1050-T1052 PolarHBondContact O-N 3.07Å
1051	Y	33.5	Very low	33.1	Very low	166 Å²	166	125 Å²	125	65%	0.651	63%	0.626	S	S	*	*			trans	-65.7	124.2	163.3	-74.4	-95.3	0	0	0	109.4	N1049	N1049-Y1051 PolarHBondContact O-N 3.22Å; N1049-Y1051 WeakPolarHBondContact OD1-CE2 3.3Å
1052	T	30.5	Very low	32.3	Very low	90 Å²	90	124.9 Å²	124.9	55%	0.552	64%	0.636	S	S	*	*			trans	-108.8	106.4	166	50	0	0	0	0	107.1	L1050 E1054	L1050-T1052 PolarHBondContact O-N 3.07Å; T1052-E1054 PolarHBondContact O-N 3.3Å
1053	D	27.4	Very low	31.3	Very low	149 Å²	149	128.2 Å²	128.2	80%	0.797	65%	0.654	S	S	*	*			trans	-76.3	64.8	-175.2	-64.9	-38.7	0	0	0	111.9
1054	E	30.3	Very low	30.6	Very low	158 Å²	158	130.5 Å²	130.5	74%	0.738	67%	0.665	S	S	*	*			trans	-110.9	47.1	179.5	-65.7	-170.7	161.5	0	0	111.5	T1052	T1052-E1054 PolarHBondContact O-N 3.3Å
1055	K	28.4	Very low	30	Very low	198 Å²	198	132.6 Å²	132.6	86%	0.861	68%	0.677	S	S	*	*	S	Bend	trans	-158.4	14.3	166.2	-117.6	136.2	-162.7	164.9	0	119.9	S1057	K1055-S1057 PolarHBondContact O-N 2.87Å
1056	E	26.5	Very low	29.4	Very low	204 Å²	204	136.7 Å²	136.7	95%	0.953	70%	0.696	S	S	*	*	S	Bend	trans	-97.1	45.2	169	-67.3	-153.2	139.9	0	0	113.1
1057	S	26.9	Very low	28.7	Very low	99 Å²	99	135.9 Å²	135.9	69%	0.692	70%	0.699	S	S	*	*	S	Bend	trans	-154.4	41.6	-175.5	56	0	0	0	0	115.9	K1055	K1055-S1057 PolarHBondContact O-N 2.87Å
1058	L	25.4	Very low	28.3	Very low	173 Å²	173	140.3 Å²	140.3	91%	0.906	72%	0.721	S	S	*	*	S	Bend	trans	-165.8	117	154.6	-108.9	155.7	0	0	0	112.9
1059	K	27.5	Very low	28.3	Very low	201 Å²	201	141.2 Å²	141.2	87%	0.874	73%	0.73	S	S	*	*			trans	96.3	73.1	-178.5	-59.6	-173.2	174.4	-172.4	0	117.1
1060	K	24.8	Very low	27.8	Very low	200 Å²	200	142.1 Å²	142.1	87%	0.87	74%	0.743	S	S	*	*			trans	-64.1	170.8	136.4	-73.3	-175.7	174.8	-177.9	0	109.9
1061	I	25.4	Very low	27.7	Very low	146 Å²	146	143.8 Å²	143.8	75%	0.749	76%	0.757	S	S	*	*			trans	106.6	88.9	179.4	-60.7	164.5	0	0	0	111.4
1062	D	26.3	Very low	27.5	Very low	143 Å²	143	141.7 Å²	141.7	77%	0.765	76%	0.762	S	S	*	*				67.2	143.5	126.7	-53.4	-7.5	0	0	0	119.6
1063	V	26.3	Very low	27.4	Very low	120 Å²	120	141.7 Å²	141.7	73%	0.727	77%	0.765	S	S	*	*			cis	-162.7	136.4	-4.5	114.9	0	0	0	0	110
1064	V	27.1	Very low	27.5	Very low	112 Å²	112	142 Å²	142	68%	0.679	77%	0.766	S	S	*	*			trans	71.6	127.2	139.4	169.8	0	0	0	0	122.3
1065	D	28.1	Very low	27.4	Very low	126 Å²	126	140.7 Å²	140.7	67%	0.674	76%	0.764	S	S	*	*			trans	68	152.3	144.9	-67.1	-0.5	0	0	0	123.6
1066	Q	28.9	Very low	27.5	Very low	160 Å²	160	136.4 Å²	136.4	75%	0.748	76%	0.755	S	S	*	*			cis	-148.1	180	-7	-127.4	169.3	52.8	0	0	113.5
1067	S	27.8	Very low	27.5	Very low	91 Å²	91	133.3 Å²	133.3	64%	0.636	75%	0.745	S	S	*	*			trans	-44.5	-174.5	178.9	60.9	0	0	0	0	118.3
1068	T	27.6	Very low	27.6	Very low	119 Å²	119	136.3 Å²	136.3	73%	0.73	75%	0.753	S	S	*	*			cis	-163.6	167.8	25.8	-19.7	0	0	0	0	107.1
1069	V	30	Very low	27.7	Very low	127 Å²	127	132.3 Å²	132.3	77%	0.77	74%	0.74	S	S	*	*			cis	-147.1	169.2	10.9	-154.8	0	0	0	0	108.9
1070	C	24.8	Very low	27.5	Very low	113 Å²	113	131.5 Å²	131.5	76%	0.764	74%	0.739	S	S	*	*			trans	-87.2	176.3	158.9	-62.9	0	0	0	0	111.4
1071	T	28.2	Very low	27.5	Very low	125 Å²	125	129.4 Å²	129.4	77%	0.767	74%	0.737	S	S	*	*				-170.6	173.3	94	42.8	0	0	0	0	109.4
1072	T	29.2	Very low	27.5	Very low	121 Å²	121	130.5 Å²	130.5	74%	0.742	74%	0.742	S	S	*	*			cis	-171	160.8	-17.8	30.7	0	0	0	0	106.5
1073	S	29	Very low	27.4	Very low	90 Å²	90	132.8 Å²	132.8	63%	0.629	75%	0.745	S	S	*	*			cis	177.6	152.4	-27.6	54.7	0	0	0	0	108.1
1074	L	29.4	Very low	27.4	Very low	156 Å²	156	131.2 Å²	131.2	82%	0.817	74%	0.737	S	S	*	*			trans	70.2	136.8	168	-55	159.4	0	0	0	115.5
1075	D	28.7	Very low	27.4	Very low	130 Å²	130	133.4 Å²	133.4	70%	0.695	74%	0.738	S	S	*	*			cis	-156.8	-159.7	-18.8	-140.6	1.8	0	0	0	108.1
1076	T	30.7	Very low	27.3	Very low	108 Å²	108	137.3 Å²	137.3	66%	0.663	74%	0.743	S	S	*	*			cis	-151.3	168.9	10	-21	0	0	0	0	111.1
1077	N	26.3	Very low	27.2	Very low	139 Å²	139	132.7 Å²	132.7	74%	0.743	73%	0.726	S	S	*	*			trans	-7.9	123.4	159.3	-59.8	-19.8	0	0	0	119.4
1078	D	28.4	Very low	27.2	Very low	162 Å²	162	135.2 Å²	135.2	87%	0.866	73%	0.727	S	S	*	*				-153.3	158	98.3	-148.1	-13.5	0	0	0	111.8
1079	S	26.3	Very low	27.2	Very low	90 Å²	90	135.7 Å²	135.7	63%	0.629	72%	0.724	S	S	*	*			trans	-118.8	113.5	-159.9	-63.2	0	0	0	0	114.9
1080	Q	25	Very low	27.2	Very low	184 Å²	184	136.3 Å²	136.3	86%	0.86	72%	0.722	S	S	*	*			trans	-170.6	141	148.4	-110.2	150.2	82.2	0	0	115.3
1081	L	24.2	Very low	27.6	Very low	156 Å²	156	135.1 Å²	135.1	82%	0.817	71%	0.713	S	S	*	*			trans	59.7	130	158.5	-71	159.2	0	0	0	119.7	K1083	L1081-K1083 PolarHBondContact O-N 3.03Å
1082	I	25.4	Very low	27.9	Very low	169 Å²	169	130.7 Å²	130.7	87%	0.867	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-66.3	121.6	-175	-61.4	165.3	0	0	0	110.5
1083	K	25.1	Very low	28.3	Very low	191 Å²	191	129.2 Å²	129.2	83%	0.83	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-72.4	122.4	177.8	-70.4	168.2	-178.4	161.1	0	110.4	L1081	L1081-K1083 PolarHBondContact O-N 3.03Å
1084	P	25.4	Very low	28.7	Very low	86 Å²	86	131.7 Å²	131.7	56%	0.558	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-64.2	139.3	177.7	25.3	-33.3	0	0	0	111.4	R1086	P1084-R1086 PolarHBondContact O-N 3.39Å
1085	K	26.4	Very low	29.1	Very low	158 Å²	158	128.5 Å²	128.5	69%	0.687	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-65.3	128.7	-177.9	-72.6	177.8	177.5	172.8	0	110.5	V1087	K1085-V1087 PolarHBondContact O-N 3Å
1086	R	26.2	Very low	29.8	Very low	209 Å²	209	124.9 Å²	124.9	79%	0.789	64%	0.644	S	S	*	*			trans	-70	106.8	177.1	-68.6	179.3	178.6	162.1	0.1	111.2	P1084	P1084-R1086 PolarHBondContact O-N 3.39Å
1087	V	26.1	Very low	30.5	Very low	63 Å²	63	122 Å²	122	38%	0.382	62%	0.624	S	S	.	*			trans	-90.7	106	174.3	-175	0	0	0	0	110.5	K1085 I1089	K1085-V1087 PolarHBondContact O-N 3Å; V1087-I1089 HydrophobicContact CG1-CG1 4.1Å; V1087-I1089 PolarHBondContact O-N 3.3Å
1088	H	28.8	Very low	31.3	Very low	143 Å²	143	119 Å²	119	66%	0.662	61%	0.607	S	S	*	*			trans	-87.4	88.1	178.3	-77.3	-77.7	0	0	0	112.1	L1090	H1088-L1090 PolarHBondContact O-N 3.38Å
1089	I	28.2	Very low	32.2	Very low	129 Å²	129	112.6 Å²	112.6	66%	0.662	58%	0.58	S	S	*	*			trans	-76.4	78.5	169	-51.3	-177.6	0	0	0	109.5	V1087 P1091	V1087-I1089 HydrophobicContact CG1-CG1 4.1Å; V1087-I1089 PolarHBondContact O-N 3.3Å; I1089-P1091 WeakPolarHBondContact O-CD 3.49Å
1090	L	29.7	Very low	33.5	Very low	141 Å²	141	110.7 Å²	110.7	74%	0.738	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-81.6	117.2	171.3	-74.9	167.8	0	0	0	109.7	H1088	H1088-L1090 PolarHBondContact O-N 3.38Å
1091	P	32.3	Very low	34.4	Very low	88 Å²	88	106 Å²	106	57%	0.571	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-59.5	140	161.2	27.5	-32.9	0	0	0	108.2	I1089 N1093	I1089-P1091 WeakPolarHBondContact O-CD 3.49Å; P1091-N1093 PolarHBondContact O-N 3.09Å
1092	P	36	Very low	35.6	Very low	32 Å²	32	101.1 Å²	101.1	21%	0.208	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-55.1	122.1	-177.1	21.5	-32	0	0	0	108.8	T1096 I1097	P1092-T1096 HydrophobicContact CB-CG2 4.47Å; P1092-I1097 HydrophobicContact CB-CG1 4.02Å; P1092-I1097 HydrophobicContact CG-CD1 4.22Å; P1092-I1097 HydrophobicContact CG-CG1 4.07Å; P1092-I1097 VanDerWaalsContact O-CD1 3.24Å; P1092-I1097 WeakPolarHBondContact O-CD1 3.44Å; P1092-I1097 WeakPolarHBondContact O-CG1 3.38Å
1093	N	36.4	Very low	36.9	Very low	90 Å²	90	96.9 Å²	96.9	48%	0.481	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-67.2	162.5	-167.3	85.4	36.2	0	0	0	110.2	P1091 S1095 T1096 I1097	P1091-N1093 PolarHBondContact O-N 3.09Å; N1093-S1095 PolarHBondContact O-N 3.35Å; N1093-S1095 VanDerWaalsContact O-N 3.13Å; N1093-S1095 VanDerWaalsContact OD1-CA 3.25Å; N1093-S1095 WeakPolarHBondContact OD1-CA 3.49Å; N1093-S1095 WeakPolarHBondContact OD1-CB 3.4Å; N1093-S1095 PolarHBondContact OD1-N 2.98Å; N1093-S1095 PolarHBondContact OD1-OG 2.79Å; N1093-T1096 PolarHBondContact N-OG1 2.84Å; N1093-T1096 PolarHBondContact ND2-OG1 3.47Å; N1093-T1096 CarbonylContact O-C 3.48Å; N1093-T1096 WeakPolarHBondContact O-CA 3.43Å; N1093-T1096 WeakPolarHBondContact O-CB 3.4Å; N1093-T1096 PolarHBondContact O-N 2.84Å; N1093-T1096 PolarHBondContact OD1-N 3.39Å; N1093-T1096 PolarHBondContact OD1-OG1 2.92Å; N1093-T1096 VanDerWaalsContact OD1-OG1 3.13Å; N1093-I1097 PolarHBondContact O-N 2.74Å
1094	Y	37.5	Very low	38.2	Very low	142 Å²	142	88.9 Å²	88.9	56%	0.557	46%	0.461	S	S	*	.	H	α-helix	trans	-60.7	-30.1	-173.5	-159.3	-105.8	0	0	0	112.4	L1098	Y1094-L1098 HydrophobicContact CD1-CD1 3.58Å; Y1094-L1098 HydrophobicContact CD1-CG 4.07Å; Y1094-L1098 HydrophobicContact CE1-CD1 3.67Å; Y1094-L1098 HydrophobicContact CE1-CD2 4.47Å; Y1094-L1098 HydrophobicContact CE1-CG 4.07Å; Y1094-L1098 WeakPolarHBondContact O-CB 3.25Å; Y1094-L1098 WeakPolarHBondContact O-CG 3.42Å; Y1094-L1098 PolarHBondContact O-N 3.48Å
1095	S	37.7	Very low	39.4	Very low	89 Å²	89	89.5 Å²	89.5	62%	0.622	46%	0.458	S	S	*	.	H	α-helix	trans	-71	-33.9	170.6	-37.1	0	0	0	0	112.9	N1093 G1099	N1093-S1095 PolarHBondContact O-N 3.35Å; N1093-S1095 VanDerWaalsContact O-N 3.13Å; N1093-S1095 VanDerWaalsContact OD1-CA 3.25Å; N1093-S1095 WeakPolarHBondContact OD1-CA 3.49Å; N1093-S1095 WeakPolarHBondContact OD1-CB 3.4Å; N1093-S1095 PolarHBondContact OD1-N 2.98Å; N1093-S1095 PolarHBondContact OD1-OG 2.79Å; S1095-G1099 WeakPolarHBondContact O-CA 3.31Å; S1095-G1099 PolarHBondContact O-N 3.45Å
1096	T	43.1	Very low	40.4	Very low	53 Å²	53	86.6 Å²	86.6	33%	0.325	45%	0.446	S	S	.	.	H	α-helix	trans	-69.9	-43	173.1	-36.2	0	0	0	0	111.4	P1092 N1093 G1099 F1100	P1092-T1096 HydrophobicContact CB-CG2 4.47Å; N1093-T1096 PolarHBondContact N-OG1 2.84Å; N1093-T1096 PolarHBondContact ND2-OG1 3.47Å; N1093-T1096 CarbonylContact O-C 3.48Å; N1093-T1096 WeakPolarHBondContact O-CA 3.43Å; N1093-T1096 WeakPolarHBondContact O-CB 3.4Å; N1093-T1096 PolarHBondContact O-N 2.84Å; N1093-T1096 PolarHBondContact OD1-N 3.39Å; N1093-T1096 PolarHBondContact OD1-OG1 2.92Å; N1093-T1096 VanDerWaalsContact OD1-OG1 3.13Å; T1096-G1099 PolarHBondContact O-N 3.04Å; T1096-F1100 HydrophobicContact CG2-CD2 4Å; T1096-F1100 HydrophobicContact CG2-CE2 3.8Å; T1096-F1100 WeakPolarHBondContact O-CD2 3.33Å; T1096-F1100 PolarHBondContact O-N 3.47Å
1097	I	45.7	Very low	41.6	Very low	47 Å²	47	77.4 Å²	77.4	24%	0.241	41%	0.413	C	S	.	.	H	α-helix	trans	-65.7	-45.4	174.2	-63.8	174.6	0	0	0	109.9	P1092 N1093 G1099 K1101 L1181 P1184	P1092-I1097 HydrophobicContact CB-CG1 4.02Å; P1092-I1097 HydrophobicContact CG-CD1 4.22Å; P1092-I1097 HydrophobicContact CG-CG1 4.07Å; P1092-I1097 VanDerWaalsContact O-CD1 3.24Å; P1092-I1097 WeakPolarHBondContact O-CD1 3.44Å; P1092-I1097 WeakPolarHBondContact O-CG1 3.38Å; N1093-I1097 PolarHBondContact O-N 2.74Å; I1097-G1099 VanDerWaalsContact C-N 3.27Å; I1097-G1099 PolarHBondContact O-N 2.78Å; I1097-K1101 WeakPolarHBondContact O-CB 3.45Å; I1097-K1101 PolarHBondContact O-N 2.81Å; I1097-L1181 HydrophobicContact CG2-CD2 4.1Å; I1097-P1184 HydrophobicContact CD1-CG 4.18Å
1098	L	43.9	Very low	42.6	Very low	77 Å²	77	76.6 Å²	76.6	40%	0.403	41%	0.409	S	S	.	.	H	α-helix	trans	-63.2	-32.9	172.7	-77.3	172.9	0	0	0	112.3	Y1094 S1102	Y1094-L1098 HydrophobicContact CD1-CD1 3.58Å; Y1094-L1098 HydrophobicContact CD1-CG 4.07Å; Y1094-L1098 HydrophobicContact CE1-CD1 3.67Å; Y1094-L1098 HydrophobicContact CE1-CD2 4.47Å; Y1094-L1098 HydrophobicContact CE1-CG 4.07Å; Y1094-L1098 WeakPolarHBondContact O-CB 3.25Å; Y1094-L1098 WeakPolarHBondContact O-CG 3.42Å; Y1094-L1098 PolarHBondContact O-N 3.48Å; L1098-S1102 VanDerWaalsContact O-CB 3.23Å; L1098-S1102 WeakPolarHBondContact O-CB 3.5Å; L1098-S1102 PolarHBondContact O-N 2.89Å; L1098-S1102 PolarHBondContact O-OG 3.46Å
1099	G	46.8	Very low	43.4	Very low	28 Å²	28	72.2 Å²	72.2	29%	0.289	39%	0.393	S	S	.	.	H	α-helix	trans	-71.1	-50.8	178.7	0	0	0	0	0	112.5	S1095 T1096 I1097 K1101 S1102 L1103	S1095-G1099 WeakPolarHBondContact O-CA 3.31Å; S1095-G1099 PolarHBondContact O-N 3.45Å; T1096-G1099 PolarHBondContact O-N 3.04Å; I1097-G1099 VanDerWaalsContact C-N 3.27Å; I1097-G1099 PolarHBondContact O-N 2.78Å; G1099-K1101 VanDerWaalsContact C-N 3.3Å; G1099-K1101 PolarHBondContact O-N 2.94Å; G1099-S1102 PolarHBondContact O-N 3.46Å; G1099-S1102 PolarHBondContact O-OG 3.44Å; G1099-L1103 WeakPolarHBondContact O-CB 3.36Å; G1099-L1103 PolarHBondContact O-N 3.35Å
1100	F	53.1	Low	44.3	Very low	50 Å²	50	70.8 Å²	70.8	22%	0.219	39%	0.386	C	S	.	.	H	α-helix	trans	-64	-37.6	171.9	-77.4	-62.7	0	0	0	111.8	T1096 L1103 L1104 F1173 L1180 L1181	T1096-F1100 HydrophobicContact CG2-CD2 4Å; T1096-F1100 HydrophobicContact CG2-CE2 3.8Å; T1096-F1100 WeakPolarHBondContact O-CD2 3.33Å; T1096-F1100 PolarHBondContact O-N 3.47Å; F1100-L1103 PolarHBondContact O-N 2.87Å; F1100-L1104 WeakPolarHBondContact O-CB 3.1Å; F1100-L1104 PolarHBondContact O-N 3.01Å; F1100-F1173 HydrophobicContact CE1-CE2 4.1Å; F1100-F1173 HydrophobicContact CE1-CZ 4.3Å; F1100-L1180 HydrophobicContact CE2-CD1 4.17Å; F1100-L1180 HydrophobicContact CZ-CD1 4.39Å; F1100-L1181 HydrophobicContact CB-CD1 4.01Å; F1100-L1181 HydrophobicContact CB-CD2 4.28Å; F1100-L1181 HydrophobicContact CB-CG 4Å
1101	K	44.9	Very low	45	Very low	86 Å²	86	66.7 Å²	66.7	37%	0.374	37%	0.365	S	S	.	.	H	α-helix	trans	-63.6	-41.5	173.6	179.2	-177.8	175	-172.1	0	111.3	I1097 G1099 M1105 L1181	I1097-K1101 WeakPolarHBondContact O-CB 3.45Å; I1097-K1101 PolarHBondContact O-N 2.81Å; G1099-K1101 VanDerWaalsContact C-N 3.3Å; G1099-K1101 PolarHBondContact O-N 2.94Å; K1101-M1105 HydrophobicContact CG-CG 3.98Å; K1101-M1105 WeakPolarHBondContact O-CB 3.49Å; K1101-M1105 WeakPolarHBondContact O-CG 3.19Å; K1101-M1105 PolarHBondContact O-N 3.32Å; K1101-L1181 HydrophobicContact CB-CD2 3.94Å
1102	S	48.1	Very low	45.8	Very low	53 Å²	53	66.5 Å²	66.5	37%	0.371	36%	0.356	S	S	.	.	H	α-helix	trans	-69.4	-42.9	177.1	73.1	0	0	0	0	110	L1098 G1099 L1104 M1105 H1106	L1098-S1102 VanDerWaalsContact O-CB 3.23Å; L1098-S1102 WeakPolarHBondContact O-CB 3.5Å; L1098-S1102 PolarHBondContact O-N 2.89Å; L1098-S1102 PolarHBondContact O-OG 3.46Å; G1099-S1102 PolarHBondContact O-N 3.46Å; G1099-S1102 PolarHBondContact O-OG 3.44Å; S1102-L1104 VanDerWaalsContact C-N 3.32Å; S1102-L1104 PolarHBondContact O-N 3.35Å; S1102-M1105 PolarHBondContact O-N 3.43Å; S1102-H1106 WeakPolarHBondContact O-CA 3.49Å; S1102-H1106 WeakPolarHBondContact O-CB 3.44Å; S1102-H1106 PolarHBondContact O-CD2 2.67Å; S1102-H1106 PolarHBondContact O-N 2.92Å
1103	L	52.8	Low	46.3	Very low	80 Å²	80	73.7 Å²	73.7	42%	0.419	38%	0.384	S	S	.	.	H	α-helix	trans	-56.9	-40.6	174.8	-118.8	158.4	0	0	0	113	G1099 F1100 L1107	G1099-L1103 WeakPolarHBondContact O-CB 3.36Å; G1099-L1103 PolarHBondContact O-N 3.35Å; F1100-L1103 PolarHBondContact O-N 2.87Å; L1103-L1107 WeakPolarHBondContact O-CA 3.32Å; L1103-L1107 WeakPolarHBondContact O-CB 3.24Å; L1103-L1107 PolarHBondContact O-N 2.83Å
1104	L	53.9	Low	46.7	Very low	23 Å²	23	73.7 Å²	73.7	12%	0.12	38%	0.381	C	S	.	.	H	α-helix	trans	-81.1	-42.4	177.6	-83.7	155	0	0	0	113.3	L1017 F1100 S1102 H1106 L1107 L1178 L1181	L1017-L1104 HydrophobicContact CD2-CD2 4Å; F1100-L1104 WeakPolarHBondContact O-CB 3.1Å; F1100-L1104 PolarHBondContact O-N 3.01Å; S1102-L1104 VanDerWaalsContact C-N 3.32Å; S1102-L1104 PolarHBondContact O-N 3.35Å; L1104-H1106 PolarHBondContact O-N 3.4Å; L1104-L1107 HydrophobicContact CD2-CD2 4.46Å; L1104-L1107 WeakPolarHBondContact O-CB 3.41Å; L1104-L1107 PolarHBondContact O-N 3.38Å; L1104-L1107 VanDerWaalsContact O-N 3.15Å; L1104-L1178 HydrophobicContact CD1-CD2 4.36Å; L1104-L1181 HydrophobicContact CD1-CD1 3.38Å
1105	M	49.6	Very low	47	Very low	99 Å²	99	74.4 Å²	74.4	49%	0.488	38%	0.383	S	S	.	.	H	α-helix	trans	-64.2	-27.5	173.2	-70.5	-71.9	-41.6	0	0	112.6	K1101 S1102 S1108	K1101-M1105 HydrophobicContact CG-CG 3.98Å; K1101-M1105 WeakPolarHBondContact O-CB 3.49Å; K1101-M1105 WeakPolarHBondContact O-CG 3.19Å; K1101-M1105 PolarHBondContact O-N 3.32Å; S1102-M1105 PolarHBondContact O-N 3.43Å; M1105-S1108 PolarHBondContact O-OG 3.2Å; M1105-S1108 VanDerWaalsContact O-OG 3.06Å
1106	H	48	Very low	47.4	Very low	97 Å²	97	73.9 Å²	73.9	45%	0.449	39%	0.392	S	S	.	.	H	α-helix	trans	-98.4	-1.3	175	-67.4	-60.9	0	0	0	113.4	S1102 L1104 S1108 T1109 L1110	S1102-H1106 WeakPolarHBondContact O-CA 3.49Å; S1102-H1106 WeakPolarHBondContact O-CB 3.44Å; S1102-H1106 PolarHBondContact O-CD2 2.67Å; S1102-H1106 PolarHBondContact O-N 2.92Å; L1104-H1106 PolarHBondContact O-N 3.4Å; H1106-S1108 VanDerWaalsContact C-N 3.27Å; H1106-S1108 PolarHBondContact O-N 2.87Å; H1106-T1109 WeakPolarHBondContact CA-OG1 3.3Å; H1106-T1109 WeakPolarHBondContact CB-OG1 3.24Å; H1106-T1109 PolarHBondContact ND1-OG1 2.96Å; H1106-T1109 CarbonylContact O-C 3.47Å; H1106-T1109 PolarHBondContact O-N 3.16Å; H1106-T1109 PolarHBondContact O-OG1 2.97Å; H1106-L1110 WeakPolarHBondContact O-CB 3.24Å; H1106-L1110 WeakPolarHBondContact O-CG 3.42Å; H1106-L1110 PolarHBondContact O-N 3.48Å
1107	L	50.8	Low	47.7	Very low	16 Å²	16	76.6 Å²	76.6	8%	0.084	40%	0.399	C	S	.	.	H	α-helix	trans	-60.7	-44.4	174.5	-154.5	80.2	0	0	0	109.7	L1103 L1104 L1110 L1111	L1103-L1107 WeakPolarHBondContact O-CA 3.32Å; L1103-L1107 WeakPolarHBondContact O-CB 3.24Å; L1103-L1107 PolarHBondContact O-N 2.83Å; L1104-L1107 HydrophobicContact CD2-CD2 4.46Å; L1104-L1107 WeakPolarHBondContact O-CB 3.41Å; L1104-L1107 PolarHBondContact O-N 3.38Å; L1104-L1107 VanDerWaalsContact O-N 3.15Å; L1107-L1110 PolarHBondContact O-N 3.35Å; L1107-L1111 WeakPolarHBondContact O-CB 3.5Å; L1107-L1111 WeakPolarHBondContact O-CD1 3.39Å; L1107-L1111 WeakPolarHBondContact O-CG 3.49Å; L1107-L1111 PolarHBondContact O-N 3.28Å
1108	S	46.6	Very low	47.3	Very low	45 Å²	45	77 Å²	77	32%	0.315	40%	0.399	S	S	.	.	H	α-helix	trans	-53.5	-56.8	165.8	55	0	0	0	0	110.7	M1105 H1106 L1110 L1111 E1112	M1105-S1108 PolarHBondContact O-OG 3.2Å; M1105-S1108 VanDerWaalsContact O-OG 3.06Å; H1106-S1108 VanDerWaalsContact C-N 3.27Å; H1106-S1108 PolarHBondContact O-N 2.87Å; S1108-L1110 PolarHBondContact O-N 2.91Å; S1108-L1110 VanDerWaalsContact O-N 3.14Å; S1108-L1111 CarbonylContact O-C 3.52Å; S1108-L1111 WeakPolarHBondContact O-CB 3.17Å; S1108-L1111 PolarHBondContact O-N 3.04Å; S1108-L1111 VanDerWaalsContact O-N 3.11Å; S1108-E1112 WeakPolarHBondContact O-CB 3.34Å; S1108-E1112 VanDerWaalsContact O-CG 3.27Å; S1108-E1112 WeakPolarHBondContact O-CG 3.17Å; S1108-E1112 PolarHBondContact O-N 2.88Å
1109	T	46.6	Very low	47.5	Very low	51 Å²	51	77.5 Å²	77.5	31%	0.313	41%	0.409	S	S	.	.	H	α-helix	trans	-65.6	-19.6	-176.7	66.3	0	0	0	0	115.2	H1106 K1113	H1106-T1109 WeakPolarHBondContact CA-OG1 3.3Å; H1106-T1109 WeakPolarHBondContact CB-OG1 3.24Å; H1106-T1109 PolarHBondContact ND1-OG1 2.96Å; H1106-T1109 CarbonylContact O-C 3.47Å; H1106-T1109 PolarHBondContact O-N 3.16Å; H1106-T1109 PolarHBondContact O-OG1 2.97Å; T1109-K1113 WeakPolarHBondContact O-CB 3.36Å; T1109-K1113 WeakPolarHBondContact O-CG 3.29Å; T1109-K1113 PolarHBondContact O-N 3.47Å
1110	L	45.8	Very low	47.5	Very low	99 Å²	99	80.1 Å²	80.1	52%	0.518	41%	0.414	S	S	.	.	H	α-helix	trans	-77.1	-48.1	171.5	-81.1	160.7	0	0	0	110.5	H1106 L1107 S1108 E1112 K1113 E1114	H1106-L1110 WeakPolarHBondContact O-CB 3.24Å; H1106-L1110 WeakPolarHBondContact O-CG 3.42Å; H1106-L1110 PolarHBondContact O-N 3.48Å; L1107-L1110 PolarHBondContact O-N 3.35Å; S1108-L1110 PolarHBondContact O-N 2.91Å; S1108-L1110 VanDerWaalsContact O-N 3.14Å; L1110-E1112 PolarHBondContact O-N 2.84Å; L1110-K1113 PolarHBondContact O-N 2.82Å; L1110-K1113 VanDerWaalsContact O-N 3.12Å; L1110-E1114 PolarHBondContact O-N 3.45Å; L1110-E1114 VanDerWaalsContact O-N 3.15Å
1111	L	46.2	Very low	47.1	Very low	55 Å²	55	79.3 Å²	79.3	29%	0.288	41%	0.41	S	S	.	.	H	α-helix	trans	-60.3	-33.3	170.5	-65.1	163.8	0	0	0	111.4	L1107 S1108 F1118 L1165	L1107-L1111 WeakPolarHBondContact O-CB 3.5Å; L1107-L1111 WeakPolarHBondContact O-CD1 3.39Å; L1107-L1111 WeakPolarHBondContact O-CG 3.49Å; L1107-L1111 PolarHBondContact O-N 3.28Å; S1108-L1111 CarbonylContact O-C 3.52Å; S1108-L1111 WeakPolarHBondContact O-CB 3.17Å; S1108-L1111 PolarHBondContact O-N 3.04Å; S1108-L1111 VanDerWaalsContact O-N 3.11Å; L1111-F1118 HydrophobicContact CD2-CE2 4.05Å; L1111-F1118 HydrophobicContact CD2-CZ 3.6Å; L1111-L1165 HydrophobicContact CD2-CD1 4.44Å
1112	E	47.5	Very low	47	Very low	84 Å²	84	78.9 Å²	78.9	39%	0.393	42%	0.415	S	S	.	.	H	α-helix	trans	-75.4	-28.5	174.4	-67.7	-171.3	129.1	0	0	113.3	S1108 L1110 R1115	S1108-E1112 WeakPolarHBondContact O-CB 3.34Å; S1108-E1112 VanDerWaalsContact O-CG 3.27Å; S1108-E1112 WeakPolarHBondContact O-CG 3.17Å; S1108-E1112 PolarHBondContact O-N 2.88Å; L1110-E1112 PolarHBondContact O-N 2.84Å; E1112-R1115 VanDerWaalsContact CG-CZ 3.49Å; E1112-R1115 WeakPolarHBondContact O-CB 3.35Å; E1112-R1115 WeakPolarHBondContact O-CD 3.3Å; E1112-R1115 VanDerWaalsContact O-CG 3.24Å; E1112-R1115 WeakPolarHBondContact O-CG 3.11Å; E1112-R1115 PolarHBondContact O-N 2.65Å; E1112-R1115 IonicContact OE1-CZ 2.97Å; E1112-R1115 IonicContact OE1-NH1 3.29Å; E1112-R1115 PolarHBondContact OE1-NH1 3.04Å; E1112-R1115 IonicContact OE1-NH2 2.72Å; E1112-R1115 PolarHBondContact OE1-NH2 3.27Å; E1112-R1115 IonicContact OE2-NH1 2.96Å
1113	K	48	Very low	46.9	Very low	184 Å²	184	80.6 Å²	80.6	80%	0.8	42%	0.417	S	S	*	.	H	α-helix	trans	-71.4	-31.9	172.4	-89.4	-173.7	172.2	-171.4	0	112.3	T1109 L1110 R1115	T1109-K1113 WeakPolarHBondContact O-CB 3.36Å; T1109-K1113 WeakPolarHBondContact O-CG 3.29Å; T1109-K1113 PolarHBondContact O-N 3.47Å; L1110-K1113 PolarHBondContact O-N 2.82Å; L1110-K1113 VanDerWaalsContact O-N 3.12Å; K1113-R1115 PolarHBondContact O-N 3.43Å
1114	E	44.6	Very low	46.4	Very low	89 Å²	89	77.8 Å²	77.8	42%	0.416	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-78.4	9.5	170.7	-74.8	-67	156.6	0	0	113.6	L1110 G1116 K1117 F1118	L1110-E1114 PolarHBondContact O-N 3.45Å; L1110-E1114 VanDerWaalsContact O-N 3.15Å; E1114-G1116 PolarHBondContact O-N 3.04Å; E1114-K1117 PolarHBondContact O-N 2.9Å; E1114-K1117 IonicContact OE1-NZ 2.74Å; E1114-K1117 PolarHBondContact OE1-NZ 3.02Å; E1114-K1117 WeakPolarHBondContact OE2-CD 3.42Å; E1114-K1117 WeakPolarHBondContact OE2-CE 3.04Å; E1114-K1117 IonicContact OE2-NZ 3.14Å; E1114-K1117 PolarHBondContact OE2-NZ 3.41Å; E1114-F1118 HydrophobicContact CB-CD2 3.89Å; E1114-F1118 HydrophobicContact CB-CE2 4.04Å; E1114-F1118 PolarHBondContact O-N 3.34Å
1115	R	42.7	Very low	45.8	Very low	157 Å²	157	84.2 Å²	84.2	59%	0.592	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-49.3	-32.9	179.4	-97	172.5	171.3	139.6	7.6	114.5	E1112 K1113 K1117 F1118	E1112-R1115 VanDerWaalsContact CG-CZ 3.49Å; E1112-R1115 WeakPolarHBondContact O-CB 3.35Å; E1112-R1115 WeakPolarHBondContact O-CD 3.3Å; E1112-R1115 VanDerWaalsContact O-CG 3.24Å; E1112-R1115 WeakPolarHBondContact O-CG 3.11Å; E1112-R1115 PolarHBondContact O-N 2.65Å; E1112-R1115 IonicContact OE1-CZ 2.97Å; E1112-R1115 IonicContact OE1-NH1 3.29Å; E1112-R1115 PolarHBondContact OE1-NH1 3.04Å; E1112-R1115 IonicContact OE1-NH2 2.72Å; E1112-R1115 PolarHBondContact OE1-NH2 3.27Å; E1112-R1115 IonicContact OE2-NH1 2.96Å; K1113-R1115 PolarHBondContact O-N 3.43Å; R1115-K1117 PolarHBondContact O-N 2.71Å; R1115-K1117 VanDerWaalsContact O-N 3.15Å; R1115-F1118 PolarHBondContact O-N 3Å
1116	G	46.8	Very low	45.6	Very low	79 Å²	79	87.6 Å²	87.6	81%	0.814	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-61.8	-15.8	177.4	0	0	0	0	0	115.3	E1114	E1114-G1116 PolarHBondContact O-N 3.04Å
1117	K	48.7	Very low	45.4	Very low	109 Å²	109	88.2 Å²	88.2	47%	0.474	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-9.4	177.1	-52.8	-179.2	-161.7	125.3	0	113.1	E1114 R1115 S1119	E1114-K1117 PolarHBondContact O-N 2.9Å; E1114-K1117 IonicContact OE1-NZ 2.74Å; E1114-K1117 PolarHBondContact OE1-NZ 3.02Å; E1114-K1117 WeakPolarHBondContact OE2-CD 3.42Å; E1114-K1117 WeakPolarHBondContact OE2-CE 3.04Å; E1114-K1117 IonicContact OE2-NZ 3.14Å; E1114-K1117 PolarHBondContact OE2-NZ 3.41Å; R1115-K1117 PolarHBondContact O-N 2.71Å; R1115-K1117 VanDerWaalsContact O-N 3.15Å; K1117-S1119 VanDerWaalsContact C-N 3.34Å; K1117-S1119 PolarHBondContact O-N 3.28Å
1118	F	39.1	Very low	45	Very low	57 Å²	57	92.1 Å²	92.1	25%	0.25	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-5	-168.2	-112.1	-90	0	0	0	115.3	L1111 E1114 R1115 Q1120 F1121	L1111-F1118 HydrophobicContact CD2-CE2 4.05Å; L1111-F1118 HydrophobicContact CD2-CZ 3.6Å; E1114-F1118 HydrophobicContact CB-CD2 3.89Å; E1114-F1118 HydrophobicContact CB-CE2 4.04Å; E1114-F1118 PolarHBondContact O-N 3.34Å; R1115-F1118 PolarHBondContact O-N 3Å; F1118-Q1120 VanDerWaalsContact C-N 3.26Å; F1118-Q1120 PolarHBondContact O-N 3.22Å; F1118-F1121 HydrophobicContact CD1-CB 3.47Å; F1118-F1121 VanDerWaalsContact CD1-CB 3.47Å; F1118-F1121 AromaticContact CD1-CD2 3.95Å; F1118-F1121 HydrophobicContact CD1-CD2 3.95Å; F1118-F1121 AromaticContact CD1-CG 3.75Å; F1118-F1121 HydrophobicContact CD1-CG 3.75Å; F1118-F1121 HydrophobicContact CE1-CB 3.74Å; F1118-F1121 AromaticContact CE1-CD1 3.91Å; F1118-F1121 HydrophobicContact CE1-CD1 3.91Å; F1118-F1121 AromaticContact CE1-CD2 3.63Å; F1118-F1121 HydrophobicContact CE1-CD2 3.63Å; F1118-F1121 HydrophobicContact CE1-CE1 4.42Å; F1118-F1121 HydrophobicContact CE1-CE2 4.18Å; F1118-F1121 AromaticContact CE1-CG 3.47Å; F1118-F1121 HydrophobicContact CE1-CG 3.47Å; F1118-F1121 VanDerWaalsContact CE1-CG 3.47Å; F1118-F1121 HydrophobicContact CE2-CD2 4.32Å; F1118-F1121 HydrophobicContact CG-CB 4.29Å; F1118-F1121 HydrophobicContact CG-CD2 4.42Å; F1118-F1121 AromaticContact CZ-CD2 3.82Å; F1118-F1121 HydrophobicContact CZ-CD2 3.82Å; F1118-F1121 AromaticContact CZ-CE2 3.98Å; F1118-F1121 HydrophobicContact CZ-CE2 3.98Å; F1118-F1121 HydrophobicContact CZ-CG 4.13Å; F1118-F1121 HydrophobicContact CZ-CZ 4.42Å; F1118-F1121 WeakPolarHBondContact O-CB 3.45Å; F1118-F1121 PolarHBondContact O-N 3.14Å; F1118-F1121 VanDerWaalsContact O-N 3.15Å
1119	S	46.5	Very low	44.8	Very low	87 Å²	87	94.9 Å²	94.9	61%	0.608	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-38.2	171.1	50.6	0	0	0	0	112	K1117 F1121 T1122	K1117-S1119 VanDerWaalsContact C-N 3.34Å; K1117-S1119 PolarHBondContact O-N 3.28Å; S1119-F1121 VanDerWaalsContact C-N 3.26Å; S1119-F1121 PolarHBondContact O-N 3.13Å; S1119-T1122 VanDerWaalsContact O-CB 3.3Å; S1119-T1122 WeakPolarHBondContact O-CB 3.33Å; S1119-T1122 PolarHBondContact O-N 3.3Å; S1119-T1122 VanDerWaalsContact O-N 3.11Å; S1119-T1122 PolarHBondContact O-OG1 3.26Å
1120	Q	47.2	Very low	44.6	Very low	82 Å²	82	95.5 Å²	95.5	38%	0.383	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-23.3	177.4	-62.1	-177.5	6.1	0	0	112.6	F1118 T1122 F1154 I1158	F1118-Q1120 VanDerWaalsContact C-N 3.26Å; F1118-Q1120 PolarHBondContact O-N 3.22Å; Q1120-T1122 PolarHBondContact O-N 2.74Å; Q1120-F1154 HydrophobicContact CB-CD1 4.33Å; Q1120-F1154 HydrophobicContact CB-CE1 4.32Å; Q1120-I1158 HydrophobicContact CB-CD1 3.99Å; Q1120-I1158 HydrophobicContact CG-CD1 4.44Å
1121	F	44.2	Very low	44.3	Very low	34 Å²	34	97 Å²	97	15%	0.149	48%	0.483	C	S	.	.	H	α-helix	trans	-68.7	-12.2	172.3	-112	-84.7	0	0	0	113.3	F1118 S1119 L1124 R1125 I1158 V1161 A1162 L1165	F1118-F1121 HydrophobicContact CD1-CB 3.47Å; F1118-F1121 VanDerWaalsContact CD1-CB 3.47Å; F1118-F1121 AromaticContact CD1-CD2 3.95Å; F1118-F1121 HydrophobicContact CD1-CD2 3.95Å; F1118-F1121 AromaticContact CD1-CG 3.75Å; F1118-F1121 HydrophobicContact CD1-CG 3.75Å; F1118-F1121 HydrophobicContact CE1-CB 3.74Å; F1118-F1121 AromaticContact CE1-CD1 3.91Å; F1118-F1121 HydrophobicContact CE1-CD1 3.91Å; F1118-F1121 AromaticContact CE1-CD2 3.63Å; F1118-F1121 HydrophobicContact CE1-CD2 3.63Å; F1118-F1121 HydrophobicContact CE1-CE1 4.42Å; F1118-F1121 HydrophobicContact CE1-CE2 4.18Å; F1118-F1121 AromaticContact CE1-CG 3.47Å; F1118-F1121 HydrophobicContact CE1-CG 3.47Å; F1118-F1121 VanDerWaalsContact CE1-CG 3.47Å; F1118-F1121 HydrophobicContact CE2-CD2 4.32Å; F1118-F1121 HydrophobicContact CG-CB 4.29Å; F1118-F1121 HydrophobicContact CG-CD2 4.42Å; F1118-F1121 AromaticContact CZ-CD2 3.82Å; F1118-F1121 HydrophobicContact CZ-CD2 3.82Å; F1118-F1121 AromaticContact CZ-CE2 3.98Å; F1118-F1121 HydrophobicContact CZ-CE2 3.98Å; F1118-F1121 HydrophobicContact CZ-CG 4.13Å; F1118-F1121 HydrophobicContact CZ-CZ 4.42Å; F1118-F1121 WeakPolarHBondContact O-CB 3.45Å; F1118-F1121 PolarHBondContact O-N 3.14Å; F1118-F1121 VanDerWaalsContact O-N 3.15Å; S1119-F1121 VanDerWaalsContact C-N 3.26Å; S1119-F1121 PolarHBondContact O-N 3.13Å; F1121-L1124 HydrophobicContact CD1-CB 4.46Å; F1121-L1124 HydrophobicContact CD1-CD1 4.37Å; F1121-L1124 HydrophobicContact CE1-CD1 4.42Å; F1121-L1124 HydrophobicContact CG-CD1 4.49Å; F1121-R1125 VanDerWaalsContact O-CB 3.29Å; F1121-R1125 WeakPolarHBondContact O-CB 3.32Å; F1121-R1125 PolarHBondContact O-N 2.74Å; F1121-I1158 HydrophobicContact CD2-CG2 4.17Å; F1121-I1158 HydrophobicContact CE2-CG2 4.04Å; F1121-V1161 HydrophobicContact CE2-CB 4.45Å; F1121-V1161 HydrophobicContact CE2-CG1 3.98Å; F1121-V1161 HydrophobicContact CZ-CG1 4.08Å; F1121-A1162 HydrophobicContact CZ-CB 4.12Å; F1121-L1165 HydrophobicContact CZ-CD1 4.23Å
1122	T	44.3	Very low	43.7	Very low	77 Å²	77	100.5 Å²	100.5	47%	0.472	51%	0.509	S	S	.	.	H	α-helix	trans	-74.5	-29.5	-179.9	-32.5	0	0	0	0	112.6	S1119 Q1120 R1125 R1126	S1119-T1122 VanDerWaalsContact O-CB 3.3Å; S1119-T1122 WeakPolarHBondContact O-CB 3.33Å; S1119-T1122 PolarHBondContact O-N 3.3Å; S1119-T1122 VanDerWaalsContact O-N 3.11Å; S1119-T1122 PolarHBondContact O-OG1 3.26Å; Q1120-T1122 PolarHBondContact O-N 2.74Å; T1122-R1125 WeakPolarHBondContact O-CB 3.23Å; T1122-R1126 PolarHBondContact O-N 3.44Å
1123	E	44.5	Very low	43.2	Very low	89 Å²	89	100.3 Å²	100.3	42%	0.416	53%	0.529	S	S	.	.	H	α-helix	trans	-76.3	-44.1	171.4	-71.4	-52	138.1	0	0	111.8	R1125 R1126 L1127 F1154	E1123-R1125 PolarHBondContact O-N 2.83Å; E1123-R1126 WeakPolarHBondContact O-CA 3.4Å; E1123-R1126 WeakPolarHBondContact O-CB 3.49Å; E1123-R1126 PolarHBondContact O-N 2.86Å; E1123-R1126 IonicContact OE1-CZ 2.95Å; E1123-R1126 IonicContact OE1-NH1 2.6Å; E1123-R1126 PolarHBondContact OE1-NH1 3.13Å; E1123-R1126 WeakPolarHBondContact OE2-CD 3.49Å; E1123-R1126 IonicContact OE2-NH1 2.96Å; E1123-R1126 PolarHBondContact OE2-NH1 3.5Å; E1123-L1127 PolarHBondContact O-N 2.85Å; E1123-F1154 HydrophobicContact CB-CZ 4.1Å
1124	L	42.6	Very low	42.7	Very low	20 Å²	20	98.9 Å²	98.9	11%	0.105	53%	0.525	C	S	.	.	H	α-helix	trans	-54.1	-37.9	170.1	-75.1	169.4	0	0	0	111.3	F1121 R1126 L1127 F1128 I1158	F1121-L1124 HydrophobicContact CD1-CB 4.46Å; F1121-L1124 HydrophobicContact CD1-CD1 4.37Å; F1121-L1124 HydrophobicContact CE1-CD1 4.42Å; F1121-L1124 HydrophobicContact CG-CD1 4.49Å; L1124-R1126 VanDerWaalsContact C-N 3.31Å; L1124-R1126 PolarHBondContact O-N 2.84Å; L1124-L1127 PolarHBondContact O-N 2.88Å; L1124-F1128 HydrophobicContact CB-CD2 4.29Å; L1124-F1128 HydrophobicContact CB-CE2 4.09Å; L1124-F1128 HydrophobicContact CD2-CE2 4.34Å; L1124-F1128 WeakPolarHBondContact O-CD2 3.13Å; L1124-F1128 PolarHBondContact O-N 2.92Å; L1124-I1158 HydrophobicContact CD1-CG2 3.9Å
1125	R	42.6	Very low	42.4	Very low	159 Å²	159	100.7 Å²	100.7	60%	0.6	54%	0.543	S	S	*	.	H	α-helix	trans	-65.1	-27.3	174.3	-176.1	176.3	179	173.5	-0.3	113.9	F1121 T1122 E1123 C1129	F1121-R1125 VanDerWaalsContact O-CB 3.29Å; F1121-R1125 WeakPolarHBondContact O-CB 3.32Å; F1121-R1125 PolarHBondContact O-N 2.74Å; T1122-R1125 WeakPolarHBondContact O-CB 3.23Å; E1123-R1125 PolarHBondContact O-N 2.83Å; R1125-C1129 WeakPolarHBondContact O-CB 3.23Å; R1125-C1129 PolarHBondContact O-N 3.29Å; R1125-C1129 PolarHBondContact O-SG 3.17Å; R1125-C1129 VanDerWaalsContact O-SG 3.34Å
1126	R	44.6	Very low	42.7	Very low	170 Å²	170	97 Å²	97	64%	0.642	53%	0.534	S	S	*	.	H	α-helix	trans	-69	-46.8	170.9	-74.2	167.2	161.5	174.6	-5.2	110.5	T1122 E1123 L1124 C1129	T1122-R1126 PolarHBondContact O-N 3.44Å; E1123-R1126 WeakPolarHBondContact O-CA 3.4Å; E1123-R1126 WeakPolarHBondContact O-CB 3.49Å; E1123-R1126 PolarHBondContact O-N 2.86Å; E1123-R1126 IonicContact OE1-CZ 2.95Å; E1123-R1126 IonicContact OE1-NH1 2.6Å; E1123-R1126 PolarHBondContact OE1-NH1 3.13Å; E1123-R1126 WeakPolarHBondContact OE2-CD 3.49Å; E1123-R1126 IonicContact OE2-NH1 2.96Å; E1123-R1126 PolarHBondContact OE2-NH1 3.5Å; L1124-R1126 VanDerWaalsContact C-N 3.31Å; L1124-R1126 PolarHBondContact O-N 2.84Å; R1126-C1129 PolarHBondContact O-N 3.28Å
1127	L	43.3	Very low	42.9	Very low	109 Å²	109	96.3 Å²	96.3	57%	0.571	51%	0.514	S	S	*	.	H	α-helix	trans	-59.8	-47.1	175.1	-69.7	166.1	0	0	0	112.3	E1123 L1124 C1129 A1130	E1123-L1127 PolarHBondContact O-N 2.85Å; L1124-L1127 PolarHBondContact O-N 2.88Å; L1127-C1129 PolarHBondContact O-N 3.13Å; L1127-A1130 WeakPolarHBondContact O-CB 3.37Å; L1127-A1130 PolarHBondContact O-N 3.44Å
1128	F	42	Very low	42.9	Very low	99 Å²	99	96.8 Å²	96.8	43%	0.434	52%	0.522	S	S	.	.	H	α-helix	trans	-69.4	-14.5	178.8	-70.4	-57.2	0	0	0	114.8	L1124 F1141 L1166	L1124-F1128 HydrophobicContact CB-CD2 4.29Å; L1124-F1128 HydrophobicContact CB-CE2 4.09Å; L1124-F1128 HydrophobicContact CD2-CE2 4.34Å; L1124-F1128 WeakPolarHBondContact O-CD2 3.13Å; L1124-F1128 PolarHBondContact O-N 2.92Å; F1128-F1141 HydrophobicContact CE1-CE2 4.42Å; F1128-L1166 HydrophobicContact CE1-CD1 3.74Å; F1128-L1166 HydrophobicContact CE2-CD1 4.14Å; F1128-L1166 HydrophobicContact CZ-CD1 3.35Å
1129	C	42.4	Very low	43.7	Very low	102 Å²	102	101.4 Å²	101.4	69%	0.689	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-7.8	174	-81.2	0	0	0	0	113.9	R1125 R1126 L1127	R1125-C1129 WeakPolarHBondContact O-CB 3.23Å; R1125-C1129 PolarHBondContact O-N 3.29Å; R1125-C1129 PolarHBondContact O-SG 3.17Å; R1125-C1129 VanDerWaalsContact O-SG 3.34Å; R1126-C1129 PolarHBondContact O-N 3.28Å; L1127-C1129 PolarHBondContact O-N 3.13Å
1130	A	43.8	Very low	44.3	Very low	65 Å²	65	101.7 Å²	101.7	54%	0.537	54%	0.536	S	S	.	.	S	Bend	trans	-83.5	-16.2	-175.1	0	0	0	0	0	115.2	L1127 P1132	L1127-A1130 WeakPolarHBondContact O-CB 3.37Å; L1127-A1130 PolarHBondContact O-N 3.44Å; A1130-P1132 VanDerWaalsContact O-CD 3.31Å; A1130-P1132 WeakPolarHBondContact O-CD 3.15Å
1131	Y	39.5	Very low	44.5	Very low	131 Å²	131	100 Å²	100	51%	0.514	53%	0.527	S	S	.	.			trans	-122.8	80.8	-168.8	-68.5	-88.9	0	0	0	114.2	G1133	Y1131-G1133 PolarHBondContact O-N 2.93Å
1132	P	32.1	Very low	45.2	Very low	128 Å²	128	100.9 Å²	100.9	83%	0.831	53%	0.532	S	S	*	.	S	Bend	trans	-85.1	97.2	173.3	33.5	-32.6	0	0	0	112.2	A1130	A1130-P1132 VanDerWaalsContact O-CD 3.31Å; A1130-P1132 WeakPolarHBondContact O-CD 3.15Å
1133	G	37.5	Very low	46.1	Very low	79 Å²	79	102.2 Å²	102.2	81%	0.814	53%	0.533	S	S	*	.	S	Bend	trans	117.3	1.4	156.2	0	0	0	0	0	118.7	Y1131	Y1131-G1133 PolarHBondContact O-N 2.93Å
1134	Q	37.9	Very low	46.6	Very low	154 Å²	154	102.8 Å²	102.8	72%	0.72	53%	0.534	S	S	*	.			trans	-91.9	145.8	172.3	-75.4	174.8	-34.4	0	0	112.2	I1136	Q1134-I1136 PolarHBondContact O-N 3.06Å
1135	T	37.5	Very low	47.3	Very low	128 Å²	128	102.6 Å²	102.6	79%	0.785	53%	0.533	S	S	*	.			trans	-87.2	86.2	172.2	46.9	0	0	0	0	109.8	T1137	T1135-T1137 PolarHBondContact O-N 2.78Å
1136	I	48.9	Very low	48.2	Very low	78 Å²	78	101.4 Å²	101.4	40%	0.4	53%	0.528	S	S	.	.			trans	-59.9	129.7	170.2	-55.3	176.4	0	0	0	108.1	Q1134 E1140 F1141	Q1134-I1136 PolarHBondContact O-N 3.06Å; I1136-E1140 VanDerWaalsContact CA-OE2 3.27Å; I1136-E1140 WeakPolarHBondContact CA-OE2 3.24Å; I1136-E1140 HydrophobicContact CG2-CB 3.66Å; I1136-F1141 HydrophobicContact CG2-CB 4.04Å
1137	T	51.8	Low	49	Very low	65 Å²	65	97.9 Å²	97.9	40%	0.399	52%	0.519	S	S	.	.			trans	-75	159.6	175.5	71	0	0	0	0	111.2	T1135 E1139 E1140 F1141	T1135-T1137 PolarHBondContact O-N 2.78Å; T1137-E1139 PolarHBondContact O-N 3.28Å; T1137-E1139 PolarHBondContact OG1-N 3.49Å; T1137-E1140 PolarHBondContact N-OE2 2.97Å; T1137-E1140 PolarHBondContact O-N 2.92Å; T1137-E1140 WeakPolarHBondContact OG1-CG 3.39Å; T1137-E1140 PolarHBondContact OG1-N 3.35Å; T1137-F1141 WeakPolarHBondContact O-CB 3.21Å; T1137-F1141 PolarHBondContact O-N 3.31Å
1138	D	49.6	Very low	49.4	Very low	120 Å²	120	94.1 Å²	94.1	64%	0.642	50%	0.504	S	S	*	.	H	α-helix	trans	-58.5	-29.6	173.7	-74.5	-26	0	0	0	111.1	E1142	D1138-E1142 VanDerWaalsContact O-CB 3.32Å; D1138-E1142 WeakPolarHBondContact O-CB 3.41Å; D1138-E1142 WeakPolarHBondContact O-CG 3.28Å; D1138-E1142 PolarHBondContact O-N 2.86Å
1139	E	55.7	Low	50	Low	154 Å²	154	93.9 Å²	93.9	72%	0.72	50%	0.504	S	S	*	.	H	α-helix	trans	-73.1	-46.5	176.6	-62.2	175.9	154.1	0	0	112.8	T1137 F1141 E1142 Q1143	T1137-E1139 PolarHBondContact O-N 3.28Å; T1137-E1139 PolarHBondContact OG1-N 3.49Å; E1139-F1141 VanDerWaalsContact C-N 3.3Å; E1139-F1141 PolarHBondContact O-N 2.82Å; E1139-E1142 PolarHBondContact O-N 2.81Å; E1139-Q1143 WeakPolarHBondContact O-CB 3.32Å; E1139-Q1143 PolarHBondContact O-N 3.38Å
1140	E	57.8	Low	50.5	Low	93 Å²	93	93.2 Å²	93.2	44%	0.435	50%	0.5	S	S	.	.	H	α-helix	trans	-63.2	-36.9	174.1	-74.3	177	142.8	0	0	111.7	I1136 T1137 K1144	I1136-E1140 VanDerWaalsContact CA-OE2 3.27Å; I1136-E1140 WeakPolarHBondContact CA-OE2 3.24Å; I1136-E1140 HydrophobicContact CG2-CB 3.66Å; T1137-E1140 PolarHBondContact N-OE2 2.97Å; T1137-E1140 PolarHBondContact O-N 2.92Å; T1137-E1140 WeakPolarHBondContact OG1-CG 3.39Å; T1137-E1140 PolarHBondContact OG1-N 3.35Å; E1140-K1144 WeakPolarHBondContact O-CB 3.44Å; E1140-K1144 PolarHBondContact O-N 2.85Å
1141	F	51.6	Low	50.9	Low	46 Å²	46	93.9 Å²	93.9	20%	0.202	50%	0.498	C	S	.	.	H	α-helix	trans	-66.1	-48.4	175.8	178.3	-105.2	0	0	0	111.1	F1128 I1136 T1137 E1139 Q1143 K1144 L1145 L1166	F1128-F1141 HydrophobicContact CE1-CE2 4.42Å; I1136-F1141 HydrophobicContact CG2-CB 4.04Å; T1137-F1141 WeakPolarHBondContact O-CB 3.21Å; T1137-F1141 PolarHBondContact O-N 3.31Å; E1139-F1141 VanDerWaalsContact C-N 3.3Å; E1139-F1141 PolarHBondContact O-N 2.82Å; F1141-Q1143 VanDerWaalsContact C-N 3.33Å; F1141-Q1143 PolarHBondContact O-N 2.99Å; F1141-K1144 PolarHBondContact O-N 2.65Å; F1141-L1145 HydrophobicContact CE1-CD1 3.98Å; F1141-L1145 HydrophobicContact CE2-CD1 4.1Å; F1141-L1145 HydrophobicContact CZ-CD1 3.68Å; F1141-L1145 WeakPolarHBondContact O-CB 3.5Å; F1141-L1145 PolarHBondContact O-N 3.03Å; F1141-L1166 HydrophobicContact CE2-CD1 3.86Å; F1141-L1166 HydrophobicContact CZ-CB 4.29Å; F1141-L1166 HydrophobicContact CZ-CD1 3.69Å
1142	E	58.7	Low	50.9	Low	53 Å²	53	94.3 Å²	94.3	25%	0.248	51%	0.514	C	S	.	.	H	α-helix	trans	-66.8	-31	176.3	-78.9	-73	152.5	0	0	112.6	D1138 E1139 L1145 R1146 R1163	D1138-E1142 VanDerWaalsContact O-CB 3.32Å; D1138-E1142 WeakPolarHBondContact O-CB 3.41Å; D1138-E1142 WeakPolarHBondContact O-CG 3.28Å; D1138-E1142 PolarHBondContact O-N 2.86Å; E1139-E1142 PolarHBondContact O-N 2.81Å; E1142-L1145 WeakPolarHBondContact O-CB 3.32Å; E1142-L1145 PolarHBondContact O-N 2.74Å; E1142-R1146 WeakPolarHBondContact O-CG 3.45Å; E1142-R1146 PolarHBondContact O-N 2.88Å; E1142-R1146 PolarHBondContact O-NH1 2.81Å; E1142-R1163 IonicContact OE1-CZ 2.8Å; E1142-R1163 VanDerWaalsContact OE1-CZ 3.29Å; E1142-R1163 IonicContact OE1-NE 3.24Å; E1142-R1163 PolarHBondContact OE1-NE 2.77Å; E1142-R1163 IonicContact OE1-NH2 2.68Å; E1142-R1163 PolarHBondContact OE1-NH2 3.17Å; E1142-R1163 IonicContact OE2-CZ 3.77Å; E1142-R1163 IonicContact OE2-NH2 2.72Å; E1142-R1163 PolarHBondContact OE2-NH2 3.1Å
1143	Q	64.5	Low	51.7	Low	105 Å²	105	95.2 Å²	95.2	49%	0.491	51%	0.509	S	S	.	.	H	α-helix	trans	-66.7	-49	172.2	179.4	169.4	-23.8	0	0	111.6	E1139 F1141 L1145 R1146 E1147	E1139-Q1143 WeakPolarHBondContact O-CB 3.32Å; E1139-Q1143 PolarHBondContact O-N 3.38Å; F1141-Q1143 VanDerWaalsContact C-N 3.33Å; F1141-Q1143 PolarHBondContact O-N 2.99Å; Q1143-L1145 PolarHBondContact O-N 3.18Å; Q1143-R1146 PolarHBondContact O-N 3.15Å; Q1143-R1146 VanDerWaalsContact O-N 3.1Å; Q1143-E1147 WeakPolarHBondContact CG-OE1 3.04Å; Q1143-E1147 PolarHBondContact NE2-OE1 3.02Å; Q1143-E1147 WeakPolarHBondContact O-CG 3.3Å; Q1143-E1147 PolarHBondContact O-N 2.87Å
1144	K	54.2	Low	52	Low	100 Å²	100	94 Å²	94	44%	0.435	48%	0.482	S	S	.	.	H	α-helix	trans	-66.8	-23.2	174.7	-72.9	178.4	176.8	175.4	0	112.8	E1140 F1141 A1148	E1140-K1144 WeakPolarHBondContact O-CB 3.44Å; E1140-K1144 PolarHBondContact O-N 2.85Å; F1141-K1144 PolarHBondContact O-N 2.65Å; K1144-A1148 WeakPolarHBondContact O-CB 3.41Å; K1144-A1148 PolarHBondContact O-N 3.25Å; K1144-A1148 VanDerWaalsContact O-N 3.08Å
1145	L	57.3	Low	52.8	Low	16 Å²	16	88.4 Å²	88.4	8%	0.084	47%	0.465	C	S	.	.	H	α-helix	trans	-67.4	-47.5	168.3	-132	80.4	0	0	0	111.3	F1141 E1142 Q1143 E1147 A1148 E1149 F1159 R1163	F1141-L1145 HydrophobicContact CE1-CD1 3.98Å; F1141-L1145 HydrophobicContact CE2-CD1 4.1Å; F1141-L1145 HydrophobicContact CZ-CD1 3.68Å; F1141-L1145 WeakPolarHBondContact O-CB 3.5Å; F1141-L1145 PolarHBondContact O-N 3.03Å; E1142-L1145 WeakPolarHBondContact O-CB 3.32Å; E1142-L1145 PolarHBondContact O-N 2.74Å; Q1143-L1145 PolarHBondContact O-N 3.18Å; L1145-E1147 VanDerWaalsContact C-N 3.34Å; L1145-E1147 PolarHBondContact O-N 2.87Å; L1145-A1148 CarbonylContact O-C 3.55Å; L1145-A1148 PolarHBondContact O-N 3.29Å; L1145-A1148 VanDerWaalsContact O-N 3.16Å; L1145-E1149 WeakPolarHBondContact O-CB 3.12Å; L1145-E1149 WeakPolarHBondContact O-CG 3.4Å; L1145-E1149 PolarHBondContact O-N 3.05Å; L1145-F1159 HydrophobicContact CD1-CD1 4.35Å; L1145-F1159 HydrophobicContact CD1-CE1 4.45Å; L1145-F1159 HydrophobicContact CD2-CD1 4.14Å; L1145-F1159 HydrophobicContact CG-CD1 3.96Å; L1145-F1159 HydrophobicContact CG-CE1 4.05Å; L1145-R1163 VanDerWaalsContact CD2-CZ 3.48Å
1146	R	60.5	Low	53.4	Low	134 Å²	134	92.4 Å²	92.4	51%	0.506	47%	0.466	S	S	.	.	H	α-helix	trans	-62.5	-39.2	176.7	-72.8	-178.5	-68.1	-90.1	5.3	112.5	E1142 Q1143 E1149 S1150	E1142-R1146 WeakPolarHBondContact O-CG 3.45Å; E1142-R1146 PolarHBondContact O-N 2.88Å; E1142-R1146 PolarHBondContact O-NH1 2.81Å; Q1143-R1146 PolarHBondContact O-N 3.15Å; Q1143-R1146 VanDerWaalsContact O-N 3.1Å; R1146-E1149 PolarHBondContact O-N 3.41Å; R1146-S1150 PolarHBondContact O-N 2.85Å
1147	E	61.3	Low	53.4	Low	97 Å²	97	92.6 Å²	92.6	45%	0.453	47%	0.472	S	S	.	.	H	α-helix	trans	-58.9	-48	171.5	-70.1	164	-167.2	0	0	110.6	Q1143 L1145 S1150	Q1143-E1147 WeakPolarHBondContact CG-OE1 3.04Å; Q1143-E1147 PolarHBondContact NE2-OE1 3.02Å; Q1143-E1147 WeakPolarHBondContact O-CG 3.3Å; Q1143-E1147 PolarHBondContact O-N 2.87Å; L1145-E1147 VanDerWaalsContact C-N 3.34Å; L1145-E1147 PolarHBondContact O-N 2.87Å; E1147-S1150 WeakPolarHBondContact O-CB 3.31Å; E1147-S1150 PolarHBondContact O-N 3.16Å; E1147-S1150 PolarHBondContact O-OG 3.38Å
1148	A	52.9	Low	53.2	Low	29 Å²	29	90.2 Å²	90.2	24%	0.24	46%	0.457	C	S	.	.	H	α-helix	trans	-70.6	-28.7	178.3	0	0	0	0	0	114.7	K1144 L1145 S1150 T1151 F1159	K1144-A1148 WeakPolarHBondContact O-CB 3.41Å; K1144-A1148 PolarHBondContact O-N 3.25Å; K1144-A1148 VanDerWaalsContact O-N 3.08Å; L1145-A1148 CarbonylContact O-C 3.55Å; L1145-A1148 PolarHBondContact O-N 3.29Å; L1145-A1148 VanDerWaalsContact O-N 3.16Å; A1148-S1150 PolarHBondContact O-N 3.36Å; A1148-T1151 PolarHBondContact O-N 3.13Å; A1148-T1151 PolarHBondContact O-OG1 3.19Å; A1148-F1159 HydrophobicContact CB-CE1 4.38Å; A1148-F1159 HydrophobicContact CB-CZ 4.33Å
1149	E	54.1	Low	53.3	Low	95 Å²	95	85.3 Å²	85.3	44%	0.444	43%	0.429	S	S	.	.	H	α-helix	trans	-66.4	-23.9	173.7	-79.3	177.8	165.9	0	0	112	L1145 R1146 F1159	L1145-E1149 WeakPolarHBondContact O-CB 3.12Å; L1145-E1149 WeakPolarHBondContact O-CG 3.4Å; L1145-E1149 PolarHBondContact O-N 3.05Å; R1146-E1149 PolarHBondContact O-N 3.41Å; E1149-F1159 HydrophobicContact CB-CZ 4.49Å; E1149-F1159 HydrophobicContact CG-CD1 4.41Å; E1149-F1159 HydrophobicContact CG-CD2 4.34Å; E1149-F1159 HydrophobicContact CG-CE1 3.99Å; E1149-F1159 HydrophobicContact CG-CE2 3.9Å; E1149-F1159 HydrophobicContact CG-CZ 3.71Å
1150	S	53.6	Low	53.2	Low	87 Å²	87	82.3 Å²	82.3	61%	0.608	42%	0.418	S	S	*	.	H	α-helix	trans	-73	-30.9	173.8	77.7	0	0	0	0	113.3	R1146 E1147 A1148 T1152	R1146-S1150 PolarHBondContact O-N 2.85Å; E1147-S1150 WeakPolarHBondContact O-CB 3.31Å; E1147-S1150 PolarHBondContact O-N 3.16Å; E1147-S1150 PolarHBondContact O-OG 3.38Å; A1148-S1150 PolarHBondContact O-N 3.36Å; S1150-T1152 PolarHBondContact O-N 3.34Å; S1150-T1152 VanDerWaalsContact O-N 3.09Å
1151	T	52	Low	52.8	Low	79 Å²	79	80.9 Å²	80.9	49%	0.485	42%	0.416	S	S	.	.	S	Bend	trans	-88.8	61.8	-174.4	46.3	0	0	0	0	113.6	A1148 M1153	A1148-T1151 PolarHBondContact O-N 3.13Å; A1148-T1151 PolarHBondContact O-OG1 3.19Å; T1151-M1153 PolarHBondContact O-N 3.45Å
1152	T	40	Very low	52.8	Low	141 Å²	141	79 Å²	79	87%	0.865	41%	0.409	S	S	*	.	S	Bend	trans	41.5	3.8	146.1	55.8	0	0	0	0	122.9	S1150	S1150-T1152 PolarHBondContact O-N 3.34Å; S1150-T1152 VanDerWaalsContact O-N 3.09Å
1153	M	49.2	Very low	52.4	Low	147 Å²	147	80.3 Å²	80.3	72%	0.724	41%	0.412	S	S	*	.			trans	-118	-9	-168.8	-84.9	-161.1	163.4	0	0	117.1	T1151	T1151-M1153 PolarHBondContact O-N 3.45Å
1154	F	43.3	Very low	51.9	Low	54 Å²	54	79 Å²	79	24%	0.237	41%	0.41	C	S	.	.			trans	-129.2	131.1	-170.6	-58.9	-74.9	0	0	0	113.6	Q1120 E1123 F1159	Q1120-F1154 HydrophobicContact CB-CD1 4.33Å; Q1120-F1154 HydrophobicContact CB-CE1 4.32Å; E1123-F1154 HydrophobicContact CB-CZ 4.1Å; F1154-F1159 HydrophobicContact CB-CD2 4.17Å; F1154-F1159 HydrophobicContact CB-CE2 3.59Å; F1154-F1159 HydrophobicContact CB-CZ 4.17Å
1155	G	54	Low	51.7	Low	35 Å²	35	76.4 Å²	76.4	36%	0.361	40%	0.401	S	S	.	.			trans	-78.6	142	176.9	0	0	0	0	0	113.4	P1157 I1158	G1155-P1157 VanDerWaalsContact C-N 3.33Å; G1155-P1157 WeakPolarHBondContact O-CD 3.43Å; G1155-I1158 PolarHBondContact O-N 2.74Å
1156	R	49.6	Very low	51.3	Low	213 Å²	213	78.4 Å²	78.4	80%	0.804	41%	0.412	S	S	*	.	H	α-helix	trans	-36.2	-46	174.4	-74.3	-176.3	173.7	179.2	-1.7	116.2	I1158 F1159 N1160	R1156-I1158 VanDerWaalsContact C-N 3.25Å; R1156-I1158 PolarHBondContact O-N 2.82Å; R1156-F1159 PolarHBondContact O-N 3.38Å; R1156-N1160 PolarHBondContact O-N 3.43Å
1157	P	49.5	Very low	51	Low	82 Å²	82	73.9 Å²	73.9	53%	0.532	40%	0.401	S	S	.	.	H	α-helix	trans	-61	-28.5	179.1	21.9	-34.5	0	0	0	114.5	G1155 N1160 V1161	G1155-P1157 VanDerWaalsContact C-N 3.33Å; G1155-P1157 WeakPolarHBondContact O-CD 3.43Å; P1157-N1160 PolarHBondContact O-N 2.91Å; P1157-V1161 WeakPolarHBondContact O-CG2 3.44Å; P1157-V1161 PolarHBondContact O-N 3.15Å
1158	I	48.7	Very low	50.5	Low	15 Å²	15	72.8 Å²	72.8	8%	0.077	40%	0.404	C	S	.	.	H	α-helix	trans	-77.9	-40.2	179.2	-71.8	161.1	0	0	0	111	Q1120 F1121 L1124 G1155 R1156 N1160 V1161 A1162	Q1120-I1158 HydrophobicContact CB-CD1 3.99Å; Q1120-I1158 HydrophobicContact CG-CD1 4.44Å; F1121-I1158 HydrophobicContact CD2-CG2 4.17Å; F1121-I1158 HydrophobicContact CE2-CG2 4.04Å; L1124-I1158 HydrophobicContact CD1-CG2 3.9Å; G1155-I1158 PolarHBondContact O-N 2.74Å; R1156-I1158 VanDerWaalsContact C-N 3.25Å; R1156-I1158 PolarHBondContact O-N 2.82Å; I1158-N1160 VanDerWaalsContact C-N 3.3Å; I1158-N1160 PolarHBondContact O-N 3.35Å; I1158-V1161 PolarHBondContact O-N 2.72Å; I1158-A1162 WeakPolarHBondContact O-CB 3.02Å; I1158-A1162 PolarHBondContact O-N 2.89Å
1159	F	51.8	Low	50.4	Low	16 Å²	16	79.8 Å²	79.8	7%	0.07	43%	0.429	C	S	.	.	H	α-helix	trans	-58.1	-42.2	167	-79.8	-72.2	0	0	0	111.5	L1145 A1148 E1149 F1154 R1156 V1161 A1162 R1163	L1145-F1159 HydrophobicContact CD1-CD1 4.35Å; L1145-F1159 HydrophobicContact CD1-CE1 4.45Å; L1145-F1159 HydrophobicContact CD2-CD1 4.14Å; L1145-F1159 HydrophobicContact CG-CD1 3.96Å; L1145-F1159 HydrophobicContact CG-CE1 4.05Å; A1148-F1159 HydrophobicContact CB-CE1 4.38Å; A1148-F1159 HydrophobicContact CB-CZ 4.33Å; E1149-F1159 HydrophobicContact CB-CZ 4.49Å; E1149-F1159 HydrophobicContact CG-CD1 4.41Å; E1149-F1159 HydrophobicContact CG-CD2 4.34Å; E1149-F1159 HydrophobicContact CG-CE1 3.99Å; E1149-F1159 HydrophobicContact CG-CE2 3.9Å; E1149-F1159 HydrophobicContact CG-CZ 3.71Å; F1154-F1159 HydrophobicContact CB-CD2 4.17Å; F1154-F1159 HydrophobicContact CB-CE2 3.59Å; F1154-F1159 HydrophobicContact CB-CZ 4.17Å; R1156-F1159 PolarHBondContact O-N 3.38Å; F1159-V1161 PolarHBondContact O-N 3.25Å; F1159-A1162 PolarHBondContact O-N 2.84Å; F1159-R1163 WeakPolarHBondContact O-CB 3.23Å; F1159-R1163 PolarHBondContact O-N 2.88Å
1160	N	52.2	Low	50.3	Low	91 Å²	91	77.4 Å²	77.4	49%	0.487	42%	0.416	S	S	.	.	H	α-helix	trans	-64.1	-40.6	176.8	-72.3	-10.8	0	0	0	112.9	R1156 P1157 I1158 T1164	R1156-N1160 PolarHBondContact O-N 3.43Å; P1157-N1160 PolarHBondContact O-N 2.91Å; I1158-N1160 VanDerWaalsContact C-N 3.3Å; I1158-N1160 PolarHBondContact O-N 3.35Å; N1160-T1164 VanDerWaalsContact O-CB 3.28Å; N1160-T1164 WeakPolarHBondContact O-CB 3.37Å; N1160-T1164 PolarHBondContact O-N 2.81Å; N1160-T1164 PolarHBondContact O-OG1 2.75Å
1161	V	50.3	Low	50.2	Low	63 Å²	63	75.6 Å²	75.6	38%	0.382	40%	0.401	S	S	.	.	H	α-helix	trans	-67.1	-42.8	174.4	170.8	0	0	0	0	111	F1121 P1157 I1158 F1159 T1164 L1165	F1121-V1161 HydrophobicContact CE2-CB 4.45Å; F1121-V1161 HydrophobicContact CE2-CG1 3.98Å; F1121-V1161 HydrophobicContact CZ-CG1 4.08Å; P1157-V1161 WeakPolarHBondContact O-CG2 3.44Å; P1157-V1161 PolarHBondContact O-N 3.15Å; I1158-V1161 PolarHBondContact O-N 2.72Å; F1159-V1161 PolarHBondContact O-N 3.25Å; V1161-T1164 PolarHBondContact O-N 3.44Å; V1161-L1165 HydrophobicContact CG1-CD1 3.78Å; V1161-L1165 HydrophobicContact CG1-CG 4.21Å; V1161-L1165 WeakPolarHBondContact O-CB 3.36Å; V1161-L1165 VanDerWaalsContact O-CG 3.26Å; V1161-L1165 WeakPolarHBondContact O-CG 3.31Å; V1161-L1165 PolarHBondContact O-N 2.71Å
1162	A	50.7	Low	50.2	Low	6 Å²	6	73.4 Å²	73.4	5%	0.05	39%	0.386	C	S	.	.	H	α-helix	trans	-62.9	-50.6	176.3	0	0	0	0	0	112.2	F1121 I1158 F1159 T1164 L1165 L1166	F1121-A1162 HydrophobicContact CZ-CB 4.12Å; I1158-A1162 WeakPolarHBondContact O-CB 3.02Å; I1158-A1162 PolarHBondContact O-N 2.89Å; F1159-A1162 PolarHBondContact O-N 2.84Å; A1162-T1164 VanDerWaalsContact C-N 3.25Å; A1162-T1164 PolarHBondContact O-N 3.5Å; A1162-L1165 PolarHBondContact O-N 3.35Å; A1162-L1166 WeakPolarHBondContact O-CB 3.27Å; A1162-L1166 WeakPolarHBondContact O-CG 3.37Å; A1162-L1166 PolarHBondContact O-N 3.24Å
1163	R	51.4	Low	51.1	Low	82 Å²	82	70.4 Å²	70.4	31%	0.309	36%	0.362	S	S	.	.	H	α-helix	trans	-58	-37	175.1	-172.4	-178.8	-97.4	134.5	-12.1	111.2	E1142 L1145 F1159 S1167	E1142-R1163 IonicContact OE1-CZ 2.8Å; E1142-R1163 VanDerWaalsContact OE1-CZ 3.29Å; E1142-R1163 IonicContact OE1-NE 3.24Å; E1142-R1163 PolarHBondContact OE1-NE 2.77Å; E1142-R1163 IonicContact OE1-NH2 2.68Å; E1142-R1163 PolarHBondContact OE1-NH2 3.17Å; E1142-R1163 IonicContact OE2-CZ 3.77Å; E1142-R1163 IonicContact OE2-NH2 2.72Å; E1142-R1163 PolarHBondContact OE2-NH2 3.1Å; L1145-R1163 VanDerWaalsContact CD2-CZ 3.48Å; F1159-R1163 WeakPolarHBondContact O-CB 3.23Å; F1159-R1163 PolarHBondContact O-N 2.88Å; R1163-S1167 VanDerWaalsContact O-CB 3.3Å; R1163-S1167 WeakPolarHBondContact O-CB 3.39Å; R1163-S1167 PolarHBondContact O-N 2.73Å
1164	T	53	Low	51.4	Low	76 Å²	76	63.5 Å²	63.5	47%	0.466	33%	0.328	S	S	.	.	H	α-helix	trans	-66.4	-55.8	172.9	-57.9	0	0	0	0	111.5	N1160 V1161 A1162 L1166 S1167 Y1170	N1160-T1164 VanDerWaalsContact O-CB 3.28Å; N1160-T1164 WeakPolarHBondContact O-CB 3.37Å; N1160-T1164 PolarHBondContact O-N 2.81Å; N1160-T1164 PolarHBondContact O-OG1 2.75Å; V1161-T1164 PolarHBondContact O-N 3.44Å; A1162-T1164 VanDerWaalsContact C-N 3.25Å; A1162-T1164 PolarHBondContact O-N 3.5Å; T1164-L1166 PolarHBondContact O-N 3.45Å; T1164-S1167 PolarHBondContact O-N 2.86Å; T1164-S1167 PolarHBondContact O-OG 3.38Å; T1164-Y1170 HydrophobicContact CG2-CD2 4.38Å; T1164-Y1170 WeakPolarHBondContact O-CB 3.25Å
1165	L	50.4	Low	51.7	Low	46 Å²	46	63.9 Å²	63.9	24%	0.241	33%	0.332	C	S	.	.	H	α-helix	trans	-61.7	-27.6	-176.4	-71.2	175	0	0	0	113.7	L1111 F1121 V1161 A1162 Y1170	L1111-L1165 HydrophobicContact CD2-CD1 4.44Å; F1121-L1165 HydrophobicContact CZ-CD1 4.23Å; V1161-L1165 HydrophobicContact CG1-CD1 3.78Å; V1161-L1165 HydrophobicContact CG1-CG 4.21Å; V1161-L1165 WeakPolarHBondContact O-CB 3.36Å; V1161-L1165 VanDerWaalsContact O-CG 3.26Å; V1161-L1165 WeakPolarHBondContact O-CG 3.31Å; V1161-L1165 PolarHBondContact O-N 2.71Å; A1162-L1165 PolarHBondContact O-N 3.35Å; L1165-Y1170 HydrophobicContact CD2-CD1 4.33Å; L1165-Y1170 HydrophobicContact CD2-CE1 3.51Å; L1165-Y1170 WeakPolarHBondContact CD2-OH 3.17Å; L1165-Y1170 WeakPolarHBondContact O-CD1 3.38Å
1166	L	49.7	Very low	51.7	Low	58 Å²	58	69.2 Å²	69.2	30%	0.304	34%	0.341	S	S	.	.	H	α-helix	trans	-96.6	-15.1	-179.7	-67	163.8	0	0	0	113.6	F1128 F1141 A1162 T1164	F1128-L1166 HydrophobicContact CE1-CD1 3.74Å; F1128-L1166 HydrophobicContact CE2-CD1 4.14Å; F1128-L1166 HydrophobicContact CZ-CD1 3.35Å; F1141-L1166 HydrophobicContact CE2-CD1 3.86Å; F1141-L1166 HydrophobicContact CZ-CB 4.29Å; F1141-L1166 HydrophobicContact CZ-CD1 3.69Å; A1162-L1166 WeakPolarHBondContact O-CB 3.27Å; A1162-L1166 WeakPolarHBondContact O-CG 3.37Å; A1162-L1166 PolarHBondContact O-N 3.24Å; T1164-L1166 PolarHBondContact O-N 3.45Å
1167	S	53.3	Low	51.9	Low	39 Å²	39	59.1 Å²	59.1	27%	0.273	30%	0.304	S	S	.	.	S	Bend	trans	-55	145.4	-178.3	65.9	0	0	0	0	112.9	R1163 T1164 K1169 Y1170 T1171	R1163-S1167 VanDerWaalsContact O-CB 3.3Å; R1163-S1167 WeakPolarHBondContact O-CB 3.39Å; R1163-S1167 PolarHBondContact O-N 2.73Å; T1164-S1167 PolarHBondContact O-N 2.86Å; T1164-S1167 PolarHBondContact O-OG 3.38Å; S1167-K1169 PolarHBondContact O-N 3.16Å; S1167-Y1170 PolarHBondContact O-N 3.29Å; S1167-Y1170 VanDerWaalsContact O-N 3.12Å; S1167-Y1170 WeakPolarHBondContact OG-CB 3.11Å; S1167-Y1170 PolarHBondContact OG-N 3.28Å; S1167-Y1170 VanDerWaalsContact OG-N 3.08Å; S1167-T1171 PolarHBondContact O-N 3.13Å; S1167-T1171 PolarHBondContact O-OG1 2.81Å
1168	S	51.1	Low	52.1	Low	74 Å²	74	56 Å²	56	52%	0.517	28%	0.283	S	S	.	.	H	α-helix	trans	-53	-38.5	170.5	56.2	0	0	0	0	111.9	T1171 D1172	S1168-T1171 WeakPolarHBondContact CA-OG1 3.37Å; S1168-T1171 PolarHBondContact O-OG1 3.07Å; S1168-D1172 WeakPolarHBondContact O-CB 3.15Å; S1168-D1172 PolarHBondContact O-N 3.19Å
1169	K	49.8	Very low	52.3	Low	177 Å²	177	55.6 Å²	55.6	77%	0.77	28%	0.281	S	S	*	.	H	α-helix	trans	-62.9	-43.6	176.2	-65.3	-179.3	-179.2	176.1	0	113	S1167 F1173	S1167-K1169 PolarHBondContact O-N 3.16Å; K1169-F1173 WeakPolarHBondContact O-CB 3.18Å; K1169-F1173 PolarHBondContact O-N 3.21Å
1170	Y	51.8	Low	52.3	Low	45 Å²	45	57.6 Å²	57.6	18%	0.176	29%	0.292	C	S	.	.	H	α-helix	trans	-78.8	-38.6	-178.6	-174.7	-96.1	0	0	0	112.8	T1164 L1165 S1167 D1172 F1173 I1174	T1164-Y1170 HydrophobicContact CG2-CD2 4.38Å; T1164-Y1170 WeakPolarHBondContact O-CB 3.25Å; L1165-Y1170 HydrophobicContact CD2-CD1 4.33Å; L1165-Y1170 HydrophobicContact CD2-CE1 3.51Å; L1165-Y1170 WeakPolarHBondContact CD2-OH 3.17Å; L1165-Y1170 WeakPolarHBondContact O-CD1 3.38Å; S1167-Y1170 PolarHBondContact O-N 3.29Å; S1167-Y1170 VanDerWaalsContact O-N 3.12Å; S1167-Y1170 WeakPolarHBondContact OG-CB 3.11Å; S1167-Y1170 PolarHBondContact OG-N 3.28Å; S1167-Y1170 VanDerWaalsContact OG-N 3.08Å; Y1170-D1172 VanDerWaalsContact C-N 3.33Å; Y1170-F1173 WeakPolarHBondContact O-CB 3.41Å; Y1170-F1173 PolarHBondContact O-N 3.38Å; Y1170-I1174 HydrophobicContact CD1-CD1 3.99Å; Y1170-I1174 HydrophobicContact CD1-CG1 4.44Å; Y1170-I1174 HydrophobicContact CE1-CD1 3.38Å; Y1170-I1174 HydrophobicContact CE1-CG1 4.09Å; Y1170-I1174 PolarHBondContact O-N 3.06Å
1171	T	52.1	Low	52.3	Low	48 Å²	48	55.2 Å²	55.2	29%	0.294	28%	0.279	S	S	.	.	H	α-helix	trans	-64.4	-39.4	172.9	51.9	0	0	0	0	111.1	S1167 S1168 I1174 N1175	S1167-T1171 PolarHBondContact O-N 3.13Å; S1167-T1171 PolarHBondContact O-OG1 2.81Å; S1168-T1171 WeakPolarHBondContact CA-OG1 3.37Å; S1168-T1171 PolarHBondContact O-OG1 3.07Å; T1171-I1174 PolarHBondContact O-N 3.15Å; T1171-N1175 WeakPolarHBondContact O-CB 3.44Å; T1171-N1175 PolarHBondContact O-N 3.33Å; T1171-N1175 PolarHBondContact O-ND2 3.43Å; T1171-N1175 VanDerWaalsContact O-ND2 3.15Å
1172	D	52.9	Low	52.4	Low	33 Å²	33	52.7 Å²	52.7	18%	0.176	26%	0.263	C	S	.	.	H	α-helix	trans	-71.5	-29.9	172.4	-160.6	41.9	0	0	0	112.8	R1035 S1168 Y1170 N1175 R1176	R1035-D1172 IonicContact CZ-OD1 2.74Å; R1035-D1172 IonicContact NE-OD1 2.69Å; R1035-D1172 IonicContact NH2-OD1 2.68Å; R1035-D1172 PolarHBondContact NH2-OD1 2.87Å; R1035-D1172 IonicContact NH2-OD2 3.13Å; S1168-D1172 WeakPolarHBondContact O-CB 3.15Å; S1168-D1172 PolarHBondContact O-N 3.19Å; Y1170-D1172 VanDerWaalsContact C-N 3.33Å; D1172-N1175 PolarHBondContact O-N 2.95Å; D1172-R1176 VanDerWaalsContact O-CB 3.31Å; D1172-R1176 WeakPolarHBondContact O-CB 3.13Å; D1172-R1176 WeakPolarHBondContact O-CG 3.22Å; D1172-R1176 PolarHBondContact O-N 3.14Å; D1172-R1176 IonicContact OD1-NE 3.33Å; D1172-R1176 IonicContact OD2-CZ 2.84Å; D1172-R1176 IonicContact OD2-NE 3.13Å; D1172-R1176 PolarHBondContact OD2-NE 3.36Å; D1172-R1176 IonicContact OD2-NH2 2.65Å; D1172-R1176 PolarHBondContact OD2-NH2 3.26Å
1173	F	57.3	Low	52.2	Low	78 Å²	78	55 Å²	55	34%	0.342	27%	0.271	S	S	.	.	H	α-helix	trans	-62.3	-44.6	167.5	170	-94.6	0	0	0	112.2	F1100 K1169 Y1170 R1176 S1177	F1100-F1173 HydrophobicContact CE1-CE2 4.1Å; F1100-F1173 HydrophobicContact CE1-CZ 4.3Å; K1169-F1173 WeakPolarHBondContact O-CB 3.18Å; K1169-F1173 PolarHBondContact O-N 3.21Å; Y1170-F1173 WeakPolarHBondContact O-CB 3.41Å; Y1170-F1173 PolarHBondContact O-N 3.38Å; F1173-R1176 PolarHBondContact O-N 3.46Å; F1173-S1177 WeakPolarHBondContact O-CB 3.36Å; F1173-S1177 PolarHBondContact O-N 2.77Å; F1173-S1177 PolarHBondContact O-OG 3.24Å
1174	I	55.9	Low	51.8	Low	3 Å²	3	53.6 Å²	53.6	2%	0.015	27%	0.272	C	S	.	.	H	α-helix	trans	-62.9	-43.9	173.8	-74.3	-178.7	0	0	0	110.3	I1021 Y1170 T1171 R1176 S1177 L1178	I1021-I1174 HydrophobicContact CD1-CD1 3.9Å; I1021-I1174 HydrophobicContact CG2-CG2 4.43Å; Y1170-I1174 HydrophobicContact CD1-CD1 3.99Å; Y1170-I1174 HydrophobicContact CD1-CG1 4.44Å; Y1170-I1174 HydrophobicContact CE1-CD1 3.38Å; Y1170-I1174 HydrophobicContact CE1-CG1 4.09Å; Y1170-I1174 PolarHBondContact O-N 3.06Å; T1171-I1174 PolarHBondContact O-N 3.15Å; I1174-R1176 PolarHBondContact O-N 2.95Å; I1174-S1177 WeakPolarHBondContact CA-OG 3.33Å; I1174-S1177 PolarHBondContact O-N 3.33Å; I1174-S1177 PolarHBondContact O-OG 2.74Å; I1174-L1178 HydrophobicContact CG2-CD1 3.65Å; I1174-L1178 HydrophobicContact CG2-CG 4.2Å; I1174-L1178 VanDerWaalsContact O-CB 3.23Å; I1174-L1178 WeakPolarHBondContact O-CB 3.42Å; I1174-L1178 WeakPolarHBondContact O-CG 3.48Å; I1174-L1178 PolarHBondContact O-N 3.42Å
1175	N	50.8	Low	51.3	Low	62 Å²	62	50.5 Å²	50.5	33%	0.332	26%	0.255	S	S	.	.	H	α-helix	trans	-62.6	-44	177.5	-68.7	-31.4	0	0	0	112.1	T1171 D1172 A1179	T1171-N1175 WeakPolarHBondContact O-CB 3.44Å; T1171-N1175 PolarHBondContact O-N 3.33Å; T1171-N1175 PolarHBondContact O-ND2 3.43Å; T1171-N1175 VanDerWaalsContact O-ND2 3.15Å; D1172-N1175 PolarHBondContact O-N 2.95Å; N1175-A1179 WeakPolarHBondContact O-CB 3.22Å; N1175-A1179 PolarHBondContact O-N 2.83Å
1176	R	53.3	Low	50.9	Low	146 Å²	146	49.6 Å²	49.6	55%	0.551	25%	0.25	S	S	*	.	H	α-helix	trans	-65.9	-43.8	176.4	-71.3	171.2	-165.3	-141.7	8	112.1	D1172 F1173 I1174 A1179 L1180	D1172-R1176 VanDerWaalsContact O-CB 3.31Å; D1172-R1176 WeakPolarHBondContact O-CB 3.13Å; D1172-R1176 WeakPolarHBondContact O-CG 3.22Å; D1172-R1176 PolarHBondContact O-N 3.14Å; D1172-R1176 IonicContact OD1-NE 3.33Å; D1172-R1176 IonicContact OD2-CZ 2.84Å; D1172-R1176 IonicContact OD2-NE 3.13Å; D1172-R1176 PolarHBondContact OD2-NE 3.36Å; D1172-R1176 IonicContact OD2-NH2 2.65Å; D1172-R1176 PolarHBondContact OD2-NH2 3.26Å; F1173-R1176 PolarHBondContact O-N 3.46Å; I1174-R1176 PolarHBondContact O-N 2.95Å; R1176-A1179 PolarHBondContact O-N 3.49Å; R1176-L1180 WeakPolarHBondContact O-CB 3.36Å; R1176-L1180 VanDerWaalsContact O-CG 3.28Å; R1176-L1180 WeakPolarHBondContact O-CG 3.48Å; R1176-L1180 PolarHBondContact O-N 3.37Å
1177	S	53.1	Low	50.5	Low	2 Å²	2	51.2 Å²	51.2	1%	0.014	26%	0.258	C	S	.	.	H	α-helix	trans	-74	-37.8	-178.7	56.2	0	0	0	0	112.9	F1173 I1174 L1180 L1181	F1173-S1177 WeakPolarHBondContact O-CB 3.36Å; F1173-S1177 PolarHBondContact O-N 2.77Å; F1173-S1177 PolarHBondContact O-OG 3.24Å; I1174-S1177 WeakPolarHBondContact CA-OG 3.33Å; I1174-S1177 PolarHBondContact O-N 3.33Å; I1174-S1177 PolarHBondContact O-OG 2.74Å; S1177-L1180 PolarHBondContact O-N 3.12Å; S1177-L1181 WeakPolarHBondContact O-CB 3.26Å; S1177-L1181 PolarHBondContact O-N 2.95Å
1178	L	55.1	Low	49.7	Very low	17 Å²	17	52.9 Å²	52.9	9%	0.089	28%	0.275	C	S	.	.	H	α-helix	trans	-61.6	-45.5	166.8	-76.1	173.6	0	0	0	110.9	L1017 L1025 L1104 I1174 L1180 L1181 L1182	L1017-L1178 HydrophobicContact CD1-CD1 3.8Å; L1017-L1178 HydrophobicContact CD1-CD2 4.22Å; L1017-L1178 HydrophobicContact CD2-CD1 4.2Å; L1017-L1178 HydrophobicContact CD2-CD2 4.32Å; L1025-L1178 HydrophobicContact CD1-CD1 3.73Å; L1104-L1178 HydrophobicContact CD1-CD2 4.36Å; I1174-L1178 HydrophobicContact CG2-CD1 3.65Å; I1174-L1178 HydrophobicContact CG2-CG 4.2Å; I1174-L1178 VanDerWaalsContact O-CB 3.23Å; I1174-L1178 WeakPolarHBondContact O-CB 3.42Å; I1174-L1178 WeakPolarHBondContact O-CG 3.48Å; I1174-L1178 PolarHBondContact O-N 3.42Å; L1178-L1180 VanDerWaalsContact C-N 3.34Å; L1178-L1180 PolarHBondContact O-N 3.38Å; L1178-L1181 PolarHBondContact O-N 3.1Å; L1178-L1182 WeakPolarHBondContact O-CB 3.31Å; L1178-L1182 WeakPolarHBondContact O-CG 3.32Å; L1178-L1182 PolarHBondContact O-N 3.24Å
1179	A	51.4	Low	49	Very low	5 Å²	5	51.2 Å²	51.2	4%	0.041	26%	0.262	C	S	.	.	H	α-helix	trans	-62.5	-39.3	176.9	0	0	0	0	0	112.1	I1039 N1175 R1176 L1182 W1183	I1039-A1179 HydrophobicContact CD1-CB 3.37Å; N1175-A1179 WeakPolarHBondContact O-CB 3.22Å; N1175-A1179 PolarHBondContact O-N 2.83Å; R1176-A1179 PolarHBondContact O-N 3.49Å; A1179-L1182 CarbonylContact O-C 3.6Å; A1179-W1183 WeakPolarHBondContact O-CA 3.49Å; A1179-W1183 WeakPolarHBondContact O-CB 3.46Å; A1179-W1183 PolarHBondContact O-N 3.44Å
1180	L	51.8	Low	48.1	Very low	59 Å²	59	45.8 Å²	45.8	31%	0.309	24%	0.24	S	C	.	.	H	α-helix	trans	-69.5	-35.5	176.2	-76.5	166.4	0	0	0	113.6	F1100 R1176 S1177 L1178 P1184	F1100-L1180 HydrophobicContact CE2-CD1 4.17Å; F1100-L1180 HydrophobicContact CZ-CD1 4.39Å; R1176-L1180 WeakPolarHBondContact O-CB 3.36Å; R1176-L1180 VanDerWaalsContact O-CG 3.28Å; R1176-L1180 WeakPolarHBondContact O-CG 3.48Å; R1176-L1180 PolarHBondContact O-N 3.37Å; S1177-L1180 PolarHBondContact O-N 3.12Å; L1178-L1180 VanDerWaalsContact C-N 3.34Å; L1178-L1180 PolarHBondContact O-N 3.38Å; L1180-P1184 VanDerWaalsContact O-CD 3.24Å; L1180-P1184 WeakPolarHBondContact O-CD 3.16Å
1181	L	52.9	Low	47.2	Very low	41 Å²	41	45.8 Å²	45.8	22%	0.215	25%	0.246	C	C	.	.	H	α-helix	trans	-73.9	-37.3	173.7	-82.9	165.9	0	0	0	112.5	I1097 F1100 K1101 L1104 S1177 L1178 W1183	I1097-L1181 HydrophobicContact CG2-CD2 4.1Å; F1100-L1181 HydrophobicContact CB-CD1 4.01Å; F1100-L1181 HydrophobicContact CB-CD2 4.28Å; F1100-L1181 HydrophobicContact CB-CG 4Å; K1101-L1181 HydrophobicContact CB-CD2 3.94Å; L1104-L1181 HydrophobicContact CD1-CD1 3.38Å; S1177-L1181 WeakPolarHBondContact O-CB 3.26Å; S1177-L1181 PolarHBondContact O-N 2.95Å; L1178-L1181 PolarHBondContact O-N 3.1Å; L1181-W1183 VanDerWaalsContact C-N 3.33Å
1182	L	52.3	Low	46.2	Very low	9 Å²	9	46.7 Å²	46.7	5%	0.047	26%	0.258	C	S	.	.	H	α-helix	trans	-80.4	-14.9	175.5	-63.1	178.8	0	0	0	111.8	L987 I1013 I1032 L1178 A1179 A1185 L1186	L987-L1182 HydrophobicContact CD1-CD1 4.29Å; L987-L1182 HydrophobicContact CD1-CD2 3.97Å; L987-L1182 HydrophobicContact CD2-CD2 4.42Å; L987-L1182 HydrophobicContact CG-CD2 4.32Å; I1013-L1182 HydrophobicContact CD1-CD2 4.45Å; I1032-L1182 HydrophobicContact CD1-CD1 4.46Å; I1032-L1182 HydrophobicContact CG2-CD1 3.89Å; L1178-L1182 WeakPolarHBondContact O-CB 3.31Å; L1178-L1182 WeakPolarHBondContact O-CG 3.32Å; L1178-L1182 PolarHBondContact O-N 3.24Å; A1179-L1182 CarbonylContact O-C 3.6Å; L1182-A1185 CarbonylContact O-C 3.53Å; L1182-A1185 WeakPolarHBondContact O-CA 3.41Å; L1182-A1185 WeakPolarHBondContact O-CB 3.41Å; L1182-A1185 PolarHBondContact O-N 2.86Å; L1182-A1185 VanDerWaalsContact O-N 3.09Å; L1182-L1186 HydrophobicContact CB-CD1 3.81Å; L1182-L1186 HydrophobicContact CB-CG 4.31Å; L1182-L1186 WeakPolarHBondContact O-CA 3.32Å; L1182-L1186 WeakPolarHBondContact O-CB 3.21Å; L1182-L1186 VanDerWaalsContact O-CG 3.29Å; L1182-L1186 WeakPolarHBondContact O-CG 3.21Å; L1182-L1186 PolarHBondContact O-N 2.9Å
1183	W	47.3	Very low	45.4	Very low	54 Å²	54	49.4 Å²	49.4	21%	0.205	27%	0.268	C	S	.	.	H	α-helix	trans	-58.4	-52.6	-178.6	172.5	-105.2	0	0	0	112.7	I1039 A1040 A1179 L1181 A1185 L1186 L1187	I1039-W1183 HydrophobicContact CG2-CE3 4.15Å; I1039-W1183 HydrophobicContact CG2-CZ3 4.22Å; A1040-W1183 HydrophobicContact CB-CH2 3.8Å; A1040-W1183 HydrophobicContact CB-CZ3 3.8Å; A1179-W1183 WeakPolarHBondContact O-CA 3.49Å; A1179-W1183 WeakPolarHBondContact O-CB 3.46Å; A1179-W1183 PolarHBondContact O-N 3.44Å; L1181-W1183 VanDerWaalsContact C-N 3.33Å; W1183-A1185 VanDerWaalsContact C-N 3.31Å; W1183-A1185 PolarHBondContact O-N 3.17Å; W1183-L1186 PolarHBondContact O-N 3.32Å; W1183-L1187 HydrophobicContact CD2-CD1 4.06Å; W1183-L1187 HydrophobicContact CD2-CG 4.37Å; W1183-L1187 HydrophobicContact CG-CD1 4.31Å; W1183-L1187 HydrophobicContact CH2-CD2 4.46Å; W1183-L1187 HydrophobicContact CZ2-CD1 3.89Å; W1183-L1187 HydrophobicContact CZ2-CD2 4.42Å; W1183-L1187 HydrophobicContact CZ2-CG 4.42Å; W1183-L1187 WeakPolarHBondContact O-CB 3.48Å; W1183-L1187 WeakPolarHBondContact O-CG 3.49Å; W1183-L1187 PolarHBondContact O-N 3.44Å
1184	P	42.9	Very low	44.2	Very low	53 Å²	53	46.2 Å²	46.2	34%	0.344	26%	0.255	S	S	.	.	H	α-helix	trans	-63.3	-34.4	171.7	-21.8	33.4	0	0	0	113.3	I1097 L1180 L1186 A1188	I1097-P1184 HydrophobicContact CD1-CG 4.18Å; L1180-P1184 VanDerWaalsContact O-CD 3.24Å; L1180-P1184 WeakPolarHBondContact O-CD 3.16Å; P1184-L1186 VanDerWaalsContact C-N 3.34Å; P1184-A1188 VanDerWaalsContact O-CB 3.22Å; P1184-A1188 WeakPolarHBondContact O-CB 3.16Å; P1184-A1188 PolarHBondContact O-N 2.91Å
1185	A	41.7	Very low	43.2	Very low	12 Å²	12	49.8 Å²	49.8	10%	0.099	27%	0.271	C	S	.	.	H	α-helix	trans	-70.4	-30.5	178.5	0	0	0	0	0	112.8	Y985 L1182 W1183 T1189	Y985-A1185 WeakPolarHBondContact O-CA 3.31Å; Y985-A1185 WeakPolarHBondContact O-CB 3.32Å; L1182-A1185 CarbonylContact O-C 3.53Å; L1182-A1185 WeakPolarHBondContact O-CA 3.41Å; L1182-A1185 WeakPolarHBondContact O-CB 3.41Å; L1182-A1185 PolarHBondContact O-N 2.86Å; L1182-A1185 VanDerWaalsContact O-N 3.09Å; W1183-A1185 VanDerWaalsContact C-N 3.31Å; W1183-A1185 PolarHBondContact O-N 3.17Å; A1185-T1189 WeakPolarHBondContact O-CG2 3.48Å; A1185-T1189 PolarHBondContact O-N 2.93Å; A1185-T1189 PolarHBondContact O-OG1 3.38Å
1186	L	42.6	Very low	42.3	Very low	27 Å²	27	49.6 Å²	49.6	14%	0.141	27%	0.269	C	S	.	.	H	α-helix	trans	-85.6	-43.6	179.9	-77.2	165.4	0	0	0	110.4	L987 I1032 C1036 L1182 W1183 P1184 A1188 T1189 I1190	L987-L1186 HydrophobicContact CD1-CD2 3.82Å; L987-L1186 HydrophobicContact CD1-CG 4.1Å; I1032-L1186 HydrophobicContact CG2-CD1 4.07Å; C1036-L1186 HydrophobicContact CB-CD1 3.91Å; C1036-L1186 WeakPolarHBondContact SG-CD1 3.09Å; L1182-L1186 HydrophobicContact CB-CD1 3.81Å; L1182-L1186 HydrophobicContact CB-CG 4.31Å; L1182-L1186 WeakPolarHBondContact O-CA 3.32Å; L1182-L1186 WeakPolarHBondContact O-CB 3.21Å; L1182-L1186 VanDerWaalsContact O-CG 3.29Å; L1182-L1186 WeakPolarHBondContact O-CG 3.21Å; L1182-L1186 PolarHBondContact O-N 2.9Å; W1183-L1186 PolarHBondContact O-N 3.32Å; P1184-L1186 VanDerWaalsContact C-N 3.34Å; L1186-A1188 PolarHBondContact O-N 3.29Å; L1186-T1189 WeakPolarHBondContact CA-OG1 3.39Å; L1186-T1189 CarbonylContact O-C 3.58Å; L1186-T1189 WeakPolarHBondContact O-CA 3.42Å; L1186-T1189 PolarHBondContact O-N 3.05Å; L1186-T1189 PolarHBondContact O-OG1 3.45Å; L1186-T1189 VanDerWaalsContact O-OG1 3.07Å; L1186-I1190 HydrophobicContact CB-CD1 4.49Å; L1186-I1190 WeakPolarHBondContact O-CG1 3.35Å; L1186-I1190 PolarHBondContact O-N 3.43Å
1187	L	40.6	Very low	41.4	Very low	91 Å²	91	43.9 Å²	43.9	48%	0.476	25%	0.248	S	C	.	.	H	α-helix	trans	-57.3	-29.5	166.5	-71.6	173.8	0	0	0	112.4	W1183 T1189	W1183-L1187 HydrophobicContact CD2-CD1 4.06Å; W1183-L1187 HydrophobicContact CD2-CG 4.37Å; W1183-L1187 HydrophobicContact CG-CD1 4.31Å; W1183-L1187 HydrophobicContact CH2-CD2 4.46Å; W1183-L1187 HydrophobicContact CZ2-CD1 3.89Å; W1183-L1187 HydrophobicContact CZ2-CD2 4.42Å; W1183-L1187 HydrophobicContact CZ2-CG 4.42Å; W1183-L1187 WeakPolarHBondContact O-CB 3.48Å; W1183-L1187 WeakPolarHBondContact O-CG 3.49Å; W1183-L1187 PolarHBondContact O-N 3.44Å; L1187-T1189 VanDerWaalsContact C-N 3.27Å; L1187-T1189 PolarHBondContact O-N 3.21Å
1188	A	37.4	Very low	40.5	Very low	74 Å²	74	47.4 Å²	47.4	61%	0.612	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-6.3	171.2	0	0	0	0	0	114.6	P1184 L1186	P1184-A1188 VanDerWaalsContact O-CB 3.22Å; P1184-A1188 WeakPolarHBondContact O-CB 3.16Å; P1184-A1188 PolarHBondContact O-N 2.91Å; L1186-A1188 PolarHBondContact O-N 3.29Å
1189	T	35.6	Very low	39.4	Very low	40 Å²	40	47 Å²	47	25%	0.245	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.9	-9.1	179.3	61.4	0	0	0	0	115	A986 A988 A1185 L1186 L1187 P1191	A986-T1189 HydrophobicContact CB-CG2 3.84Å; A988-T1189 HydrophobicContact CB-CG2 3.58Å; A1185-T1189 WeakPolarHBondContact O-CG2 3.48Å; A1185-T1189 PolarHBondContact O-N 2.93Å; A1185-T1189 PolarHBondContact O-OG1 3.38Å; L1186-T1189 WeakPolarHBondContact CA-OG1 3.39Å; L1186-T1189 CarbonylContact O-C 3.58Å; L1186-T1189 WeakPolarHBondContact O-CA 3.42Å; L1186-T1189 PolarHBondContact O-N 3.05Å; L1186-T1189 PolarHBondContact O-OG1 3.45Å; L1186-T1189 VanDerWaalsContact O-OG1 3.07Å; L1187-T1189 VanDerWaalsContact C-N 3.27Å; L1187-T1189 PolarHBondContact O-N 3.21Å; T1189-P1191 WeakPolarHBondContact O-CD 3.47Å
1190	I	32.3	Very low	38.5	Very low	63 Å²	63	48 Å²	48	32%	0.323	27%	0.27	S	S	.	.	S	Bend	trans	-93.4	92.1	159.1	-58.7	163.8	0	0	0	104.8	L1186 S1194 F1195	L1186-I1190 HydrophobicContact CB-CD1 4.49Å; L1186-I1190 WeakPolarHBondContact O-CG1 3.35Å; L1186-I1190 PolarHBondContact O-N 3.43Å; I1190-S1194 WeakPolarHBondContact CG2-O 3.37Å; I1190-F1195 HydrophobicContact CG2-CB 4.06Å; I1190-F1195 HydrophobicContact CG2-CD2 4.12Å
1191	P	32.5	Very low	37.7	Very low	45 Å²	45	49.5 Å²	49.5	29%	0.292	27%	0.272	S	S	.	.			trans	-43.3	145.4	169.8	-22.5	16	0	0	0	111.9	F974 T1189 K1193 S1194 F1195	F974-P1191 HydrophobicContact CD1-CB 3.81Å; F974-P1191 HydrophobicContact CD1-CG 3.45Å; F974-P1191 VanDerWaalsContact CD1-CG 3.45Å; F974-P1191 HydrophobicContact CE1-CB 3.44Å; F974-P1191 VanDerWaalsContact CE1-CB 3.44Å; F974-P1191 HydrophobicContact CE1-CG 3.36Å; F974-P1191 HydrophobicContact CG-CG 4.48Å; F974-P1191 HydrophobicContact CZ-CB 3.97Å; F974-P1191 HydrophobicContact CZ-CG 4.37Å; T1189-P1191 WeakPolarHBondContact O-CD 3.47Å; P1191-K1193 VanDerWaalsContact C-N 3.32Å; P1191-S1194 VanDerWaalsContact C-N 3.29Å; P1191-S1194 WeakPolarHBondContact CB-OG 3.49Å; P1191-S1194 WeakPolarHBondContact CD-OG 3.43Å; P1191-S1194 WeakPolarHBondContact CG-OG 3.3Å; P1191-S1194 CarbonylContact O-C 3.49Å; P1191-S1194 WeakPolarHBondContact O-CA 3.41Å; P1191-S1194 PolarHBondContact O-N 3.29Å; P1191-S1194 PolarHBondContact O-OG 3.42Å; P1191-F1195 PolarHBondContact O-N 3.19Å; P1191-F1195 VanDerWaalsContact O-N 3.12Å
1192	A	31.3	Very low	36.8	Very low	66 Å²	66	54 Å²	54	55%	0.545	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-63.5	-42.8	172.1	0	0	0	0	0	110.3	I970 S1194 F1195	I970-A1192 WeakPolarHBondContact CG2-O 3.28Å; A1192-S1194 PolarHBondContact O-N 3.27Å; A1192-F1195 PolarHBondContact O-N 3.24Å
1193	K	35.6	Very low	35.8	Very low	91 Å²	91	55.9 Å²	55.9	40%	0.396	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-70.7	22.6	163.1	-143.9	-80.8	173	-158.7	0	112.2	S969 I970 F974 P1191 E1197	S969-K1193 PolarHBondContact O-NZ 3.09Å; I970-K1193 CarbonylContact C-O 3.48Å; I970-K1193 HydrophobicContact CB-CD 4.21Å; I970-K1193 HydrophobicContact CB-CG 4.39Å; I970-K1193 HydrophobicContact CG1-CD 4.1Å; I970-K1193 HydrophobicContact CG1-CG 4.05Å; I970-K1193 HydrophobicContact CG2-CB 4.04Å; I970-K1193 HydrophobicContact CG2-CD 3.97Å; I970-K1193 HydrophobicContact CG2-CG 3.88Å; I970-K1193 WeakPolarHBondContact CG2-O 3.31Å; I970-K1193 WeakPolarHBondContact O-CD 3.37Å; I970-K1193 PolarHBondContact O-NZ 2.91Å; I970-K1193 VanDerWaalsContact O-NZ 3.16Å; F974-K1193 HydrophobicContact CD2-CB 4.3Å; F974-K1193 HydrophobicContact CD2-CD 3.88Å; F974-K1193 WeakPolarHBondContact CD2-O 3.38Å; F974-K1193 HydrophobicContact CE2-CB 3.62Å; F974-K1193 HydrophobicContact CE2-CD 3.74Å; F974-K1193 HydrophobicContact CE2-CG 4.11Å; F974-K1193 WeakPolarHBondContact CE2-O 3.41Å; F974-K1193 WeakPolarHBondContact CG-O 3.35Å; F974-K1193 HydrophobicContact CZ-CB 4.16Å; P1191-K1193 VanDerWaalsContact C-N 3.32Å; K1193-E1197 IonicContact NZ-OE2 3.78Å; K1193-E1197 PolarHBondContact NZ-OE2 3.48Å
1194	S	31.9	Very low	35.2	Very low	10 Å²	10	56.8 Å²	56.8	7%	0.07	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-148.6	43.5	162.3	95.1	0	0	0	0	112.4	L971 I1190 P1191 A1192	L971-S1194 VanDerWaalsContact CD1-O 3.31Å; L971-S1194 WeakPolarHBondContact CD1-O 3.45Å; L971-S1194 WeakPolarHBondContact CD2-O 3.31Å; L971-S1194 WeakPolarHBondContact CG-O 3.49Å; I1190-S1194 WeakPolarHBondContact CG2-O 3.37Å; P1191-S1194 VanDerWaalsContact C-N 3.29Å; P1191-S1194 WeakPolarHBondContact CB-OG 3.49Å; P1191-S1194 WeakPolarHBondContact CD-OG 3.43Å; P1191-S1194 WeakPolarHBondContact CG-OG 3.3Å; P1191-S1194 CarbonylContact O-C 3.49Å; P1191-S1194 WeakPolarHBondContact O-CA 3.41Å; P1191-S1194 PolarHBondContact O-N 3.29Å; P1191-S1194 PolarHBondContact O-OG 3.42Å; A1192-S1194 PolarHBondContact O-N 3.27Å
1195	F	33.9	Very low	34.8	Very low	79 Å²	79	58.4 Å²	58.4	35%	0.346	31%	0.31	S	S	.	.	S	Bend	trans	-110.6	-2.9	157.8	-173.7	-117	0	0	0	112.2	L1044 I1190 P1191 A1192	L1044-F1195 HydrophobicContact CD1-CE1 4.22Å; L1044-F1195 HydrophobicContact CD1-CZ 4.07Å; I1190-F1195 HydrophobicContact CG2-CB 4.06Å; I1190-F1195 HydrophobicContact CG2-CD2 4.12Å; P1191-F1195 PolarHBondContact O-N 3.19Å; P1191-F1195 VanDerWaalsContact O-N 3.12Å; A1192-F1195 PolarHBondContact O-N 3.24Å
1196	M	32.7	Very low	34.4	Very low	58 Å²	58	60.4 Å²	60.4	29%	0.286	33%	0.327	S	S	.	.	S	Bend	trans	-139.8	34.1	-161.1	10.9	-151.8	-59.9	0	0	116.7	I967 H968 S969 I970	I967-M1196 CarbonylContact C-O 3.57Å; I967-M1196 VanDerWaalsContact CA-CB 3.46Å; I967-M1196 HydrophobicContact CB-CB 4.01Å; I967-M1196 HydrophobicContact CG1-CB 4.13Å; I967-M1196 HydrophobicContact CG1-CE 3.99Å; I967-M1196 HydrophobicContact CG1-SD 4.27Å; I967-M1196 HydrophobicContact CG2-CB 3.96Å; I967-M1196 CarbonylContact O-C 3.23Å; I967-M1196 WeakPolarHBondContact O-CA 3.38Å; I967-M1196 VanDerWaalsContact O-O 3.09Å; H968-M1196 CarbonylContact C-O 3.53Å; H968-M1196 VanDerWaalsContact CA-C 3.47Å; H968-M1196 WeakPolarHBondContact CA-O 3.16Å; H968-M1196 PolarHBondContact N-O 3.19Å; S969-M1196 CarbonylContact C-O 3.55Å; S969-M1196 PolarHBondContact N-O 3.25Å; I970-M1196 WeakPolarHBondContact CA-O 3.49Å; I970-M1196 HydrophobicContact CB-CB 3.72Å; I970-M1196 HydrophobicContact CB-CG 3.89Å; I970-M1196 WeakPolarHBondContact CB-O 3.49Å; I970-M1196 HydrophobicContact CD1-CB 4.05Å; I970-M1196 HydrophobicContact CD1-CE 3.8Å; I970-M1196 HydrophobicContact CD1-CG 3.68Å; I970-M1196 HydrophobicContact CD1-SD 4.38Å; I970-M1196 HydrophobicContact CG1-CB 4.39Å; I970-M1196 HydrophobicContact CG1-CG 4.36Å; I970-M1196 HydrophobicContact CG2-CB 3.93Å; I970-M1196 HydrophobicContact CG2-CG 3.64Å; I970-M1196 VanDerWaalsContact N-C 3.28Å; I970-M1196 PolarHBondContact N-O 2.92Å
1197	E	34.8	Very low	33.8	Very low	25 Å²	25	61.9 Å²	61.9	12%	0.117	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-122.2	40.3	156.4	-105.1	152.9	123.3	0	0	106	I967 H968 S969 I970 L971 K972 A973 K1193	I967-E1197 PolarHBondContact O-N 3.15Å; H968-E1197 VanDerWaalsContact C-CA 3.49Å; H968-E1197 HydrophobicContact CB-CB 4.49Å; H968-E1197 VanDerWaalsContact CD2-CA 3.49Å; H968-E1197 WeakPolarHBondContact CD2-CA 3.42Å; H968-E1197 PolarHBondContact CD2-O 3.32Å; H968-E1197 VanDerWaalsContact CD2-O 3.26Å; H968-E1197 PolarHBondContact CE1-O 3.17Å; H968-E1197 VanDerWaalsContact ND1-C 3.27Å; H968-E1197 PolarHBondContact ND1-O 3.24Å; H968-E1197 PolarHBondContact NE2-O 3.4Å; H968-E1197 VanDerWaalsContact NE2-O 3.13Å; H968-E1197 WeakPolarHBondContact O-CG 3.46Å; S969-E1197 VanDerWaalsContact C-CD 3.44Å; S969-E1197 VanDerWaalsContact CA-CG 3.47Å; I970-E1197 VanDerWaalsContact C-CB 3.46Å; I970-E1197 WeakPolarHBondContact CA-OE2 3.35Å; I970-E1197 VanDerWaalsContact N-CB 3.28Å; I970-E1197 PolarHBondContact N-OE2 2.9Å; L971-E1197 VanDerWaalsContact C-CB 3.48Å; L971-E1197 VanDerWaalsContact CA-CB 3.45Å; L971-E1197 VanDerWaalsContact CB-C 3.4Å; L971-E1197 HydrophobicContact CB-CB 3.71Å; L971-E1197 WeakPolarHBondContact CB-O 3.41Å; L971-E1197 VanDerWaalsContact N-CA 3.3Å; K972-E1197 HydrophobicContact CB-CB 3.48Å; K972-E1197 VanDerWaalsContact CB-CB 3.48Å; K972-E1197 HydrophobicContact CB-CG 3.55Å; K972-E1197 VanDerWaalsContact CB-OE1 3.28Å; K972-E1197 WeakPolarHBondContact CB-OE1 3.29Å; K972-E1197 HydrophobicContact CD-CG 4.07Å; K972-E1197 HydrophobicContact CG-CG 4.38Å; A973-E1197 WeakPolarHBondContact CB-OE2 3.41Å; A973-E1197 PolarHBondContact N-OE1 3.09Å; A973-E1197 VanDerWaalsContact N-OE1 3.15Å; A973-E1197 PolarHBondContact N-OE2 3.34Å; K1193-E1197 IonicContact NZ-OE2 3.78Å; K1193-E1197 PolarHBondContact NZ-OE2 3.48Å
1198	D	33.4	Very low	33.5	Very low	77 Å²	77	63.7 Å²	63.7	41%	0.412	34%	0.337	S	S	.	.	S	Bend	trans	-136	2.7	166.3	-75.9	-51.7	0	0	0	116.5	I967 H968 L971 R1201	I967-D1198 PolarHBondContact O-N 2.91Å; H968-D1198 WeakPolarHBondContact CE1-CA 3.34Å; H968-D1198 IonicContact CE1-OD1 3.69Å; H968-D1198 PolarHBondContact CE1-OD1 3.1Å; H968-D1198 WeakPolarHBondContact ND1-CA 3.15Å; H968-D1198 PolarHBondContact ND1-N 3.18Å; H968-D1198 VanDerWaalsContact ND1-N 3.18Å; L971-D1198 WeakPolarHBondContact CB-OD2 3.42Å; L971-D1198 HydrophobicContact CD1-CB 3.83Å; L971-D1198 VanDerWaalsContact CD1-OD2 3.3Å; L971-D1198 WeakPolarHBondContact CD1-OD2 3.2Å; D1198-R1201 IonicContact OD1-CZ 2.85Å; D1198-R1201 IonicContact OD1-NE 2.94Å; D1198-R1201 IonicContact OD1-NH1 3.11Å; D1198-R1201 PolarHBondContact OD1-NH1 3.34Å
1199	A	33.4	Very low	33.6	Very low	9 Å²	9	68.3 Å²	68.3	7%	0.074	35%	0.346	C	S	.	.	S	Bend	trans	-79.2	-104.9	151.7	0	0	0	0	0	113.6	L964 I967 H968 R1201 H1202 W1203	L964-A1199 HydrophobicContact CB-CB 4.14Å; L964-A1199 HydrophobicContact CD2-CB 3.76Å; L964-A1199 VanDerWaalsContact O-CB 3.24Å; L964-A1199 WeakPolarHBondContact O-CB 3.5Å; I967-A1199 HydrophobicContact CB-CB 3.83Å; I967-A1199 HydrophobicContact CG2-CB 3.74Å; I967-A1199 WeakPolarHBondContact O-CB 3.43Å; I967-A1199 PolarHBondContact O-N 2.92Å; H968-A1199 HydrophobicContact CB-CB 4.39Å; H968-A1199 PolarHBondContact ND1-N 2.88Å; H968-A1199 PolarHBondContact ND1-O 3.12Å; A1199-R1201 CarbonylContact O-C 3.44Å; A1199-R1201 PolarHBondContact O-N 3.14Å; A1199-H1202 CarbonylContact O-C 3.5Å; A1199-H1202 WeakPolarHBondContact O-CA 3.48Å; A1199-H1202 WeakPolarHBondContact O-CB 3.4Å; A1199-H1202 PolarHBondContact O-N 2.94Å; A1199-W1203 HydrophobicContact CB-CB 4.4Å; A1199-W1203 HydrophobicContact CB-CG 4.42Å; A1199-W1203 PolarHBondContact O-N 3.01Å
1200	Q	32.1	Very low	33.5	Very low	24 Å²	24	69.4 Å²	69.4	11%	0.112	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-9	-34.2	177.1	7.7	-173.5	-160.2	0	0	123.2	L964 L965 H968 S969 W1203 Q1204	L964-Q1200 PolarHBondContact O-N 3.24Å; L964-Q1200 VanDerWaalsContact O-N 3.13Å; L965-Q1200 HydrophobicContact CB-CG 4.36Å; L965-Q1200 HydrophobicContact CD2-CB 3.6Å; L965-Q1200 HydrophobicContact CD2-CG 4.14Å; L965-Q1200 PolarHBondContact O-NE2 3.08Å; L965-Q1200 PolarHBondContact O-OE1 2.93Å; H968-Q1200 VanDerWaalsContact C-OE1 3.29Å; H968-Q1200 HydrophobicContact CB-CB 3.52Å; H968-Q1200 HydrophobicContact CB-CG 3.26Å; H968-Q1200 VanDerWaalsContact N-CG 3.34Å; H968-Q1200 WeakPolarHBondContact O-CG 3.4Å; H968-Q1200 PolarHBondContact O-OE1 2.69Å; S969-Q1200 PolarHBondContact OG-OE1 2.74Å; S969-Q1200 VanDerWaalsContact OG-OE1 3.08Å; Q1200-W1203 PolarHBondContact O-N 2.93Å; Q1200-Q1204 HydrophobicContact CB-CB 3.84Å; Q1200-Q1204 WeakPolarHBondContact O-CA 3.21Å; Q1200-Q1204 WeakPolarHBondContact O-CB 3.03Å; Q1200-Q1204 PolarHBondContact O-N 3.22Å
1201	R	34.7	Very low	33.4	Very low	92 Å²	92	70.6 Å²	70.6	35%	0.347	36%	0.364	S	S	.	.	I	π-helix	trans	-54.6	-66.1	153.5	-77.8	173.3	-83	-155.7	179.8	106.3	H968 E975 D1198 A1199 W1203 Q1204 D1205	H968-R1201 WeakPolarHBondContact CE1-CB 3.39Å; H968-R1201 WeakPolarHBondContact CE1-CG 3.27Å; H968-R1201 PolarHBondContact CE1-N 3.41Å; H968-R1201 PolarHBondContact CE1-NE 3.34Å; H968-R1201 PolarHBondContact ND1-N 3.36Å; H968-R1201 VanDerWaalsContact NE2-CG 3.31Å; H968-R1201 WeakPolarHBondContact NE2-CG 3.45Å; H968-R1201 PolarHBondContact NE2-NE 3.12Å; E975-R1201 IonicContact OE2-CZ 2.65Å; E975-R1201 IonicContact OE2-NH1 2.71Å; E975-R1201 PolarHBondContact OE2-NH1 3.28Å; E975-R1201 IonicContact OE2-NH2 3.39Å; E975-R1201 PolarHBondContact OE2-NH2 3.24Å; D1198-R1201 IonicContact OD1-CZ 2.85Å; D1198-R1201 IonicContact OD1-NE 2.94Å; D1198-R1201 IonicContact OD1-NH1 3.11Å; D1198-R1201 PolarHBondContact OD1-NH1 3.34Å; A1199-R1201 CarbonylContact O-C 3.44Å; A1199-R1201 PolarHBondContact O-N 3.14Å; R1201-W1203 PolarHBondContact O-N 3.11Å; R1201-Q1204 PolarHBondContact O-N 3.01Å; R1201-D1205 WeakPolarHBondContact O-CA 3.44Å; R1201-D1205 WeakPolarHBondContact O-CB 3.43Å; R1201-D1205 PolarHBondContact O-N 3.38Å
1202	H	34.1	Very low	33.5	Very low	134 Å²	134	72.9 Å²	72.9	62%	0.62	39%	0.387	S	S	*	.	I	π-helix	trans	-51.6	-6.3	166.2	-123.9	45.5	0	0	0	119.4	A1199	A1199-H1202 CarbonylContact O-C 3.5Å; A1199-H1202 WeakPolarHBondContact O-CA 3.48Å; A1199-H1202 WeakPolarHBondContact O-CB 3.4Å; A1199-H1202 PolarHBondContact O-N 2.94Å
1203	W	31	Very low	33.5	Very low	49 Å²	49	78.2 Å²	78.2	19%	0.186	40%	0.398	C	S	.	.	I	π-helix	trans	-135	-5.5	177.2	-100	75	0	0	0	115.5	L956 K960 R961 L964 L965 A1199 Q1200 R1201 Y1207	L956-W1203 HydrophobicContact CB-CH2 4.17Å; L956-W1203 HydrophobicContact CB-CZ3 4.35Å; L956-W1203 HydrophobicContact CD2-CH2 3.57Å; L956-W1203 HydrophobicContact CD2-CZ2 4.08Å; L956-W1203 HydrophobicContact CG-CH2 4.31Å; K960-W1203 HydrophobicContact CB-CH2 4.33Å; K960-W1203 WeakPolarHBondContact O-CZ3 3.48Å; R961-W1203 HydrophobicContact CB-CZ3 4.27Å; R961-W1203 HydrophobicContact CG-CE3 4.12Å; R961-W1203 HydrophobicContact CG-CZ3 3.67Å; L964-W1203 HydrophobicContact CB-CB 4.2Å; L964-W1203 HydrophobicContact CB-CD2 3.29Å; L964-W1203 HydrophobicContact CB-CE3 3.7Å; L964-W1203 HydrophobicContact CB-CG 3.53Å; L964-W1203 HydrophobicContact CB-CH2 4.31Å; L964-W1203 HydrophobicContact CB-CZ2 4.05Å; L964-W1203 HydrophobicContact CB-CZ3 4.18Å; L964-W1203 HydrophobicContact CD1-CD2 4.25Å; L964-W1203 HydrophobicContact CD1-CH2 3.7Å; L964-W1203 HydrophobicContact CD1-CZ2 3.28Å; L964-W1203 HydrophobicContact CD1-CZ3 4.38Å; L964-W1203 HydrophobicContact CG-CD2 4.26Å; L964-W1203 HydrophobicContact CG-CZ2 4.17Å; L965-W1203 HydrophobicContact CD2-CB 4.26Å; L965-W1203 WeakPolarHBondContact CD2-O 3.22Å; A1199-W1203 HydrophobicContact CB-CB 4.4Å; A1199-W1203 HydrophobicContact CB-CG 4.42Å; A1199-W1203 PolarHBondContact O-N 3.01Å; Q1200-W1203 PolarHBondContact O-N 2.93Å; R1201-W1203 PolarHBondContact O-N 3.11Å; W1203-Y1207 WeakPolarHBondContact O-CB 3.48Å; W1203-Y1207 PolarHBondContact O-N 3.15Å
1204	Q	33.7	Very low	33.1	Very low	73 Å²	73	84.1 Å²	84.1	34%	0.341	42%	0.42	S	S	.	.	I	π-helix	trans	-113.6	-36.2	178.6	-151.5	166.7	-7.2	0	0	107.9	L965 Q1200 R1201 A1206 Y1207 E1208	L965-Q1204 HydrophobicContact CD2-CB 3.59Å; L965-Q1204 HydrophobicContact CD2-CG 3.8Å; Q1200-Q1204 HydrophobicContact CB-CB 3.84Å; Q1200-Q1204 WeakPolarHBondContact O-CA 3.21Å; Q1200-Q1204 WeakPolarHBondContact O-CB 3.03Å; Q1200-Q1204 PolarHBondContact O-N 3.22Å; R1201-Q1204 PolarHBondContact O-N 3.01Å; Q1204-A1206 PolarHBondContact O-N 3.04Å; Q1204-Y1207 PolarHBondContact O-N 2.75Å; Q1204-E1208 VanDerWaalsContact O-CB 3.31Å; Q1204-E1208 WeakPolarHBondContact O-CB 3.32Å; Q1204-E1208 WeakPolarHBondContact O-CG 3.45Å; Q1204-E1208 PolarHBondContact O-N 3.45Å
1205	D	35.3	Very low	33	Very low	87 Å²	87	89.2 Å²	89.2	47%	0.465	45%	0.452	S	S	.	.	I	π-helix	trans	-52.1	-41.2	152.7	-48.5	-17.1	0	0	0	108.4	R1201 Y1207 H1209	R1201-D1205 WeakPolarHBondContact O-CA 3.44Å; R1201-D1205 WeakPolarHBondContact O-CB 3.43Å; R1201-D1205 PolarHBondContact O-N 3.38Å; D1205-Y1207 VanDerWaalsContact C-N 3.32Å; D1205-Y1207 PolarHBondContact O-N 3.01Å; D1205-H1209 WeakPolarHBondContact O-CB 3.27Å; D1205-H1209 PolarHBondContact O-N 3.4Å; D1205-H1209 PolarHBondContact O-ND1 2.93Å
1206	A	33	Very low	32.9	Very low	55 Å²	55	94.2 Å²	94.2	46%	0.455	48%	0.477	S	S	.	.	H	α-helix	trans	-83.1	7.3	175.5	0	0	0	0	0	115.8	R961 Q1204	R961-A1206 PolarHBondContact NH2-O 3Å; Q1204-A1206 PolarHBondContact O-N 3.04Å
1207	Y	31	Very low	32.9	Very low	57 Å²	57	99.7 Å²	99.7	22%	0.224	50%	0.502	C	S	.	.	H	α-helix	trans	-113.8	-48.5	174.3	-168.2	-81.8	0	0	0	110.1	E958 R961 L965 W1203 Q1204 D1205 H1209 S1210 V1211	E958-Y1207 PolarHBondContact OE1-OH 3.21Å; R961-Y1207 HydrophobicContact CB-CD2 4.11Å; R961-Y1207 HydrophobicContact CB-CE2 4.03Å; R961-Y1207 HydrophobicContact CG-CD2 3.99Å; R961-Y1207 HydrophobicContact CG-CE2 4.22Å; L965-Y1207 HydrophobicContact CD1-CD2 3.71Å; L965-Y1207 HydrophobicContact CD1-CE2 3.97Å; L965-Y1207 HydrophobicContact CD1-CG 4.22Å; W1203-Y1207 WeakPolarHBondContact O-CB 3.48Å; W1203-Y1207 PolarHBondContact O-N 3.15Å; Q1204-Y1207 PolarHBondContact O-N 2.75Å; D1205-Y1207 VanDerWaalsContact C-N 3.32Å; D1205-Y1207 PolarHBondContact O-N 3.01Å; Y1207-H1209 VanDerWaalsContact C-N 3.29Å; Y1207-H1209 PolarHBondContact O-N 3.36Å; Y1207-S1210 WeakPolarHBondContact O-CA 3.42Å; Y1207-S1210 WeakPolarHBondContact O-CB 3.4Å; Y1207-S1210 PolarHBondContact O-N 3.45Å; Y1207-S1210 PolarHBondContact O-OG 2.9Å; Y1207-V1211 HydrophobicContact CD1-CG2 3.86Å; Y1207-V1211 HydrophobicContact CE1-CB 4.44Å; Y1207-V1211 HydrophobicContact CE1-CG2 3.67Å; Y1207-V1211 HydrophobicContact CG-CG2 4.49Å; Y1207-V1211 PolarHBondContact O-N 3.44Å
1208	E	34.8	Very low	32.8	Very low	130 Å²	130	104.9 Å²	104.9	61%	0.607	53%	0.53	S	S	*	.	H	α-helix	trans	-62.8	-33.5	178.6	-67.1	170.6	-166.8	0	0	111.6	Q1204 S1210	Q1204-E1208 VanDerWaalsContact O-CB 3.31Å; Q1204-E1208 WeakPolarHBondContact O-CB 3.32Å; Q1204-E1208 WeakPolarHBondContact O-CG 3.45Å; Q1204-E1208 PolarHBondContact O-N 3.45Å; E1208-S1210 PolarHBondContact O-N 3.32Å
1209	H	39.2	Very low	32.6	Very low	171 Å²	171	108.5 Å²	108.5	79%	0.792	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	11.5	169.2	-73.4	83.3	0	0	0	114.7	D1205 Y1207	D1205-H1209 WeakPolarHBondContact O-CB 3.27Å; D1205-H1209 PolarHBondContact O-N 3.4Å; D1205-H1209 PolarHBondContact O-ND1 2.93Å; Y1207-H1209 VanDerWaalsContact C-N 3.29Å; Y1207-H1209 PolarHBondContact O-N 3.36Å
1210	S	32.9	Very low	32.5	Very low	62 Å²	62	117 Å²	117	43%	0.434	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	-139.8	-16.9	-174.6	72.2	0	0	0	0	117.5	R961 Y1207 E1208	R961-S1210 PolarHBondContact NH1-OG 2.92Å; R961-S1210 PolarHBondContact NH2-OG 3.46Å; Y1207-S1210 WeakPolarHBondContact O-CA 3.42Å; Y1207-S1210 WeakPolarHBondContact O-CB 3.4Å; Y1207-S1210 PolarHBondContact O-N 3.45Å; Y1207-S1210 PolarHBondContact O-OG 2.9Å; E1208-S1210 PolarHBondContact O-N 3.32Å
1211	V	30.8	Very low	32.6	Very low	88 Å²	88	125.1 Å²	125.1	53%	0.533	63%	0.626	S	S	.	*			trans	-107.9	42.3	-173.9	-165.1	0	0	0	0	111.5	Y1207 K1213	Y1207-V1211 HydrophobicContact CD1-CG2 3.86Å; Y1207-V1211 HydrophobicContact CE1-CB 4.44Å; Y1207-V1211 HydrophobicContact CE1-CG2 3.67Å; Y1207-V1211 HydrophobicContact CG-CG2 4.49Å; Y1207-V1211 PolarHBondContact O-N 3.44Å; V1211-K1213 VanDerWaalsContact C-N 3.32Å; V1211-K1213 PolarHBondContact O-N 3Å
1212	A	33.4	Very low	32.4	Very low	93 Å²	93	128.4 Å²	128.4	77%	0.769	65%	0.648	S	S	*	*			trans	-91.1	31.6	-177.6	0	0	0	0	0	113.7
1213	K	30.9	Very low	32.1	Very low	179 Å²	179	126 Å²	126	78%	0.778	65%	0.652	S	S	*	*	S	Bend	trans	-148.2	103.9	-173	-76.7	-163.5	175.9	-173.8	0	115.6	V1211	V1211-K1213 VanDerWaalsContact C-N 3.32Å; V1211-K1213 PolarHBondContact O-N 3Å
1214	Y	27.6	Very low	32	Very low	215 Å²	215	132 Å²	132	84%	0.843	68%	0.682	S	S	*	*			trans	76.2	152.8	144.3	-69.7	-75.5	0	0	0	119.5
1215	P	31.5	Very low	31.8	Very low	116 Å²	116	134.5 Å²	134.5	75%	0.753	70%	0.696	S	S	*	*				-137.8	-146.1	-123.1	44.3	-23.1	0	0	0	116.3
1216	E	30.1	Very low	31.4	Very low	184 Å²	184	138.7 Å²	138.7	86%	0.86	71%	0.713	S	S	*	*			trans	-96.3	178.8	-154.4	-55	161	137.1	0	0	116.5
1217	Q	32.8	Very low	31.2	Very low	174 Å²	174	144.9 Å²	144.9	81%	0.813	73%	0.733	S	S	*	*			trans	136.1	142.9	160.7	-76.9	-171.2	-23.3	0	0	110.8
1218	N	33.3	Very low	31.2	Very low	134 Å²	134	150 Å²	150	72%	0.717	76%	0.764	S	S	*	*			cis	-152.8	174.3	-3.5	-106.2	-5.7	0	0	0	110.3
1219	D	29.6	Very low	31	Very low	153 Å²	153	148.5 Å²	148.5	82%	0.818	76%	0.76	S	S	*	*			trans	-99.2	-165.9	-172.4	-64.2	-75.5	0	0	0	115.9
1220	E	30.8	Very low	30.6	Very low	187 Å²	187	144 Å²	144	87%	0.874	75%	0.745	S	S	*	*			trans	82.4	141.5	172.8	-55.4	173.7	-179.7	0	0	115.2
1221	E	33.4	Very low	30.6	Very low	195 Å²	195	147.8 Å²	147.8	91%	0.911	76%	0.759	S	S	*	*			cis	-124.8	-161.3	19.6	-66.8	-177.7	102.4	0	0	115.4
1222	I	30.3	Very low	30.6	Very low	160 Å²	160	147.3 Å²	147.3	82%	0.821	76%	0.764	S	S	*	*			trans	-140.1	140.4	-153.5	-73.6	172.1	0	0	0	115.1
1223	A	28.6	Very low	30.7	Very low	85 Å²	85	148.7 Å²	148.7	70%	0.702	77%	0.765	S	S	*	*			trans	75.2	169.4	153.5	0	0	0	0	0	123.1
1224	E	29.2	Very low	30.6	Very low	173 Å²	173	146.1 Å²	146.1	81%	0.808	76%	0.764	S	S	*	*			trans	74.2	142.5	165.1	-57.5	-155.4	150.8	0	0	119.5
1225	I	29	Very low	30.9	Very low	126 Å²	126	143.3 Å²	143.3	65%	0.646	76%	0.764	S	S	*	*			cis	-160.1	143.2	-28	-124.6	166.4	0	0	0	111.7
1226	Q	28.1	Very low	30.8	Very low	176 Å²	176	148 Å²	148	82%	0.822	77%	0.767	S	S	*	*			trans	59.7	178.7	157.1	-68.1	179.7	-55.1	0	0	123.1
1227	E	28.7	Very low	30.7	Very low	184 Å²	184	144.8 Å²	144.8	86%	0.86	76%	0.761	S	S	*	*			trans	-126.1	159.1	-160.7	-55	159	112.4	0	0	110.7
1228	D	30.4	Very low	30.4	Very low	165 Å²	165	145.3 Å²	145.3	88%	0.882	76%	0.761	S	S	*	*				-175	175.6	127.3	-129.8	-37.8	0	0	0	115.1
1229	D	30.2	Very low	29.9	Very low	98 Å²	98	150.5 Å²	150.5	52%	0.524	77%	0.771	S	S	.	*			trans	-127.9	-179.7	-160.6	-127	26	0	0	0	114.9	V925	V925-D1229 VanDerWaalsContact O-OD2 3.07Å
1230	T	31.9	Very low	29.6	Very low	77 Å²	77	152.2 Å²	152.2	47%	0.472	77%	0.771	S	S	.	*			trans	103.6	161.3	155.4	78.4	0	0	0	0	123.4	V925	V925-T1230 VanDerWaalsContact C-N 3.27Å; V925-T1230 WeakPolarHBondContact O-CA 3.38Å; V925-T1230 PolarHBondContact O-N 3.44Å
1231	I	31.4	Very low	29.3	Very low	141 Å²	141	153.9 Å²	153.9	72%	0.723	77%	0.769	S	S	*	*			trans	77.6	134.9	174.7	-59.4	175.7	0	0	0	117.6	V925	V925-I1231 VanDerWaalsContact CG1-O 3.24Å; V925-I1231 WeakPolarHBondContact CG1-O 3.2Å
1232	A	31.5	Very low	28.9	Very low	79 Å²	79	153.1 Å²	153.1	65%	0.653	77%	0.766	S	S	*	*			cis	-165.6	174.3	-15.9	0	0	0	0	0	112.3
1233	P	35.5	Very low	28.6	Very low	121 Å²	121	156.4 Å²	156.4	79%	0.786	77%	0.768	S	S	*	*			trans	-124.1	172.7	-167.5	42.3	-31.1	0	0	0	118.7
1234	V	27.9	Very low	28.4	Very low	125 Å²	125	160.6 Å²	160.6	76%	0.758	77%	0.773	S	S	*	*			trans	153	129.2	140.1	158.8	0	0	0	0	116
1235	N	34.2	Very low	28.2	Very low	156 Å²	156	158 Å²	158	83%	0.834	76%	0.764	S	S	*	*			trans	178.6	163	131.3	-107	-61.3	0	0	0	116.9
1236	R	29.2	Very low	28	Very low	216 Å²	216	160.6 Å²	160.6	82%	0.815	77%	0.767	S	S	*	*			trans	-157.2	145.7	-178.6	-78.4	-175.3	176.4	173.7	-0.2	116.8	K1238	R1236-K1238 PolarHBondContact O-NZ 3.28Å
1237	P	28	Very low	27.9	Very low	115 Å²	115	160.7 Å²	160.7	75%	0.747	77%	0.765	S	S	*	*			trans	-122.5	160.2	140.8	6.5	16.7	0	0	0	113.5
1238	K	26.4	Very low	27.7	Very low	185 Å²	185	159.2 Å²	159.2	80%	0.804	76%	0.76	S	S	*	*			cis	83	126.6	33.9	-54.2	154	-164	163.7	0	112	R1236	R1236-K1238 PolarHBondContact O-NZ 3.28Å
1239	R	24.1	Very low	27.4	Very low	244 Å²	244	159.9 Å²	159.9	92%	0.921	76%	0.755	S	S	*	*			cis	-156	133.9	0.8	-97.2	173.1	172.8	-179.1	-1.9	112.8
1240	K	23.9	Very low	27.5	Very low	189 Å²	189	163 Å²	163	82%	0.822	77%	0.77	S	S	*	*			trans	17.4	143.5	149.4	-70.5	179.3	175.6	176.6	0	125.5
1241	R	23.2	Very low	27.2	Very low	221 Å²	221	164.2 Å²	164.2	83%	0.834	78%	0.779	S	S	*	*			trans	73.3	159.9	154	-69.7	175.1	177.6	176	-2.6	116.6
1242	Q	24.4	Very low	26.8	Very low	180 Å²	180	164.6 Å²	164.6	84%	0.841	78%	0.783	S	S	*	*			cis	-135.7	-145.1	13.3	-155.2	140.8	-37.3	0	0	114.5
1243	R	24.2	Very low	26.5	Very low	229 Å²	229	170.2 Å²	170.2	86%	0.864	79%	0.792	S	S	*	*			trans	-107.8	175.6	-163.6	-83.4	-176.3	168.6	176	-4.2	114.7
1244	Q	25	Very low	26	Very low	173 Å²	173	169.7 Å²	169.7	81%	0.808	78%	0.775	S	S	*	*			trans	89.2	141.1	158.6	-54	-169.1	-81.5	0	0	117
1245	D	24.9	Very low	26	Very low	117 Å²	117	169.7 Å²	169.7	63%	0.626	77%	0.77	S	S	*	*			cis	-162.5	171.7	-28.3	-118.8	-41	0	0	0	112.2
1246	Y	24.4	Very low	25.7	Very low	182 Å²	182	170.7 Å²	170.7	71%	0.714	77%	0.767	S	S	*	*			trans	70.3	124.5	159.9	-73.1	-60.1	0	0	0	124.1
1247	F	25.7	Very low	25.7	Very low	178 Å²	178	169.1 Å²	169.1	78%	0.781	77%	0.766	S	S	*	*			trans	57.7	131.2	152.8	-60.9	-64.4	0	0	0	123.2
1248	M	25.7	Very low	25.9	Very low	153 Å²	153	168.6 Å²	168.6	75%	0.754	76%	0.757	S	S	*	*			cis	-175.2	146.6	-40	-112.5	-70	171.6	0	0	113.3
1249	K	24.9	Very low	26.1	Very low	178 Å²	178	167.2 Å²	167.2	77%	0.774	75%	0.753	S	S	*	*			trans	97.4	130	160.2	-64.2	156.9	-177.3	169.3	0	119.1
1250	I	30.6	Very low	26.6	Very low	165 Å²	165	161.1 Å²	161.1	85%	0.846	74%	0.738	S	S	*	*			trans	70	115.3	166.1	-53.9	152.2	0	0	0	112.7
1251	P	25.6	Very low	27	Very low	101 Å²	101	155.4 Å²	155.4	66%	0.656	71%	0.712	S	S	*	*				-151.3	177.1	63.8	41.9	-22.7	0	0	0	118.4
1252	N	24.2	Very low	27.4	Very low	149 Å²	149	146.5 Å²	146.5	80%	0.797	68%	0.681	S	S	*	*			trans	70.3	152.1	154.4	-68.2	-28.4	0	0	0	121.2
1253	K	25.3	Very low	27.9	Very low	197 Å²	197	140.6 Å²	140.6	86%	0.857	66%	0.663	S	S	*	*			trans	72.3	126.4	-174.7	-51.7	170.5	-177.2	174.1	0	112.8
1254	R	24.7	Very low	28.2	Very low	110 Å²	110	132.4 Å²	132.4	42%	0.415	64%	0.636	S	S	.	*			cis	-129.7	105.7	13.4	-65.6	-178.7	174.3	-149.5	-3	113	L45 K46	L45-R1254 PolarHBondContact O-NH1 3.19Å; K46-R1254 PolarHBondContact O-NH1 3.33Å; K46-R1254 PolarHBondContact O-NH2 3.13Å
1255	L	27.8	Very low	28.7	Very low	125 Å²	125	127.1 Å²	127.1	65%	0.654	61%	0.613	S	S	*	*			trans	-96.4	82.8	163.4	-88.9	168.8	0	0	0	110.1	Y1261	L1255-Y1261 HydrophobicContact CD2-CE1 4.09Å
1256	K	28.2	Very low	29.2	Very low	178 Å²	178	127.9 Å²	127.9	77%	0.774	62%	0.617	S	S	*	*			trans	-145.8	151.4	167.4	-72.8	-165	176.6	-175.1	0	111.3	N1262	K1256-N1262 WeakPolarHBondContact CA-OD1 3.03Å
1257	K	29.3	Very low	29.7	Very low	183 Å²	183	124.4 Å²	124.4	80%	0.796	61%	0.606	S	S	*	*			trans	71	57.8	175.5	-59.6	-172.3	178.8	-178.4	0	116.4	N1262	K1257-N1262 PolarHBondContact N-OD1 2.87Å
1258	N	30.6	Very low	30.2	Very low	103 Å²	103	118 Å²	118	55%	0.551	58%	0.579	S	S	*	*			trans	-121.6	110.1	140.9	-167.1	-6.1	0	0	0	105.5	N1260 Y1261 N1262	N1258-N1260 PolarHBondContact O-N 3.25Å; N1258-N1260 VanDerWaalsContact O-N 3.08Å; N1258-Y1261 CarbonylContact O-C 3.37Å; N1258-Y1261 PolarHBondContact O-N 3.21Å; N1258-N1262 PolarHBondContact N-OD1 2.65Å; N1258-N1262 PolarHBondContact O-N 3.4Å
1259	H	32.7	Very low	30.5	Very low	156 Å²	156	114.1 Å²	114.1	72%	0.722	58%	0.578	S	S	*	*	H	α-helix	trans	-59.7	-31	-160.3	-86.5	-88.1	0	0	0	113.8	A1263	H1259-A1263 VanDerWaalsContact O-CB 3.26Å; H1259-A1263 WeakPolarHBondContact O-CB 3.39Å; H1259-A1263 PolarHBondContact O-N 3.35Å; H1259-A1263 VanDerWaalsContact O-N 3.14Å
1260	N	32.8	Very low	31	Very low	116 Å²	116	108.9 Å²	108.9	62%	0.62	56%	0.564	S	S	*	*	H	α-helix	trans	-80.7	-25.6	173.6	-64.4	-20.9	0	0	0	113.9	N1258 L1264	N1258-N1260 PolarHBondContact O-N 3.25Å; N1258-N1260 VanDerWaalsContact O-N 3.08Å; N1260-L1264 WeakPolarHBondContact O-CG 3.17Å; N1260-L1264 PolarHBondContact O-N 3.18Å; N1260-L1264 VanDerWaalsContact O-N 3.11Å
1261	Y	32.1	Very low	31.3	Very low	70 Å²	70	110.6 Å²	110.6	28%	0.275	56%	0.56	S	S	.	*	H	α-helix	trans	-87.3	-32.3	179.6	-158.9	-93.6	0	0	0	112.1	L1255 N1258 L1264 L1265 I1302	L1255-Y1261 HydrophobicContact CD2-CE1 4.09Å; N1258-Y1261 CarbonylContact O-C 3.37Å; N1258-Y1261 PolarHBondContact O-N 3.21Å; Y1261-L1264 PolarHBondContact O-N 2.96Å; Y1261-L1265 HydrophobicContact CD1-CD1 3.77Å; Y1261-L1265 HydrophobicContact CD1-CG 4.34Å; Y1261-L1265 HydrophobicContact CE1-CD1 3.79Å; Y1261-L1265 HydrophobicContact CE1-CG 4.34Å; Y1261-L1265 WeakPolarHBondContact O-CB 3.33Å; Y1261-L1265 WeakPolarHBondContact O-CG 3.5Å; Y1261-L1265 PolarHBondContact O-N 2.7Å; Y1261-I1302 HydrophobicContact CD2-CD1 4.13Å; Y1261-I1302 HydrophobicContact CE2-CD1 4.01Å
1262	N	33.2	Very low	31.8	Very low	34 Å²	34	107.6 Å²	107.6	18%	0.182	54%	0.54	C	S	.	.	H	α-helix	trans	-70.5	-35.4	167	-88.7	72.8	0	0	0	111.4	K1256 K1257 N1258 L1265 N1266	K1256-N1262 WeakPolarHBondContact CA-OD1 3.03Å; K1257-N1262 PolarHBondContact N-OD1 2.87Å; N1258-N1262 PolarHBondContact N-OD1 2.65Å; N1258-N1262 PolarHBondContact O-N 3.4Å; N1262-L1265 PolarHBondContact O-N 3.11Å; N1262-N1266 VanDerWaalsContact O-CB 3.31Å; N1262-N1266 WeakPolarHBondContact O-CB 3.3Å; N1262-N1266 PolarHBondContact O-N 3.37Å; N1262-N1266 PolarHBondContact O-OD1 3.23Å
1263	A	34.4	Very low	32.4	Very low	56 Å²	56	106.4 Å²	106.4	46%	0.463	53%	0.534	S	S	.	.	H	α-helix	trans	-60.5	-49.3	168.9	0	0	0	0	0	110.8	H1259 L1265 N1266 F1267	H1259-A1263 VanDerWaalsContact O-CB 3.26Å; H1259-A1263 WeakPolarHBondContact O-CB 3.39Å; H1259-A1263 PolarHBondContact O-N 3.35Å; H1259-A1263 VanDerWaalsContact O-N 3.14Å; A1263-L1265 PolarHBondContact O-N 3.23Å; A1263-N1266 PolarHBondContact O-N 3.15Å; A1263-F1267 WeakPolarHBondContact O-CB 3.41Å; A1263-F1267 PolarHBondContact O-N 3.23Å
1264	L	31	Very low	32.8	Very low	56 Å²	56	103.1 Å²	103.1	29%	0.293	52%	0.516	S	S	.	.	H	α-helix	trans	-54.5	-53.4	172.7	-83.3	161.6	0	0	0	112.3	N1260 Y1261 N1266 F1267 I1268	N1260-L1264 WeakPolarHBondContact O-CG 3.17Å; N1260-L1264 PolarHBondContact O-N 3.18Å; N1260-L1264 VanDerWaalsContact O-N 3.11Å; Y1261-L1264 PolarHBondContact O-N 2.96Å; L1264-N1266 PolarHBondContact O-N 2.94Å; L1264-F1267 PolarHBondContact O-N 3.33Å; L1264-I1268 HydrophobicContact CB-CD1 4.28Å; L1264-I1268 HydrophobicContact CD2-CD1 4.01Å; L1264-I1268 WeakPolarHBondContact O-CB 3.34Å; L1264-I1268 WeakPolarHBondContact O-CD1 3.33Å; L1264-I1268 WeakPolarHBondContact O-CG1 3.3Å; L1264-I1268 PolarHBondContact O-N 3.36Å
1265	L	34.1	Very low	33.1	Very low	62 Å²	62	100 Å²	100	33%	0.325	51%	0.514	S	S	.	.	H	α-helix	trans	-62.5	-40.8	-178	-79.1	168.4	0	0	0	113.5	Y1261 N1262 A1263	Y1261-L1265 HydrophobicContact CD1-CD1 3.77Å; Y1261-L1265 HydrophobicContact CD1-CG 4.34Å; Y1261-L1265 HydrophobicContact CE1-CD1 3.79Å; Y1261-L1265 HydrophobicContact CE1-CG 4.34Å; Y1261-L1265 WeakPolarHBondContact O-CB 3.33Å; Y1261-L1265 WeakPolarHBondContact O-CG 3.5Å; Y1261-L1265 PolarHBondContact O-N 2.7Å; N1262-L1265 PolarHBondContact O-N 3.11Å; A1263-L1265 PolarHBondContact O-N 3.23Å
1266	N	37	Very low	33.6	Very low	133 Å²	133	101.8 Å²	101.8	71%	0.711	52%	0.516	S	S	*	.	H	α-helix	trans	-73.1	-30.8	177.3	-72.3	14.7	0	0	0	112.2	N1262 A1263 L1264	N1262-N1266 VanDerWaalsContact O-CB 3.31Å; N1262-N1266 WeakPolarHBondContact O-CB 3.3Å; N1262-N1266 PolarHBondContact O-N 3.37Å; N1262-N1266 PolarHBondContact O-OD1 3.23Å; A1263-N1266 PolarHBondContact O-N 3.15Å; L1264-N1266 PolarHBondContact O-N 2.94Å
1267	F	34.4	Very low	34.2	Very low	109 Å²	109	100.4 Å²	100.4	48%	0.478	51%	0.506	S	S	.	.	H	α-helix	trans	-79.6	-27	-179.6	-165.9	-101.7	0	0	0	113	A1263 L1264 G1269 L1316 R1319	A1263-F1267 WeakPolarHBondContact O-CB 3.41Å; A1263-F1267 PolarHBondContact O-N 3.23Å; L1264-F1267 PolarHBondContact O-N 3.33Å; F1267-G1269 VanDerWaalsContact C-N 3.33Å; F1267-L1316 HydrophobicContact CD1-CD2 4.49Å; F1267-L1316 HydrophobicContact CE1-CD2 3.54Å; F1267-L1316 HydrophobicContact CE1-CG 4.33Å; F1267-L1316 HydrophobicContact CZ-CD2 3.55Å; F1267-R1319 VanDerWaalsContact CE1-NH1 3.32Å; F1267-R1319 PolarHBondContact O-NH1 3.07Å; F1267-R1319 PolarHBondContact O-NH2 3.21Å
1268	I	36	Very low	34.6	Very low	44 Å²	44	95.7 Å²	95.7	23%	0.226	49%	0.489	C	S	.	.	S	Bend	trans	-81.7	-7.4	-178.1	-69.9	166.1	0	0	0	113.1	L1264 S1270 V1272 W1274	L1264-I1268 HydrophobicContact CB-CD1 4.28Å; L1264-I1268 HydrophobicContact CD2-CD1 4.01Å; L1264-I1268 WeakPolarHBondContact O-CB 3.34Å; L1264-I1268 WeakPolarHBondContact O-CD1 3.33Å; L1264-I1268 WeakPolarHBondContact O-CG1 3.3Å; L1264-I1268 PolarHBondContact O-N 3.36Å; I1268-S1270 PolarHBondContact O-N 3.41Å; I1268-V1272 HydrophobicContact CG2-CB 4.29Å; I1268-W1274 HydrophobicContact CD1-CZ2 4.45Å; I1268-W1274 HydrophobicContact CG2-CZ2 3.94Å
1269	G	30.9	Very low	35.3	Very low	71 Å²	71	98.4 Å²	98.4	73%	0.732	50%	0.503	S	S	*	.			trans	-64.5	12.2	-175.6	0	0	0	0	0	117.8	F1267	F1267-G1269 VanDerWaalsContact C-N 3.33Å
1270	S	36.6	Very low	36.1	Very low	69 Å²	69	93.5 Å²	93.5	48%	0.483	50%	0.495	S	S	.	.	S	Bend	trans	-142.2	120.2	-179.9	40	0	0	0	0	112.8	I1268 R1319	I1268-S1270 PolarHBondContact O-N 3.41Å; S1270-R1319 PolarHBondContact O-NH2 3.42Å; S1270-R1319 PolarHBondContact OG-NH2 2.87Å
1271	R	36.5	Very low	36.7	Very low	201 Å²	201	90.4 Å²	90.4	76%	0.758	48%	0.48	S	S	*	.	S	Bend	trans	63.7	28.4	177.2	-57.8	-171.4	179.1	-178.3	-0.1	118
1272	V	35.2	Very low	37.5	Very low	38 Å²	38	89.2 Å²	89.2	23%	0.23	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	113.3	169.1	-177.2	0	0	0	0	110.4	I1268 F1284	I1268-V1272 HydrophobicContact CG2-CB 4.29Å; V1272-F1284 HydrophobicContact CG1-CB 3.97Å; V1272-F1284 HydrophobicContact CG1-CD2 4.23Å
1273	N	37.9	Very low	38.3	Very low	124 Å²	124	89.2 Å²	89.2	66%	0.663	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	127.1	175.3	-90.5	-16.9	0	0	0	110.2	T1285	N1273-T1285 VanDerWaalsContact CB-OG1 3.32Å; N1273-T1285 WeakPolarHBondContact CB-OG1 3.28Å; N1273-T1285 PolarHBondContact O-N 3.31Å; N1273-T1285 VanDerWaalsContact O-N 3.08Å; N1273-T1285 PolarHBondContact O-OG1 3.35Å
1274	W	32.9	Very low	39.3	Very low	127 Å²	127	87.6 Å²	87.6	48%	0.481	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	125.7	-176.1	-74.4	60.6	0	0	0	110.6	I1268 M1282	I1268-W1274 HydrophobicContact CD1-CZ2 4.45Å; I1268-W1274 HydrophobicContact CG2-CZ2 3.94Å; W1274-M1282 HydrophobicContact CE3-CE 4.04Å; W1274-M1282 HydrophobicContact CH2-CE 3.47Å; W1274-M1282 VanDerWaalsContact CH2-CE 3.47Å; W1274-M1282 HydrophobicContact CZ2-CE 4.15Å; W1274-M1282 HydrophobicContact CZ3-CE 3.41Å; W1274-M1282 VanDerWaalsContact CZ3-CE 3.41Å; W1274-M1282 HydrophobicContact CZ3-SD 4.12Å
1275	A	31.8	Very low	40.2	Very low	45 Å²	45	85.8 Å²	85.8	37%	0.372	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	153.5	177.5	0	0	0	0	0	111.6	R1277 T1283	A1275-R1277 PolarHBondContact O-N 2.91Å; A1275-T1283 VanDerWaalsContact C-OG1 3.24Å; A1275-T1283 WeakPolarHBondContact CB-OG1 3.4Å; A1275-T1283 PolarHBondContact N-O 3.12Å; A1275-T1283 VanDerWaalsContact N-O 3.09Å; A1275-T1283 PolarHBondContact O-OG1 2.85Å
1276	K	38	Very low	41.1	Very low	163 Å²	163	85.1 Å²	85.1	71%	0.709	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	2.4	107	170	-87.9	169.1	164.6	179.7	0	116.6	I1278 T1283	K1276-I1278 HydrophobicContact CB-CD1 3.88Å; K1276-I1278 HydrophobicContact CB-CG1 4.07Å; K1276-I1278 HydrophobicContact CD-CD1 3.81Å; K1276-I1278 HydrophobicContact CG-CD1 4.01Å; K1276-I1278 HydrophobicContact CG-CG1 4.46Å; K1276-I1278 PolarHBondContact O-N 2.99Å; K1276-T1283 PolarHBondContact O-OG1 3.08Å; K1276-T1283 VanDerWaalsContact O-OG1 3.13Å
1277	R	40.8	Very low	41.6	Very low	149 Å²	149	81.8 Å²	81.8	56%	0.562	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	112.8	154.7	-85.3	178.6	157.1	169.4	-4	108.9	A1275 N1300	A1275-R1277 PolarHBondContact O-N 2.91Å; R1277-N1300 VanDerWaalsContact CZ-OD1 3.31Å; R1277-N1300 PolarHBondContact NE-OD1 3.38Å; R1277-N1300 PolarHBondContact NH2-OD1 2.78Å
1278	I	38.9	Very low	42.2	Very low	83 Å²	83	78.7 Å²	78.7	43%	0.426	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	136.6	178.6	-69.3	177.1	0	0	0	109.1	K1276 G1280 T1281	K1276-I1278 HydrophobicContact CB-CD1 3.88Å; K1276-I1278 HydrophobicContact CB-CG1 4.07Å; K1276-I1278 HydrophobicContact CD-CD1 3.81Å; K1276-I1278 HydrophobicContact CG-CD1 4.01Å; K1276-I1278 HydrophobicContact CG-CG1 4.46Å; K1276-I1278 PolarHBondContact O-N 2.99Å; I1278-G1280 PolarHBondContact O-N 3.3Å; I1278-G1280 VanDerWaalsContact O-N 3.14Å; I1278-T1281 PolarHBondContact N-O 2.92Å; I1278-T1281 WeakPolarHBondContact O-CA 3.26Å; I1278-T1281 PolarHBondContact O-N 3.26Å; I1278-T1281 PolarHBondContact O-OG1 3.01Å
1279	N	43.8	Very low	42.4	Very low	160 Å²	160	85.1 Å²	85.1	86%	0.856	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.6	51.4	167.8	-58.8	-2.6	0	0	0	115	T1281	N1279-T1281 VanDerWaalsContact C-N 3.27Å; N1279-T1281 PolarHBondContact O-N 3.15Å
1280	G	50.9	Low	42.7	Very low	53 Å²	53	88.1 Å²	88.1	55%	0.546	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	77	5.7	178.1	0	0	0	0	0	115.3	I1278 N1300	I1278-G1280 PolarHBondContact O-N 3.3Å; I1278-G1280 VanDerWaalsContact O-N 3.14Å; G1280-N1300 WeakPolarHBondContact O-CB 3.33Å; G1280-N1300 PolarHBondContact O-N 3.25Å
1281	T	43.7	Very low	42.9	Very low	51 Å²	51	87.5 Å²	87.5	31%	0.313	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	163.9	177.6	69.4	0	0	0	0	112.7	I1278 N1279 T1297 L1298	I1278-T1281 PolarHBondContact N-O 2.92Å; I1278-T1281 WeakPolarHBondContact O-CA 3.26Å; I1278-T1281 PolarHBondContact O-N 3.26Å; I1278-T1281 PolarHBondContact O-OG1 3.01Å; N1279-T1281 VanDerWaalsContact C-N 3.27Å; N1279-T1281 PolarHBondContact O-N 3.15Å; T1281-T1297 HydrophobicContact CG2-CG2 4.44Å; T1281-L1298 CarbonylContact C-O 3.48Å; T1281-L1298 VanDerWaalsContact CA-O 3.28Å; T1281-L1298 WeakPolarHBondContact CA-O 3.44Å
1282	M	50.3	Low	43.1	Very low	45 Å²	45	82.9 Å²	82.9	22%	0.222	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	121.7	-174.8	170.2	171.5	161.1	0	0	108.2	W1274 L1298 N1300	W1274-M1282 HydrophobicContact CE3-CE 4.04Å; W1274-M1282 HydrophobicContact CH2-CE 3.47Å; W1274-M1282 VanDerWaalsContact CH2-CE 3.47Å; W1274-M1282 HydrophobicContact CZ2-CE 4.15Å; W1274-M1282 HydrophobicContact CZ3-CE 3.41Å; W1274-M1282 VanDerWaalsContact CZ3-CE 3.41Å; W1274-M1282 HydrophobicContact CZ3-SD 4.12Å; M1282-L1298 PolarHBondContact N-O 2.79Å; M1282-L1298 PolarHBondContact O-N 3.15Å; M1282-N1300 HydrophobicContact CB-CB 4.22Å
1283	T	50.3	Low	43.7	Very low	34 Å²	34	86.4 Å²	86.4	21%	0.209	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	139.5	180	50.7	0	0	0	0	111.4	A1275 K1276 I1296 T1297	A1275-T1283 VanDerWaalsContact C-OG1 3.24Å; A1275-T1283 WeakPolarHBondContact CB-OG1 3.4Å; A1275-T1283 PolarHBondContact N-O 3.12Å; A1275-T1283 VanDerWaalsContact N-O 3.09Å; A1275-T1283 PolarHBondContact O-OG1 2.85Å; K1276-T1283 PolarHBondContact O-OG1 3.08Å; K1276-T1283 VanDerWaalsContact O-OG1 3.13Å; T1283-I1296 WeakPolarHBondContact CA-O 3.17Å; T1283-T1297 HydrophobicContact CG2-CG2 3.82Å; T1283-T1297 WeakPolarHBondContact CG2-OG1 3.49Å
1284	F	55	Low	44.1	Very low	23 Å²	23	85 Å²	85	10%	0.101	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	146.9	174.7	60.5	-78.8	0	0	0	110.6	V1272 I1286 I1296 L1298	V1272-F1284 HydrophobicContact CG1-CB 3.97Å; V1272-F1284 HydrophobicContact CG1-CD2 4.23Å; F1284-I1286 HydrophobicContact CD2-CG1 4.14Å; F1284-I1286 HydrophobicContact CE2-CD1 4.14Å; F1284-I1286 HydrophobicContact CE2-CG1 4.06Å; F1284-I1296 HydrophobicContact CD1-CB 4.27Å; F1284-I1296 WeakPolarHBondContact CD1-O 3.36Å; F1284-I1296 HydrophobicContact CD2-CB 4.43Å; F1284-I1296 HydrophobicContact CE1-CB 3.77Å; F1284-I1296 HydrophobicContact CE1-CG2 3.65Å; F1284-I1296 HydrophobicContact CE2-CB 3.96Å; F1284-I1296 HydrophobicContact CE2-CD1 4.05Å; F1284-I1296 HydrophobicContact CE2-CG1 4.4Å; F1284-I1296 HydrophobicContact CE2-CG2 4.37Å; F1284-I1296 HydrophobicContact CZ-CB 3.6Å; F1284-I1296 HydrophobicContact CZ-CD1 4.11Å; F1284-I1296 HydrophobicContact CZ-CG1 4.38Å; F1284-I1296 HydrophobicContact CZ-CG2 3.55Å; F1284-I1296 PolarHBondContact N-O 3.32Å; F1284-I1296 PolarHBondContact O-N 2.85Å; F1284-L1298 HydrophobicContact CE1-CD1 3.76Å; F1284-L1298 HydrophobicContact CE1-CG 4.04Å; F1284-L1298 HydrophobicContact CZ-CD1 4.18Å
1285	T	50.2	Low	44.9	Very low	18 Å²	18	85.5 Å²	85.5	11%	0.11	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	129.9	170.7	42.4	0	0	0	0	110.7	N1273 L1293 L1294 Q1295	N1273-T1285 VanDerWaalsContact CB-OG1 3.32Å; N1273-T1285 WeakPolarHBondContact CB-OG1 3.28Å; N1273-T1285 PolarHBondContact O-N 3.31Å; N1273-T1285 VanDerWaalsContact O-N 3.08Å; N1273-T1285 PolarHBondContact O-OG1 3.35Å; T1285-L1293 HydrophobicContact CG2-CD2 4.4Å; T1285-L1294 WeakPolarHBondContact CA-O 3.24Å; T1285-Q1295 HydrophobicContact CG2-CG 3.58Å
1286	I	51.8	Low	45.7	Very low	47 Å²	47	85.2 Å²	85.2	24%	0.241	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	127.3	160.9	-56.2	-179	0	0	0	107	F1284 L1294 I1296	F1284-I1286 HydrophobicContact CD2-CG1 4.14Å; F1284-I1286 HydrophobicContact CE2-CD1 4.14Å; F1284-I1286 HydrophobicContact CE2-CG1 4.06Å; I1286-L1294 HydrophobicContact CB-CB 4.18Å; I1286-L1294 PolarHBondContact N-O 2.96Å; I1286-L1294 PolarHBondContact O-N 3.01Å; I1286-I1296 HydrophobicContact CD1-CD1 3.63Å; I1286-I1296 HydrophobicContact CG1-CD1 4.36Å
1287	T	47.2	Very low	46.3	Very low	64 Å²	64	81.3 Å²	81.3	39%	0.393	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	119.2	165.4	50.7	0	0	0	0	108.8	L1293	T1287-L1293 HydrophobicContact CG2-CD2 3.85Å
1288	S	46.7	Very low	46.8	Very low	44 Å²	44	75.3 Å²	75.3	31%	0.308	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-60.7	157	165.2	-177.9	0	0	0	0	110.5	N1290 G1291 E1292	S1288-N1290 PolarHBondContact O-N 3.48Å; S1288-N1290 PolarHBondContact OG-N 3.39Å; S1288-G1291 PolarHBondContact O-N 3.41Å; S1288-E1292 PolarHBondContact N-O 3.38Å
1289	E	40.2	Very low	47.4	Very low	179 Å²	179	73.3 Å²	73.3	84%	0.836	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-22.9	168.8	-59.7	-167.6	137	0	0	111.6	G1291	E1289-G1291 PolarHBondContact O-N 2.99Å
1290	N	38.9	Very low	47.8	Very low	134 Å²	134	68.5 Å²	68.5	72%	0.717	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	5.4	172.7	-55.6	-12.9	0	0	0	113.7	S1288 E1292	S1288-N1290 PolarHBondContact O-N 3.48Å; S1288-N1290 PolarHBondContact OG-N 3.39Å; N1290-E1292 HydrophobicContact CB-CG 4.4Å; N1290-E1292 PolarHBondContact O-N 2.82Å
1291	G	40.8	Very low	47.8	Very low	56 Å²	56	71.1 Å²	71.1	58%	0.577	39%	0.387	S	S	*	.	S	Bend	trans	78.3	-7.7	-176	0	0	0	0	0	115.7	S1288 E1289	S1288-G1291 PolarHBondContact O-N 3.41Å; E1289-G1291 PolarHBondContact O-N 2.99Å
1292	E	39.4	Very low	48.1	Very low	104 Å²	104	73 Å²	73	49%	0.486	40%	0.395	S	S	.	.			trans	-64.3	139	178.9	-62.1	-176.1	113	0	0	112.9	S1288 N1290	S1288-E1292 PolarHBondContact N-O 3.38Å; N1290-E1292 HydrophobicContact CB-CG 4.4Å; N1290-E1292 PolarHBondContact O-N 2.82Å
1293	L	48.8	Very low	47.7	Very low	112 Å²	112	80.9 Å²	80.9	59%	0.586	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	98.5	-174.9	-76.5	166.2	0	0	0	111.9	T1285 T1287 Q1295	T1285-L1293 HydrophobicContact CG2-CD2 4.4Å; T1287-L1293 HydrophobicContact CG2-CD2 3.85Å; L1293-Q1295 PolarHBondContact O-N 2.8Å
1294	L	45.6	Very low	47.5	Very low	95 Å²	95	82.4 Å²	82.4	50%	0.497	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	105.6	179	-125.6	163.1	0	0	0	110.2	T1285 I1286 I1296	T1285-L1294 WeakPolarHBondContact CA-O 3.24Å; I1286-L1294 HydrophobicContact CB-CB 4.18Å; I1286-L1294 PolarHBondContact N-O 2.96Å; I1286-L1294 PolarHBondContact O-N 3.01Å; L1294-I1296 HydrophobicContact CD2-CG1 4.34Å
1295	Q	49.1	Very low	47.1	Very low	136 Å²	136	82.4 Å²	82.4	64%	0.636	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	122.1	176.5	-79	-175.2	-12.1	0	0	111.4	T1285 L1293	T1285-Q1295 HydrophobicContact CG2-CG 3.58Å; L1293-Q1295 PolarHBondContact O-N 2.8Å
1296	I	49.1	Very low	46.9	Very low	39 Å²	39	87.7 Å²	87.7	20%	0.2	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	131.8	177.9	-55.9	-176.1	0	0	0	110	T1283 F1284 I1286 L1294 L1298 L1318	T1283-I1296 WeakPolarHBondContact CA-O 3.17Å; F1284-I1296 HydrophobicContact CD1-CB 4.27Å; F1284-I1296 WeakPolarHBondContact CD1-O 3.36Å; F1284-I1296 HydrophobicContact CD2-CB 4.43Å; F1284-I1296 HydrophobicContact CE1-CB 3.77Å; F1284-I1296 HydrophobicContact CE1-CG2 3.65Å; F1284-I1296 HydrophobicContact CE2-CB 3.96Å; F1284-I1296 HydrophobicContact CE2-CD1 4.05Å; F1284-I1296 HydrophobicContact CE2-CG1 4.4Å; F1284-I1296 HydrophobicContact CE2-CG2 4.37Å; F1284-I1296 HydrophobicContact CZ-CB 3.6Å; F1284-I1296 HydrophobicContact CZ-CD1 4.11Å; F1284-I1296 HydrophobicContact CZ-CG1 4.38Å; F1284-I1296 HydrophobicContact CZ-CG2 3.55Å; F1284-I1296 PolarHBondContact N-O 3.32Å; F1284-I1296 PolarHBondContact O-N 2.85Å; I1286-I1296 HydrophobicContact CD1-CD1 3.63Å; I1286-I1296 HydrophobicContact CG1-CD1 4.36Å; L1294-I1296 HydrophobicContact CD2-CG1 4.34Å; I1296-L1298 HydrophobicContact CG2-CG 4.24Å; I1296-L1318 HydrophobicContact CD1-CD2 4.31Å
1297	T	51.4	Low	46.3	Very low	82 Å²	82	89.4 Å²	89.4	50%	0.503	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	121.1	-179.8	-49.7	0	0	0	0	109.9	T1281 T1283	T1281-T1297 HydrophobicContact CG2-CG2 4.44Å; T1283-T1297 HydrophobicContact CG2-CG2 3.82Å; T1283-T1297 WeakPolarHBondContact CG2-OG1 3.49Å
1298	L	51.4	Low	46	Very low	22 Å²	22	89.6 Å²	89.6	12%	0.115	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	156.7	179.6	-70	-179.3	0	0	0	112.6	T1281 M1282 F1284 I1296 N1300 L1305 F1310 F1315	T1281-L1298 CarbonylContact C-O 3.48Å; T1281-L1298 VanDerWaalsContact CA-O 3.28Å; T1281-L1298 WeakPolarHBondContact CA-O 3.44Å; M1282-L1298 PolarHBondContact N-O 2.79Å; M1282-L1298 PolarHBondContact O-N 3.15Å; F1284-L1298 HydrophobicContact CE1-CD1 3.76Å; F1284-L1298 HydrophobicContact CE1-CG 4.04Å; F1284-L1298 HydrophobicContact CZ-CD1 4.18Å; I1296-L1298 HydrophobicContact CG2-CG 4.24Å; L1298-N1300 PolarHBondContact O-N 3.33Å; L1298-L1305 HydrophobicContact CB-CD2 4.27Å; L1298-L1305 HydrophobicContact CD1-CD2 4.28Å; L1298-F1310 HydrophobicContact CD2-CE1 4.38Å; L1298-F1310 HydrophobicContact CD2-CZ 4.06Å; L1298-F1315 HydrophobicContact CD1-CE1 3.62Å; L1298-F1315 HydrophobicContact CD1-CZ 4.08Å
1299	P	50.7	Low	45.5	Very low	41 Å²	41	90 Å²	90	27%	0.266	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	130.8	167.2	-22.5	34.5	0	0	0	111.4	E1301 I1304 L1305	P1299-E1301 PolarHBondContact O-N 3.5Å; P1299-I1304 HydrophobicContact CB-CB 3.93Å; P1299-I1304 HydrophobicContact CB-CD1 4.42Å; P1299-I1304 HydrophobicContact CB-CG2 3.61Å; P1299-I1304 HydrophobicContact CG-CG2 3.7Å; P1299-L1305 WeakPolarHBondContact O-CD1 3.4Å; P1299-L1305 WeakPolarHBondContact O-CG 3.32Å
1300	N	51.4	Low	45.6	Very low	60 Å²	60	83.8 Å²	83.8	32%	0.321	45%	0.448	S	S	.	.	S	Bend	trans	-75.2	-11.8	179.7	-179.9	68.5	0	0	0	112.7	R1277 G1280 M1282 L1298	R1277-N1300 VanDerWaalsContact CZ-OD1 3.31Å; R1277-N1300 PolarHBondContact NE-OD1 3.38Å; R1277-N1300 PolarHBondContact NH2-OD1 2.78Å; G1280-N1300 WeakPolarHBondContact O-CB 3.33Å; G1280-N1300 PolarHBondContact O-N 3.25Å; M1282-N1300 HydrophobicContact CB-CB 4.22Å; L1298-N1300 PolarHBondContact O-N 3.33Å
1301	E	52.6	Low	45.9	Very low	107 Å²	107	83.1 Å²	83.1	50%	0.5	44%	0.439	S	S	.	.			trans	-83.1	119.6	173	-77.7	-161.4	-159.3	0	0	112.6	P1299 R1303 I1304 L1305	P1299-E1301 PolarHBondContact O-N 3.5Å; E1301-R1303 PolarHBondContact O-N 3.3Å; E1301-I1304 HydrophobicContact CB-CB 4.03Å; E1301-I1304 HydrophobicContact CB-CD1 3.87Å; E1301-I1304 HydrophobicContact CB-CG1 3.72Å; E1301-I1304 HydrophobicContact CG-CD1 4.23Å; E1301-I1304 HydrophobicContact CG-CG1 4.46Å; E1301-I1304 PolarHBondContact O-N 3.45Å; E1301-L1305 PolarHBondContact O-N 2.98Å
1302	I	48.3	Very low	45.9	Very low	91 Å²	91	82.7 Å²	82.7	47%	0.467	43%	0.427	S	S	.	.	H	α-helix	trans	-53.2	-36.8	170	-61.7	172.9	0	0	0	111.3	Y1261 L1305 Y1306	Y1261-I1302 HydrophobicContact CD2-CD1 4.13Å; Y1261-I1302 HydrophobicContact CE2-CD1 4.01Å; I1302-L1305 PolarHBondContact O-N 2.87Å; I1302-Y1306 HydrophobicContact CG2-CD2 3.65Å; I1302-Y1306 HydrophobicContact CG2-CE2 3.71Å; I1302-Y1306 WeakPolarHBondContact O-CD2 3.43Å; I1302-Y1306 PolarHBondContact O-N 2.95Å
1303	R	42.1	Very low	46	Very low	211 Å²	211	81.8 Å²	81.8	80%	0.796	43%	0.425	S	S	*	.	H	α-helix	trans	-64.1	-43.6	177	-68.1	-178.6	-178.3	171.2	2.3	112.2	E1301 S1307	E1301-R1303 PolarHBondContact O-N 3.3Å; R1303-S1307 WeakPolarHBondContact O-CB 3.48Å; R1303-S1307 PolarHBondContact O-N 3.24Å; R1303-S1307 PolarHBondContact O-OG 2.94Å
1304	I	46.2	Very low	45.7	Very low	66 Å²	66	78 Å²	78	34%	0.338	41%	0.408	S	S	.	.	H	α-helix	trans	-65.1	-46.2	176.7	-60.8	178.2	0	0	0	109.4	P1299 E1301 Y1306 S1307 C1308	P1299-I1304 HydrophobicContact CB-CB 3.93Å; P1299-I1304 HydrophobicContact CB-CD1 4.42Å; P1299-I1304 HydrophobicContact CB-CG2 3.61Å; P1299-I1304 HydrophobicContact CG-CG2 3.7Å; E1301-I1304 HydrophobicContact CB-CB 4.03Å; E1301-I1304 HydrophobicContact CB-CD1 3.87Å; E1301-I1304 HydrophobicContact CB-CG1 3.72Å; E1301-I1304 HydrophobicContact CG-CD1 4.23Å; E1301-I1304 HydrophobicContact CG-CG1 4.46Å; E1301-I1304 PolarHBondContact O-N 3.45Å; I1304-Y1306 PolarHBondContact O-N 2.68Å; I1304-S1307 WeakPolarHBondContact CA-OG 3.41Å; I1304-S1307 CarbonylContact O-C 3.35Å; I1304-S1307 WeakPolarHBondContact O-CA 3.44Å; I1304-S1307 PolarHBondContact O-N 3.11Å; I1304-S1307 PolarHBondContact O-OG 3.16Å; I1304-C1308 WeakPolarHBondContact O-CB 3.46Å; I1304-C1308 PolarHBondContact O-N 2.66Å; I1304-C1308 PolarHBondContact O-SG 3.29Å; I1304-C1308 VanDerWaalsContact O-SG 3.34Å
1305	L	46.5	Very low	45.6	Very low	22 Å²	22	76.3 Å²	76.3	12%	0.115	40%	0.397	C	S	.	.	H	α-helix	trans	-54.6	-51.4	176.5	-71.2	168.1	0	0	0	112.5	L1298 P1299 E1301 I1302 S1307 C1308 G1309 F1310 F1315	L1298-L1305 HydrophobicContact CB-CD2 4.27Å; L1298-L1305 HydrophobicContact CD1-CD2 4.28Å; P1299-L1305 WeakPolarHBondContact O-CD1 3.4Å; P1299-L1305 WeakPolarHBondContact O-CG 3.32Å; E1301-L1305 PolarHBondContact O-N 2.98Å; I1302-L1305 PolarHBondContact O-N 2.87Å; L1305-S1307 VanDerWaalsContact C-N 3.32Å; L1305-S1307 PolarHBondContact O-N 3.32Å; L1305-C1308 CarbonylContact O-C 3.6Å; L1305-C1308 PolarHBondContact O-N 3.46Å; L1305-G1309 PolarHBondContact O-N 2.95Å; L1305-F1310 HydrophobicContact CB-CB 4.2Å; L1305-F1310 HydrophobicContact CD2-CB 4.49Å; L1305-F1310 HydrophobicContact CD2-CD2 4.21Å; L1305-F1310 HydrophobicContact CD2-CG 4.23Å; L1305-F1310 WeakPolarHBondContact O-CB 3.33Å; L1305-F1310 PolarHBondContact O-N 2.68Å; L1305-F1315 HydrophobicContact CD1-CZ 3.96Å; L1305-F1315 HydrophobicContact CD2-CZ 4.12Å
1306	Y	46.6	Very low	45.1	Very low	130 Å²	130	73.8 Å²	73.8	51%	0.51	39%	0.387	S	S	.	.	H	α-helix	trans	-62.5	-35.7	174.8	-87.9	-77.6	0	0	0	113	I1302 I1304 C1308 G1309 F1310 P1312	I1302-Y1306 HydrophobicContact CG2-CD2 3.65Å; I1302-Y1306 HydrophobicContact CG2-CE2 3.71Å; I1302-Y1306 WeakPolarHBondContact O-CD2 3.43Å; I1302-Y1306 PolarHBondContact O-N 2.95Å; I1304-Y1306 PolarHBondContact O-N 2.68Å; Y1306-C1308 VanDerWaalsContact C-N 3.32Å; Y1306-G1309 PolarHBondContact O-N 3.47Å; Y1306-G1309 VanDerWaalsContact O-N 3.12Å; Y1306-F1310 WeakPolarHBondContact CA-O 3.18Å; Y1306-F1310 WeakPolarHBondContact CD1-O 3.38Å; Y1306-P1312 WeakPolarHBondContact OH-CD 3.44Å; Y1306-P1312 WeakPolarHBondContact OH-CG 3.36Å
1307	S	40.4	Very low	44.7	Very low	82 Å²	82	76.5 Å²	76.5	57%	0.573	40%	0.402	S	S	*	.	H	α-helix	trans	-69.3	-30.3	176	77.6	0	0	0	0	113.1	R1303 I1304 L1305 G1309	R1303-S1307 WeakPolarHBondContact O-CB 3.48Å; R1303-S1307 PolarHBondContact O-N 3.24Å; R1303-S1307 PolarHBondContact O-OG 2.94Å; I1304-S1307 WeakPolarHBondContact CA-OG 3.41Å; I1304-S1307 CarbonylContact O-C 3.35Å; I1304-S1307 WeakPolarHBondContact O-CA 3.44Å; I1304-S1307 PolarHBondContact O-N 3.11Å; I1304-S1307 PolarHBondContact O-OG 3.16Å; L1305-S1307 VanDerWaalsContact C-N 3.32Å; L1305-S1307 PolarHBondContact O-N 3.32Å; S1307-G1309 PolarHBondContact O-N 3.36Å
1308	C	39.5	Very low	44	Very low	69 Å²	69	75.4 Å²	75.4	47%	0.466	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	5.3	171.2	-65.8	0	0	0	0	113	I1304 L1305 Y1306 F1310	I1304-C1308 WeakPolarHBondContact O-CB 3.46Å; I1304-C1308 PolarHBondContact O-N 2.66Å; I1304-C1308 PolarHBondContact O-SG 3.29Å; I1304-C1308 VanDerWaalsContact O-SG 3.34Å; L1305-C1308 CarbonylContact O-C 3.6Å; L1305-C1308 PolarHBondContact O-N 3.46Å; Y1306-C1308 VanDerWaalsContact C-N 3.32Å; C1308-F1310 HydrophobicContact CB-CD2 3.92Å; C1308-F1310 HydrophobicContact CB-CE2 4.11Å
1309	G	37.6	Very low	43.1	Very low	52 Å²	52	79.3 Å²	79.3	54%	0.536	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	-0.6	175.5	0	0	0	0	0	115.9	L1305 Y1306 S1307 K1311	L1305-G1309 PolarHBondContact O-N 2.95Å; Y1306-G1309 PolarHBondContact O-N 3.47Å; Y1306-G1309 VanDerWaalsContact O-N 3.12Å; S1307-G1309 PolarHBondContact O-N 3.36Å; G1309-K1311 PolarHBondContact O-N 3.42Å
1310	F	41.6	Very low	42.3	Very low	48 Å²	48	88.6 Å²	88.6	21%	0.211	44%	0.442	C	S	.	.			trans	-70.7	127.1	176.2	-67.8	-102.1	0	0	0	110.7	L1298 L1305 Y1306 C1308 F1315 L1318	L1298-F1310 HydrophobicContact CD2-CE1 4.38Å; L1298-F1310 HydrophobicContact CD2-CZ 4.06Å; L1305-F1310 HydrophobicContact CB-CB 4.2Å; L1305-F1310 HydrophobicContact CD2-CB 4.49Å; L1305-F1310 HydrophobicContact CD2-CD2 4.21Å; L1305-F1310 HydrophobicContact CD2-CG 4.23Å; L1305-F1310 WeakPolarHBondContact O-CB 3.33Å; L1305-F1310 PolarHBondContact O-N 2.68Å; Y1306-F1310 WeakPolarHBondContact CA-O 3.18Å; Y1306-F1310 WeakPolarHBondContact CD1-O 3.38Å; C1308-F1310 HydrophobicContact CB-CD2 3.92Å; C1308-F1310 HydrophobicContact CB-CE2 4.11Å; F1310-F1315 HydrophobicContact CB-CE2 4.21Å; F1310-F1315 HydrophobicContact CD1-CE2 4.41Å; F1310-F1315 HydrophobicContact CD1-CZ 4.31Å; F1310-L1318 HydrophobicContact CE1-CD1 4.4Å
1311	K	45.6	Very low	41.8	Very low	120 Å²	120	90 Å²	90	52%	0.522	45%	0.448	S	S	.	.			trans	-101.3	171	168.8	-64.2	-179.8	-172.1	168.9	0	109.9	G1309 D1313 S1314 F1315	G1309-K1311 PolarHBondContact O-N 3.42Å; K1311-D1313 HydrophobicContact CB-CB 4.28Å; K1311-D1313 VanDerWaalsContact CD-OD2 3.3Å; K1311-D1313 WeakPolarHBondContact CD-OD2 3.36Å; K1311-D1313 PolarHBondContact O-N 3.1Å; K1311-S1314 PolarHBondContact N-OG 2.68Å; K1311-S1314 VanDerWaalsContact O-CB 3.27Å; K1311-S1314 WeakPolarHBondContact O-CB 3.45Å; K1311-S1314 PolarHBondContact O-N 3Å; K1311-F1315 WeakPolarHBondContact O-CD2 3.46Å
1312	P	40.9	Very low	41.3	Very low	48 Å²	48	89.1 Å²	89.1	31%	0.312	45%	0.445	S	S	.	.	H	α-helix	trans	-52.8	-43.2	164.5	-24.2	36.1	0	0	0	111.1	Y1306 S1314 F1315	Y1306-P1312 WeakPolarHBondContact OH-CD 3.44Å; Y1306-P1312 WeakPolarHBondContact OH-CG 3.36Å; P1312-S1314 PolarHBondContact O-N 3.37Å; P1312-F1315 PolarHBondContact O-N 2.79Å
1313	D	41	Very low	40.9	Very low	85 Å²	85	89 Å²	89	46%	0.455	44%	0.444	S	S	.	.	H	α-helix	trans	-57.4	-27.9	174.7	-27.3	-37.7	0	0	0	113.5	K1311 F1315 L1316 N1317	K1311-D1313 HydrophobicContact CB-CB 4.28Å; K1311-D1313 VanDerWaalsContact CD-OD2 3.3Å; K1311-D1313 WeakPolarHBondContact CD-OD2 3.36Å; K1311-D1313 PolarHBondContact O-N 3.1Å; D1313-F1315 VanDerWaalsContact C-N 3.28Å; D1313-F1315 PolarHBondContact O-N 2.72Å; D1313-L1316 PolarHBondContact O-N 2.89Å; D1313-N1317 PolarHBondContact O-N 3.3Å
1314	S	42.6	Very low	40.8	Very low	33 Å²	33	81.8 Å²	81.8	23%	0.231	42%	0.423	C	S	.	.	H	α-helix	trans	-70.7	-23.9	178.3	-57.7	0	0	0	0	112.7	K1311 P1312	K1311-S1314 PolarHBondContact N-OG 2.68Å; K1311-S1314 VanDerWaalsContact O-CB 3.27Å; K1311-S1314 WeakPolarHBondContact O-CB 3.45Å; K1311-S1314 PolarHBondContact O-N 3Å; P1312-S1314 PolarHBondContact O-N 3.37Å
1315	F	42.9	Very low	40.5	Very low	58 Å²	58	82.8 Å²	82.8	25%	0.254	43%	0.429	S	S	.	.	H	α-helix	trans	-83	-28.8	174.1	-68.6	-85.6	0	0	0	112.2	L1298 L1305 F1310 K1311 P1312 D1313 N1317 L1318	L1298-F1315 HydrophobicContact CD1-CE1 3.62Å; L1298-F1315 HydrophobicContact CD1-CZ 4.08Å; L1305-F1315 HydrophobicContact CD1-CZ 3.96Å; L1305-F1315 HydrophobicContact CD2-CZ 4.12Å; F1310-F1315 HydrophobicContact CB-CE2 4.21Å; F1310-F1315 HydrophobicContact CD1-CE2 4.41Å; F1310-F1315 HydrophobicContact CD1-CZ 4.31Å; K1311-F1315 WeakPolarHBondContact O-CD2 3.46Å; P1312-F1315 PolarHBondContact O-N 2.79Å; D1313-F1315 VanDerWaalsContact C-N 3.28Å; D1313-F1315 PolarHBondContact O-N 2.72Å; F1315-N1317 PolarHBondContact O-N 3.09Å; F1315-L1318 HydrophobicContact CD1-CD1 4.32Å; F1315-L1318 PolarHBondContact O-N 3.25Å
1316	L	38.4	Very low	40.1	Very low	83 Å²	83	86.9 Å²	86.9	44%	0.435	45%	0.45	S	S	.	.	H	α-helix	trans	-64.7	-30.2	168.5	-79.8	138.9	0	0	0	112	F1267 D1313 L1318	F1267-L1316 HydrophobicContact CD1-CD2 4.49Å; F1267-L1316 HydrophobicContact CE1-CD2 3.54Å; F1267-L1316 HydrophobicContact CE1-CG 4.33Å; F1267-L1316 HydrophobicContact CZ-CD2 3.55Å; D1313-L1316 PolarHBondContact O-N 2.89Å; L1316-L1318 VanDerWaalsContact C-N 3.32Å
1317	N	40.8	Very low	39.6	Very low	96 Å²	96	83.8 Å²	83.8	51%	0.513	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	12.6	174.3	-60	-13.8	0	0	0	114	D1313 F1315	D1313-N1317 PolarHBondContact O-N 3.3Å; F1315-N1317 PolarHBondContact O-N 3.09Å
1318	L	37.2	Very low	39.5	Very low	59 Å²	59	83.9 Å²	83.9	31%	0.309	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	4.8	167.8	-83.7	164.5	0	0	0	111.7	I1296 F1310 F1315 L1316	I1296-L1318 HydrophobicContact CD1-CD2 4.31Å; F1310-L1318 HydrophobicContact CE1-CD1 4.4Å; F1315-L1318 HydrophobicContact CD1-CD1 4.32Å; F1315-L1318 PolarHBondContact O-N 3.25Å; L1316-L1318 VanDerWaalsContact C-N 3.32Å
1319	R	32.5	Very low	39.5	Very low	105 Å²	105	85.2 Å²	85.2	40%	0.396	43%	0.433	S	S	.	.			trans	-119.4	9.6	179.2	-153.7	-165.8	-170.3	170.7	9.8	112	F1267 S1270	F1267-R1319 VanDerWaalsContact CE1-NH1 3.32Å; F1267-R1319 PolarHBondContact O-NH1 3.07Å; F1267-R1319 PolarHBondContact O-NH2 3.21Å; S1270-R1319 PolarHBondContact O-NH2 3.42Å; S1270-R1319 PolarHBondContact OG-NH2 2.87Å
1320	K	33.5	Very low	39.7	Very low	235 Å²	235	88.2 Å²	88.2	100%	1.022	42%	0.423	S	S	*	.			trans	-139.3	0	175.8	-68	-170.5	174.7	-164.6	0	106.7

Retrieved 1,320 of 1,320 residues in 278 ms (Link to these results)

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