A0A096N6J6_PAPAN Loading...

Deubiquitinase MYSM1

AlphaFold DB , UniProt , Accession A0A096N6J6, Species PAPAN (Papio anubis, Olive baboon), Gene MYSM1, Length 877 aa.

						>A0A096N6J6_PAPAN|A0A096N6J6|MYSM1
MAAEEADVDIEGDVVAAAGAQPGSDKTTASVLQKDHYLDSSWRTENGLIPWTLDNTISEENRAVIEKMLLEEEYYLSKKSLPEKVWLDQKEDDKKYMKSLQKTAKIMVHSPTKPASYSVKWTIEEKELFEQGLAKFGRRWTKISKLIGSRTVLQVKSYARQYFKNKVKCGLEKETPNQKNGHNLQVKNEDKGTKAWTPSCLRGRADPNLNAVKIEKLSDDEEVDITDEVDELSSQTPQNNSSSDLLLDFANSKMHETNQEFIASDSQEALFSKPSRDCLQNEKQDKILSSSEIILWTEKQSNSDKKSVELNDQKFNELIKNCNKQDGRGIIFDARQLPSPEPCEIQKDLNDNGMLFPSSCQMVEESHEEEELKPPEQEIEIDRNIIQEEEKQAIPEFFEGRQAKTPERYLKIRNYILDQWEICKPKYLNKTSVRPGLKNCGDVNCIGRIHTYLELIGAINFGCEQAVYNRPQTVDKVRIRDRKDAVEAYQLAQRLQSMRTRRRRVRDPWGNWCDAKDLEGQTFEHLSAEELAKRREEEKSRPVKSLKVPRPTKSSFDPFQLIPCNFFSEEKQEPFQVKVASEALLIMDLHAHVSMAEVIGLLGGRYSEVDKVVEVCAAEPCNSLSTGLQCEMDPVSQTQASETLAVRGYSVIGWYHSHPAFDPNPSLRDIDTQAKYQSYFSRGGAKFIGMIVSPYNRNNPLPYSQITCLVISEEISADGSYRLPYKFEVQQMLEEPQWGLVFEKTRWIIEKYRLSHSSVPMDKIFRRDSDLTCLQKLLECMRKTLSKVTNCFMAEEFLTEIENLFLSNYKSNQENGVTEENCTKELLMYPHCCHCQPWATTEDNGARALEKHRGSLELRGPMTQEVQDAGSQRNTCL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.4	Very low	33.9	Very low	248 Å²	248	147.5 Å²	147.5	100%	1.222	82%	0.819	S	S	*	*				0	178.3	0	-70	178.1	178.9	0	0	107.8
2	A	32.8	Very low	33.4	Very low	99 Å²	99	140.2 Å²	140.2	82%	0.818	80%	0.802	S	S	*	*			trans	-34.7	143.6	179.7	0	0	0	0	0	115.3
3	A	33.3	Very low	33.3	Very low	89 Å²	89	141.2 Å²	141.2	74%	0.736	80%	0.803	S	S	*	*			cis	115.6	170.8	25	0	0	0	0	0	110
4	E	36	Very low	33.3	Very low	184 Å²	184	139.2 Å²	139.2	86%	0.86	80%	0.795	S	S	*	*			trans	70.9	125.6	-170.3	-55.9	176.6	162.7	0	0	112.5
5	E	33.4	Very low	33.1	Very low	188 Å²	188	139.1 Å²	139.1	88%	0.879	80%	0.798	S	S	*	*			cis	78	145.9	43.9	-66.3	-172.3	-151.7	0	0	114.1
6	A	37.3	Very low	33	Very low	74 Å²	74	136.2 Å²	136.2	61%	0.612	80%	0.796	S	S	*	*			cis	-170.9	154.2	-25.2	0	0	0	0	0	109.1
7	D	29.9	Very low	32.7	Very low	159 Å²	159	134.1 Å²	134.1	85%	0.85	80%	0.797	S	S	*	*			trans	-161.7	127	159.8	-89.1	-41.9	0	0	0	107.3
8	V	36.9	Very low	32.4	Very low	115 Å²	115	132.5 Å²	132.5	70%	0.697	80%	0.802	S	S	*	*			cis	84.3	132.9	36.6	-177.1	0	0	0	0	110.8
9	D	30.7	Very low	32.1	Very low	134 Å²	134	129.5 Å²	129.5	72%	0.717	80%	0.801	S	S	*	*			cis	-149.7	173.3	30.8	-131.3	-9.8	0	0	0	109.7
10	I	39.1	Very low	31.7	Very low	140 Å²	140	128.1 Å²	128.1	72%	0.718	80%	0.802	S	S	*	*			cis	-161.3	177.5	-6.4	-155.9	165.9	0	0	0	109.8
11	E	31	Very low	31.6	Very low	192 Å²	192	130.4 Å²	130.4	90%	0.897	80%	0.803	S	S	*	*			trans	70.2	140.1	166.9	-166	173.9	-73.1	0	0	117
12	G	28.2	Very low	31.8	Very low	60 Å²	60	124.3 Å²	124.3	62%	0.619	78%	0.782	S	S	*	*			cis	-160.3	150.7	-9.4	0	0	0	0	0	108.4
13	D	31.8	Very low	31.3	Very low	153 Å²	153	122.6 Å²	122.6	82%	0.818	77%	0.774	S	S	*	*			cis	84.1	126.8	40.8	-149.1	40.6	0	0	0	112.2
14	V	33.8	Very low	30.9	Very low	114 Å²	114	124 Å²	124	69%	0.691	78%	0.778	S	S	*	*			cis	-138.9	168.5	26.3	-144	0	0	0	0	108
15	V	30.4	Very low	30.5	Very low	138 Å²	138	121 Å²	121	84%	0.836	77%	0.768	S	S	*	*			cis	-153.9	175.5	28.7	-159.8	0	0	0	0	112
16	A	31.6	Very low	30.2	Very low	92 Å²	92	119.8 Å²	119.8	76%	0.76	76%	0.76	S	S	*	*			trans	-81.5	-168.3	-177.3	0	0	0	0	0	115.4
17	A	28	Very low	29.7	Very low	100 Å²	100	122.2 Å²	122.2	83%	0.826	77%	0.767	S	S	*	*			cis	-162	176	18.3	0	0	0	0	0	115.5
18	A	26.9	Very low	29.4	Very low	106 Å²	106	120.7 Å²	120.7	88%	0.876	76%	0.764	S	S	*	*			trans	-148.1	171.7	167.6	0	0	0	0	0	108.9
19	G	26.6	Very low	28.9	Very low	76 Å²	76	119.9 Å²	119.9	78%	0.784	77%	0.769	S	S	*	*			cis	172.9	160.2	-1.6	0	0	0	0	0	109.7
20	A	24	Very low	28.7	Very low	100 Å²	100	118.8 Å²	118.8	83%	0.826	77%	0.772	S	S	*	*			trans	-154.2	164.4	-175.4	0	0	0	0	0	115.7
21	Q	30.3	Very low	28.2	Very low	178 Å²	178	118.4 Å²	118.4	83%	0.832	78%	0.776	S	S	*	*			trans	-141.4	170.2	176.5	-76.3	-72.8	-28.6	0	0	107.6
22	P	35.1	Very low	28	Very low	120 Å²	120	117.8 Å²	117.8	78%	0.779	78%	0.778	S	S	*	*			cis	-139.2	-173	12.7	43.7	-26	0	0	0	116
23	G	23.7	Very low	28.1	Very low	62 Å²	62	123.7 Å²	123.7	64%	0.639	79%	0.789	S	S	*	*			trans	122	106.9	137.9	0	0	0	0	0	121.8
24	S	24.9	Very low	27.9	Very low	119 Å²	119	125.2 Å²	125.2	83%	0.832	79%	0.789	S	S	*	*			trans	54.8	116.2	144.6	63.8	0	0	0	0	124.6
25	D	26.5	Very low	27.6	Very low	120 Å²	120	127.2 Å²	127.2	64%	0.642	80%	0.796	S	S	*	*			trans	71.4	113.5	133	-94.3	10.8	0	0	0	125.4
26	K	28.6	Very low	27.5	Very low	164 Å²	164	129.3 Å²	129.3	71%	0.713	80%	0.796	S	S	*	*			trans	53	135.6	131.1	-55.5	176.1	-178.1	85.4	0	118.9
27	T	25.7	Very low	27.4	Very low	124 Å²	124	133.9 Å²	133.9	76%	0.761	80%	0.795	S	S	*	*			cis	-164.2	152	14.9	-8.9	0	0	0	0	107
28	T	24.8	Very low	27.8	Very low	128 Å²	128	136.7 Å²	136.7	79%	0.785	80%	0.795	S	S	*	*				-176.1	167.1	69.7	44.5	0	0	0	0	112.7
29	A	24.5	Very low	28.1	Very low	97 Å²	97	134.2 Å²	134.2	80%	0.802	77%	0.767	S	S	*	*			trans	80.2	115.9	153.1	0	0	0	0	0	121.3
30	S	28.4	Very low	28.6	Very low	112 Å²	112	135.7 Å²	135.7	78%	0.783	77%	0.765	S	S	*	*			trans	-60.1	142.8	169.2	-49.4	0	0	0	0	112.6
31	V	26.9	Very low	29.3	Very low	131 Å²	131	134.1 Å²	134.1	79%	0.794	75%	0.749	S	S	*	*				62	100.5	60	-177	0	0	0	0	113
32	L	28.3	Very low	30.1	Very low	179 Å²	179	131.7 Å²	131.7	94%	0.937	73%	0.732	S	S	*	*			trans	-143.2	92	159.8	-87	174.7	0	0	0	107.6
33	Q	30.4	Very low	30.2	Very low	184 Å²	184	136.2 Å²	136.2	86%	0.86	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-93.5	141.5	159	-78.6	-176.2	-27.8	0	0	108.1
34	K	27.5	Very low	30.7	Very low	185 Å²	185	138.4 Å²	138.4	80%	0.804	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-85.6	135.6	173.2	-78.2	-176.4	171.3	-174.8	0	109.3	H36	K34-H36 PolarHBondContact O-N 2.88Å
35	D	26.1	Very low	31.1	Very low	156 Å²	156	141.7 Å²	141.7	83%	0.834	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-60.7	119.3	166.8	-59.2	-72.6	0	0	0	110.4	Y37	D35-Y37 PolarHBondContact O-N 2.57Å; D35-Y37 VanDerWaalsContact O-N 3.11Å
36	H	29.1	Very low	31.4	Very low	182 Å²	182	143 Å²	143	84%	0.843	74%	0.744	S	S	*	*			trans	-80.3	87.9	170.6	-86	-98.7	0	0	0	109	K34	K34-H36 PolarHBondContact O-N 2.88Å
37	Y	29.9	Very low	31.7	Very low	188 Å²	188	138.8 Å²	138.8	74%	0.737	75%	0.747	S	S	*	*			trans	-63.2	150.2	165.3	-137.5	-96.8	0	0	0	110.1	D35	D35-Y37 PolarHBondContact O-N 2.57Å; D35-Y37 VanDerWaalsContact O-N 3.11Å
38	L	36	Very low	31.9	Very low	160 Å²	160	140.6 Å²	140.6	84%	0.838	75%	0.751	S	S	*	*			trans	74	128	-172.3	-50	177.8	0	0	0	115.2
39	D	33.5	Very low	32.2	Very low	54 Å²	54	141.4 Å²	141.4	29%	0.289	75%	0.749	S	S	.	*			trans	-135.9	122.9	-177.4	-175.1	3.8	0	0	0	107.5	S41 R697 R767	D39-S41 VanDerWaalsContact C-N 3.29Å; D39-S41 PolarHBondContact O-N 3.34Å; D39-R697 IonicContact OD2-CZ 3.5Å; D39-R697 IonicContact OD2-NH1 2.9Å; D39-R697 PolarHBondContact OD2-NH1 3.11Å; D39-R697 IonicContact OD2-NH2 3.99Å; D39-R697 PolarHBondContact OD2-NH2 3.22Å; D39-R767 VanDerWaalsContact CG-NH1 3.34Å; D39-R767 IonicContact OD1-CZ 2.69Å; D39-R767 IonicContact OD1-NH1 2.87Å; D39-R767 PolarHBondContact OD1-NH1 3.01Å; D39-R767 IonicContact OD1-NH2 2.76Å; D39-R767 PolarHBondContact OD1-NH2 3.12Å; D39-R767 IonicContact OD2-CZ 2.85Å; D39-R767 IonicContact OD2-NH1 2.73Å; D39-R767 PolarHBondContact OD2-NH1 3.08Å; D39-R767 IonicContact OD2-NH2 2.61Å; D39-R767 PolarHBondContact OD2-NH2 3.49Å
40	S	37.2	Very low	32.8	Very low	106 Å²	106	141.2 Å²	141.2	74%	0.741	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-70.7	-6.5	-141.2	-55.1	0	0	0	0	118.2	W42 R43	S40-W42 PolarHBondContact O-N 2.73Å; S40-W42 VanDerWaalsContact O-N 3.15Å; S40-R43 PolarHBondContact O-N 2.88Å
41	S	37.1	Very low	32.9	Very low	68 Å²	68	147.8 Å²	147.8	48%	0.476	75%	0.747	S	S	.	*	G	3₁₀ helix	trans	-73.2	0.4	-175.5	60.2	0	0	0	0	115.4	D39 R767	D39-S41 VanDerWaalsContact C-N 3.29Å; D39-S41 PolarHBondContact O-N 3.34Å; S41-R767 VanDerWaalsContact CB-NH2 3.31Å; S41-R767 PolarHBondContact OG-NE 3.36Å; S41-R767 VanDerWaalsContact OG-NE 3.1Å; S41-R767 PolarHBondContact OG-NH2 3.27Å
42	W	49.1	Very low	33.4	Very low	126 Å²	126	146.9 Å²	146.9	48%	0.477	74%	0.742	S	S	.	*	G	3₁₀ helix	trans	-90.3	-1.1	174.3	-63.2	97	0	0	0	113.4	S40 P760 K763	S40-W42 PolarHBondContact O-N 2.73Å; S40-W42 VanDerWaalsContact O-N 3.15Å; W42-P760 HydrophobicContact CZ3-CG 4.12Å; W42-K763 HydrophobicContact CE3-CD 4.45Å; W42-K763 HydrophobicContact CZ3-CB 4.33Å; W42-K763 HydrophobicContact CZ3-CD 4.08Å
43	R	36.9	Very low	34.2	Very low	215 Å²	215	140.9 Å²	140.9	81%	0.811	71%	0.711	S	S	*	*	S	Bend	trans	-82.4	129.7	160.9	-68.3	-168.1	-178.6	-84.3	0.9	109.1	S40	S40-R43 PolarHBondContact O-N 2.88Å
44	T	33.6	Very low	34.7	Very low	108 Å²	108	138 Å²	138	66%	0.663	70%	0.702	S	S	*	*			trans	-55.5	139.9	-179.9	-47.5	0	0	0	0	112.2	N46	T44-N46 VanDerWaalsContact C-N 3.28Å; T44-N46 PolarHBondContact O-N 3.46Å
45	E	32.6	Very low	35.7	Very low	189 Å²	189	137.7 Å²	137.7	88%	0.883	71%	0.708	S	S	*	*	S	Bend	trans	-69.3	85.2	166.8	-66.7	-169.8	140.8	0	0	110.4
46	N	32.6	Very low	36.8	Very low	147 Å²	147	136.6 Å²	136.6	79%	0.786	71%	0.708	S	S	*	*			trans	-148.4	94.8	157.6	-104.5	-23.1	0	0	0	107.3	T44	T44-N46 VanDerWaalsContact C-N 3.28Å; T44-N46 PolarHBondContact O-N 3.46Å
47	G	34.6	Very low	38.2	Very low	76 Å²	76	130.9 Å²	130.9	78%	0.784	68%	0.683	S	S	*	*			trans	-68.9	141	179.3	0	0	0	0	0	111.7
48	L	31.7	Very low	40.3	Very low	161 Å²	161	124.4 Å²	124.4	84%	0.843	67%	0.665	S	S	*	*			trans	64.6	71	169.1	-65.8	163.7	0	0	0	116.9
49	I	30.3	Very low	41.9	Very low	146 Å²	146	125 Å²	125	75%	0.749	66%	0.664	S	S	*	*				-118.6	105	127.6	-56.8	-179.6	0	0	0	107.5
50	P	36.4	Very low	43.4	Very low	92 Å²	92	130 Å²	130	60%	0.597	69%	0.685	S	S	*	*			trans	-60.9	148.1	166.4	-18.4	31.9	0	0	0	109.9	T52	P50-T52 PolarHBondContact O-N 3.26Å
51	W	30.6	Very low	44.6	Very low	251 Å²	251	129.2 Å²	129.2	95%	0.951	67%	0.672	S	S	*	*			trans	-54.1	90.6	-175.8	-75.2	78.6	0	0	0	113.5
52	T	38.2	Very low	46.5	Very low	111 Å²	111	131.7 Å²	131.7	68%	0.681	67%	0.671	S	S	*	*			trans	-81.6	113.1	164.5	48.9	0	0	0	0	107.9	P50	P50-T52 PolarHBondContact O-N 3.26Å
53	L	44.3	Very low	47.5	Very low	53 Å²	53	128.3 Å²	128.3	28%	0.277	67%	0.671	S	S	.	*			trans	-61.4	143.7	168.2	-68.3	82.7	0	0	0	109	N55 I57 R62 I65	L53-N55 PolarHBondContact O-N 2.98Å; L53-I57 HydrophobicContact CB-CG2 4.03Å; L53-I57 HydrophobicContact CD2-CD1 3.86Å; L53-I57 HydrophobicContact CD2-CG2 4.18Å; L53-R62 HydrophobicContact CD1-CG 4.32Å; L53-R62 HydrophobicContact CD2-CB 4.37Å; L53-R62 HydrophobicContact CD2-CG 4.17Å; L53-I65 HydrophobicContact CD2-CD1 3.86Å
54	D	40.4	Very low	49.2	Very low	125 Å²	125	122 Å²	122	67%	0.668	66%	0.656	S	S	*	*			trans	-54.6	138.2	178	-65.8	-56.3	0	0	0	111.6	T56 I57	D54-T56 PolarHBondContact O-N 3.04Å; D54-I57 WeakPolarHBondContact O-CG2 3.48Å; D54-I57 PolarHBondContact O-N 3.39Å
55	N	48.6	Very low	50.8	Low	177 Å²	177	120.1 Å²	120.1	95%	0.947	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	11.2	177.8	-70.3	-38	0	0	0	114.1	L53	L53-N55 PolarHBondContact O-N 2.98Å
56	T	49.4	Very low	52.6	Low	134 Å²	134	115 Å²	115	82%	0.822	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-13.2	171.6	57.5	0	0	0	0	112.8	D54	D54-T56 PolarHBondContact O-N 3.04Å
57	I	60.1	Low	54.6	Low	61 Å²	61	114.9 Å²	114.9	31%	0.313	61%	0.609	S	S	.	*	S	Bend	trans	-83.3	140.7	177.7	-152.7	175.1	0	0	0	111.3	L53 D54 N61 R62 I65	L53-I57 HydrophobicContact CB-CG2 4.03Å; L53-I57 HydrophobicContact CD2-CD1 3.86Å; L53-I57 HydrophobicContact CD2-CG2 4.18Å; D54-I57 WeakPolarHBondContact O-CG2 3.48Å; D54-I57 PolarHBondContact O-N 3.39Å; I57-N61 HydrophobicContact CD1-CB 3.95Å; I57-N61 HydrophobicContact CG1-CB 3.77Å; I57-R62 HydrophobicContact CG2-CB 4.33Å; I57-I65 HydrophobicContact CD1-CD1 3.68Å
58	S	72.4	Confident	56.2	Low	52 Å²	52	116.5 Å²	116.5	36%	0.364	60%	0.598	S	S	.	*			trans	-70.7	147.9	174	63.4	0	0	0	0	111.8	E60 N61 R62	S58-E60 PolarHBondContact O-N 3.01Å; S58-N61 WeakPolarHBondContact O-CB 3.32Å; S58-N61 PolarHBondContact O-N 2.95Å; S58-N61 VanDerWaalsContact OG-CG 3.3Å; S58-N61 PolarHBondContact OG-N 3.24Å; S58-N61 PolarHBondContact OG-ND2 2.99Å; S58-R62 PolarHBondContact O-N 3.22Å
59	E	69.2	Low	57.8	Low	174 Å²	174	113.8 Å²	113.8	81%	0.813	58%	0.584	S	S	*	*	H	α-helix	trans	-58.6	-35.4	179.6	-168.2	164.9	-149.2	0	0	112.4	R62 A63	E59-R62 PolarHBondContact O-N 2.99Å; E59-A63 WeakPolarHBondContact O-CB 3.32Å; E59-A63 PolarHBondContact O-N 3.43Å
60	E	65.6	Low	59.5	Low	158 Å²	158	112.1 Å²	112.1	74%	0.738	58%	0.576	S	S	*	*	H	α-helix	trans	-60.2	-44.9	172	-60.7	-175.8	132.8	0	0	112.6	S58 A63 V64	S58-E60 PolarHBondContact O-N 3.01Å; E60-A63 PolarHBondContact O-N 3.21Å; E60-V64 WeakPolarHBondContact O-CG2 3.49Å; E60-V64 PolarHBondContact O-N 3.1Å; E60-V64 VanDerWaalsContact O-N 3.12Å
61	N	63.4	Low	60.9	Low	89 Å²	89	112.5 Å²	112.5	48%	0.476	57%	0.57	S	S	.	*	H	α-helix	trans	-68.2	-39	178.5	-78	-18	0	0	0	111.1	I57 S58 V64 I65	I57-N61 HydrophobicContact CD1-CB 3.95Å; I57-N61 HydrophobicContact CG1-CB 3.77Å; S58-N61 WeakPolarHBondContact O-CB 3.32Å; S58-N61 PolarHBondContact O-N 2.95Å; S58-N61 VanDerWaalsContact OG-CG 3.3Å; S58-N61 PolarHBondContact OG-N 3.24Å; S58-N61 PolarHBondContact OG-ND2 2.99Å; N61-V64 PolarHBondContact O-N 3.31Å; N61-I65 WeakPolarHBondContact O-CG1 3.41Å; N61-I65 PolarHBondContact O-N 3.42Å; N61-I65 VanDerWaalsContact O-N 3.07Å
62	R	76.4	Confident	62.5	Low	120 Å²	120	105.9 Å²	105.9	45%	0.453	55%	0.549	S	S	.	.	H	α-helix	trans	-60.5	-48.6	174.9	179.4	173.9	174.2	-173.2	-4.2	111.6	L53 I57 S58 E59 V64 I65 E66	L53-R62 HydrophobicContact CD1-CG 4.32Å; L53-R62 HydrophobicContact CD2-CB 4.37Å; L53-R62 HydrophobicContact CD2-CG 4.17Å; I57-R62 HydrophobicContact CG2-CB 4.33Å; S58-R62 PolarHBondContact O-N 3.22Å; E59-R62 PolarHBondContact O-N 2.99Å; R62-V64 VanDerWaalsContact C-N 3.26Å; R62-V64 PolarHBondContact O-N 3.47Å; R62-I65 PolarHBondContact O-N 3.43Å; R62-I65 VanDerWaalsContact O-N 3.12Å; R62-E66 IonicContact CZ-OE1 3.28Å; R62-E66 VanDerWaalsContact CZ-OE1 3.25Å; R62-E66 IonicContact NE-OE1 3.43Å; R62-E66 PolarHBondContact NE-OE1 2.92Å; R62-E66 IonicContact NH2-OE1 3.48Å; R62-E66 PolarHBondContact NH2-OE1 2.88Å; R62-E66 PolarHBondContact O-N 2.96Å
63	A	70	Confident	63.4	Low	56 Å²	56	106.5 Å²	106.5	46%	0.463	54%	0.544	S	S	.	.	H	α-helix	trans	-62.5	-31.7	178	0	0	0	0	0	113	E59 E60 K67	E59-A63 WeakPolarHBondContact O-CB 3.32Å; E59-A63 PolarHBondContact O-N 3.43Å; E60-A63 PolarHBondContact O-N 3.21Å; A63-K67 WeakPolarHBondContact O-CB 3.22Å; A63-K67 PolarHBondContact O-N 2.85Å; A63-K67 VanDerWaalsContact O-N 3.09Å
64	V	72.3	Confident	64.3	Low	83 Å²	83	111 Å²	111	50%	0.503	56%	0.559	S	S	.	*	H	α-helix	trans	-68.1	-41.7	172.7	168.6	0	0	0	0	111.8	E60 N61 R62 K67 M68	E60-V64 WeakPolarHBondContact O-CG2 3.49Å; E60-V64 PolarHBondContact O-N 3.1Å; E60-V64 VanDerWaalsContact O-N 3.12Å; N61-V64 PolarHBondContact O-N 3.31Å; R62-V64 VanDerWaalsContact C-N 3.26Å; R62-V64 PolarHBondContact O-N 3.47Å; V64-K67 PolarHBondContact O-N 2.88Å; V64-M68 HydrophobicContact CG1-SD 4.43Å; V64-M68 WeakPolarHBondContact O-CG 3.19Å; V64-M68 PolarHBondContact O-N 2.95Å
65	I	66.8	Low	64.9	Low	67 Å²	67	112.6 Å²	112.6	34%	0.344	56%	0.557	S	S	.	*	H	α-helix	trans	-66.2	-49.3	178.5	-67.6	163	0	0	0	110.8	L53 I57 N61 R62 K67 M68 L69	L53-I65 HydrophobicContact CD2-CD1 3.86Å; I57-I65 HydrophobicContact CD1-CD1 3.68Å; N61-I65 WeakPolarHBondContact O-CG1 3.41Å; N61-I65 PolarHBondContact O-N 3.42Å; N61-I65 VanDerWaalsContact O-N 3.07Å; R62-I65 PolarHBondContact O-N 3.43Å; R62-I65 VanDerWaalsContact O-N 3.12Å; I65-K67 VanDerWaalsContact C-N 3.26Å; I65-K67 PolarHBondContact O-N 3.17Å; I65-M68 PolarHBondContact O-N 2.86Å; I65-M68 VanDerWaalsContact O-N 3.12Å; I65-L69 HydrophobicContact CG2-CD1 4.1Å; I65-L69 WeakPolarHBondContact O-CG 3.5Å; I65-L69 PolarHBondContact O-N 2.78Å
66	E	71.8	Confident	65	Low	83 Å²	83	111.2 Å²	111.2	39%	0.388	55%	0.548	S	S	.	.	H	α-helix	trans	-58.9	-39.7	177.1	-70.6	176.6	-179.4	0	0	111.2	R62 L69 L70	R62-E66 IonicContact CZ-OE1 3.28Å; R62-E66 VanDerWaalsContact CZ-OE1 3.25Å; R62-E66 IonicContact NE-OE1 3.43Å; R62-E66 PolarHBondContact NE-OE1 2.92Å; R62-E66 IonicContact NH2-OE1 3.48Å; R62-E66 PolarHBondContact NH2-OE1 2.88Å; R62-E66 PolarHBondContact O-N 2.96Å; E66-L69 PolarHBondContact O-N 2.93Å; E66-L70 WeakPolarHBondContact O-CG 3.5Å; E66-L70 PolarHBondContact O-N 3.31Å; E66-L70 VanDerWaalsContact O-N 3.12Å
67	K	74.4	Confident	65.4	Low	144 Å²	144	107.6 Å²	107.6	63%	0.626	53%	0.528	S	S	*	.	H	α-helix	trans	-65.1	-40	174.3	-177.1	177.6	177.9	-179.7	0	113.5	A63 V64 I65 L70 E71	A63-K67 WeakPolarHBondContact O-CB 3.22Å; A63-K67 PolarHBondContact O-N 2.85Å; A63-K67 VanDerWaalsContact O-N 3.09Å; V64-K67 PolarHBondContact O-N 2.88Å; I65-K67 VanDerWaalsContact C-N 3.26Å; I65-K67 PolarHBondContact O-N 3.17Å; K67-L70 PolarHBondContact O-N 2.89Å; K67-E71 PolarHBondContact O-N 2.82Å
68	M	66.9	Low	64.6	Low	109 Å²	109	113.9 Å²	113.9	54%	0.537	55%	0.554	S	S	.	*	H	α-helix	trans	-65.5	-41.5	177.4	-78.8	-177	58.9	0	0	111.7	V64 I65 L70 E71 E72	V64-M68 HydrophobicContact CG1-SD 4.43Å; V64-M68 WeakPolarHBondContact O-CG 3.19Å; V64-M68 PolarHBondContact O-N 2.95Å; I65-M68 PolarHBondContact O-N 2.86Å; I65-M68 VanDerWaalsContact O-N 3.12Å; M68-L70 PolarHBondContact O-N 2.89Å; M68-E71 PolarHBondContact O-N 2.87Å; M68-E72 PolarHBondContact O-N 3.04Å
69	L	65.9	Low	63.1	Low	104 Å²	104	119.3 Å²	119.3	55%	0.545	57%	0.57	S	S	.	*	H	α-helix	trans	-63.2	-40.8	177.1	-67.2	168.9	0	0	0	111.9	I65 E66 E71 E72 E73	I65-L69 HydrophobicContact CG2-CD1 4.1Å; I65-L69 WeakPolarHBondContact O-CG 3.5Å; I65-L69 PolarHBondContact O-N 2.78Å; E66-L69 PolarHBondContact O-N 2.93Å; L69-E71 VanDerWaalsContact C-N 3.34Å; L69-E71 PolarHBondContact O-N 3.24Å; L69-E72 PolarHBondContact O-N 3.31Å; L69-E73 PolarHBondContact O-N 3.03Å
70	L	66.9	Low	61.6	Low	112 Å²	112	116.6 Å²	116.6	59%	0.586	57%	0.571	S	S	*	*	H	α-helix	trans	-66.1	-33	173.6	-70.8	167.7	0	0	0	112.9	E66 K67 M68 Y74	E66-L70 WeakPolarHBondContact O-CG 3.5Å; E66-L70 PolarHBondContact O-N 3.31Å; E66-L70 VanDerWaalsContact O-N 3.12Å; K67-L70 PolarHBondContact O-N 2.89Å; M68-L70 PolarHBondContact O-N 2.89Å; L70-Y74 WeakPolarHBondContact O-CB 3.48Å; L70-Y74 PolarHBondContact O-N 2.88Å; L70-Y74 VanDerWaalsContact O-N 3.11Å
71	E	64.4	Low	60.1	Low	100 Å²	100	116.5 Å²	116.5	47%	0.467	58%	0.575	S	S	.	*	H	α-helix	trans	-69.7	-39.8	174	-173.4	166.9	177	0	0	111.4	K67 M68 L69 Y74 Y75	K67-E71 PolarHBondContact O-N 2.82Å; M68-E71 PolarHBondContact O-N 2.87Å; L69-E71 VanDerWaalsContact C-N 3.34Å; L69-E71 PolarHBondContact O-N 3.24Å; E71-Y74 PolarHBondContact O-N 3.44Å; E71-Y75 HydrophobicContact CG-CD2 4.02Å; E71-Y75 HydrophobicContact CG-CE2 3.67Å; E71-Y75 WeakPolarHBondContact O-CD2 3.46Å; E71-Y75 PolarHBondContact O-N 2.89Å
72	E	65.9	Low	58.7	Low	112 Å²	112	117.8 Å²	117.8	52%	0.523	59%	0.588	S	S	.	*	H	α-helix	trans	-66	-44.5	173.9	-70.7	-174.4	162.6	0	0	112.4	M68 L69 Y74 Y75 L76	M68-E72 PolarHBondContact O-N 3.04Å; L69-E72 PolarHBondContact O-N 3.31Å; E72-Y74 VanDerWaalsContact C-N 3.3Å; E72-Y74 PolarHBondContact O-N 2.74Å; E72-Y75 PolarHBondContact O-N 2.85Å; E72-L76 WeakPolarHBondContact O-CB 3.23Å; E72-L76 VanDerWaalsContact O-CG 3.26Å; E72-L76 WeakPolarHBondContact O-CG 3.41Å; E72-L76 PolarHBondContact O-N 3.35Å
73	E	57.2	Low	56.7	Low	124 Å²	124	121 Å²	121	58%	0.579	61%	0.608	S	S	*	*	H	α-helix	trans	-60.6	-38.8	176.1	-172.5	177.4	-168.6	0	0	112.1	L69 L76 S77	L69-E73 PolarHBondContact O-N 3.03Å; E73-L76 PolarHBondContact O-N 3.02Å; E73-S77 WeakPolarHBondContact O-CB 3.3Å; E73-S77 PolarHBondContact O-N 3.37Å; E73-S77 PolarHBondContact O-OG 2.73Å
74	Y	62.7	Low	55.3	Low	147 Å²	147	127.8 Å²	127.8	58%	0.576	63%	0.627	S	S	*	*	H	α-helix	trans	-61	-46.9	174.2	173.5	-102.1	0	0	0	112.3	L70 E71 E72 L76	L70-Y74 WeakPolarHBondContact O-CB 3.48Å; L70-Y74 PolarHBondContact O-N 2.88Å; L70-Y74 VanDerWaalsContact O-N 3.11Å; E71-Y74 PolarHBondContact O-N 3.44Å; E72-Y74 VanDerWaalsContact C-N 3.3Å; E72-Y74 PolarHBondContact O-N 2.74Å; Y74-L76 PolarHBondContact O-N 3.34Å
75	Y	53.6	Low	53.4	Low	159 Å²	159	130 Å²	130	62%	0.624	64%	0.64	S	S	*	*	H	α-helix	trans	-70	-29.7	178.9	-77.2	-62.2	0	0	0	113.6	E71 E72	E71-Y75 HydrophobicContact CG-CD2 4.02Å; E71-Y75 HydrophobicContact CG-CE2 3.67Å; E71-Y75 WeakPolarHBondContact O-CD2 3.46Å; E71-Y75 PolarHBondContact O-N 2.89Å; E72-Y75 PolarHBondContact O-N 2.85Å
76	L	50.2	Low	51.6	Low	147 Å²	147	138.7 Å²	138.7	77%	0.77	67%	0.669	S	S	*	*	H	α-helix	trans	-79.6	-38.9	179.2	-70.8	168	0	0	0	113.2	E72 E73 Y74	E72-L76 WeakPolarHBondContact O-CB 3.23Å; E72-L76 VanDerWaalsContact O-CG 3.26Å; E72-L76 WeakPolarHBondContact O-CG 3.41Å; E72-L76 PolarHBondContact O-N 3.35Å; E73-L76 PolarHBondContact O-N 3.02Å; Y74-L76 PolarHBondContact O-N 3.34Å
77	S	56.6	Low	49.6	Very low	58 Å²	58	142.4 Å²	142.4	41%	0.406	69%	0.69	S	S	.	*	H	α-helix	trans	-84.3	-25	-167.7	62.5	0	0	0	0	115.7	E73 K79	E73-S77 WeakPolarHBondContact O-CB 3.3Å; E73-S77 PolarHBondContact O-N 3.37Å; E73-S77 PolarHBondContact O-OG 2.73Å; S77-K79 PolarHBondContact O-N 3.3Å; S77-K79 VanDerWaalsContact O-N 3.08Å
78	K	43.5	Very low	47.4	Very low	194 Å²	194	142 Å²	142	84%	0.843	70%	0.695	S	S	*	*			trans	50	28.4	-178.2	-72.3	-169.5	175.1	-178.2	0	115.7
79	K	41.4	Very low	45.4	Very low	165 Å²	165	145.8 Å²	145.8	72%	0.717	71%	0.712	S	S	*	*			trans	-107.2	137.5	171.1	-70.8	180	-179.1	176	0	110.5	S77 L81	S77-K79 PolarHBondContact O-N 3.3Å; S77-K79 VanDerWaalsContact O-N 3.08Å; K79-L81 PolarHBondContact O-N 3Å
80	S	37.5	Very low	43.7	Very low	118 Å²	118	149.4 Å²	149.4	83%	0.825	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-75.7	116.2	170.6	52	0	0	0	0	110.2
81	L	33.6	Very low	42.1	Very low	156 Å²	156	152.4 Å²	152.4	82%	0.817	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-78.4	157	170.1	-84.2	164.1	0	0	0	111.6	K79	K79-L81 PolarHBondContact O-N 3Å
82	P	33.8	Very low	40.4	Very low	116 Å²	116	154.3 Å²	154.3	75%	0.753	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-66.4	148.9	-173.1	-23.6	35.1	0	0	0	115.8	K84	P82-K84 PolarHBondContact O-N 3.26Å
83	E	35.4	Very low	38.6	Very low	186 Å²	186	155.1 Å²	155.1	87%	0.869	76%	0.755	S	S	*	*	S	Bend	trans	-71.7	99.2	172.1	178.8	-179.5	-126.7	0	0	111.3
84	K	40.7	Very low	37.5	Very low	200 Å²	200	158.2 Å²	158.2	87%	0.87	77%	0.767	S	S	*	*			trans	170.2	84.6	151.6	-95.6	158.1	-175.7	177.3	0	113.7	P82	P82-K84 PolarHBondContact O-N 3.26Å
85	V	32.9	Very low	35.9	Very low	128 Å²	128	159.6 Å²	159.6	78%	0.776	78%	0.776	S	S	*	*	S	Bend	trans	-146.3	13.7	160.3	-146.3	0	0	0	0	114.4
86	W	29.1	Very low	34.6	Very low	250 Å²	250	162.8 Å²	162.8	95%	0.947	79%	0.788	S	S	*	*			trans	-140.5	66.3	-179.3	-76.4	94.8	0	0	0	113.6
87	L	28.1	Very low	33.5	Very low	161 Å²	161	163.6 Å²	163.6	84%	0.843	79%	0.79	S	S	*	*			trans	-160.6	145.2	151.2	-126.8	75.4	0	0	0	104.9
88	D	28	Very low	32.2	Very low	136 Å²	136	170 Å²	170	73%	0.727	81%	0.811	S	S	*	*			cis	-151.9	160.5	12.9	-164.1	3.3	0	0	0	110.5
89	Q	26.8	Very low	31.4	Very low	188 Å²	188	165.6 Å²	165.6	88%	0.879	80%	0.804	S	S	*	*			trans	153.2	112.1	153.9	-88.1	175	15.5	0	0	111.6
90	K	29.6	Very low	30.8	Very low	181 Å²	181	164.5 Å²	164.5	79%	0.787	81%	0.806	S	S	*	*			trans	-118.4	173.3	151.4	-78.2	-175.5	176.2	177	0	108.1
91	E	32.1	Very low	30.5	Very low	174 Å²	174	165.1 Å²	165.1	81%	0.813	80%	0.795	S	S	*	*			trans	76	132	167	-66.2	163.3	-152.1	0	0	113.9
92	D	29.3	Very low	30.5	Very low	140 Å²	140	165.8 Å²	165.8	75%	0.749	79%	0.792	S	S	*	*			cis	-158.6	156.2	-10.3	-139.8	-8.4	0	0	0	109.7
93	D	29.1	Very low	30.1	Very low	129 Å²	129	166.4 Å²	166.4	69%	0.69	79%	0.793	S	S	*	*				-178	149	127.3	-133.7	-31.9	0	0	0	112.9
94	K	33.3	Very low	29.8	Very low	189 Å²	189	161.8 Å²	161.8	82%	0.822	79%	0.787	S	S	*	*			trans	-142.1	109.8	172.6	-73.5	175.1	-175.9	159.6	0	110.5
95	K	30.3	Very low	29.3	Very low	177 Å²	177	161.1 Å²	161.1	77%	0.77	78%	0.784	S	S	*	*			trans	-136.2	115.2	165.4	-75.5	-174.6	-178.9	142.5	0	115.7
96	Y	24.8	Very low	29	Very low	226 Å²	226	161.8 Å²	161.8	89%	0.886	78%	0.782	S	S	*	*			trans	77.6	156.7	144.6	-91.3	-99.3	0	0	0	121.8
97	M	27.9	Very low	29	Very low	163 Å²	163	158.2 Å²	158.2	80%	0.803	78%	0.778	S	S	*	*			trans	-137.6	169.3	-172.2	-78	-156.6	79	0	0	111.1
98	K	28	Very low	28.9	Very low	194 Å²	194	155.6 Å²	155.6	84%	0.843	77%	0.768	S	S	*	*			trans	79.3	140.6	169.9	-57.2	172.2	-179.6	174.7	0	113.6
99	S	28.6	Very low	29	Very low	100 Å²	100	157.4 Å²	157.4	70%	0.699	77%	0.772	S	S	*	*			cis	-167.9	-175.1	-8.5	52.3	0	0	0	0	109.2
100	L	28.9	Very low	29.1	Very low	143 Å²	143	153.5 Å²	153.5	75%	0.749	77%	0.766	S	S	*	*			cis	-157	-173.7	18	-160.8	53.9	0	0	0	112.6
101	Q	30.8	Very low	29.2	Very low	131 Å²	131	151.2 Å²	151.2	61%	0.612	77%	0.769	S	S	*	*			trans	-57	171.4	170.5	-63.4	163.3	34	0	0	115
102	K	32.8	Very low	29.3	Very low	170 Å²	170	149.6 Å²	149.6	74%	0.739	77%	0.771	S	S	*	*			cis	-162.6	160.4	4.7	-118	155.5	-169.9	162.1	0	106.5
103	T	25.8	Very low	29.6	Very low	128 Å²	128	152.5 Å²	152.5	79%	0.785	78%	0.777	S	S	*	*				-172	148.1	70.4	37.9	0	0	0	0	113.5
104	A	28.6	Very low	29.8	Very low	89 Å²	89	152.3 Å²	152.3	74%	0.736	78%	0.783	S	S	*	*			trans	17.3	149	134.1	0	0	0	0	0	122.2
105	K	29.9	Very low	29.7	Very low	187 Å²	187	148 Å²	148	81%	0.813	78%	0.782	S	S	*	*			cis	-163.3	130.6	7.6	-125.9	179.1	-177.6	-175.3	0	113.8
106	I	27.6	Very low	29.8	Very low	142 Å²	142	145.3 Å²	145.3	73%	0.728	79%	0.786	S	S	*	*			trans	36.3	117.1	138.8	-48.8	169.7	0	0	0	121.7
107	M	29	Very low	30.2	Very low	175 Å²	175	144.8 Å²	144.8	86%	0.862	78%	0.784	S	S	*	*				-172.2	113.3	112.5	-100.9	-163.9	160.8	0	0	111.1
108	V	26.9	Very low	30.8	Very low	105 Å²	105	142.1 Å²	142.1	64%	0.636	78%	0.781	S	S	*	*				86.8	113.8	94.8	168.9	0	0	0	0	115.1
109	H	29.6	Very low	32.3	Very low	174 Å²	174	137.6 Å²	137.6	81%	0.806	77%	0.77	S	S	*	*				-176.7	132.4	123.5	-103.3	-71.7	0	0	0	114.2
110	S	28.3	Very low	34.3	Very low	107 Å²	107	141.7 Å²	141.7	75%	0.748	78%	0.775	S	S	*	*			trans	51.9	137.6	158	47.8	0	0	0	0	122.5
111	P	31.3	Very low	36.9	Very low	132 Å²	132	137.2 Å²	137.2	86%	0.857	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-102.8	127	-178.1	37.2	-30.9	0	0	0	115.4
112	T	33.6	Very low	39.5	Very low	140 Å²	140	134 Å²	134	86%	0.859	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-94.7	145.6	163.3	-56.5	0	0	0	0	110.4
113	K	36	Very low	41.8	Very low	202 Å²	202	132.5 Å²	132.5	88%	0.878	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-63.1	128.9	-171.8	-58.7	167.3	-173.8	168	0	112
114	P	34	Very low	44.5	Very low	125 Å²	125	133.5 Å²	133.5	81%	0.812	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-74.8	143.2	170.2	30.9	-33.8	0	0	0	111.4
115	A	31.2	Very low	47.4	Very low	97 Å²	97	130.1 Å²	130.1	80%	0.802	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-66.2	140.7	175.1	0	0	0	0	0	111.6	Y117	A115-Y117 PolarHBondContact O-N 3.48Å
116	S	32	Very low	50.3	Low	121 Å²	121	124.8 Å²	124.8	85%	0.846	68%	0.677	S	S	*	*			trans	-80.7	87.6	-175.1	60	0	0	0	0	112.4	S118	S116-S118 PolarHBondContact O-N 3.29Å
117	Y	33.7	Very low	53.2	Low	216 Å²	216	123.1 Å²	123.1	85%	0.847	67%	0.667	S	S	*	*			trans	-54.5	132.8	161.5	-110.8	-95.7	0	0	0	109.8	A115 V119	A115-Y117 PolarHBondContact O-N 3.48Å; Y117-V119 VanDerWaalsContact C-N 3.3Å; Y117-V119 PolarHBondContact O-N 2.86Å
118	S	40	Very low	56.1	Low	106 Å²	106	117.6 Å²	117.6	74%	0.741	64%	0.64	S	S	*	*			trans	-77.3	77.6	-176	48.6	0	0	0	0	111.3	S116 K120	S116-S118 PolarHBondContact O-N 3.29Å; S118-K120 PolarHBondContact O-N 2.75Å
119	V	59	Low	59.2	Low	100 Å²	100	112.6 Å²	112.6	61%	0.606	61%	0.61	S	S	*	*			trans	-54.9	103	-179.9	-173.4	0	0	0	0	109.9	Y117 R150	Y117-V119 VanDerWaalsContact C-N 3.3Å; Y117-V119 PolarHBondContact O-N 2.86Å; V119-R150 PolarHBondContact O-NH1 2.95Å; V119-R150 PolarHBondContact O-NH2 3.1Å; V119-R150 VanDerWaalsContact O-NH2 3.13Å
120	K	71.9	Confident	62.1	Low	186 Å²	186	108.6 Å²	108.6	81%	0.809	59%	0.592	S	S	*	*			trans	-55	142.1	179.1	-64.3	175.1	-178.5	174.1	0	109.3	S118 T122 R150	S118-K120 PolarHBondContact O-N 2.75Å; K120-T122 PolarHBondContact O-N 2.91Å; K120-R150 PolarHBondContact O-NH2 2.79Å
121	W	82.3	Confident	64.9	Low	48 Å²	48	108.1 Å²	108.1	18%	0.182	58%	0.578	C	S	.	*			trans	-68.9	125.9	177.5	-77.3	69.4	0	0	0	109.7	E125 K126 F129 I147 R150 V155 Y158	W121-E125 WeakPolarHBondContact CA-OE2 3.47Å; W121-E125 HydrophobicContact CE3-CB 3.81Å; W121-E125 HydrophobicContact CZ3-CB 4.24Å; W121-K126 HydrophobicContact CB-CG 4.2Å; W121-K126 HydrophobicContact CE3-CG 4.48Å; W121-K126 WeakPolarHBondContact O-CE 3.44Å; W121-K126 PolarHBondContact O-NZ 3.36Å; W121-F129 HydrophobicContact CZ3-CB 4.41Å; W121-I147 HydrophobicContact CH2-CD1 4.42Å; W121-I147 HydrophobicContact CZ3-CD1 4.21Å; W121-R150 HydrophobicContact CH2-CB 4.11Å; W121-R150 HydrophobicContact CH2-CG 3.83Å; W121-R150 HydrophobicContact CZ2-CB 4.41Å; W121-R150 HydrophobicContact CZ2-CG 4.02Å; W121-R150 HydrophobicContact CZ3-CG 4.2Å; W121-V155 HydrophobicContact CH2-CG2 4.2Å; W121-Y158 HydrophobicContact CD2-CD1 4.23Å; W121-Y158 AromaticContact CD2-CD2 3.83Å; W121-Y158 HydrophobicContact CD2-CD2 3.83Å; W121-Y158 HydrophobicContact CD2-CE2 4.27Å; W121-Y158 AromaticContact CD2-CG 3.83Å; W121-Y158 HydrophobicContact CD2-CG 3.83Å; W121-Y158 AromaticContact CE2-CD2 3.83Å; W121-Y158 AromaticContact CE2-CG 3.64Å; W121-Y158 AromaticContact CE3-CD1 3.98Å; W121-Y158 HydrophobicContact CE3-CD1 3.98Å; W121-Y158 HydrophobicContact CE3-CD2 4.37Å; W121-Y158 HydrophobicContact CE3-CE1 4.25Å; W121-Y158 HydrophobicContact CE3-CG 4.06Å; W121-Y158 AromaticContact CG-CD2 4Å; W121-Y158 HydrophobicContact CG-CD2 4Å; W121-Y158 HydrophobicContact CG-CE2 4.22Å; W121-Y158 HydrophobicContact CG-CG 4.48Å; W121-Y158 HydrophobicContact CH2-CD1 4.02Å; W121-Y158 AromaticContact CH2-CG 3.99Å; W121-Y158 HydrophobicContact CH2-CG 3.99Å; W121-Y158 HydrophobicContact CZ2-CD1 4.27Å; W121-Y158 HydrophobicContact CZ2-CD2 4.4Å; W121-Y158 AromaticContact CZ2-CG 3.75Å; W121-Y158 HydrophobicContact CZ2-CG 3.75Å; W121-Y158 AromaticContact CZ3-CD1 3.87Å; W121-Y158 HydrophobicContact CZ3-CD1 3.87Å; W121-Y158 HydrophobicContact CZ3-CE1 4.43Å; W121-Y158 HydrophobicContact CZ3-CG 4.14Å; W121-Y158 AromaticContact NE1-CD2 3.89Å
122	T	86.3	Confident	67.7	Low	63 Å²	63	101.9 Å²	101.9	39%	0.387	54%	0.537	S	S	.	.			trans	-69.1	178.5	176.1	74.8	0	0	0	0	110.6	K120 E125 K126	K120-T122 PolarHBondContact O-N 2.91Å; T122-E125 PolarHBondContact N-OE2 2.89Å; T122-E125 VanDerWaalsContact OG1-CG 3.29Å; T122-E125 WeakPolarHBondContact OG1-CG 3.48Å; T122-E125 PolarHBondContact OG1-N 3.3Å; T122-E125 VanDerWaalsContact OG1-N 3.12Å; T122-K126 VanDerWaalsContact O-CD 3.26Å; T122-K126 WeakPolarHBondContact O-CD 3.37Å; T122-K126 WeakPolarHBondContact O-CE 3.46Å; T122-K126 VanDerWaalsContact O-CG 3.23Å; T122-K126 WeakPolarHBondContact O-CG 3.08Å; T122-K126 PolarHBondContact O-NZ 2.94Å
123	I	80.6	Confident	70.4	Confident	139 Å²	139	96.8 Å²	96.8	71%	0.713	50%	0.504	S	S	*	.	H	α-helix	trans	-74.9	-47	175.5	-62.3	174.9	0	0	0	109.4	E125 K126 E127	I123-E125 PolarHBondContact O-N 3.08Å; I123-K126 WeakPolarHBondContact O-CB 3.43Å; I123-K126 PolarHBondContact O-N 3.18Å; I123-E127 PolarHBondContact O-N 2.95Å
124	E	82.3	Confident	72.9	Confident	149 Å²	149	91.4 Å²	91.4	70%	0.696	50%	0.498	S	S	*	.	H	α-helix	trans	-54.5	-45.6	176.3	-64	154.5	-157.3	0	0	112.8	K126 E127 L128	E124-K126 PolarHBondContact O-N 3.36Å; E124-E127 PolarHBondContact O-N 2.95Å; E124-L128 WeakPolarHBondContact O-CB 3.46Å; E124-L128 WeakPolarHBondContact O-CG 3.36Å; E124-L128 PolarHBondContact O-N 3.4Å
125	E	89.9	Confident	75.3	Confident	18 Å²	18	92.9 Å²	92.9	8%	0.084	49%	0.491	C	S	.	.	H	α-helix	trans	-62.9	-29.4	178.1	-72.7	177.1	136.9	0	0	113.3	W121 T122 I123 F129 I147 S149 R150	W121-E125 WeakPolarHBondContact CA-OE2 3.47Å; W121-E125 HydrophobicContact CE3-CB 3.81Å; W121-E125 HydrophobicContact CZ3-CB 4.24Å; T122-E125 PolarHBondContact N-OE2 2.89Å; T122-E125 VanDerWaalsContact OG1-CG 3.29Å; T122-E125 WeakPolarHBondContact OG1-CG 3.48Å; T122-E125 PolarHBondContact OG1-N 3.3Å; T122-E125 VanDerWaalsContact OG1-N 3.12Å; I123-E125 PolarHBondContact O-N 3.08Å; E125-F129 VanDerWaalsContact O-CB 3.31Å; E125-F129 WeakPolarHBondContact O-CB 3.19Å; E125-F129 PolarHBondContact O-N 2.87Å; E125-F129 VanDerWaalsContact O-N 3.09Å; E125-I147 HydrophobicContact CG-CG2 4.34Å; E125-S149 WeakPolarHBondContact OE1-CB 3.48Å; E125-S149 PolarHBondContact OE1-OG 2.68Å; E125-R150 IonicContact OE1-CZ 2.71Å; E125-R150 IonicContact OE1-NE 3.64Å; E125-R150 PolarHBondContact OE1-NE 3.48Å; E125-R150 IonicContact OE1-NH2 2.62Å; E125-R150 PolarHBondContact OE1-NH2 3.44Å; E125-R150 IonicContact OE2-CZ 3.22Å; E125-R150 IonicContact OE2-NE 3.3Å; E125-R150 PolarHBondContact OE2-NE 3.16Å; E125-R150 IonicContact OE2-NH2 3.68Å; E125-R150 PolarHBondContact OE2-NH2 3.09Å
126	K	89.9	Confident	77.9	Confident	75 Å²	75	90.6 Å²	90.6	33%	0.326	46%	0.463	S	S	.	.	H	α-helix	trans	-79.2	-40.4	177.6	-63.5	167.6	-166.3	142.5	0	110.8	W121 T122 I123 E124 F129 E130 Y158	W121-K126 HydrophobicContact CB-CG 4.2Å; W121-K126 HydrophobicContact CE3-CG 4.48Å; W121-K126 WeakPolarHBondContact O-CE 3.44Å; W121-K126 PolarHBondContact O-NZ 3.36Å; T122-K126 VanDerWaalsContact O-CD 3.26Å; T122-K126 WeakPolarHBondContact O-CD 3.37Å; T122-K126 WeakPolarHBondContact O-CE 3.46Å; T122-K126 VanDerWaalsContact O-CG 3.23Å; T122-K126 WeakPolarHBondContact O-CG 3.08Å; T122-K126 PolarHBondContact O-NZ 2.94Å; I123-K126 WeakPolarHBondContact O-CB 3.43Å; I123-K126 PolarHBondContact O-N 3.18Å; E124-K126 PolarHBondContact O-N 3.36Å; K126-F129 WeakPolarHBondContact O-CB 3.18Å; K126-F129 PolarHBondContact O-N 2.91Å; K126-E130 PolarHBondContact O-N 3.36Å; K126-Y158 HydrophobicContact CG-CE1 4.36Å; K126-Y158 WeakPolarHBondContact CG-OH 3.36Å
127	E	88.6	Confident	80.3	Confident	108 Å²	108	86.4 Å²	86.4	51%	0.505	44%	0.439	S	S	.	.	H	α-helix	trans	-64.4	-46.5	175.9	-159.3	-168.3	143	0	0	110.7	I123 E124 F129 E130 Q131	I123-E127 PolarHBondContact O-N 2.95Å; E124-E127 PolarHBondContact O-N 2.95Å; E127-F129 VanDerWaalsContact C-N 3.26Å; E127-F129 PolarHBondContact O-N 3.37Å; E127-E130 PolarHBondContact O-N 2.97Å; E127-E130 VanDerWaalsContact O-N 3.09Å; E127-Q131 WeakPolarHBondContact O-CB 3.33Å; E127-Q131 WeakPolarHBondContact O-CG 3.28Å; E127-Q131 PolarHBondContact O-N 3.17Å; E127-Q131 PolarHBondContact OE1-NE2 2.86Å
128	L	89.6	Confident	82.8	Confident	58 Å²	58	83.2 Å²	83.2	30%	0.304	43%	0.426	S	S	.	.	H	α-helix	trans	-59.7	-34.9	172.3	-71.4	172.7	0	0	0	112.3	E124 G132 L146 I147	E124-L128 WeakPolarHBondContact O-CB 3.46Å; E124-L128 WeakPolarHBondContact O-CG 3.36Å; E124-L128 PolarHBondContact O-N 3.4Å; L128-G132 PolarHBondContact O-N 3.26Å; L128-L146 HydrophobicContact CB-CD2 3.89Å; L128-L146 HydrophobicContact CD2-CD2 3.87Å; L128-L146 HydrophobicContact CG-CD2 4.46Å; L128-L146 VanDerWaalsContact O-CD2 3.22Å; L128-L146 WeakPolarHBondContact O-CD2 3.36Å; L128-I147 HydrophobicContact CB-CG1 4Å
129	F	92.5	Very high	85	Confident	0 Å²	0	84.8 Å²	84.8	0%	0	42%	0.415	C	S	.	.	H	α-helix	trans	-65.5	-43.9	171.6	175.2	-92.1	0	0	0	112.6	W121 E125 K126 E127 G132 L133 W140 I143 I147 V155 Y158 A159 Y162	W121-F129 HydrophobicContact CZ3-CB 4.41Å; E125-F129 VanDerWaalsContact O-CB 3.31Å; E125-F129 WeakPolarHBondContact O-CB 3.19Å; E125-F129 PolarHBondContact O-N 2.87Å; E125-F129 VanDerWaalsContact O-N 3.09Å; K126-F129 WeakPolarHBondContact O-CB 3.18Å; K126-F129 PolarHBondContact O-N 2.91Å; E127-F129 VanDerWaalsContact C-N 3.26Å; E127-F129 PolarHBondContact O-N 3.37Å; F129-G132 PolarHBondContact O-N 3.09Å; F129-L133 HydrophobicContact CE1-CD2 4.33Å; F129-L133 VanDerWaalsContact O-CB 3.27Å; F129-L133 WeakPolarHBondContact O-CB 3.24Å; F129-L133 PolarHBondContact O-N 3.22Å; F129-W140 HydrophobicContact CE2-CE3 4.35Å; F129-W140 AromaticContact CE2-CZ3 3.91Å; F129-W140 HydrophobicContact CE2-CZ3 3.91Å; F129-W140 HydrophobicContact CZ-CZ3 4.02Å; F129-I143 HydrophobicContact CD2-CG2 3.9Å; F129-I143 HydrophobicContact CE2-CG2 4.42Å; F129-I147 HydrophobicContact CB-CD1 3.92Å; F129-I147 HydrophobicContact CD2-CD1 4.23Å; F129-V155 HydrophobicContact CD2-CG1 4.07Å; F129-V155 HydrophobicContact CE2-CG1 3.95Å; F129-Y158 HydrophobicContact CB-CE1 4.45Å; F129-Y158 AromaticContact CD1-CD1 3.9Å; F129-Y158 HydrophobicContact CD1-CD1 3.9Å; F129-Y158 AromaticContact CD1-CE1 3.69Å; F129-Y158 HydrophobicContact CD1-CE1 3.69Å; F129-Y158 HydrophobicContact CD2-CD1 4.07Å; F129-Y158 HydrophobicContact CE1-CD1 4.11Å; F129-Y158 HydrophobicContact CE1-CE1 4.11Å; F129-Y158 HydrophobicContact CE2-CD1 4.28Å; F129-Y158 AromaticContact CG-CD1 3.89Å; F129-Y158 HydrophobicContact CG-CD1 3.89Å; F129-Y158 AromaticContact CG-CE1 3.99Å; F129-Y158 HydrophobicContact CG-CE1 3.99Å; F129-Y158 HydrophobicContact CZ-CD1 4.31Å; F129-A159 HydrophobicContact CE2-CB 3.94Å; F129-A159 HydrophobicContact CZ-CB 3.63Å; F129-Y162 HydrophobicContact CE1-CD1 4.09Å; F129-Y162 HydrophobicContact CE1-CD2 4.3Å; F129-Y162 AromaticContact CE1-CG 3.97Å; F129-Y162 HydrophobicContact CE1-CG 3.97Å
130	E	91.5	Very high	86.5	Confident	91 Å²	91	82.2 Å²	82.2	43%	0.425	39%	0.394	S	S	.	.	H	α-helix	trans	-69	-45	178.2	-71.1	-167.8	137.5	0	0	112.3	K126 E127 G132 L133 A134 Y162	K126-E130 PolarHBondContact O-N 3.36Å; E127-E130 PolarHBondContact O-N 2.97Å; E127-E130 VanDerWaalsContact O-N 3.09Å; E130-G132 VanDerWaalsContact C-N 3.32Å; E130-G132 PolarHBondContact O-N 3.02Å; E130-L133 PolarHBondContact O-N 2.95Å; E130-A134 PolarHBondContact O-N 3.04Å; E130-Y162 HydrophobicContact CG-CE2 4Å; E130-Y162 WeakPolarHBondContact OE1-CE2 3.43Å; E130-Y162 PolarHBondContact OE1-OH 2.76Å
131	Q	87.6	Confident	87.2	Confident	97 Å²	97	77.5 Å²	77.5	45%	0.453	38%	0.382	S	S	.	.	H	α-helix	trans	-59.1	-43.8	172.5	-67.3	-178.8	20.9	0	0	111.1	E127 A134 K135	E127-Q131 WeakPolarHBondContact O-CB 3.33Å; E127-Q131 WeakPolarHBondContact O-CG 3.28Å; E127-Q131 PolarHBondContact O-N 3.17Å; E127-Q131 PolarHBondContact OE1-NE2 2.86Å; Q131-A134 PolarHBondContact O-N 2.67Å; Q131-K135 VanDerWaalsContact O-CB 3.31Å; Q131-K135 WeakPolarHBondContact O-CB 3.35Å; Q131-K135 PolarHBondContact O-N 3.45Å
132	G	89.8	Confident	87.4	Confident	0 Å²	0	80.3 Å²	80.3	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-63.6	-38.8	175.2	0	0	0	0	0	113	L128 F129 E130 F136	L128-G132 PolarHBondContact O-N 3.26Å; F129-G132 PolarHBondContact O-N 3.09Å; E130-G132 VanDerWaalsContact C-N 3.32Å; E130-G132 PolarHBondContact O-N 3.02Å; G132-F136 WeakPolarHBondContact O-CB 3.37Å; G132-F136 PolarHBondContact O-N 3.09Å
133	L	90.4	Very high	87.5	Confident	33 Å²	33	77.3 Å²	77.3	17%	0.173	38%	0.377	C	S	.	.	H	α-helix	trans	-66.8	-40.7	175.7	-179.6	64.3	0	0	0	111.7	F129 E130 G137 W140 I143 Y162 F163	F129-L133 HydrophobicContact CE1-CD2 4.33Å; F129-L133 VanDerWaalsContact O-CB 3.27Å; F129-L133 WeakPolarHBondContact O-CB 3.24Å; F129-L133 PolarHBondContact O-N 3.22Å; E130-L133 PolarHBondContact O-N 2.95Å; L133-G137 WeakPolarHBondContact O-CA 3.47Å; L133-G137 PolarHBondContact O-N 3.28Å; L133-W140 HydrophobicContact CD1-CH2 4.1Å; L133-W140 HydrophobicContact CD1-CZ3 4.17Å; L133-I143 HydrophobicContact CB-CD1 4.44Å; L133-Y162 HydrophobicContact CD2-CE1 4.15Å; L133-F163 HydrophobicContact CD1-CZ 4.09Å; L133-F163 HydrophobicContact CD2-CE1 4.04Å; L133-F163 HydrophobicContact CD2-CZ 3.78Å
134	A	87.3	Confident	88	Confident	90 Å²	90	71.4 Å²	71.4	74%	0.744	35%	0.348	S	S	*	.	H	α-helix	trans	-66	-45.6	174.5	0	0	0	0	0	112.1	E130 Q131	E130-A134 PolarHBondContact O-N 3.04Å; Q131-A134 PolarHBondContact O-N 2.67Å
135	K	85.1	Confident	88.3	Confident	156 Å²	156	73.3 Å²	73.3	68%	0.678	35%	0.354	S	S	*	.	H	α-helix	trans	-78.7	-30	-174.9	-166.7	168.5	-173.9	170.6	0	114.2	Q131	Q131-K135 VanDerWaalsContact O-CB 3.31Å; Q131-K135 WeakPolarHBondContact O-CB 3.35Å; Q131-K135 PolarHBondContact O-N 3.45Å
136	F	85.3	Confident	88.1	Confident	49 Å²	49	75.4 Å²	75.4	22%	0.215	37%	0.365	C	S	.	.	H	α-helix	trans	-121.8	-5.7	-174.6	-57.5	-58.8	0	0	0	115.1	G132 R139 K142 I143 L146	G132-F136 WeakPolarHBondContact O-CB 3.37Å; G132-F136 PolarHBondContact O-N 3.09Å; F136-R139 HydrophobicContact CB-CB 4.33Å; F136-R139 WeakPolarHBondContact O-CB 3.47Å; F136-R139 WeakPolarHBondContact O-CG 3.41Å; F136-R139 PolarHBondContact O-NE 2.99Å; F136-R139 PolarHBondContact O-NH2 3.31Å; F136-K142 HydrophobicContact CB-CB 4.28Å; F136-K142 HydrophobicContact CD1-CB 4.29Å; F136-K142 HydrophobicContact CD1-CD 3.95Å; F136-K142 HydrophobicContact CD2-CB 3.96Å; F136-K142 HydrophobicContact CE1-CD 4.18Å; F136-K142 HydrophobicContact CE2-CB 4.35Å; F136-K142 HydrophobicContact CG-CB 3.92Å; F136-K142 HydrophobicContact CG-CD 4.42Å; F136-I143 HydrophobicContact CB-CG1 4.43Å; F136-L146 HydrophobicContact CE2-CD1 3.83Å
137	G	83.4	Confident	88	Confident	32 Å²	32	72.5 Å²	72.5	33%	0.33	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	-150.2	-173.6	0	0	0	0	0	111.5	L133 R139 I143	L133-G137 WeakPolarHBondContact O-CA 3.47Å; L133-G137 PolarHBondContact O-N 3.28Å; G137-R139 PolarHBondContact O-N 3.21Å; G137-I143 VanDerWaalsContact O-CD1 3.26Å; G137-I143 WeakPolarHBondContact O-CD1 3.44Å
138	R	85.8	Confident	87.5	Confident	150 Å²	150	70.4 Å²	70.4	57%	0.566	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	24.1	-178	-60.4	-177.6	-178.6	179.6	1.2	114.8	W140 P508	R138-W140 HydrophobicContact CB-CH2 4.09Å; R138-W140 HydrophobicContact CB-CZ2 3.6Å; R138-W140 HydrophobicContact CG-CH2 4.04Å; R138-W140 HydrophobicContact CG-CZ2 3.8Å; R138-W140 PolarHBondContact O-N 2.94Å; R138-W140 VanDerWaalsContact O-N 3.09Å; R138-W140 PolarHBondContact O-NE1 2.97Å; R138-P508 PolarHBondContact NH1-O 3.44Å
139	R	87.1	Confident	87.2	Confident	138 Å²	138	71.1 Å²	71.1	52%	0.521	37%	0.37	S	S	.	.			trans	-85.4	71.8	-179.2	-69.6	-176.3	-75.6	-165.9	-3.7	111.1	F136 G137 T141 K142 I143	F136-R139 HydrophobicContact CB-CB 4.33Å; F136-R139 WeakPolarHBondContact O-CB 3.47Å; F136-R139 WeakPolarHBondContact O-CG 3.41Å; F136-R139 PolarHBondContact O-NE 2.99Å; F136-R139 PolarHBondContact O-NH2 3.31Å; G137-R139 PolarHBondContact O-N 3.21Å; R139-T141 PolarHBondContact O-N 3.43Å; R139-K142 PolarHBondContact O-N 2.89Å; R139-I143 PolarHBondContact O-N 3.02Å
140	W	88.8	Confident	86.7	Confident	46 Å²	46	72 Å²	72	17%	0.174	37%	0.374	C	S	.	.	H	α-helix	trans	-53.8	-27.4	-173.1	-47.7	121.4	0	0	0	115.2	F129 L133 R138 I143 S144 V152 V155 K156 A159 F163	F129-W140 HydrophobicContact CE2-CE3 4.35Å; F129-W140 AromaticContact CE2-CZ3 3.91Å; F129-W140 HydrophobicContact CE2-CZ3 3.91Å; F129-W140 HydrophobicContact CZ-CZ3 4.02Å; L133-W140 HydrophobicContact CD1-CH2 4.1Å; L133-W140 HydrophobicContact CD1-CZ3 4.17Å; R138-W140 HydrophobicContact CB-CH2 4.09Å; R138-W140 HydrophobicContact CB-CZ2 3.6Å; R138-W140 HydrophobicContact CG-CH2 4.04Å; R138-W140 HydrophobicContact CG-CZ2 3.8Å; R138-W140 PolarHBondContact O-N 2.94Å; R138-W140 VanDerWaalsContact O-N 3.09Å; R138-W140 PolarHBondContact O-NE1 2.97Å; W140-I143 HydrophobicContact CE3-CD1 3.78Å; W140-I143 HydrophobicContact CZ3-CD1 3.84Å; W140-S144 VanDerWaalsContact O-CB 3.26Å; W140-S144 WeakPolarHBondContact O-CB 3.16Å; W140-S144 PolarHBondContact O-N 3.01Å; W140-V152 HydrophobicContact CB-CG1 3.94Å; W140-V155 HydrophobicContact CB-CG1 4.39Å; W140-V155 HydrophobicContact CE3-CG1 3.99Å; W140-K156 HydrophobicContact CG-CB 4.43Å; W140-A159 HydrophobicContact CE3-CB 4.24Å; W140-A159 HydrophobicContact CH2-CB 3.61Å; W140-A159 HydrophobicContact CZ2-CB 4.07Å; W140-A159 HydrophobicContact CZ3-CB 3.7Å; W140-F163 HydrophobicContact CH2-CE2 4.07Å
141	T	87.5	Confident	86.5	Confident	88 Å²	88	71.3 Å²	71.3	54%	0.54	38%	0.376	S	S	.	.	H	α-helix	trans	-67.5	-39.9	174.8	48.5	0	0	0	0	112.7	R139 K145 V152	R139-T141 PolarHBondContact O-N 3.43Å; T141-K145 WeakPolarHBondContact O-CG 3.09Å; T141-K145 PolarHBondContact O-N 3.46Å; T141-V152 HydrophobicContact CG2-CG1 4.05Å; T141-V152 HydrophobicContact CG2-CG2 4.26Å
142	K	85.8	Confident	86.5	Confident	106 Å²	106	69.4 Å²	69.4	46%	0.461	37%	0.371	S	S	.	.	H	α-helix	trans	-73.4	-36.1	174.6	-65.2	-163.4	175.8	-167.1	0	111.5	F136 R139 K145 L146	F136-K142 HydrophobicContact CB-CB 4.28Å; F136-K142 HydrophobicContact CD1-CB 4.29Å; F136-K142 HydrophobicContact CD1-CD 3.95Å; F136-K142 HydrophobicContact CD2-CB 3.96Å; F136-K142 HydrophobicContact CE1-CD 4.18Å; F136-K142 HydrophobicContact CE2-CB 4.35Å; F136-K142 HydrophobicContact CG-CB 3.92Å; F136-K142 HydrophobicContact CG-CD 4.42Å; R139-K142 PolarHBondContact O-N 2.89Å; K142-K145 PolarHBondContact O-N 3.3Å; K142-L146 PolarHBondContact O-N 3.31Å
143	I	88.9	Confident	86.1	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-67.1	-43.4	176.4	-63.2	172.6	0	0	0	111.5	F129 L133 F136 G137 R139 W140 K145 L146 I147 V155	F129-I143 HydrophobicContact CD2-CG2 3.9Å; F129-I143 HydrophobicContact CE2-CG2 4.42Å; L133-I143 HydrophobicContact CB-CD1 4.44Å; F136-I143 HydrophobicContact CB-CG1 4.43Å; G137-I143 VanDerWaalsContact O-CD1 3.26Å; G137-I143 WeakPolarHBondContact O-CD1 3.44Å; R139-I143 PolarHBondContact O-N 3.02Å; W140-I143 HydrophobicContact CE3-CD1 3.78Å; W140-I143 HydrophobicContact CZ3-CD1 3.84Å; I143-K145 VanDerWaalsContact C-N 3.35Å; I143-K145 PolarHBondContact O-N 2.95Å; I143-L146 PolarHBondContact O-N 2.86Å; I143-L146 VanDerWaalsContact O-N 3.11Å; I143-I147 HydrophobicContact CG2-CD1 3.67Å; I143-I147 HydrophobicContact CG2-CG1 4.39Å; I143-I147 WeakPolarHBondContact O-CG1 3.38Å; I143-I147 PolarHBondContact O-N 2.83Å; I143-V155 HydrophobicContact CB-CG1 4.18Å; I143-V155 HydrophobicContact CG2-CG1 3.73Å
144	S	90.9	Very high	85.8	Confident	15 Å²	15	78.6 Å²	78.6	11%	0.105	42%	0.417	C	S	.	.	H	α-helix	trans	-61	-40.8	174.4	175.5	0	0	0	0	112.4	W140 L146 I147 G148 R150 T151 V152	W140-S144 VanDerWaalsContact O-CB 3.26Å; W140-S144 WeakPolarHBondContact O-CB 3.16Å; W140-S144 PolarHBondContact O-N 3.01Å; S144-L146 VanDerWaalsContact C-N 3.31Å; S144-L146 PolarHBondContact O-N 3.45Å; S144-I147 PolarHBondContact O-N 3.12Å; S144-G148 PolarHBondContact O-N 3.1Å; S144-R150 PolarHBondContact OG-O 3.4Å; S144-T151 VanDerWaalsContact OG-C 3.32Å; S144-V152 PolarHBondContact OG-N 3.42Å; S144-V152 VanDerWaalsContact OG-N 3.14Å
145	K	88.3	Confident	85.9	Confident	189 Å²	189	74.3 Å²	74.3	82%	0.822	38%	0.381	S	S	*	.	H	α-helix	trans	-64.7	-30.5	172.4	-75.1	-170.6	175.8	-166.2	0	113.6	T141 K142 I143	T141-K145 WeakPolarHBondContact O-CG 3.09Å; T141-K145 PolarHBondContact O-N 3.46Å; K142-K145 PolarHBondContact O-N 3.3Å; I143-K145 VanDerWaalsContact C-N 3.35Å; I143-K145 PolarHBondContact O-N 2.95Å
146	L	85.9	Confident	86	Confident	63 Å²	63	71.8 Å²	71.8	33%	0.33	37%	0.37	S	S	.	.	H	α-helix	trans	-79.5	-32.3	177.6	179.9	145.9	0	0	0	112.9	L128 F136 K142 I143 S144	L128-L146 HydrophobicContact CB-CD2 3.89Å; L128-L146 HydrophobicContact CD2-CD2 3.87Å; L128-L146 HydrophobicContact CG-CD2 4.46Å; L128-L146 VanDerWaalsContact O-CD2 3.22Å; L128-L146 WeakPolarHBondContact O-CD2 3.36Å; F136-L146 HydrophobicContact CE2-CD1 3.83Å; K142-L146 PolarHBondContact O-N 3.31Å; I143-L146 PolarHBondContact O-N 2.86Å; I143-L146 VanDerWaalsContact O-N 3.11Å; S144-L146 VanDerWaalsContact C-N 3.31Å; S144-L146 PolarHBondContact O-N 3.45Å
147	I	88.3	Confident	86	Confident	13 Å²	13	72.4 Å²	72.4	7%	0.067	38%	0.381	C	S	.	.	H	α-helix	trans	-77.8	-36.3	175.3	-65.7	164.1	0	0	0	111.1	W121 E125 L128 F129 I143 S144 S149 R150 V155	W121-I147 HydrophobicContact CH2-CD1 4.42Å; W121-I147 HydrophobicContact CZ3-CD1 4.21Å; E125-I147 HydrophobicContact CG-CG2 4.34Å; L128-I147 HydrophobicContact CB-CG1 4Å; F129-I147 HydrophobicContact CB-CD1 3.92Å; F129-I147 HydrophobicContact CD2-CD1 4.23Å; I143-I147 HydrophobicContact CG2-CD1 3.67Å; I143-I147 HydrophobicContact CG2-CG1 4.39Å; I143-I147 WeakPolarHBondContact O-CG1 3.38Å; I143-I147 PolarHBondContact O-N 2.83Å; S144-I147 PolarHBondContact O-N 3.12Å; I147-S149 WeakPolarHBondContact CG2-OG 3.46Å; I147-S149 PolarHBondContact O-N 3.41Å; I147-R150 HydrophobicContact CG2-CB 3.97Å; I147-R150 HydrophobicContact CG2-CG 3.9Å; I147-V155 HydrophobicContact CD1-CG2 3.89Å
148	G	77.9	Confident	86.2	Confident	64 Å²	64	72.7 Å²	72.7	66%	0.66	37%	0.372	S	S	*	.	S	Bend	trans	74.2	-49.6	177.7	0	0	0	0	0	114.6	S144 R150	S144-G148 PolarHBondContact O-N 3.1Å; G148-R150 VanDerWaalsContact C-N 3.34Å; G148-R150 PolarHBondContact O-N 2.94Å
149	S	82.4	Confident	86.3	Confident	74 Å²	74	65.6 Å²	65.6	52%	0.517	35%	0.346	S	S	.	.	S	Bend	trans	-74.6	-15	-178.5	61.8	0	0	0	0	114.9	E125 I147	E125-S149 WeakPolarHBondContact OE1-CB 3.48Å; E125-S149 PolarHBondContact OE1-OG 2.68Å; I147-S149 WeakPolarHBondContact CG2-OG 3.46Å; I147-S149 PolarHBondContact O-N 3.41Å
150	R	82.9	Confident	86.1	Confident	17 Å²	17	66.6 Å²	66.6	6%	0.064	35%	0.35	C	S	.	.	S	Bend	trans	-125.6	130.8	-172.4	-58.6	-61.4	178.3	145.9	7.2	112.9	V119 K120 W121 E125 S144 I147 G148 Q154 V155	V119-R150 PolarHBondContact O-NH1 2.95Å; V119-R150 PolarHBondContact O-NH2 3.1Å; V119-R150 VanDerWaalsContact O-NH2 3.13Å; K120-R150 PolarHBondContact O-NH2 2.79Å; W121-R150 HydrophobicContact CH2-CB 4.11Å; W121-R150 HydrophobicContact CH2-CG 3.83Å; W121-R150 HydrophobicContact CZ2-CB 4.41Å; W121-R150 HydrophobicContact CZ2-CG 4.02Å; W121-R150 HydrophobicContact CZ3-CG 4.2Å; E125-R150 IonicContact OE1-CZ 2.71Å; E125-R150 IonicContact OE1-NE 3.64Å; E125-R150 PolarHBondContact OE1-NE 3.48Å; E125-R150 IonicContact OE1-NH2 2.62Å; E125-R150 PolarHBondContact OE1-NH2 3.44Å; E125-R150 IonicContact OE2-CZ 3.22Å; E125-R150 IonicContact OE2-NE 3.3Å; E125-R150 PolarHBondContact OE2-NE 3.16Å; E125-R150 IonicContact OE2-NH2 3.68Å; E125-R150 PolarHBondContact OE2-NH2 3.09Å; S144-R150 PolarHBondContact OG-O 3.4Å; I147-R150 HydrophobicContact CG2-CB 3.97Å; I147-R150 HydrophobicContact CG2-CG 3.9Å; G148-R150 VanDerWaalsContact C-N 3.34Å; G148-R150 PolarHBondContact O-N 2.94Å; R150-Q154 HydrophobicContact CB-CB 4.41Å; R150-V155 HydrophobicContact CB-CG2 3.97Å
151	T	88.1	Confident	85.7	Confident	78 Å²	78	70 Å²	70	48%	0.479	37%	0.368	S	S	.	.			trans	-67.9	157.7	176.5	63.9	0	0	0	0	112.6	S144 L153 Q154 V155	S144-T151 VanDerWaalsContact OG-C 3.32Å; T151-L153 PolarHBondContact O-N 3.42Å; T151-L153 VanDerWaalsContact O-N 3.13Å; T151-Q154 PolarHBondContact O-N 2.8Å; T151-Q154 VanDerWaalsContact OG1-CD 3.28Å; T151-Q154 WeakPolarHBondContact OG1-CG 3.28Å; T151-Q154 PolarHBondContact OG1-N 2.74Å; T151-Q154 PolarHBondContact OG1-OE1 2.63Å; T151-V155 WeakPolarHBondContact O-CG2 3.43Å; T151-V155 PolarHBondContact O-N 3.39Å
152	V	86.3	Confident	85.6	Confident	57 Å²	57	67.2 Å²	67.2	35%	0.345	35%	0.347	S	S	.	.	H	α-helix	trans	-53.7	-35.8	178.8	-170.9	0	0	0	0	112.4	W140 T141 S144 K156	W140-V152 HydrophobicContact CB-CG1 3.94Å; T141-V152 HydrophobicContact CG2-CG1 4.05Å; T141-V152 HydrophobicContact CG2-CG2 4.26Å; S144-V152 PolarHBondContact OG-N 3.42Å; S144-V152 VanDerWaalsContact OG-N 3.14Å; V152-K156 VanDerWaalsContact O-CB 3.26Å; V152-K156 WeakPolarHBondContact O-CB 3.42Å; V152-K156 PolarHBondContact O-N 2.99Å
153	L	80.9	Confident	85.6	Confident	141 Å²	141	65.7 Å²	65.7	74%	0.738	34%	0.341	S	S	*	.	H	α-helix	trans	-69.9	-43.5	176.9	-82.6	159.9	0	0	0	112.5	T151 K156 S157	T151-L153 PolarHBondContact O-N 3.42Å; T151-L153 VanDerWaalsContact O-N 3.13Å; L153-K156 PolarHBondContact O-N 3.02Å; L153-S157 PolarHBondContact O-N 2.99Å
154	Q	86	Confident	85	Confident	84 Å²	84	73.6 Å²	73.6	39%	0.393	38%	0.375	S	S	.	.	H	α-helix	trans	-64	-44.4	175.2	-71.6	160.8	-38.7	0	0	111.1	R150 T151 K156 S157 Y158	R150-Q154 HydrophobicContact CB-CB 4.41Å; T151-Q154 PolarHBondContact O-N 2.8Å; T151-Q154 VanDerWaalsContact OG1-CD 3.28Å; T151-Q154 WeakPolarHBondContact OG1-CG 3.28Å; T151-Q154 PolarHBondContact OG1-N 2.74Å; T151-Q154 PolarHBondContact OG1-OE1 2.63Å; Q154-K156 PolarHBondContact O-N 3.46Å; Q154-S157 WeakPolarHBondContact O-CB 3.34Å; Q154-S157 PolarHBondContact O-N 3.06Å; Q154-S157 VanDerWaalsContact O-N 3.11Å; Q154-Y158 PolarHBondContact O-N 2.94Å
155	V	88.3	Confident	84.1	Confident	0 Å²	0	77.3 Å²	77.3	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-58.8	-46.2	174.4	172	0	0	0	0	111.4	W121 F129 W140 I143 I147 R150 T151 S157 Y158 A159	W121-V155 HydrophobicContact CH2-CG2 4.2Å; F129-V155 HydrophobicContact CD2-CG1 4.07Å; F129-V155 HydrophobicContact CE2-CG1 3.95Å; W140-V155 HydrophobicContact CB-CG1 4.39Å; W140-V155 HydrophobicContact CE3-CG1 3.99Å; I143-V155 HydrophobicContact CB-CG1 4.18Å; I143-V155 HydrophobicContact CG2-CG1 3.73Å; I147-V155 HydrophobicContact CD1-CG2 3.89Å; R150-V155 HydrophobicContact CB-CG2 3.97Å; T151-V155 WeakPolarHBondContact O-CG2 3.43Å; T151-V155 PolarHBondContact O-N 3.39Å; V155-S157 VanDerWaalsContact C-N 3.27Å; V155-S157 PolarHBondContact O-N 3.46Å; V155-Y158 PolarHBondContact O-N 2.9Å; V155-A159 WeakPolarHBondContact O-CB 3.15Å; V155-A159 PolarHBondContact O-N 3.33Å
156	K	87.3	Confident	83.1	Confident	103 Å²	103	74.3 Å²	74.3	45%	0.448	38%	0.381	S	S	.	.	H	α-helix	trans	-66.8	-25.1	175.7	-174.6	178.9	177.2	-175.5	0	113	W140 V152 L153 Q154 R160	W140-K156 HydrophobicContact CG-CB 4.43Å; V152-K156 VanDerWaalsContact O-CB 3.26Å; V152-K156 WeakPolarHBondContact O-CB 3.42Å; V152-K156 PolarHBondContact O-N 2.99Å; L153-K156 PolarHBondContact O-N 3.02Å; Q154-K156 PolarHBondContact O-N 3.46Å; K156-R160 WeakPolarHBondContact O-CG 3.14Å; K156-R160 PolarHBondContact O-NE 3.34Å; K156-R160 VanDerWaalsContact O-NE 3.08Å
157	S	85.3	Confident	81.6	Confident	63 Å²	63	77.2 Å²	77.2	44%	0.441	40%	0.401	S	S	.	.	H	α-helix	trans	-75.1	-51.1	172.5	-138.1	0	0	0	0	111.4	L153 Q154 V155 A159 R160 Q161	L153-S157 PolarHBondContact O-N 2.99Å; Q154-S157 WeakPolarHBondContact O-CB 3.34Å; Q154-S157 PolarHBondContact O-N 3.06Å; Q154-S157 VanDerWaalsContact O-N 3.11Å; V155-S157 VanDerWaalsContact C-N 3.27Å; V155-S157 PolarHBondContact O-N 3.46Å; S157-A159 VanDerWaalsContact C-N 3.32Å; S157-A159 PolarHBondContact O-N 3.38Å; S157-R160 PolarHBondContact O-N 3.02Å; S157-R160 VanDerWaalsContact O-N 3.09Å; S157-Q161 PolarHBondContact O-N 2.75Å
158	Y	86.8	Confident	79.4	Confident	37 Å²	37	84.8 Å²	84.8	15%	0.145	43%	0.434	C	S	.	.	H	α-helix	trans	-59.1	-41.5	177.7	-176.5	-107.3	0	0	0	112.1	W121 K126 F129 Q154 V155 R160 Q161 Y162	W121-Y158 HydrophobicContact CD2-CD1 4.23Å; W121-Y158 AromaticContact CD2-CD2 3.83Å; W121-Y158 HydrophobicContact CD2-CD2 3.83Å; W121-Y158 HydrophobicContact CD2-CE2 4.27Å; W121-Y158 AromaticContact CD2-CG 3.83Å; W121-Y158 HydrophobicContact CD2-CG 3.83Å; W121-Y158 AromaticContact CE2-CD2 3.83Å; W121-Y158 AromaticContact CE2-CG 3.64Å; W121-Y158 AromaticContact CE3-CD1 3.98Å; W121-Y158 HydrophobicContact CE3-CD1 3.98Å; W121-Y158 HydrophobicContact CE3-CD2 4.37Å; W121-Y158 HydrophobicContact CE3-CE1 4.25Å; W121-Y158 HydrophobicContact CE3-CG 4.06Å; W121-Y158 AromaticContact CG-CD2 4Å; W121-Y158 HydrophobicContact CG-CD2 4Å; W121-Y158 HydrophobicContact CG-CE2 4.22Å; W121-Y158 HydrophobicContact CG-CG 4.48Å; W121-Y158 HydrophobicContact CH2-CD1 4.02Å; W121-Y158 AromaticContact CH2-CG 3.99Å; W121-Y158 HydrophobicContact CH2-CG 3.99Å; W121-Y158 HydrophobicContact CZ2-CD1 4.27Å; W121-Y158 HydrophobicContact CZ2-CD2 4.4Å; W121-Y158 AromaticContact CZ2-CG 3.75Å; W121-Y158 HydrophobicContact CZ2-CG 3.75Å; W121-Y158 AromaticContact CZ3-CD1 3.87Å; W121-Y158 HydrophobicContact CZ3-CD1 3.87Å; W121-Y158 HydrophobicContact CZ3-CE1 4.43Å; W121-Y158 HydrophobicContact CZ3-CG 4.14Å; W121-Y158 AromaticContact NE1-CD2 3.89Å; K126-Y158 HydrophobicContact CG-CE1 4.36Å; K126-Y158 WeakPolarHBondContact CG-OH 3.36Å; F129-Y158 HydrophobicContact CB-CE1 4.45Å; F129-Y158 AromaticContact CD1-CD1 3.9Å; F129-Y158 HydrophobicContact CD1-CD1 3.9Å; F129-Y158 AromaticContact CD1-CE1 3.69Å; F129-Y158 HydrophobicContact CD1-CE1 3.69Å; F129-Y158 HydrophobicContact CD2-CD1 4.07Å; F129-Y158 HydrophobicContact CE1-CD1 4.11Å; F129-Y158 HydrophobicContact CE1-CE1 4.11Å; F129-Y158 HydrophobicContact CE2-CD1 4.28Å; F129-Y158 AromaticContact CG-CD1 3.89Å; F129-Y158 HydrophobicContact CG-CD1 3.89Å; F129-Y158 AromaticContact CG-CE1 3.99Å; F129-Y158 HydrophobicContact CG-CE1 3.99Å; F129-Y158 HydrophobicContact CZ-CD1 4.31Å; Q154-Y158 PolarHBondContact O-N 2.94Å; V155-Y158 PolarHBondContact O-N 2.9Å; Y158-R160 VanDerWaalsContact C-N 3.28Å; Y158-R160 PolarHBondContact O-N 2.64Å; Y158-Q161 PolarHBondContact O-N 2.94Å; Y158-Q161 VanDerWaalsContact O-N 3.1Å; Y158-Y162 HydrophobicContact CE1-CD2 4.35Å; Y158-Y162 WeakPolarHBondContact O-CB 3.35Å; Y158-Y162 PolarHBondContact O-N 3.47Å
159	A	88.1	Confident	77.4	Confident	2 Å²	2	86.7 Å²	86.7	2%	0.017	44%	0.435	C	S	.	.	H	α-helix	trans	-53.4	-41.6	174.3	0	0	0	0	0	113.4	F129 W140 V155 S157 Y162 F163	F129-A159 HydrophobicContact CE2-CB 3.94Å; F129-A159 HydrophobicContact CZ-CB 3.63Å; W140-A159 HydrophobicContact CE3-CB 4.24Å; W140-A159 HydrophobicContact CH2-CB 3.61Å; W140-A159 HydrophobicContact CZ2-CB 4.07Å; W140-A159 HydrophobicContact CZ3-CB 3.7Å; V155-A159 WeakPolarHBondContact O-CB 3.15Å; V155-A159 PolarHBondContact O-N 3.33Å; S157-A159 VanDerWaalsContact C-N 3.32Å; S157-A159 PolarHBondContact O-N 3.38Å; A159-Y162 PolarHBondContact O-N 2.94Å; A159-F163 HydrophobicContact CB-CE2 4.41Å; A159-F163 WeakPolarHBondContact O-CD2 3.35Å; A159-F163 PolarHBondContact O-N 3.25Å
160	R	82.7	Confident	75.2	Confident	158 Å²	158	86.5 Å²	86.5	60%	0.596	45%	0.446	S	S	*	.	H	α-helix	trans	-67.4	-39.1	179	-72.9	178.7	-73.4	172.8	5.9	111.9	K156 S157 Y158 K164	K156-R160 WeakPolarHBondContact O-CG 3.14Å; K156-R160 PolarHBondContact O-NE 3.34Å; K156-R160 VanDerWaalsContact O-NE 3.08Å; S157-R160 PolarHBondContact O-N 3.02Å; S157-R160 VanDerWaalsContact O-N 3.09Å; Y158-R160 VanDerWaalsContact C-N 3.28Å; Y158-R160 PolarHBondContact O-N 2.64Å; R160-K164 WeakPolarHBondContact O-CB 3.46Å; R160-K164 PolarHBondContact O-N 2.73Å
161	Q	81.3	Confident	72.9	Confident	119 Å²	119	92.3 Å²	92.3	56%	0.556	48%	0.477	S	S	*	.	H	α-helix	trans	-70.9	-41	175.8	-166.3	173.7	16.5	0	0	111.8	S157 Y158 K164 N165	S157-Q161 PolarHBondContact O-N 2.75Å; Y158-Q161 PolarHBondContact O-N 2.94Å; Y158-Q161 VanDerWaalsContact O-N 3.1Å; Q161-K164 PolarHBondContact O-N 3.3Å; Q161-N165 PolarHBondContact O-N 3.02Å; Q161-N165 PolarHBondContact O-OD1 3.38Å
162	Y	85.9	Confident	70.5	Confident	28 Å²	28	97.2 Å²	97.2	11%	0.11	50%	0.495	C	S	.	.	H	α-helix	trans	-56.8	-52.2	176.4	177.2	-91.3	0	0	0	111.7	F129 E130 L133 Y158 A159 K164 N165 K166	F129-Y162 HydrophobicContact CE1-CD1 4.09Å; F129-Y162 HydrophobicContact CE1-CD2 4.3Å; F129-Y162 AromaticContact CE1-CG 3.97Å; F129-Y162 HydrophobicContact CE1-CG 3.97Å; E130-Y162 HydrophobicContact CG-CE2 4Å; E130-Y162 WeakPolarHBondContact OE1-CE2 3.43Å; E130-Y162 PolarHBondContact OE1-OH 2.76Å; L133-Y162 HydrophobicContact CD2-CE1 4.15Å; Y158-Y162 HydrophobicContact CE1-CD2 4.35Å; Y158-Y162 WeakPolarHBondContact O-CB 3.35Å; Y158-Y162 PolarHBondContact O-N 3.47Å; A159-Y162 PolarHBondContact O-N 2.94Å; Y162-K164 PolarHBondContact O-N 2.85Å; Y162-N165 PolarHBondContact O-N 2.88Å; Y162-K166 HydrophobicContact CE1-CD 3.79Å; Y162-K166 WeakPolarHBondContact O-CB 3.48Å; Y162-K166 PolarHBondContact O-N 3.48Å; Y162-K166 PolarHBondContact OH-NZ 3.45Å
163	F	84.8	Confident	68	Low	74 Å²	74	104 Å²	104	33%	0.325	52%	0.519	S	S	.	.	H	α-helix	trans	-65.9	-39	177.8	-66.2	-57.3	0	0	0	112.7	L133 W140 A159 N165 K166 V167	L133-F163 HydrophobicContact CD1-CZ 4.09Å; L133-F163 HydrophobicContact CD2-CE1 4.04Å; L133-F163 HydrophobicContact CD2-CZ 3.78Å; W140-F163 HydrophobicContact CH2-CE2 4.07Å; A159-F163 HydrophobicContact CB-CE2 4.41Å; A159-F163 WeakPolarHBondContact O-CD2 3.35Å; A159-F163 PolarHBondContact O-N 3.25Å; F163-N165 VanDerWaalsContact C-N 3.29Å; F163-N165 PolarHBondContact O-N 2.87Å; F163-K166 PolarHBondContact O-N 3Å; F163-V167 WeakPolarHBondContact O-CG2 3.42Å; F163-V167 PolarHBondContact O-N 2.68Å; F163-V167 VanDerWaalsContact O-N 3.09Å
164	K	76.9	Confident	65.4	Low	166 Å²	166	106.6 Å²	106.6	72%	0.722	53%	0.528	S	S	*	.	H	α-helix	trans	-60.1	-39.3	176.3	-170.5	175.7	-178.2	-179.8	0	111.9	R160 Q161 Y162	R160-K164 WeakPolarHBondContact O-CB 3.46Å; R160-K164 PolarHBondContact O-N 2.73Å; Q161-K164 PolarHBondContact O-N 3.3Å; Y162-K164 PolarHBondContact O-N 2.85Å
165	N	71.4	Confident	62.6	Low	94 Å²	94	109 Å²	109	50%	0.503	55%	0.548	S	S	.	.	H	α-helix	trans	-75.7	-38.5	176.6	-70.2	6.5	0	0	0	112.2	Q161 Y162 F163 V167 K168 C169	Q161-N165 PolarHBondContact O-N 3.02Å; Q161-N165 PolarHBondContact O-OD1 3.38Å; Y162-N165 PolarHBondContact O-N 2.88Å; F163-N165 VanDerWaalsContact C-N 3.29Å; F163-N165 PolarHBondContact O-N 2.87Å; N165-V167 VanDerWaalsContact C-N 3.28Å; N165-V167 PolarHBondContact O-N 3.35Å; N165-K168 WeakPolarHBondContact O-CA 3.16Å; N165-K168 WeakPolarHBondContact O-CB 3.41Å; N165-K168 PolarHBondContact O-N 2.98Å; N165-C169 PolarHBondContact O-N 3.47Å
166	K	68.3	Low	59.9	Low	125 Å²	125	114.9 Å²	114.9	54%	0.543	59%	0.587	S	S	.	*	H	α-helix	trans	-65.9	-29.6	-179.7	-160.8	164.2	-167.6	167.6	0	112.9	Y162 F163	Y162-K166 HydrophobicContact CE1-CD 3.79Å; Y162-K166 WeakPolarHBondContact O-CB 3.48Å; Y162-K166 PolarHBondContact O-N 3.48Å; Y162-K166 PolarHBondContact OH-NZ 3.45Å; F163-K166 PolarHBondContact O-N 3Å
167	V	52.8	Low	57	Low	125 Å²	125	117.1 Å²	117.1	76%	0.758	60%	0.603	S	S	*	*	H	α-helix	trans	-69.5	-32.5	169.1	172.7	0	0	0	0	111.9	F163 N165	F163-V167 WeakPolarHBondContact O-CG2 3.42Å; F163-V167 PolarHBondContact O-N 2.68Å; F163-V167 VanDerWaalsContact O-N 3.09Å; N165-V167 VanDerWaalsContact C-N 3.28Å; N165-V167 PolarHBondContact O-N 3.35Å
168	K	43.5	Very low	54.3	Low	172 Å²	172	121.5 Å²	121.5	75%	0.748	62%	0.617	S	S	*	*	H	α-helix	trans	-76.9	-30.5	180	-163.2	176.3	-179.4	-174.7	0	113.4	N165	N165-K168 WeakPolarHBondContact O-CA 3.16Å; N165-K168 WeakPolarHBondContact O-CB 3.41Å; N165-K168 PolarHBondContact O-N 2.98Å
169	C	36.2	Very low	51.3	Low	103 Å²	103	128.7 Å²	128.7	70%	0.696	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	13.9	176.8	-61.4	0	0	0	0	114.3	N165 L171	N165-C169 PolarHBondContact O-N 3.47Å; C169-L171 VanDerWaalsContact C-N 3.3Å
170	G	35.5	Very low	48.3	Very low	71 Å²	71	136.8 Å²	136.8	73%	0.732	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	-6.2	169.1	0	0	0	0	0	113.7
171	L	35.6	Very low	45.5	Very low	139 Å²	139	133 Å²	133	73%	0.728	70%	0.702	S	S	*	*	S	Bend	trans	-112	149.8	170.4	-158.2	67.7	0	0	0	107.5	C169	C169-L171 VanDerWaalsContact C-N 3.3Å
172	E	37	Very low	42.8	Very low	181 Å²	181	135.6 Å²	135.6	85%	0.846	71%	0.714	S	S	*	*			trans	65.2	70.7	-174.8	-59.5	-179.2	-162.6	0	0	116.5
173	K	32.8	Very low	39.8	Very low	199 Å²	199	140 Å²	140	87%	0.865	74%	0.739	S	S	*	*			trans	-148.1	79.8	151	-80.7	-152.9	176.8	-172.8	0	113.5
174	E	27	Very low	37	Very low	196 Å²	196	142.9 Å²	142.9	92%	0.916	76%	0.757	S	S	*	*			trans	-130.7	132.6	145.8	-71.3	-162.9	154.9	0	0	108.3
175	T	28	Very low	34.6	Very low	134 Å²	134	142.7 Å²	142.7	82%	0.822	76%	0.759	S	S	*	*			trans	-106	137.5	-172.3	46.5	0	0	0	0	111.7
176	P	30.3	Very low	32.4	Very low	124 Å²	124	143.4 Å²	143.4	81%	0.805	77%	0.766	S	S	*	*			trans	-75.5	152.1	-178.3	32.5	-36.2	0	0	0	112.1
177	N	26.2	Very low	30.3	Very low	149 Å²	149	145.7 Å²	145.7	80%	0.797	78%	0.776	S	S	*	*			trans	-146.6	148.1	160.9	-144.1	-17.2	0	0	0	113.4
178	Q	28.7	Very low	29	Very low	155 Å²	155	145.6 Å²	145.6	72%	0.724	77%	0.771	S	S	*	*			trans	-57	145.2	-162.7	-52.5	156.5	12.1	0	0	116.3
179	K	25.3	Very low	28.2	Very low	189 Å²	189	145.1 Å²	145.1	82%	0.822	77%	0.772	S	S	*	*				-176.1	164	99.4	-97.9	167.5	-174.6	176.2	0	114.4
180	N	23.8	Very low	27.8	Very low	172 Å²	172	145.8 Å²	145.8	92%	0.92	77%	0.769	S	S	*	*			trans	-78.3	154.3	-172.6	-52.7	-18.9	0	0	0	113.1
181	G	24.7	Very low	27.4	Very low	78 Å²	78	150.8 Å²	150.8	80%	0.804	77%	0.77	S	S	*	*			trans	-175.7	61.6	177.4	0	0	0	0	0	117.9
182	H	24.6	Very low	26.9	Very low	174 Å²	174	148 Å²	148	81%	0.806	78%	0.775	S	S	*	*			trans	14.7	141.6	160.1	-107.2	-84.8	0	0	0	124
183	N	22.7	Very low	26.4	Very low	119 Å²	119	145.4 Å²	145.4	64%	0.636	77%	0.772	S	S	*	*			trans	82	127.2	141.5	-87.9	0.8	0	0	0	123
184	L	25.3	Very low	26	Very low	136 Å²	136	145.2 Å²	145.2	71%	0.712	77%	0.771	S	S	*	*			trans	66.5	143.6	135.1	-64.3	170.1	0	0	0	119
185	Q	26	Very low	25.9	Very low	162 Å²	162	140.5 Å²	140.5	76%	0.757	77%	0.765	S	S	*	*			cis	-169.7	176.8	-18.7	-152.1	-174.4	13.2	0	0	109
186	V	25.7	Very low	25.5	Very low	108 Å²	108	145.9 Å²	145.9	66%	0.655	77%	0.771	S	S	*	*			trans	74.4	98.5	154.6	178.2	0	0	0	0	118.9
187	K	24.7	Very low	25.1	Very low	174 Å²	174	145.6 Å²	145.6	76%	0.757	77%	0.767	S	S	*	*				61.2	135.7	122.3	-69.9	-167	174.2	-172.6	0	123.8
188	N	26	Very low	25.5	Very low	122 Å²	122	143.5 Å²	143.5	65%	0.652	76%	0.761	S	S	*	*			trans	67	156.2	132.9	-69.2	56	0	0	0	120
189	E	26.4	Very low	25.2	Very low	163 Å²	163	141.2 Å²	141.2	76%	0.762	76%	0.763	S	S	*	*			cis	-168	152.4	-32.9	-155.2	163.4	-152.6	0	0	109.5
190	D	27.2	Very low	25.3	Very low	117 Å²	117	137.8 Å²	137.8	63%	0.626	76%	0.761	S	S	*	*			trans	73.2	156.6	152.8	-135.2	1.2	0	0	0	123.4
191	K	27.8	Very low	25.3	Very low	176 Å²	176	137.4 Å²	137.4	77%	0.765	76%	0.758	S	S	*	*			trans	-3.6	148.1	172.5	-66.9	140.4	-162.7	139.7	0	122.9
192	G	25.6	Very low	25.4	Very low	80 Å²	80	144.1 Å²	144.1	83%	0.825	76%	0.759	S	S	*	*			trans	-170	44.5	173.2	0	0	0	0	0	120.7
193	T	25.2	Very low	25.4	Very low	127 Å²	127	139.5 Å²	139.5	78%	0.779	76%	0.759	S	S	*	*			trans	-13.6	122.5	168.7	-53.3	0	0	0	0	122.3
194	K	24.8	Very low	25.6	Very low	194 Å²	194	144.8 Å²	144.8	84%	0.843	77%	0.77	S	S	*	*			trans	43.2	108.7	143.2	-59.2	178	179.2	178.9	0	123.2
195	A	24.9	Very low	25.6	Very low	97 Å²	97	142.8 Å²	142.8	80%	0.802	77%	0.773	S	S	*	*				47	123.6	119	0	0	0	0	0	124.6
196	W	19.9	Very low	26.2	Very low	248 Å²	248	142.3 Å²	142.3	94%	0.939	78%	0.775	S	S	*	*				-152.1	166.9	127	-152.2	-80	0	0	0	110.3
197	T	22	Very low	27.1	Very low	117 Å²	117	142 Å²	142	72%	0.718	78%	0.775	S	S	*	*			trans	-100.2	-162.4	178.7	58.8	0	0	0	0	111.2
198	P	34.8	Very low	27.3	Very low	106 Å²	106	140.7 Å²	140.7	69%	0.688	78%	0.777	S	S	*	*			cis	-137.9	-165	-9.3	38.9	-17	0	0	0	116
199	S	22.7	Very low	27.6	Very low	107 Å²	107	141.7 Å²	141.7	75%	0.748	78%	0.781	S	S	*	*			trans	77	87.9	149.3	54.2	0	0	0	0	124
200	C	25.8	Very low	27.7	Very low	116 Å²	116	140.8 Å²	140.8	78%	0.784	78%	0.782	S	S	*	*				38.1	120.7	117.6	-163.2	0	0	0	0	124.1
201	L	25.3	Very low	27.7	Very low	164 Å²	164	139.8 Å²	139.8	86%	0.859	79%	0.79	S	S	*	*			trans	-143.9	118.4	134.5	-72.8	-179.8	0	0	0	107.2
202	R	25.9	Very low	27.8	Very low	220 Å²	220	138.4 Å²	138.4	83%	0.83	80%	0.796	S	S	*	*				63.8	110.2	78.3	-168.5	-176.4	-71.1	-94.2	6.1	115.5
203	G	24	Very low	28.1	Very low	77 Å²	77	141.8 Å²	141.8	79%	0.794	79%	0.788	S	S	*	*			trans	-140.9	154.8	159.8	0	0	0	0	0	110.4
204	R	27.9	Very low	28.5	Very low	230 Å²	230	143.3 Å²	143.3	87%	0.868	79%	0.789	S	S	*	*			trans	-115	148.5	-177.2	-80.4	178.8	168.2	-98.1	11.4	111.5
205	A	24.1	Very low	28.6	Very low	94 Å²	94	140.8 Å²	140.8	78%	0.777	78%	0.781	S	S	*	*			trans	-171	132.3	130.6	0	0	0	0	0	112.9
206	D	39.2	Very low	29.6	Very low	152 Å²	152	145.7 Å²	145.7	81%	0.813	78%	0.784	S	S	*	*			trans	-133.2	170.5	161.3	-60.9	-73	0	0	0	105.4
207	P	45.6	Very low	30	Very low	101 Å²	101	141.8 Å²	141.8	66%	0.656	78%	0.78	S	S	*	*			cis	-151	-177.7	19.4	46	-26.1	0	0	0	118.8
208	N	28.8	Very low	30.4	Very low	146 Å²	146	140.6 Å²	140.6	78%	0.781	78%	0.777	S	S	*	*			trans	66	151.6	153.7	-57.9	-28.4	0	0	0	119
209	L	31.7	Very low	30.2	Very low	144 Å²	144	142.5 Å²	142.5	75%	0.754	78%	0.781	S	S	*	*			cis	-156.9	150.7	42.4	-78.5	163.9	0	0	0	115.6
210	N	27.8	Very low	31	Very low	143 Å²	143	144.3 Å²	144.3	77%	0.765	78%	0.783	S	S	*	*			trans	52.5	126.1	139.2	-61.8	-5.1	0	0	0	126.4
211	A	28.8	Very low	31.7	Very low	97 Å²	97	146.7 Å²	146.7	80%	0.802	78%	0.782	S	S	*	*			trans	69.2	160.6	138.4	0	0	0	0	0	119.3
212	V	29.9	Very low	32.4	Very low	147 Å²	147	148.1 Å²	148.1	89%	0.891	79%	0.785	S	S	*	*			cis	-135.3	168.8	19.1	174.5	0	0	0	0	112.2
213	K	31	Very low	32.8	Very low	151 Å²	151	143.3 Å²	143.3	66%	0.657	78%	0.779	S	S	*	*			trans	-107.3	134.1	-172.4	164.9	-130	-176.6	-158.2	0	113.9	E215	K213-E215 HydrophobicContact CD-CG 4.28Å; K213-E215 WeakPolarHBondContact CE-OE1 3.27Å; K213-E215 HydrophobicContact CG-CG 4.45Å; K213-E215 IonicContact NZ-OE1 2.73Å; K213-E215 PolarHBondContact NZ-OE1 2.79Å
214	I	33.2	Very low	33.1	Very low	158 Å²	158	145.8 Å²	145.8	81%	0.81	77%	0.774	S	S	*	*			trans	-145.2	95.3	152.5	-56.5	-177.9	0	0	0	105.6
215	E	28.1	Very low	33.3	Very low	142 Å²	142	141.6 Å²	141.6	66%	0.664	77%	0.768	S	S	*	*				84.3	145.8	85.8	-73.3	-176.7	170.8	0	0	115.6	K213	K213-E215 HydrophobicContact CD-CG 4.28Å; K213-E215 WeakPolarHBondContact CE-OE1 3.27Å; K213-E215 HydrophobicContact CG-CG 4.45Å; K213-E215 IonicContact NZ-OE1 2.73Å; K213-E215 PolarHBondContact NZ-OE1 2.79Å
216	K	45.3	Very low	34	Very low	200 Å²	200	142.4 Å²	142.4	87%	0.87	76%	0.763	S	S	*	*			trans	-113.4	152.3	176.2	-57.7	177.6	179.7	-179	0	108.2
217	L	28.7	Very low	34.1	Very low	165 Å²	165	142.4 Å²	142.4	86%	0.864	76%	0.763	S	S	*	*			trans	-177.3	172.3	133	-102	166.7	0	0	0	110.5
218	S	29.7	Very low	33.6	Very low	92 Å²	92	145.6 Å²	145.6	64%	0.643	77%	0.77	S	S	*	*			trans	12.1	155.1	152.6	-89.9	0	0	0	0	122
219	D	31	Very low	34	Very low	146 Å²	146	145.2 Å²	145.2	78%	0.781	77%	0.772	S	S	*	*			cis	-153.6	175.8	26.2	-124.4	-10.4	0	0	0	113.7
220	D	40.2	Very low	34	Very low	146 Å²	146	145.6 Å²	145.6	78%	0.781	78%	0.775	S	S	*	*			trans	-72.2	167.2	161.5	-76.9	-52	0	0	0	111.8
221	E	39.8	Very low	34.2	Very low	165 Å²	165	147.3 Å²	147.3	77%	0.771	78%	0.778	S	S	*	*			trans	-175.8	102.4	147.3	-99.4	-53.3	107	0	0	107.9	V223	E221-V223 HydrophobicContact CB-CG2 4.38Å; E221-V223 PolarHBondContact O-N 3.07Å
222	E	39.5	Very low	34.1	Very low	195 Å²	195	149.6 Å²	149.6	91%	0.911	78%	0.776	S	S	*	*			trans	-84.5	103.8	165.2	-71.1	-163.1	143.2	0	0	108.9	D224	E222-D224 PolarHBondContact O-N 3.18Å
223	V	35.4	Very low	33.8	Very low	118 Å²	118	147.1 Å²	147.1	72%	0.715	77%	0.766	S	S	*	*			trans	-93.4	100	178.8	-167.3	0	0	0	0	110.1	E221	E221-V223 HydrophobicContact CB-CG2 4.38Å; E221-V223 PolarHBondContact O-N 3.07Å
224	D	30.6	Very low	33.5	Very low	129 Å²	129	144.5 Å²	144.5	69%	0.69	77%	0.766	S	S	*	*			trans	-71.1	161.2	170.7	-156.1	-6.9	0	0	0	111.4	E222	E222-D224 PolarHBondContact O-N 3.18Å
225	I	31.8	Very low	33	Very low	143 Å²	143	145 Å²	145	73%	0.733	77%	0.765	S	S	*	*			trans	-136.3	88.4	170.6	-54	-179.4	0	0	0	108.8
226	T	37.2	Very low	32.8	Very low	111 Å²	111	144.2 Å²	144.2	68%	0.681	77%	0.77	S	S	*	*			trans	-110.8	113.4	165.2	51.4	0	0	0	0	109.5	E228	T226-E228 PolarHBondContact O-N 3.33Å
227	D	41.6	Very low	32.1	Very low	152 Å²	152	140.3 Å²	140.3	81%	0.813	77%	0.765	S	S	*	*			trans	-78.5	108.1	167.2	-70.6	-49.1	0	0	0	109.6
228	E	36.5	Very low	31.9	Very low	168 Å²	168	139.9 Å²	139.9	79%	0.785	76%	0.759	S	S	*	*			trans	20.7	126.6	141.2	-60.8	-70.3	136.7	0	0	119.9	T226	T226-E228 PolarHBondContact O-N 3.33Å
229	V	36.2	Very low	31.6	Very low	137 Å²	137	142.8 Å²	142.8	83%	0.83	77%	0.767	S	S	*	*				-159.5	112.6	129.9	-98.4	0	0	0	0	112.2
230	D	30.8	Very low	31.2	Very low	153 Å²	153	141.5 Å²	141.5	82%	0.818	76%	0.76	S	S	*	*			trans	51	124.6	151.9	-62.1	-19.7	0	0	0	123.4
231	E	32.3	Very low	30.5	Very low	178 Å²	178	139.9 Å²	139.9	83%	0.832	76%	0.76	S	S	*	*			trans	-61.8	166.4	164.3	-55.1	-176.4	96.8	0	0	112.9
232	L	27.5	Very low	29.8	Very low	146 Å²	146	136.7 Å²	136.7	76%	0.764	76%	0.756	S	S	*	*				-170	155.8	62.5	-122.8	158	0	0	0	113.8
233	S	24.6	Very low	29.1	Very low	95 Å²	95	131.7 Å²	131.7	66%	0.664	74%	0.743	S	S	*	*			trans	-31.3	161.4	176.4	73.9	0	0	0	0	119.4
234	S	24	Very low	28.5	Very low	96 Å²	96	132.6 Å²	132.6	67%	0.671	74%	0.744	S	S	*	*				-177.2	153.2	52	39.6	0	0	0	0	117.1
235	Q	23.2	Very low	28.3	Very low	169 Å²	169	132.6 Å²	132.6	79%	0.79	74%	0.743	S	S	*	*			trans	61.7	118.5	140.8	-69	176.9	27	0	0	124.4
236	T	23.1	Very low	27.9	Very low	124 Å²	124	132.3 Å²	132.3	76%	0.761	74%	0.742	S	S	*	*			trans	69.9	164.8	134	62	0	0	0	0	121.4
237	P	30	Very low	27.3	Very low	118 Å²	118	133.3 Å²	133.3	77%	0.766	74%	0.743	S	S	*	*			cis	-131.8	-164.8	-33.4	33.5	-13.7	0	0	0	113.3
238	Q	25.2	Very low	26.5	Very low	157 Å²	157	131.3 Å²	131.3	73%	0.734	73%	0.732	S	S	*	*			trans	-65.8	160.5	172.1	-52.5	175.5	-53.1	0	0	113.8
239	N	23.1	Very low	25.9	Very low	152 Å²	152	132.1 Å²	132.1	81%	0.813	73%	0.733	S	S	*	*				-160.7	165.9	112.7	-114.4	-45.2	0	0	0	115.9
240	N	23.5	Very low	25.3	Very low	119 Å²	119	129.2 Å²	129.2	64%	0.636	72%	0.724	S	S	*	*			trans	-94.8	-173.3	-164.4	-56.1	-72.1	0	0	0	114.7
241	S	23.9	Very low	24.9	Very low	113 Å²	113	128.6 Å²	128.6	79%	0.79	72%	0.72	S	S	*	*			trans	83.6	141.7	148.6	70.7	0	0	0	0	118.6
242	S	25.6	Very low	24.5	Very low	97 Å²	97	124.9 Å²	124.9	68%	0.678	71%	0.714	S	S	*	*			cis	-171.1	-179.3	-15.8	48.8	0	0	0	0	110.4
243	S	24.7	Very low	24.4	Very low	91 Å²	91	126 Å²	126	64%	0.636	71%	0.712	S	S	*	*			trans	69.4	138.6	143.7	46.1	0	0	0	0	118.6
244	D	22.8	Very low	24.3	Very low	136 Å²	136	127.7 Å²	127.7	73%	0.727	71%	0.712	S	S	*	*			cis	-167	166.5	-1.6	-121.2	-27.9	0	0	0	115.2
245	L	26.1	Very low	24.2	Very low	129 Å²	129	129 Å²	129	68%	0.675	71%	0.707	S	S	*	*			trans	63.8	117.3	149.2	-63.9	168.6	0	0	0	118.9
246	L	23.9	Very low	24.1	Very low	138 Å²	138	128.6 Å²	128.6	72%	0.723	71%	0.705	S	S	*	*				78.2	143.7	80.3	-79.8	-160.6	0	0	0	114
247	L	25.5	Very low	24.1	Very low	131 Å²	131	127.5 Å²	127.5	69%	0.686	70%	0.698	S	S	*	*			cis	-149	154.1	12	-103.5	149.4	0	0	0	111
248	D	24.1	Very low	23.7	Very low	111 Å²	111	127.8 Å²	127.8	59%	0.594	69%	0.694	S	S	*	*				19.8	161.8	123.7	-75.1	-26.2	0	0	0	122.3
249	F	23.4	Very low	23.7	Very low	184 Å²	184	127 Å²	127	81%	0.807	69%	0.69	S	S	*	*			cis	-149.2	173.2	12.3	-116.4	-47.1	0	0	0	112.7
250	A	23.6	Very low	23.7	Very low	76 Å²	76	126.5 Å²	126.5	63%	0.628	68%	0.683	S	S	*	*			trans	-61.5	-164.7	174.8	0	0	0	0	0	115.4
251	N	23.2	Very low	23.6	Very low	141 Å²	141	129.2 Å²	129.2	75%	0.754	69%	0.689	S	S	*	*			cis	-171.6	143.3	21.7	-148.6	-9.8	0	0	0	114.4
252	S	24.1	Very low	23.5	Very low	99 Å²	99	131 Å²	131	69%	0.692	69%	0.688	S	S	*	*			trans	65.3	172.8	143.7	89.9	0	0	0	0	118.2
253	K	23.8	Very low	23.4	Very low	169 Å²	169	130.5 Å²	130.5	74%	0.735	69%	0.69	S	S	*	*			cis	-170.5	171.1	-17.5	-130.8	-178	175.1	-177.8	0	109.6
254	M	23.2	Very low	23.3	Very low	131 Å²	131	131.3 Å²	131.3	65%	0.645	70%	0.696	S	S	*	*			trans	69.4	152.9	148.8	-66.4	-94.8	129.9	0	0	117.7
255	H	21.5	Very low	23.3	Very low	124 Å²	124	131.1 Å²	131.1	57%	0.574	70%	0.695	S	S	*	*			cis	-165.5	167.5	-27.5	-129.8	-142.6	0	0	0	110.1
256	E	21.8	Very low	23.2	Very low	160 Å²	160	129.1 Å²	129.1	75%	0.748	69%	0.691	S	S	*	*			trans	29.5	152.1	137.5	-69.8	-174.2	142.4	0	0	123.7
257	T	22.4	Very low	23.1	Very low	102 Å²	102	130.4 Å²	130.4	63%	0.626	69%	0.694	S	S	*	*			cis	-170.8	-173.4	-24.6	-40.4	0	0	0	0	107.3
258	N	22.9	Very low	23.1	Very low	124 Å²	124	131.7 Å²	131.7	66%	0.663	70%	0.696	S	S	*	*			trans	81.7	122.3	144.6	-75.9	-2.5	0	0	0	118
259	Q	24.6	Very low	23	Very low	140 Å²	140	130.3 Å²	130.3	65%	0.654	70%	0.7	S	S	*	*				80.5	146.4	88.2	-94.1	178.2	-47.1	0	0	113.1
260	E	22.9	Very low	22.9	Very low	142 Å²	142	129.6 Å²	129.6	66%	0.664	70%	0.704	S	S	*	*			cis	-167.4	160.1	-0.6	-146.5	164.3	-140.5	0	0	113.1
261	F	21.3	Very low	22.9	Very low	176 Å²	176	135.1 Å²	135.1	77%	0.772	71%	0.714	S	S	*	*			trans	73.1	153.1	140.7	-113.2	-134	0	0	0	125.5
262	I	22.8	Very low	22.8	Very low	150 Å²	150	133.6 Å²	133.6	77%	0.769	72%	0.715	S	S	*	*			trans	72.6	131.7	167.1	-56.8	177.1	0	0	0	116.3
263	A	22.1	Very low	23	Very low	86 Å²	86	138.5 Å²	138.5	71%	0.711	72%	0.723	S	S	*	*			cis	96.8	140.4	10.6	0	0	0	0	0	116.9
264	S	23.8	Very low	23.9	Very low	109 Å²	109	135.9 Å²	135.9	76%	0.762	72%	0.724	S	S	*	*			cis	-127	-131.2	0.8	-64.8	0	0	0	0	110.6
265	D	21.3	Very low	23.9	Very low	132 Å²	132	134.9 Å²	134.9	71%	0.706	73%	0.729	S	S	*	*			cis	-164.8	-178.8	-0.4	-148.3	-88.6	0	0	0	112.7
266	S	24.6	Very low	24	Very low	87 Å²	87	140.2 Å²	140.2	61%	0.608	74%	0.744	S	S	*	*			trans	43.6	115.2	156.7	-66.3	0	0	0	0	121.3
267	Q	23.3	Very low	24	Very low	164 Å²	164	139.7 Å²	139.7	77%	0.766	75%	0.747	S	S	*	*				58.2	139.1	94.5	-74.8	-176.5	-84.8	0	0	116.8
268	E	24	Very low	24	Very low	159 Å²	159	141 Å²	141	74%	0.743	76%	0.759	S	S	*	*			cis	-154.2	142.2	8.5	-134	179.7	-142.2	0	0	115.4
269	A	23.1	Very low	24.1	Very low	82 Å²	82	141.6 Å²	141.6	68%	0.678	76%	0.761	S	S	*	*			trans	42.7	133.4	134.9	0	0	0	0	0	126.3
270	L	21.4	Very low	24	Very low	169 Å²	169	142.4 Å²	142.4	89%	0.885	77%	0.765	S	S	*	*			trans	-157.5	142.5	138.2	-112.6	145.1	0	0	0	112.9
271	F	22.7	Very low	24	Very low	192 Å²	192	141.9 Å²	141.9	84%	0.842	77%	0.766	S	S	*	*			trans	-48.4	166.3	-176.6	-64	-95.9	0	0	0	117.6
272	S	22.4	Very low	24.2	Very low	109 Å²	109	139.8 Å²	139.8	76%	0.762	76%	0.759	S	S	*	*			cis	-161	158.4	17.1	43	0	0	0	0	115.7
273	K	27.8	Very low	24.4	Very low	202 Å²	202	139.4 Å²	139.4	88%	0.878	75%	0.752	S	S	*	*			trans	-134.6	-171	148.4	-71.9	-171.3	175.7	-179.5	0	106.6
274	P	41.8	Very low	24.5	Very low	114 Å²	114	142.8 Å²	142.8	74%	0.74	75%	0.753	S	S	*	*			cis	-143.3	-147.4	2.4	46.2	-24.9	0	0	0	114.7
275	S	23.5	Very low	24.5	Very low	109 Å²	109	142.6 Å²	142.6	76%	0.762	74%	0.744	S	S	*	*			trans	87.8	151.2	165.6	81.5	0	0	0	0	116.8
276	R	23.5	Very low	24.6	Very low	236 Å²	236	144.6 Å²	144.6	89%	0.891	75%	0.746	S	S	*	*			cis	-152.7	151.7	26.9	-163.7	-177.8	-167.1	168.5	4.1	114.8
277	D	22.8	Very low	24.5	Very low	150 Å²	150	147.1 Å²	147.1	80%	0.802	75%	0.751	S	S	*	*			trans	-85	168.4	176.1	-38.2	-100.2	0	0	0	114.3
278	C	22.5	Very low	24.5	Very low	129 Å²	129	146.3 Å²	146.3	87%	0.872	75%	0.751	S	S	*	*			trans	-159.9	169.6	137	-145.5	0	0	0	0	114.2
279	L	23.2	Very low	24.4	Very low	136 Å²	136	143.5 Å²	143.5	71%	0.712	75%	0.749	S	S	*	*			trans	-100.8	161.2	-160.9	-65.9	148.3	0	0	0	115.2
280	Q	24.3	Very low	24.4	Very low	158 Å²	158	144 Å²	144	74%	0.738	75%	0.747	S	S	*	*			trans	44.3	146.1	135.2	-67.7	177.3	-21.2	0	0	120.5
281	N	23	Very low	24.6	Very low	130 Å²	130	140.6 Å²	140.6	70%	0.695	74%	0.738	S	S	*	*			cis	-174.7	166.4	38.2	-131.2	-7.4	0	0	0	114.5
282	E	24.5	Very low	24.7	Very low	132 Å²	132	139.2 Å²	139.2	62%	0.617	73%	0.734	S	S	*	*			trans	64.5	126.1	147.7	-66.5	-145.6	123.8	0	0	127.1
283	K	26.4	Very low	24.8	Very low	142 Å²	142	140.2 Å²	140.2	62%	0.617	73%	0.73	S	S	*	*				84.1	120.6	129.6	-76.2	173.3	178.4	143	0	125.2
284	Q	24.4	Very low	24.5	Very low	157 Å²	157	136.7 Å²	136.7	73%	0.734	72%	0.719	S	S	*	*				64.2	152.8	128.2	-66.3	-175.1	-95	0	0	120.2
285	D	24.2	Very low	23.7	Very low	106 Å²	106	138.7 Å²	138.7	57%	0.567	72%	0.723	S	S	*	*			cis	-158.9	179.3	-9.6	-131.6	-56	0	0	0	110.9
286	K	24.2	Very low	23.7	Very low	173 Å²	173	143.3 Å²	143.3	75%	0.752	72%	0.724	S	S	*	*			trans	1.2	160.7	147.5	-77.7	169.7	-176.2	172.8	0	122.7
287	I	22.5	Very low	23.8	Very low	140 Å²	140	137 Å²	137	72%	0.718	71%	0.711	S	S	*	*			cis	-177	163.7	-18.8	-141.5	175.1	0	0	0	109.9
288	L	23.2	Very low	23.8	Very low	148 Å²	148	136.7 Å²	136.7	78%	0.775	71%	0.705	S	S	*	*			trans	65.8	147.4	159.2	-87.9	167.6	0	0	0	124.4
289	S	20.9	Very low	23.9	Very low	99 Å²	99	138 Å²	138	69%	0.692	70%	0.696	S	S	*	*			trans	69	159.4	145.4	-88.9	0	0	0	0	122.2
290	S	23	Very low	24	Very low	92 Å²	92	140 Å²	140	64%	0.643	70%	0.701	S	S	*	*			cis	175.3	146.5	-38.8	50.2	0	0	0	0	110.2
291	S	25.8	Very low	24	Very low	98 Å²	98	137.4 Å²	137.4	69%	0.685	70%	0.701	S	S	*	*			trans	66.1	162.8	169.5	-61.6	0	0	0	0	116.6
292	E	24.6	Very low	24.1	Very low	163 Å²	163	138.8 Å²	138.8	76%	0.762	71%	0.709	S	S	*	*			cis	-165.2	-165.8	-24.3	-99.6	165.5	72.4	0	0	106.5
293	I	24.4	Very low	24.1	Very low	130 Å²	130	138.3 Å²	138.3	67%	0.667	72%	0.72	S	S	*	*			cis	-160.5	150.6	12.7	-149.4	164.4	0	0	0	113
294	I	22.6	Very low	24.1	Very low	128 Å²	128	137.2 Å²	137.2	66%	0.656	72%	0.721	S	S	*	*			trans	47.4	110.1	149.3	-72.7	168.9	0	0	0	123.8
295	L	24	Very low	24.2	Very low	157 Å²	157	137.6 Å²	137.6	82%	0.822	72%	0.72	S	S	*	*				67.1	-173.5	112.2	-137.4	106.4	0	0	0	124.1
296	W	24.4	Very low	24.3	Very low	206 Å²	206	142 Å²	142	78%	0.78	73%	0.734	S	S	*	*			trans	82.8	135.9	-176.9	-59.2	87.9	0	0	0	116.2
297	T	24	Very low	24.3	Very low	102 Å²	102	139.1 Å²	139.1	63%	0.626	74%	0.736	S	S	*	*			cis	-172.8	163.5	-15.2	12.5	0	0	0	0	109.1
298	E	22.7	Very low	24.4	Very low	145 Å²	145	138.2 Å²	138.2	68%	0.678	74%	0.737	S	S	*	*			cis	-152	-75.8	-10.2	-162.4	-179.5	147.4	0	0	114.5
299	K	26.2	Very low	24.5	Very low	155 Å²	155	139.8 Å²	139.8	67%	0.674	74%	0.74	S	S	*	*			trans	-148.1	-176.9	-167	-71.7	155.7	-166.1	158.9	0	110.1
300	Q	24.7	Very low	24.7	Very low	178 Å²	178	141.9 Å²	141.9	83%	0.832	74%	0.743	S	S	*	*			cis	-154.5	-168.2	9.7	-143.5	143.2	-7.8	0	0	107.7
301	S	23.5	Very low	24.7	Very low	105 Å²	105	144 Å²	144	73%	0.734	75%	0.746	S	S	*	*			cis	-157	-161.2	12.9	67	0	0	0	0	112.7
302	N	25.6	Very low	24.9	Very low	159 Å²	159	146.2 Å²	146.2	85%	0.85	75%	0.751	S	S	*	*			trans	-123.5	150	-176.7	-78.7	-28.4	0	0	0	113.6
303	S	25.1	Very low	24.9	Very low	122 Å²	122	148.3 Å²	148.3	85%	0.853	76%	0.761	S	S	*	*			trans	-176.7	159.7	146.8	54.8	0	0	0	0	111.6
304	D	25.4	Very low	25	Very low	119 Å²	119	150.9 Å²	150.9	64%	0.636	77%	0.767	S	S	*	*			cis	-163.8	152.3	-41	-159	-0.9	0	0	0	110.5
305	K	28.2	Very low	25	Very low	165 Å²	165	153.2 Å²	153.2	72%	0.717	77%	0.773	S	S	*	*			trans	39.2	114.7	164	-71.2	141.4	-163.6	153.2	0	124.9
306	K	25	Very low	24.9	Very low	197 Å²	197	152.5 Å²	152.5	86%	0.857	77%	0.77	S	S	*	*				42.3	128.6	121	-73.5	-170.4	171.6	-172.3	0	124.3
307	S	25.1	Very low	24.9	Very low	113 Å²	113	149.9 Å²	149.9	79%	0.79	77%	0.766	S	S	*	*			trans	-155.4	145	133	-55.2	0	0	0	0	106.8
308	V	24.7	Very low	24.9	Very low	122 Å²	122	153.6 Å²	153.6	74%	0.739	78%	0.781	S	S	*	*			cis	74.8	120.3	37.3	-178.2	0	0	0	0	110.7
309	E	23.8	Very low	25.2	Very low	180 Å²	180	151.3 Å²	151.3	84%	0.841	77%	0.773	S	S	*	*			cis	-147.3	-151.5	13.3	-146.4	154.6	-152.9	0	0	115.1
310	L	25.5	Very low	25.1	Very low	144 Å²	144	153.4 Å²	153.4	75%	0.754	78%	0.782	S	S	*	*			trans	-99.3	171	-154.3	-78	161.9	0	0	0	118.4
311	N	24.3	Very low	25.1	Very low	135 Å²	135	151.9 Å²	151.9	72%	0.722	78%	0.779	S	S	*	*			trans	86.8	112.9	144.1	-83.8	14.1	0	0	0	123.3
312	D	28.1	Very low	25.1	Very low	146 Å²	146	152.2 Å²	152.2	78%	0.781	78%	0.78	S	S	*	*				24.9	121.4	121.5	-67.4	-0.6	0	0	0	120.9
313	Q	25.6	Very low	25.1	Very low	206 Å²	206	151.2 Å²	151.2	96%	0.963	78%	0.775	S	S	*	*			trans	-153.3	163.2	131.3	-115.5	166.5	39.9	0	0	112.4
314	K	26.1	Very low	25.2	Very low	185 Å²	185	154.3 Å²	154.3	80%	0.804	77%	0.773	S	S	*	*			trans	-129	121.1	-152.6	-176.9	179	-179.1	177.5	0	113.3
315	F	22.3	Very low	25.2	Very low	176 Å²	176	156.2 Å²	156.2	77%	0.772	78%	0.778	S	S	*	*			trans	63.6	133.2	161.5	-96	-108.7	0	0	0	119.9
316	N	23.4	Very low	25.1	Very low	142 Å²	142	155.3 Å²	155.3	76%	0.759	78%	0.781	S	S	*	*			trans	60.1	138.5	157.4	-62.2	-5.5	0	0	0	117.5
317	E	24.2	Very low	25.1	Very low	152 Å²	152	149.9 Å²	149.9	71%	0.71	78%	0.781	S	S	*	*			cis	-140.3	164.2	16.4	-63.6	179.6	105.5	0	0	112.3	I319	E317-I319 HydrophobicContact CB-CG1 4.15Å; E317-I319 WeakPolarHBondContact OE1-CD1 3.49Å
318	L	24.1	Very low	25	Very low	180 Å²	180	156.4 Å²	156.4	94%	0.942	79%	0.788	S	S	*	*			trans	-141.7	112.7	143.3	-130.5	171.2	0	0	0	110.3
319	I	27.3	Very low	24.9	Very low	96 Å²	96	153.9 Å²	153.9	49%	0.492	79%	0.787	S	S	.	*			trans	-90.2	134	-164.5	-60	167.9	0	0	0	112.1	E317	E317-I319 HydrophobicContact CB-CG1 4.15Å; E317-I319 WeakPolarHBondContact OE1-CD1 3.49Å
320	K	25.8	Very low	24.9	Very low	200 Å²	200	153.6 Å²	153.6	87%	0.87	79%	0.79	S	S	*	*				-169.1	131.7	119.3	-100.7	164.9	-169.9	177.7	0	113.1
321	N	24.3	Very low	24.8	Very low	146 Å²	146	153.4 Å²	153.4	78%	0.781	79%	0.788	S	S	*	*			trans	-117.8	-176	-168.7	-77.8	-31.3	0	0	0	112.5
322	C	24.1	Very low	24.8	Very low	111 Å²	111	155.9 Å²	155.9	75%	0.75	79%	0.793	S	S	*	*			trans	94.3	138	166.8	-57.9	0	0	0	0	115.7
323	N	24.5	Very low	24.5	Very low	139 Å²	139	155.5 Å²	155.5	74%	0.743	79%	0.791	S	S	*	*			cis	-149.4	151.6	-12.8	-85.6	-32.4	0	0	0	106.8
324	K	26.6	Very low	24.4	Very low	187 Å²	187	148.6 Å²	148.6	81%	0.813	77%	0.769	S	S	*	*			cis	90.2	125.4	42.5	-131.9	-170.7	-170.2	-169.8	0	115.3
325	Q	26.7	Very low	24.3	Very low	158 Å²	158	151.6 Å²	151.6	74%	0.738	78%	0.775	S	S	*	*			trans	89.8	124.2	163.6	-62.9	-164.1	-97.2	0	0	122.5
326	D	25.3	Very low	24.4	Very low	146 Å²	146	151.6 Å²	151.6	78%	0.781	78%	0.777	S	S	*	*				45.9	130.5	127.9	-45.5	-35	0	0	0	122.6
327	G	25.2	Very low	24.7	Very low	83 Å²	83	152.1 Å²	152.1	86%	0.856	78%	0.779	S	S	*	*			trans	-173.9	136.2	166.2	0	0	0	0	0	114.1
328	R	23.4	Very low	24.9	Very low	250 Å²	250	151 Å²	151	94%	0.943	79%	0.785	S	S	*	*			trans	-122.8	105.1	-176	179.9	-159.8	-69.4	-113.2	1.5	112.4
329	G	22.8	Very low	24.8	Very low	70 Å²	70	146.7 Å²	146.7	72%	0.722	77%	0.77	S	S	*	*			trans	69.8	151.7	151.9	0	0	0	0	0	119.6
330	I	23.9	Very low	24.8	Very low	174 Å²	174	148.4 Å²	148.4	89%	0.892	79%	0.787	S	S	*	*			trans	179.5	165.9	143.5	-96	160.6	0	0	0	108.8
331	I	23.6	Very low	24.7	Very low	140 Å²	140	146.1 Å²	146.1	72%	0.718	78%	0.78	S	S	*	*			trans	-117.5	165.2	-167.6	-40.6	173.6	0	0	0	110.1
332	F	22.9	Very low	25.1	Very low	187 Å²	187	144.4 Å²	144.4	82%	0.82	78%	0.777	S	S	*	*			trans	72.6	148.3	174.7	-72.7	-101.5	0	0	0	116.2
333	D	23	Very low	25	Very low	138 Å²	138	143.7 Å²	143.7	74%	0.738	77%	0.772	S	S	*	*			cis	-176	-179.5	-17.6	-177.2	23.7	0	0	0	109
334	A	23.9	Very low	25	Very low	60 Å²	60	144.7 Å²	144.7	50%	0.496	77%	0.772	S	S	.	*			trans	75	87.4	146.5	0	0	0	0	0	120.6
335	R	23.4	Very low	24.9	Very low	249 Å²	249	142.3 Å²	142.3	94%	0.94	77%	0.767	S	S	*	*				-136.5	77.5	126.3	-73.3	-165.3	178.2	-161.7	-0.4	108.8
336	Q	23.5	Very low	24.8	Very low	176 Å²	176	141.9 Å²	141.9	82%	0.822	77%	0.765	S	S	*	*				51.2	107.2	97.7	-74.3	-165.3	-13.9	0	0	115.3
337	L	30.5	Very low	24.8	Very low	153 Å²	153	144 Å²	144	80%	0.801	77%	0.767	S	S	*	*			trans	-65.1	174.5	149.3	-124.4	75.6	0	0	0	110.3
338	P	27.7	Very low	24.7	Very low	128 Å²	128	146.8 Å²	146.8	83%	0.831	76%	0.762	S	S	*	*				-136.5	155.8	111.7	35.3	-24.6	0	0	0	114.5
339	S	22	Very low	24.8	Very low	89 Å²	89	142.6 Å²	142.6	62%	0.622	76%	0.758	S	S	*	*			trans	-89.9	-176.1	171.1	55.1	0	0	0	0	111.8
340	P	28.4	Very low	24.9	Very low	132 Å²	132	146.8 Å²	146.8	86%	0.857	76%	0.764	S	S	*	*			trans	-110.9	146.4	136.3	34.6	-30.5	0	0	0	111.7
341	E	22.4	Very low	24.9	Very low	153 Å²	153	144.4 Å²	144.4	72%	0.715	75%	0.753	S	S	*	*			trans	-129.8	173.9	171.3	-150.3	-160.4	-95.3	0	0	107.3	C343	E341-C343 PolarHBondContact OE2-N 2.93Å
342	P	33.6	Very low	25	Very low	109 Å²	109	144.8 Å²	144.8	71%	0.708	76%	0.756	S	S	*	*				-154.3	149.6	80.5	38.3	-18.4	0	0	0	117.9
343	C	21.7	Very low	25	Very low	97 Å²	97	139.5 Å²	139.5	66%	0.655	76%	0.755	S	S	*	*			trans	60.2	145.7	140.6	-63	0	0	0	0	119.7	E341	E341-C343 PolarHBondContact OE2-N 2.93Å
344	E	25.3	Very low	25	Very low	160 Å²	160	141.4 Å²	141.4	75%	0.748	76%	0.762	S	S	*	*			cis	-162.1	178.5	1.8	-124.8	-165	-50.8	0	0	107.3
345	I	23.8	Very low	25.1	Very low	136 Å²	136	146.4 Å²	146.4	70%	0.697	78%	0.779	S	S	*	*			cis	-138.8	-121.9	12.2	-168.2	157.7	0	0	0	111.9
346	Q	24.9	Very low	25.1	Very low	149 Å²	149	143.8 Å²	143.8	70%	0.696	78%	0.775	S	S	*	*			trans	-147.3	149.7	-167.9	-57.1	170.8	-16.1	0	0	112.5
347	K	24.7	Very low	25.6	Very low	191 Å²	191	141.2 Å²	141.2	83%	0.83	77%	0.773	S	S	*	*				173.1	162.8	105.7	-96.9	179.1	-178.9	178.1	0	114.9
348	D	22.3	Very low	25.2	Very low	142 Å²	142	139.9 Å²	139.9	76%	0.759	78%	0.777	S	S	*	*			trans	-94.5	157.9	-164.1	-59.4	-81.2	0	0	0	117
349	L	26.8	Very low	25	Very low	161 Å²	161	138.6 Å²	138.6	84%	0.843	77%	0.771	S	S	*	*			trans	50.1	114.3	146.4	-66.1	164.8	0	0	0	120.7
350	N	24	Very low	25	Very low	158 Å²	158	139.7 Å²	139.7	85%	0.845	78%	0.777	S	S	*	*				-169.8	133.5	110.9	-119.8	16.5	0	0	0	116.5
351	D	25	Very low	24.8	Very low	125 Å²	125	142.7 Å²	142.7	67%	0.668	78%	0.78	S	S	*	*			trans	34	140.7	135.7	-148.1	37.6	0	0	0	126.5
352	N	24.6	Very low	24.9	Very low	147 Å²	147	144.4 Å²	144.4	79%	0.786	79%	0.79	S	S	*	*			trans	41.9	133.3	151.2	-83.9	-48	0	0	0	124.2
353	G	23.7	Very low	24.6	Very low	77 Å²	77	145.2 Å²	145.2	79%	0.794	79%	0.792	S	S	*	*			trans	165.7	110.1	157.5	0	0	0	0	0	116.4
354	M	23.8	Very low	25	Very low	178 Å²	178	149.8 Å²	149.8	88%	0.877	80%	0.804	S	S	*	*			trans	-52.2	147.9	-177.7	-60.7	176	68.6	0	0	116.6
355	L	24.8	Very low	24.9	Very low	164 Å²	164	150.4 Å²	150.4	86%	0.859	81%	0.807	S	S	*	*			trans	-159.5	130.7	136.8	-108.5	175.8	0	0	0	113.1
356	F	24.2	Very low	25	Very low	195 Å²	195	148.8 Å²	148.8	86%	0.855	81%	0.808	S	S	*	*			trans	-142.7	165.6	166.4	-83.2	-69	0	0	0	106.5
357	P	32.8	Very low	25.1	Very low	121 Å²	121	150.8 Å²	150.8	79%	0.786	82%	0.817	S	S	*	*			cis	-130.9	172.1	6.3	41.8	-27	0	0	0	115.5
358	S	22.1	Very low	25.4	Very low	125 Å²	125	149.8 Å²	149.8	87%	0.874	82%	0.815	S	S	*	*			trans	-154.8	146	141.5	-168.6	0	0	0	0	108.4
359	S	24.2	Very low	26.1	Very low	101 Å²	101	150.7 Å²	150.7	71%	0.706	82%	0.815	S	S	*	*			trans	-120.9	175.3	-165.6	64.9	0	0	0	0	114.3
360	C	21.8	Very low	26.6	Very low	112 Å²	112	150.4 Å²	150.4	76%	0.757	81%	0.809	S	S	*	*			trans	74.9	93	165	-56.4	0	0	0	0	117.6
361	Q	25.1	Very low	27.4	Very low	195 Å²	195	151 Å²	151	91%	0.911	81%	0.807	S	S	*	*				-152.1	152	89.1	-104.4	174.6	-17.1	0	0	110.6
362	M	24.6	Very low	28.4	Very low	189 Å²	189	151.3 Å²	151.3	93%	0.931	81%	0.808	S	S	*	*			trans	-84.8	139.1	-177.3	-51.8	-161.4	-38.1	0	0	110.8
363	V	27	Very low	29.5	Very low	126 Å²	126	151.8 Å²	151.8	76%	0.764	80%	0.803	S	S	*	*			trans	-85.4	144.3	163	178.5	0	0	0	0	108	E365	V363-E365 PolarHBondContact O-N 2.94Å; V363-E365 VanDerWaalsContact O-N 3.08Å
364	E	28.8	Very low	30.9	Very low	193 Å²	193	152.2 Å²	152.2	90%	0.902	79%	0.792	S	S	*	*			trans	-72.9	93	166.4	-68.3	-174.7	130	0	0	109	S366	E364-S366 PolarHBondContact O-N 3.29Å
365	E	24.7	Very low	32.5	Very low	173 Å²	173	145.2 Å²	145.2	81%	0.808	76%	0.76	S	S	*	*			trans	-73.7	115.4	167.4	-75.9	-171.1	143.1	0	0	109.8	V363 H367	V363-E365 PolarHBondContact O-N 2.94Å; V363-E365 VanDerWaalsContact O-N 3.08Å; E365-H367 PolarHBondContact O-N 3.1Å
366	S	25.8	Very low	33.9	Very low	102 Å²	102	145.7 Å²	145.7	71%	0.713	76%	0.757	S	S	*	*			trans	-69.7	108.1	170.5	50.1	0	0	0	0	109.6	E364 E368	E364-S366 PolarHBondContact O-N 3.29Å; S366-E368 PolarHBondContact O-N 3.43Å
367	H	26.6	Very low	35.5	Very low	191 Å²	191	143.9 Å²	143.9	88%	0.884	75%	0.752	S	S	*	*			trans	-60.6	106.1	164.6	-79.2	-75.4	0	0	0	109.6	E365	E365-H367 PolarHBondContact O-N 3.1Å
368	E	31.5	Very low	37.4	Very low	170 Å²	170	141.1 Å²	141.1	79%	0.794	73%	0.728	S	S	*	*			trans	-64.7	133.7	165.3	-57.1	-173.3	149.9	0	0	108.2	S366 E370	S366-E368 PolarHBondContact O-N 3.43Å; E368-E370 PolarHBondContact O-N 3.36Å
369	E	36.7	Very low	40.2	Very low	161 Å²	161	139.2 Å²	139.2	75%	0.752	71%	0.707	S	S	*	*			trans	-73.1	81.1	172.8	-73.7	-165.1	138.9	0	0	108.2	E371 K476	E369-E371 PolarHBondContact O-N 2.91Å; E369-K476 IonicContact OE1-NZ 2.74Å; E369-K476 PolarHBondContact OE1-NZ 2.87Å; E369-K476 IonicContact OE2-NZ 3.49Å; E369-K476 PolarHBondContact OE2-NZ 2.92Å
370	E	37.6	Very low	42.4	Very low	155 Å²	155	142.4 Å²	142.4	72%	0.724	71%	0.711	S	S	*	*			trans	-56.9	122.5	-175.2	-170.6	176.1	-156.5	0	0	111.6	E368 L372	E368-E370 PolarHBondContact O-N 3.36Å; E370-L372 PolarHBondContact O-N 2.95Å
371	E	40.7	Very low	45.3	Very low	171 Å²	171	137.5 Å²	137.5	80%	0.799	68%	0.677	S	S	*	*			trans	-73.6	92.6	178.3	-172.4	167.2	-141.1	0	0	109.5	E369 K373	E369-E371 PolarHBondContact O-N 2.91Å; E371-K373 PolarHBondContact O-N 3.45Å
372	L	45.8	Very low	47.8	Very low	132 Å²	132	131.7 Å²	131.7	69%	0.691	65%	0.652	S	S	*	*			trans	-53.2	113.7	-175.6	-65.9	177.3	0	0	0	111.8	E370	E370-L372 PolarHBondContact O-N 2.95Å
373	K	47.6	Very low	50.5	Low	157 Å²	157	126.7 Å²	126.7	68%	0.683	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-61.7	159.4	171.2	-65.6	169.7	-174.2	161.7	0	110.8	E371	E371-K373 PolarHBondContact O-N 3.45Å
374	P	52	Low	52.9	Low	86 Å²	86	127.1 Å²	127.1	56%	0.558	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-52.5	141.1	168.2	-23.7	34.2	0	0	0	110.7	E376	P374-E376 PolarHBondContact O-N 3.49Å
375	P	57.7	Low	55.4	Low	31 Å²	31	122.7 Å²	122.7	20%	0.201	60%	0.603	C	S	.	*	P	Polyproline II helix	trans	-61.1	127.9	-175.7	24	-33.3	0	0	0	110.9	F461 Y468	P375-F461 HydrophobicContact CB-CD2 4.5Å; P375-F461 HydrophobicContact CB-CE2 4.13Å; P375-F461 HydrophobicContact CG-CD2 4.31Å; P375-F461 HydrophobicContact CG-CE2 4.22Å; P375-F461 WeakPolarHBondContact O-CE2 3.46Å; P375-Y468 HydrophobicContact CG-CD1 3.68Å; P375-Y468 HydrophobicContact CG-CE1 3.74Å; P375-Y468 HydrophobicContact CG-CG 4.35Å
376	E	53.8	Low	58.2	Low	173 Å²	173	115.8 Å²	115.8	81%	0.808	57%	0.571	S	S	*	*	S	Bend	trans	-83	-16.3	179.2	-61.7	-177.3	-179.5	0	0	112.2	P374	P374-E376 PolarHBondContact O-N 3.49Å
377	Q	57.8	Low	60.9	Low	158 Å²	158	115.2 Å²	115.2	74%	0.738	56%	0.557	S	S	*	*	S	Bend	trans	-144.3	152.7	178.5	-172	171.5	1.6	0	0	110.8	F461	Q377-F461 VanDerWaalsContact C-CZ 3.44Å; Q377-F461 WeakPolarHBondContact O-CE2 3.04Å
378	E	74.3	Confident	63.1	Low	62 Å²	62	111.7 Å²	111.7	29%	0.29	54%	0.541	S	S	.	.			trans	-67.2	133.8	173.6	-170.5	173.1	-162.5	0	0	111.3	W420 K424 F461	E378-W420 PolarHBondContact OE1-NE1 2.97Å; E378-K424 WeakPolarHBondContact OE1-CE 3.44Å; E378-K424 IonicContact OE1-NZ 3.29Å; E378-K424 PolarHBondContact OE1-NZ 3.2Å; E378-K424 WeakPolarHBondContact OE2-CE 3.2Å; E378-K424 IonicContact OE2-NZ 2.73Å; E378-K424 PolarHBondContact OE2-NZ 2.83Å; E378-F461 HydrophobicContact CB-CB 4.01Å; E378-F461 HydrophobicContact CB-CD1 3.68Å; E378-F461 HydrophobicContact CB-CD2 4.24Å; E378-F461 HydrophobicContact CB-CE1 4.23Å; E378-F461 HydrophobicContact CB-CG 3.69Å; E378-F461 HydrophobicContact CG-CB 3.83Å; E378-F461 HydrophobicContact CG-CD1 4.37Å; E378-F461 HydrophobicContact CG-CG 4.09Å
379	I	79.2	Confident	65.4	Low	85 Å²	85	109.3 Å²	109.3	44%	0.436	53%	0.53	S	S	.	.			trans	-103	112.9	-175.7	-57.2	-169.7	0	0	0	110.8	I456 G457 A458	I379-I456 VanDerWaalsContact CD1-O 3.28Å; I379-I456 WeakPolarHBondContact CD1-O 3.25Å; I379-I456 WeakPolarHBondContact CG1-O 3.47Å; I379-G457 PolarHBondContact N-O 2.91Å; I379-G457 VanDerWaalsContact N-O 3.13Å; I379-A458 WeakPolarHBondContact O-CA 3.39Å; I379-A458 WeakPolarHBondContact O-CB 3.46Å
380	E	72.1	Confident	67.6	Low	169 Å²	169	101.6 Å²	101.6	79%	0.79	49%	0.494	S	S	*	.			trans	-79.1	128.4	169.4	-170.6	174.2	-174.6	0	0	110.6
381	I	81.4	Confident	69.7	Low	8 Å²	8	97 Å²	97	4%	0.041	47%	0.471	C	S	.	.			trans	-105.9	131.4	-178.6	-58.8	176.2	0	0	0	109.8	R383 L417 L453 I456 A458	I381-R383 PolarHBondContact O-N 2.84Å; I381-L417 HydrophobicContact CB-CD1 4.26Å; I381-L453 HydrophobicContact CD1-CD2 3.48Å; I381-L453 VanDerWaalsContact CD1-CD2 3.48Å; I381-I456 HydrophobicContact CD1-CD1 3.86Å; I381-A458 HydrophobicContact CD1-CB 3.51Å; I381-A458 HydrophobicContact CG1-CB 3.97Å
382	D	78.3	Confident	71.6	Confident	73 Å²	73	96.5 Å²	96.5	39%	0.39	47%	0.469	S	S	.	.			trans	-60.4	113.2	170.9	-177.3	-10.6	0	0	0	110.3	N384 I385 R413	D382-N384 PolarHBondContact O-N 2.71Å; D382-N384 VanDerWaalsContact O-N 3.08Å; D382-N384 PolarHBondContact OD1-N 2.88Å; D382-N384 PolarHBondContact OD1-ND2 2.99Å; D382-I385 HydrophobicContact CB-CB 4.37Å; D382-I385 PolarHBondContact O-N 2.97Å; D382-I385 VanDerWaalsContact OD2-CD1 3.25Å; D382-I385 WeakPolarHBondContact OD2-CD1 3.35Å; D382-I385 WeakPolarHBondContact OD2-CG1 3.43Å; D382-R413 PolarHBondContact O-NH2 3.07Å
383	R	81.8	Confident	73.2	Confident	85 Å²	85	91.9 Å²	91.9	32%	0.321	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-22.2	-178.5	-62.7	164.5	179.9	-111.7	-4.6	112.7	I381 R413 N414 D418 E421	I381-R383 PolarHBondContact O-N 2.84Å; R383-R413 PolarHBondContact O-NH2 3.42Å; R383-N414 PolarHBondContact O-ND2 3.44Å; R383-N414 PolarHBondContact O-OD1 2.95Å; R383-D418 IonicContact CZ-OD1 3.85Å; R383-D418 IonicContact NH1-OD1 2.75Å; R383-D418 PolarHBondContact NH1-OD1 3.23Å; R383-E421 IonicContact NH2-OE1 3.25Å
384	N	76.6	Confident	75	Confident	134 Å²	134	84.7 Å²	84.7	72%	0.717	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	-22.1	-174	-53.3	-68.7	0	0	0	114.4	D382	D382-N384 PolarHBondContact O-N 2.71Å; D382-N384 VanDerWaalsContact O-N 3.08Å; D382-N384 PolarHBondContact OD1-N 2.88Å; D382-N384 PolarHBondContact OD1-ND2 2.99Å
385	I	81.4	Confident	76.4	Confident	101 Å²	101	83.3 Å²	83.3	52%	0.518	41%	0.41	S	S	.	.			trans	-104.8	146.7	-176	-61.7	-179.5	0	0	0	110.2	D382 R413	D382-I385 HydrophobicContact CB-CB 4.37Å; D382-I385 PolarHBondContact O-N 2.97Å; D382-I385 VanDerWaalsContact OD2-CD1 3.25Å; D382-I385 WeakPolarHBondContact OD2-CD1 3.35Å; D382-I385 WeakPolarHBondContact OD2-CG1 3.43Å; I385-R413 PolarHBondContact O-NH1 3.17Å; I385-R413 PolarHBondContact O-NH2 3.29Å; I385-R413 VanDerWaalsContact O-NH2 3.11Å
386	I	84	Confident	77.6	Confident	27 Å²	27	83 Å²	83	14%	0.138	41%	0.406	C	S	.	.			trans	-110.6	112.2	171.2	-50.5	176.4	0	0	0	108.4	E390 K391 F398 P406 Y409 L410	I386-E390 VanDerWaalsContact CA-OE2 3.32Å; I386-E390 WeakPolarHBondContact CA-OE2 3.42Å; I386-E390 HydrophobicContact CG2-CB 4.07Å; I386-K391 HydrophobicContact CG2-CG 3.91Å; I386-K391 WeakPolarHBondContact O-CE 3.48Å; I386-K391 PolarHBondContact O-NZ 3.07Å; I386-F398 HydrophobicContact CD1-CE1 3.68Å; I386-F398 HydrophobicContact CD1-CZ 4.07Å; I386-F398 HydrophobicContact CG2-CE1 3.95Å; I386-F398 HydrophobicContact CG2-CZ 3.69Å; I386-P406 HydrophobicContact CD1-CB 3.93Å; I386-Y409 HydrophobicContact CD1-CD1 4.29Å; I386-Y409 HydrophobicContact CG2-CD1 4.48Å; I386-Y409 HydrophobicContact CG2-CE1 4.27Å; I386-L410 HydrophobicContact CD1-CD1 3.96Å; I386-L410 HydrophobicContact CD1-CD2 4.14Å; I386-L410 HydrophobicContact CD1-CG 3.76Å; I386-L410 HydrophobicContact CG1-CD1 4.12Å; I386-L410 HydrophobicContact CG1-CD2 3.62Å; I386-L410 HydrophobicContact CG1-CG 3.83Å
387	Q	82.4	Confident	79	Confident	90 Å²	90	74.8 Å²	74.8	42%	0.421	37%	0.368	S	S	.	.			trans	-70.2	162.6	178.8	-59.6	-179.2	-23.2	0	0	110.8	E389 E390 K391	Q387-E389 VanDerWaalsContact C-N 3.32Å; Q387-E389 WeakPolarHBondContact CB-OE2 3.22Å; Q387-E390 HydrophobicContact CB-CG 4.2Å; Q387-E390 PolarHBondContact N-OE2 2.91Å; Q387-E390 PolarHBondContact O-N 2.6Å; Q387-K391 VanDerWaalsContact O-CE 3.32Å; Q387-K391 WeakPolarHBondContact O-CE 3.27Å; Q387-K391 WeakPolarHBondContact O-CG 3.48Å; Q387-K391 PolarHBondContact O-N 2.89Å
388	E	73.6	Confident	80.3	Confident	118 Å²	118	70.1 Å²	70.1	55%	0.551	35%	0.345	S	S	*	.	H	α-helix	trans	-75.3	-30.2	-175.8	-156	60.6	-140.5	0	0	111.2	E390 K391 Q392	E388-E390 VanDerWaalsContact C-N 3.3Å; E388-E390 PolarHBondContact O-N 3.4Å; E388-K391 WeakPolarHBondContact O-CB 3.26Å; E388-K391 PolarHBondContact O-N 3.42Å; E388-K391 VanDerWaalsContact O-N 3.15Å; E388-K391 WeakPolarHBondContact OE2-CD 3.48Å; E388-K391 IonicContact OE2-NZ 2.74Å; E388-K391 PolarHBondContact OE2-NZ 2.85Å; E388-Q392 WeakPolarHBondContact O-CB 3.23Å; E388-Q392 PolarHBondContact O-N 3.14Å
389	E	78.1	Confident	80.5	Confident	119 Å²	119	71.2 Å²	71.2	56%	0.556	35%	0.35	S	S	*	.	H	α-helix	trans	-60.1	-39.2	174.6	-61.9	64.4	-142.1	0	0	111	Q387 A393	Q387-E389 VanDerWaalsContact C-N 3.32Å; Q387-E389 WeakPolarHBondContact CB-OE2 3.22Å; E389-A393 VanDerWaalsContact O-CB 3.26Å; E389-A393 WeakPolarHBondContact O-CB 3.2Å; E389-A393 PolarHBondContact O-N 3.2Å
390	E	83	Confident	79.9	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-67.3	-40.7	175.2	-65.9	-176	96.2	0	0	111.9	I386 Q387 E388 A393 I394 Y409 R413 Y452	I386-E390 VanDerWaalsContact CA-OE2 3.32Å; I386-E390 WeakPolarHBondContact CA-OE2 3.42Å; I386-E390 HydrophobicContact CG2-CB 4.07Å; Q387-E390 HydrophobicContact CB-CG 4.2Å; Q387-E390 PolarHBondContact N-OE2 2.91Å; Q387-E390 PolarHBondContact O-N 2.6Å; E388-E390 VanDerWaalsContact C-N 3.3Å; E388-E390 PolarHBondContact O-N 3.4Å; E390-A393 PolarHBondContact O-N 2.96Å; E390-I394 PolarHBondContact O-N 3.3Å; E390-Y409 HydrophobicContact CB-CE1 4.42Å; E390-Y409 PolarHBondContact OE1-OH 3.32Å; E390-R413 WeakPolarHBondContact OE1-CD 3.48Å; E390-R413 IonicContact OE1-CZ 2.67Å; E390-R413 IonicContact OE1-NE 3.59Å; E390-R413 IonicContact OE1-NH1 3.14Å; E390-R413 PolarHBondContact OE1-NH1 3.34Å; E390-R413 IonicContact OE2-NH1 3.65Å; E390-R413 PolarHBondContact OE2-NH1 2.72Å; E390-Y452 HydrophobicContact CB-CE1 4.47Å; E390-Y452 HydrophobicContact CG-CE1 3.92Å; E390-Y452 WeakPolarHBondContact CG-OH 3.29Å
391	K	83.1	Confident	79.9	Confident	58 Å²	58	66.7 Å²	66.7	25%	0.252	34%	0.343	S	S	.	.	H	α-helix	trans	-68.2	-40.9	177.6	-59.4	165.8	-151.1	157.5	0	110.6	I386 Q387 E388 I394 P395 F398	I386-K391 HydrophobicContact CG2-CG 3.91Å; I386-K391 WeakPolarHBondContact O-CE 3.48Å; I386-K391 PolarHBondContact O-NZ 3.07Å; Q387-K391 VanDerWaalsContact O-CE 3.32Å; Q387-K391 WeakPolarHBondContact O-CE 3.27Å; Q387-K391 WeakPolarHBondContact O-CG 3.48Å; Q387-K391 PolarHBondContact O-N 2.89Å; E388-K391 WeakPolarHBondContact O-CB 3.26Å; E388-K391 PolarHBondContact O-N 3.42Å; E388-K391 VanDerWaalsContact O-N 3.15Å; E388-K391 WeakPolarHBondContact OE2-CD 3.48Å; E388-K391 IonicContact OE2-NZ 2.74Å; E388-K391 PolarHBondContact OE2-NZ 2.85Å; K391-I394 CarbonylContact O-C 3.59Å; K391-I394 PolarHBondContact O-N 3.08Å; K391-P395 WeakPolarHBondContact O-CA 3.3Å; K391-P395 WeakPolarHBondContact O-CD 3.44Å; K391-F398 HydrophobicContact CB-CD2 3.93Å; K391-F398 HydrophobicContact CB-CE2 4.2Å; K391-F398 HydrophobicContact CB-CG 4.26Å; K391-F398 HydrophobicContact CG-CD1 4.03Å; K391-F398 HydrophobicContact CG-CD2 3.93Å; K391-F398 HydrophobicContact CG-CE1 4.04Å; K391-F398 HydrophobicContact CG-CE2 3.93Å; K391-F398 HydrophobicContact CG-CG 3.99Å; K391-F398 HydrophobicContact CG-CZ 4Å
392	Q	79.9	Confident	79	Confident	160 Å²	160	76 Å²	76	75%	0.748	39%	0.386	S	S	*	.	H	α-helix	trans	-69.6	-33.9	177	-176.7	65	-10.5	0	0	112.3	E388	E388-Q392 WeakPolarHBondContact O-CB 3.23Å; E388-Q392 PolarHBondContact O-N 3.14Å
393	A	79.9	Confident	78.7	Confident	35 Å²	35	76 Å²	76	29%	0.289	40%	0.397	S	S	.	.	H	α-helix	trans	-73.6	-37.1	173.6	0	0	0	0	0	113	E389 E390 P395 Y452	E389-A393 VanDerWaalsContact O-CB 3.26Å; E389-A393 WeakPolarHBondContact O-CB 3.2Å; E389-A393 PolarHBondContact O-N 3.2Å; E390-A393 PolarHBondContact O-N 2.96Å; A393-P395 VanDerWaalsContact C-CD 3.48Å; A393-Y452 HydrophobicContact CB-CD2 3.54Å; A393-Y452 HydrophobicContact CB-CE2 3.44Å; A393-Y452 VanDerWaalsContact CB-CE2 3.44Å; A393-Y452 HydrophobicContact CB-CG 4.27Å
394	I	84.8	Confident	78.8	Confident	6 Å²	6	74.1 Å²	74.1	3%	0.031	39%	0.391	C	S	.	.			trans	-133.2	60	-172.2	-43.5	-172	0	0	0	111.6	E390 K391 E396 F397 F398 Y409 I449 Y452	E390-I394 PolarHBondContact O-N 3.3Å; K391-I394 CarbonylContact O-C 3.59Å; K391-I394 PolarHBondContact O-N 3.08Å; I394-E396 HydrophobicContact CG2-CG 4.09Å; I394-E396 PolarHBondContact O-N 3.09Å; I394-F397 HydrophobicContact CG2-CD2 3.85Å; I394-F397 HydrophobicContact CG2-CE2 4.1Å; I394-F398 WeakPolarHBondContact O-CD2 3.44Å; I394-F398 WeakPolarHBondContact O-CE2 3.31Å; I394-Y409 HydrophobicContact CB-CE2 4.02Å; I394-Y409 HydrophobicContact CD1-CE2 3.94Å; I394-Y409 HydrophobicContact CG1-CE2 4.4Å; I394-Y409 HydrophobicContact CG2-CE2 4.19Å; I394-I449 HydrophobicContact CD1-CB 4.18Å; I394-I449 HydrophobicContact CD1-CG1 3.68Å; I394-I449 HydrophobicContact CG2-CG1 4.36Å; I394-Y452 HydrophobicContact CD1-CD1 4.01Å; I394-Y452 HydrophobicContact CD1-CG 4.02Å
395	P	82.4	Confident	79.1	Confident	58 Å²	58	69.6 Å²	69.6	38%	0.377	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-63.2	-21.7	-171.7	24	-35.4	0	0	0	114.2	K391 A393 F397 F398 E399	K391-P395 WeakPolarHBondContact O-CA 3.3Å; K391-P395 WeakPolarHBondContact O-CD 3.44Å; A393-P395 VanDerWaalsContact C-CD 3.48Å; P395-F397 PolarHBondContact O-N 2.88Å; P395-F398 WeakPolarHBondContact O-CA 3.46Å; P395-F398 PolarHBondContact O-N 3.34Å; P395-E399 WeakPolarHBondContact O-CG 3.39Å; P395-E399 PolarHBondContact O-N 3.08Å
396	E	81.8	Confident	79.4	Confident	23 Å²	23	67 Å²	67	11%	0.107	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-65	-7.7	-174.5	57.6	166.1	-131.5	0	0	116	I394 K404 C445 R448	I394-E396 HydrophobicContact CG2-CG 4.09Å; I394-E396 PolarHBondContact O-N 3.09Å; E396-K404 HydrophobicContact CB-CD 4.28Å; E396-K404 HydrophobicContact CG-CD 4.4Å; E396-K404 VanDerWaalsContact O-CB 3.24Å; E396-K404 WeakPolarHBondContact O-CB 3.47Å; E396-K404 WeakPolarHBondContact O-CD 3.32Å; E396-K404 IonicContact OE1-NZ 3.19Å; E396-K404 PolarHBondContact OE1-NZ 2.83Å; E396-K404 IonicContact OE2-NZ 2.76Å; E396-K404 PolarHBondContact OE2-NZ 2.84Å; E396-C445 PolarHBondContact OE1-SG 2.97Å; E396-C445 VanDerWaalsContact OE1-SG 3.37Å; E396-R448 VanDerWaalsContact CD-NH1 3.32Å; E396-R448 IonicContact OE1-CZ 2.68Å; E396-R448 IonicContact OE1-NH1 2.69Å; E396-R448 IonicContact OE1-NH2 3.85Å; E396-R448 PolarHBondContact OE1-NH2 3.48Å; E396-R448 VanDerWaalsContact OE1-NH2 3.08Å; E396-R448 IonicContact OE2-CZ 3.2Å; E396-R448 VanDerWaalsContact OE2-CZ 3.22Å; E396-R448 IonicContact OE2-NH1 3.28Å; E396-R448 PolarHBondContact OE2-NH1 3.36Å; E396-R448 IonicContact OE2-NH2 2.69Å; E396-R448 PolarHBondContact OE2-NH2 2.98Å
397	F	83.2	Confident	79.4	Confident	2 Å²	2	71.6 Å²	71.6	1%	0.009	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-99	-9	169.3	-70.6	-99.1	0	0	0	113.9	I394 P395 K404 T405 R408 Y409 I412 C445 I449	I394-F397 HydrophobicContact CG2-CD2 3.85Å; I394-F397 HydrophobicContact CG2-CE2 4.1Å; P395-F397 PolarHBondContact O-N 2.88Å; F397-K404 HydrophobicContact CD1-CB 3.87Å; F397-K404 HydrophobicContact CD1-CG 4.42Å; F397-K404 HydrophobicContact CE1-CB 4.24Å; F397-K404 HydrophobicContact CE1-CG 4.31Å; F397-K404 HydrophobicContact CE2-CD 4.49Å; F397-K404 HydrophobicContact CG-CB 4.18Å; F397-T405 CarbonylContact O-C 3.26Å; F397-R408 HydrophobicContact CE1-CG 4.19Å; F397-Y409 HydrophobicContact CB-CD2 4.28Å; F397-Y409 HydrophobicContact CB-CG 4.41Å; F397-Y409 AromaticContact CD2-CD2 3.96Å; F397-Y409 HydrophobicContact CD2-CD2 3.96Å; F397-Y409 HydrophobicContact CE2-CD2 4.45Å; F397-Y409 HydrophobicContact CG-CD2 4.04Å; F397-Y409 HydrophobicContact CG-CG 4.43Å; F397-I412 HydrophobicContact CE1-CD1 4.03Å; F397-I412 HydrophobicContact CZ-CD1 4.01Å; F397-C445 HydrophobicContact CE2-CB 4.21Å; F397-C445 HydrophobicContact CZ-CB 4Å; F397-I449 HydrophobicContact CE2-CD1 3.85Å; F397-I449 HydrophobicContact CZ-CD1 3.85Å
398	F	84.9	Confident	79.6	Confident	59 Å²	59	71.3 Å²	71.3	26%	0.259	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-17.4	-175.9	-53.7	-72.3	0	0	0	112.3	I386 K391 I394 P395 G400 P406 Y409	I386-F398 HydrophobicContact CD1-CE1 3.68Å; I386-F398 HydrophobicContact CD1-CZ 4.07Å; I386-F398 HydrophobicContact CG2-CE1 3.95Å; I386-F398 HydrophobicContact CG2-CZ 3.69Å; K391-F398 HydrophobicContact CB-CD2 3.93Å; K391-F398 HydrophobicContact CB-CE2 4.2Å; K391-F398 HydrophobicContact CB-CG 4.26Å; K391-F398 HydrophobicContact CG-CD1 4.03Å; K391-F398 HydrophobicContact CG-CD2 3.93Å; K391-F398 HydrophobicContact CG-CE1 4.04Å; K391-F398 HydrophobicContact CG-CE2 3.93Å; K391-F398 HydrophobicContact CG-CG 3.99Å; K391-F398 HydrophobicContact CG-CZ 4Å; I394-F398 WeakPolarHBondContact O-CD2 3.44Å; I394-F398 WeakPolarHBondContact O-CE2 3.31Å; P395-F398 WeakPolarHBondContact O-CA 3.46Å; P395-F398 PolarHBondContact O-N 3.34Å; F398-G400 PolarHBondContact O-N 3.29Å; F398-P406 HydrophobicContact CD1-CB 4.3Å; F398-P406 HydrophobicContact CD1-CG 3.97Å; F398-P406 HydrophobicContact CE1-CB 3.95Å; F398-P406 HydrophobicContact CE1-CG 4.13Å; F398-Y409 HydrophobicContact CE2-CD2 4.38Å; F398-Y409 HydrophobicContact CE2-CG 4.38Å; F398-Y409 AromaticContact CZ-CD1 3.85Å; F398-Y409 HydrophobicContact CZ-CD1 3.85Å; F398-Y409 HydrophobicContact CZ-CD2 4.31Å; F398-Y409 HydrophobicContact CZ-CE1 4.29Å; F398-Y409 AromaticContact CZ-CG 3.87Å; F398-Y409 HydrophobicContact CZ-CG 3.87Å
399	E	79	Confident	80.3	Confident	86 Å²	86	65.7 Å²	65.7	40%	0.402	35%	0.348	S	S	.	.	S	Bend	trans	-60.6	9.4	170.3	-72.1	169.8	-154.5	0	0	116	P395 R401	P395-E399 WeakPolarHBondContact O-CG 3.39Å; P395-E399 PolarHBondContact O-N 3.08Å; E399-R401 HydrophobicContact CB-CG 4.32Å; E399-R401 PolarHBondContact O-N 3.45Å; E399-R401 IonicContact OE2-CZ 2.65Å; E399-R401 IonicContact OE2-NE 3.3Å; E399-R401 PolarHBondContact OE2-NE 2.92Å; E399-R401 IonicContact OE2-NH2 3.38Å; E399-R401 PolarHBondContact OE2-NH2 2.97Å
400	G	67.3	Low	80.8	Confident	74 Å²	74	61.9 Å²	61.9	76%	0.763	33%	0.331	S	S	*	.			trans	70.7	30.1	173.7	0	0	0	0	0	115.7	F398	F398-G400 PolarHBondContact O-N 3.29Å
401	R	70.4	Confident	81.1	Confident	84 Å²	84	68.5 Å²	68.5	32%	0.317	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-88.4	127.1	-177.5	-59.3	179	-176.1	-121.2	9.2	111.1	E399 A403 K404	E399-R401 HydrophobicContact CB-CG 4.32Å; E399-R401 PolarHBondContact O-N 3.45Å; E399-R401 IonicContact OE2-CZ 2.65Å; E399-R401 IonicContact OE2-NE 3.3Å; E399-R401 PolarHBondContact OE2-NE 2.92Å; E399-R401 IonicContact OE2-NH2 3.38Å; E399-R401 PolarHBondContact OE2-NH2 2.97Å; R401-A403 PolarHBondContact O-N 3.03Å; R401-K404 HydrophobicContact CB-CB 4.41Å; R401-K404 CarbonylContact O-C 3.59Å; R401-K404 VanDerWaalsContact O-C 3.26Å; R401-K404 PolarHBondContact O-N 2.92Å
402	Q	64.3	Low	81.4	Confident	203 Å²	203	65.7 Å²	65.7	95%	0.949	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-23.3	-180	-70.4	-179	-18.6	0	0	115.8
403	A	71.7	Confident	82	Confident	74 Å²	74	58.1 Å²	58.1	61%	0.612	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-6.7	178.2	0	0	0	0	0	114.8	R401 R408	R401-A403 PolarHBondContact O-N 3.03Å; A403-R408 VanDerWaalsContact O-CD 3.25Å; A403-R408 WeakPolarHBondContact O-CD 3.19Å; A403-R408 PolarHBondContact O-NE 3.43Å
404	K	82.3	Confident	82.5	Confident	45 Å²	45	58 Å²	58	20%	0.196	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-141.8	98.2	179.6	-64.9	-170.9	-176.2	-173.4	0	108.8	E396 F397 R401 C445	E396-K404 HydrophobicContact CB-CD 4.28Å; E396-K404 HydrophobicContact CG-CD 4.4Å; E396-K404 VanDerWaalsContact O-CB 3.24Å; E396-K404 WeakPolarHBondContact O-CB 3.47Å; E396-K404 WeakPolarHBondContact O-CD 3.32Å; E396-K404 IonicContact OE1-NZ 3.19Å; E396-K404 PolarHBondContact OE1-NZ 2.83Å; E396-K404 IonicContact OE2-NZ 2.76Å; E396-K404 PolarHBondContact OE2-NZ 2.84Å; F397-K404 HydrophobicContact CD1-CB 3.87Å; F397-K404 HydrophobicContact CD1-CG 4.42Å; F397-K404 HydrophobicContact CE1-CB 4.24Å; F397-K404 HydrophobicContact CE1-CG 4.31Å; F397-K404 HydrophobicContact CE2-CD 4.49Å; F397-K404 HydrophobicContact CG-CB 4.18Å; R401-K404 HydrophobicContact CB-CB 4.41Å; R401-K404 CarbonylContact O-C 3.59Å; R401-K404 VanDerWaalsContact O-C 3.26Å; R401-K404 PolarHBondContact O-N 2.92Å; K404-C445 WeakPolarHBondContact CE-SG 3.28Å; K404-C445 PolarHBondContact NZ-SG 3.1Å
405	T	84.8	Confident	82.8	Confident	40 Å²	40	60.7 Å²	60.7	25%	0.245	32%	0.317	C	S	.	.			trans	-120.6	161.9	-174.5	64.6	0	0	0	0	110.7	F397 E407 R408 Y409	F397-T405 CarbonylContact O-C 3.26Å; T405-E407 VanDerWaalsContact C-N 3.3Å; T405-E407 WeakPolarHBondContact CB-OE2 3.23Å; T405-E407 PolarHBondContact O-N 2.77Å; T405-E407 PolarHBondContact OG1-OE2 2.78Å; T405-R408 WeakPolarHBondContact O-CB 3.33Å; T405-R408 PolarHBondContact O-N 2.85Å; T405-R408 VanDerWaalsContact O-N 3.09Å; T405-Y409 PolarHBondContact O-N 2.68Å
406	P	85.9	Confident	83.3	Confident	46 Å²	46	58 Å²	58	30%	0.299	30%	0.299	S	S	.	.	H	α-helix	trans	-58.3	-37.2	-178.7	-27.5	37.3	0	0	0	114	I386 F398 R408 Y409 L410	I386-P406 HydrophobicContact CD1-CB 3.93Å; F398-P406 HydrophobicContact CD1-CB 4.3Å; F398-P406 HydrophobicContact CD1-CG 3.97Å; F398-P406 HydrophobicContact CE1-CB 3.95Å; F398-P406 HydrophobicContact CE1-CG 4.13Å; P406-R408 VanDerWaalsContact C-N 3.28Å; P406-R408 PolarHBondContact O-N 2.99Å; P406-Y409 WeakPolarHBondContact O-CB 3.47Å; P406-Y409 PolarHBondContact O-N 3.15Å; P406-L410 PolarHBondContact O-N 2.83Å
407	E	85.4	Confident	83.6	Confident	124 Å²	124	57.4 Å²	57.4	58%	0.579	30%	0.297	S	S	*	.	H	α-helix	trans	-69.6	-31.4	179.5	-35.6	70.7	-148.6	0	0	110.9	T405 K411	T405-E407 VanDerWaalsContact C-N 3.3Å; T405-E407 WeakPolarHBondContact CB-OE2 3.23Å; T405-E407 PolarHBondContact O-N 2.77Å; T405-E407 PolarHBondContact OG1-OE2 2.78Å; E407-K411 WeakPolarHBondContact O-CB 3.13Å; E407-K411 PolarHBondContact O-N 3.39Å
408	R	85.4	Confident	84	Confident	84 Å²	84	60.2 Å²	60.2	32%	0.317	31%	0.312	S	S	.	.	H	α-helix	trans	-74.1	-32.5	173.4	-177	179.9	-72.1	-88.2	-0.9	111.9	F397 A403 T405 P406 I412 N439 C440	F397-R408 HydrophobicContact CE1-CG 4.19Å; A403-R408 VanDerWaalsContact O-CD 3.25Å; A403-R408 WeakPolarHBondContact O-CD 3.19Å; A403-R408 PolarHBondContact O-NE 3.43Å; T405-R408 WeakPolarHBondContact O-CB 3.33Å; T405-R408 PolarHBondContact O-N 2.85Å; T405-R408 VanDerWaalsContact O-N 3.09Å; P406-R408 VanDerWaalsContact C-N 3.28Å; P406-R408 PolarHBondContact O-N 2.99Å; R408-I412 HydrophobicContact CG-CD1 4.47Å; R408-I412 WeakPolarHBondContact O-CD1 3.18Å; R408-I412 WeakPolarHBondContact O-CG1 3.43Å; R408-I412 PolarHBondContact O-N 3.37Å; R408-N439 PolarHBondContact NH1-O 3.31Å; R408-C440 VanDerWaalsContact CD-O 3.23Å; R408-C440 WeakPolarHBondContact CD-O 3.45Å; R408-C440 WeakPolarHBondContact CG-O 3.49Å; R408-C440 VanDerWaalsContact NH1-C 3.27Å; R408-C440 PolarHBondContact NH1-O 3.04Å
409	Y	89.3	Confident	84.1	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-63.2	-55.4	169.6	176.7	-94.4	0	0	0	110.5	I386 E390 I394 F397 F398 T405 P406 K411 I412 R413 I449	I386-Y409 HydrophobicContact CD1-CD1 4.29Å; I386-Y409 HydrophobicContact CG2-CD1 4.48Å; I386-Y409 HydrophobicContact CG2-CE1 4.27Å; E390-Y409 HydrophobicContact CB-CE1 4.42Å; E390-Y409 PolarHBondContact OE1-OH 3.32Å; I394-Y409 HydrophobicContact CB-CE2 4.02Å; I394-Y409 HydrophobicContact CD1-CE2 3.94Å; I394-Y409 HydrophobicContact CG1-CE2 4.4Å; I394-Y409 HydrophobicContact CG2-CE2 4.19Å; F397-Y409 HydrophobicContact CB-CD2 4.28Å; F397-Y409 HydrophobicContact CB-CG 4.41Å; F397-Y409 AromaticContact CD2-CD2 3.96Å; F397-Y409 HydrophobicContact CD2-CD2 3.96Å; F397-Y409 HydrophobicContact CE2-CD2 4.45Å; F397-Y409 HydrophobicContact CG-CD2 4.04Å; F397-Y409 HydrophobicContact CG-CG 4.43Å; F398-Y409 HydrophobicContact CE2-CD2 4.38Å; F398-Y409 HydrophobicContact CE2-CG 4.38Å; F398-Y409 AromaticContact CZ-CD1 3.85Å; F398-Y409 HydrophobicContact CZ-CD1 3.85Å; F398-Y409 HydrophobicContact CZ-CD2 4.31Å; F398-Y409 HydrophobicContact CZ-CE1 4.29Å; F398-Y409 AromaticContact CZ-CG 3.87Å; F398-Y409 HydrophobicContact CZ-CG 3.87Å; T405-Y409 PolarHBondContact O-N 2.68Å; P406-Y409 WeakPolarHBondContact O-CB 3.47Å; P406-Y409 PolarHBondContact O-N 3.15Å; Y409-K411 VanDerWaalsContact C-N 3.3Å; Y409-K411 PolarHBondContact O-N 3.19Å; Y409-I412 PolarHBondContact O-N 2.69Å; Y409-R413 HydrophobicContact CE1-CB 4.3Å; Y409-R413 WeakPolarHBondContact O-CB 2.99Å; Y409-R413 PolarHBondContact O-N 3.29Å; Y409-I449 HydrophobicContact CD2-CD1 3.9Å; Y409-I449 HydrophobicContact CD2-CG1 4.23Å; Y409-I449 HydrophobicContact CE2-CD1 4.11Å; Y409-I449 HydrophobicContact CE2-CG1 3.93Å
410	L	89	Confident	84.6	Confident	38 Å²	38	55.3 Å²	55.3	20%	0.199	29%	0.29	C	S	.	.	H	α-helix	trans	-51.9	-46.8	176.2	-76	170	0	0	0	111.9	I386 P406 I412 R413 N414	I386-L410 HydrophobicContact CD1-CD1 3.96Å; I386-L410 HydrophobicContact CD1-CD2 4.14Å; I386-L410 HydrophobicContact CD1-CG 3.76Å; I386-L410 HydrophobicContact CG1-CD1 4.12Å; I386-L410 HydrophobicContact CG1-CD2 3.62Å; I386-L410 HydrophobicContact CG1-CG 3.83Å; P406-L410 PolarHBondContact O-N 2.83Å; L410-I412 VanDerWaalsContact C-N 3.28Å; L410-I412 PolarHBondContact O-N 2.86Å; L410-R413 PolarHBondContact O-N 3.24Å; L410-N414 VanDerWaalsContact O-CB 3.27Å; L410-N414 WeakPolarHBondContact O-CB 3.43Å; L410-N414 PolarHBondContact O-N 3.05Å; L410-N414 PolarHBondContact O-OD1 2.91Å
411	K	88.3	Confident	85.6	Confident	139 Å²	139	56.7 Å²	56.7	60%	0.604	28%	0.276	S	S	*	.	H	α-helix	trans	-61.9	-31.5	178.1	-174.7	166.6	-176.1	167.5	0	113.8	E407 Y409 Y415	E407-K411 WeakPolarHBondContact O-CB 3.13Å; E407-K411 PolarHBondContact O-N 3.39Å; Y409-K411 VanDerWaalsContact C-N 3.3Å; Y409-K411 PolarHBondContact O-N 3.19Å; K411-Y415 VanDerWaalsContact O-CB 3.31Å; K411-Y415 WeakPolarHBondContact O-CB 3.38Å
412	I	90.3	Very high	86.4	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-78.4	-48.4	174.4	-67.2	164.2	0	0	0	110.5	F397 R408 Y409 L410 Y415 I416 L437 C440 I446 I449	F397-I412 HydrophobicContact CE1-CD1 4.03Å; F397-I412 HydrophobicContact CZ-CD1 4.01Å; R408-I412 HydrophobicContact CG-CD1 4.47Å; R408-I412 WeakPolarHBondContact O-CD1 3.18Å; R408-I412 WeakPolarHBondContact O-CG1 3.43Å; R408-I412 PolarHBondContact O-N 3.37Å; Y409-I412 PolarHBondContact O-N 2.69Å; L410-I412 VanDerWaalsContact C-N 3.28Å; L410-I412 PolarHBondContact O-N 2.86Å; I412-Y415 PolarHBondContact O-N 3.49Å; I412-I416 HydrophobicContact CG2-CD1 3.73Å; I412-I416 WeakPolarHBondContact O-CD1 3.07Å; I412-I416 WeakPolarHBondContact O-CG1 2.98Å; I412-I416 PolarHBondContact O-N 3.25Å; I412-L437 HydrophobicContact CB-CD1 4.41Å; I412-L437 HydrophobicContact CG1-CD1 4.37Å; I412-L437 HydrophobicContact CG1-CD2 4.26Å; I412-L437 HydrophobicContact CG2-CD1 3.82Å; I412-C440 HydrophobicContact CG1-CB 4.05Å; I412-I446 HydrophobicContact CD1-CG1 4.21Å; I412-I446 HydrophobicContact CG2-CG1 4.27Å; I412-I446 HydrophobicContact CG2-CG2 4.49Å; I412-I449 HydrophobicContact CB-CD1 3.9Å; I412-I449 HydrophobicContact CD1-CD1 4.08Å; I412-I449 HydrophobicContact CG2-CB 4.2Å; I412-I449 HydrophobicContact CG2-CD1 3.49Å; I412-I449 VanDerWaalsContact CG2-CD1 3.49Å; I412-I449 HydrophobicContact CG2-CG1 4.43Å; I412-I449 HydrophobicContact CG2-CG2 4.14Å
413	R	91	Very high	87.4	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-57.8	-56.2	-178.9	-175.1	-168	69.9	170.3	6.5	111.3	D382 R383 I385 E390 Y409 L410 Y415 I416 L417 I449 L453	D382-R413 PolarHBondContact O-NH2 3.07Å; R383-R413 PolarHBondContact O-NH2 3.42Å; I385-R413 PolarHBondContact O-NH1 3.17Å; I385-R413 PolarHBondContact O-NH2 3.29Å; I385-R413 VanDerWaalsContact O-NH2 3.11Å; E390-R413 WeakPolarHBondContact OE1-CD 3.48Å; E390-R413 IonicContact OE1-CZ 2.67Å; E390-R413 IonicContact OE1-NE 3.59Å; E390-R413 IonicContact OE1-NH1 3.14Å; E390-R413 PolarHBondContact OE1-NH1 3.34Å; E390-R413 IonicContact OE2-NH1 3.65Å; E390-R413 PolarHBondContact OE2-NH1 2.72Å; Y409-R413 HydrophobicContact CE1-CB 4.3Å; Y409-R413 WeakPolarHBondContact O-CB 2.99Å; Y409-R413 PolarHBondContact O-N 3.29Å; L410-R413 PolarHBondContact O-N 3.24Å; R413-Y415 VanDerWaalsContact C-N 3.31Å; R413-Y415 PolarHBondContact O-N 3.35Å; R413-I416 WeakPolarHBondContact O-CB 3.28Å; R413-I416 PolarHBondContact O-N 3.07Å; R413-L417 HydrophobicContact CG-CD1 4.26Å; R413-L417 PolarHBondContact O-N 2.98Å; R413-I449 HydrophobicContact CB-CG2 4.37Å; R413-L453 HydrophobicContact CG-CD1 4.12Å; R413-L453 HydrophobicContact CG-CD2 4.1Å
414	N	91.4	Very high	87.9	Confident	32 Å²	32	51.7 Å²	51.7	17%	0.171	25%	0.25	C	C	.	.	H	α-helix	trans	-63.3	-39.2	-175.6	-62.3	3.6	0	0	0	111.1	R383 L410 I416 L417 D418	R383-N414 PolarHBondContact O-ND2 3.44Å; R383-N414 PolarHBondContact O-OD1 2.95Å; L410-N414 VanDerWaalsContact O-CB 3.27Å; L410-N414 WeakPolarHBondContact O-CB 3.43Å; L410-N414 PolarHBondContact O-N 3.05Å; L410-N414 PolarHBondContact O-OD1 2.91Å; N414-I416 VanDerWaalsContact C-N 3.33Å; N414-I416 PolarHBondContact O-N 3.34Å; N414-L417 CarbonylContact O-C 3.49Å; N414-L417 WeakPolarHBondContact O-CB 3.39Å; N414-L417 PolarHBondContact O-N 3.42Å; N414-D418 PolarHBondContact O-N 3.14Å
415	Y	91.4	Very high	87.7	Confident	64 Å²	64	54.9 Å²	54.9	25%	0.251	28%	0.275	S	S	.	.	H	α-helix	trans	-65.4	-33.6	174.7	-177.8	-95.7	0	0	0	112.9	K411 I412 R413 Q419 V433 L437	K411-Y415 VanDerWaalsContact O-CB 3.31Å; K411-Y415 WeakPolarHBondContact O-CB 3.38Å; I412-Y415 PolarHBondContact O-N 3.49Å; R413-Y415 VanDerWaalsContact C-N 3.31Å; R413-Y415 PolarHBondContact O-N 3.35Å; Y415-Q419 HydrophobicContact CD1-CG 4.14Å; Y415-Q419 HydrophobicContact CE1-CG 3.6Å; Y415-Q419 HydrophobicContact CE2-CG 4.15Å; Y415-Q419 VanDerWaalsContact O-CG 3.27Å; Y415-Q419 WeakPolarHBondContact O-CG 3.44Å; Y415-Q419 PolarHBondContact O-N 3.25Å; Y415-Q419 PolarHBondContact OH-OE1 2.92Å; Y415-V433 HydrophobicContact CD1-CG1 3.65Å; Y415-V433 HydrophobicContact CE1-CG1 3.64Å; Y415-L437 HydrophobicContact CD1-CD1 4.04Å; Y415-L437 HydrophobicContact CD1-CD2 3.6Å; Y415-L437 HydrophobicContact CD1-CG 3.5Å; Y415-L437 HydrophobicContact CE1-CD2 4.42Å; Y415-L437 HydrophobicContact CE1-CG 3.98Å; Y415-L437 HydrophobicContact CG-CD2 3.87Å; Y415-L437 HydrophobicContact CG-CG 4.29Å
416	I	91.5	Very high	87.6	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-65	-43.2	172.4	-70.5	159	0	0	0	110.3	I412 R413 N414 Q419 W420 L428 V433 I449 H450 L453 I459	I412-I416 HydrophobicContact CG2-CD1 3.73Å; I412-I416 WeakPolarHBondContact O-CD1 3.07Å; I412-I416 WeakPolarHBondContact O-CG1 2.98Å; I412-I416 PolarHBondContact O-N 3.25Å; R413-I416 WeakPolarHBondContact O-CB 3.28Å; R413-I416 PolarHBondContact O-N 3.07Å; N414-I416 VanDerWaalsContact C-N 3.33Å; N414-I416 PolarHBondContact O-N 3.34Å; I416-Q419 PolarHBondContact O-N 3.47Å; I416-W420 PolarHBondContact O-N 2.97Å; I416-L428 HydrophobicContact CG2-CD2 4.16Å; I416-L428 WeakPolarHBondContact O-CD2 3.31Å; I416-V433 HydrophobicContact CG1-CG1 3.67Å; I416-V433 HydrophobicContact CG1-CG2 4.48Å; I416-I449 HydrophobicContact CD1-CB 4.19Å; I416-I449 HydrophobicContact CD1-CG2 3.74Å; I416-H450 HydrophobicContact CD1-CB 4.33Å; I416-L453 HydrophobicContact CB-CD1 3.89Å; I416-L453 HydrophobicContact CD1-CD1 4.24Å; I416-L453 HydrophobicContact CG2-CD1 3.58Å; I416-I459 HydrophobicContact CG2-CD1 3.68Å; I416-I459 HydrophobicContact CG2-CG2 4.01Å
417	L	89.3	Confident	87.7	Confident	12 Å²	12	61.4 Å²	61.4	6%	0.063	29%	0.294	C	S	.	.	H	α-helix	trans	-63.3	-45	175.3	-63.1	168.5	0	0	0	111.5	I381 R413 N414 Q419 W420 E421 L453 A458 I459	I381-L417 HydrophobicContact CB-CD1 4.26Å; R413-L417 HydrophobicContact CG-CD1 4.26Å; R413-L417 PolarHBondContact O-N 2.98Å; N414-L417 CarbonylContact O-C 3.49Å; N414-L417 WeakPolarHBondContact O-CB 3.39Å; N414-L417 PolarHBondContact O-N 3.42Å; L417-Q419 VanDerWaalsContact C-N 3.28Å; L417-Q419 PolarHBondContact O-N 3.29Å; L417-W420 WeakPolarHBondContact O-CA 3.33Å; L417-W420 WeakPolarHBondContact O-CB 3.35Å; L417-W420 PolarHBondContact O-N 3.03Å; L417-E421 PolarHBondContact O-N 2.88Å; L417-L453 HydrophobicContact CD2-CD2 4.43Å; L417-A458 HydrophobicContact CD2-CB 4.29Å; L417-A458 WeakPolarHBondContact CD2-O 3.5Å; L417-I459 HydrophobicContact CD2-CG2 3.95Å
418	D	90.4	Very high	87.9	Confident	60 Å²	60	55.6 Å²	55.6	32%	0.321	27%	0.267	S	S	.	.	H	α-helix	trans	-59.5	-36.9	175.3	-67.7	-36.3	0	0	0	112.4	R383 N414 I422	R383-D418 IonicContact CZ-OD1 3.85Å; R383-D418 IonicContact NH1-OD1 2.75Å; R383-D418 PolarHBondContact NH1-OD1 3.23Å; N414-D418 PolarHBondContact O-N 3.14Å; D418-I422 WeakPolarHBondContact O-CD1 3.36Å; D418-I422 VanDerWaalsContact O-CG1 3.27Å; D418-I422 WeakPolarHBondContact O-CG1 3.42Å; D418-I422 PolarHBondContact O-N 3.23Å
419	Q	88.4	Confident	88	Confident	40 Å²	40	55.5 Å²	55.5	19%	0.187	27%	0.273	C	S	.	.	H	α-helix	trans	-74.5	-24.6	173.7	-65.6	-60	-92.8	0	0	113	Y415 I416 L417 C423 L428	Y415-Q419 HydrophobicContact CD1-CG 4.14Å; Y415-Q419 HydrophobicContact CE1-CG 3.6Å; Y415-Q419 HydrophobicContact CE2-CG 4.15Å; Y415-Q419 VanDerWaalsContact O-CG 3.27Å; Y415-Q419 WeakPolarHBondContact O-CG 3.44Å; Y415-Q419 PolarHBondContact O-N 3.25Å; Y415-Q419 PolarHBondContact OH-OE1 2.92Å; I416-Q419 PolarHBondContact O-N 3.47Å; L417-Q419 VanDerWaalsContact C-N 3.28Å; L417-Q419 PolarHBondContact O-N 3.29Å; Q419-C423 VanDerWaalsContact O-CB 3.28Å; Q419-C423 WeakPolarHBondContact O-CB 3.43Å; Q419-C423 PolarHBondContact O-N 3.34Å; Q419-C423 PolarHBondContact O-SG 3.42Å; Q419-C423 VanDerWaalsContact O-SG 3.4Å; Q419-L428 HydrophobicContact CB-CD1 3.79Å; Q419-L428 HydrophobicContact CB-CD2 3.99Å
420	W	89.4	Confident	87.9	Confident	3 Å²	3	59 Å²	59	1%	0.011	29%	0.288	C	S	.	.	H	α-helix	trans	-69.6	-51.2	172.2	174	-126.3	0	0	0	110.4	E378 I416 L417 I422 C423 K424 L428 I459 N460	E378-W420 PolarHBondContact OE1-NE1 2.97Å; I416-W420 PolarHBondContact O-N 2.97Å; L417-W420 WeakPolarHBondContact O-CA 3.33Å; L417-W420 WeakPolarHBondContact O-CB 3.35Å; L417-W420 PolarHBondContact O-N 3.03Å; W420-I422 PolarHBondContact O-N 2.95Å; W420-I422 VanDerWaalsContact O-N 3.15Å; W420-C423 PolarHBondContact O-N 3.07Å; W420-K424 HydrophobicContact CD2-CB 4.2Å; W420-K424 HydrophobicContact CE3-CB 4.22Å; W420-K424 HydrophobicContact CH2-CB 4.17Å; W420-K424 HydrophobicContact CH2-CG 3.99Å; W420-K424 HydrophobicContact CZ2-CB 4.15Å; W420-K424 HydrophobicContact CZ2-CD 3.88Å; W420-K424 HydrophobicContact CZ2-CG 3.74Å; W420-K424 HydrophobicContact CZ3-CB 4.21Å; W420-K424 VanDerWaalsContact O-CB 3.27Å; W420-K424 WeakPolarHBondContact O-CB 3.44Å; W420-K424 PolarHBondContact O-N 3.33Å; W420-L428 HydrophobicContact CB-CD2 4.12Å; W420-L428 HydrophobicContact CE3-CB 4.14Å; W420-I459 HydrophobicContact CB-CB 4.1Å; W420-I459 HydrophobicContact CB-CG2 3.61Å; W420-I459 HydrophobicContact CD2-CB 4.21Å; W420-I459 HydrophobicContact CG-CB 3.92Å; W420-I459 HydrophobicContact CG-CG2 3.83Å; W420-N460 VanDerWaalsContact CH2-CA 3.44Å; W420-N460 WeakPolarHBondContact CZ3-OD1 3.44Å
421	E	87.6	Confident	87.7	Confident	102 Å²	102	61.3 Å²	61.3	48%	0.477	30%	0.304	S	S	.	.	H	α-helix	trans	-52.9	-38.5	176.6	-63.1	-64.4	178	0	0	112.9	R383 L417	R383-E421 IonicContact NH2-OE1 3.25Å; L417-E421 PolarHBondContact O-N 2.88Å
422	I	88	Confident	87.6	Confident	127 Å²	127	57.5 Å²	57.5	65%	0.651	30%	0.295	S	S	*	.	H	α-helix	trans	-77.1	-26.7	180	-67.3	168	0	0	0	112.7	D418 W420	D418-I422 WeakPolarHBondContact O-CD1 3.36Å; D418-I422 VanDerWaalsContact O-CG1 3.27Å; D418-I422 WeakPolarHBondContact O-CG1 3.42Å; D418-I422 PolarHBondContact O-N 3.23Å; W420-I422 PolarHBondContact O-N 2.95Å; W420-I422 VanDerWaalsContact O-N 3.15Å
423	C	83.7	Confident	87.4	Confident	45 Å²	45	57.6 Å²	57.6	30%	0.304	30%	0.295	S	S	.	.	H	α-helix	trans	-100.5	-26.9	-175.3	-75	0	0	0	0	114.5	Q419 W420 K426 L428	Q419-C423 VanDerWaalsContact O-CB 3.28Å; Q419-C423 WeakPolarHBondContact O-CB 3.43Å; Q419-C423 PolarHBondContact O-N 3.34Å; Q419-C423 PolarHBondContact O-SG 3.42Å; Q419-C423 VanDerWaalsContact O-SG 3.4Å; W420-C423 PolarHBondContact O-N 3.07Å; C423-K426 WeakPolarHBondContact O-CA 3.22Å; C423-K426 VanDerWaalsContact O-CB 3.25Å; C423-K426 WeakPolarHBondContact O-CB 3.32Å; C423-K426 PolarHBondContact O-N 3.33Å; C423-L428 HydrophobicContact CB-CD1 4.47Å
424	K	83.3	Confident	87.1	Confident	84 Å²	84	61.7 Å²	61.7	37%	0.365	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	135.3	-177.9	-177.7	177.1	179.6	174.7	0	111.7	E378 W420	E378-K424 WeakPolarHBondContact OE1-CE 3.44Å; E378-K424 IonicContact OE1-NZ 3.29Å; E378-K424 PolarHBondContact OE1-NZ 3.2Å; E378-K424 WeakPolarHBondContact OE2-CE 3.2Å; E378-K424 IonicContact OE2-NZ 2.73Å; E378-K424 PolarHBondContact OE2-NZ 2.83Å; W420-K424 HydrophobicContact CD2-CB 4.2Å; W420-K424 HydrophobicContact CE3-CB 4.22Å; W420-K424 HydrophobicContact CH2-CB 4.17Å; W420-K424 HydrophobicContact CH2-CG 3.99Å; W420-K424 HydrophobicContact CZ2-CB 4.15Å; W420-K424 HydrophobicContact CZ2-CD 3.88Å; W420-K424 HydrophobicContact CZ2-CG 3.74Å; W420-K424 HydrophobicContact CZ3-CB 4.21Å; W420-K424 VanDerWaalsContact O-CB 3.27Å; W420-K424 WeakPolarHBondContact O-CB 3.44Å; W420-K424 PolarHBondContact O-N 3.33Å
425	P	77.3	Confident	86.7	Confident	113 Å²	113	64 Å²	64	73%	0.734	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	cis	-87.8	18.4	6.1	37	-37.8	0	0	0	114.8	C463	P425-C463 PolarHBondContact O-SG 2.95Å; P425-C463 VanDerWaalsContact O-SG 3.41Å
426	K	83.3	Confident	86.2	Confident	164 Å²	164	62.8 Å²	62.8	71%	0.713	34%	0.335	S	S	*	.	S	Bend	trans	-86.5	132.2	-180	-57	174.3	-177.5	170.4	0	111	C423 L428	C423-K426 WeakPolarHBondContact O-CA 3.22Å; C423-K426 VanDerWaalsContact O-CB 3.25Å; C423-K426 WeakPolarHBondContact O-CB 3.32Å; C423-K426 PolarHBondContact O-N 3.33Å; K426-L428 PolarHBondContact O-N 3.24Å; K426-L428 VanDerWaalsContact O-N 3.14Å
427	Y	88.1	Confident	85.9	Confident	59 Å²	59	63.2 Å²	63.2	23%	0.231	34%	0.337	C	S	.	.			trans	-51.7	113.3	-179.4	-177.2	-103.6	0	0	0	113.7	N429 E454 N460 C463 Q465 A466	Y427-N429 PolarHBondContact O-N 3Å; Y427-N429 VanDerWaalsContact O-N 3.16Å; Y427-N429 PolarHBondContact O-ND2 2.86Å; Y427-E454 WeakPolarHBondContact CE2-OE1 3.2Å; Y427-E454 PolarHBondContact OH-OE1 2.94Å; Y427-N460 HydrophobicContact CD2-CB 3.73Å; Y427-N460 VanDerWaalsContact CD2-CG 3.41Å; Y427-N460 WeakPolarHBondContact CD2-ND2 3.14Å; Y427-N460 HydrophobicContact CE2-CB 3.86Å; Y427-N460 WeakPolarHBondContact CE2-ND2 3.37Å; Y427-C463 HydrophobicContact CD2-CB 3.86Å; Y427-C463 HydrophobicContact CG-CB 4.48Å; Y427-Q465 HydrophobicContact CD1-CB 4.12Å; Y427-Q465 HydrophobicContact CD2-CB 3.88Å; Y427-Q465 HydrophobicContact CE1-CB 4.27Å; Y427-Q465 HydrophobicContact CE2-CB 4.05Å; Y427-Q465 HydrophobicContact CG-CB 3.91Å; Y427-A466 HydrophobicContact CE2-CB 4.32Å
428	L	88.9	Confident	85.2	Confident	1 Å²	1	70 Å²	70	1%	0.005	37%	0.366	C	S	.	.			trans	-74.1	101.4	176.2	-178.7	68.6	0	0	0	110.1	I416 Q419 W420 C423 K426 V433 H450 N460	I416-L428 HydrophobicContact CG2-CD2 4.16Å; I416-L428 WeakPolarHBondContact O-CD2 3.31Å; Q419-L428 HydrophobicContact CB-CD1 3.79Å; Q419-L428 HydrophobicContact CB-CD2 3.99Å; W420-L428 HydrophobicContact CB-CD2 4.12Å; W420-L428 HydrophobicContact CE3-CB 4.14Å; C423-L428 HydrophobicContact CB-CD1 4.47Å; K426-L428 PolarHBondContact O-N 3.24Å; K426-L428 VanDerWaalsContact O-N 3.14Å; L428-V433 HydrophobicContact CD1-CG2 3.9Å; L428-V433 HydrophobicContact CD2-CG2 3.92Å; L428-V433 HydrophobicContact CG-CG2 3.92Å; L428-H450 PolarHBondContact O-NE2 3.49Å; L428-H450 VanDerWaalsContact O-NE2 3.09Å; L428-N460 WeakPolarHBondContact CA-OD1 3.48Å; L428-N460 WeakPolarHBondContact CB-OD1 3.31Å; L428-N460 PolarHBondContact N-OD1 3.36Å; L428-N460 PolarHBondContact O-ND2 3.45Å
429	N	88.7	Confident	84.5	Confident	82 Å²	82	74.6 Å²	74.6	44%	0.439	39%	0.39	S	S	.	.			trans	-70.3	134.6	175	-81	-94.8	0	0	0	111.4	Y427 T431 S432	Y427-N429 PolarHBondContact O-N 3Å; Y427-N429 VanDerWaalsContact O-N 3.16Å; Y427-N429 PolarHBondContact O-ND2 2.86Å; N429-T431 PolarHBondContact O-N 2.91Å; N429-S432 PolarHBondContact O-N 2.96Å; N429-S432 PolarHBondContact O-OG 3.05Å
430	K	87.8	Confident	83.6	Confident	73 Å²	73	73.3 Å²	73.3	32%	0.317	39%	0.386	S	S	.	.	H	α-helix	trans	-45.2	-24.4	162.3	177.9	172.7	165.6	175.2	0	114.2	R434	K430-R434 WeakPolarHBondContact O-CG 3.11Å; K430-R434 PolarHBondContact O-NE 2.9Å
431	T	84.5	Confident	82.5	Confident	87 Å²	87	75 Å²	75	53%	0.534	40%	0.404	S	S	.	.	H	α-helix	trans	-73.8	-39.9	175.2	-55.3	0	0	0	0	113.9	N429 R434 P435	N429-T431 PolarHBondContact O-N 2.91Å; T431-R434 PolarHBondContact OG1-NH2 3.19Å; T431-P435 WeakPolarHBondContact O-CD 3.48Å
432	S	85.1	Confident	82	Confident	60 Å²	60	74.1 Å²	74.1	42%	0.42	40%	0.403	S	S	.	.	H	α-helix	trans	-76.4	-25.1	-176.7	49.2	0	0	0	0	113.5	N429 P435	N429-S432 PolarHBondContact O-N 2.96Å; N429-S432 PolarHBondContact O-OG 3.05Å; S432-P435 WeakPolarHBondContact O-CD 3.46Å
433	V	87.2	Confident	81.5	Confident	1 Å²	1	71.3 Å²	71.3	1%	0.006	39%	0.391	C	S	.	.	H	α-helix	trans	-70.5	-35	174.8	-172.9	0	0	0	0	112.3	Y415 I416 L428 G436 L437	Y415-V433 HydrophobicContact CD1-CG1 3.65Å; Y415-V433 HydrophobicContact CE1-CG1 3.64Å; I416-V433 HydrophobicContact CG1-CG1 3.67Å; I416-V433 HydrophobicContact CG1-CG2 4.48Å; L428-V433 HydrophobicContact CD1-CG2 3.9Å; L428-V433 HydrophobicContact CD2-CG2 3.92Å; L428-V433 HydrophobicContact CG-CG2 3.92Å; V433-G436 PolarHBondContact O-N 3.16Å; V433-L437 HydrophobicContact CG1-CD1 3.62Å; V433-L437 HydrophobicContact CG1-CG 4.17Å; V433-L437 PolarHBondContact O-N 3.48Å
434	R	83.1	Confident	81.5	Confident	87 Å²	87	73.9 Å²	73.9	33%	0.328	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-38.5	-170	-81.2	-179.4	-76.4	-174.5	0.3	115.7	K430 T431 G436 L437	K430-R434 WeakPolarHBondContact O-CG 3.11Å; K430-R434 PolarHBondContact O-NE 2.9Å; T431-R434 PolarHBondContact OG1-NH2 3.19Å; R434-G436 VanDerWaalsContact C-N 3.29Å; R434-G436 PolarHBondContact O-N 3.32Å; R434-L437 PolarHBondContact O-N 2.98Å
435	P	83.6	Confident	81.6	Confident	80 Å²	80	70 Å²	70	52%	0.519	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-25.3	177.7	-26.6	36.7	0	0	0	115.6	T431 S432 K438	T431-P435 WeakPolarHBondContact O-CD 3.48Å; S432-P435 WeakPolarHBondContact O-CD 3.46Å; P435-K438 WeakPolarHBondContact O-CD 3.37Å; P435-K438 WeakPolarHBondContact O-CE 3.46Å; P435-K438 WeakPolarHBondContact O-CG 3.35Å
436	G	80.9	Confident	82.1	Confident	39 Å²	39	65 Å²	65	40%	0.402	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-37.6	176.1	0	0	0	0	0	113.2	V433 R434 K438	V433-G436 PolarHBondContact O-N 3.16Å; R434-G436 VanDerWaalsContact C-N 3.29Å; R434-G436 PolarHBondContact O-N 3.32Å; G436-K438 PolarHBondContact O-N 3.3Å
437	L	85	Confident	82.3	Confident	8 Å²	8	57.2 Å²	57.2	4%	0.042	32%	0.319	C	S	.	.			trans	-78.3	34.8	-178.8	-69.3	177.8	0	0	0	114.7	I412 Y415 V433 R434 N439 C440 I446	I412-L437 HydrophobicContact CB-CD1 4.41Å; I412-L437 HydrophobicContact CG1-CD1 4.37Å; I412-L437 HydrophobicContact CG1-CD2 4.26Å; I412-L437 HydrophobicContact CG2-CD1 3.82Å; Y415-L437 HydrophobicContact CD1-CD1 4.04Å; Y415-L437 HydrophobicContact CD1-CD2 3.6Å; Y415-L437 HydrophobicContact CD1-CG 3.5Å; Y415-L437 HydrophobicContact CE1-CD2 4.42Å; Y415-L437 HydrophobicContact CE1-CG 3.98Å; Y415-L437 HydrophobicContact CG-CD2 3.87Å; Y415-L437 HydrophobicContact CG-CG 4.29Å; V433-L437 HydrophobicContact CG1-CD1 3.62Å; V433-L437 HydrophobicContact CG1-CG 4.17Å; V433-L437 PolarHBondContact O-N 3.48Å; R434-L437 PolarHBondContact O-N 2.98Å; L437-N439 PolarHBondContact O-N 2.94Å; L437-C440 HydrophobicContact CB-CB 4.11Å; L437-C440 HydrophobicContact CD2-CB 4.02Å; L437-C440 WeakPolarHBondContact O-CB 3.32Å; L437-C440 PolarHBondContact O-N 3.16Å; L437-C440 VanDerWaalsContact O-N 3.15Å; L437-I446 HydrophobicContact CB-CD1 3.86Å; L437-I446 HydrophobicContact CD1-CD1 4.09Å; L437-I446 HydrophobicContact CD1-CG1 4.1Å; L437-I446 HydrophobicContact CD1-CG2 3.69Å
438	K	74.4	Confident	82.3	Confident	154 Å²	154	60.2 Å²	60.2	67%	0.67	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	136.7	172.3	-73.2	164.4	-178.8	162.6	0	110	P435 G436 C440	P435-K438 WeakPolarHBondContact O-CD 3.37Å; P435-K438 WeakPolarHBondContact O-CE 3.46Å; P435-K438 WeakPolarHBondContact O-CG 3.35Å; G436-K438 PolarHBondContact O-N 3.3Å; K438-C440 PolarHBondContact O-N 2.84Å; K438-C440 PolarHBondContact O-SG 3.31Å
439	N	75.4	Confident	82.3	Confident	158 Å²	158	60.2 Å²	60.2	85%	0.845	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	6.3	-177.4	-54.8	-22.9	0	0	0	115.9	R408 L437	R408-N439 PolarHBondContact NH1-O 3.31Å; L437-N439 PolarHBondContact O-N 2.94Å
440	C	69.8	Low	82.4	Confident	13 Å²	13	56.5 Å²	56.5	9%	0.088	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-29.1	-174.6	-66.2	0	0	0	0	113.7	R408 I412 L437 K438	R408-C440 VanDerWaalsContact CD-O 3.23Å; R408-C440 WeakPolarHBondContact CD-O 3.45Å; R408-C440 WeakPolarHBondContact CG-O 3.49Å; R408-C440 VanDerWaalsContact NH1-C 3.27Å; R408-C440 PolarHBondContact NH1-O 3.04Å; I412-C440 HydrophobicContact CG1-CB 4.05Å; L437-C440 HydrophobicContact CB-CB 4.11Å; L437-C440 HydrophobicContact CD2-CB 4.02Å; L437-C440 WeakPolarHBondContact O-CB 3.32Å; L437-C440 PolarHBondContact O-N 3.16Å; L437-C440 VanDerWaalsContact O-N 3.15Å; K438-C440 PolarHBondContact O-N 2.84Å; K438-C440 PolarHBondContact O-SG 3.31Å
441	G	66.8	Low	82.5	Confident	39 Å²	39	55.7 Å²	55.7	40%	0.402	31%	0.311	S	S	.	.			trans	-176.5	-174.9	174.2	0	0	0	0	0	114
442	D	77.3	Confident	82.7	Confident	82 Å²	82	52.8 Å²	52.8	44%	0.439	29%	0.291	S	S	.	.			trans	-76.5	148.4	166.8	170.6	44.9	0	0	0	110.8	N444 C445 I446	D442-N444 PolarHBondContact O-N 2.97Å; D442-N444 PolarHBondContact OD1-ND2 2.95Å; D442-N444 VanDerWaalsContact OD2-CB 3.32Å; D442-N444 WeakPolarHBondContact OD2-CB 3.16Å; D442-N444 PolarHBondContact OD2-N 2.98Å; D442-N444 PolarHBondContact OD2-ND2 3.06Å; D442-C445 WeakPolarHBondContact O-CB 3.24Å; D442-C445 PolarHBondContact O-N 3.34Å; D442-I446 PolarHBondContact O-N 3.14Å; D442-I446 VanDerWaalsContact O-N 3.12Å
443	V	78.4	Confident	82.8	Confident	68 Å²	68	50 Å²	50	41%	0.412	27%	0.271	S	S	.	.	H	α-helix	trans	-57.7	-31.4	-177.7	173.6	0	0	0	0	111.9	G447	V443-G447 PolarHBondContact O-N 3.27Å; V443-G447 VanDerWaalsContact O-N 3.07Å
444	N	83.2	Confident	82.8	Confident	99 Å²	99	50.6 Å²	50.6	53%	0.529	27%	0.273	S	S	.	.	H	α-helix	trans	-77.5	-21.2	177.3	-51	-64.2	0	0	0	113.3	D442 R448	D442-N444 PolarHBondContact O-N 2.97Å; D442-N444 PolarHBondContact OD1-ND2 2.95Å; D442-N444 VanDerWaalsContact OD2-CB 3.32Å; D442-N444 WeakPolarHBondContact OD2-CB 3.16Å; D442-N444 PolarHBondContact OD2-N 2.98Å; D442-N444 PolarHBondContact OD2-ND2 3.06Å; N444-R448 PolarHBondContact O-N 3.09Å; N444-R448 PolarHBondContact O-NE 3.22Å
445	C	84.3	Confident	82.9	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.02	27%	0.267	C	S	.	.	H	α-helix	trans	-83.8	-49.8	178.5	-51.3	0	0	0	0	110	E396 F397 K404 D442 G447 R448 I449	E396-C445 PolarHBondContact OE1-SG 2.97Å; E396-C445 VanDerWaalsContact OE1-SG 3.37Å; F397-C445 HydrophobicContact CE2-CB 4.21Å; F397-C445 HydrophobicContact CZ-CB 4Å; K404-C445 WeakPolarHBondContact CE-SG 3.28Å; K404-C445 PolarHBondContact NZ-SG 3.1Å; D442-C445 WeakPolarHBondContact O-CB 3.24Å; D442-C445 PolarHBondContact O-N 3.34Å; C445-G447 PolarHBondContact O-N 3.03Å; C445-R448 PolarHBondContact O-N 2.82Å; C445-I449 PolarHBondContact O-N 3.3Å; C445-I449 VanDerWaalsContact O-N 3.12Å
446	I	87.7	Confident	82.9	Confident	7 Å²	7	46.5 Å²	46.5	4%	0.036	25%	0.253	C	S	.	.	H	α-helix	trans	-53.5	-38	169.5	-61.8	168.2	0	0	0	110	I412 L437 D442 I449 H450	I412-I446 HydrophobicContact CD1-CG1 4.21Å; I412-I446 HydrophobicContact CG2-CG1 4.27Å; I412-I446 HydrophobicContact CG2-CG2 4.49Å; L437-I446 HydrophobicContact CB-CD1 3.86Å; L437-I446 HydrophobicContact CD1-CD1 4.09Å; L437-I446 HydrophobicContact CD1-CG1 4.1Å; L437-I446 HydrophobicContact CD1-CG2 3.69Å; D442-I446 PolarHBondContact O-N 3.14Å; D442-I446 VanDerWaalsContact O-N 3.12Å; I446-I449 PolarHBondContact O-N 3.35Å; I446-H450 WeakPolarHBondContact O-CB 3.48Å; I446-H450 PolarHBondContact O-N 2.97Å
447	G	88.9	Confident	82.9	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-62.5	-42.1	175.8	0	0	0	0	0	115.6	V443 C445 T451	V443-G447 PolarHBondContact O-N 3.27Å; V443-G447 VanDerWaalsContact O-N 3.07Å; C445-G447 PolarHBondContact O-N 3.03Å; G447-T451 PolarHBondContact O-N 2.82Å; G447-T451 VanDerWaalsContact O-N 3.1Å; G447-T451 PolarHBondContact O-OG1 2.83Å
448	R	86.8	Confident	82.9	Confident	123 Å²	123	44.4 Å²	44.4	46%	0.464	23%	0.233	S	C	.	.	H	α-helix	trans	-75.1	-29.6	178.8	-82.8	177.8	-73.8	145.9	4	112.5	E396 N444 C445 Y452	E396-R448 VanDerWaalsContact CD-NH1 3.32Å; E396-R448 IonicContact OE1-CZ 2.68Å; E396-R448 IonicContact OE1-NH1 2.69Å; E396-R448 IonicContact OE1-NH2 3.85Å; E396-R448 PolarHBondContact OE1-NH2 3.48Å; E396-R448 VanDerWaalsContact OE1-NH2 3.08Å; E396-R448 IonicContact OE2-CZ 3.2Å; E396-R448 VanDerWaalsContact OE2-CZ 3.22Å; E396-R448 IonicContact OE2-NH1 3.28Å; E396-R448 PolarHBondContact OE2-NH1 3.36Å; E396-R448 IonicContact OE2-NH2 2.69Å; E396-R448 PolarHBondContact OE2-NH2 2.98Å; N444-R448 PolarHBondContact O-N 3.09Å; N444-R448 PolarHBondContact O-NE 3.22Å; C445-R448 PolarHBondContact O-N 2.82Å; R448-Y452 VanDerWaalsContact O-CB 3.27Å; R448-Y452 WeakPolarHBondContact O-CB 3.43Å; R448-Y452 PolarHBondContact O-N 3.35Å
449	I	89.6	Confident	83.4	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-67.7	-46.3	171.7	-60.1	165.4	0	0	0	110.5	I394 F397 Y409 I412 R413 I416 C445 I446 Y452 L453	I394-I449 HydrophobicContact CD1-CB 4.18Å; I394-I449 HydrophobicContact CD1-CG1 3.68Å; I394-I449 HydrophobicContact CG2-CG1 4.36Å; F397-I449 HydrophobicContact CE2-CD1 3.85Å; F397-I449 HydrophobicContact CZ-CD1 3.85Å; Y409-I449 HydrophobicContact CD2-CD1 3.9Å; Y409-I449 HydrophobicContact CD2-CG1 4.23Å; Y409-I449 HydrophobicContact CE2-CD1 4.11Å; Y409-I449 HydrophobicContact CE2-CG1 3.93Å; I412-I449 HydrophobicContact CB-CD1 3.9Å; I412-I449 HydrophobicContact CD1-CD1 4.08Å; I412-I449 HydrophobicContact CG2-CB 4.2Å; I412-I449 HydrophobicContact CG2-CD1 3.49Å; I412-I449 VanDerWaalsContact CG2-CD1 3.49Å; I412-I449 HydrophobicContact CG2-CG1 4.43Å; I412-I449 HydrophobicContact CG2-CG2 4.14Å; R413-I449 HydrophobicContact CB-CG2 4.37Å; I416-I449 HydrophobicContact CD1-CB 4.19Å; I416-I449 HydrophobicContact CD1-CG2 3.74Å; C445-I449 PolarHBondContact O-N 3.3Å; C445-I449 VanDerWaalsContact O-N 3.12Å; I446-I449 PolarHBondContact O-N 3.35Å; I449-Y452 PolarHBondContact O-N 3.26Å; I449-L453 HydrophobicContact CG2-CD1 3.99Å; I449-L453 HydrophobicContact CG2-CG 4.47Å; I449-L453 WeakPolarHBondContact O-CG 3.48Å; I449-L453 PolarHBondContact O-N 2.88Å
450	H	91.3	Very high	83.9	Confident	5 Å²	5	29.5 Å²	29.5	2%	0.023	16%	0.161	C	C	.	.	H	α-helix	trans	-57.5	-52.2	175.3	171	-90.5	0	0	0	112	I416 L428 I446 Y452 L453 E454 I459	I416-H450 HydrophobicContact CD1-CB 4.33Å; L428-H450 PolarHBondContact O-NE2 3.49Å; L428-H450 VanDerWaalsContact O-NE2 3.09Å; I446-H450 WeakPolarHBondContact O-CB 3.48Å; I446-H450 PolarHBondContact O-N 2.97Å; H450-Y452 VanDerWaalsContact C-N 3.33Å; H450-Y452 PolarHBondContact O-N 2.95Å; H450-L453 PolarHBondContact O-N 3.38Å; H450-E454 IonicContact CE1-OE1 2.78Å; H450-E454 PolarHBondContact CE1-OE1 3.46Å; H450-E454 VanDerWaalsContact CE1-OE1 3.3Å; H450-E454 IonicContact CE1-OE2 3.72Å; H450-E454 IonicContact NE2-OE1 2.69Å; H450-E454 WeakPolarHBondContact O-CB 3.38Å; H450-E454 PolarHBondContact O-N 2.85Å; H450-I459 WeakPolarHBondContact CD2-CD1 3.28Å
451	T	88.7	Confident	84.5	Confident	56 Å²	56	31.6 Å²	31.6	34%	0.344	17%	0.169	S	C	.	.	H	α-helix	trans	-63.1	-35.7	178.5	-57.8	0	0	0	0	112.9	G447 E454 L455	G447-T451 PolarHBondContact O-N 2.82Å; G447-T451 VanDerWaalsContact O-N 3.1Å; G447-T451 PolarHBondContact O-OG1 2.83Å; T451-E454 PolarHBondContact O-N 2.91Å; T451-L455 HydrophobicContact CG2-CD1 4.2Å; T451-L455 HydrophobicContact CG2-CG 4.32Å; T451-L455 WeakPolarHBondContact O-CB 3.33Å; T451-L455 VanDerWaalsContact O-CG 3.24Å; T451-L455 WeakPolarHBondContact O-CG 3.42Å; T451-L455 PolarHBondContact O-N 3.34Å
452	Y	89.1	Confident	84.7	Confident	26 Å²	26	33 Å²	33	10%	0.102	18%	0.183	C	C	.	.	H	α-helix	trans	-64.4	-46.5	175.8	167.8	-105.4	0	0	0	112.5	E390 A393 I394 R448 I449 H450 E454 L455 I456	E390-Y452 HydrophobicContact CB-CE1 4.47Å; E390-Y452 HydrophobicContact CG-CE1 3.92Å; E390-Y452 WeakPolarHBondContact CG-OH 3.29Å; A393-Y452 HydrophobicContact CB-CD2 3.54Å; A393-Y452 HydrophobicContact CB-CE2 3.44Å; A393-Y452 VanDerWaalsContact CB-CE2 3.44Å; A393-Y452 HydrophobicContact CB-CG 4.27Å; I394-Y452 HydrophobicContact CD1-CD1 4.01Å; I394-Y452 HydrophobicContact CD1-CG 4.02Å; R448-Y452 VanDerWaalsContact O-CB 3.27Å; R448-Y452 WeakPolarHBondContact O-CB 3.43Å; R448-Y452 PolarHBondContact O-N 3.35Å; I449-Y452 PolarHBondContact O-N 3.26Å; H450-Y452 VanDerWaalsContact C-N 3.33Å; H450-Y452 PolarHBondContact O-N 2.95Å; Y452-E454 PolarHBondContact O-N 2.91Å; Y452-L455 PolarHBondContact O-N 2.92Å; Y452-I456 HydrophobicContact CD1-CD1 4.41Å; Y452-I456 HydrophobicContact CD2-CG2 4.44Å; Y452-I456 HydrophobicContact CE1-CD1 3.79Å; Y452-I456 HydrophobicContact CE2-CD1 4.41Å; Y452-I456 HydrophobicContact CE2-CG2 3.98Å; Y452-I456 WeakPolarHBondContact O-CG1 3.37Å; Y452-I456 PolarHBondContact O-N 3.36Å
453	L	88	Confident	84.7	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63	-32.3	177.6	-68.7	171.1	0	0	0	112.4	I381 R413 I416 L417 I449 H450 I456 G457 A458 I459	I381-L453 HydrophobicContact CD1-CD2 3.48Å; I381-L453 VanDerWaalsContact CD1-CD2 3.48Å; R413-L453 HydrophobicContact CG-CD1 4.12Å; R413-L453 HydrophobicContact CG-CD2 4.1Å; I416-L453 HydrophobicContact CB-CD1 3.89Å; I416-L453 HydrophobicContact CD1-CD1 4.24Å; I416-L453 HydrophobicContact CG2-CD1 3.58Å; L417-L453 HydrophobicContact CD2-CD2 4.43Å; I449-L453 HydrophobicContact CG2-CD1 3.99Å; I449-L453 HydrophobicContact CG2-CG 4.47Å; I449-L453 WeakPolarHBondContact O-CG 3.48Å; I449-L453 PolarHBondContact O-N 2.88Å; H450-L453 PolarHBondContact O-N 3.38Å; L453-I456 HydrophobicContact CD2-CD1 4.38Å; L453-I456 WeakPolarHBondContact O-CG1 3.43Å; L453-G457 PolarHBondContact O-N 2.87Å; L453-A458 HydrophobicContact CD2-CB 4.27Å; L453-A458 PolarHBondContact O-N 2.69Å; L453-I459 HydrophobicContact CB-CD1 3.93Å; L453-I459 HydrophobicContact CB-CG1 3.93Å; L453-I459 HydrophobicContact CB-CG2 4.33Å; L453-I459 PolarHBondContact O-N 3.11Å
454	E	87.6	Confident	84.3	Confident	14 Å²	14	35.2 Å²	35.2	7%	0.065	19%	0.187	C	C	.	.	H	α-helix	trans	-71.8	-44.9	175.5	-177.8	165.7	-95	0	0	111.9	Y427 H450 T451 Y452 I456 G457 I459 N460 Y468	Y427-E454 WeakPolarHBondContact CE2-OE1 3.2Å; Y427-E454 PolarHBondContact OH-OE1 2.94Å; H450-E454 IonicContact CE1-OE1 2.78Å; H450-E454 PolarHBondContact CE1-OE1 3.46Å; H450-E454 VanDerWaalsContact CE1-OE1 3.3Å; H450-E454 IonicContact CE1-OE2 3.72Å; H450-E454 IonicContact NE2-OE1 2.69Å; H450-E454 WeakPolarHBondContact O-CB 3.38Å; H450-E454 PolarHBondContact O-N 2.85Å; T451-E454 PolarHBondContact O-N 2.91Å; Y452-E454 PolarHBondContact O-N 2.91Å; E454-I456 VanDerWaalsContact C-N 3.29Å; E454-I456 PolarHBondContact O-N 3.27Å; E454-G457 PolarHBondContact O-N 3.1Å; E454-G457 VanDerWaalsContact O-N 3.1Å; E454-I459 HydrophobicContact CB-CD1 4.31Å; E454-I459 HydrophobicContact CB-CG1 4.01Å; E454-N460 HydrophobicContact CG-CB 4.38Å; E454-N460 PolarHBondContact OE1-ND2 3.1Å; E454-Y468 WeakPolarHBondContact O-CD1 3.13Å; E454-Y468 VanDerWaalsContact O-CE1 3.31Å; E454-Y468 WeakPolarHBondContact O-CE1 3.48Å
455	L	83.3	Confident	84	Confident	37 Å²	37	35.1 Å²	35.1	19%	0.194	18%	0.184	C	C	.	.	H	α-helix	trans	-59.5	-36.2	177.1	-74.1	172.4	0	0	0	113.1	T451 Y452 Y468 R470	T451-L455 HydrophobicContact CG2-CD1 4.2Å; T451-L455 HydrophobicContact CG2-CG 4.32Å; T451-L455 WeakPolarHBondContact O-CB 3.33Å; T451-L455 VanDerWaalsContact O-CG 3.24Å; T451-L455 WeakPolarHBondContact O-CG 3.42Å; T451-L455 PolarHBondContact O-N 3.34Å; Y452-L455 PolarHBondContact O-N 2.92Å; L455-Y468 WeakPolarHBondContact CD2-O 3.48Å; L455-R470 HydrophobicContact CD1-CG 4.49Å
456	I	84.3	Confident	83.4	Confident	44 Å²	44	35.7 Å²	35.7	23%	0.226	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	4	178.4	68.4	-177.1	0	0	0	113.7	I379 I381 Y452 L453 E454 A458	I379-I456 VanDerWaalsContact CD1-O 3.28Å; I379-I456 WeakPolarHBondContact CD1-O 3.25Å; I379-I456 WeakPolarHBondContact CG1-O 3.47Å; I381-I456 HydrophobicContact CD1-CD1 3.86Å; Y452-I456 HydrophobicContact CD1-CD1 4.41Å; Y452-I456 HydrophobicContact CD2-CG2 4.44Å; Y452-I456 HydrophobicContact CE1-CD1 3.79Å; Y452-I456 HydrophobicContact CE2-CD1 4.41Å; Y452-I456 HydrophobicContact CE2-CG2 3.98Å; Y452-I456 WeakPolarHBondContact O-CG1 3.37Å; Y452-I456 PolarHBondContact O-N 3.36Å; L453-I456 HydrophobicContact CD2-CD1 4.38Å; L453-I456 WeakPolarHBondContact O-CG1 3.43Å; E454-I456 VanDerWaalsContact C-N 3.29Å; E454-I456 PolarHBondContact O-N 3.27Å; I456-A458 VanDerWaalsContact C-N 3.3Å; I456-A458 HydrophobicContact CD1-CB 4.17Å; I456-A458 HydrophobicContact CG1-CB 3.91Å; I456-A458 PolarHBondContact O-N 3.16Å
457	G	80.4	Confident	82.5	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	23.4	179	0	0	0	0	0	114.9	I379 L453 E454	I379-G457 PolarHBondContact N-O 2.91Å; I379-G457 VanDerWaalsContact N-O 3.13Å; L453-G457 PolarHBondContact O-N 2.87Å; E454-G457 PolarHBondContact O-N 3.1Å; E454-G457 VanDerWaalsContact O-N 3.1Å
458	A	84.8	Confident	81.5	Confident	3 Å²	3	42.1 Å²	42.1	3%	0.025	22%	0.222	C	C	.	.	S	Bend	trans	-89.4	-13.7	174.2	0	0	0	0	0	113.2	I379 I381 L417 L453 I456	I379-A458 WeakPolarHBondContact O-CA 3.39Å; I379-A458 WeakPolarHBondContact O-CB 3.46Å; I381-A458 HydrophobicContact CD1-CB 3.51Å; I381-A458 HydrophobicContact CG1-CB 3.97Å; L417-A458 HydrophobicContact CD2-CB 4.29Å; L417-A458 WeakPolarHBondContact CD2-O 3.5Å; L453-A458 HydrophobicContact CD2-CB 4.27Å; L453-A458 PolarHBondContact O-N 2.69Å; I456-A458 VanDerWaalsContact C-N 3.3Å; I456-A458 HydrophobicContact CD1-CB 4.17Å; I456-A458 HydrophobicContact CG1-CB 3.91Å; I456-A458 PolarHBondContact O-N 3.16Å
459	I	86.4	Confident	80	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	-137.4	160.4	162.5	65.6	179.2	0	0	0	109.4	I416 L417 W420 H450 L453 E454 F461	I416-I459 HydrophobicContact CG2-CD1 3.68Å; I416-I459 HydrophobicContact CG2-CG2 4.01Å; L417-I459 HydrophobicContact CD2-CG2 3.95Å; W420-I459 HydrophobicContact CB-CB 4.1Å; W420-I459 HydrophobicContact CB-CG2 3.61Å; W420-I459 HydrophobicContact CD2-CB 4.21Å; W420-I459 HydrophobicContact CG-CB 3.92Å; W420-I459 HydrophobicContact CG-CG2 3.83Å; H450-I459 WeakPolarHBondContact CD2-CD1 3.28Å; L453-I459 HydrophobicContact CB-CD1 3.93Å; L453-I459 HydrophobicContact CB-CG1 3.93Å; L453-I459 HydrophobicContact CB-CG2 4.33Å; L453-I459 PolarHBondContact O-N 3.11Å; E454-I459 HydrophobicContact CB-CD1 4.31Å; E454-I459 HydrophobicContact CB-CG1 4.01Å; I459-F461 PolarHBondContact O-N 3.32Å
460	N	85.7	Confident	78.1	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	60.3	13.7	174.9	-64.1	-21.8	0	0	0	115	W420 Y427 L428 E454 G462 C463 A466 Y468	W420-N460 VanDerWaalsContact CH2-CA 3.44Å; W420-N460 WeakPolarHBondContact CZ3-OD1 3.44Å; Y427-N460 HydrophobicContact CD2-CB 3.73Å; Y427-N460 VanDerWaalsContact CD2-CG 3.41Å; Y427-N460 WeakPolarHBondContact CD2-ND2 3.14Å; Y427-N460 HydrophobicContact CE2-CB 3.86Å; Y427-N460 WeakPolarHBondContact CE2-ND2 3.37Å; L428-N460 WeakPolarHBondContact CA-OD1 3.48Å; L428-N460 WeakPolarHBondContact CB-OD1 3.31Å; L428-N460 PolarHBondContact N-OD1 3.36Å; L428-N460 PolarHBondContact O-ND2 3.45Å; E454-N460 HydrophobicContact CG-CB 4.38Å; E454-N460 PolarHBondContact OE1-ND2 3.1Å; N460-G462 PolarHBondContact O-N 3.22Å; N460-C463 WeakPolarHBondContact O-CB 3.2Å; N460-C463 PolarHBondContact O-N 2.74Å; N460-C463 VanDerWaalsContact O-N 3.07Å; N460-A466 HydrophobicContact CB-CB 4.17Å; N460-Y468 PolarHBondContact O-OH 3.13Å
461	F	82.2	Confident	75.9	Confident	57 Å²	57	55 Å²	55	25%	0.25	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	131.5	175.1	-170.4	-92.5	0	0	0	110.9	P375 Q377 E378 I459 C463	P375-F461 HydrophobicContact CB-CD2 4.5Å; P375-F461 HydrophobicContact CB-CE2 4.13Å; P375-F461 HydrophobicContact CG-CD2 4.31Å; P375-F461 HydrophobicContact CG-CE2 4.22Å; P375-F461 WeakPolarHBondContact O-CE2 3.46Å; Q377-F461 VanDerWaalsContact C-CZ 3.44Å; Q377-F461 WeakPolarHBondContact O-CE2 3.04Å; E378-F461 HydrophobicContact CB-CB 4.01Å; E378-F461 HydrophobicContact CB-CD1 3.68Å; E378-F461 HydrophobicContact CB-CD2 4.24Å; E378-F461 HydrophobicContact CB-CE1 4.23Å; E378-F461 HydrophobicContact CB-CG 3.69Å; E378-F461 HydrophobicContact CG-CB 3.83Å; E378-F461 HydrophobicContact CG-CD1 4.37Å; E378-F461 HydrophobicContact CG-CG 4.09Å; I459-F461 PolarHBondContact O-N 3.32Å; F461-C463 PolarHBondContact O-N 3.11Å
462	G	70.5	Confident	73.3	Confident	68 Å²	68	60.8 Å²	60.8	70%	0.701	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	2.6	-176.9	0	0	0	0	0	115.9	N460	N460-G462 PolarHBondContact O-N 3.22Å
463	C	78.4	Confident	70.8	Confident	13 Å²	13	64.3 Å²	64.3	9%	0.088	34%	0.341	C	S	.	.			trans	-81.9	130.6	171.1	-62.7	0	0	0	0	111.2	P425 Y427 N460 F461 Q465 A466	P425-C463 PolarHBondContact O-SG 2.95Å; P425-C463 VanDerWaalsContact O-SG 3.41Å; Y427-C463 HydrophobicContact CD2-CB 3.86Å; Y427-C463 HydrophobicContact CG-CB 4.48Å; N460-C463 WeakPolarHBondContact O-CB 3.2Å; N460-C463 PolarHBondContact O-N 2.74Å; N460-C463 VanDerWaalsContact O-N 3.07Å; F461-C463 PolarHBondContact O-N 3.11Å; C463-Q465 PolarHBondContact O-N 3.36Å; C463-A466 WeakPolarHBondContact O-CB 3.4Å; C463-A466 PolarHBondContact O-N 3.29Å
464	E	69.1	Low	68.2	Low	183 Å²	183	70.6 Å²	70.6	86%	0.855	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-18.3	176.8	-55.4	172	152	0	0	113.9
465	Q	76.1	Confident	65.5	Low	98 Å²	98	77.1 Å²	77.1	46%	0.458	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-4.8	-178.3	-55.7	78.3	29.2	0	0	113.6	Y427 C463	Y427-Q465 HydrophobicContact CD1-CB 4.12Å; Y427-Q465 HydrophobicContact CD2-CB 3.88Å; Y427-Q465 HydrophobicContact CE1-CB 4.27Å; Y427-Q465 HydrophobicContact CE2-CB 4.05Å; Y427-Q465 HydrophobicContact CG-CB 3.91Å; C463-Q465 PolarHBondContact O-N 3.36Å
466	A	72.3	Confident	63.4	Low	14 Å²	14	79.3 Å²	79.3	12%	0.116	42%	0.422	C	S	.	.			trans	-78.6	139.1	178.7	0	0	0	0	0	111.6	Y427 N460 C463 Y468	Y427-A466 HydrophobicContact CE2-CB 4.32Å; N460-A466 HydrophobicContact CB-CB 4.17Å; C463-A466 WeakPolarHBondContact O-CB 3.4Å; C463-A466 PolarHBondContact O-N 3.29Å; A466-Y468 HydrophobicContact CB-CE1 4.27Å; A466-Y468 HydrophobicContact CB-CE2 3.99Å; A466-Y468 WeakPolarHBondContact CB-OH 3.48Å
467	V	68.5	Low	61.1	Low	88 Å²	88	83.1 Å²	83.1	53%	0.533	45%	0.447	S	S	.	.			trans	-122.8	95.9	-177.2	-178.3	0	0	0	0	109.8	N469	V467-N469 HydrophobicContact CG1-CB 4.07Å; V467-N469 PolarHBondContact O-N 2.65Å; V467-N469 VanDerWaalsContact O-N 3.07Å
468	Y	68	Low	58.8	Low	55 Å²	55	94.4 Å²	94.4	22%	0.216	49%	0.49	C	S	.	.			trans	-74	9.3	-177.2	-53.3	-74.9	0	0	0	114.6	P375 E454 L455 N460 A466 R470	P375-Y468 HydrophobicContact CG-CD1 3.68Å; P375-Y468 HydrophobicContact CG-CE1 3.74Å; P375-Y468 HydrophobicContact CG-CG 4.35Å; E454-Y468 WeakPolarHBondContact O-CD1 3.13Å; E454-Y468 VanDerWaalsContact O-CE1 3.31Å; E454-Y468 WeakPolarHBondContact O-CE1 3.48Å; L455-Y468 WeakPolarHBondContact CD2-O 3.48Å; N460-Y468 PolarHBondContact O-OH 3.13Å; A466-Y468 HydrophobicContact CB-CE1 4.27Å; A466-Y468 HydrophobicContact CB-CE2 3.99Å; A466-Y468 WeakPolarHBondContact CB-OH 3.48Å; Y468-R470 PolarHBondContact O-N 3.24Å
469	N	55.1	Low	56.7	Low	130 Å²	130	100.9 Å²	100.9	70%	0.695	52%	0.523	S	S	*	.			trans	-82.5	109	-175.7	-66	-14.2	0	0	0	111.6	V467	V467-N469 HydrophobicContact CG1-CB 4.07Å; V467-N469 PolarHBondContact O-N 2.65Å; V467-N469 VanDerWaalsContact O-N 3.07Å
470	R	50.7	Low	54.5	Low	164 Å²	164	111.9 Å²	111.9	62%	0.619	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-69.9	138.3	173.1	-166.1	177.5	-165.7	137.2	1.5	110.7	L455 Y468 Q472	L455-R470 HydrophobicContact CD1-CG 4.49Å; Y468-R470 PolarHBondContact O-N 3.24Å; R470-Q472 PolarHBondContact O-N 3.15Å
471	P	45.7	Very low	52.5	Low	105 Å²	105	118.8 Å²	118.8	68%	0.682	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-60	119.5	168.1	-23	34.2	0	0	0	110.6	T473	P471-T473 PolarHBondContact O-N 3.42Å
472	Q	33.5	Very low	50.6	Low	178 Å²	178	122.4 Å²	122.4	83%	0.832	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-60.6	126.5	-173.7	-161.5	176.7	25	0	0	111.2	R470 V474	R470-Q472 PolarHBondContact O-N 3.15Å; Q472-V474 PolarHBondContact O-N 3.48Å
473	T	36.8	Very low	49.2	Very low	99 Å²	99	126.4 Å²	126.4	61%	0.607	61%	0.612	S	S	*	*			trans	-82	107.9	175.4	50.6	0	0	0	0	109.9	P471	P471-T473 PolarHBondContact O-N 3.42Å
474	V	32.8	Very low	47.6	Very low	133 Å²	133	131.9 Å²	131.9	81%	0.806	64%	0.64	S	S	*	*			trans	-45.5	139.3	176.9	-75.8	0	0	0	0	113.5	Q472	Q472-V474 PolarHBondContact O-N 3.48Å
475	D	30.4	Very low	46.5	Very low	150 Å²	150	126.1 Å²	126.1	80%	0.802	62%	0.623	S	S	*	*			trans	-51.1	132.4	-167.8	-71.7	-75.7	0	0	0	115.3	V477	D475-V477 VanDerWaalsContact C-N 3.28Å; D475-V477 HydrophobicContact CB-CG2 4.46Å; D475-V477 PolarHBondContact O-N 2.92Å
476	K	39.2	Very low	45.2	Very low	83 Å²	83	124.4 Å²	124.4	36%	0.361	62%	0.62	S	S	.	*			trans	-89.3	17.7	-178.2	-57.1	163.7	-163.6	141.1	0	112.9	E369 R478	E369-K476 IonicContact OE1-NZ 2.74Å; E369-K476 PolarHBondContact OE1-NZ 2.87Å; E369-K476 IonicContact OE2-NZ 3.49Å; E369-K476 PolarHBondContact OE2-NZ 2.92Å; K476-R478 VanDerWaalsContact C-N 3.33Å; K476-R478 PolarHBondContact O-N 3.47Å
477	V	36.8	Very low	43.9	Very low	124 Å²	124	129.1 Å²	129.1	75%	0.752	64%	0.639	S	S	*	*			trans	-79.9	74.1	-172.8	-170.9	0	0	0	0	111.9	D475	D475-V477 VanDerWaalsContact C-N 3.28Å; D475-V477 HydrophobicContact CB-CG2 4.46Å; D475-V477 PolarHBondContact O-N 2.92Å
478	R	32.2	Very low	42.9	Very low	237 Å²	237	127.7 Å²	127.7	89%	0.894	64%	0.637	S	S	*	*			trans	-173.3	82.2	154.6	-102.7	159.7	-158.8	-149.9	5.7	110.1	K476 R480	K476-R478 VanDerWaalsContact C-N 3.33Å; K476-R478 PolarHBondContact O-N 3.47Å; R478-R480 PolarHBondContact O-N 3.47Å
479	I	41.2	Very low	41.9	Very low	139 Å²	139	133.4 Å²	133.4	71%	0.713	66%	0.659	S	S	*	*			trans	-87.7	98.6	179.2	-58	175.3	0	0	0	109.8
480	R	38.4	Very low	41.6	Very low	231 Å²	231	132.5 Å²	132.5	87%	0.872	65%	0.651	S	S	*	*	S	Bend	trans	-158.3	-41.9	150.2	-110.3	162.9	-151.9	-100.4	-0.3	113.9	R478 R482	R478-R480 PolarHBondContact O-N 3.47Å; R480-R482 VanDerWaalsContact C-N 3.26Å; R480-R482 PolarHBondContact O-N 3.46Å
481	D	43.5	Very low	41.3	Very low	146 Å²	146	129.4 Å²	129.4	78%	0.781	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	14.2	-173.6	-48.3	-48.8	0	0	0	114.6	K483	D481-K483 PolarHBondContact O-N 2.9Å
482	R	43.6	Very low	41.4	Very low	133 Å²	133	126.4 Å²	126.4	50%	0.502	63%	0.63	S	S	.	*	H	α-helix	trans	-75.2	-25.8	-163.6	-161.1	174.2	-165	159.7	9	114.5	R480 V486	R480-R482 VanDerWaalsContact C-N 3.26Å; R480-R482 PolarHBondContact O-N 3.46Å; R482-V486 HydrophobicContact CG-CG2 4.08Å; R482-V486 WeakPolarHBondContact O-CB 3.42Å; R482-V486 VanDerWaalsContact O-CG2 3.3Å; R482-V486 WeakPolarHBondContact O-CG2 3.15Å; R482-V486 PolarHBondContact O-N 3.19Å
483	K	39.8	Very low	42	Very low	152 Å²	152	121.7 Å²	121.7	66%	0.661	61%	0.608	S	S	*	*	H	α-helix	trans	-69.8	-56.8	-170.2	-152.6	172.6	-174.6	179.3	0	111.3	D481 A485 V486 E487	D481-K483 PolarHBondContact O-N 2.9Å; K483-A485 VanDerWaalsContact C-N 3.28Å; K483-A485 PolarHBondContact O-N 3.14Å; K483-V486 PolarHBondContact O-N 3.26Å; K483-E487 PolarHBondContact O-N 2.78Å
484	D	45	Very low	42.2	Very low	128 Å²	128	125.6 Å²	125.6	68%	0.684	61%	0.612	S	S	*	*	H	α-helix	trans	-62.2	-36.5	179.1	-56.2	1.4	0	0	0	111.7	A488	D484-A488 WeakPolarHBondContact O-CB 3.35Å; D484-A488 PolarHBondContact O-N 3.13Å
485	A	46.1	Very low	42.6	Very low	61 Å²	61	124.7 Å²	124.7	50%	0.504	60%	0.601	S	S	.	*	H	α-helix	trans	-65.2	-42	176.3	0	0	0	0	0	112.8	K483 Y489	K483-A485 VanDerWaalsContact C-N 3.28Å; K483-A485 PolarHBondContact O-N 3.14Å; A485-Y489 WeakPolarHBondContact O-CB 2.92Å; A485-Y489 PolarHBondContact O-N 3.4Å
486	V	49.4	Very low	43.2	Very low	63 Å²	63	124.6 Å²	124.6	38%	0.382	60%	0.596	S	S	.	*	H	α-helix	trans	-71.4	-42.9	176.8	170.2	0	0	0	0	110.9	R482 K483 A488 Y489 Q490	R482-V486 HydrophobicContact CG-CG2 4.08Å; R482-V486 WeakPolarHBondContact O-CB 3.42Å; R482-V486 VanDerWaalsContact O-CG2 3.3Å; R482-V486 WeakPolarHBondContact O-CG2 3.15Å; R482-V486 PolarHBondContact O-N 3.19Å; K483-V486 PolarHBondContact O-N 3.26Å; V486-A488 PolarHBondContact O-N 2.83Å; V486-Y489 PolarHBondContact O-N 2.97Å; V486-Q490 HydrophobicContact CG1-CG 4.32Å; V486-Q490 WeakPolarHBondContact O-CB 3.37Å; V486-Q490 WeakPolarHBondContact O-CG 3.21Å; V486-Q490 PolarHBondContact O-N 3.27Å
487	E	45.4	Very low	43.2	Very low	113 Å²	113	123.9 Å²	123.9	53%	0.528	60%	0.602	S	S	.	*	H	α-helix	trans	-63.6	-40.4	176.1	-71.2	-175.5	-152.4	0	0	111.6	K483 L491	K483-E487 PolarHBondContact O-N 2.78Å; E487-L491 WeakPolarHBondContact O-CB 3.44Å; E487-L491 PolarHBondContact O-N 3.35Å
488	A	47	Very low	43	Very low	58 Å²	58	125.1 Å²	125.1	48%	0.479	60%	0.601	S	S	.	*	H	α-helix	trans	-64.6	-39.1	173.2	0	0	0	0	0	112.7	D484 V486 L491 A492	D484-A488 WeakPolarHBondContact O-CB 3.35Å; D484-A488 PolarHBondContact O-N 3.13Å; V486-A488 PolarHBondContact O-N 2.83Å; A488-L491 PolarHBondContact O-N 3.3Å; A488-A492 VanDerWaalsContact O-CB 3.29Å; A488-A492 WeakPolarHBondContact O-CB 3.49Å; A488-A492 PolarHBondContact O-N 3.31Å
489	Y	47.2	Very low	43.4	Very low	174 Å²	174	124 Å²	124	68%	0.682	60%	0.597	S	S	*	*	H	α-helix	trans	-69.5	-44.1	177.6	-157	-91.6	0	0	0	111.6	A485 V486 L491 A492 Q493	A485-Y489 WeakPolarHBondContact O-CB 2.92Å; A485-Y489 PolarHBondContact O-N 3.4Å; V486-Y489 PolarHBondContact O-N 2.97Å; Y489-L491 VanDerWaalsContact C-N 3.35Å; Y489-L491 PolarHBondContact O-N 2.74Å; Y489-A492 PolarHBondContact O-N 3.44Å; Y489-Q493 WeakPolarHBondContact O-CB 3.36Å; Y489-Q493 PolarHBondContact O-N 3.37Å
490	Q	49.4	Very low	43.1	Very low	111 Å²	111	123 Å²	123	52%	0.519	60%	0.598	S	S	.	*	H	α-helix	trans	-62.6	-40.4	173.2	-71.7	-179.8	6	0	0	111.7	V486 Q493 R494	V486-Q490 HydrophobicContact CG1-CG 4.32Å; V486-Q490 WeakPolarHBondContact O-CB 3.37Å; V486-Q490 WeakPolarHBondContact O-CG 3.21Å; V486-Q490 PolarHBondContact O-N 3.27Å; Q490-Q493 PolarHBondContact O-N 3.5Å; Q490-R494 WeakPolarHBondContact O-CB 3.43Å; Q490-R494 PolarHBondContact O-N 3.48Å
491	L	43.9	Very low	43.2	Very low	100 Å²	100	123.7 Å²	123.7	52%	0.524	60%	0.6	S	S	.	*	H	α-helix	trans	-64.2	-44	174.6	-180	61.4	0	0	0	111.5	E487 A488 Y489 Q493 R494 L495	E487-L491 WeakPolarHBondContact O-CB 3.44Å; E487-L491 PolarHBondContact O-N 3.35Å; A488-L491 PolarHBondContact O-N 3.3Å; Y489-L491 VanDerWaalsContact C-N 3.35Å; Y489-L491 PolarHBondContact O-N 2.74Å; L491-Q493 PolarHBondContact O-N 3.43Å; L491-R494 WeakPolarHBondContact O-CB 3.42Å; L491-R494 PolarHBondContact O-N 2.83Å; L491-L495 HydrophobicContact CD1-CD1 4.22Å; L491-L495 HydrophobicContact CD1-CG 4.33Å; L491-L495 HydrophobicContact CG-CD1 4.02Å; L491-L495 WeakPolarHBondContact O-CB 3.49Å; L491-L495 VanDerWaalsContact O-CG 3.26Å; L491-L495 WeakPolarHBondContact O-CG 3.42Å; L491-L495 PolarHBondContact O-N 3.14Å
492	A	48.1	Very low	43.2	Very low	42 Å²	42	124.3 Å²	124.3	35%	0.347	59%	0.592	S	S	.	*	H	α-helix	trans	-62.2	-42	174.8	0	0	0	0	0	111.7	A488 Y489 L495 Q496	A488-A492 VanDerWaalsContact O-CB 3.29Å; A488-A492 WeakPolarHBondContact O-CB 3.49Å; A488-A492 PolarHBondContact O-N 3.31Å; Y489-A492 PolarHBondContact O-N 3.44Å; A492-L495 PolarHBondContact O-N 3.04Å; A492-Q496 WeakPolarHBondContact O-CB 3.35Å; A492-Q496 VanDerWaalsContact O-CG 3.3Å; A492-Q496 WeakPolarHBondContact O-CG 3.3Å; A492-Q496 PolarHBondContact O-N 3.41Å
493	Q	45.9	Very low	43.3	Very low	79 Å²	79	128.3 Å²	128.3	37%	0.369	61%	0.607	S	S	.	*	H	α-helix	trans	-66.9	-39	176.5	-160	-179.2	7.6	0	0	111.7	Y489 Q490 L491 S497	Y489-Q493 WeakPolarHBondContact O-CB 3.36Å; Y489-Q493 PolarHBondContact O-N 3.37Å; Q490-Q493 PolarHBondContact O-N 3.5Å; L491-Q493 PolarHBondContact O-N 3.43Å; Q493-S497 WeakPolarHBondContact O-CB 3.43Å; Q493-S497 PolarHBondContact O-N 2.8Å; Q493-S497 PolarHBondContact O-OG 2.9Å
494	R	40	Very low	43.9	Very low	181 Å²	181	128.6 Å²	128.6	68%	0.683	60%	0.603	S	S	*	*	H	α-helix	trans	-58.1	-53.7	168.8	-108.6	177.2	172.2	142.9	-0.9	110.7	Q490 L491 Q496 S497 M498	Q490-R494 WeakPolarHBondContact O-CB 3.43Å; Q490-R494 PolarHBondContact O-N 3.48Å; L491-R494 WeakPolarHBondContact O-CB 3.42Å; L491-R494 PolarHBondContact O-N 2.83Å; R494-Q496 VanDerWaalsContact C-N 3.34Å; R494-Q496 PolarHBondContact O-N 2.91Å; R494-S497 PolarHBondContact O-N 2.87Å; R494-S497 VanDerWaalsContact O-N 3.09Å; R494-S497 PolarHBondContact O-OG 3.1Å; R494-M498 WeakPolarHBondContact O-CB 3.39Å; R494-M498 VanDerWaalsContact O-CG 3.24Å; R494-M498 WeakPolarHBondContact O-CG 3.35Å; R494-M498 PolarHBondContact O-N 2.91Å
495	L	42.3	Very low	44.7	Very low	113 Å²	113	125.3 Å²	125.3	59%	0.592	59%	0.588	S	S	*	*	H	α-helix	trans	-62.7	-36	-178.9	-71.5	169.1	0	0	0	113	L491 A492 R499	L491-L495 HydrophobicContact CD1-CD1 4.22Å; L491-L495 HydrophobicContact CD1-CG 4.33Å; L491-L495 HydrophobicContact CG-CD1 4.02Å; L491-L495 WeakPolarHBondContact O-CB 3.49Å; L491-L495 VanDerWaalsContact O-CG 3.26Å; L491-L495 WeakPolarHBondContact O-CG 3.42Å; L491-L495 PolarHBondContact O-N 3.14Å; A492-L495 PolarHBondContact O-N 3.04Å; L495-R499 PolarHBondContact O-N 2.83Å
496	Q	41.9	Very low	45.1	Very low	149 Å²	149	128.8 Å²	128.8	70%	0.696	59%	0.588	S	S	*	*	H	α-helix	trans	-68.1	-40.7	171.8	-73.3	-178.6	19.1	0	0	111.9	A492 R494 R499	A492-Q496 WeakPolarHBondContact O-CB 3.35Å; A492-Q496 VanDerWaalsContact O-CG 3.3Å; A492-Q496 WeakPolarHBondContact O-CG 3.3Å; A492-Q496 PolarHBondContact O-N 3.41Å; R494-Q496 VanDerWaalsContact C-N 3.34Å; R494-Q496 PolarHBondContact O-N 2.91Å; Q496-R499 WeakPolarHBondContact O-CB 3.38Å; Q496-R499 PolarHBondContact O-N 3.49Å
497	S	39.5	Very low	45.7	Very low	68 Å²	68	126.8 Å²	126.8	48%	0.476	58%	0.575	S	S	.	*	H	α-helix	trans	-71.4	-28.9	177.1	70.9	0	0	0	0	113.7	Q493 R494 R499	Q493-S497 WeakPolarHBondContact O-CB 3.43Å; Q493-S497 PolarHBondContact O-N 2.8Å; Q493-S497 PolarHBondContact O-OG 2.9Å; R494-S497 PolarHBondContact O-N 2.87Å; R494-S497 VanDerWaalsContact O-N 3.09Å; R494-S497 PolarHBondContact O-OG 3.1Å; S497-R499 PolarHBondContact O-N 3.11Å
498	M	33.9	Very low	46.1	Very low	150 Å²	150	125.3 Å²	125.3	74%	0.739	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-5.6	173	-70.7	-73.9	-79.9	0	0	113.1	R494 T500	R494-M498 WeakPolarHBondContact O-CB 3.39Å; R494-M498 VanDerWaalsContact O-CG 3.24Å; R494-M498 WeakPolarHBondContact O-CG 3.35Å; R494-M498 PolarHBondContact O-N 2.91Å; M498-T500 PolarHBondContact O-N 3.49Å
499	R	40.8	Very low	46.3	Very low	214 Å²	214	132.3 Å²	132.3	81%	0.808	59%	0.589	S	S	*	*	S	Bend	trans	-73.1	92.1	174.2	-170.2	177.2	-174.4	160.1	0.6	109.8	L495 Q496 S497 R501	L495-R499 PolarHBondContact O-N 2.83Å; Q496-R499 WeakPolarHBondContact O-CB 3.38Å; Q496-R499 PolarHBondContact O-N 3.49Å; S497-R499 PolarHBondContact O-N 3.11Å; R499-R501 PolarHBondContact O-N 3.38Å
500	T	33.5	Very low	47	Very low	118 Å²	118	125.5 Å²	125.5	72%	0.724	57%	0.573	S	S	*	*			trans	-47	126.6	178.9	52.8	0	0	0	0	111.6	M498 R502	M498-T500 PolarHBondContact O-N 3.49Å; T500-R502 VanDerWaalsContact C-N 3.34Å; T500-R502 PolarHBondContact O-N 2.83Å
501	R	42.1	Very low	47.6	Very low	245 Å²	245	124.8 Å²	124.8	93%	0.925	57%	0.572	S	S	*	*			trans	-67.2	90	-176.9	-172.4	-174.1	-168.8	-137.8	6.7	109.4	R499 R503	R499-R501 PolarHBondContact O-N 3.38Å; R501-R503 PolarHBondContact O-N 3.5Å
502	R	42.1	Very low	48.5	Very low	159 Å²	159	127.2 Å²	127.2	60%	0.6	57%	0.574	S	S	*	*			trans	-52.8	113.1	-178.6	-72.1	-164.9	175.6	-168.5	-5	110.5	T500 R504 D514	T500-R502 VanDerWaalsContact C-N 3.34Å; T500-R502 PolarHBondContact O-N 2.83Å; R502-R504 PolarHBondContact O-N 2.87Å; R502-R504 VanDerWaalsContact O-N 3.08Å; R502-D514 WeakPolarHBondContact CD-OD2 3.43Å; R502-D514 IonicContact CZ-OD2 3.6Å; R502-D514 IonicContact NE-OD2 3.7Å; R502-D514 IonicContact NH1-OD2 3.44Å; R502-D514 PolarHBondContact NH1-OD2 3.14Å
503	R	45.4	Very low	49.3	Very low	217 Å²	217	126.9 Å²	126.9	82%	0.819	57%	0.569	S	S	*	*			trans	-72.3	98.8	173.3	-173.5	176	-173.8	165.7	1.1	107.4	R501 V505	R501-R503 PolarHBondContact O-N 3.5Å; R503-V505 PolarHBondContact O-N 3.31Å
504	R	53.1	Low	50.4	Low	157 Å²	157	124.8 Å²	124.8	59%	0.592	56%	0.561	S	S	*	*			trans	-61.2	134.7	168.4	-78.1	-176	-85.2	-177.6	-6.4	109	R502 W512 C513 D514	R502-R504 PolarHBondContact O-N 2.87Å; R502-R504 VanDerWaalsContact O-N 3.08Å; R504-W512 HydrophobicContact CB-CB 4.43Å; R504-W512 HydrophobicContact CB-CE3 4.22Å; R504-W512 WeakPolarHBondContact O-CZ3 3.47Å; R504-C513 CarbonylContact C-O 3.56Å; R504-C513 WeakPolarHBondContact CA-O 3.28Å; R504-C513 WeakPolarHBondContact CB-O 3.44Å; R504-D514 WeakPolarHBondContact CG-OD1 3.31Å
505	V	60.9	Low	51.2	Low	59 Å²	59	118.4 Å²	118.4	36%	0.358	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	155.5	-178	179.4	0	0	0	0	107.6	R503 C513 A515 L518	R503-V505 PolarHBondContact O-N 3.31Å; V505-C513 PolarHBondContact N-O 3.45Å; V505-C513 PolarHBondContact O-N 3.49Å; V505-A515 HydrophobicContact CG2-CB 3.94Å; V505-L518 HydrophobicContact CB-CD1 3.84Å; V505-L518 HydrophobicContact CG1-CD1 3.6Å
506	R	54.8	Low	51.9	Low	134 Å²	134	119.2 Å²	119.2	51%	0.506	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	131.7	172.5	-70.6	-167	-172.5	-82	0.9	111	G510 N511 W512	R506-G510 PolarHBondContact NH1-O 3.01Å; R506-N511 CarbonylContact C-O 3.57Å; R506-N511 WeakPolarHBondContact CA-O 3.35Å; R506-W512 HydrophobicContact CG-CD2 4.12Å; R506-W512 HydrophobicContact CG-CE3 3.67Å; R506-W512 HydrophobicContact CG-CH2 4.38Å; R506-W512 HydrophobicContact CG-CZ3 3.81Å; R506-W512 VanDerWaalsContact CZ-CE2 3.43Å; R506-W512 VanDerWaalsContact NH2-CE2 3.3Å
507	D	62.9	Low	52.5	Low	22 Å²	22	117.6 Å²	117.6	12%	0.118	54%	0.541	C	S	.	.			trans	-68.1	170.6	171.5	73.9	10.5	0	0	0	111.6	W509 G510 N511 L518	D507-W509 HydrophobicContact CB-CE3 4.13Å; D507-W509 PolarHBondContact O-N 3.01Å; D507-W509 VanDerWaalsContact OD1-C 3.3Å; D507-W509 WeakPolarHBondContact OD1-CA 3.41Å; D507-W509 WeakPolarHBondContact OD1-CB 3.48Å; D507-W509 PolarHBondContact OD1-N 3.01Å; D507-G510 PolarHBondContact O-N 3.27Å; D507-G510 VanDerWaalsContact O-N 3.16Å; D507-G510 PolarHBondContact OD1-N 3.02Å; D507-N511 PolarHBondContact N-O 3.32Å; D507-N511 PolarHBondContact OD1-N 2.85Å; D507-N511 PolarHBondContact OD1-ND2 2.84Å; D507-N511 WeakPolarHBondContact OD2-CB 3.49Å; D507-N511 PolarHBondContact OD2-ND2 3.1Å; D507-L518 HydrophobicContact CB-CD2 4.43Å
508	P	53	Low	53.3	Low	81 Å²	81	118 Å²	118	53%	0.526	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-1.5	176.8	-25.2	36.6	0	0	0	115.8	R138	R138-P508 PolarHBondContact NH1-O 3.44Å
509	W	52.2	Low	54	Low	205 Å²	205	116.9 Å²	116.9	78%	0.777	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	-15	179.4	-57.1	-76.8	0	0	0	112.7	D507	D507-W509 HydrophobicContact CB-CE3 4.13Å; D507-W509 PolarHBondContact O-N 3.01Å; D507-W509 VanDerWaalsContact OD1-C 3.3Å; D507-W509 WeakPolarHBondContact OD1-CA 3.41Å; D507-W509 WeakPolarHBondContact OD1-CB 3.48Å; D507-W509 PolarHBondContact OD1-N 3.01Å
510	G	61.2	Low	54.2	Low	32 Å²	32	109.6 Å²	109.6	33%	0.33	52%	0.523	S	S	.	.	S	Bend	trans	111.2	-0.8	174.8	0	0	0	0	0	115.6	R506 D507	R506-G510 PolarHBondContact NH1-O 3.01Å; D507-G510 PolarHBondContact O-N 3.27Å; D507-G510 VanDerWaalsContact O-N 3.16Å; D507-G510 PolarHBondContact OD1-N 3.02Å
511	N	63	Low	54.5	Low	96 Å²	96	111.9 Å²	111.9	51%	0.513	53%	0.525	S	S	.	.			trans	-80.4	157.7	-177.9	-44.3	-63.2	0	0	0	111.4	R506 D507	R506-N511 CarbonylContact C-O 3.57Å; R506-N511 WeakPolarHBondContact CA-O 3.35Å; D507-N511 PolarHBondContact N-O 3.32Å; D507-N511 PolarHBondContact OD1-N 2.85Å; D507-N511 PolarHBondContact OD1-ND2 2.84Å; D507-N511 WeakPolarHBondContact OD2-CB 3.49Å; D507-N511 PolarHBondContact OD2-ND2 3.1Å
512	W	61.3	Low	54.2	Low	150 Å²	150	106.3 Å²	106.3	57%	0.568	52%	0.519	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	106.6	177.9	-70.4	121.7	0	0	0	111.5	R504 R506	R504-W512 HydrophobicContact CB-CB 4.43Å; R504-W512 HydrophobicContact CB-CE3 4.22Å; R504-W512 WeakPolarHBondContact O-CZ3 3.47Å; R506-W512 HydrophobicContact CG-CD2 4.12Å; R506-W512 HydrophobicContact CG-CE3 3.67Å; R506-W512 HydrophobicContact CG-CH2 4.38Å; R506-W512 HydrophobicContact CG-CZ3 3.81Å; R506-W512 VanDerWaalsContact CZ-CE2 3.43Å; R506-W512 VanDerWaalsContact NH2-CE2 3.3Å
513	C	65.1	Low	53.9	Low	35 Å²	35	105.9 Å²	105.9	24%	0.236	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	163.5	175	-59.3	0	0	0	0	111	R504 V505 D517	R504-C513 CarbonylContact C-O 3.56Å; R504-C513 WeakPolarHBondContact CA-O 3.28Å; R504-C513 WeakPolarHBondContact CB-O 3.44Å; V505-C513 PolarHBondContact N-O 3.45Å; V505-C513 PolarHBondContact O-N 3.49Å; C513-D517 HydrophobicContact CB-CB 4.47Å
514	D	69.9	Low	53.8	Low	35 Å²	35	102.7 Å²	102.7	19%	0.187	52%	0.516	C	S	.	.			trans	-76.8	145.8	170.9	-113.1	14.2	0	0	0	109.2	R502 R504 K516 D517	R502-D514 WeakPolarHBondContact CD-OD2 3.43Å; R502-D514 IonicContact CZ-OD2 3.6Å; R502-D514 IonicContact NE-OD2 3.7Å; R502-D514 IonicContact NH1-OD2 3.44Å; R502-D514 PolarHBondContact NH1-OD2 3.14Å; R504-D514 WeakPolarHBondContact CG-OD1 3.31Å; D514-K516 PolarHBondContact O-N 3.08Å; D514-D517 WeakPolarHBondContact CB-OD2 3.24Å; D514-D517 PolarHBondContact N-OD2 3.41Å; D514-D517 WeakPolarHBondContact O-CB 3.49Å; D514-D517 PolarHBondContact O-N 2.8Å
515	A	56.1	Low	53.1	Low	47 Å²	47	104 Å²	104	39%	0.388	53%	0.528	S	S	.	.	G	3₁₀ helix	trans	-58.3	-27.4	-173.2	0	0	0	0	0	113.8	V505 D517 L518 E519	V505-A515 HydrophobicContact CG2-CB 3.94Å; A515-D517 VanDerWaalsContact C-N 3.29Å; A515-D517 PolarHBondContact O-N 3.24Å; A515-L518 PolarHBondContact O-N 3.37Å; A515-E519 PolarHBondContact O-N 3.21Å
516	K	57.5	Low	52.6	Low	130 Å²	130	104.2 Å²	104.2	57%	0.565	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-74.1	-16.2	177.1	-65.2	-157.9	149.4	-70.1	0	114.3	D514 L518 E519	D514-K516 PolarHBondContact O-N 3.08Å; K516-L518 PolarHBondContact O-N 2.77Å; K516-E519 IonicContact NZ-OE2 3.67Å; K516-E519 PolarHBondContact NZ-OE2 2.93Å
517	D	54.8	Low	52.9	Low	115 Å²	115	100.1 Å²	100.1	62%	0.615	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-82	-7.6	176.1	-45.4	-34.3	0	0	0	111.3	C513 D514 A515	C513-D517 HydrophobicContact CB-CB 4.47Å; D514-D517 WeakPolarHBondContact CB-OD2 3.24Å; D514-D517 PolarHBondContact N-OD2 3.41Å; D514-D517 WeakPolarHBondContact O-CB 3.49Å; D514-D517 PolarHBondContact O-N 2.8Å; A515-D517 VanDerWaalsContact C-N 3.29Å; A515-D517 PolarHBondContact O-N 3.24Å
518	L	55.1	Low	52.4	Low	78 Å²	78	103.1 Å²	103.1	41%	0.408	55%	0.547	S	S	.	.	S	Bend	trans	-109.3	-12.1	175.9	-60.6	174.6	0	0	0	112.8	V505 D507 A515 K516 G520	V505-L518 HydrophobicContact CB-CD1 3.84Å; V505-L518 HydrophobicContact CG1-CD1 3.6Å; D507-L518 HydrophobicContact CB-CD2 4.43Å; A515-L518 PolarHBondContact O-N 3.37Å; K516-L518 PolarHBondContact O-N 2.77Å; L518-G520 VanDerWaalsContact C-N 3.34Å; L518-G520 PolarHBondContact O-N 2.77Å
519	E	49.6	Very low	52.6	Low	125 Å²	125	107 Å²	107	58%	0.584	56%	0.558	S	S	*	*	S	Bend	trans	-72.4	89.3	164.9	-70.5	179.1	148	0	0	108	A515 K516 Q521	A515-E519 PolarHBondContact O-N 3.21Å; K516-E519 IonicContact NZ-OE2 3.67Å; K516-E519 PolarHBondContact NZ-OE2 2.93Å; E519-Q521 PolarHBondContact O-N 2.74Å
520	G	44.8	Very low	52.6	Low	62 Å²	62	101.9 Å²	101.9	64%	0.639	54%	0.543	S	S	*	.			trans	-56.5	136.4	-178.8	0	0	0	0	0	112.1	L518 T522	L518-G520 VanDerWaalsContact C-N 3.34Å; L518-G520 PolarHBondContact O-N 2.77Å; G520-T522 PolarHBondContact O-N 3.42Å
521	Q	40.8	Very low	52.5	Low	165 Å²	165	104.5 Å²	104.5	77%	0.771	55%	0.549	S	S	*	.			trans	-63.1	100.3	175.9	-73	179.9	-22.7	0	0	110.2	E519 F523	E519-Q521 PolarHBondContact O-N 2.74Å; Q521-F523 HydrophobicContact CB-CD2 4.33Å; Q521-F523 HydrophobicContact CB-CE2 3.94Å; Q521-F523 WeakPolarHBondContact O-CD2 3.17Å; Q521-F523 PolarHBondContact O-N 3.44Å; Q521-F523 VanDerWaalsContact O-N 3.08Å
522	T	33.7	Very low	52.4	Low	129 Å²	129	102.4 Å²	102.4	79%	0.791	55%	0.545	S	S	*	.			trans	-68.6	102	164.5	-52.1	0	0	0	0	107.9	G520 E524	G520-T522 PolarHBondContact O-N 3.42Å; T522-E524 PolarHBondContact O-N 3.11Å; T522-E524 VanDerWaalsContact O-N 3.09Å
523	F	37.3	Very low	52.5	Low	150 Å²	150	101.7 Å²	101.7	66%	0.658	55%	0.546	S	S	*	.			trans	-69.4	103.1	171.5	-75.8	-93.5	0	0	0	108.9	Q521 H525	Q521-F523 HydrophobicContact CB-CD2 4.33Å; Q521-F523 HydrophobicContact CB-CE2 3.94Å; Q521-F523 WeakPolarHBondContact O-CD2 3.17Å; Q521-F523 PolarHBondContact O-N 3.44Å; Q521-F523 VanDerWaalsContact O-N 3.08Å; F523-H525 PolarHBondContact O-CD2 3.17Å; F523-H525 VanDerWaalsContact O-CD2 3.28Å; F523-H525 PolarHBondContact O-N 3.04Å
524	E	42.2	Very low	52.1	Low	150 Å²	150	107 Å²	107	70%	0.701	56%	0.561	S	S	*	*			trans	-62.8	115	164.5	-69.9	-170.8	143.1	0	0	108.7	T522 L526	T522-E524 PolarHBondContact O-N 3.11Å; T522-E524 VanDerWaalsContact O-N 3.09Å; E524-L526 HydrophobicContact CB-CG 4.28Å; E524-L526 PolarHBondContact O-N 2.67Å
525	H	39	Very low	51.6	Low	185 Å²	185	113.8 Å²	113.8	86%	0.856	58%	0.584	S	S	*	*			trans	-76.2	65.4	175.6	-73.5	-96	0	0	0	110.7	F523	F523-H525 PolarHBondContact O-CD2 3.17Å; F523-H525 VanDerWaalsContact O-CD2 3.28Å; F523-H525 PolarHBondContact O-N 3.04Å
526	L	50.1	Low	51.7	Low	62 Å²	62	118.2 Å²	118.2	33%	0.325	60%	0.597	S	S	.	*			trans	-63.9	146.8	169.7	-62.7	-179.6	0	0	0	110.2	E524 E530	E524-L526 HydrophobicContact CB-CG 4.28Å; E524-L526 PolarHBondContact O-N 2.67Å; L526-E530 HydrophobicContact CB-CB 4.18Å
527	S	62.4	Low	51.7	Low	48 Å²	48	116.4 Å²	116.4	34%	0.336	59%	0.59	S	S	.	*			trans	-69.3	162.2	-178.5	78.7	0	0	0	0	111.8	E529 E530 L531	S527-E529 PolarHBondContact O-N 2.78Å; S527-E529 VanDerWaalsContact O-N 3.17Å; S527-E529 PolarHBondContact OG-N 3.46Å; S527-E530 VanDerWaalsContact CB-OE2 3.26Å; S527-E530 WeakPolarHBondContact CB-OE2 3.47Å; S527-E530 PolarHBondContact N-OE2 3.24Å; S527-E530 PolarHBondContact O-N 2.91Å; S527-E530 PolarHBondContact OG-N 3.23Å; S527-E530 PolarHBondContact OG-OE2 3.09Å; S527-L531 WeakPolarHBondContact O-CG 3.41Å; S527-L531 PolarHBondContact O-N 2.9Å; S527-L531 VanDerWaalsContact O-N 3.15Å
528	A	52.3	Low	51.5	Low	86 Å²	86	117.8 Å²	117.8	71%	0.711	59%	0.593	S	S	*	*	H	α-helix	trans	-60	-22.7	170.9	0	0	0	0	0	112.6	A532	A528-A532 WeakPolarHBondContact O-CB 3.32Å; A528-A532 PolarHBondContact O-N 3.03Å
529	E	55.6	Low	51.4	Low	161 Å²	161	123 Å²	123	75%	0.752	61%	0.612	S	S	*	*	H	α-helix	trans	-81.4	-42	-179.4	-160.2	164.9	-172.2	0	0	111.5	S527 L531 A532 K533	S527-E529 PolarHBondContact O-N 2.78Å; S527-E529 VanDerWaalsContact O-N 3.17Å; S527-E529 PolarHBondContact OG-N 3.46Å; E529-L531 VanDerWaalsContact C-N 3.29Å; E529-L531 PolarHBondContact O-N 3.07Å; E529-A532 PolarHBondContact O-N 3.26Å; E529-K533 WeakPolarHBondContact O-CB 3.48Å; E529-K533 PolarHBondContact O-N 2.83Å
530	E	52.2	Low	51.3	Low	98 Å²	98	121.2 Å²	121.2	46%	0.458	61%	0.614	S	S	.	*	H	α-helix	trans	-56.3	-43.5	167.2	-97.1	82.5	-140.4	0	0	111.8	L526 S527 K533 R534	L526-E530 HydrophobicContact CB-CB 4.18Å; S527-E530 VanDerWaalsContact CB-OE2 3.26Å; S527-E530 WeakPolarHBondContact CB-OE2 3.47Å; S527-E530 PolarHBondContact N-OE2 3.24Å; S527-E530 PolarHBondContact O-N 2.91Å; S527-E530 PolarHBondContact OG-N 3.23Å; S527-E530 PolarHBondContact OG-OE2 3.09Å; E530-K533 PolarHBondContact O-N 3.18Å; E530-R534 PolarHBondContact O-N 3.33Å
531	L	59.6	Low	51.5	Low	87 Å²	87	127.2 Å²	127.2	46%	0.455	62%	0.617	S	S	.	*	H	α-helix	trans	-71.7	-28.7	-178.7	-69.6	173.9	0	0	0	113	S527 E529 R535	S527-L531 WeakPolarHBondContact O-CG 3.41Å; S527-L531 PolarHBondContact O-N 2.9Å; S527-L531 VanDerWaalsContact O-N 3.15Å; E529-L531 VanDerWaalsContact C-N 3.29Å; E529-L531 PolarHBondContact O-N 3.07Å; L531-R535 WeakPolarHBondContact O-CD 3.49Å; L531-R535 WeakPolarHBondContact O-CG 3.26Å
532	A	61	Low	51.4	Low	53 Å²	53	124.9 Å²	124.9	44%	0.438	62%	0.616	S	S	.	*	H	α-helix	trans	-69	-50.5	170	0	0	0	0	0	110.6	A528 E529 R534 R535 E536	A528-A532 WeakPolarHBondContact O-CB 3.32Å; A528-A532 PolarHBondContact O-N 3.03Å; E529-A532 PolarHBondContact O-N 3.26Å; A532-R534 PolarHBondContact O-N 3.21Å; A532-R535 WeakPolarHBondContact O-CB 3.44Å; A532-R535 PolarHBondContact O-N 3.28Å; A532-E536 PolarHBondContact O-N 3.12Å
533	K	63.3	Low	52.1	Low	135 Å²	135	125.6 Å²	125.6	59%	0.587	62%	0.62	S	S	*	*	H	α-helix	trans	-60	-43.7	-176.5	-168	172.5	-179	176.7	0	113	E529 E530 R535 E536 E537	E529-K533 WeakPolarHBondContact O-CB 3.48Å; E529-K533 PolarHBondContact O-N 2.83Å; E530-K533 PolarHBondContact O-N 3.18Å; K533-R535 VanDerWaalsContact C-N 3.28Å; K533-R535 PolarHBondContact O-N 2.9Å; K533-E536 PolarHBondContact O-N 2.67Å; K533-E536 VanDerWaalsContact O-N 3.14Å; K533-E537 PolarHBondContact O-N 3.41Å; K533-E537 VanDerWaalsContact O-N 3.11Å
534	R	57.1	Low	52.1	Low	147 Å²	147	127.5 Å²	127.5	56%	0.555	63%	0.628	S	S	*	*	H	α-helix	trans	-60.9	-33.2	175	-74.8	-168.4	-180	-176.6	5.8	113.3	E530 A532 E536 E537 E538	E530-R534 PolarHBondContact O-N 3.33Å; A532-R534 PolarHBondContact O-N 3.21Å; R534-E536 VanDerWaalsContact C-N 3.28Å; R534-E536 PolarHBondContact O-N 3.2Å; R534-E537 PolarHBondContact O-N 2.81Å; R534-E538 WeakPolarHBondContact O-CB 3.38Å; R534-E538 WeakPolarHBondContact O-CG 3.14Å; R534-E538 PolarHBondContact O-N 2.87Å
535	R	59.8	Low	51.9	Low	176 Å²	176	125.9 Å²	125.9	66%	0.664	63%	0.634	S	S	*	*	H	α-helix	trans	-69.9	-21.6	177.3	-71.1	172.5	-178.6	-176.8	2.6	113.5	L531 A532 K533 K539	L531-R535 WeakPolarHBondContact O-CD 3.49Å; L531-R535 WeakPolarHBondContact O-CG 3.26Å; A532-R535 WeakPolarHBondContact O-CB 3.44Å; A532-R535 PolarHBondContact O-N 3.28Å; K533-R535 VanDerWaalsContact C-N 3.28Å; K533-R535 PolarHBondContact O-N 2.9Å; R535-K539 VanDerWaalsContact O-CG 3.31Å; R535-K539 WeakPolarHBondContact O-CG 3.46Å
536	E	58.3	Low	52	Low	141 Å²	141	124.9 Å²	124.9	66%	0.659	63%	0.634	S	S	*	*	H	α-helix	trans	-86.5	-38	172.9	-62.2	-169.3	130	0	0	111.5	A532 K533 R534 E538 K539 S540	A532-E536 PolarHBondContact O-N 3.12Å; K533-E536 PolarHBondContact O-N 2.67Å; K533-E536 VanDerWaalsContact O-N 3.14Å; R534-E536 VanDerWaalsContact C-N 3.28Å; R534-E536 PolarHBondContact O-N 3.2Å; E536-E538 VanDerWaalsContact C-N 3.28Å; E536-E538 PolarHBondContact O-N 2.76Å; E536-K539 PolarHBondContact O-N 2.9Å; E536-S540 PolarHBondContact O-N 3.42Å; E536-S540 PolarHBondContact O-OG 3.36Å
537	E	56.2	Low	51.8	Low	92 Å²	92	131.3 Å²	131.3	43%	0.43	66%	0.659	S	S	.	*	H	α-helix	trans	-66.1	-25.3	173.1	-68.7	177.5	-167.7	0	0	113.5	K533 R534 S540 R541	K533-E537 PolarHBondContact O-N 3.41Å; K533-E537 VanDerWaalsContact O-N 3.11Å; R534-E537 PolarHBondContact O-N 2.81Å; E537-S540 PolarHBondContact O-OG 3.26Å; E537-R541 PolarHBondContact O-NE 2.83Å
538	E	52	Low	50.6	Low	144 Å²	144	135.5 Å²	135.5	67%	0.673	68%	0.682	S	S	*	*	H	α-helix	trans	-81.6	-32.9	172.7	-75.7	-177.1	149.9	0	0	113	R534 E536 S540	R534-E538 WeakPolarHBondContact O-CB 3.38Å; R534-E538 WeakPolarHBondContact O-CG 3.14Å; R534-E538 PolarHBondContact O-N 2.87Å; E536-E538 VanDerWaalsContact C-N 3.28Å; E536-E538 PolarHBondContact O-N 2.76Å; E538-S540 PolarHBondContact O-N 2.95Å
539	K	52.8	Low	50	Low	186 Å²	186	136.4 Å²	136.4	81%	0.809	68%	0.681	S	S	*	*	H	α-helix	trans	-70.3	-16.7	178	-82	177.3	178.1	-177.9	0	114.5	R535 E536	R535-K539 VanDerWaalsContact O-CG 3.31Å; R535-K539 WeakPolarHBondContact O-CG 3.46Å; E536-K539 PolarHBondContact O-N 2.9Å
540	S	47.7	Very low	49.4	Very low	89 Å²	89	139.8 Å²	139.8	62%	0.622	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	4.8	-171.7	44.2	0	0	0	0	114.4	E536 E537 E538	E536-S540 PolarHBondContact O-N 3.42Å; E536-S540 PolarHBondContact O-OG 3.36Å; E537-S540 PolarHBondContact O-OG 3.26Å; E538-S540 PolarHBondContact O-N 2.95Å
541	R	48	Very low	49	Very low	187 Å²	187	140.6 Å²	140.6	71%	0.706	70%	0.701	S	S	*	*	S	Bend	trans	-97.1	128.7	-179.2	-65	-179.1	-176.4	-157.8	-2.7	112	E537	E537-R541 PolarHBondContact O-NE 2.83Å
542	P	38.6	Very low	48	Very low	117 Å²	117	142.6 Å²	142.6	76%	0.76	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-68.2	143.8	176.3	28.4	-34.3	0	0	0	111.5	K544	P542-K544 PolarHBondContact O-N 3.09Å
543	V	48.3	Very low	47.3	Very low	144 Å²	144	149.8 Å²	149.8	87%	0.873	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-61.2	124.9	-173.7	-179.6	0	0	0	0	111.2
544	K	37.8	Very low	46.7	Very low	189 Å²	189	146.4 Å²	146.4	82%	0.822	73%	0.732	S	S	*	*			trans	-110.2	142.9	160.5	-69.2	-171.8	176.3	-175.8	0	108.7	P542 L546	P542-K544 PolarHBondContact O-N 3.09Å; K544-L546 PolarHBondContact O-N 3.1Å
545	S	37.4	Very low	46.8	Very low	117 Å²	117	145.2 Å²	145.2	82%	0.818	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-48.1	125.9	-167	51.6	0	0	0	0	113.7	K547	S545-K547 PolarHBondContact O-N 2.58Å
546	L	40.7	Very low	47.2	Very low	164 Å²	164	140.6 Å²	140.6	86%	0.859	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-58.9	130.5	174.2	-83.4	161.8	0	0	0	110.6	K544	K544-L546 PolarHBondContact O-N 3.1Å
547	K	46	Very low	48.3	Very low	196 Å²	196	138.4 Å²	138.4	85%	0.852	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-66.2	136.9	162.7	-71.9	176.4	177	174.2	0	108.1	S545	S545-K547 PolarHBondContact O-N 2.58Å
548	V	38.4	Very low	49.5	Very low	136 Å²	136	135.8 Å²	135.8	82%	0.824	71%	0.714	S	S	*	*			trans	-43.5	121.2	179.4	-180	0	0	0	0	110.6	R550	V548-R550 PolarHBondContact O-N 3.32Å
549	P	39.5	Very low	51	Low	106 Å²	106	132.8 Å²	132.8	69%	0.688	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-57.3	134.8	172.7	-23.5	33.9	0	0	0	109.8
550	R	43.3	Very low	52.7	Low	231 Å²	231	128 Å²	128	87%	0.872	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-65.7	136.6	163.8	-71.2	-179.4	178.7	150.8	2.6	107.3	V548 T552	V548-R550 PolarHBondContact O-N 3.32Å; R550-T552 PolarHBondContact O-N 2.76Å; R550-T552 VanDerWaalsContact O-N 3.16Å
551	P	42.8	Very low	54.7	Low	115 Å²	115	126.6 Å²	126.6	75%	0.747	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-56.8	126.4	174	24	-33	0	0	0	108.8	K553	P551-K553 PolarHBondContact O-N 3.33Å
552	T	39.2	Very low	56.8	Low	130 Å²	130	117.9 Å²	117.9	80%	0.798	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-52.3	132.1	165.7	-50.6	0	0	0	0	107	R550 S554	R550-T552 PolarHBondContact O-N 2.76Å; R550-T552 VanDerWaalsContact O-N 3.16Å; T552-S554 PolarHBondContact O-N 2.61Å
553	K	45.6	Very low	59.4	Low	204 Å²	204	116.7 Å²	116.7	89%	0.887	62%	0.624	S	S	*	*			trans	-59.7	107.9	173.9	-77.5	-172.5	175.6	-175.4	0	107.6	P551	P551-K553 PolarHBondContact O-N 3.33Å
554	S	51.1	Low	61.4	Low	64 Å²	64	110.4 Å²	110.4	45%	0.448	59%	0.587	S	S	.	*			trans	-66.1	138	-174.6	85.9	0	0	0	0	108.5	T552 F556	T552-S554 PolarHBondContact O-N 2.61Å; S554-F556 PolarHBondContact O-N 2.69Å
555	S	58.6	Low	64	Low	121 Å²	121	104.3 Å²	104.3	85%	0.846	56%	0.563	S	S	*	*			trans	-92.3	24.5	-176.7	58	0	0	0	0	112.4
556	F	68.4	Low	66.5	Low	79 Å²	79	106.1 Å²	106.1	35%	0.346	56%	0.556	S	S	.	*	S	Bend	trans	-89.3	150.4	-173.7	-65.2	-106.1	0	0	0	110.2	S554 P558 L667 D718	S554-F556 PolarHBondContact O-N 2.69Å; F556-P558 WeakPolarHBondContact O-CD 3.42Å; F556-L667 HydrophobicContact CB-CD1 3.73Å; F556-L667 HydrophobicContact CG-CD1 4.46Å; F556-D718 VanDerWaalsContact CZ-OD2 3.32Å; F556-D718 WeakPolarHBondContact CZ-OD2 3.35Å
557	D	81	Confident	68.7	Low	95 Å²	95	100.1 Å²	100.1	51%	0.508	52%	0.523	S	S	.	.			trans	-69.3	122	171.3	-169.8	-27.8	0	0	0	109	F559 Q560	D557-F559 PolarHBondContact O-N 2.83Å; D557-F559 WeakPolarHBondContact OD1-CD2 3.27Å; D557-F559 PolarHBondContact OD1-N 3.4Å; D557-Q560 HydrophobicContact CB-CB 4.47Å; D557-Q560 VanDerWaalsContact O-CB 3.25Å; D557-Q560 WeakPolarHBondContact O-CB 3.19Å; D557-Q560 PolarHBondContact O-N 3.03Å
558	P	82.3	Confident	70.6	Confident	37 Å²	37	93.3 Å²	93.3	24%	0.24	50%	0.501	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-19.4	178.7	-23	34	0	0	0	114.7	F556 L667 R668	F556-P558 WeakPolarHBondContact O-CD 3.42Å; P558-L667 WeakPolarHBondContact O-CB 3.23Å; P558-L667 PolarHBondContact O-N 2.97Å; P558-R668 HydrophobicContact CB-CG 3.74Å; P558-R668 VanDerWaalsContact CB-CZ 3.43Å; P558-R668 WeakPolarHBondContact O-CG 3.41Å; P558-R668 PolarHBondContact O-N 3.34Å
559	F	83.8	Confident	72.3	Confident	82 Å²	82	95.7 Å²	95.7	36%	0.36	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	3.3	178.4	-54.6	-70.8	0	0	0	113.2	D557 L561 L628 R668	D557-F559 PolarHBondContact O-N 2.83Å; D557-F559 WeakPolarHBondContact OD1-CD2 3.27Å; D557-F559 PolarHBondContact OD1-N 3.4Å; F559-L561 PolarHBondContact O-N 3.3Å; F559-L628 WeakPolarHBondContact CE1-O 2.98Å; F559-L628 HydrophobicContact CE2-CB 4.28Å; F559-L628 HydrophobicContact CZ-CB 3.97Å; F559-L628 VanDerWaalsContact CZ-O 3.31Å; F559-L628 WeakPolarHBondContact CZ-O 3.23Å; F559-R668 HydrophobicContact CD1-CG 4.49Å; F559-R668 HydrophobicContact CE1-CG 4.2Å
560	Q	88	Confident	73.9	Confident	85 Å²	85	99.8 Å²	99.8	40%	0.397	51%	0.513	S	S	.	.			trans	-60.3	121	172.2	-179	176.6	-12.1	0	0	110.5	D557 I562 S666 L667	D557-Q560 HydrophobicContact CB-CB 4.47Å; D557-Q560 VanDerWaalsContact O-CB 3.25Å; D557-Q560 WeakPolarHBondContact O-CB 3.19Å; D557-Q560 PolarHBondContact O-N 3.03Å; Q560-I562 HydrophobicContact CG-CD1 4.2Å; Q560-S666 CarbonylContact O-C 3.43Å; Q560-S666 WeakPolarHBondContact O-CA 3.3Å; Q560-L667 HydrophobicContact CB-CD1 4.31Å; Q560-L667 PolarHBondContact O-N 3.21Å; Q560-L667 VanDerWaalsContact O-N 3.07Å
561	L	90.8	Very high	75.6	Confident	59 Å²	59	90.9 Å²	90.9	31%	0.309	48%	0.48	S	S	.	.	B	Isolated β-bridge	trans	-71.6	134.8	174	-50.8	-177.5	0	0	0	110.3	F559 F661 N664	F559-L561 PolarHBondContact O-N 3.3Å; L561-F661 HydrophobicContact CD1-CD2 3.83Å; L561-F661 HydrophobicContact CD1-CE2 4.49Å; L561-F661 HydrophobicContact CD2-CD2 4.47Å; L561-F661 HydrophobicContact CD2-CE2 4.35Å; L561-N664 HydrophobicContact CB-CB 4.45Å
562	I	91.6	Very high	77.4	Confident	5 Å²	5	91.9 Å²	91.9	3%	0.026	48%	0.475	C	S	.	.			trans	-116.8	119.3	-179.1	-57.7	-58	0	0	0	108.3	Q560 C564 P665 L667 I670 Y721 P724	Q560-I562 HydrophobicContact CG-CD1 4.2Å; I562-C564 PolarHBondContact O-N 3.3Å; I562-P665 PolarHBondContact N-O 3.45Å; I562-P665 WeakPolarHBondContact O-CD 3.24Å; I562-L667 HydrophobicContact CD1-CD2 3.93Å; I562-L667 HydrophobicContact CD1-CG 4.15Å; I562-L667 HydrophobicContact CG1-CD2 3.68Å; I562-L667 HydrophobicContact CG1-CG 4Å; I562-I670 HydrophobicContact CB-CD1 3.76Å; I562-I670 HydrophobicContact CG1-CD1 3.76Å; I562-I670 HydrophobicContact CG2-CD1 4Å; I562-Y721 HydrophobicContact CD1-CE1 4.14Å; I562-Y721 HydrophobicContact CD1-CE2 4.5Å; I562-Y721 HydrophobicContact CG1-CE2 4.47Å; I562-Y721 HydrophobicContact CG2-CD2 4.21Å; I562-Y721 HydrophobicContact CG2-CE2 3.54Å; I562-P724 HydrophobicContact CG2-CG 3.91Å
563	P	92.4	Very high	79.7	Confident	91 Å²	91	88.6 Å²	88.6	59%	0.591	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-56.1	137	175	-25.7	35.1	0	0	0	112.2
564	C	91.8	Very high	81.6	Confident	12 Å²	12	82 Å²	82	8%	0.081	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-71.7	137	171.9	-68.4	0	0	0	0	111.5	I562 P665 K726	I562-C564 PolarHBondContact O-N 3.3Å; C564-P665 WeakPolarHBondContact SG-CD 3.44Å; C564-K726 HydrophobicContact CB-CB 3.63Å
565	N	91.7	Very high	83.6	Confident	62 Å²	62	79.6 Å²	79.6	33%	0.332	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	153.1	162.3	-71.9	-3.8	0	0	0	109.9	P724 Y725 K726	N565-P724 PolarHBondContact N-O 3.07Å; N565-Y725 HydrophobicContact CB-CD1 3.77Å; N565-Y725 HydrophobicContact CB-CD2 4.23Å; N565-Y725 HydrophobicContact CB-CE1 3.52Å; N565-Y725 HydrophobicContact CB-CE2 4.01Å; N565-Y725 HydrophobicContact CB-CG 4.11Å; N565-Y725 PolarHBondContact ND2-OH 2.92Å; N565-Y725 CarbonylContact O-C 3.51Å; N565-Y725 VanDerWaalsContact O-CA 3.32Å; N565-Y725 WeakPolarHBondContact O-CA 3.25Å; N565-K726 PolarHBondContact O-N 3.33Å
566	F	88.9	Confident	85.3	Confident	154 Å²	154	76.8 Å²	76.8	68%	0.675	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	154.3	169.2	-63.7	-89.6	0	0	0	110.1	Y725 K726	F566-Y725 WeakPolarHBondContact O-CE1 3.49Å; F566-K726 HydrophobicContact CE1-CD 4.23Å
567	F	88.3	Confident	86.6	Confident	38 Å²	38	73 Å²	73	17%	0.167	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-71.2	153.9	165	-63.9	-75.5	0	0	0	110.1	K571 E573 P574 V710 Y725 K726 F727	F567-K571 WeakPolarHBondContact CA-O 3.23Å; F567-K571 WeakPolarHBondContact CB-O 3.47Å; F567-K571 HydrophobicContact CD1-CG 4.47Å; F567-K571 WeakPolarHBondContact CD1-O 3.49Å; F567-E573 HydrophobicContact CB-CG 3.96Å; F567-E573 HydrophobicContact CD1-CG 4.46Å; F567-E573 HydrophobicContact CD2-CB 4.4Å; F567-E573 HydrophobicContact CD2-CG 3.64Å; F567-E573 HydrophobicContact CE2-CG 4.22Å; F567-E573 HydrophobicContact CG-CB 4.42Å; F567-E573 HydrophobicContact CG-CG 3.77Å; F567-P574 HydrophobicContact CZ-CG 4.43Å; F567-V710 HydrophobicContact CZ-CG1 3.81Å; F567-Y725 AromaticContact CD1-CD1 3.88Å; F567-Y725 HydrophobicContact CD1-CD1 3.88Å; F567-Y725 AromaticContact CE1-CD1 3.84Å; F567-Y725 HydrophobicContact CE1-CD1 3.84Å; F567-Y725 HydrophobicContact CE1-CG 4.09Å; F567-Y725 HydrophobicContact CG-CD1 4.34Å; F567-Y725 HydrophobicContact CZ-CD1 4.28Å; F567-Y725 HydrophobicContact CZ-CG 4.23Å; F567-K726 VanDerWaalsContact CD2-O 3.25Å; F567-K726 WeakPolarHBondContact CD2-O 3.37Å; F567-K726 WeakPolarHBondContact CE2-O 3.29Å; F567-F727 HydrophobicContact CD2-CD1 4.45Å; F567-F727 AromaticContact CE2-CD1 3.66Å; F567-F727 HydrophobicContact CE2-CD1 3.66Å; F567-F727 AromaticContact CE2-CE1 3.9Å; F567-F727 HydrophobicContact CE2-CE1 3.9Å; F567-F727 HydrophobicContact CE2-CG 4.04Å; F567-F727 HydrophobicContact CE2-CZ 4.48Å; F567-F727 HydrophobicContact CZ-CD1 4.29Å; F567-F727 HydrophobicContact CZ-CE1 4.05Å; F567-F727 HydrophobicContact CZ-CZ 4.41Å
568	S	84.7	Confident	87.3	Confident	54 Å²	54	71.3 Å²	71.3	38%	0.378	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-143.2	173.8	-174.2	69.2	0	0	0	0	110.7	E570 K571 Q572	S568-E570 PolarHBondContact O-N 3.41Å; S568-E570 PolarHBondContact OG-N 3.06Å; S568-K571 PolarHBondContact N-O 3.23Å; S568-K571 CarbonylContact O-C 3.59Å; S568-K571 PolarHBondContact O-N 3.01Å; S568-K571 PolarHBondContact OG-N 3.03Å; S568-Q572 PolarHBondContact O-N 2.87Å
569	E	74	Confident	88	Confident	186 Å²	186	69.6 Å²	69.6	87%	0.869	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-37.7	175.1	-65.4	-172.8	165.3	0	0	112.2	K571 Q572	E569-K571 VanDerWaalsContact C-N 3.34Å; E569-Q572 PolarHBondContact O-NE2 2.75Å
570	E	74.4	Confident	88.6	Confident	191 Å²	191	66 Å²	66	89%	0.893	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-28.5	175.2	-56.9	-178.6	153.3	0	0	113.3	S568	S568-E570 PolarHBondContact O-N 3.41Å; S568-E570 PolarHBondContact OG-N 3.06Å
571	K	78.5	Confident	88.9	Confident	44 Å²	44	62 Å²	62	19%	0.191	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-138.4	85.5	-176.7	-175.9	165.5	172.4	167.9	0	110.7	F567 S568 E569 S712 E714 Y725	F567-K571 WeakPolarHBondContact CA-O 3.23Å; F567-K571 WeakPolarHBondContact CB-O 3.47Å; F567-K571 HydrophobicContact CD1-CG 4.47Å; F567-K571 WeakPolarHBondContact CD1-O 3.49Å; S568-K571 PolarHBondContact N-O 3.23Å; S568-K571 CarbonylContact O-C 3.59Å; S568-K571 PolarHBondContact O-N 3.01Å; S568-K571 PolarHBondContact OG-N 3.03Å; E569-K571 VanDerWaalsContact C-N 3.34Å; K571-S712 PolarHBondContact NZ-OG 3.08Å; K571-S712 VanDerWaalsContact NZ-OG 3.15Å; K571-E714 IonicContact NZ-OE1 2.81Å; K571-E714 PolarHBondContact NZ-OE1 2.69Å; K571-E714 IonicContact NZ-OE2 2.76Å; K571-E714 PolarHBondContact NZ-OE2 2.93Å; K571-Y725 HydrophobicContact CD-CE1 3.79Å; K571-Y725 VanDerWaalsContact CE-CZ 3.43Å; K571-Y725 PolarHBondContact NZ-OH 3.37Å
572	Q	80.8	Confident	89.1	Confident	137 Å²	137	59.9 Å²	59.9	64%	0.64	30%	0.299	S	S	*	.			trans	-60.6	156.1	178.4	-61.3	-65.6	-41.1	0	0	112.9	S568 E569	S568-Q572 PolarHBondContact O-N 2.87Å; E569-Q572 PolarHBondContact O-NE2 2.75Å
573	E	86.6	Confident	89.4	Confident	61 Å²	61	59.6 Å²	59.6	29%	0.285	30%	0.298	S	S	.	.			trans	-62.7	135.9	171.8	-55.1	-154.8	133.6	0	0	110.7	F567 F575 F727 E728	F567-E573 HydrophobicContact CB-CG 3.96Å; F567-E573 HydrophobicContact CD1-CG 4.46Å; F567-E573 HydrophobicContact CD2-CB 4.4Å; F567-E573 HydrophobicContact CD2-CG 3.64Å; F567-E573 HydrophobicContact CE2-CG 4.22Å; F567-E573 HydrophobicContact CG-CB 4.42Å; F567-E573 HydrophobicContact CG-CG 3.77Å; E573-F575 PolarHBondContact O-N 2.79Å; E573-F727 HydrophobicContact CB-CD1 4.47Å; E573-F727 HydrophobicContact CB-CE1 4.49Å; E573-F727 HydrophobicContact CG-CD1 4.47Å; E573-F727 WeakPolarHBondContact OE1-CA 3.3Å; E573-E728 PolarHBondContact OE1-N 2.8Å
574	P	86.6	Confident	89.6	Confident	65 Å²	65	56.1 Å²	56.1	42%	0.422	27%	0.274	S	S	.	.	S	Bend	trans	-69.9	-22.8	-180	28.3	-36.2	0	0	0	113.3	F567 F727	F567-P574 HydrophobicContact CZ-CG 4.43Å; P574-F727 HydrophobicContact CG-CE1 4.06Å; P574-F727 HydrophobicContact CG-CZ 4.15Å
575	F	91.9	Very high	89.8	Confident	13 Å²	13	55.6 Å²	55.6	6%	0.057	27%	0.271	C	S	.	.	S	Bend	trans	-165.3	150.3	175.6	49.1	-95.4	0	0	0	107.7	E573 V577 Y606 K611 V613 K686 I688 F727	E573-F575 PolarHBondContact O-N 2.79Å; F575-V577 HydrophobicContact CD2-CG2 3.96Å; F575-V577 HydrophobicContact CE2-CG2 3.79Å; F575-Y606 HydrophobicContact CB-CE2 4.5Å; F575-K611 CarbonylContact C-O 3.58Å; F575-K611 WeakPolarHBondContact CA-O 3.22Å; F575-K611 HydrophobicContact CB-CB 4.32Å; F575-K611 WeakPolarHBondContact CB-O 3.3Å; F575-V613 HydrophobicContact CD2-CB 4.04Å; F575-V613 HydrophobicContact CD2-CG2 3.4Å; F575-V613 VanDerWaalsContact CD2-CG2 3.4Å; F575-V613 HydrophobicContact CE2-CB 4.24Å; F575-V613 HydrophobicContact CE2-CG2 3.62Å; F575-V613 HydrophobicContact CG-CG2 4.03Å; F575-V613 HydrophobicContact CZ-CG2 4.39Å; F575-K686 HydrophobicContact CD1-CB 4.27Å; F575-K686 HydrophobicContact CD1-CD 3.99Å; F575-K686 HydrophobicContact CD1-CG 3.77Å; F575-K686 HydrophobicContact CE1-CB 3.82Å; F575-K686 HydrophobicContact CE1-CD 3.91Å; F575-K686 HydrophobicContact CE1-CG 3.76Å; F575-K686 HydrophobicContact CE2-CB 4.4Å; F575-K686 HydrophobicContact CG-CG 4.32Å; F575-K686 HydrophobicContact CZ-CB 3.88Å; F575-K686 HydrophobicContact CZ-CG 4.3Å; F575-I688 HydrophobicContact CE2-CG2 3.79Å; F575-I688 HydrophobicContact CZ-CG2 3.91Å; F575-F727 HydrophobicContact CD2-CE1 4.07Å; F575-F727 HydrophobicContact CD2-CZ 4.03Å; F575-F727 HydrophobicContact CE1-CZ 4.22Å; F575-F727 AromaticContact CE2-CE1 3.88Å; F575-F727 HydrophobicContact CE2-CE1 3.88Å; F575-F727 HydrophobicContact CE2-CE2 4.04Å; F575-F727 AromaticContact CE2-CZ 3.37Å; F575-F727 HydrophobicContact CE2-CZ 3.37Å; F575-F727 HydrophobicContact CZ-CE1 4.3Å; F575-F727 HydrophobicContact CZ-CE2 4.2Å; F575-F727 AromaticContact CZ-CZ 3.49Å; F575-F727 HydrophobicContact CZ-CZ 3.49Å; F575-F727 VanDerWaalsContact CZ-CZ 3.49Å; F575-F727 VanDerWaalsContact O-CE1 3.24Å; F575-F727 WeakPolarHBondContact O-CE1 3.35Å
576	Q	93.9	Very high	90	Very high	63 Å²	63	52.8 Å²	52.8	29%	0.294	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	142.7	174.2	178.3	176.3	78.8	0	0	110.1	K611 V612 V613	Q576-K611 PolarHBondContact N-O 3.07Å; Q576-V612 HydrophobicContact CB-CG2 4.38Å; Q576-V612 WeakPolarHBondContact O-CA 3.26Å; Q576-V613 PolarHBondContact O-N 3.01Å
577	V	96.3	Very high	90.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	119.4	175.7	-178.1	0	0	0	0	110.9	F575 V579 I688 F727 Q730	F575-V577 HydrophobicContact CD2-CG2 3.96Å; F575-V577 HydrophobicContact CE2-CG2 3.79Å; V577-V579 HydrophobicContact CG1-CG2 4.05Å; V577-I688 HydrophobicContact CG1-CD1 4.13Å; V577-I688 HydrophobicContact CG2-CG2 4.5Å; V577-F727 HydrophobicContact CG2-CB 4.24Å; V577-F727 HydrophobicContact CG2-CD1 3.81Å; V577-F727 HydrophobicContact CG2-CD2 3.88Å; V577-F727 HydrophobicContact CG2-CE1 4.04Å; V577-F727 HydrophobicContact CG2-CE2 4.06Å; V577-F727 HydrophobicContact CG2-CG 3.73Å; V577-F727 HydrophobicContact CG2-CZ 4.15Å; V577-Q730 PolarHBondContact O-N 3.25Å
578	K	96.4	Very high	90.8	Very high	59 Å²	59	44 Å²	44	26%	0.257	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	139.2	171.2	-62.2	-177.2	-169.2	169.7	0	109.8	V612 V613 E614 V615 Q730 M732	K578-V612 HydrophobicContact CB-CG1 4.39Å; K578-V612 HydrophobicContact CD-CG1 3.7Å; K578-V612 HydrophobicContact CG-CG1 3.88Å; K578-V613 PolarHBondContact N-O 3.02Å; K578-E614 CarbonylContact O-C 3.51Å; K578-E614 WeakPolarHBondContact O-CA 3.4Å; K578-V615 PolarHBondContact O-N 3.38Å; K578-Q730 CarbonylContact C-O 3.45Å; K578-Q730 VanDerWaalsContact CA-O 3.28Å; K578-Q730 WeakPolarHBondContact CA-O 3.25Å; K578-Q730 HydrophobicContact CG-CB 4.31Å; K578-M732 HydrophobicContact CB-CG 3.8Å; K578-M732 HydrophobicContact CB-SD 4.27Å
579	V	97.1	Very high	91.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	130	-178.6	-174.2	0	0	0	0	110.3	V577 A583 L584 M587 V615 M690 V729 Q730 Q731 M732	V577-V579 HydrophobicContact CG1-CG2 4.05Å; V579-A583 HydrophobicContact CG1-CB 4Å; V579-L584 HydrophobicContact CB-CG 4.45Å; V579-L584 HydrophobicContact CG1-CD1 4.44Å; V579-L584 HydrophobicContact CG1-CD2 3.89Å; V579-L584 HydrophobicContact CG1-CG 3.74Å; V579-M587 HydrophobicContact CG1-CE 4.13Å; V579-V615 HydrophobicContact CB-CB 4.29Å; V579-V615 HydrophobicContact CG1-CB 4.05Å; V579-V615 HydrophobicContact CG1-CG1 4.24Å; V579-V615 HydrophobicContact CG2-CB 4Å; V579-V615 HydrophobicContact CG2-CG2 4.04Å; V579-M690 HydrophobicContact CG2-CE 4.34Å; V579-M690 HydrophobicContact CG2-SD 4.44Å; V579-V729 HydrophobicContact CB-CG1 4.06Å; V579-V729 HydrophobicContact CG2-CG1 3.5Å; V579-Q730 PolarHBondContact N-O 3.11Å; V579-Q731 WeakPolarHBondContact O-CA 3.19Å; V579-M732 PolarHBondContact O-N 3.07Å
580	A	96.1	Very high	92.4	Very high	7 Å²	7	32.5 Å²	32.5	6%	0.058	16%	0.158	C	C	.	.			trans	-72.2	149.4	176.7	0	0	0	0	0	112.1	E582 A583 L584 V615 M732	A580-E582 PolarHBondContact O-N 3.43Å; A580-A583 PolarHBondContact O-N 3.3Å; A580-A583 VanDerWaalsContact O-N 3.12Å; A580-L584 PolarHBondContact O-N 3.36Å; A580-L584 VanDerWaalsContact O-N 3.16Å; A580-V615 WeakPolarHBondContact CB-O 3.23Å; A580-V615 PolarHBondContact N-O 2.84Å; A580-M732 HydrophobicContact CB-SD 4.04Å
581	S	94.9	Very high	93.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-58.9	-36.6	177.8	-60	0	0	0	0	112.1	A583 L584 L585 Q731 V788	S581-A583 PolarHBondContact O-N 3.23Å; S581-L584 PolarHBondContact O-N 2.77Å; S581-L585 WeakPolarHBondContact O-CB 3.39Å; S581-L585 WeakPolarHBondContact O-CD1 3.36Å; S581-L585 WeakPolarHBondContact O-CG 3.42Å; S581-L585 PolarHBondContact O-N 3.08Å; S581-Q731 PolarHBondContact OG-NE2 2.56Å; S581-V788 WeakPolarHBondContact OG-CG2 3.37Å
582	E	94.9	Very high	94.3	Very high	15 Å²	15	21.4 Å²	21.4	7%	0.07	11%	0.107	C	C	.	.	H	α-helix	trans	-52.5	-52.7	172.2	169.1	174.1	143.5	0	0	112.2	A580 L584 L585 I586 R647 P736 V741	A580-E582 PolarHBondContact O-N 3.43Å; E582-L584 PolarHBondContact O-N 3.06Å; E582-L585 PolarHBondContact O-N 3.05Å; E582-I586 WeakPolarHBondContact O-CG1 3.49Å; E582-I586 PolarHBondContact O-N 3.3Å; E582-I586 VanDerWaalsContact O-N 3.1Å; E582-R647 VanDerWaalsContact CD-NH2 3.35Å; E582-R647 IonicContact OE1-CZ 3.23Å; E582-R647 IonicContact OE1-NH1 3.41Å; E582-R647 PolarHBondContact OE1-NH1 2.91Å; E582-R647 IonicContact OE1-NH2 2.73Å; E582-R647 PolarHBondContact OE1-NH2 3.32Å; E582-R647 IonicContact OE2-NH2 2.88Å; E582-R647 PolarHBondContact OE2-NH2 3.07Å; E582-R647 VanDerWaalsContact OE2-NH2 3.17Å; E582-P736 HydrophobicContact CB-CB 4.09Å; E582-V741 HydrophobicContact CB-CG2 4.23Å; E582-V741 HydrophobicContact CG-CG2 3.94Å
583	A	96.8	Very high	94.9	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-63.9	-41.4	-178.8	0	0	0	0	0	111.6	V579 A580 S581 M587 V615 A618	V579-A583 HydrophobicContact CG1-CB 4Å; A580-A583 PolarHBondContact O-N 3.3Å; A580-A583 VanDerWaalsContact O-N 3.12Å; S581-A583 PolarHBondContact O-N 3.23Å; A583-M587 HydrophobicContact CB-CE 4.19Å; A583-M587 WeakPolarHBondContact O-CB 3.31Å; A583-M587 WeakPolarHBondContact O-CE 3.36Å; A583-M587 VanDerWaalsContact O-CG 3.23Å; A583-M587 WeakPolarHBondContact O-CG 3.36Å; A583-M587 PolarHBondContact O-N 3.1Å; A583-V615 HydrophobicContact CB-CG1 4.02Å; A583-A618 HydrophobicContact CB-CB 4.09Å
584	L	96.4	Very high	95.2	Very high	18 Å²	18	12.2 Å²	12.2	9%	0.094	6%	0.064	C	C	.	.	H	α-helix	trans	-61.2	-47.8	176.8	-69.8	170	0	0	0	112.2	V579 A580 S581 E582 I586 M587 D588 I706 Q731 T784	V579-L584 HydrophobicContact CB-CG 4.45Å; V579-L584 HydrophobicContact CG1-CD1 4.44Å; V579-L584 HydrophobicContact CG1-CD2 3.89Å; V579-L584 HydrophobicContact CG1-CG 3.74Å; A580-L584 PolarHBondContact O-N 3.36Å; A580-L584 VanDerWaalsContact O-N 3.16Å; S581-L584 PolarHBondContact O-N 2.77Å; E582-L584 PolarHBondContact O-N 3.06Å; L584-I586 PolarHBondContact O-N 3Å; L584-M587 HydrophobicContact CD2-CE 4.19Å; L584-M587 PolarHBondContact O-N 3.06Å; L584-D588 VanDerWaalsContact O-CB 3.31Å; L584-D588 WeakPolarHBondContact O-CB 3.47Å; L584-D588 PolarHBondContact O-N 3.38Å; L584-I706 HydrophobicContact CD2-CD1 4Å; L584-Q731 HydrophobicContact CD1-CG 3.91Å; L584-T784 HydrophobicContact CB-CG2 3.8Å; L584-T784 HydrophobicContact CD1-CG2 4.04Å
585	L	96.1	Very high	95.4	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-61.8	-44.5	-179.7	-67.3	165.2	0	0	0	111.7	S581 E582 L589 P736 V741 M781 T784 L785	S581-L585 WeakPolarHBondContact O-CB 3.39Å; S581-L585 WeakPolarHBondContact O-CD1 3.36Å; S581-L585 WeakPolarHBondContact O-CG 3.42Å; S581-L585 PolarHBondContact O-N 3.08Å; E582-L585 PolarHBondContact O-N 3.05Å; L585-L589 WeakPolarHBondContact O-CB 3.27Å; L585-L589 PolarHBondContact O-N 3.33Å; L585-P736 HydrophobicContact CD1-CB 4.33Å; L585-P736 HydrophobicContact CD1-CG 4.28Å; L585-V741 HydrophobicContact CB-CG1 4.27Å; L585-V741 HydrophobicContact CD1-CG1 4.4Å; L585-M781 HydrophobicContact CB-CE 4.09Å; L585-M781 HydrophobicContact CD2-CB 3.69Å; L585-M781 HydrophobicContact CD2-CE 3.71Å; L585-M781 HydrophobicContact CD2-CG 3.81Å; L585-M781 HydrophobicContact CG-CE 4.43Å; L585-T784 HydrophobicContact CD2-CG2 4.12Å; L585-T784 HydrophobicContact CG-CG2 4.16Å; L585-L785 HydrophobicContact CD1-CD2 3.79Å; L585-L785 HydrophobicContact CD1-CG 4.4Å; L585-L785 HydrophobicContact CD2-CG 4.28Å
586	I	97.2	Very high	95.4	Very high	3 Å²	3	15 Å²	15	2%	0.015	8%	0.08	C	C	.	.	H	α-helix	trans	-71.1	-39.6	179.8	-66	-56.2	0	0	0	112.3	E582 L584 H590 A618 P620 V741 K744 I748	E582-I586 WeakPolarHBondContact O-CG1 3.49Å; E582-I586 PolarHBondContact O-N 3.3Å; E582-I586 VanDerWaalsContact O-N 3.1Å; L584-I586 PolarHBondContact O-N 3Å; I586-H590 WeakPolarHBondContact O-CB 3.29Å; I586-H590 PolarHBondContact O-N 3.17Å; I586-A618 HydrophobicContact CB-CB 4.44Å; I586-A618 HydrophobicContact CG2-CB 4.26Å; I586-A618 WeakPolarHBondContact CG2-O 3.33Å; I586-P620 HydrophobicContact CG2-CG 3.75Å; I586-V741 HydrophobicContact CD1-CG1 3.77Å; I586-V741 HydrophobicContact CG1-CG1 4.24Å; I586-K744 HydrophobicContact CD1-CB 3.59Å; I586-K744 HydrophobicContact CD1-CG 4.48Å; I586-K744 HydrophobicContact CG1-CB 4.45Å; I586-I748 HydrophobicContact CD1-CD1 4.4Å; I586-I748 HydrophobicContact CG2-CD1 4.25Å
587	M	97.4	Very high	95.3	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62.4	-46.8	174.6	-76.5	-170.5	-77.8	0	0	111.9	V579 A583 L584 H590 A591 L602 A618 Y655 M690 V692	V579-M587 HydrophobicContact CG1-CE 4.13Å; A583-M587 HydrophobicContact CB-CE 4.19Å; A583-M587 WeakPolarHBondContact O-CB 3.31Å; A583-M587 WeakPolarHBondContact O-CE 3.36Å; A583-M587 VanDerWaalsContact O-CG 3.23Å; A583-M587 WeakPolarHBondContact O-CG 3.36Å; A583-M587 PolarHBondContact O-N 3.1Å; L584-M587 HydrophobicContact CD2-CE 4.19Å; L584-M587 PolarHBondContact O-N 3.06Å; M587-H590 PolarHBondContact O-N 2.99Å; M587-A591 WeakPolarHBondContact O-CB 3.4Å; M587-A591 PolarHBondContact O-N 3.47Å; M587-L602 HydrophobicContact CE-CD2 4.4Å; M587-L602 HydrophobicContact CG-CD2 4.35Å; M587-L602 HydrophobicContact SD-CD2 3.71Å; M587-A618 HydrophobicContact CG-CB 3.72Å; M587-Y655 HydrophobicContact CB-CD2 4.04Å; M587-Y655 HydrophobicContact CB-CE2 4Å; M587-Y655 HydrophobicContact CG-CD1 3.89Å; M587-Y655 HydrophobicContact CG-CD2 3.6Å; M587-Y655 HydrophobicContact CG-CE1 4.04Å; M587-Y655 HydrophobicContact CG-CE2 3.75Å; M587-Y655 HydrophobicContact CG-CG 3.64Å; M587-Y655 HydrophobicContact SD-CD1 4.31Å; M587-Y655 HydrophobicContact SD-CD2 4.2Å; M587-Y655 HydrophobicContact SD-CG 3.85Å; M587-M690 HydrophobicContact CE-CE 3.74Å; M587-M690 HydrophobicContact CE-SD 3.9Å; M587-M690 HydrophobicContact SD-CB 4.25Å; M587-M690 HydrophobicContact SD-CE 4.15Å; M587-M690 HydrophobicContact SD-SD 4Å; M587-V692 HydrophobicContact CB-CG2 4.18Å
588	D	96.1	Very high	95.2	Very high	6 Å²	6	15 Å²	15	3%	0.032	8%	0.08	C	C	.	.	H	α-helix	trans	-73	-39.8	-175.4	-168	42.1	0	0	0	112.5	L584 A591 H592 S704 C780	L584-D588 VanDerWaalsContact O-CB 3.31Å; L584-D588 WeakPolarHBondContact O-CB 3.47Å; L584-D588 PolarHBondContact O-N 3.38Å; D588-A591 PolarHBondContact O-N 2.73Å; D588-H592 VanDerWaalsContact CG-CE1 3.47Å; D588-H592 PolarHBondContact O-N 3.49Å; D588-H592 PolarHBondContact O-ND1 2.97Å; D588-H592 IonicContact OD1-CE1 3.42Å; D588-H592 PolarHBondContact OD1-CE1 3.05Å; D588-H592 IonicContact OD1-ND1 3.59Å; D588-H592 PolarHBondContact OD1-ND1 2.88Å; D588-H592 IonicContact OD2-CE1 2.77Å; D588-H592 PolarHBondContact OD2-CE1 3Å; D588-H592 VanDerWaalsContact OD2-CE1 3.29Å; D588-H592 IonicContact OD2-ND1 4Å; D588-S704 WeakPolarHBondContact OD1-CB 3.26Å; D588-S704 PolarHBondContact OD1-OG 2.83Å; D588-C780 WeakPolarHBondContact OD2-CB 3.41Å
589	L	96.5	Very high	95.1	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-59.8	-47.8	170.6	173.7	66.5	0	0	0	111.7	L585 A591 H592 V593 T745 I748 L777 F805	L585-L589 WeakPolarHBondContact O-CB 3.27Å; L585-L589 PolarHBondContact O-N 3.33Å; L589-A591 PolarHBondContact O-N 2.73Å; L589-H592 PolarHBondContact O-N 3.08Å; L589-H592 VanDerWaalsContact O-N 3.16Å; L589-V593 HydrophobicContact CD1-CG1 4.19Å; L589-V593 PolarHBondContact O-N 2.86Å; L589-T745 HydrophobicContact CD2-CG2 3.58Å; L589-T745 VanDerWaalsContact CD2-OG1 3.27Å; L589-T745 WeakPolarHBondContact CD2-OG1 3.37Å; L589-I748 HydrophobicContact CD2-CB 4.42Å; L589-I748 HydrophobicContact CD2-CD1 3.84Å; L589-I748 HydrophobicContact CD2-CG2 4.47Å; L589-I748 HydrophobicContact CG-CD1 4.23Å; L589-I748 HydrophobicContact CG-CG2 4.22Å; L589-L777 HydrophobicContact CB-CD1 4.43Å; L589-L777 HydrophobicContact CD1-CD1 4.22Å; L589-L777 HydrophobicContact CD1-CD2 3.65Å; L589-F805 HydrophobicContact CD1-CE2 4.14Å; L589-F805 HydrophobicContact CD1-CZ 3.88Å
590	H	96.4	Very high	95.1	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-61.9	-35.2	-179.6	-167.2	-156.9	0	0	0	111.3	I586 M587 V593 V598 I599 Y655 I748 Y752	I586-H590 WeakPolarHBondContact O-CB 3.29Å; I586-H590 PolarHBondContact O-N 3.17Å; M587-H590 PolarHBondContact O-N 2.99Å; H590-V593 WeakPolarHBondContact O-CG2 3.17Å; H590-V598 HydrophobicContact CB-CG2 4.31Å; H590-V598 WeakPolarHBondContact O-CG2 3.22Å; H590-I599 PolarHBondContact CE1-O 2.72Å; H590-Y655 HydrophobicContact CB-CE2 4.29Å; H590-Y655 AromaticContact ND1-CE2 3.79Å; H590-Y655 AromaticContact ND1-CZ 3.64Å; H590-Y655 PolarHBondContact ND1-OH 2.8Å; H590-I748 HydrophobicContact CB-CD1 4.24Å; H590-Y752 AromaticContact CD2-CE2 3.6Å; H590-Y752 AromaticContact NE2-CE2 3.3Å; H590-Y752 VanDerWaalsContact NE2-CE2 3.3Å; H590-Y752 WeakPolarHBondContact NE2-CE2 3.48Å; H590-Y752 AromaticContact NE2-CZ 3.56Å; H590-Y752 PolarHBondContact NE2-OH 2.94Å
591	A	96.1	Very high	95.1	Very high	1 Å²	1	13 Å²	13	1%	0.008	7%	0.071	C	C	.	.	H	α-helix	trans	-70.6	-38	174.1	0	0	0	0	0	113.5	M587 D588 L589 V692 P694	M587-A591 WeakPolarHBondContact O-CB 3.4Å; M587-A591 PolarHBondContact O-N 3.47Å; D588-A591 PolarHBondContact O-N 2.73Å; L589-A591 PolarHBondContact O-N 2.73Å; A591-V692 HydrophobicContact CB-CB 4Å; A591-V692 HydrophobicContact CB-CG1 3.57Å; A591-P694 HydrophobicContact CB-CG 4.19Å
592	H	95.5	Very high	95.3	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-72.1	-26.3	-179.8	-80.2	92.4	0	0	0	114	D588 L589 S594 Y695 S704 V759 M761 K776 L777	D588-H592 VanDerWaalsContact CG-CE1 3.47Å; D588-H592 PolarHBondContact O-N 3.49Å; D588-H592 PolarHBondContact O-ND1 2.97Å; D588-H592 IonicContact OD1-CE1 3.42Å; D588-H592 PolarHBondContact OD1-CE1 3.05Å; D588-H592 IonicContact OD1-ND1 3.59Å; D588-H592 PolarHBondContact OD1-ND1 2.88Å; D588-H592 IonicContact OD2-CE1 2.77Å; D588-H592 PolarHBondContact OD2-CE1 3Å; D588-H592 VanDerWaalsContact OD2-CE1 3.29Å; D588-H592 IonicContact OD2-ND1 4Å; L589-H592 PolarHBondContact O-N 3.08Å; L589-H592 VanDerWaalsContact O-N 3.16Å; H592-S594 VanDerWaalsContact C-N 3.33Å; H592-S594 PolarHBondContact O-N 3.05Å; H592-Y695 AromaticContact CD2-CE1 4Å; H592-Y695 AromaticContact CD2-CZ 3.64Å; H592-Y695 PolarHBondContact CD2-OH 3.24Å; H592-Y695 VanDerWaalsContact CD2-OH 3.27Å; H592-Y695 PolarHBondContact O-OH 3.44Å; H592-Y695 VanDerWaalsContact O-OH 3.08Å; H592-S704 PolarHBondContact CE1-OG 3.09Å; H592-V759 WeakPolarHBondContact O-CB 3.26Å; H592-V759 VanDerWaalsContact O-CG2 3.23Å; H592-V759 WeakPolarHBondContact O-CG2 3.21Å; H592-M761 HydrophobicContact CB-CE 4.27Å; H592-M761 VanDerWaalsContact O-CE 3.27Å; H592-M761 WeakPolarHBondContact O-CE 3.43Å; H592-K776 PolarHBondContact NE2-NZ 3.02Å; H592-L777 HydrophobicContact CB-CB 4.31Å; H592-L777 HydrophobicContact CB-CD1 3.98Å; H592-L777 HydrophobicContact CB-CD2 4.27Å; H592-L777 HydrophobicContact CB-CG 4.41Å
593	V	94.3	Very high	95.3	Very high	5 Å²	5	12.2 Å²	12.2	3%	0.03	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-10.3	-177	-65.1	0	0	0	0	115.3	L589 H590 I748 I749 Y752 V759 M761 F805	L589-V593 HydrophobicContact CD1-CG1 4.19Å; L589-V593 PolarHBondContact O-N 2.86Å; H590-V593 WeakPolarHBondContact O-CG2 3.17Å; V593-I748 HydrophobicContact CB-CG2 4.36Å; V593-I748 HydrophobicContact CG1-CG2 4Å; V593-I748 HydrophobicContact CG2-CG2 3.52Å; V593-I749 HydrophobicContact CG1-CG1 4.47Å; V593-Y752 HydrophobicContact CB-CG 4.44Å; V593-Y752 HydrophobicContact CG2-CD1 4.42Å; V593-Y752 HydrophobicContact CG2-CD2 3.75Å; V593-Y752 HydrophobicContact CG2-CG 3.72Å; V593-V759 PolarHBondContact O-N 3.37Å; V593-M761 HydrophobicContact CB-CE 4.41Å; V593-M761 HydrophobicContact CG1-CE 3.9Å; V593-F805 HydrophobicContact CG1-CE1 4.21Å; V593-F805 HydrophobicContact CG1-CZ 4.08Å
594	S	92.8	Very high	95.3	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.007	7%	0.068	C	C	.	.	B	Isolated β-bridge	trans	-139.3	129.2	-172.6	178.3	0	0	0	0	113.8	H592 A596 P659 S757	H592-S594 VanDerWaalsContact C-N 3.33Å; H592-S594 PolarHBondContact O-N 3.05Å; S594-A596 VanDerWaalsContact C-N 3.25Å; S594-A596 WeakPolarHBondContact CB-O 3.08Å; S594-A596 PolarHBondContact O-N 3.48Å; S594-A596 PolarHBondContact OG-N 2.63Å; S594-A596 VanDerWaalsContact OG-N 3.1Å; S594-A596 PolarHBondContact OG-O 2.73Å; S594-P659 WeakPolarHBondContact O-CG 3.45Å; S594-S757 CarbonylContact C-O 3.49Å; S594-S757 WeakPolarHBondContact CA-O 3.44Å; S594-S757 PolarHBondContact OG-OG 2.9Å; S594-S757 VanDerWaalsContact OG-OG 3.07Å
595	M	90.8	Very high	95.1	Very high	95 Å²	95	16.2 Å²	16.2	47%	0.468	8%	0.081	S	C	.	.	S	Bend	trans	-74.5	-12.5	168.7	-69.4	-54.6	-54.7	0	0	113.6	A660 Y695 S757 V759	M595-A660 HydrophobicContact CE-CB 4.31Å; M595-Y695 HydrophobicContact SD-CD2 4.37Å; M595-S757 PolarHBondContact N-O 2.95Å; M595-V759 HydrophobicContact CG-CG2 3.75Å; M595-V759 HydrophobicContact SD-CG2 3.81Å
596	A	90.9	Very high	94.9	Very high	41 Å²	41	19 Å²	19	34%	0.339	9%	0.092	S	C	.	.	S	Bend	trans	-97.5	148.9	168.5	0	0	0	0	0	109.9	S594 V598 S757	S594-A596 VanDerWaalsContact C-N 3.25Å; S594-A596 WeakPolarHBondContact CB-O 3.08Å; S594-A596 PolarHBondContact O-N 3.48Å; S594-A596 PolarHBondContact OG-N 2.63Å; S594-A596 VanDerWaalsContact OG-N 3.1Å; S594-A596 PolarHBondContact OG-O 2.73Å; A596-V598 PolarHBondContact O-N 2.94Å; A596-S757 VanDerWaalsContact CB-CB 3.48Å
597	E	92.3	Very high	94.6	Very high	62 Å²	62	20.5 Å²	20.5	29%	0.29	10%	0.103	S	C	.	.			trans	-52.4	126.8	177.2	-57.7	178.7	161.7	0	0	111.3	C630	E597-C630 HydrophobicContact CB-CB 3.74Å; E597-C630 PolarHBondContact O-SG 2.81Å; E597-C630 VanDerWaalsContact O-SG 3.41Å; E597-C630 VanDerWaalsContact OE2-CB 3.23Å; E597-C630 WeakPolarHBondContact OE2-CB 3.2Å
598	V	94	Very high	94.1	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	13%	0.133	C	C	.	.			trans	-106.1	158	169.7	-58.6	0	0	0	0	109.8	H590 A596 H656 S657 Y752	H590-V598 HydrophobicContact CB-CG2 4.31Å; H590-V598 WeakPolarHBondContact O-CG2 3.22Å; A596-V598 PolarHBondContact O-N 2.94Å; V598-H656 CarbonylContact O-C 3.59Å; V598-H656 WeakPolarHBondContact O-CA 3.32Å; V598-H656 WeakPolarHBondContact O-CB 3.26Å; V598-S657 WeakPolarHBondContact CG2-OG 3.42Å; V598-S657 PolarHBondContact N-OG 3.46Å; V598-S657 PolarHBondContact O-N 3.41Å; V598-Y752 HydrophobicContact CG1-CE1 3.83Å
599	I	95.2	Very high	93.6	Very high	17 Å²	17	32.9 Å²	32.9	9%	0.087	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	154.4	-177.9	-164.9	160.1	0	0	0	111	H590 C621 M632 Y655 H656	H590-I599 PolarHBondContact CE1-O 2.72Å; I599-C621 HydrophobicContact CG2-CB 4.4Å; I599-C621 WeakPolarHBondContact O-CA 3.5Å; I599-C621 WeakPolarHBondContact O-CB 3.22Å; I599-C621 PolarHBondContact O-N 3.28Å; I599-M632 HydrophobicContact CD1-CB 4.06Å; I599-M632 HydrophobicContact CG1-CB 4.38Å; I599-M632 HydrophobicContact CG2-CB 3.95Å; I599-M632 HydrophobicContact CG2-CG 4.22Å; I599-Y655 CarbonylContact C-O 3.51Å; I599-Y655 VanDerWaalsContact CA-O 3.31Å; I599-Y655 WeakPolarHBondContact CA-O 3.24Å; I599-Y655 WeakPolarHBondContact CG1-O 3.45Å; I599-H656 HydrophobicContact CB-CB 4.38Å; I599-H656 HydrophobicContact CG1-CB 4.25Å
600	G	96.4	Very high	93.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	172.5	175.8	0	0	0	0	0	113.5	E619 W654 Y655	G600-E619 CarbonylContact C-O 3Å; G600-E619 WeakPolarHBondContact CA-O 3.31Å; G600-W654 CarbonylContact O-C 3.49Å; G600-W654 VanDerWaalsContact O-CA 3.28Å; G600-W654 WeakPolarHBondContact O-CA 3.23Å; G600-W654 WeakPolarHBondContact O-CB 3.33Å; G600-Y655 PolarHBondContact N-O 3.21Å; G600-Y655 PolarHBondContact O-N 3.16Å
601	L	96.9	Very high	93	Very high	6 Å²	6	44.4 Å²	44.4	3%	0.031	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	152.1	176.5	-69.9	-175.8	0	0	0	111.8	A618 E619 M632 Q637 A640 L644 V651	L601-A618 WeakPolarHBondContact O-CA 3.5Å; L601-E619 PolarHBondContact N-O 2.77Å; L601-E619 PolarHBondContact O-N 2.81Å; L601-M632 HydrophobicContact CD2-CE 3.71Å; L601-M632 HydrophobicContact CD2-SD 3.86Å; L601-M632 HydrophobicContact CG-CE 4.48Å; L601-M632 HydrophobicContact CG-SD 4.01Å; L601-Q637 HydrophobicContact CD1-CG 4.25Å; L601-A640 HydrophobicContact CB-CB 4.47Å; L601-A640 HydrophobicContact CD1-CB 3.85Å; L601-A640 HydrophobicContact CG-CB 4.27Å; L601-L644 HydrophobicContact CB-CD1 4.03Å; L601-V651 HydrophobicContact CD1-CG1 4.34Å; L601-V651 HydrophobicContact CD1-CG2 4.28Å; L601-V651 HydrophobicContact CD2-CG1 4.05Å
602	L	97.6	Very high	92.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	125.6	170.2	-60.5	178.1	0	0	0	109.8	M587 V615 A618 I652 G653 W654 Y655 I688 M690	M587-L602 HydrophobicContact CE-CD2 4.4Å; M587-L602 HydrophobicContact CG-CD2 4.35Å; M587-L602 HydrophobicContact SD-CD2 3.71Å; L602-V615 HydrophobicContact CB-CG1 4.15Å; L602-V615 HydrophobicContact CD2-CG1 4.09Å; L602-V615 HydrophobicContact CG-CG1 4.48Å; L602-A618 HydrophobicContact CD2-CB 3.88Å; L602-I652 PolarHBondContact O-N 2.87Å; L602-G653 PolarHBondContact N-O 3.37Å; L602-G653 PolarHBondContact O-N 3.15Å; L602-W654 WeakPolarHBondContact CD1-O 3.33Å; L602-Y655 HydrophobicContact CD2-CD1 3.74Å; L602-Y655 HydrophobicContact CD2-CG 4.3Å; L602-Y655 HydrophobicContact CG-CD1 4.34Å; L602-I688 HydrophobicContact CD1-CD1 4.35Å; L602-I688 HydrophobicContact CD1-CG1 4.44Å; L602-M690 HydrophobicContact CD1-CB 4.12Å; L602-M690 HydrophobicContact CD1-CG 3.68Å; L602-M690 HydrophobicContact CD1-SD 3.64Å
603	G	96.4	Very high	92.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	144.3	178.8	0	0	0	0	0	112.3	C616 A617 S650	G603-C616 PolarHBondContact O-N 2.78Å; G603-A617 PolarHBondContact N-O 3.41Å; G603-A617 PolarHBondContact O-N 3.33Å; G603-S650 WeakPolarHBondContact CA-O 3.48Å
604	G	95.2	Very high	92.9	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.5	-142.4	175.5	0	0	0	0	0	113.6	E614 S650	G604-E614 CarbonylContact C-O 3.57Å; G604-E614 VanDerWaalsContact CA-O 3.23Å; G604-E614 WeakPolarHBondContact CA-O 3.27Å; G604-S650 PolarHBondContact N-O 2.82Å; G604-S650 PolarHBondContact O-N 3.18Å
605	R	93	Very high	93.2	Very high	101 Å²	101	46.8 Å²	46.8	38%	0.381	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	160	-172	-59.1	-179.6	-64.2	-109.6	1.5	111.2	E614 Y649	R605-E614 HydrophobicContact CB-CB 4.47Å; R605-E614 IonicContact CZ-OE2 3.08Å; R605-E614 VanDerWaalsContact CZ-OE2 3.23Å; R605-E614 PolarHBondContact N-O 3.32Å; R605-E614 IonicContact NE-OE2 3.82Å; R605-E614 PolarHBondContact NE-OE2 3.33Å; R605-E614 IonicContact NH2-OE2 2.86Å; R605-E614 PolarHBondContact NH2-OE2 2.84Å; R605-E614 PolarHBondContact O-N 3.26Å; R605-Y649 HydrophobicContact CG-CD1 4.5Å
606	Y	92.1	Very high	93.4	Very high	59 Å²	59	42.4 Å²	42.4	23%	0.231	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	122.2	171.6	171.4	-124.9	0	0	0	109.3	F575 E608 V612 V613 K686	F575-Y606 HydrophobicContact CB-CE2 4.5Å; Y606-E608 HydrophobicContact CD1-CG 4.1Å; Y606-E608 HydrophobicContact CE1-CB 4.46Å; Y606-E608 HydrophobicContact CE1-CG 3.41Å; Y606-E608 VanDerWaalsContact CE1-CG 3.41Å; Y606-V612 WeakPolarHBondContact CA-O 3.06Å; Y606-V612 WeakPolarHBondContact CD2-O 3.31Å; Y606-V613 HydrophobicContact CD2-CG2 3.57Å; Y606-V613 HydrophobicContact CE2-CG2 4.22Å; Y606-V613 HydrophobicContact CG-CG2 4.33Å; Y606-K686 HydrophobicContact CD1-CG 4.06Å; Y606-K686 HydrophobicContact CD2-CG 3.87Å; Y606-K686 HydrophobicContact CE1-CD 4.28Å; Y606-K686 HydrophobicContact CE1-CG 3.8Å; Y606-K686 HydrophobicContact CE2-CG 3.63Å; Y606-K686 HydrophobicContact CG-CG 4.11Å; Y606-K686 WeakPolarHBondContact OH-CE 3.4Å
607	S	90.4	Very high	93.7	Very high	35 Å²	35	40.5 Å²	40.5	25%	0.245	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	116.4	169.9	179.5	0	0	0	0	109.7	V609 D610 K611 V612	S607-V609 VanDerWaalsContact C-N 3.31Å; S607-V609 PolarHBondContact OG-N 3.29Å; S607-D610 VanDerWaalsContact CB-OD2 3.32Å; S607-D610 WeakPolarHBondContact CB-OD2 3.47Å; S607-D610 PolarHBondContact OG-N 2.72Å; S607-D610 PolarHBondContact OG-OD2 3.1Å; S607-K611 WeakPolarHBondContact O-CA 3.44Å; S607-K611 PolarHBondContact O-N 2.93Å; S607-V612 PolarHBondContact N-O 3.16Å; S607-V612 PolarHBondContact O-N 2.77Å
608	E	86.4	Confident	93.9	Very high	133 Å²	133	37.7 Å²	37.7	62%	0.621	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-30.4	171.5	-75.5	-169.2	162.3	0	0	112.6	Y606	Y606-E608 HydrophobicContact CD1-CG 4.1Å; Y606-E608 HydrophobicContact CE1-CB 4.46Å; Y606-E608 HydrophobicContact CE1-CG 3.41Å; Y606-E608 VanDerWaalsContact CE1-CG 3.41Å
609	V	87.4	Confident	94.1	Very high	133 Å²	133	38.1 Å²	38.1	81%	0.806	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-52.6	-177.6	-179.8	0	0	0	0	110.4	S607 K611	S607-V609 VanDerWaalsContact C-N 3.31Å; S607-V609 PolarHBondContact OG-N 3.29Å; V609-K611 VanDerWaalsContact C-N 3.32Å
610	D	87.5	Confident	94.1	Very high	114 Å²	114	37.7 Å²	37.7	61%	0.61	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-13.7	-178.3	-47.9	-72.8	0	0	0	112.3	S607 V612	S607-D610 VanDerWaalsContact CB-OD2 3.32Å; S607-D610 WeakPolarHBondContact CB-OD2 3.47Å; S607-D610 PolarHBondContact OG-N 2.72Å; S607-D610 PolarHBondContact OG-OD2 3.1Å; D610-V612 VanDerWaalsContact C-N 3.32Å; D610-V612 HydrophobicContact CB-CB 4.32Å; D610-V612 HydrophobicContact CB-CG2 3.72Å
611	K	91.3	Very high	94	Very high	127 Å²	127	37.7 Å²	37.7	55%	0.552	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	48.5	-167.4	-55.8	177.4	-174.7	172.4	0	111.9	F575 Q576 S607 V609	F575-K611 CarbonylContact C-O 3.58Å; F575-K611 WeakPolarHBondContact CA-O 3.22Å; F575-K611 HydrophobicContact CB-CB 4.32Å; F575-K611 WeakPolarHBondContact CB-O 3.3Å; Q576-K611 PolarHBondContact N-O 3.07Å; S607-K611 WeakPolarHBondContact O-CA 3.44Å; S607-K611 PolarHBondContact O-N 2.93Å; V609-K611 VanDerWaalsContact C-N 3.32Å
612	V	93.8	Very high	93.6	Very high	10 Å²	10	40.5 Å²	40.5	6%	0.061	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128.6	178.7	179.5	0	0	0	0	109.8	Q576 K578 Y606 S607 D610 E614	Q576-V612 HydrophobicContact CB-CG2 4.38Å; Q576-V612 WeakPolarHBondContact O-CA 3.26Å; K578-V612 HydrophobicContact CB-CG1 4.39Å; K578-V612 HydrophobicContact CD-CG1 3.7Å; K578-V612 HydrophobicContact CG-CG1 3.88Å; Y606-V612 WeakPolarHBondContact CA-O 3.06Å; Y606-V612 WeakPolarHBondContact CD2-O 3.31Å; S607-V612 PolarHBondContact N-O 3.16Å; S607-V612 PolarHBondContact O-N 2.77Å; D610-V612 VanDerWaalsContact C-N 3.32Å; D610-V612 HydrophobicContact CB-CB 4.32Å; D610-V612 HydrophobicContact CB-CG2 3.72Å; V612-E614 HydrophobicContact CG1-CG 3.82Å
613	V	95.4	Very high	93.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	123.9	164.5	174.1	0	0	0	0	108	F575 Q576 K578 Y606 I652 K686	F575-V613 HydrophobicContact CD2-CB 4.04Å; F575-V613 HydrophobicContact CD2-CG2 3.4Å; F575-V613 VanDerWaalsContact CD2-CG2 3.4Å; F575-V613 HydrophobicContact CE2-CB 4.24Å; F575-V613 HydrophobicContact CE2-CG2 3.62Å; F575-V613 HydrophobicContact CG-CG2 4.03Å; F575-V613 HydrophobicContact CZ-CG2 4.39Å; Q576-V613 PolarHBondContact O-N 3.01Å; K578-V613 PolarHBondContact N-O 3.02Å; Y606-V613 HydrophobicContact CD2-CG2 3.57Å; Y606-V613 HydrophobicContact CE2-CG2 4.22Å; Y606-V613 HydrophobicContact CG-CG2 4.33Å; V613-I652 HydrophobicContact CG1-CD1 3.78Å; V613-K686 HydrophobicContact CG2-CB 3.78Å; V613-K686 HydrophobicContact CG2-CG 4.12Å
614	E	96.1	Very high	92.2	Very high	47 Å²	47	46.3 Å²	46.3	22%	0.22	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	112.4	179.7	-58.1	-173.5	140.9	0	0	109.2	K578 G604 R605 V612 C616 I652 M732	K578-E614 CarbonylContact O-C 3.51Å; K578-E614 WeakPolarHBondContact O-CA 3.4Å; G604-E614 CarbonylContact C-O 3.57Å; G604-E614 VanDerWaalsContact CA-O 3.23Å; G604-E614 WeakPolarHBondContact CA-O 3.27Å; R605-E614 HydrophobicContact CB-CB 4.47Å; R605-E614 IonicContact CZ-OE2 3.08Å; R605-E614 VanDerWaalsContact CZ-OE2 3.23Å; R605-E614 PolarHBondContact N-O 3.32Å; R605-E614 IonicContact NE-OE2 3.82Å; R605-E614 PolarHBondContact NE-OE2 3.33Å; R605-E614 IonicContact NH2-OE2 2.86Å; R605-E614 PolarHBondContact NH2-OE2 2.84Å; R605-E614 PolarHBondContact O-N 3.26Å; V612-E614 HydrophobicContact CG1-CG 3.82Å; E614-C616 PolarHBondContact O-N 3.42Å; E614-I652 VanDerWaalsContact O-CD1 3.3Å; E614-I652 WeakPolarHBondContact O-CD1 3.47Å; E614-M732 HydrophobicContact CB-SD 4.45Å
615	V	97.4	Very high	90.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	95.4	175.4	-174.7	0	0	0	0	109	K578 V579 A580 A583 L602 I652 I688	K578-V615 PolarHBondContact O-N 3.38Å; V579-V615 HydrophobicContact CB-CB 4.29Å; V579-V615 HydrophobicContact CG1-CB 4.05Å; V579-V615 HydrophobicContact CG1-CG1 4.24Å; V579-V615 HydrophobicContact CG2-CB 4Å; V579-V615 HydrophobicContact CG2-CG2 4.04Å; A580-V615 WeakPolarHBondContact CB-O 3.23Å; A580-V615 PolarHBondContact N-O 2.84Å; A583-V615 HydrophobicContact CB-CG1 4.02Å; L602-V615 HydrophobicContact CB-CG1 4.15Å; L602-V615 HydrophobicContact CD2-CG1 4.09Å; L602-V615 HydrophobicContact CG-CG1 4.48Å; V615-I652 HydrophobicContact CB-CD1 4.35Å; V615-I652 HydrophobicContact CG2-CD1 3.87Å; V615-I688 HydrophobicContact CG2-CD1 3.65Å
616	C	96	Very high	89.3	Confident	4 Å²	4	50.5 Å²	50.5	3%	0.027	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-33.1	-175.2	-53.8	0	0	0	0	112.6	G603 E614 Y649	G603-C616 PolarHBondContact O-N 2.78Å; E614-C616 PolarHBondContact O-N 3.42Å; C616-Y649 HydrophobicContact CB-CD1 4Å; C616-Y649 HydrophobicContact CB-CD2 4.5Å; C616-Y649 HydrophobicContact CB-CE1 3.37Å; C616-Y649 HydrophobicContact CB-CE2 3.94Å; C616-Y649 WeakPolarHBondContact CB-OH 3.34Å
617	A	96.4	Very high	87.6	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	151.2	-173.2	0	0	0	0	0	112.4	G603 L644 R647 Y649	G603-A617 PolarHBondContact N-O 3.41Å; G603-A617 PolarHBondContact O-N 3.33Å; A617-L644 HydrophobicContact CB-CD2 3.75Å; A617-R647 VanDerWaalsContact CB-NH1 3.31Å; A617-Y649 HydrophobicContact CB-CD2 3.99Å; A617-Y649 HydrophobicContact CB-CE2 4.01Å
618	A	97.6	Very high	86.2	Confident	4 Å²	4	55.2 Å²	55.2	3%	0.033	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	132.1	169.9	0	0	0	0	0	109.2	A583 I586 M587 L601 L602 Y655	A583-A618 HydrophobicContact CB-CB 4.09Å; I586-A618 HydrophobicContact CB-CB 4.44Å; I586-A618 HydrophobicContact CG2-CB 4.26Å; I586-A618 WeakPolarHBondContact CG2-O 3.33Å; M587-A618 HydrophobicContact CG-CB 3.72Å; L601-A618 WeakPolarHBondContact O-CA 3.5Å; L602-A618 HydrophobicContact CD2-CB 3.88Å; A618-Y655 HydrophobicContact CB-CD1 4.4Å; A618-Y655 HydrophobicContact CB-CE1 3.96Å
619	E	96.8	Very high	85.3	Confident	10 Å²	10	51.5 Å²	51.5	5%	0.047	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	107.7	-178.4	-77.4	-64.4	171.3	0	0	110.9	G600 L601 C621 A640 T643 L644 K744	G600-E619 CarbonylContact C-O 3Å; G600-E619 WeakPolarHBondContact CA-O 3.31Å; L601-E619 PolarHBondContact N-O 2.77Å; L601-E619 PolarHBondContact O-N 2.81Å; E619-C621 PolarHBondContact O-N 3Å; E619-A640 HydrophobicContact CB-CB 3.89Å; E619-T643 HydrophobicContact CG-CG2 4.48Å; E619-T643 VanDerWaalsContact OE1-CG2 3.22Å; E619-T643 WeakPolarHBondContact OE1-CG2 2.95Å; E619-L644 HydrophobicContact CG-CD1 4.43Å; E619-L644 HydrophobicContact CG-CD2 3.65Å; E619-L644 HydrophobicContact CG-CG 3.82Å; E619-K744 VanDerWaalsContact OE1-CE 3.26Å; E619-K744 WeakPolarHBondContact OE1-CE 3.49Å; E619-K744 IonicContact OE1-NZ 3.16Å; E619-K744 PolarHBondContact OE1-NZ 3.08Å; E619-K744 WeakPolarHBondContact OE2-CE 3.14Å; E619-K744 IonicContact OE2-NZ 2.75Å; E619-K744 PolarHBondContact OE2-NZ 3.28Å
620	P	95.9	Very high	84.8	Confident	8 Å²	8	46.2 Å²	46.2	5%	0.052	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	129.9	174	-29.3	36.8	0	0	0	113.3	I586 W747 I748	I586-P620 HydrophobicContact CG2-CG 3.75Å; P620-W747 HydrophobicContact CB-CE3 4.45Å; P620-W747 HydrophobicContact CB-CH2 4.3Å; P620-W747 HydrophobicContact CB-CZ3 3.62Å; P620-W747 HydrophobicContact CG-CZ3 4.44Å; P620-I748 HydrophobicContact CB-CG1 4.46Å; P620-I748 HydrophobicContact CG-CD1 3.85Å; P620-I748 HydrophobicContact CG-CG1 3.98Å
621	C	93.8	Very high	84.6	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.261	C	S	.	.			trans	-108.6	168.1	174.8	-69.5	0	0	0	0	112.4	I599 E619 M632 S636 K751	I599-C621 HydrophobicContact CG2-CB 4.4Å; I599-C621 WeakPolarHBondContact O-CA 3.5Å; I599-C621 WeakPolarHBondContact O-CB 3.22Å; I599-C621 PolarHBondContact O-N 3.28Å; E619-C621 PolarHBondContact O-N 3Å; C621-M632 HydrophobicContact CB-CG 3.71Å; C621-M632 HydrophobicContact CB-SD 3.91Å; C621-S636 VanDerWaalsContact CA-OG 3.29Å; C621-S636 WeakPolarHBondContact CA-OG 3.25Å; C621-K751 PolarHBondContact O-NZ 3.41Å
622	N	89.9	Confident	84.3	Confident	65 Å²	65	40.4 Å²	40.4	35%	0.348	24%	0.24	S	C	.	.			trans	-79.8	138.9	163.7	-62.6	-28.1	0	0	0	109.7	D633 S636 K751	N622-D633 HydrophobicContact CB-CB 3.97Å; N622-D633 WeakPolarHBondContact O-CB 3.45Å; N622-D633 PolarHBondContact O-N 3.14Å; N622-S636 PolarHBondContact N-OG 2.73Å; N622-K751 VanDerWaalsContact OD1-CE 3.23Å; N622-K751 WeakPolarHBondContact OD1-CE 3.37Å; N622-K751 PolarHBondContact OD1-NZ 3.07Å
623	S	85.5	Confident	84.1	Confident	40 Å²	40	41.5 Å²	41.5	28%	0.28	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	133.5	174.5	48.1	0	0	0	0	111.7	S625 C630 E631	S623-S625 PolarHBondContact O-N 2.99Å; S623-C630 WeakPolarHBondContact CB-SG 3.12Å; S623-E631 CarbonylContact C-O 3.54Å; S623-E631 VanDerWaalsContact CA-O 3.31Å; S623-E631 WeakPolarHBondContact CA-O 3.35Å
624	L	78.9	Confident	83.9	Confident	81 Å²	81	45.2 Å²	45.2	42%	0.424	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	79.4	170.3	-63.1	179.8	0	0	0	108.7	T626 E631 D633	L624-T626 PolarHBondContact O-N 3.1Å; L624-T626 VanDerWaalsContact O-N 3.11Å; L624-E631 PolarHBondContact N-O 2.61Å; L624-D633 HydrophobicContact CD1-CB 4.35Å; L624-D633 HydrophobicContact CD2-CB 4.17Å; L624-D633 HydrophobicContact CG-CB 3.94Å
625	S	66.1	Low	83.7	Confident	86 Å²	86	47.3 Å²	47.3	60%	0.601	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	110.5	178.2	-175.8	0	0	0	0	111.2	S623 G627	S623-S625 PolarHBondContact O-N 2.99Å; S625-G627 PolarHBondContact O-N 3.2Å; S625-G627 PolarHBondContact OG-N 3.42Å
626	T	59.9	Low	83.5	Confident	104 Å²	104	47.7 Å²	47.7	64%	0.638	29%	0.288	S	S	*	.			trans	-89.2	22.3	168.6	45.5	0	0	0	0	112.2	L624 L628 Q629	L624-T626 PolarHBondContact O-N 3.1Å; L624-T626 VanDerWaalsContact O-N 3.11Å; T626-L628 PolarHBondContact O-N 3.11Å; T626-Q629 PolarHBondContact N-O 3.41Å
627	G	57.2	Low	83.3	Confident	64 Å²	64	50.5 Å²	50.5	66%	0.66	30%	0.301	S	S	*	.	S	Bend	trans	81.2	-18	176	0	0	0	0	0	115.5	S625	S625-G627 PolarHBondContact O-N 3.2Å; S625-G627 PolarHBondContact OG-N 3.42Å
628	L	61.3	Low	83.1	Confident	129 Å²	129	53.9 Å²	53.9	68%	0.675	32%	0.321	S	S	*	.	S	Bend	trans	-132.6	-3.1	174.1	-69.6	175.5	0	0	0	113.7	F559 T626	F559-L628 WeakPolarHBondContact CE1-O 2.98Å; F559-L628 HydrophobicContact CE2-CB 4.28Å; F559-L628 HydrophobicContact CZ-CB 3.97Å; F559-L628 VanDerWaalsContact CZ-O 3.31Å; F559-L628 WeakPolarHBondContact CZ-O 3.23Å; T626-L628 PolarHBondContact O-N 3.11Å
629	Q	66.8	Low	83	Confident	56 Å²	56	58.7 Å²	58.7	26%	0.262	34%	0.343	S	S	.	.			trans	-146.3	130.9	-174.4	-171.2	-177	-20.5	0	0	110.3	T626 E631	T626-Q629 PolarHBondContact N-O 3.41Å; Q629-E631 HydrophobicContact CG-CG 4.03Å; Q629-E631 PolarHBondContact NE2-OE1 3.44Å
630	C	77.4	Confident	82.9	Confident	21 Å²	21	58.5 Å²	58.5	14%	0.142	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	93.9	168	-168.1	0	0	0	0	110	E597 S623	E597-C630 HydrophobicContact CB-CB 3.74Å; E597-C630 PolarHBondContact O-SG 2.81Å; E597-C630 VanDerWaalsContact O-SG 3.41Å; E597-C630 VanDerWaalsContact OE2-CB 3.23Å; E597-C630 WeakPolarHBondContact OE2-CB 3.2Å; S623-C630 WeakPolarHBondContact CB-SG 3.12Å
631	E	83.7	Confident	82.8	Confident	98 Å²	98	60.1 Å²	60.1	46%	0.458	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	146.4	164.9	-65.9	-164.6	153.7	0	0	110.1	S623 L624 Q629	S623-E631 CarbonylContact C-O 3.54Å; S623-E631 VanDerWaalsContact CA-O 3.31Å; S623-E631 WeakPolarHBondContact CA-O 3.35Å; L624-E631 PolarHBondContact N-O 2.61Å; Q629-E631 HydrophobicContact CG-CG 4.03Å; Q629-E631 PolarHBondContact NE2-OE1 3.44Å
632	M	85.6	Confident	82.9	Confident	22 Å²	22	65.4 Å²	65.4	11%	0.108	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	132.4	175.7	-175.6	168.4	37.5	0	0	110.1	I599 L601 C621 Q637	I599-M632 HydrophobicContact CD1-CB 4.06Å; I599-M632 HydrophobicContact CG1-CB 4.38Å; I599-M632 HydrophobicContact CG2-CB 3.95Å; I599-M632 HydrophobicContact CG2-CG 4.22Å; L601-M632 HydrophobicContact CD2-CE 3.71Å; L601-M632 HydrophobicContact CD2-SD 3.86Å; L601-M632 HydrophobicContact CG-CE 4.48Å; L601-M632 HydrophobicContact CG-SD 4.01Å; C621-M632 HydrophobicContact CB-CG 3.71Å; C621-M632 HydrophobicContact CB-SD 3.91Å; M632-Q637 HydrophobicContact CE-CB 4.31Å; M632-Q637 HydrophobicContact CE-CG 3.75Å; M632-Q637 HydrophobicContact CG-CB 4.03Å; M632-Q637 HydrophobicContact SD-CB 4.02Å; M632-Q637 HydrophobicContact SD-CG 3.96Å
633	D	89.4	Confident	83.1	Confident	32 Å²	32	64.8 Å²	64.8	17%	0.171	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-64	127.7	177.1	172	64.5	0	0	0	111.6	N622 L624 V635 S636 Q637	N622-D633 HydrophobicContact CB-CB 3.97Å; N622-D633 WeakPolarHBondContact O-CB 3.45Å; N622-D633 PolarHBondContact O-N 3.14Å; L624-D633 HydrophobicContact CD1-CB 4.35Å; L624-D633 HydrophobicContact CD2-CB 4.17Å; L624-D633 HydrophobicContact CG-CB 3.94Å; D633-V635 VanDerWaalsContact C-N 3.29Å; D633-V635 PolarHBondContact O-N 2.88Å; D633-V635 WeakPolarHBondContact OD2-CB 3.35Å; D633-V635 PolarHBondContact OD2-N 3.26Å; D633-S636 PolarHBondContact O-N 3.18Å; D633-S636 WeakPolarHBondContact OD2-CB 3.2Å; D633-S636 PolarHBondContact OD2-N 3.04Å; D633-Q637 WeakPolarHBondContact O-CB 3.34Å; D633-Q637 PolarHBondContact O-N 2.97Å
634	P	89.6	Confident	83.6	Confident	78 Å²	78	62.9 Å²	62.9	51%	0.506	36%	0.364	S	S	.	.	H	α-helix	trans	-61	-31.2	-176.8	-26.9	35.7	0	0	0	114.9	T638	P634-T638 PolarHBondContact O-N 2.72Å; P634-T638 VanDerWaalsContact O-N 3.13Å; P634-T638 PolarHBondContact O-OG1 3.29Å
635	V	92.4	Very high	84.4	Confident	91 Å²	91	62 Å²	62	55%	0.552	37%	0.369	S	S	*	.	H	α-helix	trans	-72.9	-48.8	178.5	-176.3	0	0	0	0	109.1	D633 Q637 T638 Q639	D633-V635 VanDerWaalsContact C-N 3.29Å; D633-V635 PolarHBondContact O-N 2.88Å; D633-V635 WeakPolarHBondContact OD2-CB 3.35Å; D633-V635 PolarHBondContact OD2-N 3.26Å; V635-Q637 VanDerWaalsContact C-N 3.32Å; V635-Q637 PolarHBondContact O-N 2.81Å; V635-T638 WeakPolarHBondContact O-CB 3.33Å; V635-T638 PolarHBondContact O-N 3.09Å; V635-T638 VanDerWaalsContact O-N 3.14Å; V635-Q639 WeakPolarHBondContact O-CG 3.36Å; V635-Q639 PolarHBondContact O-N 3.35Å
636	S	92.8	Very high	85.8	Confident	8 Å²	8	64.1 Å²	64.1	6%	0.056	38%	0.378	C	S	.	.	H	α-helix	trans	-60.9	-37.3	175.1	-169.2	0	0	0	0	112.9	C621 N622 D633 T638 A640	C621-S636 VanDerWaalsContact CA-OG 3.29Å; C621-S636 WeakPolarHBondContact CA-OG 3.25Å; N622-S636 PolarHBondContact N-OG 2.73Å; D633-S636 PolarHBondContact O-N 3.18Å; D633-S636 WeakPolarHBondContact OD2-CB 3.2Å; D633-S636 PolarHBondContact OD2-N 3.04Å; S636-T638 VanDerWaalsContact C-N 3.34Å; S636-A640 VanDerWaalsContact O-CB 3.27Å; S636-A640 WeakPolarHBondContact O-CB 3.43Å; S636-A640 PolarHBondContact O-N 3.04Å
637	Q	92.5	Very high	87.4	Confident	64 Å²	64	62 Å²	62	30%	0.299	36%	0.358	S	S	.	.	H	α-helix	trans	-61.1	-44.4	173.8	-175.5	-179.5	9.5	0	0	111.1	L601 M632 D633 V635 A640 S641	L601-Q637 HydrophobicContact CD1-CG 4.25Å; M632-Q637 HydrophobicContact CE-CB 4.31Å; M632-Q637 HydrophobicContact CE-CG 3.75Å; M632-Q637 HydrophobicContact CG-CB 4.03Å; M632-Q637 HydrophobicContact SD-CB 4.02Å; M632-Q637 HydrophobicContact SD-CG 3.96Å; D633-Q637 WeakPolarHBondContact O-CB 3.34Å; D633-Q637 PolarHBondContact O-N 2.97Å; V635-Q637 VanDerWaalsContact C-N 3.32Å; V635-Q637 PolarHBondContact O-N 2.81Å; Q637-A640 PolarHBondContact O-N 2.73Å; Q637-S641 WeakPolarHBondContact O-CB 3.23Å; Q637-S641 PolarHBondContact O-N 2.84Å; Q637-S641 PolarHBondContact O-OG 3.04Å
638	T	92.9	Very high	89.1	Confident	70 Å²	70	62 Å²	62	43%	0.429	36%	0.358	S	S	.	.	H	α-helix	trans	-63.4	-51.5	179.1	-54.6	0	0	0	0	110.1	P634 V635 S636 A640 S641 E642	P634-T638 PolarHBondContact O-N 2.72Å; P634-T638 VanDerWaalsContact O-N 3.13Å; P634-T638 PolarHBondContact O-OG1 3.29Å; V635-T638 WeakPolarHBondContact O-CB 3.33Å; V635-T638 PolarHBondContact O-N 3.09Å; V635-T638 VanDerWaalsContact O-N 3.14Å; S636-T638 VanDerWaalsContact C-N 3.34Å; T638-A640 VanDerWaalsContact C-N 3.34Å; T638-A640 PolarHBondContact O-N 3.29Å; T638-S641 PolarHBondContact O-N 3.16Å; T638-S641 PolarHBondContact O-OG 2.94Å; T638-E642 WeakPolarHBondContact O-CG 3.37Å; T638-E642 PolarHBondContact O-N 2.86Å
639	Q	94.4	Very high	90.7	Very high	106 Å²	106	57.9 Å²	57.9	50%	0.495	33%	0.334	S	S	.	.	H	α-helix	trans	-58.5	-41.5	177.9	-69.9	173.9	-28.2	0	0	112.9	V635 E642 T643	V635-Q639 WeakPolarHBondContact O-CG 3.36Å; V635-Q639 PolarHBondContact O-N 3.35Å; Q639-E642 PolarHBondContact O-N 3.31Å; Q639-T643 WeakPolarHBondContact O-CB 3.32Å; Q639-T643 PolarHBondContact O-N 2.98Å; Q639-T643 PolarHBondContact O-OG1 2.99Å
640	A	94.7	Very high	92	Very high	5 Å²	5	59 Å²	59	4%	0.041	35%	0.348	C	S	.	.	H	α-helix	trans	-64.6	-41.4	174.9	0	0	0	0	0	111.5	L601 E619 S636 Q637 T638 T643 L644	L601-A640 HydrophobicContact CB-CB 4.47Å; L601-A640 HydrophobicContact CD1-CB 3.85Å; L601-A640 HydrophobicContact CG-CB 4.27Å; E619-A640 HydrophobicContact CB-CB 3.89Å; S636-A640 VanDerWaalsContact O-CB 3.27Å; S636-A640 WeakPolarHBondContact O-CB 3.43Å; S636-A640 PolarHBondContact O-N 3.04Å; Q637-A640 PolarHBondContact O-N 2.73Å; T638-A640 VanDerWaalsContact C-N 3.34Å; T638-A640 PolarHBondContact O-N 3.29Å; A640-T643 PolarHBondContact O-N 3.29Å; A640-L644 WeakPolarHBondContact O-CG 3.48Å; A640-L644 PolarHBondContact O-N 3.49Å
641	S	94.8	Very high	92.8	Very high	42 Å²	42	59.5 Å²	59.5	29%	0.294	35%	0.35	S	S	.	.	H	α-helix	trans	-66.5	-37.1	177	73.6	0	0	0	0	113.2	Q637 T638 L644 A645	Q637-S641 WeakPolarHBondContact O-CB 3.23Å; Q637-S641 PolarHBondContact O-N 2.84Å; Q637-S641 PolarHBondContact O-OG 3.04Å; T638-S641 PolarHBondContact O-N 3.16Å; T638-S641 PolarHBondContact O-OG 2.94Å; S641-L644 PolarHBondContact O-N 3.36Å; S641-A645 WeakPolarHBondContact O-CB 3.42Å; S641-A645 PolarHBondContact O-N 2.98Å
642	E	95.4	Very high	93.3	Very high	111 Å²	111	55 Å²	55	52%	0.519	33%	0.329	S	S	.	.	H	α-helix	trans	-65.3	-43.6	172.4	-70.8	171	173.1	0	0	111.2	T638 Q639 L644 A645 V646	T638-E642 WeakPolarHBondContact O-CG 3.37Å; T638-E642 PolarHBondContact O-N 2.86Å; Q639-E642 PolarHBondContact O-N 3.31Å; E642-L644 VanDerWaalsContact C-N 3.3Å; E642-L644 PolarHBondContact O-N 3.12Å; E642-A645 PolarHBondContact O-N 3.31Å; E642-V646 WeakPolarHBondContact O-CG2 3.27Å; E642-V646 PolarHBondContact O-N 3.12Å
643	T	94.8	Very high	93.8	Very high	52 Å²	52	53.9 Å²	53.9	32%	0.319	32%	0.324	S	S	.	.	H	α-helix	trans	-60.8	-39.1	177.4	-55.8	0	0	0	0	111.9	E619 Q639 A640	E619-T643 HydrophobicContact CG-CG2 4.48Å; E619-T643 VanDerWaalsContact OE1-CG2 3.22Å; E619-T643 WeakPolarHBondContact OE1-CG2 2.95Å; Q639-T643 WeakPolarHBondContact O-CB 3.32Å; Q639-T643 PolarHBondContact O-N 2.98Å; Q639-T643 PolarHBondContact O-OG1 2.99Å; A640-T643 PolarHBondContact O-N 3.29Å
644	L	95.5	Very high	94.1	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-68.4	-44.4	173.4	-68.7	175	0	0	0	112	L601 A617 E619 A640 S641 E642 V646 R647 G648 Y649 V651	L601-L644 HydrophobicContact CB-CD1 4.03Å; A617-L644 HydrophobicContact CB-CD2 3.75Å; E619-L644 HydrophobicContact CG-CD1 4.43Å; E619-L644 HydrophobicContact CG-CD2 3.65Å; E619-L644 HydrophobicContact CG-CG 3.82Å; A640-L644 WeakPolarHBondContact O-CG 3.48Å; A640-L644 PolarHBondContact O-N 3.49Å; S641-L644 PolarHBondContact O-N 3.36Å; E642-L644 VanDerWaalsContact C-N 3.3Å; E642-L644 PolarHBondContact O-N 3.12Å; L644-V646 PolarHBondContact O-N 3.07Å; L644-R647 CarbonylContact O-C 3.51Å; L644-R647 PolarHBondContact O-N 3.19Å; L644-R647 VanDerWaalsContact O-N 3.08Å; L644-G648 PolarHBondContact O-N 3.43Å; L644-Y649 CarbonylContact C-O 3.4Å; L644-Y649 HydrophobicContact CD2-CD2 4.46Å; L644-Y649 WeakPolarHBondContact O-CB 3.35Å; L644-Y649 PolarHBondContact O-N 3.19Å; L644-V651 HydrophobicContact CD1-CG2 4.16Å
645	A	94.7	Very high	94.5	Very high	64 Å²	64	49.2 Å²	49.2	53%	0.529	29%	0.294	S	S	.	.	H	α-helix	trans	-62.7	-38.8	179.3	0	0	0	0	0	112.8	S641 E642 R647 G648	S641-A645 WeakPolarHBondContact O-CB 3.42Å; S641-A645 PolarHBondContact O-N 2.98Å; E642-A645 PolarHBondContact O-N 3.31Å; A645-R647 PolarHBondContact O-N 3.41Å; A645-G648 WeakPolarHBondContact O-CA 3.42Å; A645-G648 PolarHBondContact O-N 3.09Å
646	V	95.5	Very high	94.6	Very high	129 Å²	129	45.3 Å²	45.3	78%	0.782	27%	0.269	S	S	*	.	H	α-helix	trans	-61.3	-29.8	174	168.1	0	0	0	0	112.1	E642 L644 G648	E642-V646 WeakPolarHBondContact O-CG2 3.27Å; E642-V646 PolarHBondContact O-N 3.12Å; L644-V646 PolarHBondContact O-N 3.07Å; V646-G648 VanDerWaalsContact C-N 3.28Å
647	R	93.2	Very high	94.8	Very high	59 Å²	59	44.9 Å²	44.9	22%	0.223	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	5.6	173.7	-63.8	178.3	72.3	-159	2.8	113.5	E582 A617 L644 A645 Y649	E582-R647 VanDerWaalsContact CD-NH2 3.35Å; E582-R647 IonicContact OE1-CZ 3.23Å; E582-R647 IonicContact OE1-NH1 3.41Å; E582-R647 PolarHBondContact OE1-NH1 2.91Å; E582-R647 IonicContact OE1-NH2 2.73Å; E582-R647 PolarHBondContact OE1-NH2 3.32Å; E582-R647 IonicContact OE2-NH2 2.88Å; E582-R647 PolarHBondContact OE2-NH2 3.07Å; E582-R647 VanDerWaalsContact OE2-NH2 3.17Å; A617-R647 VanDerWaalsContact CB-NH1 3.31Å; L644-R647 CarbonylContact O-C 3.51Å; L644-R647 PolarHBondContact O-N 3.19Å; L644-R647 VanDerWaalsContact O-N 3.08Å; A645-R647 PolarHBondContact O-N 3.41Å; R647-Y649 VanDerWaalsContact C-N 3.33Å; R647-Y649 HydrophobicContact CB-CD2 3.64Å; R647-Y649 HydrophobicContact CB-CE2 3.82Å; R647-Y649 HydrophobicContact CB-CG 4.5Å
648	G	93.8	Very high	94.8	Very high	64 Å²	64	42 Å²	42	66%	0.66	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	16.4	-178	0	0	0	0	0	114.4	L644 A645 V646	L644-G648 PolarHBondContact O-N 3.43Å; A645-G648 WeakPolarHBondContact O-CA 3.42Å; A645-G648 PolarHBondContact O-N 3.09Å; V646-G648 VanDerWaalsContact C-N 3.28Å
649	Y	94.8	Very high	94.8	Very high	44 Å²	44	38.8 Å²	38.8	17%	0.173	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-100	137.8	-177.5	-63.9	-45	0	0	0	112.8	R605 C616 A617 L644 R647	R605-Y649 HydrophobicContact CG-CD1 4.5Å; C616-Y649 HydrophobicContact CB-CD1 4Å; C616-Y649 HydrophobicContact CB-CD2 4.5Å; C616-Y649 HydrophobicContact CB-CE1 3.37Å; C616-Y649 HydrophobicContact CB-CE2 3.94Å; C616-Y649 WeakPolarHBondContact CB-OH 3.34Å; A617-Y649 HydrophobicContact CB-CD2 3.99Å; A617-Y649 HydrophobicContact CB-CE2 4.01Å; L644-Y649 CarbonylContact C-O 3.4Å; L644-Y649 HydrophobicContact CD2-CD2 4.46Å; L644-Y649 WeakPolarHBondContact O-CB 3.35Å; L644-Y649 PolarHBondContact O-N 3.19Å; R647-Y649 VanDerWaalsContact C-N 3.33Å; R647-Y649 HydrophobicContact CB-CD2 3.64Å; R647-Y649 HydrophobicContact CB-CE2 3.82Å; R647-Y649 HydrophobicContact CB-CG 4.5Å
650	S	93.4	Very high	94.5	Very high	79 Å²	79	35.4 Å²	35.4	55%	0.552	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	148	168.5	-67.7	0	0	0	0	110.5	G603 G604 I652	G603-S650 WeakPolarHBondContact CA-O 3.48Å; G604-S650 PolarHBondContact N-O 2.82Å; G604-S650 PolarHBondContact O-N 3.18Å; S650-I652 PolarHBondContact O-N 2.88Å
651	V	94.9	Very high	94.2	Very high	31 Å²	31	38.2 Å²	38.2	19%	0.188	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	116.1	170.5	-176.7	0	0	0	0	108.9	L601 L644 F687	L601-V651 HydrophobicContact CD1-CG1 4.34Å; L601-V651 HydrophobicContact CD1-CG2 4.28Å; L601-V651 HydrophobicContact CD2-CG1 4.05Å; L644-V651 HydrophobicContact CD1-CG2 4.16Å; V651-F687 HydrophobicContact CG1-CE2 4.35Å
652	I	95	Very high	94	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.015	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	2.4	-173.9	55.8	167.8	0	0	0	113	L602 V613 E614 V615 S650 F687 I688	L602-I652 PolarHBondContact O-N 2.87Å; V613-I652 HydrophobicContact CG1-CD1 3.78Å; E614-I652 VanDerWaalsContact O-CD1 3.3Å; E614-I652 WeakPolarHBondContact O-CD1 3.47Å; V615-I652 HydrophobicContact CB-CD1 4.35Å; V615-I652 HydrophobicContact CG2-CD1 3.87Å; S650-I652 PolarHBondContact O-N 2.88Å; I652-F687 VanDerWaalsContact O-CA 3.28Å; I652-F687 WeakPolarHBondContact O-CA 3.46Å; I652-I688 WeakPolarHBondContact O-CG1 3.43Å; I652-I688 PolarHBondContact O-N 2.98Å
653	G	95.6	Very high	93.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.2	-174.7	176.1	0	0	0	0	0	114.4	L602 F687 I688	L602-G653 PolarHBondContact N-O 3.37Å; L602-G653 PolarHBondContact O-N 3.15Å; G653-F687 VanDerWaalsContact CA-CE2 3.46Å; G653-I688 WeakPolarHBondContact CA-O 3.35Å
654	W	96.3	Very high	93.9	Very high	10 Å²	10	33.1 Å²	33.1	4%	0.038	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	162	165.2	56.7	-100.7	0	0	0	109.7	G600 L602 H656 Q673 Y676 F687 I688 M690 I691	G600-W654 CarbonylContact O-C 3.49Å; G600-W654 VanDerWaalsContact O-CA 3.28Å; G600-W654 WeakPolarHBondContact O-CA 3.23Å; G600-W654 WeakPolarHBondContact O-CB 3.33Å; L602-W654 WeakPolarHBondContact CD1-O 3.33Å; W654-H656 AromaticContact CE3-ND1 3.71Å; W654-H656 AromaticContact CH2-CE1 3.98Å; W654-H656 AromaticContact CH2-ND1 3.65Å; W654-H656 HydrophobicContact CZ3-CB 4.5Å; W654-H656 AromaticContact CZ3-CE1 3.78Å; W654-H656 AromaticContact CZ3-ND1 3.04Å; W654-H656 WeakPolarHBondContact CZ3-ND1 3.41Å; W654-Q673 HydrophobicContact CZ2-CB 4.15Å; W654-Y676 AromaticContact CD1-CD2 3.79Å; W654-Y676 AromaticContact NE1-CD2 3.94Å; W654-F687 AromaticContact CD1-CE1 3.5Å; W654-F687 VanDerWaalsContact CD1-CE1 3.5Å; W654-F687 AromaticContact CD1-CZ 3.79Å; W654-F687 AromaticContact NE1-CE1 3.86Å; W654-I688 PolarHBondContact N-O 3.3Å; W654-M690 PolarHBondContact O-N 2.69Å; W654-I691 HydrophobicContact CH2-CG1 4.25Å; W654-I691 HydrophobicContact CZ3-CG1 4.2Å
655	Y	97.3	Very high	93.8	Very high	1 Å²	1	33.1 Å²	33.1	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	149.5	165	77.7	-81.9	0	0	0	111.6	M587 H590 I599 G600 L602 A618 M690	M587-Y655 HydrophobicContact CB-CD2 4.04Å; M587-Y655 HydrophobicContact CB-CE2 4Å; M587-Y655 HydrophobicContact CG-CD1 3.89Å; M587-Y655 HydrophobicContact CG-CD2 3.6Å; M587-Y655 HydrophobicContact CG-CE1 4.04Å; M587-Y655 HydrophobicContact CG-CE2 3.75Å; M587-Y655 HydrophobicContact CG-CG 3.64Å; M587-Y655 HydrophobicContact SD-CD1 4.31Å; M587-Y655 HydrophobicContact SD-CD2 4.2Å; M587-Y655 HydrophobicContact SD-CG 3.85Å; H590-Y655 HydrophobicContact CB-CE2 4.29Å; H590-Y655 AromaticContact ND1-CE2 3.79Å; H590-Y655 AromaticContact ND1-CZ 3.64Å; H590-Y655 PolarHBondContact ND1-OH 2.8Å; I599-Y655 CarbonylContact C-O 3.51Å; I599-Y655 VanDerWaalsContact CA-O 3.31Å; I599-Y655 WeakPolarHBondContact CA-O 3.24Å; I599-Y655 WeakPolarHBondContact CG1-O 3.45Å; G600-Y655 PolarHBondContact N-O 3.21Å; G600-Y655 PolarHBondContact O-N 3.16Å; L602-Y655 HydrophobicContact CD2-CD1 3.74Å; L602-Y655 HydrophobicContact CD2-CG 4.3Å; L602-Y655 HydrophobicContact CG-CD1 4.34Å; A618-Y655 HydrophobicContact CB-CD1 4.4Å; A618-Y655 HydrophobicContact CB-CE1 3.96Å; Y655-M690 CarbonylContact C-O 3.57Å; Y655-M690 WeakPolarHBondContact CA-O 3.45Å; Y655-M690 WeakPolarHBondContact CB-O 3.41Å
656	H	95.4	Very high	93.7	Very high	9 Å²	9	30.4 Å²	30.4	4%	0.042	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	164.3	168.3	78	-108.6	0	0	0	112.5	V598 I599 W654 H658 D669 M690 I691 V692	V598-H656 CarbonylContact O-C 3.59Å; V598-H656 WeakPolarHBondContact O-CA 3.32Å; V598-H656 WeakPolarHBondContact O-CB 3.26Å; I599-H656 HydrophobicContact CB-CB 4.38Å; I599-H656 HydrophobicContact CG1-CB 4.25Å; W654-H656 AromaticContact CE3-ND1 3.71Å; W654-H656 AromaticContact CH2-CE1 3.98Å; W654-H656 AromaticContact CH2-ND1 3.65Å; W654-H656 HydrophobicContact CZ3-CB 4.5Å; W654-H656 AromaticContact CZ3-CE1 3.78Å; W654-H656 AromaticContact CZ3-ND1 3.04Å; W654-H656 WeakPolarHBondContact CZ3-ND1 3.41Å; H656-H658 AromaticContact CD2-CD2 3.51Å; H656-H658 AromaticContact CD2-NE2 3.72Å; H656-H658 AromaticContact CE1-NE2 3.97Å; H656-H658 AromaticContact NE2-CD2 3.23Å; H656-H658 PolarHBondContact NE2-CD2 3.09Å; H656-H658 AromaticContact NE2-CE1 4Å; H656-H658 AromaticContact NE2-NE2 2.91Å; H656-H658 PolarHBondContact NE2-NE2 3.11Å; H656-D669 IonicContact CE1-OD1 3.18Å; H656-D669 IonicContact CE1-OD2 3.59Å; H656-D669 IonicContact NE2-OD2 3.23Å; H656-M690 PolarHBondContact N-O 3.46Å; H656-I691 WeakPolarHBondContact O-CA 3.48Å; H656-V692 PolarHBondContact O-N 3.33Å
657	S	95.3	Very high	93.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	142.4	177.5	69.6	0	0	0	0	113	V598 P659 V692	V598-S657 WeakPolarHBondContact CG2-OG 3.42Å; V598-S657 PolarHBondContact N-OG 3.46Å; V598-S657 PolarHBondContact O-N 3.41Å; S657-P659 WeakPolarHBondContact O-CD 3.41Å; S657-V692 CarbonylContact C-O 3.57Å; S657-V692 VanDerWaalsContact CA-O 3.24Å; S657-V692 WeakPolarHBondContact CA-O 3.45Å
658	H	93.8	Very high	93.2	Very high	2 Å²	2	27 Å²	27	1%	0.009	16%	0.159	C	C	.	.			trans	-110	84.3	162.5	-76.9	-171.6	0	0	0	107.7	H656 A660 F661 D662 N664 I691 V692 S693	H656-H658 AromaticContact CD2-CD2 3.51Å; H656-H658 AromaticContact CD2-NE2 3.72Å; H656-H658 AromaticContact CE1-NE2 3.97Å; H656-H658 AromaticContact NE2-CD2 3.23Å; H656-H658 PolarHBondContact NE2-CD2 3.09Å; H656-H658 AromaticContact NE2-CE1 4Å; H656-H658 AromaticContact NE2-NE2 2.91Å; H656-H658 PolarHBondContact NE2-NE2 3.11Å; H658-A660 VanDerWaalsContact C-N 3.28Å; H658-A660 PolarHBondContact O-N 2.79Å; H658-A660 VanDerWaalsContact O-N 3.09Å; H658-F661 HydrophobicContact CB-CD1 4.47Å; H658-F661 HydrophobicContact CB-CD2 3.71Å; H658-F661 HydrophobicContact CB-CE1 4.35Å; H658-F661 HydrophobicContact CB-CE2 3.62Å; H658-F661 HydrophobicContact CB-CG 4.17Å; H658-F661 HydrophobicContact CB-CZ 3.94Å; H658-F661 WeakPolarHBondContact CB-O 3.31Å; H658-F661 AromaticContact CD2-CE2 3.4Å; H658-F661 WeakPolarHBondContact CD2-CE2 3.34Å; H658-F661 AromaticContact CD2-CZ 3.73Å; H658-F661 AromaticContact CE1-CE2 3.58Å; H658-F661 AromaticContact CG-CD2 3.61Å; H658-F661 AromaticContact CG-CE2 3.19Å; H658-F661 AromaticContact CG-CZ 3.79Å; H658-F661 AromaticContact ND1-CD2 3.5Å; H658-F661 WeakPolarHBondContact ND1-CD2 3.43Å; H658-F661 AromaticContact ND1-CE2 3.31Å; H658-F661 VanDerWaalsContact ND1-CE2 3.31Å; H658-F661 WeakPolarHBondContact ND1-CE2 3.14Å; H658-F661 AromaticContact NE2-CE2 3.66Å; H658-D662 PolarHBondContact ND1-O 3.35Å; H658-N664 PolarHBondContact CE1-O 3.1Å; H658-I691 HydrophobicContact CB-CG2 4.11Å; H658-V692 PolarHBondContact N-O 3.02Å; H658-S693 WeakPolarHBondContact O-CA 3.39Å; H658-S693 PolarHBondContact O-OG 3.33Å
659	P	91.5	Very high	93.1	Very high	4 Å²	4	25.3 Å²	25.3	3%	0.026	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-35.7	-161.9	-30.4	38.3	0	0	0	115	S594 S657 Y695	S594-P659 WeakPolarHBondContact O-CG 3.45Å; S657-P659 WeakPolarHBondContact O-CD 3.41Å; P659-Y695 CarbonylContact O-C 3.58Å; P659-Y695 VanDerWaalsContact O-CA 3.3Å; P659-Y695 WeakPolarHBondContact O-CA 3.32Å; P659-Y695 VanDerWaalsContact O-CB 3.22Å; P659-Y695 WeakPolarHBondContact O-CB 3.21Å; P659-Y695 PolarHBondContact O-N 3.46Å
660	A	88.9	Confident	93	Very high	35 Å²	35	23.4 Å²	23.4	29%	0.289	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129	9.8	-171.6	0	0	0	0	0	115	M595 H658	M595-A660 HydrophobicContact CE-CB 4.31Å; H658-A660 VanDerWaalsContact C-N 3.28Å; H658-A660 PolarHBondContact O-N 2.79Å; H658-A660 VanDerWaalsContact O-N 3.09Å
661	F	89.4	Confident	92.9	Very high	63 Å²	63	23.5 Å²	23.5	28%	0.276	12%	0.121	S	C	.	.	S	Bend	trans	-142.8	166.2	-173.2	53	-84.8	0	0	0	112.1	L561 H658 S693	L561-F661 HydrophobicContact CD1-CD2 3.83Å; L561-F661 HydrophobicContact CD1-CE2 4.49Å; L561-F661 HydrophobicContact CD2-CD2 4.47Å; L561-F661 HydrophobicContact CD2-CE2 4.35Å; H658-F661 HydrophobicContact CB-CD1 4.47Å; H658-F661 HydrophobicContact CB-CD2 3.71Å; H658-F661 HydrophobicContact CB-CE1 4.35Å; H658-F661 HydrophobicContact CB-CE2 3.62Å; H658-F661 HydrophobicContact CB-CG 4.17Å; H658-F661 HydrophobicContact CB-CZ 3.94Å; H658-F661 WeakPolarHBondContact CB-O 3.31Å; H658-F661 AromaticContact CD2-CE2 3.4Å; H658-F661 WeakPolarHBondContact CD2-CE2 3.34Å; H658-F661 AromaticContact CD2-CZ 3.73Å; H658-F661 AromaticContact CE1-CE2 3.58Å; H658-F661 AromaticContact CG-CD2 3.61Å; H658-F661 AromaticContact CG-CE2 3.19Å; H658-F661 AromaticContact CG-CZ 3.79Å; H658-F661 AromaticContact ND1-CD2 3.5Å; H658-F661 WeakPolarHBondContact ND1-CD2 3.43Å; H658-F661 AromaticContact ND1-CE2 3.31Å; H658-F661 VanDerWaalsContact ND1-CE2 3.31Å; H658-F661 WeakPolarHBondContact ND1-CE2 3.14Å; H658-F661 AromaticContact NE2-CE2 3.66Å; F661-S693 WeakPolarHBondContact O-CB 3.2Å; F661-S693 PolarHBondContact O-OG 2.58Å
662	D	90.3	Very high	92.7	Very high	47 Å²	47	24 Å²	24	25%	0.251	13%	0.125	S	C	.	.			trans	-59.5	140.4	-170.2	-65.6	-77.1	0	0	0	113.4	H658 N664 N696 N698	H658-D662 PolarHBondContact ND1-O 3.35Å; D662-N664 PolarHBondContact O-N 3.44Å; D662-N696 PolarHBondContact OD1-ND2 2.89Å; D662-N698 PolarHBondContact OD2-ND2 3.31Å
663	P	93	Very high	92.6	Very high	8 Å²	8	23.9 Å²	23.9	5%	0.052	12%	0.124	C	C	.	.	S	Bend	trans	-79.7	58.2	179.2	34.7	-36.1	0	0	0	111.7	I691 Q705 T707	P663-I691 HydrophobicContact CB-CB 4.14Å; P663-I691 HydrophobicContact CB-CG2 3.83Å; P663-Q705 HydrophobicContact CG-CB 3.73Å; P663-T707 WeakPolarHBondContact O-CB 3.28Å; P663-T707 PolarHBondContact O-OG1 3.42Å
664	N	94	Very high	92.5	Very high	43 Å²	43	24.6 Å²	24.6	23%	0.23	13%	0.13	C	C	.	.			trans	-110.2	135	171.5	-73.5	-51.8	0	0	0	108.3	L561 H658 D662	L561-N664 HydrophobicContact CB-CB 4.45Å; H658-N664 PolarHBondContact CE1-O 3.1Å; D662-N664 PolarHBondContact O-N 3.44Å
665	P	93.6	Very high	92.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.			trans	-65.2	143.2	-176.9	28.3	-36	0	0	0	112.2	I562 C564 D669 I670 I691 L709 P724	I562-P665 PolarHBondContact N-O 3.45Å; I562-P665 WeakPolarHBondContact O-CD 3.24Å; C564-P665 WeakPolarHBondContact SG-CD 3.44Å; P665-D669 HydrophobicContact CB-CB 3.87Å; P665-I670 HydrophobicContact CB-CG1 4.19Å; P665-I670 HydrophobicContact CG-CG1 4.21Å; P665-I691 HydrophobicContact CB-CD1 3.97Å; P665-L709 HydrophobicContact CB-CD2 3.97Å; P665-L709 HydrophobicContact CG-CD2 4.03Å; P665-P724 HydrophobicContact CG-CB 3.78Å; P665-P724 HydrophobicContact CG-CG 4.01Å
666	S	92.1	Very high	91.9	Very high	7 Å²	7	33.2 Å²	33.2	5%	0.049	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-72.9	166.4	166.1	71.6	0	0	0	0	111.7	Q560 R668 D669 I670	Q560-S666 CarbonylContact O-C 3.43Å; Q560-S666 WeakPolarHBondContact O-CA 3.3Å; S666-R668 PolarHBondContact O-N 3.25Å; S666-R668 PolarHBondContact OG-N 3.15Å; S666-D669 VanDerWaalsContact CB-OD2 3.31Å; S666-D669 WeakPolarHBondContact CB-OD2 3.38Å; S666-D669 PolarHBondContact N-OD2 2.7Å; S666-D669 PolarHBondContact O-N 2.97Å; S666-D669 PolarHBondContact OG-N 3.06Å; S666-D669 VanDerWaalsContact OG-N 3.17Å; S666-D669 PolarHBondContact OG-OD1 2.83Å; S666-D669 PolarHBondContact OG-OD2 3.48Å; S666-I670 WeakPolarHBondContact O-CG1 3.17Å; S666-I670 PolarHBondContact O-N 2.95Å
667	L	90.8	Very high	91.8	Very high	21 Å²	21	34.4 Å²	34.4	11%	0.11	17%	0.171	C	C	.	.	H	α-helix	trans	-57.2	-31.2	168.8	-71.1	177	0	0	0	112.3	F556 P558 Q560 I562 I670 D671 Y721	F556-L667 HydrophobicContact CB-CD1 3.73Å; F556-L667 HydrophobicContact CG-CD1 4.46Å; P558-L667 WeakPolarHBondContact O-CB 3.23Å; P558-L667 PolarHBondContact O-N 2.97Å; Q560-L667 HydrophobicContact CB-CD1 4.31Å; Q560-L667 PolarHBondContact O-N 3.21Å; Q560-L667 VanDerWaalsContact O-N 3.07Å; I562-L667 HydrophobicContact CD1-CD2 3.93Å; I562-L667 HydrophobicContact CD1-CG 4.15Å; I562-L667 HydrophobicContact CG1-CD2 3.68Å; I562-L667 HydrophobicContact CG1-CG 4Å; L667-I670 HydrophobicContact CD2-CD1 4.35Å; L667-D671 WeakPolarHBondContact O-CB 3.47Å; L667-D671 PolarHBondContact O-N 3.16Å; L667-D671 VanDerWaalsContact O-N 3.11Å; L667-Y721 VanDerWaalsContact CD2-CB 3.46Å; L667-Y721 HydrophobicContact CD2-CD1 3.67Å; L667-Y721 HydrophobicContact CD2-CD2 4.34Å; L667-Y721 HydrophobicContact CD2-CG 3.58Å
668	R	88.3	Confident	91.6	Very high	97 Å²	97	38 Å²	38	37%	0.366	20%	0.196	S	C	.	.	H	α-helix	trans	-65.9	-38.6	171.9	-77.9	-72.1	-179.9	-112.1	-3.2	113.1	P558 F559 S666 D671 T672	P558-R668 HydrophobicContact CB-CG 3.74Å; P558-R668 VanDerWaalsContact CB-CZ 3.43Å; P558-R668 WeakPolarHBondContact O-CG 3.41Å; P558-R668 PolarHBondContact O-N 3.34Å; F559-R668 HydrophobicContact CD1-CG 4.49Å; F559-R668 HydrophobicContact CE1-CG 4.2Å; S666-R668 PolarHBondContact O-N 3.25Å; S666-R668 PolarHBondContact OG-N 3.15Å; R668-D671 PolarHBondContact O-N 3.37Å; R668-T672 VanDerWaalsContact O-CB 3.26Å; R668-T672 WeakPolarHBondContact O-CB 3.25Å; R668-T672 PolarHBondContact O-N 3.23Å; R668-T672 PolarHBondContact O-OG1 2.94Å
669	D	91.6	Very high	91.4	Very high	27 Å²	27	45.1 Å²	45.1	14%	0.144	22%	0.224	C	C	.	.	H	α-helix	trans	-72.3	-42.6	-178.5	-52.5	-40.4	0	0	0	110.7	H656 P665 S666 D671 T672 Q673	H656-D669 IonicContact CE1-OD1 3.18Å; H656-D669 IonicContact CE1-OD2 3.59Å; H656-D669 IonicContact NE2-OD2 3.23Å; P665-D669 HydrophobicContact CB-CB 3.87Å; S666-D669 VanDerWaalsContact CB-OD2 3.31Å; S666-D669 WeakPolarHBondContact CB-OD2 3.38Å; S666-D669 PolarHBondContact N-OD2 2.7Å; S666-D669 PolarHBondContact O-N 2.97Å; S666-D669 PolarHBondContact OG-N 3.06Å; S666-D669 VanDerWaalsContact OG-N 3.17Å; S666-D669 PolarHBondContact OG-OD1 2.83Å; S666-D669 PolarHBondContact OG-OD2 3.48Å; D669-D671 VanDerWaalsContact C-N 3.31Å; D669-D671 PolarHBondContact O-N 2.87Å; D669-T672 PolarHBondContact O-N 2.78Å; D669-Q673 WeakPolarHBondContact O-CB 3.32Å; D669-Q673 PolarHBondContact O-N 3.39Å
670	I	93.1	Very high	91.2	Very high	5 Å²	5	47.5 Å²	47.5	3%	0.026	23%	0.234	C	C	.	.	H	α-helix	trans	-55	-49.9	171.6	-68.3	167.6	0	0	0	110.3	I562 P665 S666 L667 T672 A674 I711 Y721 R722 P724	I562-I670 HydrophobicContact CB-CD1 3.76Å; I562-I670 HydrophobicContact CG1-CD1 3.76Å; I562-I670 HydrophobicContact CG2-CD1 4Å; P665-I670 HydrophobicContact CB-CG1 4.19Å; P665-I670 HydrophobicContact CG-CG1 4.21Å; S666-I670 WeakPolarHBondContact O-CG1 3.17Å; S666-I670 PolarHBondContact O-N 2.95Å; L667-I670 HydrophobicContact CD2-CD1 4.35Å; I670-T672 VanDerWaalsContact C-N 3.27Å; I670-T672 PolarHBondContact O-N 3.4Å; I670-A674 WeakPolarHBondContact O-CB 3.41Å; I670-A674 PolarHBondContact O-N 2.93Å; I670-I711 HydrophobicContact CB-CD1 4.15Å; I670-I711 HydrophobicContact CG1-CD1 3.85Å; I670-I711 HydrophobicContact CG2-CD1 4.13Å; I670-I711 HydrophobicContact CG2-CG1 4.47Å; I670-I711 HydrophobicContact CG2-CG2 4.11Å; I670-Y721 HydrophobicContact CD1-CD2 4.26Å; I670-R722 HydrophobicContact CG2-CB 4.17Å; I670-R722 VanDerWaalsContact CG2-O 3.27Å; I670-R722 WeakPolarHBondContact CG2-O 3.48Å; I670-P724 HydrophobicContact CD1-CG 3.98Å; I670-P724 HydrophobicContact CG1-CB 4.35Å; I670-P724 HydrophobicContact CG1-CG 4.35Å
671	D	90.9	Very high	91.1	Very high	80 Å²	80	49 Å²	49	43%	0.428	24%	0.243	S	C	.	.	H	α-helix	trans	-67.5	-28.5	-177.1	-155.5	50.7	0	0	0	111.8	L667 R668 D669 K675	L667-D671 WeakPolarHBondContact O-CB 3.47Å; L667-D671 PolarHBondContact O-N 3.16Å; L667-D671 VanDerWaalsContact O-N 3.11Å; R668-D671 PolarHBondContact O-N 3.37Å; D669-D671 VanDerWaalsContact C-N 3.31Å; D669-D671 PolarHBondContact O-N 2.87Å; D671-K675 VanDerWaalsContact C-NZ 3.32Å; D671-K675 VanDerWaalsContact CG-NZ 3.3Å; D671-K675 WeakPolarHBondContact O-CD 3.33Å; D671-K675 WeakPolarHBondContact O-CE 3.18Å; D671-K675 VanDerWaalsContact O-CG 3.22Å; D671-K675 WeakPolarHBondContact O-CG 3.27Å; D671-K675 PolarHBondContact O-NZ 3.41Å; D671-K675 IonicContact OD1-NZ 3.66Å; D671-K675 IonicContact OD2-NZ 2.74Å; D671-K675 PolarHBondContact OD2-NZ 3.38Å
672	T	90	Very high	90.8	Very high	43 Å²	43	55.6 Å²	55.6	26%	0.264	27%	0.266	S	S	.	.	H	α-helix	trans	-85.8	-45.6	179.8	-60.1	0	0	0	0	111.7	R668 D669 I670 A674 K675 Y676	R668-T672 VanDerWaalsContact O-CB 3.26Å; R668-T672 WeakPolarHBondContact O-CB 3.25Å; R668-T672 PolarHBondContact O-N 3.23Å; R668-T672 PolarHBondContact O-OG1 2.94Å; D669-T672 PolarHBondContact O-N 2.78Å; I670-T672 VanDerWaalsContact C-N 3.27Å; I670-T672 PolarHBondContact O-N 3.4Å; T672-A674 VanDerWaalsContact C-N 3.34Å; T672-A674 PolarHBondContact O-N 3.34Å; T672-K675 WeakPolarHBondContact O-CB 3.34Å; T672-K675 PolarHBondContact O-N 3.33Å; T672-K675 VanDerWaalsContact O-N 3.1Å; T672-Y676 HydrophobicContact CG2-CD2 3.98Å; T672-Y676 HydrophobicContact CG2-CE2 3.5Å; T672-Y676 PolarHBondContact O-N 3.29Å
673	Q	93.8	Very high	90	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.4	-39.1	175.4	178.5	59.2	3.5	0	0	112.1	W654 D669 K675 Y676 Q677 F687 I688 L709 I711	W654-Q673 HydrophobicContact CZ2-CB 4.15Å; D669-Q673 WeakPolarHBondContact O-CB 3.32Å; D669-Q673 PolarHBondContact O-N 3.39Å; Q673-K675 VanDerWaalsContact C-N 3.26Å; Q673-K675 PolarHBondContact O-N 3.11Å; Q673-Y676 PolarHBondContact O-N 2.97Å; Q673-Q677 HydrophobicContact CG-CG 4.44Å; Q673-Q677 VanDerWaalsContact CG-OE1 3.25Å; Q673-Q677 WeakPolarHBondContact O-CB 3.47Å; Q673-Q677 WeakPolarHBondContact O-CG 3.47Å; Q673-Q677 PolarHBondContact O-N 3.2Å; Q673-F687 PolarHBondContact NE2-O 2.85Å; Q673-F687 VanDerWaalsContact NE2-O 3.09Å; Q673-F687 VanDerWaalsContact OE1-CE1 3.3Å; Q673-I688 VanDerWaalsContact NE2-C 3.29Å; Q673-L709 HydrophobicContact CG-CD1 4.02Å; Q673-I711 HydrophobicContact CB-CG1 3.85Å; Q673-I711 HydrophobicContact CG-CD1 4.5Å; Q673-I711 HydrophobicContact CG-CG1 3.63Å
674	A	92.5	Very high	89.2	Confident	14 Å²	14	57.7 Å²	57.7	12%	0.116	30%	0.299	C	S	.	.	H	α-helix	trans	-60.6	-35	173.6	0	0	0	0	0	112.8	I670 T672 S678 I711	I670-A674 WeakPolarHBondContact O-CB 3.41Å; I670-A674 PolarHBondContact O-N 2.93Å; T672-A674 VanDerWaalsContact C-N 3.34Å; T672-A674 PolarHBondContact O-N 3.34Å; A674-S678 VanDerWaalsContact O-CB 3.31Å; A674-S678 WeakPolarHBondContact O-CB 3.46Å; A674-S678 PolarHBondContact O-N 3.01Å; A674-S678 VanDerWaalsContact O-N 3.16Å; A674-I711 HydrophobicContact CB-CB 4.46Å; A674-I711 HydrophobicContact CB-CG2 4.14Å
675	K	91.3	Very high	88.6	Confident	113 Å²	113	57.1 Å²	57.1	49%	0.491	30%	0.301	S	S	.	.	H	α-helix	trans	-70.1	-47.4	175.5	-65.2	161.4	-166.3	126.1	0	110.8	D671 T672 Q673 S678 Y679	D671-K675 VanDerWaalsContact C-NZ 3.32Å; D671-K675 VanDerWaalsContact CG-NZ 3.3Å; D671-K675 WeakPolarHBondContact O-CD 3.33Å; D671-K675 WeakPolarHBondContact O-CE 3.18Å; D671-K675 VanDerWaalsContact O-CG 3.22Å; D671-K675 WeakPolarHBondContact O-CG 3.27Å; D671-K675 PolarHBondContact O-NZ 3.41Å; D671-K675 IonicContact OD1-NZ 3.66Å; D671-K675 IonicContact OD2-NZ 2.74Å; D671-K675 PolarHBondContact OD2-NZ 3.38Å; T672-K675 WeakPolarHBondContact O-CB 3.34Å; T672-K675 PolarHBondContact O-N 3.33Å; T672-K675 VanDerWaalsContact O-N 3.1Å; Q673-K675 VanDerWaalsContact C-N 3.26Å; Q673-K675 PolarHBondContact O-N 3.11Å; K675-S678 PolarHBondContact O-N 2.83Å; K675-Y679 WeakPolarHBondContact O-CB 3.46Å; K675-Y679 PolarHBondContact O-N 2.67Å
676	Y	91.4	Very high	88.4	Confident	80 Å²	80	60.2 Å²	60.2	31%	0.314	31%	0.314	S	S	.	.	H	α-helix	trans	-65.4	-45.1	178.5	-66.7	-43.9	0	0	0	112.3	W654 T672 Q673 S678 Y679 F680 F687	W654-Y676 AromaticContact CD1-CD2 3.79Å; W654-Y676 AromaticContact NE1-CD2 3.94Å; T672-Y676 HydrophobicContact CG2-CD2 3.98Å; T672-Y676 HydrophobicContact CG2-CE2 3.5Å; T672-Y676 PolarHBondContact O-N 3.29Å; Q673-Y676 PolarHBondContact O-N 2.97Å; Y676-S678 VanDerWaalsContact C-N 3.29Å; Y676-S678 PolarHBondContact O-N 3.4Å; Y676-Y679 WeakPolarHBondContact O-CA 3.34Å; Y676-Y679 WeakPolarHBondContact O-CB 3.45Å; Y676-Y679 PolarHBondContact O-N 2.79Å; Y676-F680 HydrophobicContact CD1-CE2 4.43Å; Y676-F680 VanDerWaalsContact O-CD2 3.31Å; Y676-F680 WeakPolarHBondContact O-CD2 3.42Å; Y676-F680 PolarHBondContact O-N 3.31Å; Y676-F687 AromaticContact CD2-CE1 3.97Å; Y676-F687 HydrophobicContact CD2-CE1 3.97Å; Y676-F687 HydrophobicContact CD2-CZ 4.29Å; Y676-F687 AromaticContact CG-CE1 3.95Å; Y676-F687 HydrophobicContact CG-CE1 3.95Å; Y676-F687 HydrophobicContact CG-CZ 4.22Å
677	Q	92.4	Very high	88.6	Confident	33 Å²	33	60.4 Å²	60.4	15%	0.154	31%	0.314	C	S	.	.	H	α-helix	trans	-53.3	-45.2	172	-80.7	175.1	-141	0	0	112.5	Q673 Y679 S681 F687 I711	Q673-Q677 HydrophobicContact CG-CG 4.44Å; Q673-Q677 VanDerWaalsContact CG-OE1 3.25Å; Q673-Q677 WeakPolarHBondContact O-CB 3.47Å; Q673-Q677 WeakPolarHBondContact O-CG 3.47Å; Q673-Q677 PolarHBondContact O-N 3.2Å; Q677-Y679 VanDerWaalsContact C-N 3.29Å; Q677-Y679 PolarHBondContact O-N 3.15Å; Q677-S681 WeakPolarHBondContact O-CB 3.49Å; Q677-S681 PolarHBondContact O-N 3.32Å; Q677-S681 VanDerWaalsContact O-N 3.07Å; Q677-S681 PolarHBondContact O-OG 3.02Å; Q677-F687 HydrophobicContact CG-CB 4.3Å; Q677-F687 WeakPolarHBondContact CG-O 3.37Å; Q677-I711 PolarHBondContact NE2-O 3.35Å
678	S	90.8	Very high	88.8	Confident	75 Å²	75	59.4 Å²	59.4	52%	0.524	31%	0.309	S	S	.	.	H	α-helix	trans	-69.6	-23.8	177.2	-171.7	0	0	0	0	113.6	A674 K675 Y676 R682	A674-S678 VanDerWaalsContact O-CB 3.31Å; A674-S678 WeakPolarHBondContact O-CB 3.46Å; A674-S678 PolarHBondContact O-N 3.01Å; A674-S678 VanDerWaalsContact O-N 3.16Å; K675-S678 PolarHBondContact O-N 2.83Å; Y676-S678 VanDerWaalsContact C-N 3.29Å; Y676-S678 PolarHBondContact O-N 3.4Å; S678-R682 WeakPolarHBondContact O-CG 3.46Å
679	Y	89.1	Confident	89.2	Confident	152 Å²	152	54.8 Å²	54.8	60%	0.596	29%	0.291	S	S	*	.	H	α-helix	trans	-78.3	-54.6	174.9	-173.6	-96.6	0	0	0	111.8	K675 Y676 Q677 R682	K675-Y679 WeakPolarHBondContact O-CB 3.46Å; K675-Y679 PolarHBondContact O-N 2.67Å; Y676-Y679 WeakPolarHBondContact O-CA 3.34Å; Y676-Y679 WeakPolarHBondContact O-CB 3.45Å; Y676-Y679 PolarHBondContact O-N 2.79Å; Q677-Y679 VanDerWaalsContact C-N 3.29Å; Q677-Y679 PolarHBondContact O-N 3.15Å; Y679-R682 WeakPolarHBondContact O-CB 3.32Å; Y679-R682 PolarHBondContact O-N 2.96Å
680	F	88.1	Confident	89.5	Confident	55 Å²	55	53.5 Å²	53.5	24%	0.241	29%	0.285	C	S	.	.	H	α-helix	trans	-71.8	-33.7	-175.1	-75.3	-79.6	0	0	0	113.3	Y676 R682 G683 A685 F687	Y676-F680 HydrophobicContact CD1-CE2 4.43Å; Y676-F680 VanDerWaalsContact O-CD2 3.31Å; Y676-F680 WeakPolarHBondContact O-CD2 3.42Å; Y676-F680 PolarHBondContact O-N 3.31Å; F680-R682 PolarHBondContact O-N 3Å; F680-R682 VanDerWaalsContact O-N 3.1Å; F680-G683 PolarHBondContact O-N 2.91Å; F680-A685 CarbonylContact C-O 3.59Å; F680-A685 HydrophobicContact CB-CB 4.44Å; F680-F687 HydrophobicContact CB-CB 4.09Å; F680-F687 HydrophobicContact CB-CD2 4.19Å; F680-F687 HydrophobicContact CB-CG 4.39Å; F680-F687 HydrophobicContact CD1-CD2 4.32Å; F680-F687 HydrophobicContact CD2-CB 4.37Å; F680-F687 HydrophobicContact CD2-CD1 4.43Å; F680-F687 AromaticContact CD2-CD2 3.25Å; F680-F687 HydrophobicContact CD2-CD2 3.25Å; F680-F687 AromaticContact CD2-CE2 3.49Å; F680-F687 HydrophobicContact CD2-CE2 3.49Å; F680-F687 VanDerWaalsContact CD2-CE2 3.49Å; F680-F687 AromaticContact CD2-CG 3.77Å; F680-F687 HydrophobicContact CD2-CG 3.77Å; F680-F687 HydrophobicContact CD2-CZ 4.2Å; F680-F687 AromaticContact CE2-CD2 3.62Å; F680-F687 HydrophobicContact CE2-CD2 3.62Å; F680-F687 AromaticContact CE2-CE2 3.3Å; F680-F687 HydrophobicContact CE2-CE2 3.3Å; F680-F687 HydrophobicContact CE2-CG 4.41Å; F680-F687 AromaticContact CE2-CZ 3.9Å; F680-F687 HydrophobicContact CE2-CZ 3.9Å; F680-F687 HydrophobicContact CG-CB 4.48Å; F680-F687 AromaticContact CG-CD2 3.66Å; F680-F687 HydrophobicContact CG-CD2 3.66Å; F680-F687 HydrophobicContact CG-CE2 4.23Å; F680-F687 HydrophobicContact CG-CG 4.26Å; F680-F687 HydrophobicContact CZ-CD2 4.28Å; F680-F687 AromaticContact CZ-CE2 3.88Å; F680-F687 HydrophobicContact CZ-CE2 3.88Å
681	S	85.8	Confident	89.7	Confident	66 Å²	66	53.2 Å²	53.2	46%	0.462	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-60.6	-21.3	176.5	56.6	0	0	0	0	114.3	Q677 G683 G684 A685	Q677-S681 WeakPolarHBondContact O-CB 3.49Å; Q677-S681 PolarHBondContact O-N 3.32Å; Q677-S681 VanDerWaalsContact O-N 3.07Å; Q677-S681 PolarHBondContact O-OG 3.02Å; S681-G683 PolarHBondContact O-N 3.49Å; S681-G684 PolarHBondContact O-N 3.42Å; S681-A685 WeakPolarHBondContact CA-O 3.34Å; S681-A685 PolarHBondContact N-O 2.9Å
682	R	83.6	Confident	90	Very high	202 Å²	202	49.4 Å²	49.4	76%	0.762	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-65.7	-20.2	173	-64.3	170.8	61.9	-150.3	-5.1	113.1	S678 Y679 F680	S678-R682 WeakPolarHBondContact O-CG 3.46Å; Y679-R682 WeakPolarHBondContact O-CB 3.32Å; Y679-R682 PolarHBondContact O-N 2.96Å; F680-R682 PolarHBondContact O-N 3Å; F680-R682 VanDerWaalsContact O-N 3.1Å
683	G	74.7	Confident	90.2	Very high	70 Å²	70	47.4 Å²	47.4	72%	0.722	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-102.4	19.2	170	0	0	0	0	0	113.4	F680 S681 A685	F680-G683 PolarHBondContact O-N 2.91Å; S681-G683 PolarHBondContact O-N 3.49Å; G683-A685 PolarHBondContact O-N 3.06Å
684	G	76.3	Confident	90.3	Very high	28 Å²	28	47.5 Å²	47.5	29%	0.289	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	-30.5	-176.4	0	0	0	0	0	114.8	S681	S681-G684 PolarHBondContact O-N 3.42Å
685	A	80.9	Confident	90.3	Very high	31 Å²	31	48 Å²	48	26%	0.256	25%	0.25	S	C	.	.			trans	-53.6	138.1	-176.5	0	0	0	0	0	113.7	F680 S681 G683	F680-A685 CarbonylContact C-O 3.59Å; F680-A685 HydrophobicContact CB-CB 4.44Å; S681-A685 WeakPolarHBondContact CA-O 3.34Å; S681-A685 PolarHBondContact N-O 2.9Å; G683-A685 PolarHBondContact O-N 3.06Å
686	K	89.9	Confident	90.2	Very high	66 Å²	66	42.8 Å²	42.8	29%	0.287	23%	0.228	S	C	.	.			trans	-82.9	153.1	166.5	-52.7	-50.4	175.1	-153.7	0	109.6	F575 Y606 V613	F575-K686 HydrophobicContact CD1-CB 4.27Å; F575-K686 HydrophobicContact CD1-CD 3.99Å; F575-K686 HydrophobicContact CD1-CG 3.77Å; F575-K686 HydrophobicContact CE1-CB 3.82Å; F575-K686 HydrophobicContact CE1-CD 3.91Å; F575-K686 HydrophobicContact CE1-CG 3.76Å; F575-K686 HydrophobicContact CE2-CB 4.4Å; F575-K686 HydrophobicContact CG-CG 4.32Å; F575-K686 HydrophobicContact CZ-CB 3.88Å; F575-K686 HydrophobicContact CZ-CG 4.3Å; Y606-K686 HydrophobicContact CD1-CG 4.06Å; Y606-K686 HydrophobicContact CD2-CG 3.87Å; Y606-K686 HydrophobicContact CE1-CD 4.28Å; Y606-K686 HydrophobicContact CE1-CG 3.8Å; Y606-K686 HydrophobicContact CE2-CG 3.63Å; Y606-K686 HydrophobicContact CG-CG 4.11Å; Y606-K686 WeakPolarHBondContact OH-CE 3.4Å; V613-K686 HydrophobicContact CG2-CB 3.78Å; V613-K686 HydrophobicContact CG2-CG 4.12Å
687	F	94.5	Very high	89.9	Confident	10 Å²	10	46.2 Å²	46.2	4%	0.044	24%	0.24	C	C	.	.			trans	-141.9	127.5	-177	-164.1	-92.3	0	0	0	110.6	V651 I652 G653 W654 Q673 Y676 Q677 F680	V651-F687 HydrophobicContact CG1-CE2 4.35Å; I652-F687 VanDerWaalsContact O-CA 3.28Å; I652-F687 WeakPolarHBondContact O-CA 3.46Å; G653-F687 VanDerWaalsContact CA-CE2 3.46Å; W654-F687 AromaticContact CD1-CE1 3.5Å; W654-F687 VanDerWaalsContact CD1-CE1 3.5Å; W654-F687 AromaticContact CD1-CZ 3.79Å; W654-F687 AromaticContact NE1-CE1 3.86Å; Q673-F687 PolarHBondContact NE2-O 2.85Å; Q673-F687 VanDerWaalsContact NE2-O 3.09Å; Q673-F687 VanDerWaalsContact OE1-CE1 3.3Å; Y676-F687 AromaticContact CD2-CE1 3.97Å; Y676-F687 HydrophobicContact CD2-CE1 3.97Å; Y676-F687 HydrophobicContact CD2-CZ 4.29Å; Y676-F687 AromaticContact CG-CE1 3.95Å; Y676-F687 HydrophobicContact CG-CE1 3.95Å; Y676-F687 HydrophobicContact CG-CZ 4.22Å; Q677-F687 HydrophobicContact CG-CB 4.3Å; Q677-F687 WeakPolarHBondContact CG-O 3.37Å; F680-F687 HydrophobicContact CB-CB 4.09Å; F680-F687 HydrophobicContact CB-CD2 4.19Å; F680-F687 HydrophobicContact CB-CG 4.39Å; F680-F687 HydrophobicContact CD1-CD2 4.32Å; F680-F687 HydrophobicContact CD2-CB 4.37Å; F680-F687 HydrophobicContact CD2-CD1 4.43Å; F680-F687 AromaticContact CD2-CD2 3.25Å; F680-F687 HydrophobicContact CD2-CD2 3.25Å; F680-F687 AromaticContact CD2-CE2 3.49Å; F680-F687 HydrophobicContact CD2-CE2 3.49Å; F680-F687 VanDerWaalsContact CD2-CE2 3.49Å; F680-F687 AromaticContact CD2-CG 3.77Å; F680-F687 HydrophobicContact CD2-CG 3.77Å; F680-F687 HydrophobicContact CD2-CZ 4.2Å; F680-F687 AromaticContact CE2-CD2 3.62Å; F680-F687 HydrophobicContact CE2-CD2 3.62Å; F680-F687 AromaticContact CE2-CE2 3.3Å; F680-F687 HydrophobicContact CE2-CE2 3.3Å; F680-F687 HydrophobicContact CE2-CG 4.41Å; F680-F687 AromaticContact CE2-CZ 3.9Å; F680-F687 HydrophobicContact CE2-CZ 3.9Å; F680-F687 HydrophobicContact CG-CB 4.48Å; F680-F687 AromaticContact CG-CD2 3.66Å; F680-F687 HydrophobicContact CG-CD2 3.66Å; F680-F687 HydrophobicContact CG-CE2 4.23Å; F680-F687 HydrophobicContact CG-CG 4.26Å; F680-F687 HydrophobicContact CZ-CD2 4.28Å; F680-F687 AromaticContact CZ-CE2 3.88Å; F680-F687 HydrophobicContact CZ-CE2 3.88Å
688	I	96.1	Very high	89.7	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	155.4	-175.4	56.7	168.1	0	0	0	111.8	F575 V577 L602 V615 I652 G653 W654 Q673 M690 F727	F575-I688 HydrophobicContact CE2-CG2 3.79Å; F575-I688 HydrophobicContact CZ-CG2 3.91Å; V577-I688 HydrophobicContact CG1-CD1 4.13Å; V577-I688 HydrophobicContact CG2-CG2 4.5Å; L602-I688 HydrophobicContact CD1-CD1 4.35Å; L602-I688 HydrophobicContact CD1-CG1 4.44Å; V615-I688 HydrophobicContact CG2-CD1 3.65Å; I652-I688 WeakPolarHBondContact O-CG1 3.43Å; I652-I688 PolarHBondContact O-N 2.98Å; G653-I688 WeakPolarHBondContact CA-O 3.35Å; W654-I688 PolarHBondContact N-O 3.3Å; Q673-I688 VanDerWaalsContact NE2-C 3.29Å; I688-M690 HydrophobicContact CD1-SD 4.44Å; I688-F727 HydrophobicContact CG2-CE2 3.97Å
689	G	96.4	Very high	89.5	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	144.6	166.8	0	0	0	0	0	110.3	C708 L709	G689-C708 CarbonylContact O-C 3.51Å; G689-C708 WeakPolarHBondContact O-CA 3.27Å; G689-L709 PolarHBondContact N-O 2.82Å; G689-L709 VanDerWaalsContact N-O 3.08Å; G689-L709 PolarHBondContact O-N 2.97Å
690	M	97.4	Very high	89.2	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	129	172.8	-65	-171.8	69.1	0	0	111.4	V579 M587 L602 W654 Y655 H656 I688 I706 T707 C708	V579-M690 HydrophobicContact CG2-CE 4.34Å; V579-M690 HydrophobicContact CG2-SD 4.44Å; M587-M690 HydrophobicContact CE-CE 3.74Å; M587-M690 HydrophobicContact CE-SD 3.9Å; M587-M690 HydrophobicContact SD-CB 4.25Å; M587-M690 HydrophobicContact SD-CE 4.15Å; M587-M690 HydrophobicContact SD-SD 4Å; L602-M690 HydrophobicContact CD1-CB 4.12Å; L602-M690 HydrophobicContact CD1-CG 3.68Å; L602-M690 HydrophobicContact CD1-SD 3.64Å; W654-M690 PolarHBondContact O-N 2.69Å; Y655-M690 CarbonylContact C-O 3.57Å; Y655-M690 WeakPolarHBondContact CA-O 3.45Å; Y655-M690 WeakPolarHBondContact CB-O 3.41Å; H656-M690 PolarHBondContact N-O 3.46Å; I688-M690 HydrophobicContact CD1-SD 4.44Å; M690-I706 HydrophobicContact CE-CG2 3.65Å; M690-T707 CarbonylContact C-O 3.45Å; M690-T707 VanDerWaalsContact CA-O 3.32Å; M690-T707 WeakPolarHBondContact CA-O 3.39Å; M690-C708 HydrophobicContact CE-CB 4.33Å; M690-C708 HydrophobicContact CG-CB 4.07Å
691	I	97.2	Very high	89.2	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126.3	177.9	-54.2	179.1	0	0	0	108.9	W654 H656 H658 P663 P665 I706 T707 L709	W654-I691 HydrophobicContact CH2-CG1 4.25Å; W654-I691 HydrophobicContact CZ3-CG1 4.2Å; H656-I691 WeakPolarHBondContact O-CA 3.48Å; H658-I691 HydrophobicContact CB-CG2 4.11Å; P663-I691 HydrophobicContact CB-CB 4.14Å; P663-I691 HydrophobicContact CB-CG2 3.83Å; P665-I691 HydrophobicContact CB-CD1 3.97Å; I691-I706 WeakPolarHBondContact O-CA 3.25Å; I691-T707 PolarHBondContact N-O 3.15Å; I691-T707 PolarHBondContact O-N 3.24Å; I691-L709 HydrophobicContact CD1-CD2 3.78Å; I691-L709 HydrophobicContact CG1-CD2 4.06Å
692	V	97.1	Very high	89.2	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	126	-178.1	-176.8	0	0	0	0	110.5	M587 A591 H656 S657 H658 I706	M587-V692 HydrophobicContact CB-CG2 4.18Å; A591-V692 HydrophobicContact CB-CB 4Å; A591-V692 HydrophobicContact CB-CG1 3.57Å; H656-V692 PolarHBondContact O-N 3.33Å; S657-V692 CarbonylContact C-O 3.57Å; S657-V692 VanDerWaalsContact CA-O 3.24Å; S657-V692 WeakPolarHBondContact CA-O 3.45Å; H658-V692 PolarHBondContact N-O 3.02Å; V692-I706 HydrophobicContact CG1-CG1 4.28Å; V692-I706 HydrophobicContact CG2-CD1 4.46Å; V692-I706 HydrophobicContact CG2-CG1 4.25Å; V692-I706 HydrophobicContact CG2-CG2 4.44Å
693	S	96.1	Very high	89.6	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	100.8	-178.9	-178.6	0	0	0	0	111.1	H658 F661 N696 S704 Q705	H658-S693 WeakPolarHBondContact O-CA 3.39Å; H658-S693 PolarHBondContact O-OG 3.33Å; F661-S693 WeakPolarHBondContact O-CB 3.2Å; F661-S693 PolarHBondContact O-OG 2.58Å; S693-N696 WeakPolarHBondContact OG-CB 3.24Å; S693-S704 WeakPolarHBondContact O-CA 3.47Å; S693-Q705 PolarHBondContact N-O 3.29Å; S693-Q705 PolarHBondContact O-N 2.85Å
694	P	94.4	Very high	90.6	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.013	19%	0.19	C	C	.	.	S	Bend	trans	-80.2	-51.5	-179.6	28	-31.5	0	0	0	113.3	A591 S704 K776	A591-P694 HydrophobicContact CB-CG 4.19Å; P694-S704 WeakPolarHBondContact CA-OG 3.31Å; P694-K776 WeakPolarHBondContact O-CE 3.5Å; P694-K776 PolarHBondContact O-NZ 2.8Å
695	Y	92.3	Very high	91.4	Very high	24 Å²	24	37.1 Å²	37.1	9%	0.094	19%	0.188	C	C	.	.	S	Bend	trans	-110	24.6	-167.3	-47.9	-75.2	0	0	0	114.5	H592 M595 P659 R697 V759 F765 C773 K776	H592-Y695 AromaticContact CD2-CE1 4Å; H592-Y695 AromaticContact CD2-CZ 3.64Å; H592-Y695 PolarHBondContact CD2-OH 3.24Å; H592-Y695 VanDerWaalsContact CD2-OH 3.27Å; H592-Y695 PolarHBondContact O-OH 3.44Å; H592-Y695 VanDerWaalsContact O-OH 3.08Å; M595-Y695 HydrophobicContact SD-CD2 4.37Å; P659-Y695 CarbonylContact O-C 3.58Å; P659-Y695 VanDerWaalsContact O-CA 3.3Å; P659-Y695 WeakPolarHBondContact O-CA 3.32Å; P659-Y695 VanDerWaalsContact O-CB 3.22Å; P659-Y695 WeakPolarHBondContact O-CB 3.21Å; P659-Y695 PolarHBondContact O-N 3.46Å; Y695-R697 PolarHBondContact O-N 3.24Å; Y695-V759 HydrophobicContact CE2-CG1 4.45Å; Y695-V759 HydrophobicContact CE2-CG2 4.11Å; Y695-F765 HydrophobicContact CD1-CB 4.16Å; Y695-F765 HydrophobicContact CD1-CD2 4.25Å; Y695-F765 HydrophobicContact CE1-CB 4.22Å; Y695-C773 HydrophobicContact CE1-CB 4.26Å; Y695-K776 HydrophobicContact CD1-CD 3.9Å; Y695-K776 HydrophobicContact CE1-CD 3.69Å
696	N	90.1	Very high	92.1	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.027	19%	0.189	C	C	.	.			trans	-58.4	122.7	172.7	174.5	18.4	0	0	0	111.8	D662 S693 N698 N699 Q705	D662-N696 PolarHBondContact OD1-ND2 2.89Å; S693-N696 WeakPolarHBondContact OG-CB 3.24Å; N696-N698 PolarHBondContact O-N 2.82Å; N696-N698 WeakPolarHBondContact OD1-CB 2.97Å; N696-N698 PolarHBondContact OD1-N 3.14Å; N696-N699 HydrophobicContact CB-CB 4.46Å; N696-N699 WeakPolarHBondContact O-CB 3.31Å; N696-N699 PolarHBondContact O-N 3.35Å; N696-Q705 PolarHBondContact ND2-OE1 3.45Å
697	R	85.8	Confident	92.4	Very high	152 Å²	152	35.1 Å²	35.1	57%	0.574	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-25.7	178.7	-64.9	-175.8	178.1	-137.1	-3.7	113.4	D39 Y695 N699	D39-R697 IonicContact OD2-CZ 3.5Å; D39-R697 IonicContact OD2-NH1 2.9Å; D39-R697 PolarHBondContact OD2-NH1 3.11Å; D39-R697 IonicContact OD2-NH2 3.99Å; D39-R697 PolarHBondContact OD2-NH2 3.22Å; Y695-R697 PolarHBondContact O-N 3.24Å; R697-N699 PolarHBondContact O-N 3.38Å
698	N	86.4	Confident	92.5	Very high	116 Å²	116	34.7 Å²	34.7	62%	0.62	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-11.1	179.3	-59.3	-23.8	0	0	0	112.4	D662 N696 P700	D662-N698 PolarHBondContact OD2-ND2 3.31Å; N696-N698 PolarHBondContact O-N 2.82Å; N696-N698 WeakPolarHBondContact OD1-CB 2.97Å; N696-N698 PolarHBondContact OD1-N 3.14Å; N698-P700 WeakPolarHBondContact O-CD 3.42Å
699	N	86.8	Confident	92.5	Very high	8 Å²	8	34.7 Å²	34.7	4%	0.043	17%	0.174	C	C	.	.			trans	-88.7	112.9	176.7	-175.2	24.2	0	0	0	110.7	N696 R697 L701 Y703 Q705 R766	N696-N699 HydrophobicContact CB-CB 4.46Å; N696-N699 WeakPolarHBondContact O-CB 3.31Å; N696-N699 PolarHBondContact O-N 3.35Å; R697-N699 PolarHBondContact O-N 3.38Å; N699-L701 VanDerWaalsContact C-N 3.33Å; N699-L701 PolarHBondContact ND2-O 3.44Å; N699-L701 PolarHBondContact OD1-N 3.39Å; N699-Y703 PolarHBondContact ND2-O 3.17Å; N699-Q705 HydrophobicContact CB-CG 4.19Å; N699-Q705 PolarHBondContact OD1-NE2 2.91Å; N699-R766 PolarHBondContact O-NH1 2.94Å
700	P	83.6	Confident	92.4	Very high	100 Å²	100	35.5 Å²	35.5	65%	0.649	18%	0.179	S	C	*	.			trans	-70.5	-31.6	177.2	27.7	-33.4	0	0	0	112.1	N698 R766	N698-P700 WeakPolarHBondContact O-CD 3.42Å; P700-R766 PolarHBondContact O-NH1 2.99Å; P700-R766 VanDerWaalsContact O-NH1 3.16Å; P700-R766 PolarHBondContact O-NH2 3.05Å; P700-R766 VanDerWaalsContact O-NH2 3.1Å
701	L	87.8	Confident	92.3	Very high	92 Å²	92	35.7 Å²	35.7	48%	0.482	18%	0.18	S	C	.	.	S	Bend	trans	-72.9	153.4	-174.8	-58.1	177.5	0	0	0	112.2	N699 Y703	N699-L701 VanDerWaalsContact C-N 3.33Å; N699-L701 PolarHBondContact ND2-O 3.44Å; N699-L701 PolarHBondContact OD1-N 3.39Å; L701-Y703 HydrophobicContact CB-CD2 3.96Å; L701-Y703 HydrophobicContact CD1-CD2 4.23Å; L701-Y703 PolarHBondContact O-N 3.33Å
702	P	86.8	Confident	91.9	Very high	33 Å²	33	36.9 Å²	36.9	21%	0.214	19%	0.189	C	C	.	.	S	Bend	trans	-71.4	-20.4	172.6	30	-35.4	0	0	0	112.7	L771 K776 E779 C780	P702-L771 HydrophobicContact CB-CD1 4.1Å; P702-K776 WeakPolarHBondContact O-CE 3.39Å; P702-K776 WeakPolarHBondContact O-CG 3.4Å; P702-K776 PolarHBondContact O-NZ 3.07Å; P702-E779 HydrophobicContact CG-CG 4.47Å; P702-C780 PolarHBondContact O-SG 2.87Å
703	Y	92.1	Very high	91.3	Very high	67 Å²	67	45 Å²	45	26%	0.263	23%	0.226	S	C	.	.	S	Bend	trans	-76.9	137.4	-175.7	-43	-63.3	0	0	0	112.4	N699 L701 E779 C780 K783	N699-Y703 PolarHBondContact ND2-O 3.17Å; L701-Y703 HydrophobicContact CB-CD2 3.96Å; L701-Y703 HydrophobicContact CD1-CD2 4.23Å; L701-Y703 PolarHBondContact O-N 3.33Å; Y703-E779 HydrophobicContact CD1-CG 4.37Å; Y703-E779 HydrophobicContact CE1-CG 3.87Å; Y703-C780 VanDerWaalsContact CA-SG 3.57Å; Y703-K783 HydrophobicContact CD1-CB 3.97Å; Y703-K783 HydrophobicContact CD1-CD 3.27Å; Y703-K783 HydrophobicContact CD1-CG 4.26Å; Y703-K783 HydrophobicContact CD2-CD 3.81Å; Y703-K783 HydrophobicContact CE1-CB 3.88Å; Y703-K783 HydrophobicContact CE1-CD 3.51Å; Y703-K783 HydrophobicContact CE1-CG 4.25Å; Y703-K783 HydrophobicContact CE2-CD 4.03Å; Y703-K783 HydrophobicContact CG-CD 3.42Å; Y703-K783 VanDerWaalsContact CG-CD 3.42Å
704	S	94.3	Very high	90.9	Very high	20 Å²	20	49.2 Å²	49.2	14%	0.14	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-55.9	145.8	170.8	-59.7	0	0	0	0	112.5	D588 H592 S693 P694 K776 C780	D588-S704 WeakPolarHBondContact OD1-CB 3.26Å; D588-S704 PolarHBondContact OD1-OG 2.83Å; H592-S704 PolarHBondContact CE1-OG 3.09Å; S693-S704 WeakPolarHBondContact O-CA 3.47Å; P694-S704 WeakPolarHBondContact CA-OG 3.31Å; S704-K776 PolarHBondContact OG-NZ 3.5Å; S704-C780 PolarHBondContact N-SG 3.35Å
705	Q	94.6	Very high	90.5	Very high	54 Å²	54	54 Å²	54	25%	0.252	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	130.6	173.2	-62.5	175.8	-31.5	0	0	109.5	P663 S693 N696 N699	P663-Q705 HydrophobicContact CG-CB 3.73Å; S693-Q705 PolarHBondContact N-O 3.29Å; S693-Q705 PolarHBondContact O-N 2.85Å; N696-Q705 PolarHBondContact ND2-OE1 3.45Å; N699-Q705 HydrophobicContact CB-CG 4.19Å; N699-Q705 PolarHBondContact OD1-NE2 2.91Å
706	I	95.5	Very high	90.3	Very high	52 Å²	52	53.2 Å²	53.2	27%	0.267	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	137.5	177.4	-55.2	-178.3	0	0	0	109.3	L584 M690 I691 V692 K726	L584-I706 HydrophobicContact CD2-CD1 4Å; M690-I706 HydrophobicContact CE-CG2 3.65Å; I691-I706 WeakPolarHBondContact O-CA 3.25Å; V692-I706 HydrophobicContact CG1-CG1 4.28Å; V692-I706 HydrophobicContact CG2-CD1 4.46Å; V692-I706 HydrophobicContact CG2-CG1 4.25Å; V692-I706 HydrophobicContact CG2-CG2 4.44Å; I706-K726 PolarHBondContact O-NZ 3.46Å
707	T	95.9	Very high	89.9	Confident	3 Å²	3	58.6 Å²	58.6	2%	0.018	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	117	172.5	-69.6	0	0	0	0	109	P663 M690 I691 L709 K726	P663-T707 WeakPolarHBondContact O-CB 3.28Å; P663-T707 PolarHBondContact O-OG1 3.42Å; M690-T707 CarbonylContact C-O 3.45Å; M690-T707 VanDerWaalsContact CA-O 3.32Å; M690-T707 WeakPolarHBondContact CA-O 3.39Å; I691-T707 PolarHBondContact N-O 3.15Å; I691-T707 PolarHBondContact O-N 3.24Å; T707-L709 HydrophobicContact CG2-CB 4.32Å; T707-L709 HydrophobicContact CG2-CD2 4.35Å; T707-K726 HydrophobicContact CG2-CB 4.43Å; T707-K726 HydrophobicContact CG2-CD 3.91Å; T707-K726 HydrophobicContact CG2-CG 4.14Å; T707-K726 PolarHBondContact OG1-NZ 3.49Å
708	C	96.8	Very high	89.7	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	132.8	164.4	-176.1	0	0	0	0	109	G689 M690 K726 F727 V729	G689-C708 CarbonylContact O-C 3.51Å; G689-C708 WeakPolarHBondContact O-CA 3.27Å; M690-C708 HydrophobicContact CE-CB 4.33Å; M690-C708 HydrophobicContact CG-CB 4.07Å; C708-K726 WeakPolarHBondContact O-CA 3.33Å; C708-F727 HydrophobicContact CB-CB 4.45Å; C708-F727 PolarHBondContact O-N 3.46Å; C708-V729 HydrophobicContact CB-CG2 3.33Å
709	L	95.3	Very high	89.4	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	153.1	-170.9	71	95.1	0	0	0	114.8	P665 Q673 G689 I691 T707 I711 Y725	P665-L709 HydrophobicContact CB-CD2 3.97Å; P665-L709 HydrophobicContact CG-CD2 4.03Å; Q673-L709 HydrophobicContact CG-CD1 4.02Å; G689-L709 PolarHBondContact N-O 2.82Å; G689-L709 VanDerWaalsContact N-O 3.08Å; G689-L709 PolarHBondContact O-N 2.97Å; I691-L709 HydrophobicContact CD1-CD2 3.78Å; I691-L709 HydrophobicContact CG1-CD2 4.06Å; T707-L709 HydrophobicContact CG2-CB 4.32Å; T707-L709 HydrophobicContact CG2-CD2 4.35Å; L709-I711 HydrophobicContact CD1-CD1 3.86Å; L709-I711 HydrophobicContact CD1-CG1 4.44Å; L709-Y725 CarbonylContact C-O 3.52Å; L709-Y725 WeakPolarHBondContact CA-O 3.43Å
710	V	94.9	Very high	89.1	Confident	17 Å²	17	53.9 Å²	53.9	10%	0.103	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	142.9	168.9	63.2	0	0	0	0	109.2	F567 Y725 F727	F567-V710 HydrophobicContact CZ-CG1 3.81Å; V710-Y725 PolarHBondContact N-O 3.03Å; V710-Y725 PolarHBondContact O-N 3.05Å; V710-F727 HydrophobicContact CB-CE2 3.62Å; V710-F727 HydrophobicContact CB-CZ 3.86Å; V710-F727 HydrophobicContact CG1-CD2 4.46Å; V710-F727 HydrophobicContact CG1-CE1 4.42Å; V710-F727 HydrophobicContact CG1-CE2 3.55Å; V710-F727 HydrophobicContact CG1-CZ 3.52Å
711	I	93.9	Very high	89.3	Confident	5 Å²	5	52 Å²	52	3%	0.026	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	127.8	176.5	-54.3	-53	0	0	0	109.6	I670 Q673 A674 Q677 L709 R722 P724	I670-I711 HydrophobicContact CB-CD1 4.15Å; I670-I711 HydrophobicContact CG1-CD1 3.85Å; I670-I711 HydrophobicContact CG2-CD1 4.13Å; I670-I711 HydrophobicContact CG2-CG1 4.47Å; I670-I711 HydrophobicContact CG2-CG2 4.11Å; Q673-I711 HydrophobicContact CB-CG1 3.85Å; Q673-I711 HydrophobicContact CG-CD1 4.5Å; Q673-I711 HydrophobicContact CG-CG1 3.63Å; A674-I711 HydrophobicContact CB-CB 4.46Å; A674-I711 HydrophobicContact CB-CG2 4.14Å; Q677-I711 PolarHBondContact NE2-O 3.35Å; L709-I711 HydrophobicContact CD1-CD1 3.86Å; L709-I711 HydrophobicContact CD1-CG1 4.44Å; I711-R722 HydrophobicContact CG2-CB 3.33Å; I711-R722 HydrophobicContact CG2-CG 4.28Å; I711-P724 HydrophobicContact CD1-CB 3.65Å
712	S	89.9	Confident	89.4	Confident	25 Å²	25	52.5 Å²	52.5	18%	0.175	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	168.6	177.3	-157.5	0	0	0	0	112.1	K571 E714 R722 L723	K571-S712 PolarHBondContact NZ-OG 3.08Å; K571-S712 VanDerWaalsContact NZ-OG 3.15Å; S712-E714 VanDerWaalsContact C-N 3.3Å; S712-R722 WeakPolarHBondContact O-CD 3.49Å; S712-L723 WeakPolarHBondContact CB-O 3.37Å; S712-L723 PolarHBondContact N-O 3Å
713	E	84.4	Confident	89.7	Confident	170 Å²	170	52.4 Å²	52.4	79%	0.794	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	-18.3	166.6	-59.5	-157.6	144	0	0	112.2
714	E	86.5	Confident	89.8	Confident	89 Å²	89	49.2 Å²	49.2	42%	0.416	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	140.1	171.6	-74.4	156.6	-145	0	0	112.1	K571 S712 R722 L723 Y725	K571-E714 IonicContact NZ-OE1 2.81Å; K571-E714 PolarHBondContact NZ-OE1 2.69Å; K571-E714 IonicContact NZ-OE2 2.76Å; K571-E714 PolarHBondContact NZ-OE2 2.93Å; S712-E714 VanDerWaalsContact C-N 3.3Å; E714-R722 CarbonylContact O-C 3.54Å; E714-R722 VanDerWaalsContact O-CA 3.3Å; E714-R722 WeakPolarHBondContact O-CA 3.23Å; E714-L723 HydrophobicContact CB-CD1 4Å; E714-L723 HydrophobicContact CB-CG 4.37Å; E714-L723 PolarHBondContact O-N 2.92Å; E714-Y725 PolarHBondContact OE2-OH 3.45Å
715	I	87.9	Confident	89.8	Confident	101 Å²	101	49.3 Å²	49.3	52%	0.518	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	148.5	179.5	-44.2	-179.5	0	0	0	107.9	Y721	I715-Y721 CarbonylContact C-O 3.57Å; I715-Y721 WeakPolarHBondContact CA-O 3.27Å; I715-Y721 WeakPolarHBondContact CG2-O 3.31Å
716	S	87.8	Confident	89.8	Confident	9 Å²	9	49.4 Å²	49.4	6%	0.063	27%	0.272	C	S	.	.			trans	-52.6	156.5	172.1	64.8	0	0	0	0	112.4	D718 G719 S720 Y721	S716-D718 WeakPolarHBondContact CB-OD1 3.34Å; S716-D718 PolarHBondContact O-N 2.78Å; S716-D718 VanDerWaalsContact O-N 3.09Å; S716-D718 PolarHBondContact OG-OD1 3Å; S716-G719 WeakPolarHBondContact O-CA 3.38Å; S716-G719 PolarHBondContact O-N 3.06Å; S716-S720 PolarHBondContact OG-N 3.39Å; S716-S720 VanDerWaalsContact OG-N 3.11Å; S716-S720 PolarHBondContact OG-OG 3.42Å; S716-Y721 PolarHBondContact N-O 2.89Å; S716-Y721 PolarHBondContact OG-N 3.49Å; S716-Y721 PolarHBondContact OG-O 2.74Å
717	A	81.1	Confident	89.7	Confident	118 Å²	118	47.1 Å²	47.1	98%	0.975	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.5	-174.9	0	0	0	0	0	114.4
718	D	80.7	Confident	89.5	Confident	93 Å²	93	54.5 Å²	54.5	50%	0.497	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-2.4	173.6	68.1	-42.3	0	0	0	113.6	F556 S716 S720	F556-D718 VanDerWaalsContact CZ-OD2 3.32Å; F556-D718 WeakPolarHBondContact CZ-OD2 3.35Å; S716-D718 WeakPolarHBondContact CB-OD1 3.34Å; S716-D718 PolarHBondContact O-N 2.78Å; S716-D718 VanDerWaalsContact O-N 3.09Å; S716-D718 PolarHBondContact OG-OD1 3Å; D718-S720 PolarHBondContact OD1-OG 3.28Å; D718-S720 VanDerWaalsContact OD1-OG 3.1Å; D718-S720 WeakPolarHBondContact OD2-CB 3.01Å; D718-S720 PolarHBondContact OD2-OG 3.15Å
719	G	80.2	Confident	89.3	Confident	48 Å²	48	57 Å²	57	50%	0.495	31%	0.31	S	S	.	.	S	Bend	trans	77	15.9	175.8	0	0	0	0	0	115.3	S716	S716-G719 WeakPolarHBondContact O-CA 3.38Å; S716-G719 PolarHBondContact O-N 3.06Å
720	S	81.6	Confident	89.2	Confident	36 Å²	36	61.2 Å²	61.2	25%	0.252	33%	0.33	S	S	.	.	S	Bend	trans	-96	-30	-167.4	63.4	0	0	0	0	115.1	S716 D718	S716-S720 PolarHBondContact OG-N 3.39Å; S716-S720 VanDerWaalsContact OG-N 3.11Å; S716-S720 PolarHBondContact OG-OG 3.42Å; D718-S720 PolarHBondContact OD1-OG 3.28Å; D718-S720 VanDerWaalsContact OD1-OG 3.1Å; D718-S720 WeakPolarHBondContact OD2-CB 3.01Å; D718-S720 PolarHBondContact OD2-OG 3.15Å
721	Y	86.6	Confident	89.2	Confident	60 Å²	60	62 Å²	62	24%	0.235	33%	0.332	C	S	.	.	S	Bend	trans	-146.3	161.8	178.5	61.2	-92.3	0	0	0	112.8	I562 L667 I670 I715 S716 L723	I562-Y721 HydrophobicContact CD1-CE1 4.14Å; I562-Y721 HydrophobicContact CD1-CE2 4.5Å; I562-Y721 HydrophobicContact CG1-CE2 4.47Å; I562-Y721 HydrophobicContact CG2-CD2 4.21Å; I562-Y721 HydrophobicContact CG2-CE2 3.54Å; L667-Y721 VanDerWaalsContact CD2-CB 3.46Å; L667-Y721 HydrophobicContact CD2-CD1 3.67Å; L667-Y721 HydrophobicContact CD2-CD2 4.34Å; L667-Y721 HydrophobicContact CD2-CG 3.58Å; I670-Y721 HydrophobicContact CD1-CD2 4.26Å; I715-Y721 CarbonylContact C-O 3.57Å; I715-Y721 WeakPolarHBondContact CA-O 3.27Å; I715-Y721 WeakPolarHBondContact CG2-O 3.31Å; S716-Y721 PolarHBondContact N-O 2.89Å; S716-Y721 PolarHBondContact OG-N 3.49Å; S716-Y721 PolarHBondContact OG-O 2.74Å; Y721-L723 HydrophobicContact CE2-CD2 4.04Å
722	R	91.3	Very high	89.1	Confident	102 Å²	102	62.5 Å²	62.5	39%	0.385	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	141.1	174.6	-69.4	-180	178.4	-149.8	-1.2	111.1	I670 I711 S712 E714 P724	I670-R722 HydrophobicContact CG2-CB 4.17Å; I670-R722 VanDerWaalsContact CG2-O 3.27Å; I670-R722 WeakPolarHBondContact CG2-O 3.48Å; I711-R722 HydrophobicContact CG2-CB 3.33Å; I711-R722 HydrophobicContact CG2-CG 4.28Å; S712-R722 WeakPolarHBondContact O-CD 3.49Å; E714-R722 CarbonylContact O-C 3.54Å; E714-R722 VanDerWaalsContact O-CA 3.3Å; E714-R722 WeakPolarHBondContact O-CA 3.23Å; R722-P724 WeakPolarHBondContact O-CD 3.21Å
723	L	91.7	Very high	89.1	Confident	31 Å²	31	67.5 Å²	67.5	16%	0.162	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	121.4	-174.7	-62.2	-178.9	0	0	0	111.9	S712 E714 Y721 Y725	S712-L723 WeakPolarHBondContact CB-O 3.37Å; S712-L723 PolarHBondContact N-O 3Å; E714-L723 HydrophobicContact CB-CD1 4Å; E714-L723 HydrophobicContact CB-CG 4.37Å; E714-L723 PolarHBondContact O-N 2.92Å; Y721-L723 HydrophobicContact CE2-CD2 4.04Å; L723-Y725 HydrophobicContact CB-CD2 4.45Å; L723-Y725 HydrophobicContact CB-CE2 3.91Å
724	P	94.6	Very high	89.2	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.006	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	138.5	169.9	31.3	-32.3	0	0	0	111	I562 N565 P665 I670 I711 R722	I562-P724 HydrophobicContact CG2-CG 3.91Å; N565-P724 PolarHBondContact N-O 3.07Å; P665-P724 HydrophobicContact CG-CB 3.78Å; P665-P724 HydrophobicContact CG-CG 4.01Å; I670-P724 HydrophobicContact CD1-CG 3.98Å; I670-P724 HydrophobicContact CG1-CB 4.35Å; I670-P724 HydrophobicContact CG1-CG 4.35Å; I711-P724 HydrophobicContact CD1-CB 3.65Å; R722-P724 WeakPolarHBondContact O-CD 3.21Å
725	Y	94.3	Very high	89.3	Confident	21 Å²	21	65 Å²	65	8%	0.082	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	137.5	174.2	-81.8	-100.5	0	0	0	110.5	N565 F566 F567 K571 L709 V710 E714 L723	N565-Y725 HydrophobicContact CB-CD1 3.77Å; N565-Y725 HydrophobicContact CB-CD2 4.23Å; N565-Y725 HydrophobicContact CB-CE1 3.52Å; N565-Y725 HydrophobicContact CB-CE2 4.01Å; N565-Y725 HydrophobicContact CB-CG 4.11Å; N565-Y725 PolarHBondContact ND2-OH 2.92Å; N565-Y725 CarbonylContact O-C 3.51Å; N565-Y725 VanDerWaalsContact O-CA 3.32Å; N565-Y725 WeakPolarHBondContact O-CA 3.25Å; F566-Y725 WeakPolarHBondContact O-CE1 3.49Å; F567-Y725 AromaticContact CD1-CD1 3.88Å; F567-Y725 HydrophobicContact CD1-CD1 3.88Å; F567-Y725 AromaticContact CE1-CD1 3.84Å; F567-Y725 HydrophobicContact CE1-CD1 3.84Å; F567-Y725 HydrophobicContact CE1-CG 4.09Å; F567-Y725 HydrophobicContact CG-CD1 4.34Å; F567-Y725 HydrophobicContact CZ-CD1 4.28Å; F567-Y725 HydrophobicContact CZ-CG 4.23Å; K571-Y725 HydrophobicContact CD-CE1 3.79Å; K571-Y725 VanDerWaalsContact CE-CZ 3.43Å; K571-Y725 PolarHBondContact NZ-OH 3.37Å; L709-Y725 CarbonylContact C-O 3.52Å; L709-Y725 WeakPolarHBondContact CA-O 3.43Å; V710-Y725 PolarHBondContact N-O 3.03Å; V710-Y725 PolarHBondContact O-N 3.05Å; E714-Y725 PolarHBondContact OE2-OH 3.45Å; L723-Y725 HydrophobicContact CB-CD2 4.45Å; L723-Y725 HydrophobicContact CB-CE2 3.91Å
726	K	94.9	Very high	89.4	Confident	56 Å²	56	60.5 Å²	60.5	24%	0.243	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	129.5	177.6	174.8	167.2	-173.7	152.7	0	110.8	C564 N565 F566 F567 I706 T707 C708	C564-K726 HydrophobicContact CB-CB 3.63Å; N565-K726 PolarHBondContact O-N 3.33Å; F566-K726 HydrophobicContact CE1-CD 4.23Å; F567-K726 VanDerWaalsContact CD2-O 3.25Å; F567-K726 WeakPolarHBondContact CD2-O 3.37Å; F567-K726 WeakPolarHBondContact CE2-O 3.29Å; I706-K726 PolarHBondContact O-NZ 3.46Å; T707-K726 HydrophobicContact CG2-CB 4.43Å; T707-K726 HydrophobicContact CG2-CD 3.91Å; T707-K726 HydrophobicContact CG2-CG 4.14Å; T707-K726 PolarHBondContact OG1-NZ 3.49Å; C708-K726 WeakPolarHBondContact O-CA 3.33Å
727	F	93.8	Very high	89.5	Confident	5 Å²	5	65.3 Å²	65.3	2%	0.022	35%	0.346	C	S	.	.			trans	-81	153.3	172.6	-67.7	-82.5	0	0	0	112.5	F567 E573 P574 F575 V577 I688 C708 V710 V729	F567-F727 HydrophobicContact CD2-CD1 4.45Å; F567-F727 AromaticContact CE2-CD1 3.66Å; F567-F727 HydrophobicContact CE2-CD1 3.66Å; F567-F727 AromaticContact CE2-CE1 3.9Å; F567-F727 HydrophobicContact CE2-CE1 3.9Å; F567-F727 HydrophobicContact CE2-CG 4.04Å; F567-F727 HydrophobicContact CE2-CZ 4.48Å; F567-F727 HydrophobicContact CZ-CD1 4.29Å; F567-F727 HydrophobicContact CZ-CE1 4.05Å; F567-F727 HydrophobicContact CZ-CZ 4.41Å; E573-F727 HydrophobicContact CB-CD1 4.47Å; E573-F727 HydrophobicContact CB-CE1 4.49Å; E573-F727 HydrophobicContact CG-CD1 4.47Å; E573-F727 WeakPolarHBondContact OE1-CA 3.3Å; P574-F727 HydrophobicContact CG-CE1 4.06Å; P574-F727 HydrophobicContact CG-CZ 4.15Å; F575-F727 HydrophobicContact CD2-CE1 4.07Å; F575-F727 HydrophobicContact CD2-CZ 4.03Å; F575-F727 HydrophobicContact CE1-CZ 4.22Å; F575-F727 AromaticContact CE2-CE1 3.88Å; F575-F727 HydrophobicContact CE2-CE1 3.88Å; F575-F727 HydrophobicContact CE2-CE2 4.04Å; F575-F727 AromaticContact CE2-CZ 3.37Å; F575-F727 HydrophobicContact CE2-CZ 3.37Å; F575-F727 HydrophobicContact CZ-CE1 4.3Å; F575-F727 HydrophobicContact CZ-CE2 4.2Å; F575-F727 AromaticContact CZ-CZ 3.49Å; F575-F727 HydrophobicContact CZ-CZ 3.49Å; F575-F727 VanDerWaalsContact CZ-CZ 3.49Å; F575-F727 VanDerWaalsContact O-CE1 3.24Å; F575-F727 WeakPolarHBondContact O-CE1 3.35Å; V577-F727 HydrophobicContact CG2-CB 4.24Å; V577-F727 HydrophobicContact CG2-CD1 3.81Å; V577-F727 HydrophobicContact CG2-CD2 3.88Å; V577-F727 HydrophobicContact CG2-CE1 4.04Å; V577-F727 HydrophobicContact CG2-CE2 4.06Å; V577-F727 HydrophobicContact CG2-CG 3.73Å; V577-F727 HydrophobicContact CG2-CZ 4.15Å; I688-F727 HydrophobicContact CG2-CE2 3.97Å; C708-F727 HydrophobicContact CB-CB 4.45Å; C708-F727 PolarHBondContact O-N 3.46Å; V710-F727 HydrophobicContact CB-CE2 3.62Å; V710-F727 HydrophobicContact CB-CZ 3.86Å; V710-F727 HydrophobicContact CG1-CD2 4.46Å; V710-F727 HydrophobicContact CG1-CE1 4.42Å; V710-F727 HydrophobicContact CG1-CE2 3.55Å; V710-F727 HydrophobicContact CG1-CZ 3.52Å; F727-V729 PolarHBondContact O-N 3.09Å
728	E	91.9	Very high	90	Very high	157 Å²	157	62.5 Å²	62.5	73%	0.734	31%	0.31	S	S	*	.			trans	-82.5	102.1	160.1	-172.4	166.3	-164.3	0	0	110.4	E573 Q730	E573-E728 PolarHBondContact OE1-N 2.8Å; E728-Q730 PolarHBondContact O-N 2.86Å
729	V	92	Very high	90.5	Very high	53 Å²	53	60.5 Å²	60.5	32%	0.321	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-74.7	119.2	-176.4	176.5	0	0	0	0	111.3	V579 C708 F727	V579-V729 HydrophobicContact CB-CG1 4.06Å; V579-V729 HydrophobicContact CG2-CG1 3.5Å; C708-V729 HydrophobicContact CB-CG2 3.33Å; F727-V729 PolarHBondContact O-N 3.09Å
730	Q	93.6	Very high	91.1	Very high	89 Å²	89	60.1 Å²	60.1	42%	0.416	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	136.2	170.8	-62.5	-169	-5.9	0	0	110.8	V577 K578 V579 E728	V577-Q730 PolarHBondContact O-N 3.25Å; K578-Q730 CarbonylContact C-O 3.45Å; K578-Q730 VanDerWaalsContact CA-O 3.28Å; K578-Q730 WeakPolarHBondContact CA-O 3.25Å; K578-Q730 HydrophobicContact CG-CB 4.31Å; V579-Q730 PolarHBondContact N-O 3.11Å; E728-Q730 PolarHBondContact O-N 2.86Å
731	Q	94	Very high	91.7	Very high	34 Å²	34	58.5 Å²	58.5	16%	0.159	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	131.8	175.1	-174.6	178.4	-2.3	0	0	110	V579 S581 L584 T784	V579-Q731 WeakPolarHBondContact O-CA 3.19Å; S581-Q731 PolarHBondContact OG-NE2 2.56Å; L584-Q731 HydrophobicContact CD1-CG 3.91Å; Q731-T784 PolarHBondContact NE2-O 3.35Å
732	M	93.1	Very high	92	Very high	15 Å²	15	56.6 Å²	56.6	7%	0.074	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-74	146	173.8	-59.7	169.1	69.5	0	0	110.5	K578 V579 A580 E614 E734	K578-M732 HydrophobicContact CB-CG 3.8Å; K578-M732 HydrophobicContact CB-SD 4.27Å; V579-M732 PolarHBondContact O-N 3.07Å; A580-M732 HydrophobicContact CB-SD 4.04Å; E614-M732 HydrophobicContact CB-SD 4.45Å; M732-E734 VanDerWaalsContact C-N 3.28Å; M732-E734 HydrophobicContact CE-CG 4.4Å; M732-E734 WeakPolarHBondContact CE-OE2 3.27Å; M732-E734 PolarHBondContact O-N 3.36Å
733	L	88.4	Confident	92.1	Very high	130 Å²	130	57.6 Å²	57.6	68%	0.681	29%	0.288	S	S	*	.			trans	-90.9	17.3	179.6	-54.7	180	0	0	0	113.2	V788	L733-V788 HydrophobicContact CD2-CG2 4.32Å
734	E	87.4	Confident	92.2	Very high	104 Å²	104	58.1 Å²	58.1	49%	0.486	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-82	130.5	175.1	-65.6	177.3	176.8	0	0	110	M732 V788	M732-E734 VanDerWaalsContact C-N 3.28Å; M732-E734 HydrophobicContact CE-CG 4.4Å; M732-E734 WeakPolarHBondContact CE-OE2 3.27Å; M732-E734 PolarHBondContact O-N 3.36Å; E734-V788 VanDerWaalsContact O-CG1 3.22Å; E734-V788 WeakPolarHBondContact O-CG1 3.34Å
735	E	87.6	Confident	92.2	Very high	101 Å²	101	58.1 Å²	58.1	47%	0.472	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-63.7	139.6	176	-70	-163.2	140.8	0	0	111.3	V788	E735-V788 HydrophobicContact CG-CG1 4.38Å
736	P	90.6	Very high	92.1	Very high	7 Å²	7	63 Å²	63	5%	0.045	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-68.9	153.5	-179.7	30.1	-35.5	0	0	0	111.8	E582 L585 W738 V741 L785	E582-P736 HydrophobicContact CB-CB 4.09Å; L585-P736 HydrophobicContact CD1-CB 4.33Å; L585-P736 HydrophobicContact CD1-CG 4.28Å; P736-W738 VanDerWaalsContact C-N 3.27Å; P736-W738 HydrophobicContact CG-CD2 4.05Å; P736-W738 HydrophobicContact CG-CE3 4Å; P736-W738 HydrophobicContact CG-CH2 3.59Å; P736-W738 HydrophobicContact CG-CZ2 3.6Å; P736-W738 HydrophobicContact CG-CZ3 3.79Å; P736-W738 PolarHBondContact O-N 3.19Å; P736-W738 PolarHBondContact O-NE1 3.17Å; P736-V741 HydrophobicContact CB-CG2 4.04Å; P736-L785 HydrophobicContact CG-CD2 4.08Å
737	Q	90.9	Very high	92	Very high	110 Å²	110	65.8 Å²	65.8	51%	0.514	32%	0.316	S	S	.	.			trans	-75.9	78.1	175.2	-60.8	-164.9	-47.5	0	0	110.6	G739 L740 V741	Q737-G739 VanDerWaalsContact C-N 3.35Å; Q737-G739 PolarHBondContact O-N 3.48Å; Q737-G739 VanDerWaalsContact O-N 3.09Å; Q737-L740 HydrophobicContact CB-CB 4.22Å; Q737-L740 WeakPolarHBondContact O-CA 3.43Å; Q737-L740 WeakPolarHBondContact O-CB 3.4Å; Q737-L740 PolarHBondContact O-N 2.8Å; Q737-V741 PolarHBondContact O-N 3.04Å
738	W	91.1	Very high	92.1	Very high	60 Å²	60	65.6 Å²	65.6	23%	0.227	32%	0.315	C	S	.	.	H	α-helix	trans	-38.7	-53.1	-169.5	-58.2	105	0	0	0	115.4	P736 L740 V741 F742 L785 T789 F797	P736-W738 VanDerWaalsContact C-N 3.27Å; P736-W738 HydrophobicContact CG-CD2 4.05Å; P736-W738 HydrophobicContact CG-CE3 4Å; P736-W738 HydrophobicContact CG-CH2 3.59Å; P736-W738 HydrophobicContact CG-CZ2 3.6Å; P736-W738 HydrophobicContact CG-CZ3 3.79Å; P736-W738 PolarHBondContact O-N 3.19Å; P736-W738 PolarHBondContact O-NE1 3.17Å; W738-L740 PolarHBondContact O-N 2.89Å; W738-V741 PolarHBondContact O-N 2.91Å; W738-F742 WeakPolarHBondContact O-CB 3.35Å; W738-F742 PolarHBondContact O-N 2.96Å; W738-L785 HydrophobicContact CH2-CD1 4.1Å; W738-L785 HydrophobicContact CH2-CD2 3.58Å; W738-L785 HydrophobicContact CH2-CG 4.45Å; W738-L785 HydrophobicContact CZ3-CD1 4.02Å; W738-L785 HydrophobicContact CZ3-CD2 3.97Å; W738-T789 HydrophobicContact CH2-CG2 3.67Å; W738-T789 HydrophobicContact CZ2-CG2 3.4Å; W738-T789 WeakPolarHBondContact CZ2-OG1 3.43Å; W738-F797 HydrophobicContact CE3-CB 4.01Å; W738-F797 HydrophobicContact CE3-CD1 4Å; W738-F797 AromaticContact CE3-CD2 3.66Å; W738-F797 HydrophobicContact CE3-CD2 3.66Å; W738-F797 HydrophobicContact CE3-CE1 4.35Å; W738-F797 HydrophobicContact CE3-CE2 4.04Å; W738-F797 AromaticContact CE3-CG 3.62Å; W738-F797 HydrophobicContact CE3-CG 3.62Å; W738-F797 HydrophobicContact CE3-CZ 4.36Å; W738-F797 HydrophobicContact CZ3-CB 3.88Å; W738-F797 AromaticContact CZ3-CD1 3.63Å; W738-F797 HydrophobicContact CZ3-CD1 3.63Å; W738-F797 HydrophobicContact CZ3-CD2 4.15Å; W738-F797 HydrophobicContact CZ3-CE1 4.12Å; W738-F797 AromaticContact CZ3-CG 3.62Å; W738-F797 HydrophobicContact CZ3-CG 3.62Å
739	G	91.6	Very high	92.1	Very high	51 Å²	51	58.4 Å²	58.4	53%	0.526	28%	0.282	S	S	.	.	H	α-helix	trans	-59.4	-42.4	179.5	0	0	0	0	0	113.2	Q737 F742 E743	Q737-G739 VanDerWaalsContact C-N 3.35Å; Q737-G739 PolarHBondContact O-N 3.48Å; Q737-G739 VanDerWaalsContact O-N 3.09Å; G739-F742 PolarHBondContact O-N 2.75Å; G739-E743 WeakPolarHBondContact O-CG 3.35Å; G739-E743 PolarHBondContact O-N 2.95Å
740	L	91.3	Very high	92.1	Very high	40 Å²	40	60 Å²	60	21%	0.209	29%	0.286	C	S	.	.	H	α-helix	trans	-69.4	-42.9	176.8	-176.7	66.2	0	0	0	111.4	Q737 W738 F742 E743 K744	Q737-L740 HydrophobicContact CB-CB 4.22Å; Q737-L740 WeakPolarHBondContact O-CA 3.43Å; Q737-L740 WeakPolarHBondContact O-CB 3.4Å; Q737-L740 PolarHBondContact O-N 2.8Å; W738-L740 PolarHBondContact O-N 2.89Å; L740-F742 PolarHBondContact O-N 2.69Å; L740-E743 PolarHBondContact O-N 3.48Å; L740-K744 HydrophobicContact CD1-CG 4.39Å; L740-K744 HydrophobicContact CG-CG 4.43Å; L740-K744 WeakPolarHBondContact O-CB 3.33Å; L740-K744 VanDerWaalsContact O-CG 3.23Å; L740-K744 WeakPolarHBondContact O-CG 3Å; L740-K744 PolarHBondContact O-N 2.83Å
741	V	94.2	Very high	91.9	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.006	28%	0.278	C	S	.	.	H	α-helix	trans	-59.5	-39.1	175.5	-172.4	0	0	0	0	110.2	E582 L585 I586 P736 Q737 W738 T745 F797	E582-V741 HydrophobicContact CB-CG2 4.23Å; E582-V741 HydrophobicContact CG-CG2 3.94Å; L585-V741 HydrophobicContact CB-CG1 4.27Å; L585-V741 HydrophobicContact CD1-CG1 4.4Å; I586-V741 HydrophobicContact CD1-CG1 3.77Å; I586-V741 HydrophobicContact CG1-CG1 4.24Å; P736-V741 HydrophobicContact CB-CG2 4.04Å; Q737-V741 PolarHBondContact O-N 3.04Å; W738-V741 PolarHBondContact O-N 2.91Å; V741-T745 WeakPolarHBondContact O-CB 3.42Å; V741-T745 PolarHBondContact O-N 3.18Å; V741-T745 PolarHBondContact O-OG1 3.03Å; V741-F797 HydrophobicContact CB-CZ 4.16Å; V741-F797 HydrophobicContact CG1-CE2 4.49Å; V741-F797 HydrophobicContact CG1-CZ 3.7Å
742	F	94.1	Very high	91.7	Very high	21 Å²	21	57.7 Å²	57.7	9%	0.092	27%	0.274	C	S	.	.	H	α-helix	trans	-70.8	-40.6	177.9	-168.3	-124.8	0	0	0	113.3	W738 G739 L740 T745 R746 F797 E800 L804	W738-F742 WeakPolarHBondContact O-CB 3.35Å; W738-F742 PolarHBondContact O-N 2.96Å; G739-F742 PolarHBondContact O-N 2.75Å; L740-F742 PolarHBondContact O-N 2.69Å; F742-T745 WeakPolarHBondContact O-CB 3.48Å; F742-T745 PolarHBondContact O-N 3.49Å; F742-R746 WeakPolarHBondContact O-CB 3.44Å; F742-R746 PolarHBondContact O-N 3.42Å; F742-F797 HydrophobicContact CB-CE2 4.25Å; F742-E800 VanDerWaalsContact CE1-CD 3.45Å; F742-E800 HydrophobicContact CE1-CG 4.26Å; F742-E800 WeakPolarHBondContact CE1-OE1 3.42Å; F742-E800 HydrophobicContact CE2-CB 4.26Å; F742-E800 HydrophobicContact CE2-CG 3.73Å; F742-E800 HydrophobicContact CZ-CG 3.51Å; F742-E800 WeakPolarHBondContact CZ-OE1 3.45Å; F742-L804 HydrophobicContact CE2-CD1 3.75Å; F742-L804 HydrophobicContact CZ-CD1 3.58Å
743	E	93	Very high	91.4	Very high	123 Å²	123	59.7 Å²	59.7	58%	0.575	28%	0.28	S	S	*	.	H	α-helix	trans	-60.9	-46.8	172.8	-77.1	-175.5	154.2	0	0	112	G739 L740 T745 R746 W747	G739-E743 WeakPolarHBondContact O-CG 3.35Å; G739-E743 PolarHBondContact O-N 2.95Å; L740-E743 PolarHBondContact O-N 3.48Å; E743-T745 VanDerWaalsContact C-N 3.31Å; E743-T745 PolarHBondContact O-N 3.21Å; E743-R746 PolarHBondContact O-N 3.38Å; E743-W747 PolarHBondContact O-N 3.08Å
744	K	93.6	Very high	91.2	Very high	42 Å²	42	59.6 Å²	59.6	18%	0.183	28%	0.28	C	S	.	.	H	α-helix	trans	-62.4	-39.6	174.2	-63	-69.2	-179.7	173.6	0	111.2	I586 E619 L740 W747 I748	I586-K744 HydrophobicContact CD1-CB 3.59Å; I586-K744 HydrophobicContact CD1-CG 4.48Å; I586-K744 HydrophobicContact CG1-CB 4.45Å; E619-K744 VanDerWaalsContact OE1-CE 3.26Å; E619-K744 WeakPolarHBondContact OE1-CE 3.49Å; E619-K744 IonicContact OE1-NZ 3.16Å; E619-K744 PolarHBondContact OE1-NZ 3.08Å; E619-K744 WeakPolarHBondContact OE2-CE 3.14Å; E619-K744 IonicContact OE2-NZ 2.75Å; E619-K744 PolarHBondContact OE2-NZ 3.28Å; L740-K744 HydrophobicContact CD1-CG 4.39Å; L740-K744 HydrophobicContact CG-CG 4.43Å; L740-K744 WeakPolarHBondContact O-CB 3.33Å; L740-K744 VanDerWaalsContact O-CG 3.23Å; L740-K744 WeakPolarHBondContact O-CG 3Å; L740-K744 PolarHBondContact O-N 2.83Å; K744-W747 PolarHBondContact O-N 2.97Å; K744-I748 VanDerWaalsContact O-CG1 3.24Å; K744-I748 WeakPolarHBondContact O-CG1 3.41Å; K744-I748 PolarHBondContact O-N 3.32Å
745	T	94.2	Very high	91.1	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.6	-48.6	176.5	-67.5	0	0	0	0	111.6	L589 V741 F742 E743 W747 I748 I749 I801	L589-T745 HydrophobicContact CD2-CG2 3.58Å; L589-T745 VanDerWaalsContact CD2-OG1 3.27Å; L589-T745 WeakPolarHBondContact CD2-OG1 3.37Å; V741-T745 WeakPolarHBondContact O-CB 3.42Å; V741-T745 PolarHBondContact O-N 3.18Å; V741-T745 PolarHBondContact O-OG1 3.03Å; F742-T745 WeakPolarHBondContact O-CB 3.48Å; F742-T745 PolarHBondContact O-N 3.49Å; E743-T745 VanDerWaalsContact C-N 3.31Å; E743-T745 PolarHBondContact O-N 3.21Å; T745-W747 VanDerWaalsContact C-N 3.34Å; T745-W747 PolarHBondContact O-N 3.12Å; T745-I748 PolarHBondContact O-N 3.31Å; T745-I749 HydrophobicContact CG2-CD1 3.63Å; T745-I749 WeakPolarHBondContact O-CB 3.46Å; T745-I749 VanDerWaalsContact O-CG1 3.28Å; T745-I749 WeakPolarHBondContact O-CG1 3.38Å; T745-I749 PolarHBondContact O-N 2.76Å; T745-I801 HydrophobicContact CG2-CD1 4.03Å; T745-I801 HydrophobicContact CG2-CG1 4.01Å; T745-I801 HydrophobicContact CG2-CG2 4.44Å
746	R	93.6	Very high	90.9	Very high	125 Å²	125	61.4 Å²	61.4	47%	0.472	29%	0.291	S	S	.	.	H	α-helix	trans	-58.3	-43.6	175.2	-174.1	-176.4	-58.5	159.2	4.1	112	F742 E743 E750 L804	F742-R746 WeakPolarHBondContact O-CB 3.44Å; F742-R746 PolarHBondContact O-N 3.42Å; E743-R746 PolarHBondContact O-N 3.38Å; R746-E750 PolarHBondContact O-N 2.81Å; R746-L804 HydrophobicContact CB-CD1 4.16Å; R746-L804 HydrophobicContact CG-CD1 4.17Å
747	W	92.6	Very high	90.8	Very high	114 Å²	114	62.6 Å²	62.6	43%	0.432	30%	0.3	S	S	.	.	H	α-helix	trans	-64.9	-45.2	177.5	-179	94.7	0	0	0	112.6	P620 E743 K744 T745 I749 K751	P620-W747 HydrophobicContact CB-CE3 4.45Å; P620-W747 HydrophobicContact CB-CH2 4.3Å; P620-W747 HydrophobicContact CB-CZ3 3.62Å; P620-W747 HydrophobicContact CG-CZ3 4.44Å; E743-W747 PolarHBondContact O-N 3.08Å; K744-W747 PolarHBondContact O-N 2.97Å; T745-W747 VanDerWaalsContact C-N 3.34Å; T745-W747 PolarHBondContact O-N 3.12Å; W747-I749 VanDerWaalsContact C-N 3.34Å; W747-I749 PolarHBondContact O-N 3.07Å; W747-K751 HydrophobicContact CE3-CD 4.2Å; W747-K751 HydrophobicContact CH2-CD 3.38Å; W747-K751 HydrophobicContact CZ2-CD 3.78Å; W747-K751 HydrophobicContact CZ3-CD 3.57Å; W747-K751 WeakPolarHBondContact O-CB 3.22Å; W747-K751 PolarHBondContact O-N 2.95Å
748	I	94.6	Very high	90.8	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.7	-49.5	176.9	-70.1	163	0	0	0	109.4	I586 L589 H590 V593 P620 K744 T745 K751 Y752	I586-I748 HydrophobicContact CD1-CD1 4.4Å; I586-I748 HydrophobicContact CG2-CD1 4.25Å; L589-I748 HydrophobicContact CD2-CB 4.42Å; L589-I748 HydrophobicContact CD2-CD1 3.84Å; L589-I748 HydrophobicContact CD2-CG2 4.47Å; L589-I748 HydrophobicContact CG-CD1 4.23Å; L589-I748 HydrophobicContact CG-CG2 4.22Å; H590-I748 HydrophobicContact CB-CD1 4.24Å; V593-I748 HydrophobicContact CB-CG2 4.36Å; V593-I748 HydrophobicContact CG1-CG2 4Å; V593-I748 HydrophobicContact CG2-CG2 3.52Å; P620-I748 HydrophobicContact CB-CG1 4.46Å; P620-I748 HydrophobicContact CG-CD1 3.85Å; P620-I748 HydrophobicContact CG-CG1 3.98Å; K744-I748 VanDerWaalsContact O-CG1 3.24Å; K744-I748 WeakPolarHBondContact O-CG1 3.41Å; K744-I748 PolarHBondContact O-N 3.32Å; T745-I748 PolarHBondContact O-N 3.31Å; I748-K751 PolarHBondContact O-N 3.17Å; I748-Y752 HydrophobicContact CG2-CD2 4.28Å; I748-Y752 WeakPolarHBondContact O-CD2 3.35Å; I748-Y752 PolarHBondContact O-N 3.12Å
749	I	92.7	Very high	90.8	Very high	7 Å²	7	56 Å²	56	4%	0.036	28%	0.275	C	S	.	.	H	α-helix	trans	-64.2	-47.8	-175.6	-68.1	167.3	0	0	0	110.6	V593 T745 W747 K751 Y752 R753 L804 F805	V593-I749 HydrophobicContact CG1-CG1 4.47Å; T745-I749 HydrophobicContact CG2-CD1 3.63Å; T745-I749 WeakPolarHBondContact O-CB 3.46Å; T745-I749 VanDerWaalsContact O-CG1 3.28Å; T745-I749 WeakPolarHBondContact O-CG1 3.38Å; T745-I749 PolarHBondContact O-N 2.76Å; W747-I749 VanDerWaalsContact C-N 3.34Å; W747-I749 PolarHBondContact O-N 3.07Å; I749-K751 PolarHBondContact O-N 3.48Å; I749-Y752 PolarHBondContact O-N 3.47Å; I749-R753 VanDerWaalsContact O-CB 3.25Å; I749-R753 WeakPolarHBondContact O-CB 3.26Å; I749-R753 PolarHBondContact O-N 2.85Å; I749-L804 HydrophobicContact CB-CD2 4.11Å; I749-L804 HydrophobicContact CD1-CD2 3.57Å; I749-L804 HydrophobicContact CG1-CD2 4.44Å; I749-L804 HydrophobicContact CG2-CD2 4Å; I749-F805 HydrophobicContact CB-CE1 4.43Å; I749-F805 HydrophobicContact CD1-CD1 4.06Å; I749-F805 HydrophobicContact CD1-CD2 3.85Å; I749-F805 HydrophobicContact CD1-CE1 3.72Å; I749-F805 HydrophobicContact CD1-CE2 3.48Å; I749-F805 VanDerWaalsContact CD1-CE2 3.48Å; I749-F805 HydrophobicContact CD1-CG 4.15Å; I749-F805 HydrophobicContact CD1-CZ 3.43Å; I749-F805 VanDerWaalsContact CD1-CZ 3.43Å; I749-F805 HydrophobicContact CG1-CD1 4.22Å; I749-F805 HydrophobicContact CG1-CE1 3.58Å; I749-F805 HydrophobicContact CG1-CE2 4.17Å; I749-F805 HydrophobicContact CG1-CZ 3.57Å; I749-F805 HydrophobicContact CG2-CD1 4.04Å; I749-F805 HydrophobicContact CG2-CE1 4.07Å
750	E	91.1	Very high	90.7	Very high	86 Å²	86	55.2 Å²	55.2	40%	0.402	26%	0.261	S	S	.	.	H	α-helix	trans	-67.3	-38.6	179.9	-173.6	56.5	-160.9	0	0	112.9	R746 Y752 R753	R746-E750 PolarHBondContact O-N 2.81Å; E750-Y752 PolarHBondContact O-N 2.96Å; E750-R753 IonicContact OE1-CZ 3.11Å; E750-R753 IonicContact OE1-NE 2.74Å; E750-R753 PolarHBondContact OE1-NE 3.17Å; E750-R753 IonicContact OE1-NH2 3.92Å; E750-R753 PolarHBondContact OE1-NH2 3.47Å; E750-R753 IonicContact OE2-CZ 2.69Å; E750-R753 IonicContact OE2-NE 3.48Å; E750-R753 PolarHBondContact OE2-NE 2.72Å; E750-R753 IonicContact OE2-NH2 2.7Å; E750-R753 PolarHBondContact OE2-NH2 3.16Å
751	K	90.3	Very high	90.7	Very high	59 Å²	59	53.4 Å²	53.4	26%	0.257	25%	0.251	S	S	.	.	H	α-helix	trans	-60	-44	175.5	172.8	179.8	161.5	-172.6	0	112.2	C621 N622 W747 I748 I749	C621-K751 PolarHBondContact O-NZ 3.41Å; N622-K751 VanDerWaalsContact OD1-CE 3.23Å; N622-K751 WeakPolarHBondContact OD1-CE 3.37Å; N622-K751 PolarHBondContact OD1-NZ 3.07Å; W747-K751 HydrophobicContact CE3-CD 4.2Å; W747-K751 HydrophobicContact CH2-CD 3.38Å; W747-K751 HydrophobicContact CZ2-CD 3.78Å; W747-K751 HydrophobicContact CZ3-CD 3.57Å; W747-K751 WeakPolarHBondContact O-CB 3.22Å; W747-K751 PolarHBondContact O-N 2.95Å; I748-K751 PolarHBondContact O-N 3.17Å; I749-K751 PolarHBondContact O-N 3.48Å
752	Y	90.2	Very high	90.4	Very high	15 Å²	15	58.6 Å²	58.6	6%	0.059	28%	0.279	C	S	.	.	H	α-helix	trans	-90.4	-18.9	-175.3	-75.1	-84.7	0	0	0	113.8	H590 V593 V598 I748 I749 E750 L754 S755 S758	H590-Y752 AromaticContact CD2-CE2 3.6Å; H590-Y752 AromaticContact NE2-CE2 3.3Å; H590-Y752 VanDerWaalsContact NE2-CE2 3.3Å; H590-Y752 WeakPolarHBondContact NE2-CE2 3.48Å; H590-Y752 AromaticContact NE2-CZ 3.56Å; H590-Y752 PolarHBondContact NE2-OH 2.94Å; V593-Y752 HydrophobicContact CB-CG 4.44Å; V593-Y752 HydrophobicContact CG2-CD1 4.42Å; V593-Y752 HydrophobicContact CG2-CD2 3.75Å; V593-Y752 HydrophobicContact CG2-CG 3.72Å; V598-Y752 HydrophobicContact CG1-CE1 3.83Å; I748-Y752 HydrophobicContact CG2-CD2 4.28Å; I748-Y752 WeakPolarHBondContact O-CD2 3.35Å; I748-Y752 PolarHBondContact O-N 3.12Å; I749-Y752 PolarHBondContact O-N 3.47Å; E750-Y752 PolarHBondContact O-N 2.96Å; Y752-L754 VanDerWaalsContact C-N 3.3Å; Y752-L754 PolarHBondContact O-N 3.04Å; Y752-L754 VanDerWaalsContact O-N 3.16Å; Y752-S755 WeakPolarHBondContact O-CB 3.32Å; Y752-S755 PolarHBondContact O-N 3.5Å; Y752-S755 PolarHBondContact O-OG 3.12Å; Y752-S758 VanDerWaalsContact O-CB 3.26Å; Y752-S758 WeakPolarHBondContact O-CB 3.2Å; Y752-S758 PolarHBondContact O-OG 3.33Å
753	R	87.1	Confident	90.2	Very high	57 Å²	57	61.2 Å²	61.2	22%	0.215	29%	0.29	C	S	.	.	H	α-helix	trans	-45.8	-48	179.9	-178	166.7	72.5	104.5	3.5	113.8	I749 E750 S758 N812	I749-R753 VanDerWaalsContact O-CB 3.25Å; I749-R753 WeakPolarHBondContact O-CB 3.26Å; I749-R753 PolarHBondContact O-N 2.85Å; E750-R753 IonicContact OE1-CZ 3.11Å; E750-R753 IonicContact OE1-NE 2.74Å; E750-R753 PolarHBondContact OE1-NE 3.17Å; E750-R753 IonicContact OE1-NH2 3.92Å; E750-R753 PolarHBondContact OE1-NH2 3.47Å; E750-R753 IonicContact OE2-CZ 2.69Å; E750-R753 IonicContact OE2-NE 3.48Å; E750-R753 PolarHBondContact OE2-NE 2.72Å; E750-R753 IonicContact OE2-NH2 2.7Å; E750-R753 PolarHBondContact OE2-NH2 3.16Å; R753-S758 PolarHBondContact O-OG 3.34Å; R753-N812 PolarHBondContact NH1-OD1 3.26Å
754	L	83.1	Confident	90	Very high	128 Å²	128	60 Å²	60	67%	0.67	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	9.9	-177.3	-57.5	179.7	0	0	0	113.7	Y752	Y752-L754 VanDerWaalsContact C-N 3.3Å; Y752-L754 PolarHBondContact O-N 3.04Å; Y752-L754 VanDerWaalsContact O-N 3.16Å
755	S	85.6	Confident	89.6	Confident	31 Å²	31	58.7 Å²	58.7	22%	0.217	28%	0.281	C	S	.	.	S	Bend	trans	-78.5	145.6	-179.8	73.1	0	0	0	0	112.1	Y752 S757 S758	Y752-S755 WeakPolarHBondContact O-CB 3.32Å; Y752-S755 PolarHBondContact O-N 3.5Å; Y752-S755 PolarHBondContact O-OG 3.12Å; S755-S757 PolarHBondContact O-N 3.11Å; S755-S757 VanDerWaalsContact O-N 3.1Å; S755-S758 WeakPolarHBondContact O-CB 3.26Å; S755-S758 PolarHBondContact O-N 2.77Å; S755-S758 PolarHBondContact OG-N 3.44Å; S755-S758 VanDerWaalsContact OG-N 3.16Å
756	H	84.1	Confident	89	Confident	212 Å²	212	60.7 Å²	60.7	98%	0.981	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-16.5	176.9	-62.7	92	0	0	0	113.7
757	S	87.4	Confident	88.2	Confident	32 Å²	32	61.9 Å²	61.9	22%	0.224	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	6.4	176.4	59.4	0	0	0	0	113.6	S594 M595 A596 S755 V759	S594-S757 CarbonylContact C-O 3.49Å; S594-S757 WeakPolarHBondContact CA-O 3.44Å; S594-S757 PolarHBondContact OG-OG 2.9Å; S594-S757 VanDerWaalsContact OG-OG 3.07Å; M595-S757 PolarHBondContact N-O 2.95Å; A596-S757 VanDerWaalsContact CB-CB 3.48Å; S755-S757 PolarHBondContact O-N 3.11Å; S755-S757 VanDerWaalsContact O-N 3.1Å; S757-V759 PolarHBondContact O-N 3.13Å
758	S	91.8	Very high	87.5	Confident	31 Å²	31	61.9 Å²	61.9	22%	0.217	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-53.2	130.6	-179.4	-172	0	0	0	0	111.7	Y752 R753 S755	Y752-S758 VanDerWaalsContact O-CB 3.26Å; Y752-S758 WeakPolarHBondContact O-CB 3.2Å; Y752-S758 PolarHBondContact O-OG 3.33Å; R753-S758 PolarHBondContact O-OG 3.34Å; S755-S758 WeakPolarHBondContact O-CB 3.26Å; S755-S758 PolarHBondContact O-N 2.77Å; S755-S758 PolarHBondContact OG-N 3.44Å; S755-S758 VanDerWaalsContact OG-N 3.16Å
759	V	90.9	Very high	86.9	Confident	2 Å²	2	63.1 Å²	63.1	1%	0.012	31%	0.31	C	S	.	.			trans	-76.5	127	174.6	170.5	0	0	0	0	109.8	H592 V593 M595 Y695 S757 M761 C773 Y809	H592-V759 WeakPolarHBondContact O-CB 3.26Å; H592-V759 VanDerWaalsContact O-CG2 3.23Å; H592-V759 WeakPolarHBondContact O-CG2 3.21Å; V593-V759 PolarHBondContact O-N 3.37Å; M595-V759 HydrophobicContact CG-CG2 3.75Å; M595-V759 HydrophobicContact SD-CG2 3.81Å; Y695-V759 HydrophobicContact CE2-CG1 4.45Å; Y695-V759 HydrophobicContact CE2-CG2 4.11Å; S757-V759 PolarHBondContact O-N 3.13Å; V759-M761 HydrophobicContact CB-CE 4.31Å; V759-M761 HydrophobicContact CG1-CE 4.3Å; V759-M761 HydrophobicContact CG1-SD 4.3Å; V759-M761 PolarHBondContact O-N 3.39Å; V759-C773 HydrophobicContact CG1-CB 3.88Å; V759-Y809 PolarHBondContact O-OH 2.82Å
760	P	89.6	Confident	86.5	Confident	34 Å²	34	70.3 Å²	70.3	22%	0.221	35%	0.349	C	S	.	.			trans	-72.4	96.8	170.5	30.5	-33.9	0	0	0	109.3	W42 D762 K763	W42-P760 HydrophobicContact CZ3-CG 4.12Å; P760-D762 VanDerWaalsContact C-OD1 3.27Å; P760-D762 WeakPolarHBondContact CB-OD1 3.32Å; P760-D762 PolarHBondContact O-N 3.19Å; P760-K763 HydrophobicContact CB-CB 4.49Å; P760-K763 HydrophobicContact CB-CD 3.87Å; P760-K763 HydrophobicContact CB-CG 3.99Å; P760-K763 HydrophobicContact CG-CB 4.33Å; P760-K763 HydrophobicContact CG-CD 3.68Å; P760-K763 HydrophobicContact CG-CG 4.13Å; P760-K763 PolarHBondContact O-N 3.49Å; P760-K763 VanDerWaalsContact O-N 3.14Å
761	M	90.9	Very high	86.4	Confident	2 Å²	2	68.7 Å²	68.7	1%	0.01	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-22.4	-173.6	-76.3	-64.1	175.6	0	0	114.2	H592 V593 V759 T772 C773 L774 L777 F805 Y809	H592-M761 HydrophobicContact CB-CE 4.27Å; H592-M761 VanDerWaalsContact O-CE 3.27Å; H592-M761 WeakPolarHBondContact O-CE 3.43Å; V593-M761 HydrophobicContact CB-CE 4.41Å; V593-M761 HydrophobicContact CG1-CE 3.9Å; V759-M761 HydrophobicContact CB-CE 4.31Å; V759-M761 HydrophobicContact CG1-CE 4.3Å; V759-M761 HydrophobicContact CG1-SD 4.3Å; V759-M761 PolarHBondContact O-N 3.39Å; M761-T772 WeakPolarHBondContact O-CB 3.46Å; M761-C773 HydrophobicContact SD-CB 4.07Å; M761-L774 HydrophobicContact CB-CB 4.14Å; M761-L774 WeakPolarHBondContact O-CB 3.5Å; M761-L774 PolarHBondContact O-N 3.09Å; M761-L774 HydrophobicContact SD-CB 4.5Å; M761-L777 HydrophobicContact CE-CD2 4.27Å; M761-F805 HydrophobicContact CE-CE1 3.91Å; M761-F805 HydrophobicContact CE-CZ 3.93Å; M761-F805 HydrophobicContact CG-CD1 3.93Å; M761-F805 HydrophobicContact CG-CE1 3.78Å; M761-F805 HydrophobicContact CG-CZ 4.45Å; M761-F805 HydrophobicContact SD-CE1 4.34Å; M761-F805 HydrophobicContact SD-CZ 4.45Å; M761-Y809 HydrophobicContact CB-CE2 3.68Å; M761-Y809 HydrophobicContact CG-CE2 4.01Å; M761-Y809 WeakPolarHBondContact CG-OH 3.46Å
762	D	88.8	Confident	86.5	Confident	109 Å²	109	67.2 Å²	67.2	58%	0.583	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-21.7	175.4	62	-51.1	0	0	0	113.9	P760 T772	P760-D762 VanDerWaalsContact C-OD1 3.27Å; P760-D762 WeakPolarHBondContact CB-OD1 3.32Å; P760-D762 PolarHBondContact O-N 3.19Å; D762-T772 WeakPolarHBondContact O-CG2 3.35Å
763	K	89.3	Confident	86.7	Confident	76 Å²	76	66.7 Å²	66.7	33%	0.33	34%	0.337	S	S	.	.	S	Bend	trans	-86.5	149.7	-173.6	-65.2	-173.3	-170.1	177.6	0	113	W42 P760 T772 C773	W42-K763 HydrophobicContact CE3-CD 4.45Å; W42-K763 HydrophobicContact CZ3-CB 4.33Å; W42-K763 HydrophobicContact CZ3-CD 4.08Å; P760-K763 HydrophobicContact CB-CB 4.49Å; P760-K763 HydrophobicContact CB-CD 3.87Å; P760-K763 HydrophobicContact CB-CG 3.99Å; P760-K763 HydrophobicContact CG-CB 4.33Å; P760-K763 HydrophobicContact CG-CD 3.68Å; P760-K763 HydrophobicContact CG-CG 4.13Å; P760-K763 PolarHBondContact O-N 3.49Å; P760-K763 VanDerWaalsContact O-N 3.14Å; K763-T772 CarbonylContact O-C 3.59Å; K763-T772 VanDerWaalsContact O-CA 3.26Å; K763-T772 WeakPolarHBondContact O-CA 3.26Å; K763-C773 PolarHBondContact O-N 3.36Å
764	I	89.4	Confident	87	Confident	97 Å²	97	64.4 Å²	64.4	50%	0.497	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-60.9	131.4	174.1	-65	171.3	0	0	0	110.4	R766 S769 L771	I764-R766 WeakPolarHBondContact CG2-O 3.34Å; I764-S769 VanDerWaalsContact CG2-O 3.23Å; I764-S769 WeakPolarHBondContact CG2-O 3.14Å; I764-L771 WeakPolarHBondContact CA-O 3.22Å
765	F	84.4	Confident	87.5	Confident	16 Å²	16	62.2 Å²	62.2	7%	0.07	32%	0.315	C	S	.	.	S	Bend	trans	-80.9	-30.8	-171.4	90.7	-84.6	0	0	0	114.3	Y695 S769 L771 K776	Y695-F765 HydrophobicContact CD1-CB 4.16Å; Y695-F765 HydrophobicContact CD1-CD2 4.25Å; Y695-F765 HydrophobicContact CE1-CB 4.22Å; F765-S769 WeakPolarHBondContact CE1-OG 3.4Å; F765-L771 HydrophobicContact CD1-CB 3.94Å; F765-L771 WeakPolarHBondContact CD1-O 3.42Å; F765-L771 HydrophobicContact CE1-CB 3.93Å; F765-L771 HydrophobicContact CE1-CD1 4.28Å; F765-L771 PolarHBondContact N-O 3.33Å; F765-L771 VanDerWaalsContact N-O 3.07Å; F765-K776 HydrophobicContact CB-CD 4.37Å; F765-K776 HydrophobicContact CD1-CB 4.01Å; F765-K776 HydrophobicContact CD1-CD 4.37Å; F765-K776 HydrophobicContact CD1-CG 4.15Å; F765-K776 HydrophobicContact CD2-CD 3.69Å; F765-K776 HydrophobicContact CD2-CG 4.22Å; F765-K776 HydrophobicContact CE1-CB 4.35Å; F765-K776 HydrophobicContact CE1-CG 4.18Å; F765-K776 HydrophobicContact CE2-CD 4.01Å; F765-K776 HydrophobicContact CE2-CG 4.24Å; F765-K776 HydrophobicContact CG-CB 4.25Å; F765-K776 HydrophobicContact CG-CD 3.9Å; F765-K776 HydrophobicContact CG-CG 4.19Å; F765-K776 HydrophobicContact CZ-CG 4.24Å
766	R	82.3	Confident	87.9	Confident	42 Å²	42	60.8 Å²	60.8	16%	0.158	31%	0.305	C	S	.	.			trans	-145.5	151	166	-50.8	-173.3	-47.4	-118	-0.5	110.1	N699 P700 I764 D768 S769	N699-R766 PolarHBondContact O-NH1 2.94Å; P700-R766 PolarHBondContact O-NH1 2.99Å; P700-R766 VanDerWaalsContact O-NH1 3.16Å; P700-R766 PolarHBondContact O-NH2 3.05Å; P700-R766 VanDerWaalsContact O-NH2 3.1Å; I764-R766 WeakPolarHBondContact CG2-O 3.34Å; R766-D768 WeakPolarHBondContact CB-OD1 3.37Å; R766-D768 IonicContact CZ-OD1 3.17Å; R766-D768 IonicContact CZ-OD2 2.67Å; R766-D768 VanDerWaalsContact CZ-OD2 3.28Å; R766-D768 IonicContact NE-OD1 3.42Å; R766-D768 PolarHBondContact NE-OD1 2.92Å; R766-D768 IonicContact NE-OD2 3.76Å; R766-D768 PolarHBondContact NE-OD2 2.96Å; R766-D768 VanDerWaalsContact NE-OD2 3.11Å; R766-D768 IonicContact NH2-OD1 3.2Å; R766-D768 IonicContact NH2-OD2 3.73Å; R766-D768 PolarHBondContact NH2-OD2 3.28Å; R766-D768 PolarHBondContact O-N 3.39Å; R766-S769 PolarHBondContact O-N 3.08Å; R766-S769 VanDerWaalsContact O-N 3.12Å
767	R	76.8	Confident	88.4	Confident	149 Å²	149	50.7 Å²	50.7	56%	0.562	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-16.1	-178.3	-58.8	-173.4	-166	129.8	5.3	115.2	D39 S41 S769	D39-R767 VanDerWaalsContact CG-NH1 3.34Å; D39-R767 IonicContact OD1-CZ 2.69Å; D39-R767 IonicContact OD1-NH1 2.87Å; D39-R767 PolarHBondContact OD1-NH1 3.01Å; D39-R767 IonicContact OD1-NH2 2.76Å; D39-R767 PolarHBondContact OD1-NH2 3.12Å; D39-R767 IonicContact OD2-CZ 2.85Å; D39-R767 IonicContact OD2-NH1 2.73Å; D39-R767 PolarHBondContact OD2-NH1 3.08Å; D39-R767 IonicContact OD2-NH2 2.61Å; D39-R767 PolarHBondContact OD2-NH2 3.49Å; S41-R767 VanDerWaalsContact CB-NH2 3.31Å; S41-R767 PolarHBondContact OG-NE 3.36Å; S41-R767 VanDerWaalsContact OG-NE 3.1Å; S41-R767 PolarHBondContact OG-NH2 3.27Å; R767-S769 VanDerWaalsContact C-N 3.33Å
768	D	77.4	Confident	88.8	Confident	115 Å²	115	49.8 Å²	49.8	62%	0.615	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	9.3	176.1	65.1	-62.1	0	0	0	112.8	R766	R766-D768 WeakPolarHBondContact CB-OD1 3.37Å; R766-D768 IonicContact CZ-OD1 3.17Å; R766-D768 IonicContact CZ-OD2 2.67Å; R766-D768 VanDerWaalsContact CZ-OD2 3.28Å; R766-D768 IonicContact NE-OD1 3.42Å; R766-D768 PolarHBondContact NE-OD1 2.92Å; R766-D768 IonicContact NE-OD2 3.76Å; R766-D768 PolarHBondContact NE-OD2 2.96Å; R766-D768 VanDerWaalsContact NE-OD2 3.11Å; R766-D768 IonicContact NH2-OD1 3.2Å; R766-D768 IonicContact NH2-OD2 3.73Å; R766-D768 PolarHBondContact NH2-OD2 3.28Å; R766-D768 PolarHBondContact O-N 3.39Å
769	S	81.3	Confident	88.9	Confident	26 Å²	26	50.9 Å²	50.9	18%	0.182	25%	0.253	C	S	.	.			trans	-139.6	140.9	-180	-169.1	0	0	0	0	111.7	I764 F765 R766 R767 L771	I764-S769 VanDerWaalsContact CG2-O 3.23Å; I764-S769 WeakPolarHBondContact CG2-O 3.14Å; F765-S769 WeakPolarHBondContact CE1-OG 3.4Å; R766-S769 PolarHBondContact O-N 3.08Å; R766-S769 VanDerWaalsContact O-N 3.12Å; R767-S769 VanDerWaalsContact C-N 3.33Å; S769-L771 PolarHBondContact O-N 3.37Å
770	D	84.5	Confident	89	Confident	157 Å²	157	51 Å²	51	84%	0.84	25%	0.254	S	S	*	.			trans	-79.9	-2.9	-179.8	-50.1	-70	0	0	0	113.7
771	L	89.6	Confident	89.3	Confident	52 Å²	52	49.4 Å²	49.4	27%	0.272	24%	0.243	S	C	.	.			trans	-83.9	140.4	-175.2	-54.8	179.2	0	0	0	112.8	P702 I764 F765 S769 Q775	P702-L771 HydrophobicContact CB-CD1 4.1Å; I764-L771 WeakPolarHBondContact CA-O 3.22Å; F765-L771 HydrophobicContact CD1-CB 3.94Å; F765-L771 WeakPolarHBondContact CD1-O 3.42Å; F765-L771 HydrophobicContact CE1-CB 3.93Å; F765-L771 HydrophobicContact CE1-CD1 4.28Å; F765-L771 PolarHBondContact N-O 3.33Å; F765-L771 VanDerWaalsContact N-O 3.07Å; S769-L771 PolarHBondContact O-N 3.37Å; L771-Q775 HydrophobicContact CB-CB 4.22Å; L771-Q775 HydrophobicContact CD2-CB 4.24Å
772	T	92.9	Very high	89.4	Confident	29 Å²	29	53.6 Å²	53.6	18%	0.178	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-74.4	164	164.5	69.2	0	0	0	0	112.2	M761 D762 K763 L774 Q775 K776	M761-T772 WeakPolarHBondContact O-CB 3.46Å; D762-T772 WeakPolarHBondContact O-CG2 3.35Å; K763-T772 CarbonylContact O-C 3.59Å; K763-T772 VanDerWaalsContact O-CA 3.26Å; K763-T772 WeakPolarHBondContact O-CA 3.26Å; T772-L774 PolarHBondContact O-N 2.97Å; T772-L774 PolarHBondContact OG1-N 3.45Å; T772-Q775 PolarHBondContact O-N 3.2Å; T772-Q775 WeakPolarHBondContact OG1-CG 3.48Å; T772-Q775 PolarHBondContact OG1-N 3.25Å; T772-Q775 VanDerWaalsContact OG1-N 3.09Å; T772-K776 WeakPolarHBondContact O-CB 3.22Å; T772-K776 PolarHBondContact O-N 3.1Å
773	C	92.7	Very high	89.6	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.02	25%	0.249	C	C	.	.	H	α-helix	trans	-54.8	-36.5	170.9	-76.2	0	0	0	0	112.3	Y695 V759 M761 K763 L777	Y695-C773 HydrophobicContact CE1-CB 4.26Å; V759-C773 HydrophobicContact CG1-CB 3.88Å; M761-C773 HydrophobicContact SD-CB 4.07Å; K763-C773 PolarHBondContact O-N 3.36Å; C773-L777 WeakPolarHBondContact O-CB 3.41Å; C773-L777 PolarHBondContact O-N 3.48Å; C773-L777 VanDerWaalsContact O-N 3.1Å
774	L	93.8	Very high	89.8	Confident	9 Å²	9	50 Å²	50	5%	0.047	24%	0.24	C	C	.	.	H	α-helix	trans	-67	-50.8	173.5	-175.1	50.8	0	0	0	112.3	M761 T772 K776 L777 L778 E802 F805	M761-L774 HydrophobicContact CB-CB 4.14Å; M761-L774 WeakPolarHBondContact O-CB 3.5Å; M761-L774 PolarHBondContact O-N 3.09Å; M761-L774 HydrophobicContact SD-CB 4.5Å; T772-L774 PolarHBondContact O-N 2.97Å; T772-L774 PolarHBondContact OG1-N 3.45Å; L774-K776 VanDerWaalsContact C-N 3.28Å; L774-K776 PolarHBondContact O-N 3.09Å; L774-L777 WeakPolarHBondContact O-CB 3.26Å; L774-L777 PolarHBondContact O-N 3.5Å; L774-L777 VanDerWaalsContact O-N 3.14Å; L774-L778 HydrophobicContact CD1-CD1 4.16Å; L774-L778 HydrophobicContact CD1-CG 4.23Å; L774-L778 HydrophobicContact CG-CD1 4.02Å; L774-L778 WeakPolarHBondContact O-CG 3.47Å; L774-L778 PolarHBondContact O-N 3.45Å; L774-E802 HydrophobicContact CD2-CG 4.06Å; L774-F805 HydrophobicContact CD1-CB 4.11Å; L774-F805 HydrophobicContact CD1-CD2 3.33Å; L774-F805 HydrophobicContact CD1-CE2 3.8Å; L774-F805 HydrophobicContact CD1-CG 3.84Å; L774-F805 HydrophobicContact CD2-CB 4.03Å
775	Q	93.5	Very high	89.9	Confident	83 Å²	83	45.4 Å²	45.4	39%	0.388	22%	0.216	S	C	.	.	H	α-helix	trans	-62.2	-38.2	-179.8	-72	166.5	-20.6	0	0	111.5	L771 T772 L778 E779	L771-Q775 HydrophobicContact CB-CB 4.22Å; L771-Q775 HydrophobicContact CD2-CB 4.24Å; T772-Q775 PolarHBondContact O-N 3.2Å; T772-Q775 WeakPolarHBondContact OG1-CG 3.48Å; T772-Q775 PolarHBondContact OG1-N 3.25Å; T772-Q775 VanDerWaalsContact OG1-N 3.09Å; Q775-L778 PolarHBondContact O-N 3.49Å; Q775-E779 WeakPolarHBondContact O-CB 3.45Å; Q775-E779 PolarHBondContact O-N 3.03Å
776	K	94.4	Very high	90.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.8	-45.9	173	-173.8	-139.8	171.5	-67	0	111.8	H592 P694 Y695 P702 S704 F765 T772 L774 E779 C780	H592-K776 PolarHBondContact NE2-NZ 3.02Å; P694-K776 WeakPolarHBondContact O-CE 3.5Å; P694-K776 PolarHBondContact O-NZ 2.8Å; Y695-K776 HydrophobicContact CD1-CD 3.9Å; Y695-K776 HydrophobicContact CE1-CD 3.69Å; P702-K776 WeakPolarHBondContact O-CE 3.39Å; P702-K776 WeakPolarHBondContact O-CG 3.4Å; P702-K776 PolarHBondContact O-NZ 3.07Å; S704-K776 PolarHBondContact OG-NZ 3.5Å; F765-K776 HydrophobicContact CB-CD 4.37Å; F765-K776 HydrophobicContact CD1-CB 4.01Å; F765-K776 HydrophobicContact CD1-CD 4.37Å; F765-K776 HydrophobicContact CD1-CG 4.15Å; F765-K776 HydrophobicContact CD2-CD 3.69Å; F765-K776 HydrophobicContact CD2-CG 4.22Å; F765-K776 HydrophobicContact CE1-CB 4.35Å; F765-K776 HydrophobicContact CE1-CG 4.18Å; F765-K776 HydrophobicContact CE2-CD 4.01Å; F765-K776 HydrophobicContact CE2-CG 4.24Å; F765-K776 HydrophobicContact CG-CB 4.25Å; F765-K776 HydrophobicContact CG-CD 3.9Å; F765-K776 HydrophobicContact CG-CG 4.19Å; F765-K776 HydrophobicContact CZ-CG 4.24Å; T772-K776 WeakPolarHBondContact O-CB 3.22Å; T772-K776 PolarHBondContact O-N 3.1Å; L774-K776 VanDerWaalsContact C-N 3.28Å; L774-K776 PolarHBondContact O-N 3.09Å; K776-E779 PolarHBondContact O-N 3.14Å; K776-C780 PolarHBondContact NZ-SG 2.94Å; K776-C780 PolarHBondContact O-N 2.78Å; K776-C780 PolarHBondContact O-SG 2.81Å
777	L	95.3	Very high	89.9	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.4	-50.6	174.4	165	62.1	0	0	0	111	L589 H592 M761 C773 L774 E779 C780 M781 F805	L589-L777 HydrophobicContact CB-CD1 4.43Å; L589-L777 HydrophobicContact CD1-CD1 4.22Å; L589-L777 HydrophobicContact CD1-CD2 3.65Å; H592-L777 HydrophobicContact CB-CB 4.31Å; H592-L777 HydrophobicContact CB-CD1 3.98Å; H592-L777 HydrophobicContact CB-CD2 4.27Å; H592-L777 HydrophobicContact CB-CG 4.41Å; M761-L777 HydrophobicContact CE-CD2 4.27Å; C773-L777 WeakPolarHBondContact O-CB 3.41Å; C773-L777 PolarHBondContact O-N 3.48Å; C773-L777 VanDerWaalsContact O-N 3.1Å; L774-L777 WeakPolarHBondContact O-CB 3.26Å; L774-L777 PolarHBondContact O-N 3.5Å; L774-L777 VanDerWaalsContact O-N 3.14Å; L777-E779 VanDerWaalsContact C-N 3.26Å; L777-E779 PolarHBondContact O-N 2.69Å; L777-C780 WeakPolarHBondContact O-CB 3.38Å; L777-C780 PolarHBondContact O-N 3.35Å; L777-C780 VanDerWaalsContact O-N 3.07Å; L777-M781 HydrophobicContact CD1-CG 3.95Å; L777-M781 HydrophobicContact CD1-SD 3.65Å; L777-M781 HydrophobicContact CG-SD 4.03Å; L777-M781 WeakPolarHBondContact O-CG 3.46Å; L777-M781 PolarHBondContact O-N 3.22Å; L777-F805 HydrophobicContact CD2-CE2 3.6Å; L777-F805 HydrophobicContact CD2-CZ 3.74Å
778	L	94.9	Very high	90.1	Very high	13 Å²	13	46.5 Å²	46.5	7%	0.068	24%	0.238	C	C	.	.	H	α-helix	trans	-59.1	-37.5	178.6	-66.4	169.3	0	0	0	111.6	L774 Q775 M781 R782 L798 I801 E802	L774-L778 HydrophobicContact CD1-CD1 4.16Å; L774-L778 HydrophobicContact CD1-CG 4.23Å; L774-L778 HydrophobicContact CG-CD1 4.02Å; L774-L778 WeakPolarHBondContact O-CG 3.47Å; L774-L778 PolarHBondContact O-N 3.45Å; Q775-L778 PolarHBondContact O-N 3.49Å; L778-M781 PolarHBondContact O-N 3.03Å; L778-R782 WeakPolarHBondContact O-CB 3.42Å; L778-R782 PolarHBondContact O-N 3.09Å; L778-L798 HydrophobicContact CD2-CB 4.25Å; L778-L798 HydrophobicContact CD2-CD2 3.91Å; L778-L798 WeakPolarHBondContact CD2-O 3.44Å; L778-I801 HydrophobicContact CD2-CB 4.39Å; L778-I801 HydrophobicContact CD2-CG2 4.12Å; L778-E802 HydrophobicContact CD1-CB 3.83Å; L778-E802 HydrophobicContact CD1-CG 3.9Å; L778-E802 HydrophobicContact CD2-CB 4.48Å
779	E	93.7	Very high	90.1	Very high	55 Å²	55	41.8 Å²	41.8	26%	0.257	21%	0.214	S	C	.	.	H	α-helix	trans	-68.5	-34.9	175.5	-172	53.2	-140.6	0	0	113	P702 Y703 Q775 K776 L777 R782 K783	P702-E779 HydrophobicContact CG-CG 4.47Å; Y703-E779 HydrophobicContact CD1-CG 4.37Å; Y703-E779 HydrophobicContact CE1-CG 3.87Å; Q775-E779 WeakPolarHBondContact O-CB 3.45Å; Q775-E779 PolarHBondContact O-N 3.03Å; K776-E779 PolarHBondContact O-N 3.14Å; L777-E779 VanDerWaalsContact C-N 3.26Å; L777-E779 PolarHBondContact O-N 2.69Å; E779-R782 VanDerWaalsContact OE2-CD 3.27Å; E779-R782 WeakPolarHBondContact OE2-CD 3.26Å; E779-R782 IonicContact OE2-NE 3.68Å; E779-R782 PolarHBondContact OE2-NE 2.93Å; E779-K783 WeakPolarHBondContact O-CB 3.19Å; E779-K783 PolarHBondContact O-N 3.02Å
780	C	94.2	Very high	90.1	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.034	24%	0.235	C	C	.	.	H	α-helix	trans	-67.3	-42.1	172.7	-58.9	0	0	0	0	111.7	D588 P702 Y703 S704 K776 L777 T784	D588-C780 WeakPolarHBondContact OD2-CB 3.41Å; P702-C780 PolarHBondContact O-SG 2.87Å; Y703-C780 VanDerWaalsContact CA-SG 3.57Å; S704-C780 PolarHBondContact N-SG 3.35Å; K776-C780 PolarHBondContact NZ-SG 2.94Å; K776-C780 PolarHBondContact O-N 2.78Å; K776-C780 PolarHBondContact O-SG 2.81Å; L777-C780 WeakPolarHBondContact O-CB 3.38Å; L777-C780 PolarHBondContact O-N 3.35Å; L777-C780 VanDerWaalsContact O-N 3.07Å; C780-T784 PolarHBondContact O-N 3.41Å; C780-T784 VanDerWaalsContact O-N 3.1Å; C780-T784 PolarHBondContact O-OG1 2.86Å
781	M	94.6	Very high	90.1	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-68.4	-42.4	176.8	-64.1	-178.5	85	0	0	111.4	L585 L777 L778 T784 L785 F797 L798 I801	L585-M781 HydrophobicContact CB-CE 4.09Å; L585-M781 HydrophobicContact CD2-CB 3.69Å; L585-M781 HydrophobicContact CD2-CE 3.71Å; L585-M781 HydrophobicContact CD2-CG 3.81Å; L585-M781 HydrophobicContact CG-CE 4.43Å; L777-M781 HydrophobicContact CD1-CG 3.95Å; L777-M781 HydrophobicContact CD1-SD 3.65Å; L777-M781 HydrophobicContact CG-SD 4.03Å; L777-M781 WeakPolarHBondContact O-CG 3.46Å; L777-M781 PolarHBondContact O-N 3.22Å; L778-M781 PolarHBondContact O-N 3.03Å; M781-T784 WeakPolarHBondContact O-CA 3.33Å; M781-T784 WeakPolarHBondContact O-CB 3.01Å; M781-T784 PolarHBondContact O-N 2.89Å; M781-T784 VanDerWaalsContact O-N 3.09Å; M781-L785 WeakPolarHBondContact O-CG 3.33Å; M781-L785 PolarHBondContact O-N 2.86Å; M781-F797 HydrophobicContact CE-CE1 4.2Å; M781-L798 HydrophobicContact CB-CD2 3.56Å; M781-I801 HydrophobicContact CE-CD1 3.5Å; M781-I801 VanDerWaalsContact CE-CD1 3.5Å; M781-I801 HydrophobicContact SD-CD1 4.16Å
782	R	94.5	Very high	89.9	Confident	89 Å²	89	47.8 Å²	47.8	34%	0.336	24%	0.244	S	C	.	.	H	α-helix	trans	-55.2	-50.8	172	-177.8	-171.7	-64.4	-82.8	-14.8	111.8	L778 E779 T784 L785 S786 E795 L798	L778-R782 WeakPolarHBondContact O-CB 3.42Å; L778-R782 PolarHBondContact O-N 3.09Å; E779-R782 VanDerWaalsContact OE2-CD 3.27Å; E779-R782 WeakPolarHBondContact OE2-CD 3.26Å; E779-R782 IonicContact OE2-NE 3.68Å; E779-R782 PolarHBondContact OE2-NE 2.93Å; R782-T784 VanDerWaalsContact C-N 3.25Å; R782-T784 PolarHBondContact O-N 3.5Å; R782-L785 PolarHBondContact O-N 2.91Å; R782-S786 WeakPolarHBondContact O-CB 3.44Å; R782-S786 PolarHBondContact O-N 3.41Å; R782-E795 IonicContact CZ-OE1 2.99Å; R782-E795 IonicContact CZ-OE2 3.09Å; R782-E795 IonicContact NH1-OE1 2.73Å; R782-E795 PolarHBondContact NH1-OE1 2.95Å; R782-E795 IonicContact NH1-OE2 2.73Å; R782-E795 PolarHBondContact NH1-OE2 3.2Å; R782-E795 IonicContact NH2-OE1 3.54Å; R782-E795 IonicContact NH2-OE2 2.63Å; R782-E795 PolarHBondContact NH2-OE2 3.24Å; R782-L798 HydrophobicContact CB-CD1 3.77Å; R782-L798 HydrophobicContact CG-CD1 4.26Å
783	K	92.9	Very high	89.6	Confident	88 Å²	88	50.2 Å²	50.2	38%	0.383	25%	0.254	S	S	.	.	H	α-helix	trans	-56.7	-40.3	174.3	174.6	175.9	172.7	-175.7	0	112	Y703 E779 S786	Y703-K783 HydrophobicContact CD1-CB 3.97Å; Y703-K783 HydrophobicContact CD1-CD 3.27Å; Y703-K783 HydrophobicContact CD1-CG 4.26Å; Y703-K783 HydrophobicContact CD2-CD 3.81Å; Y703-K783 HydrophobicContact CE1-CB 3.88Å; Y703-K783 HydrophobicContact CE1-CD 3.51Å; Y703-K783 HydrophobicContact CE1-CG 4.25Å; Y703-K783 HydrophobicContact CE2-CD 4.03Å; Y703-K783 HydrophobicContact CG-CD 3.42Å; Y703-K783 VanDerWaalsContact CG-CD 3.42Å; E779-K783 WeakPolarHBondContact O-CB 3.19Å; E779-K783 PolarHBondContact O-N 3.02Å; K783-S786 PolarHBondContact O-OG 2.89Å
784	T	92.3	Very high	89.4	Confident	22 Å²	22	50.3 Å²	50.3	14%	0.135	26%	0.255	C	S	.	.	H	α-helix	trans	-65	-48.9	177.7	-59	0	0	0	0	110.9	L584 L585 Q731 C780 M781 R782 S786	L584-T784 HydrophobicContact CB-CG2 3.8Å; L584-T784 HydrophobicContact CD1-CG2 4.04Å; L585-T784 HydrophobicContact CD2-CG2 4.12Å; L585-T784 HydrophobicContact CG-CG2 4.16Å; Q731-T784 PolarHBondContact NE2-O 3.35Å; C780-T784 PolarHBondContact O-N 3.41Å; C780-T784 VanDerWaalsContact O-N 3.1Å; C780-T784 PolarHBondContact O-OG1 2.86Å; M781-T784 WeakPolarHBondContact O-CA 3.33Å; M781-T784 WeakPolarHBondContact O-CB 3.01Å; M781-T784 PolarHBondContact O-N 2.89Å; M781-T784 VanDerWaalsContact O-N 3.09Å; R782-T784 VanDerWaalsContact C-N 3.25Å; R782-T784 PolarHBondContact O-N 3.5Å; T784-S786 PolarHBondContact O-N 3.11Å
785	L	92.1	Very high	89.3	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-69.4	-29.5	-178.7	-68.4	177.9	0	0	0	113.8	L585 P736 W738 M781 R782 K787 V788 T789 A794 F797 L798	L585-L785 HydrophobicContact CD1-CD2 3.79Å; L585-L785 HydrophobicContact CD1-CG 4.4Å; L585-L785 HydrophobicContact CD2-CG 4.28Å; P736-L785 HydrophobicContact CG-CD2 4.08Å; W738-L785 HydrophobicContact CH2-CD1 4.1Å; W738-L785 HydrophobicContact CH2-CD2 3.58Å; W738-L785 HydrophobicContact CH2-CG 4.45Å; W738-L785 HydrophobicContact CZ3-CD1 4.02Å; W738-L785 HydrophobicContact CZ3-CD2 3.97Å; M781-L785 WeakPolarHBondContact O-CG 3.33Å; M781-L785 PolarHBondContact O-N 2.86Å; R782-L785 PolarHBondContact O-N 2.91Å; L785-K787 PolarHBondContact O-N 3.07Å; L785-V788 PolarHBondContact O-N 3.47Å; L785-T789 PolarHBondContact O-N 2.8Å; L785-T789 VanDerWaalsContact O-N 3.1Å; L785-A794 HydrophobicContact CB-CB 3.87Å; L785-A794 HydrophobicContact CD1-CB 3.83Å; L785-A794 HydrophobicContact CG-CB 4.47Å; L785-F797 HydrophobicContact CD1-CD1 3.97Å; L785-F797 HydrophobicContact CD1-CE1 4.47Å; L785-L798 HydrophobicContact CD1-CG 4.47Å
786	S	88.4	Confident	89.2	Confident	83 Å²	83	53.7 Å²	53.7	58%	0.58	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-19.7	-173.7	70	0	0	0	0	116.5	R782 K783 T784	R782-S786 WeakPolarHBondContact O-CB 3.44Å; R782-S786 PolarHBondContact O-N 3.41Å; K783-S786 PolarHBondContact O-OG 2.89Å; T784-S786 PolarHBondContact O-N 3.11Å
787	K	78.9	Confident	89.1	Confident	127 Å²	127	54.2 Å²	54.2	55%	0.552	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-9.2	179.2	-55.3	-172.9	-157.6	146.4	0	114.6	L785	L785-K787 PolarHBondContact O-N 3.07Å
788	V	79.7	Confident	89	Confident	20 Å²	20	54.4 Å²	54.4	12%	0.121	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.2	-31.8	-159.3	177.4	0	0	0	0	112.5	S581 L733 E734 E735 L785	S581-V788 WeakPolarHBondContact OG-CG2 3.37Å; L733-V788 HydrophobicContact CD2-CG2 4.32Å; E734-V788 VanDerWaalsContact O-CG1 3.22Å; E734-V788 WeakPolarHBondContact O-CG1 3.34Å; E735-V788 HydrophobicContact CG-CG1 4.38Å; L785-V788 PolarHBondContact O-N 3.47Å
789	T	77.7	Confident	88.9	Confident	16 Å²	16	57 Å²	57	10%	0.098	29%	0.29	C	S	.	.	S	Bend	trans	-125.9	148.8	-170.2	-59.1	0	0	0	0	111.7	W738 L785 C791 M793 A794	W738-T789 HydrophobicContact CH2-CG2 3.67Å; W738-T789 HydrophobicContact CZ2-CG2 3.4Å; W738-T789 WeakPolarHBondContact CZ2-OG1 3.43Å; L785-T789 PolarHBondContact O-N 2.8Å; L785-T789 VanDerWaalsContact O-N 3.1Å; T789-C791 PolarHBondContact O-N 3.49Å; T789-M793 HydrophobicContact CG2-CB 3.79Å; T789-A794 HydrophobicContact CG2-CB 4.47Å
790	N	82.4	Confident	88.9	Confident	117 Å²	117	59 Å²	59	63%	0.626	30%	0.299	S	S	*	.			trans	-52.7	125.7	167.2	-68.8	-72.5	0	0	0	111.2	F792 M793 A794	N790-F792 PolarHBondContact O-N 2.96Å; N790-M793 HydrophobicContact CB-CG 4.42Å; N790-M793 PolarHBondContact O-N 3.32Å; N790-A794 PolarHBondContact O-N 3.28Å
791	C	83	Confident	88.8	Confident	93 Å²	93	58.7 Å²	58.7	63%	0.628	30%	0.298	S	S	*	.	H	α-helix	trans	-45.1	-45.6	-175.7	-175.3	0	0	0	0	113.4	T789 M793 A794 E795	T789-C791 PolarHBondContact O-N 3.49Å; C791-M793 PolarHBondContact O-N 2.89Å; C791-A794 WeakPolarHBondContact O-CB 3.47Å; C791-A794 PolarHBondContact O-N 3.09Å; C791-A794 VanDerWaalsContact O-N 3.17Å; C791-E795 WeakPolarHBondContact O-CG 3.42Å; C791-E795 PolarHBondContact O-N 3.34Å
792	F	85.4	Confident	88.8	Confident	151 Å²	151	62 Å²	62	66%	0.662	31%	0.313	S	S	*	.	H	α-helix	trans	-54.6	-49.2	178.2	-176.7	-88.2	0	0	0	114	N790 A794 E795 E796	N790-F792 PolarHBondContact O-N 2.96Å; F792-A794 VanDerWaalsContact C-N 3.3Å; F792-A794 PolarHBondContact O-N 3.38Å; F792-E795 PolarHBondContact O-N 3.36Å; F792-E796 WeakPolarHBondContact O-CB 3.37Å; F792-E796 PolarHBondContact O-N 3.46Å
793	M	86.3	Confident	88.7	Confident	80 Å²	80	62.1 Å²	62.1	39%	0.394	32%	0.321	S	S	.	.	H	α-helix	trans	-67.3	-33.9	-179.5	-58.6	-55.5	-50.2	0	0	111.5	T789 N790 C791 E796 F797	T789-M793 HydrophobicContact CG2-CB 3.79Å; N790-M793 HydrophobicContact CB-CG 4.42Å; N790-M793 PolarHBondContact O-N 3.32Å; C791-M793 PolarHBondContact O-N 2.89Å; M793-E796 WeakPolarHBondContact CE-OE2 3.48Å; M793-F797 WeakPolarHBondContact O-CB 3.39Å; M793-F797 PolarHBondContact O-N 3.43Å; M793-F797 VanDerWaalsContact O-N 3.09Å
794	A	88.8	Confident	88.6	Confident	5 Å²	5	58.9 Å²	58.9	4%	0.041	31%	0.307	C	S	.	.	H	α-helix	trans	-66.7	-44.6	175.2	0	0	0	0	0	111.4	L785 T789 N790 C791 F792 L798	L785-A794 HydrophobicContact CB-CB 3.87Å; L785-A794 HydrophobicContact CD1-CB 3.83Å; L785-A794 HydrophobicContact CG-CB 4.47Å; T789-A794 HydrophobicContact CG2-CB 4.47Å; N790-A794 PolarHBondContact O-N 3.28Å; C791-A794 WeakPolarHBondContact O-CB 3.47Å; C791-A794 PolarHBondContact O-N 3.09Å; C791-A794 VanDerWaalsContact O-N 3.17Å; F792-A794 VanDerWaalsContact C-N 3.3Å; F792-A794 PolarHBondContact O-N 3.38Å; A794-L798 WeakPolarHBondContact O-CB 3.23Å; A794-L798 WeakPolarHBondContact O-CD1 3.48Å; A794-L798 WeakPolarHBondContact O-CG 3.17Å; A794-L798 PolarHBondContact O-N 3.44Å
795	E	91.3	Very high	88.5	Confident	57 Å²	57	57.9 Å²	57.9	27%	0.266	30%	0.301	S	S	.	.	H	α-helix	trans	-64.6	-41.6	175.8	-63.6	-48.9	116.8	0	0	112.5	R782 C791 F792 L798 T799	R782-E795 IonicContact CZ-OE1 2.99Å; R782-E795 IonicContact CZ-OE2 3.09Å; R782-E795 IonicContact NH1-OE1 2.73Å; R782-E795 PolarHBondContact NH1-OE1 2.95Å; R782-E795 IonicContact NH1-OE2 2.73Å; R782-E795 PolarHBondContact NH1-OE2 3.2Å; R782-E795 IonicContact NH2-OE1 3.54Å; R782-E795 IonicContact NH2-OE2 2.63Å; R782-E795 PolarHBondContact NH2-OE2 3.24Å; C791-E795 WeakPolarHBondContact O-CG 3.42Å; C791-E795 PolarHBondContact O-N 3.34Å; F792-E795 PolarHBondContact O-N 3.36Å; E795-L798 PolarHBondContact O-N 2.93Å; E795-T799 VanDerWaalsContact O-CB 3.28Å; E795-T799 WeakPolarHBondContact O-CB 3.16Å; E795-T799 PolarHBondContact O-N 2.73Å; E795-T799 PolarHBondContact O-OG1 3.06Å
796	E	92.1	Very high	88.3	Confident	106 Å²	106	61.1 Å²	61.1	50%	0.495	32%	0.318	S	S	.	.	H	α-helix	trans	-59.1	-49.5	177	-176.9	170	-140.5	0	0	111.1	F792 M793 T799 E800	F792-E796 WeakPolarHBondContact O-CB 3.37Å; F792-E796 PolarHBondContact O-N 3.46Å; M793-E796 WeakPolarHBondContact CE-OE2 3.48Å; E796-T799 WeakPolarHBondContact O-CB 3.27Å; E796-T799 PolarHBondContact O-N 3.41Å; E796-E800 PolarHBondContact O-N 3.04Å
797	F	92	Very high	88.1	Confident	11 Å²	11	60.1 Å²	60.1	5%	0.048	31%	0.311	C	S	.	.	H	α-helix	trans	-63.4	-43.3	176.8	175.6	-104.5	0	0	0	113.3	W738 V741 F742 M781 L785 M793 T799 E800 I801	W738-F797 HydrophobicContact CE3-CB 4.01Å; W738-F797 HydrophobicContact CE3-CD1 4Å; W738-F797 AromaticContact CE3-CD2 3.66Å; W738-F797 HydrophobicContact CE3-CD2 3.66Å; W738-F797 HydrophobicContact CE3-CE1 4.35Å; W738-F797 HydrophobicContact CE3-CE2 4.04Å; W738-F797 AromaticContact CE3-CG 3.62Å; W738-F797 HydrophobicContact CE3-CG 3.62Å; W738-F797 HydrophobicContact CE3-CZ 4.36Å; W738-F797 HydrophobicContact CZ3-CB 3.88Å; W738-F797 AromaticContact CZ3-CD1 3.63Å; W738-F797 HydrophobicContact CZ3-CD1 3.63Å; W738-F797 HydrophobicContact CZ3-CD2 4.15Å; W738-F797 HydrophobicContact CZ3-CE1 4.12Å; W738-F797 AromaticContact CZ3-CG 3.62Å; W738-F797 HydrophobicContact CZ3-CG 3.62Å; V741-F797 HydrophobicContact CB-CZ 4.16Å; V741-F797 HydrophobicContact CG1-CE2 4.49Å; V741-F797 HydrophobicContact CG1-CZ 3.7Å; F742-F797 HydrophobicContact CB-CE2 4.25Å; M781-F797 HydrophobicContact CE-CE1 4.2Å; L785-F797 HydrophobicContact CD1-CD1 3.97Å; L785-F797 HydrophobicContact CD1-CE1 4.47Å; M793-F797 WeakPolarHBondContact O-CB 3.39Å; M793-F797 PolarHBondContact O-N 3.43Å; M793-F797 VanDerWaalsContact O-N 3.09Å; F797-T799 VanDerWaalsContact C-N 3.3Å; F797-T799 PolarHBondContact O-N 2.95Å; F797-E800 PolarHBondContact O-N 3.13Å; F797-I801 HydrophobicContact CD1-CD1 4.15Å; F797-I801 HydrophobicContact CE1-CD1 3.51Å; F797-I801 HydrophobicContact CE1-CG1 4.48Å; F797-I801 HydrophobicContact CE2-CD1 4.19Å; F797-I801 HydrophobicContact CZ-CD1 3.54Å; F797-I801 HydrophobicContact CZ-CG1 4.37Å; F797-I801 WeakPolarHBondContact O-CG1 3.31Å; F797-I801 PolarHBondContact O-N 3.44Å
798	L	93.7	Very high	87.6	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-62.8	-38.7	175.6	-71.3	168.1	0	0	0	111.6	L778 M781 R782 L785 A794 E795 I801 E802	L778-L798 HydrophobicContact CD2-CB 4.25Å; L778-L798 HydrophobicContact CD2-CD2 3.91Å; L778-L798 WeakPolarHBondContact CD2-O 3.44Å; M781-L798 HydrophobicContact CB-CD2 3.56Å; R782-L798 HydrophobicContact CB-CD1 3.77Å; R782-L798 HydrophobicContact CG-CD1 4.26Å; L785-L798 HydrophobicContact CD1-CG 4.47Å; A794-L798 WeakPolarHBondContact O-CB 3.23Å; A794-L798 WeakPolarHBondContact O-CD1 3.48Å; A794-L798 WeakPolarHBondContact O-CG 3.17Å; A794-L798 PolarHBondContact O-N 3.44Å; E795-L798 PolarHBondContact O-N 2.93Å; L798-I801 PolarHBondContact O-N 2.81Å; L798-E802 PolarHBondContact O-N 3.41Å
799	T	93.6	Very high	86.7	Confident	68 Å²	68	58.1 Å²	58.1	42%	0.417	30%	0.301	S	S	.	.	H	α-helix	trans	-65.5	-37.5	175	-56.3	0	0	0	0	111.3	E795 E796 F797 E802 N803	E795-T799 VanDerWaalsContact O-CB 3.28Å; E795-T799 WeakPolarHBondContact O-CB 3.16Å; E795-T799 PolarHBondContact O-N 2.73Å; E795-T799 PolarHBondContact O-OG1 3.06Å; E796-T799 WeakPolarHBondContact O-CB 3.27Å; E796-T799 PolarHBondContact O-N 3.41Å; F797-T799 VanDerWaalsContact C-N 3.3Å; F797-T799 PolarHBondContact O-N 2.95Å; T799-E802 PolarHBondContact O-N 3.44Å; T799-N803 WeakPolarHBondContact O-CB 3.14Å; T799-N803 PolarHBondContact O-N 3.49Å; T799-N803 PolarHBondContact O-ND2 3.28Å
800	E	92.9	Very high	85.6	Confident	96 Å²	96	63.7 Å²	63.7	45%	0.449	32%	0.324	S	S	.	.	H	α-helix	trans	-66.5	-40.1	175.3	-156.9	-177	-171.6	0	0	111.8	F742 E796 F797 N803 L804	F742-E800 VanDerWaalsContact CE1-CD 3.45Å; F742-E800 HydrophobicContact CE1-CG 4.26Å; F742-E800 WeakPolarHBondContact CE1-OE1 3.42Å; F742-E800 HydrophobicContact CE2-CB 4.26Å; F742-E800 HydrophobicContact CE2-CG 3.73Å; F742-E800 HydrophobicContact CZ-CG 3.51Å; F742-E800 WeakPolarHBondContact CZ-OE1 3.45Å; E796-E800 PolarHBondContact O-N 3.04Å; F797-E800 PolarHBondContact O-N 3.13Å; E800-N803 PolarHBondContact O-N 2.91Å; E800-L804 WeakPolarHBondContact O-CB 3.4Å; E800-L804 PolarHBondContact O-N 2.71Å
801	I	93.1	Very high	84.1	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-64.1	-46	173.5	-67.9	-174.8	0	0	0	111.6	T745 L778 M781 F797 L798 N803 L804 F805	T745-I801 HydrophobicContact CG2-CD1 4.03Å; T745-I801 HydrophobicContact CG2-CG1 4.01Å; T745-I801 HydrophobicContact CG2-CG2 4.44Å; L778-I801 HydrophobicContact CD2-CB 4.39Å; L778-I801 HydrophobicContact CD2-CG2 4.12Å; M781-I801 HydrophobicContact CE-CD1 3.5Å; M781-I801 VanDerWaalsContact CE-CD1 3.5Å; M781-I801 HydrophobicContact SD-CD1 4.16Å; F797-I801 HydrophobicContact CD1-CD1 4.15Å; F797-I801 HydrophobicContact CE1-CD1 3.51Å; F797-I801 HydrophobicContact CE1-CG1 4.48Å; F797-I801 HydrophobicContact CE2-CD1 4.19Å; F797-I801 HydrophobicContact CZ-CD1 3.54Å; F797-I801 HydrophobicContact CZ-CG1 4.37Å; F797-I801 WeakPolarHBondContact O-CG1 3.31Å; F797-I801 PolarHBondContact O-N 3.44Å; L798-I801 PolarHBondContact O-N 2.81Å; I801-N803 VanDerWaalsContact C-N 3.33Å; I801-N803 PolarHBondContact O-N 2.87Å; I801-L804 PolarHBondContact O-N 3.21Å; I801-F805 HydrophobicContact CG2-CD2 3.91Å; I801-F805 HydrophobicContact CG2-CE2 3.81Å; I801-F805 WeakPolarHBondContact O-CD2 3.22Å; I801-F805 PolarHBondContact O-N 2.91Å
802	E	94.1	Very high	82.4	Confident	70 Å²	70	60 Å²	60	33%	0.327	30%	0.302	S	S	.	.	H	α-helix	trans	-57.7	-47.5	177.1	-171.2	174.7	-168.1	0	0	111	L774 L778 L798 T799 L804 F805 L806	L774-E802 HydrophobicContact CD2-CG 4.06Å; L778-E802 HydrophobicContact CD1-CB 3.83Å; L778-E802 HydrophobicContact CD1-CG 3.9Å; L778-E802 HydrophobicContact CD2-CB 4.48Å; L798-E802 PolarHBondContact O-N 3.41Å; T799-E802 PolarHBondContact O-N 3.44Å; E802-L804 VanDerWaalsContact C-N 3.34Å; E802-L804 PolarHBondContact O-N 3.48Å; E802-F805 PolarHBondContact O-N 2.62Å; E802-L806 HydrophobicContact CG-CD1 3.95Å; E802-L806 HydrophobicContact CG-CG 4.45Å; E802-L806 WeakPolarHBondContact O-CB 3.34Å; E802-L806 VanDerWaalsContact O-CG 3.29Å; E802-L806 WeakPolarHBondContact O-CG 3.39Å; E802-L806 PolarHBondContact O-N 2.82Å
803	N	92.4	Very high	80.1	Confident	91 Å²	91	60.8 Å²	60.8	49%	0.487	31%	0.307	S	S	.	.	H	α-helix	trans	-61	-39.6	176.4	-80.6	-65.8	0	0	0	112.8	T799 E800 I801 L806 S807	T799-N803 WeakPolarHBondContact O-CB 3.14Å; T799-N803 PolarHBondContact O-N 3.49Å; T799-N803 PolarHBondContact O-ND2 3.28Å; E800-N803 PolarHBondContact O-N 2.91Å; I801-N803 VanDerWaalsContact C-N 3.33Å; I801-N803 PolarHBondContact O-N 2.87Å; N803-L806 PolarHBondContact O-N 3.11Å; N803-S807 WeakPolarHBondContact O-CB 3.31Å; N803-S807 PolarHBondContact O-N 2.85Å; N803-S807 PolarHBondContact O-OG 3.12Å
804	L	91.4	Very high	77.6	Confident	19 Å²	19	65.2 Å²	65.2	10%	0.099	33%	0.327	C	S	.	.	H	α-helix	trans	-69.1	-32.7	-179.5	-168.8	146.9	0	0	0	112.6	F742 R746 I749 E800 I801 E802 S807 N808	F742-L804 HydrophobicContact CE2-CD1 3.75Å; F742-L804 HydrophobicContact CZ-CD1 3.58Å; R746-L804 HydrophobicContact CB-CD1 4.16Å; R746-L804 HydrophobicContact CG-CD1 4.17Å; I749-L804 HydrophobicContact CB-CD2 4.11Å; I749-L804 HydrophobicContact CD1-CD2 3.57Å; I749-L804 HydrophobicContact CG1-CD2 4.44Å; I749-L804 HydrophobicContact CG2-CD2 4Å; E800-L804 WeakPolarHBondContact O-CB 3.4Å; E800-L804 PolarHBondContact O-N 2.71Å; I801-L804 PolarHBondContact O-N 3.21Å; E802-L804 VanDerWaalsContact C-N 3.34Å; E802-L804 PolarHBondContact O-N 3.48Å; L804-S807 PolarHBondContact O-OG 2.92Å; L804-S807 VanDerWaalsContact O-OG 3.14Å; L804-N808 WeakPolarHBondContact O-CB 3.42Å; L804-N808 PolarHBondContact O-ND2 3.46Å
805	F	89.6	Confident	75	Confident	2 Å²	2	71.8 Å²	71.8	1%	0.009	36%	0.361	C	S	.	.	H	α-helix	trans	-66.9	-51.7	165.8	-80.8	-72.5	0	0	0	111	L589 V593 I749 M761 L774 L777 I801 E802 S807 N808 Y809	L589-F805 HydrophobicContact CD1-CE2 4.14Å; L589-F805 HydrophobicContact CD1-CZ 3.88Å; V593-F805 HydrophobicContact CG1-CE1 4.21Å; V593-F805 HydrophobicContact CG1-CZ 4.08Å; I749-F805 HydrophobicContact CB-CE1 4.43Å; I749-F805 HydrophobicContact CD1-CD1 4.06Å; I749-F805 HydrophobicContact CD1-CD2 3.85Å; I749-F805 HydrophobicContact CD1-CE1 3.72Å; I749-F805 HydrophobicContact CD1-CE2 3.48Å; I749-F805 VanDerWaalsContact CD1-CE2 3.48Å; I749-F805 HydrophobicContact CD1-CG 4.15Å; I749-F805 HydrophobicContact CD1-CZ 3.43Å; I749-F805 VanDerWaalsContact CD1-CZ 3.43Å; I749-F805 HydrophobicContact CG1-CD1 4.22Å; I749-F805 HydrophobicContact CG1-CE1 3.58Å; I749-F805 HydrophobicContact CG1-CE2 4.17Å; I749-F805 HydrophobicContact CG1-CZ 3.57Å; I749-F805 HydrophobicContact CG2-CD1 4.04Å; I749-F805 HydrophobicContact CG2-CE1 4.07Å; M761-F805 HydrophobicContact CE-CE1 3.91Å; M761-F805 HydrophobicContact CE-CZ 3.93Å; M761-F805 HydrophobicContact CG-CD1 3.93Å; M761-F805 HydrophobicContact CG-CE1 3.78Å; M761-F805 HydrophobicContact CG-CZ 4.45Å; M761-F805 HydrophobicContact SD-CE1 4.34Å; M761-F805 HydrophobicContact SD-CZ 4.45Å; L774-F805 HydrophobicContact CD1-CB 4.11Å; L774-F805 HydrophobicContact CD1-CD2 3.33Å; L774-F805 HydrophobicContact CD1-CE2 3.8Å; L774-F805 HydrophobicContact CD1-CG 3.84Å; L774-F805 HydrophobicContact CD2-CB 4.03Å; L777-F805 HydrophobicContact CD2-CE2 3.6Å; L777-F805 HydrophobicContact CD2-CZ 3.74Å; I801-F805 HydrophobicContact CG2-CD2 3.91Å; I801-F805 HydrophobicContact CG2-CE2 3.81Å; I801-F805 WeakPolarHBondContact O-CD2 3.22Å; I801-F805 PolarHBondContact O-N 2.91Å; E802-F805 PolarHBondContact O-N 2.62Å; F805-S807 VanDerWaalsContact C-N 3.34Å; F805-S807 PolarHBondContact O-N 3.04Å; F805-N808 PolarHBondContact O-N 2.89Å; F805-N808 VanDerWaalsContact O-N 3.14Å; F805-Y809 HydrophobicContact CB-CE2 4.46Å; F805-Y809 AromaticContact CD1-CE2 3.94Å; F805-Y809 HydrophobicContact CD1-CE2 3.94Å; F805-Y809 WeakPolarHBondContact O-CD2 3.29Å; F805-Y809 PolarHBondContact O-N 3.38Å; F805-Y809 VanDerWaalsContact O-N 3.11Å
806	L	87.1	Confident	72.3	Confident	67 Å²	67	71.6 Å²	71.6	35%	0.351	38%	0.375	S	S	.	.	H	α-helix	trans	-61.4	-36.5	-175.2	-70.7	173.9	0	0	0	113.2	E802 N803 K810	E802-L806 HydrophobicContact CG-CD1 3.95Å; E802-L806 HydrophobicContact CG-CG 4.45Å; E802-L806 WeakPolarHBondContact O-CB 3.34Å; E802-L806 VanDerWaalsContact O-CG 3.29Å; E802-L806 WeakPolarHBondContact O-CG 3.39Å; E802-L806 PolarHBondContact O-N 2.82Å; N803-L806 PolarHBondContact O-N 3.11Å; L806-K810 WeakPolarHBondContact O-CB 3.33Å; L806-K810 VanDerWaalsContact O-CG 3.23Å; L806-K810 WeakPolarHBondContact O-CG 3.44Å; L806-K810 PolarHBondContact O-N 3.09Å; L806-K810 VanDerWaalsContact O-N 3.1Å
807	S	84	Confident	69.5	Low	62 Å²	62	73.2 Å²	73.2	43%	0.434	39%	0.391	S	S	.	.	H	α-helix	trans	-63.9	-44.6	174.5	60.6	0	0	0	0	111.7	N803 L804 F805 Y809 K810 S811	N803-S807 WeakPolarHBondContact O-CB 3.31Å; N803-S807 PolarHBondContact O-N 2.85Å; N803-S807 PolarHBondContact O-OG 3.12Å; L804-S807 PolarHBondContact O-OG 2.92Å; L804-S807 VanDerWaalsContact O-OG 3.14Å; F805-S807 VanDerWaalsContact C-N 3.34Å; F805-S807 PolarHBondContact O-N 3.04Å; S807-Y809 VanDerWaalsContact C-N 3.33Å; S807-Y809 PolarHBondContact O-N 2.83Å; S807-K810 PolarHBondContact O-N 2.63Å; S807-S811 PolarHBondContact O-N 2.9Å
808	N	68.5	Low	66.4	Low	38 Å²	38	79.3 Å²	79.3	20%	0.203	43%	0.43	C	S	.	.	H	α-helix	trans	-77.2	-17.1	-172.7	-69.1	1.5	0	0	0	113.6	L804 F805 S811	L804-N808 WeakPolarHBondContact O-CB 3.42Å; L804-N808 PolarHBondContact O-ND2 3.46Å; F805-N808 PolarHBondContact O-N 2.89Å; F805-N808 VanDerWaalsContact O-N 3.14Å; N808-S811 PolarHBondContact O-OG 3.21Å
809	Y	60.9	Low	63.5	Low	67 Å²	67	88.2 Å²	88.2	26%	0.263	47%	0.471	S	S	.	.	H	α-helix	trans	-90.2	-36.5	167.9	-72.4	-69	0	0	0	113	V759 M761 F805 S807 S811 N812	V759-Y809 PolarHBondContact O-OH 2.82Å; M761-Y809 HydrophobicContact CB-CE2 3.68Å; M761-Y809 HydrophobicContact CG-CE2 4.01Å; M761-Y809 WeakPolarHBondContact CG-OH 3.46Å; F805-Y809 HydrophobicContact CB-CE2 4.46Å; F805-Y809 AromaticContact CD1-CE2 3.94Å; F805-Y809 HydrophobicContact CD1-CE2 3.94Å; F805-Y809 WeakPolarHBondContact O-CD2 3.29Å; F805-Y809 PolarHBondContact O-N 3.38Å; F805-Y809 VanDerWaalsContact O-N 3.11Å; S807-Y809 VanDerWaalsContact C-N 3.33Å; S807-Y809 PolarHBondContact O-N 2.83Å; Y809-S811 VanDerWaalsContact C-N 3.31Å; Y809-S811 PolarHBondContact O-N 3.32Å; Y809-N812 WeakPolarHBondContact O-CB 3.26Å; Y809-N812 PolarHBondContact O-N 3.09Å; Y809-N812 VanDerWaalsContact O-N 3.09Å
810	K	55.1	Low	60.6	Low	133 Å²	133	93 Å²	93	58%	0.578	49%	0.489	S	S	*	.	H	α-helix	trans	-60.7	-38	178.7	-79.8	172.6	-178.8	176.4	0	112.8	L806 S807 N812 Q813	L806-K810 WeakPolarHBondContact O-CB 3.33Å; L806-K810 VanDerWaalsContact O-CG 3.23Å; L806-K810 WeakPolarHBondContact O-CG 3.44Å; L806-K810 PolarHBondContact O-N 3.09Å; L806-K810 VanDerWaalsContact O-N 3.1Å; S807-K810 PolarHBondContact O-N 2.63Å; K810-N812 PolarHBondContact O-N 2.9Å; K810-Q813 PolarHBondContact O-N 2.89Å
811	S	50.1	Low	57.5	Low	46 Å²	46	94.9 Å²	94.9	32%	0.322	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-18.5	175.2	63.7	0	0	0	0	114.5	S807 N808 Y809 N815	S807-S811 PolarHBondContact O-N 2.9Å; N808-S811 PolarHBondContact O-OG 3.21Å; Y809-S811 VanDerWaalsContact C-N 3.31Å; Y809-S811 PolarHBondContact O-N 3.32Å; S811-N815 PolarHBondContact O-ND2 3.27Å
812	N	47.7	Very low	54.3	Low	87 Å²	87	101.1 Å²	101.1	47%	0.465	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-11	-178.3	-63.3	0.4	0	0	0	113.3	R753 Y809 K810	R753-N812 PolarHBondContact NH1-OD1 3.26Å; Y809-N812 WeakPolarHBondContact O-CB 3.26Å; Y809-N812 PolarHBondContact O-N 3.09Å; Y809-N812 VanDerWaalsContact O-N 3.09Å; K810-N812 PolarHBondContact O-N 2.9Å
813	Q	37.3	Very low	51.1	Low	167 Å²	167	103.9 Å²	103.9	78%	0.78	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-37.3	177	-69.8	-170.5	-7.7	0	0	112.8	K810 N815 G816	K810-Q813 PolarHBondContact O-N 2.89Å; Q813-N815 VanDerWaalsContact C-N 3.27Å; Q813-N815 PolarHBondContact O-N 3.03Å; Q813-G816 PolarHBondContact O-N 3.05Å
814	E	34.2	Very low	48.5	Very low	174 Å²	174	109.5 Å²	109.5	81%	0.813	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-12.1	-177	-64.4	-176.2	146.6	0	0	114.1	G816	E814-G816 VanDerWaalsContact C-N 3.26Å; E814-G816 PolarHBondContact O-N 3.37Å
815	N	33.9	Very low	45.5	Very low	142 Å²	142	117.5 Å²	117.5	76%	0.759	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	11.2	176.5	-77.2	-68.5	0	0	0	113.8	S811 Q813	S811-N815 PolarHBondContact O-ND2 3.27Å; Q813-N815 VanDerWaalsContact C-N 3.27Å; Q813-N815 PolarHBondContact O-N 3.03Å
816	G	34.2	Very low	42.6	Very low	53 Å²	53	124.3 Å²	124.3	55%	0.546	66%	0.659	S	S	.	*	S	Bend	trans	-88.2	123.9	167.4	0	0	0	0	0	111.6	Q813 E814	Q813-G816 PolarHBondContact O-N 3.05Å; E814-G816 VanDerWaalsContact C-N 3.26Å; E814-G816 PolarHBondContact O-N 3.37Å
817	V	32.9	Very low	39.8	Very low	140 Å²	140	129.1 Å²	129.1	85%	0.848	68%	0.684	S	S	*	*	S	Bend	trans	77.5	80.6	178	-166	0	0	0	0	115.5
818	T	28.2	Very low	37	Very low	139 Å²	139	133.9 Å²	133.9	85%	0.853	70%	0.702	S	S	*	*				-168.6	126.2	116.7	14.2	0	0	0	0	111.1
819	E	32.1	Very low	35	Very low	192 Å²	192	142.4 Å²	142.4	90%	0.897	73%	0.732	S	S	*	*			trans	-93.8	124.5	160.6	-69.6	-171.9	123.9	0	0	108.6
820	E	32.9	Very low	33.6	Very low	167 Å²	167	144.7 Å²	144.7	78%	0.78	76%	0.755	S	S	*	*				-175.9	131	116.6	-99.8	-159.5	-161.4	0	0	113
821	N	27.9	Very low	32.2	Very low	136 Å²	136	147.2 Å²	147.2	73%	0.727	77%	0.769	S	S	*	*			trans	46	98.1	142.9	-59.9	-46.9	0	0	0	120.7
822	C	25.4	Very low	31.1	Very low	132 Å²	132	150.2 Å²	150.2	89%	0.892	79%	0.789	S	S	*	*				-146.4	167.8	129.4	-139.2	0	0	0	0	114.1
823	T	28.2	Very low	30.2	Very low	128 Å²	128	151.7 Å²	151.7	79%	0.785	81%	0.805	S	S	*	*			trans	-67.9	153	-160.4	42.7	0	0	0	0	116.6
824	K	36.8	Very low	29.7	Very low	208 Å²	208	151.4 Å²	151.4	90%	0.904	80%	0.803	S	S	*	*			trans	-59.5	134.1	161	-58.7	172.2	-178.8	175	0	110.6
825	E	27.5	Very low	29.3	Very low	188 Å²	188	149.3 Å²	149.3	88%	0.879	81%	0.806	S	S	*	*			trans	-149.1	164.6	146	-147.3	158.5	-141.3	0	0	110.9
826	L	30.6	Very low	29.1	Very low	144 Å²	144	150 Å²	150	75%	0.754	81%	0.805	S	S	*	*			trans	-85.1	141.9	-172.6	-82.2	66	0	0	0	111.7
827	L	26.9	Very low	28.8	Very low	169 Å²	169	153.4 Å²	153.4	89%	0.885	82%	0.817	S	S	*	*			trans	-129.1	114	142.7	-79.7	178.3	0	0	0	110.3
828	M	25.4	Very low	28.5	Very low	162 Å²	162	158.5 Å²	158.5	80%	0.798	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-73.8	132.2	162.7	-71.3	163.8	51.2	0	0	108.6
829	Y	26.6	Very low	28.4	Very low	217 Å²	217	156.7 Å²	156.7	85%	0.851	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-75.3	129.3	161.7	-85.3	-85.8	0	0	0	109.5
830	P	30.7	Very low	28.2	Very low	114 Å²	114	154.5 Å²	154.5	74%	0.74	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-79	125.4	-178.4	30.2	-33.3	0	0	0	111.4	C832	P830-C832 PolarHBondContact O-N 3.26Å; P830-C832 VanDerWaalsContact O-N 3.11Å
831	H	27.6	Very low	28	Very low	186 Å²	186	152.8 Å²	152.8	86%	0.861	82%	0.821	S	S	*	*			trans	-67.1	105.8	161.3	-81.1	-85	0	0	0	109.1	C833	H831-C833 PolarHBondContact O-N 2.8Å
832	C	26.3	Very low	28	Very low	110 Å²	110	155.6 Å²	155.6	74%	0.743	83%	0.83	S	S	*	*			trans	-82.6	96.6	170.3	-164.4	0	0	0	0	109.8	P830	P830-C832 PolarHBondContact O-N 3.26Å; P830-C832 VanDerWaalsContact O-N 3.11Å
833	C	27.9	Very low	28.1	Very low	118 Å²	118	155.4 Å²	155.4	80%	0.797	82%	0.82	S	S	*	*			trans	-114.9	116.3	160.9	-73.2	0	0	0	0	107.4	H831	H831-C833 PolarHBondContact O-N 2.8Å
834	H	28.1	Very low	28	Very low	161 Å²	161	156.3 Å²	156.3	75%	0.745	82%	0.82	S	S	*	*			trans	-113.3	104.9	-176.9	-120	60.1	0	0	0	110.3
835	C	26.2	Very low	27.6	Very low	130 Å²	130	149.5 Å²	149.5	88%	0.878	81%	0.809	S	S	*	*			trans	-154.9	123.2	151.5	-94.7	0	0	0	0	107.6
836	Q	27.9	Very low	27.7	Very low	157 Å²	157	145.5 Å²	145.5	73%	0.734	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-93.7	155.1	-179.6	-57.3	178.9	-70.5	0	0	110.8
837	P	28.6	Very low	27.6	Very low	124 Å²	124	150.6 Å²	150.6	81%	0.805	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-93.2	137.8	142.8	-9.7	28.2	0	0	0	110.1
838	W	25.8	Very low	27.8	Very low	247 Å²	247	146.5 Å²	146.5	94%	0.936	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-72	138.1	167.7	-74.3	-62.3	0	0	0	110.7
839	A	27.1	Very low	28.1	Very low	101 Å²	101	146.3 Å²	146.3	84%	0.835	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-94.9	132.3	167.4	0	0	0	0	0	110.2
840	T	27.9	Very low	28.2	Very low	145 Å²	145	144 Å²	144	89%	0.89	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-79	150.8	174.1	42.5	0	0	0	0	112.1
841	T	28.2	Very low	28.4	Very low	132 Å²	132	146 Å²	146	81%	0.81	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-87.2	134.3	-177.8	48.5	0	0	0	0	113.6
842	E	27.7	Very low	28.5	Very low	194 Å²	194	144.4 Å²	144.4	91%	0.907	80%	0.796	S	S	*	*			trans	-179.9	150	154.9	-100.5	166	-152.6	0	0	106.7
843	D	27.5	Very low	28.7	Very low	129 Å²	129	150.2 Å²	150.2	69%	0.69	80%	0.802	S	S	*	*			cis	-162.6	166	-19.4	-174.4	24	0	0	0	109.2
844	N	27.7	Very low	28.8	Very low	146 Å²	146	147.8 Å²	147.8	78%	0.781	80%	0.797	S	S	*	*			trans	67.2	151.3	171.9	-58.8	-79.2	0	0	0	118.4
845	G	27.5	Very low	28.9	Very low	65 Å²	65	145.8 Å²	145.8	67%	0.67	80%	0.801	S	S	*	*			cis	162.1	128	-11	0	0	0	0	0	114.6
846	A	29.4	Very low	29.1	Very low	105 Å²	105	147.1 Å²	147.1	87%	0.868	80%	0.799	S	S	*	*			trans	62	148.8	173.5	0	0	0	0	0	116.9
847	R	28.3	Very low	29.3	Very low	251 Å²	251	145.3 Å²	145.3	95%	0.947	79%	0.79	S	S	*	*			cis	-156.8	177.5	42.8	-142.4	172.9	-170.1	167.6	2.5	111.6
848	A	32.1	Very low	29.4	Very low	82 Å²	82	147.3 Å²	147.3	68%	0.678	79%	0.793	S	S	*	*			trans	-137	168.4	-173.5	0	0	0	0	0	114.4
849	L	31.3	Very low	29.6	Very low	158 Å²	158	145.2 Å²	145.2	83%	0.827	79%	0.785	S	S	*	*			trans	72.8	144.1	175.9	-59.7	158.4	0	0	0	114
850	E	29.1	Very low	29.7	Very low	168 Å²	168	143.8 Å²	143.8	79%	0.785	78%	0.781	S	S	*	*			cis	-136.7	151.2	31.1	-72.1	-175	98.6	0	0	113.2
851	K	33.5	Very low	30.6	Very low	156 Å²	156	143 Å²	143	68%	0.678	78%	0.778	S	S	*	*				41.4	141.1	98.4	-53.8	175.9	176.8	170.2	0	115.6
852	H	31.6	Very low	30.7	Very low	153 Å²	153	145.8 Å²	145.8	71%	0.708	78%	0.784	S	S	*	*			cis	-154.4	-174.2	30.5	-124.8	-62.4	0	0	0	114
853	R	29.6	Very low	31	Very low	233 Å²	233	142.8 Å²	142.8	88%	0.879	78%	0.779	S	S	*	*			trans	-32.6	158.8	170.2	-65.4	164.2	172.2	177.7	-4.9	116.6
854	G	29.2	Very low	31.2	Very low	66 Å²	66	144.1 Å²	144.1	68%	0.68	78%	0.781	S	S	*	*			cis	138.6	166.1	2.8	0	0	0	0	0	113.2
855	S	30.7	Very low	31.4	Very low	120 Å²	120	146.3 Å²	146.3	84%	0.839	79%	0.787	S	S	*	*			trans	73.4	151.9	178.3	-59.1	0	0	0	0	116.7
856	L	31.5	Very low	31.7	Very low	158 Å²	158	148.3 Å²	148.3	83%	0.827	79%	0.786	S	S	*	*			cis	-145.9	176.1	-1.4	-149.5	79.8	0	0	0	111.9
857	E	30.6	Very low	31.9	Very low	118 Å²	118	152.7 Å²	152.7	55%	0.551	79%	0.788	S	S	*	*			trans	-77.9	165.7	-179.7	-55	169.4	83.5	0	0	115.9	R859	E857-R859 IonicContact OE1-CZ 2.63Å; E857-R859 IonicContact OE1-NE 2.64Å; E857-R859 PolarHBondContact OE1-NE 2.5Å; E857-R859 IonicContact OE1-NH2 2.8Å; E857-R859 PolarHBondContact OE1-NH2 2.83Å; E857-R859 IonicContact OE2-NH2 2.78Å
858	L	31.7	Very low	32.1	Very low	167 Å²	167	148 Å²	148	87%	0.874	78%	0.782	S	S	*	*				-174.5	104.9	127.4	-95.6	163.6	0	0	0	107.1
859	R	30	Very low	32.2	Very low	202 Å²	202	148.6 Å²	148.6	76%	0.762	79%	0.787	S	S	*	*				44.2	127.1	80.5	-58.8	-168.6	-166.8	-148	5.4	114.2	E857	E857-R859 IonicContact OE1-CZ 2.63Å; E857-R859 IonicContact OE1-NE 2.64Å; E857-R859 PolarHBondContact OE1-NE 2.5Å; E857-R859 IonicContact OE1-NH2 2.8Å; E857-R859 PolarHBondContact OE1-NH2 2.83Å; E857-R859 IonicContact OE2-NH2 2.78Å
860	G	29.2	Very low	32.3	Very low	72 Å²	72	145.1 Å²	145.1	74%	0.742	79%	0.789	S	S	*	*			cis	171.5	176.8	-4.2	0	0	0	0	0	112.4
861	P	45.8	Very low	32.4	Very low	129 Å²	129	141.7 Å²	141.7	84%	0.838	78%	0.784	S	S	*	*			trans	-110	131.5	-178.2	36.5	-27.3	0	0	0	114.1
862	M	31	Very low	32.6	Very low	189 Å²	189	141 Å²	141	93%	0.931	78%	0.783	S	S	*	*			trans	-179.4	130.3	151.9	-112.8	-175.9	177.9	0	0	112.5
863	T	33.1	Very low	33	Very low	132 Å²	132	143.3 Å²	143.3	81%	0.81	79%	0.785	S	S	*	*				178.8	163.2	123.6	36.3	0	0	0	0	110.1
864	Q	32.9	Very low	33.3	Very low	156 Å²	156	137.9 Å²	137.9	73%	0.729	77%	0.774	S	S	*	*			cis	-174.7	119.4	-45.6	174.3	171.5	7.5	0	0	109.3	V866	Q864-V866 HydrophobicContact CG-CG2 4.26Å
865	E	31.8	Very low	33.9	Very low	193 Å²	193	139.6 Å²	139.6	90%	0.902	77%	0.771	S	S	*	*			trans	-172.8	112.2	154.3	-109	167.9	-160	0	0	106.1
866	V	34.4	Very low	34.4	Very low	107 Å²	107	139.6 Å²	139.6	65%	0.648	77%	0.77	S	S	*	*			cis	99.9	107.5	45.8	167.8	0	0	0	0	111.7	Q864	Q864-V866 HydrophobicContact CG-CG2 4.26Å
867	Q	32.9	Very low	35	Very low	196 Å²	196	143.8 Å²	143.8	92%	0.916	79%	0.792	S	S	*	*			trans	-158	141.2	132.3	-111.7	172.4	25.9	0	0	112
868	D	33	Very low	35.2	Very low	154 Å²	154	145.1 Å²	145.1	82%	0.824	80%	0.804	S	S	*	*			trans	-83.7	167.1	178	-88.4	-56	0	0	0	111.9
869	A	34.3	Very low	35.4	Very low	94 Å²	94	143.9 Å²	143.9	78%	0.777	80%	0.8	S	S	*	*			cis	-160.5	160.3	-10.4	0	0	0	0	0	109.7
870	G	31.5	Very low	35.7	Very low	84 Å²	84	140.7 Å²	140.7	87%	0.866	80%	0.802	S	S	*	*			trans	-171.6	119	172.3	0	0	0	0	0	112.2
871	S	32.8	Very low	36	Very low	96 Å²	96	144.7 Å²	144.7	67%	0.671	81%	0.805	S	S	*	*			trans	-109.8	124.8	-162.7	-175.9	0	0	0	0	114.3
872	Q	38	Very low	35.4	Very low	142 Å²	142	145.7 Å²	145.7	66%	0.664	80%	0.803	S	S	*	*			trans	66.2	154	155.2	-65.7	168.1	34.6	0	0	115.1
873	R	38	Very low	35.7	Very low	202 Å²	202	142.8 Å²	142.8	76%	0.762	80%	0.795	S	S	*	*			cis	-164.8	169.7	5.9	-123.8	173.2	-168	138.8	5.7	107.3
874	N	37.5	Very low	35.9	Very low	119 Å²	119	143.6 Å²	143.6	64%	0.636	79%	0.794	S	S	*	*			cis	-159.5	168.6	1.7	-158.6	37.4	0	0	0	110.5
875	T	41.9	Very low	36.1	Very low	102 Å²	102	142.6 Å²	142.6	63%	0.626	80%	0.799	S	S	*	*			trans	35.2	120.7	150.6	47.7	0	0	0	0	123.2
876	C	39.7	Very low	36.5	Very low	119 Å²	119	138.4 Å²	138.4	80%	0.804	79%	0.79	S	S	*	*				39.8	122.4	125.2	-52.9	0	0	0	0	120.8
877	L	44.1	Very low	36.7	Very low	246 Å²	246	141.3 Å²	141.3	100%	1.288	80%	0.803	S	S	*	*				-142.8	0	84	-107.8	165.9	0	0	0	110.9

Retrieved 877 of 877 residues in 1078.3 ms (Link to these results)

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