A0A087Y5S2_POEFO Loading...

Mitogen-activated protein kinase kinase kinase 14b

AlphaFold DB , UniProt , Accession A0A087Y5S2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 844 aa.

						>A0A087Y5S2_POEFO|A0A087Y5S2
MFPPVFRSFSEDAALISDTEYEDLDEVFHQHLHRKQRRKTRGRPRGQEEGGEPPVIQGLWVQEVDWLKTTGIIPPPPQFTDSCRLPDSRMSGQTDDLSGSDDRGGSDCDCESAFSHESESESSRCSESDQPGLESNISDPTSDLMHVSGFRSNWDSDSSEFLESLQEISDLSQATFGFNDSDSEFDELKGRVMQIPKLFLSTFINNSIKQILDTWTTTKPANEGLIFHHLLHPNSFQYREGEEYFVLHHIQNGSYGDVFCVRDKSSGFKCAAKRIPLSHFSSEEVKTWSALNSPRVVELFGAVRDGLNVVLFMDLKPACLAQLLKEITCLPEDLALHYLHQTLGALEHLHHKKVVHLDVKADNVLLSADCRDTFLCDFGLSEMLDDNRRSTKAFRGAAFAGTETHMAPEVARGDQVCSKADVWSSCCMLLHMLNGCQPWTRYYSHPLCLQIVNEPPPLWEVPSNCNNFTANVFRAGLRKDPDRRASAKGLRRKATKALRAVGGLSSSSIKAACEKLHHGQWEDRLFFPKEPSSSSSSSSSSSSSSQAISSDPAVFWVSPWRTVAVDEDTADRTGDIAETDLRTGEWNSHPKSLQDDYDEELETGSESEVDIYMAVEEECIQEKWLRVDKDYEGDWEEEDEEWDSSGSTEYLRTLRGLFPLLRRGLQADEAPWGSEEELEYLRDDVPVGTTVQTPSPEPRDEPPSCFSCSDTSHIDEDSEHSSDDLSSGVFSSCNSHSGGQLVWIPSADQISPRCFEGVDIWIEDLQGKCFRIKERREVKVGHVAIGISDQISAKTFTLETLDRKTVSFEEEISESGSWFRCVPAPDRCQRWSWRVQDGKLELRE
					

Structure Viewer

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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	28.2	Very low	35.2	Very low	249 Å²	249	156.7 Å²	156.7	100%	1.227	80%	0.796	S	S	*	*				0	129.7	0	-164.5	168	-176.8	0	0	107.1
2	F	26.2	Very low	34.8	Very low	200 Å²	200	156.8 Å²	156.8	88%	0.877	80%	0.8	S	S	*	*			trans	-82.2	173.5	-179.2	-80.4	-76.8	0	0	0	112.1
3	P	64.5	Low	34.5	Very low	109 Å²	109	151.3 Å²	151.3	71%	0.708	79%	0.793	S	S	*	*			cis	-109.6	-87.3	-48.4	25	-7.6	0	0	0	112.2
4	P	53.8	Low	34.2	Very low	105 Å²	105	147.2 Å²	147.2	68%	0.682	79%	0.792	S	S	*	*			cis	-132.7	139.3	-18	24.2	0.9	0	0	0	118.3
5	V	35	Very low	34	Very low	114 Å²	114	148.5 Å²	148.5	69%	0.691	80%	0.797	S	S	*	*				84.9	113.2	127.3	166.4	0	0	0	0	124
6	F	30.7	Very low	33.8	Very low	177 Å²	177	148.4 Å²	148.4	78%	0.776	79%	0.794	S	S	*	*			trans	61.8	164.3	140.7	-69.8	-124	0	0	0	118.5
7	R	30	Very low	33.6	Very low	221 Å²	221	146.1 Å²	146.1	83%	0.834	79%	0.793	S	S	*	*			cis	-152.4	160.2	16.4	-152.3	158.2	-151	169.7	5.8	112.8
8	S	27.9	Very low	33.4	Very low	88 Å²	88	145.9 Å²	145.9	62%	0.615	79%	0.791	S	S	*	*			trans	-90.1	163.9	175.2	52.6	0	0	0	0	114.1
9	F	30.9	Very low	33.3	Very low	192 Å²	192	144.3 Å²	144.3	84%	0.842	79%	0.786	S	S	*	*				175.4	154.6	114	-107.5	-75	0	0	0	116.2
10	S	28.5	Very low	33.3	Very low	108 Å²	108	145.8 Å²	145.8	76%	0.755	79%	0.788	S	S	*	*			trans	101.3	121.1	153.4	-150.4	0	0	0	0	119.8
11	E	31.7	Very low	33.2	Very low	161 Å²	161	149.9 Å²	149.9	75%	0.752	79%	0.794	S	S	*	*			trans	-71.6	172.1	157.4	-59.4	117	129.8	0	0	110.7
12	D	30.1	Very low	33.3	Very low	158 Å²	158	146.2 Å²	146.2	85%	0.845	77%	0.774	S	S	*	*				-175.4	168.9	60.8	-146.4	-18.4	0	0	0	115.6
13	A	30.8	Very low	33.4	Very low	85 Å²	85	143.7 Å²	143.7	70%	0.702	77%	0.769	S	S	*	*			trans	60.2	90.8	153.4	0	0	0	0	0	123.5
14	A	31.1	Very low	31.8	Very low	94 Å²	94	144.8 Å²	144.8	78%	0.777	77%	0.768	S	S	*	*			trans	6.5	144.7	137.1	0	0	0	0	0	123.5
15	L	30.5	Very low	30.5	Very low	166 Å²	166	146.9 Å²	146.9	87%	0.869	77%	0.774	S	S	*	*				-170.2	145.5	113.1	-102.4	167.7	0	0	0	115.8
16	I	31.1	Very low	30.1	Very low	147 Å²	147	149.5 Å²	149.5	75%	0.754	78%	0.779	S	S	*	*			trans	-50.5	136.7	-178.1	-62.8	152.7	0	0	0	117.1
17	S	30.3	Very low	30	Very low	110 Å²	110	146 Å²	146	77%	0.769	77%	0.771	S	S	*	*				-171.1	136.2	122.2	62.3	0	0	0	0	113.8
18	D	30.9	Very low	29.8	Very low	143 Å²	143	143.5 Å²	143.5	77%	0.765	77%	0.767	S	S	*	*			trans	-62.3	166.4	173.8	-39	-75.5	0	0	0	112.1
19	T	30.9	Very low	29.7	Very low	114 Å²	114	145.8 Å²	145.8	70%	0.699	77%	0.768	S	S	*	*			cis	-154.5	155	33.1	36.3	0	0	0	0	114
20	E	32.7	Very low	29.5	Very low	175 Å²	175	143.3 Å²	143.3	82%	0.818	76%	0.759	S	S	*	*			trans	50	114	141.7	-63	174.2	168.3	0	0	120.9
21	Y	31	Very low	29.4	Very low	232 Å²	232	145.1 Å²	145.1	91%	0.91	76%	0.755	S	S	*	*			trans	-145	167.7	144	-117.4	-83.7	0	0	0	109.8
22	E	31.2	Very low	29.1	Very low	172 Å²	172	143.7 Å²	143.7	80%	0.804	75%	0.751	S	S	*	*			trans	-82.5	166	-169.7	-60.5	172.2	120	0	0	114.9
23	D	29.2	Very low	28.9	Very low	147 Å²	147	142.6 Å²	142.6	79%	0.786	74%	0.741	S	S	*	*			trans	93.1	155.5	138.1	-134.9	0.1	0	0	0	121.7
24	L	29.2	Very low	28.6	Very low	132 Å²	132	147.2 Å²	147.2	69%	0.691	74%	0.74	S	S	*	*			trans	70.7	98.5	164.4	-59.6	175.7	0	0	0	121.2
25	D	27.3	Very low	28.3	Very low	148 Å²	148	151.1 Å²	151.1	79%	0.791	74%	0.74	S	S	*	*				76.1	155.7	115.5	-93.1	-35.8	0	0	0	125.5
26	E	27.3	Very low	28.1	Very low	170 Å²	170	150.8 Å²	150.8	79%	0.794	73%	0.734	S	S	*	*			trans	72.4	125.4	155.9	-77.2	-148	137.8	0	0	124
27	V	27.3	Very low	27.8	Very low	102 Å²	102	153.5 Å²	153.5	62%	0.618	74%	0.735	S	S	*	*				83.5	105	127.2	170.7	0	0	0	0	121.3
28	F	25.8	Very low	27.8	Very low	169 Å²	169	157.5 Å²	157.5	74%	0.741	73%	0.733	S	S	*	*			trans	90.7	131.8	134.5	-87.4	-140.3	0	0	0	123.7
29	H	26.5	Very low	27.8	Very low	137 Å²	137	158.8 Å²	158.8	63%	0.634	73%	0.731	S	S	*	*			trans	83.6	103.7	136.2	-81.7	8.9	0	0	0	122.6
30	Q	26.4	Very low	27.6	Very low	140 Å²	140	158.6 Å²	158.6	65%	0.654	73%	0.73	S	S	*	*				98.9	150	115.2	-76.9	-169.4	34.8	0	0	122.3
31	H	26.2	Very low	27.4	Very low	145 Å²	145	161.8 Å²	161.8	67%	0.671	74%	0.735	S	S	*	*			trans	74.4	104.4	155.3	-86.5	87.8	0	0	0	121.3
32	L	25.6	Very low	27.2	Very low	131 Å²	131	154.3 Å²	154.3	69%	0.686	73%	0.728	S	S	*	*			trans	15.9	132.1	133.3	-69.6	72.1	0	0	0	116.5
33	H	25.1	Very low	26.9	Very low	136 Å²	136	157.3 Å²	157.3	63%	0.63	73%	0.732	S	S	*	*				177	143.3	60.8	-129.7	-6.8	0	0	0	113.2
34	R	25	Very low	27.3	Very low	182 Å²	182	155.7 Å²	155.7	69%	0.687	73%	0.73	S	S	*	*			trans	56.8	139.8	140.3	-84.2	170.9	159.9	163.6	-5.5	122.5
35	K	24.6	Very low	27.3	Very low	176 Å²	176	159 Å²	159	77%	0.765	73%	0.733	S	S	*	*			trans	73.8	143.7	151.2	-68	161.8	-175.7	175.5	0	115.3
36	Q	25.9	Very low	27.3	Very low	159 Å²	159	155.7 Å²	155.7	74%	0.743	73%	0.734	S	S	*	*			cis	-136.8	148.7	0	-97.4	159.5	68.1	0	0	107.8
37	R	26.1	Very low	27.4	Very low	204 Å²	204	155.1 Å²	155.1	77%	0.77	73%	0.731	S	S	*	*			cis	82.9	130	42.6	-162.1	-159.5	-173.3	-176.8	7.3	114.2
38	R	28.8	Very low	27.5	Very low	193 Å²	193	159.5 Å²	159.5	73%	0.728	75%	0.745	S	S	*	*			trans	93.2	144.2	173.7	-63.4	179	163.6	168.3	-3.7	113.3
39	K	31.4	Very low	27.7	Very low	170 Å²	170	160.5 Å²	160.5	74%	0.739	75%	0.752	S	S	*	*			cis	-163.6	176	7.3	-119.9	175.8	173.2	-174.5	0	106.4
40	T	27.6	Very low	27.8	Very low	110 Å²	110	157.8 Å²	157.8	68%	0.675	76%	0.761	S	S	*	*			cis	-167.4	163.4	4.3	2.6	0	0	0	0	106.2
41	R	28.6	Very low	27.9	Very low	242 Å²	242	154.3 Å²	154.3	91%	0.913	76%	0.763	S	S	*	*			cis	-170	143.4	-15.8	-143.5	179.7	-173.2	171.8	-2.9	107.8
42	G	25.5	Very low	28.1	Very low	75 Å²	75	156.4 Å²	156.4	77%	0.773	77%	0.773	S	S	*	*			trans	179.3	124.7	168.5	0	0	0	0	0	113.5
43	R	24.7	Very low	28.3	Very low	235 Å²	235	155.4 Å²	155.4	89%	0.887	77%	0.774	S	S	*	*			trans	-172.4	158.5	177.1	-114.5	-171	177.4	-168.8	-1	107.3
44	P	39.3	Very low	28.5	Very low	113 Å²	113	153.1 Å²	153.1	73%	0.734	77%	0.771	S	S	*	*			cis	-146	157	48.2	40.4	-21.1	0	0	0	119.5
45	R	28.2	Very low	28.6	Very low	203 Å²	203	150.6 Å²	150.6	77%	0.766	78%	0.776	S	S	*	*			trans	44.8	107.5	145.1	-74.4	-177.4	160.7	175.4	-8.2	120.7
46	G	26.7	Very low	28.9	Very low	78 Å²	78	145.7 Å²	145.7	80%	0.804	76%	0.757	S	S	*	*				-104.8	176.7	113.2	0	0	0	0	0	109.9
47	Q	30	Very low	29	Very low	157 Å²	157	145.4 Å²	145.4	73%	0.734	76%	0.756	S	S	*	*			trans	-126.1	121.8	169.2	-89.1	177.3	-115.9	0	0	109.1
48	E	30.2	Very low	29.1	Very low	194 Å²	194	138.3 Å²	138.3	91%	0.907	75%	0.746	S	S	*	*			trans	-137.6	133.1	161.7	-71.9	177.4	156	0	0	106.2	G50	E48-G50 PolarHBondContact O-N 3.01Å
49	E	29.7	Very low	29.1	Very low	190 Å²	190	131.1 Å²	131.1	89%	0.888	72%	0.722	S	S	*	*			trans	-93.9	79.1	-179.1	-68.1	-170.5	141.4	0	0	109.7	G51	E49-G51 VanDerWaalsContact C-N 3.29Å; E49-G51 PolarHBondContact O-N 2.81Å
50	G	27.8	Very low	29.1	Very low	80 Å²	80	132.7 Å²	132.7	83%	0.825	72%	0.723	S	S	*	*			trans	-70.2	82.9	171.9	0	0	0	0	0	111.6	E48	E48-G50 PolarHBondContact O-N 3.01Å
51	G	28.7	Very low	29.2	Very low	67 Å²	67	129.3 Å²	129.3	69%	0.691	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-71.7	139.9	161.3	0	0	0	0	0	110.5	E49	E49-G51 VanDerWaalsContact C-N 3.29Å; E49-G51 PolarHBondContact O-N 2.81Å
52	E	31.4	Very low	29.2	Very low	190 Å²	190	122.7 Å²	122.7	89%	0.888	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-67	138.9	169.4	-65.6	179.2	144.6	0	0	109.3
53	P	28.2	Very low	29.4	Very low	109 Å²	109	125.7 Å²	125.7	71%	0.708	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-66.2	133.8	-179.7	27.3	-33.9	0	0	0	110.1	V55	P53-V55 PolarHBondContact O-N 2.98Å
54	P	29.7	Very low	29.6	Very low	89 Å²	89	116.5 Å²	116.5	58%	0.578	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-65.8	120.5	176.8	26.9	-33.3	0	0	0	109.9	I56	P54-I56 PolarHBondContact O-N 3.02Å
55	V	27.8	Very low	29.1	Very low	128 Å²	128	117 Å²	117	78%	0.776	64%	0.643	S	S	*	*			trans	-73.9	97.8	175.2	-179.1	0	0	0	0	108.8	P53 Q57	P53-V55 PolarHBondContact O-N 2.98Å; V55-Q57 HydrophobicContact CG1-CG 4.25Å; V55-Q57 PolarHBondContact O-N 2.9Å
56	I	30.1	Very low	29	Very low	74 Å²	74	115.6 Å²	115.6	38%	0.379	64%	0.637	S	S	.	*			trans	-79.3	114.8	174.7	-59.8	175.8	0	0	0	108.3	P54 L59 H782	P54-I56 PolarHBondContact O-N 3.02Å; I56-L59 HydrophobicContact CG2-CD1 3.92Å; I56-H782 HydrophobicContact CD1-CB 4.13Å
57	Q	28.4	Very low	29.1	Very low	153 Å²	153	119.1 Å²	119.1	72%	0.715	64%	0.637	S	S	*	*			trans	-101.9	118.7	173.8	-71.9	-173.3	-28.2	0	0	110.9	V55	V55-Q57 HydrophobicContact CG1-CG 4.25Å; V55-Q57 PolarHBondContact O-N 2.9Å
58	G	28.2	Very low	29.2	Very low	55 Å²	55	120.8 Å²	120.8	57%	0.567	64%	0.642	S	S	*	*			trans	81.4	77.7	162.1	0	0	0	0	0	116.4
59	L	28.3	Very low	29.1	Very low	41 Å²	41	117.7 Å²	117.7	22%	0.215	64%	0.636	C	S	.	*			trans	-73.6	131.9	156.7	-97.4	80.7	0	0	0	110.4	I56 V61 I787	I56-L59 HydrophobicContact CG2-CD1 3.92Å; L59-V61 HydrophobicContact CB-CG2 4.33Å; L59-V61 HydrophobicContact CD2-CG2 4.35Å; L59-I787 HydrophobicContact CD2-CG2 3.63Å
60	W	31.4	Very low	29.1	Very low	203 Å²	203	115.5 Å²	115.5	77%	0.769	64%	0.636	S	S	*	*			trans	-96.1	104.3	166	-66.3	87.2	0	0	0	109
61	V	29.8	Very low	29.5	Very low	39 Å²	39	115.7 Å²	115.7	24%	0.236	64%	0.638	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.3	122.7	173.4	-177.5	0	0	0	0	109.4	L59 F770 I772 Q790	L59-V61 HydrophobicContact CB-CG2 4.33Å; L59-V61 HydrophobicContact CD2-CG2 4.35Å; V61-F770 HydrophobicContact CG1-CB 4.35Å; V61-F770 HydrophobicContact CG1-CD2 3.48Å; V61-F770 VanDerWaalsContact CG1-CD2 3.48Å; V61-F770 HydrophobicContact CG1-CE2 3.95Å; V61-F770 HydrophobicContact CG1-CG 4.12Å; V61-I772 HydrophobicContact CB-CG2 4.29Å; V61-I772 HydrophobicContact CG1-CG2 4.17Å; V61-I772 HydrophobicContact CG2-CG2 3.69Å; V61-Q790 VanDerWaalsContact CG1-OE1 3.28Å; V61-Q790 VanDerWaalsContact CG2-NE2 3.34Å
62	Q	30.2	Very low	29.8	Very low	103 Å²	103	120 Å²	120	48%	0.481	64%	0.644	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.1	97.7	171.1	-170.9	175.3	22.3	0	0	107.9	V64 R771	Q62-V64 HydrophobicContact CG-CG2 4.13Å; Q62-V64 PolarHBondContact O-N 3.38Å; Q62-R771 PolarHBondContact N-O 2.81Å; Q62-R771 PolarHBondContact O-N 2.95Å
63	E	28.5	Very low	29.9	Very low	138 Å²	138	117.7 Å²	117.7	65%	0.645	64%	0.636	S	S	*	*			trans	-65.4	126.8	167.3	-170.1	170.9	-149.2	0	0	109	K768	E63-K768 WeakPolarHBondContact OE1-CE 3.28Å; E63-K768 IonicContact OE1-NZ 2.67Å; E63-K768 PolarHBondContact OE1-NZ 2.9Å
64	V	30	Very low	30	Very low	42 Å²	42	118 Å²	118	26%	0.255	64%	0.637	S	S	.	*			trans	-120.3	107.2	-178.9	-178.7	0	0	0	0	108.4	Q62 W66	Q62-V64 HydrophobicContact CG-CG2 4.13Å; Q62-V64 PolarHBondContact O-N 3.38Å; V64-W66 HydrophobicContact CG1-CD2 4.25Å; V64-W66 HydrophobicContact CG1-CG 4.29Å; V64-W66 HydrophobicContact CG1-CZ2 4.32Å; V64-W66 PolarHBondContact O-N 3.2Å
65	D	27.2	Very low	30.1	Very low	125 Å²	125	118.2 Å²	118.2	67%	0.668	64%	0.639	S	S	*	*			trans	-80.2	96.9	174.9	-104	20.1	0	0	0	110.4	L67 K768	D65-L67 PolarHBondContact O-N 2.68Å; D65-K768 WeakPolarHBondContact OD1-CE 3.41Å; D65-K768 IonicContact OD1-NZ 2.7Å; D65-K768 PolarHBondContact OD1-NZ 2.92Å
66	W	27.1	Very low	30.2	Very low	172 Å²	172	116.9 Å²	116.9	65%	0.652	63%	0.633	S	S	*	*			trans	-72.7	56.7	-176.9	-73	92	0	0	0	113.9	V64 W761 C769	V64-W66 HydrophobicContact CG1-CD2 4.25Å; V64-W66 HydrophobicContact CG1-CG 4.29Å; V64-W66 HydrophobicContact CG1-CZ2 4.32Å; V64-W66 PolarHBondContact O-N 3.2Å; W66-W761 HydrophobicContact CZ2-CZ3 4.24Å; W66-C769 PolarHBondContact NE1-O 3.28Å
67	L	28.3	Very low	30.3	Very low	152 Å²	152	118.6 Å²	118.6	80%	0.796	65%	0.649	S	S	*	*	S	Bend	trans	-149	36	174.4	-119.5	170.8	0	0	0	117.2	D65	D65-L67 PolarHBondContact O-N 2.68Å
68	K	32.3	Very low	30.4	Very low	192 Å²	192	119.5 Å²	119.5	84%	0.835	65%	0.653	S	S	*	*	S	Bend	trans	-161	147.3	145.9	-95.2	127.3	-162.7	174.1	0	112.7
69	T	28	Very low	30.7	Very low	130 Å²	130	126.2 Å²	126.2	80%	0.798	67%	0.667	S	S	*	*	S	Bend	trans	48.7	79.3	161	46.5	0	0	0	0	118.9
70	T	29.9	Very low	30.7	Very low	143 Å²	143	130 Å²	130	88%	0.877	69%	0.693	S	S	*	*				-175.3	135.6	105.5	26.5	0	0	0	0	111.1	I72	T70-I72 PolarHBondContact O-N 3.48Å
71	G	36.8	Very low	30.5	Very low	84 Å²	84	128 Å²	128	87%	0.866	70%	0.696	S	S	*	*			trans	-95.8	47.4	-168.2	0	0	0	0	0	115.5
72	I	34.3	Very low	30.3	Very low	159 Å²	159	130.9 Å²	130.9	82%	0.815	72%	0.719	S	S	*	*			trans	-129	105.9	177.2	-56.3	-178.6	0	0	0	110	T70	T70-I72 PolarHBondContact O-N 3.48Å
73	I	32.9	Very low	30.2	Very low	141 Å²	141	132.2 Å²	132.2	72%	0.723	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-97.9	124	175.7	-63.6	168.7	0	0	0	108.5	P75	I73-P75 WeakPolarHBondContact O-CD 3.39Å
74	P	30.1	Very low	30	Very low	114 Å²	114	137.1 Å²	137.1	74%	0.74	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-69.3	116.7	158	29.3	-29.9	0	0	0	107.7
75	P	32.2	Very low	29.8	Very low	95 Å²	95	142.9 Å²	142.9	62%	0.617	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-66.7	148.8	-175.6	27.9	-34.8	0	0	0	111	I73	I73-P75 WeakPolarHBondContact O-CD 3.39Å
76	P	30.8	Very low	30	Very low	99 Å²	99	142.4 Å²	142.4	64%	0.643	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-59.1	147.6	170.5	27.2	-34.8	0	0	0	110.1	Q78	P76-Q78 PolarHBondContact O-N 3.15Å
77	P	32.2	Very low	29.9	Very low	111 Å²	111	141.4 Å²	141.4	72%	0.721	79%	0.79	S	S	*	*			trans	-61.1	109.2	-174.4	23.5	-33.6	0	0	0	111.4	F79	P77-F79 HydrophobicContact CB-CE2 4.47Å; P77-F79 PolarHBondContact O-N 3.43Å; P77-F79 VanDerWaalsContact O-N 3.14Å
78	Q	30.8	Very low	29.9	Very low	172 Å²	172	139.8 Å²	139.8	80%	0.804	79%	0.792	S	S	*	*			trans	-76.1	100.2	178.9	-66.8	-172.1	0.6	0	0	110.4	P76 T80	P76-Q78 PolarHBondContact O-N 3.15Å; Q78-T80 PolarHBondContact O-N 2.91Å
79	F	33.2	Very low	29.7	Very low	195 Å²	195	141.7 Å²	141.7	86%	0.855	79%	0.793	S	S	*	*			trans	-73.5	116	166.4	-79.8	-84.1	0	0	0	110.1	P77 D81	P77-F79 HydrophobicContact CB-CE2 4.47Å; P77-F79 PolarHBondContact O-N 3.43Å; P77-F79 VanDerWaalsContact O-N 3.14Å; F79-D81 PolarHBondContact O-N 3.15Å
80	T	29.2	Very low	29.7	Very low	122 Å²	122	143.2 Å²	143.2	75%	0.748	79%	0.793	S	S	*	*			trans	-77.6	98.8	177.4	53.5	0	0	0	0	110.7	Q78 S82	Q78-T80 PolarHBondContact O-N 2.91Å; T80-S82 PolarHBondContact O-N 3.44Å
81	D	27.3	Very low	29.6	Very low	159 Å²	159	141.9 Å²	141.9	85%	0.85	79%	0.79	S	S	*	*			trans	-62.9	117.1	165.8	-109.9	-35.6	0	0	0	109.5	F79	F79-D81 PolarHBondContact O-N 3.15Å
82	S	26	Very low	29.1	Very low	101 Å²	101	141.4 Å²	141.4	71%	0.706	79%	0.785	S	S	*	*			trans	-152.7	37.9	-175.8	-80	0	0	0	0	113.1	T80	T80-S82 PolarHBondContact O-N 3.44Å
83	C	26.6	Very low	28.9	Very low	130 Å²	130	142.6 Å²	142.6	88%	0.878	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-73	125.4	160.8	-77.2	0	0	0	0	109.8
84	R	25.6	Very low	28.7	Very low	241 Å²	241	141.4 Å²	141.4	91%	0.909	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-79	151.6	-175.9	-67.1	179.6	176.4	177.8	-1.3	112.4
85	L	26.2	Very low	28.7	Very low	164 Å²	164	143 Å²	143	86%	0.859	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-53.4	158.3	163.9	-69.4	162.6	0	0	0	112.1
86	P	30.6	Very low	28.7	Very low	114 Å²	114	145.7 Å²	145.7	74%	0.74	80%	0.798	S	S	*	*				-134.7	150.2	100.6	37.8	-29.3	0	0	0	115.5
87	D	25.6	Very low	28.7	Very low	152 Å²	152	149 Å²	149	81%	0.813	81%	0.81	S	S	*	*			trans	20.5	132.2	154.6	-61.1	-45.9	0	0	0	120.1
88	S	27.1	Very low	28.7	Very low	118 Å²	118	149.2 Å²	149.2	83%	0.825	81%	0.813	S	S	*	*				-171.7	166.8	75	37.4	0	0	0	0	115.6
89	R	28.2	Very low	28.6	Very low	231 Å²	231	144.8 Å²	144.8	87%	0.872	81%	0.814	S	S	*	*			trans	-65.6	159.8	177.2	-47.9	164	177.1	159.6	-3.6	110.9
90	M	27.9	Very low	28.6	Very low	162 Å²	162	140.4 Å²	140.4	80%	0.798	81%	0.807	S	S	*	*				-179.9	159.4	55.9	-131.2	-56.8	176.6	0	0	111.5
91	S	27.9	Very low	28.9	Very low	116 Å²	116	141.5 Å²	141.5	81%	0.811	81%	0.809	S	S	*	*			trans	63.4	156.3	164.8	66.9	0	0	0	0	118.4
92	G	26.5	Very low	29.3	Very low	73 Å²	73	139.4 Å²	139.4	75%	0.753	80%	0.798	S	S	*	*			cis	-151.1	-172.7	4.1	0	0	0	0	0	113.4
93	Q	30.1	Very low	29.7	Very low	185 Å²	185	145.2 Å²	145.2	86%	0.864	80%	0.804	S	S	*	*			trans	-101.8	-174.5	-166	-61.6	171.5	-88.8	0	0	114.2
94	T	28.8	Very low	29.9	Very low	115 Å²	115	143 Å²	143	71%	0.706	80%	0.803	S	S	*	*			trans	87	143.1	159.6	72.1	0	0	0	0	118.1
95	D	29.6	Very low	30.1	Very low	147 Å²	147	135 Å²	135	79%	0.786	80%	0.796	S	S	*	*			cis	-161.5	169.1	-24	-98.7	-22.5	0	0	0	108.7
96	D	32.6	Very low	30.5	Very low	152 Å²	152	132.3 Å²	132.3	81%	0.813	79%	0.791	S	S	*	*			trans	-62.6	161.7	171	-64.7	-67.9	0	0	0	113.3
97	L	31.4	Very low	30.7	Very low	170 Å²	170	133.5 Å²	133.5	89%	0.89	79%	0.791	S	S	*	*				-166.8	152.3	124.9	-107.4	171.6	0	0	0	114.4
98	S	32.6	Very low	31.1	Very low	114 Å²	114	131.4 Å²	131.4	80%	0.797	79%	0.787	S	S	*	*			trans	-98.7	157	-178.7	55.8	0	0	0	0	113.6
99	G	28	Very low	31.4	Very low	79 Å²	79	132.9 Å²	132.9	81%	0.814	79%	0.785	S	S	*	*			trans	-160.3	144.8	165.4	0	0	0	0	0	112
100	S	33.8	Very low	31.5	Very low	103 Å²	103	127.1 Å²	127.1	72%	0.72	78%	0.779	S	S	*	*			trans	-140.7	-173.8	-170.8	61.5	0	0	0	0	112.9
101	D	34.1	Very low	31.7	Very low	146 Å²	146	128 Å²	128	78%	0.781	78%	0.782	S	S	*	*			trans	82.7	152	164.4	-55.3	9.5	0	0	0	117.6
102	D	36.6	Very low	31.9	Very low	115 Å²	115	127.4 Å²	127.4	62%	0.615	78%	0.777	S	S	*	*			cis	-174.8	162.4	-27.7	-176	23.1	0	0	0	109.5
103	R	34	Very low	32	Very low	223 Å²	223	127.8 Å²	127.8	84%	0.842	77%	0.773	S	S	*	*			trans	72.5	153	163.2	-40.5	-176.2	-174.3	169.2	4.5	119.6
104	G	30.8	Very low	32	Very low	82 Å²	82	128 Å²	128	85%	0.845	77%	0.772	S	S	*	*			cis	160.8	151.8	-11.1	0	0	0	0	0	115.4
105	G	29.2	Very low	32.1	Very low	74 Å²	74	127.4 Å²	127.4	76%	0.763	77%	0.773	S	S	*	*			trans	120.2	123.5	174.3	0	0	0	0	0	114.3
106	S	36.2	Very low	32.2	Very low	108 Å²	108	127.8 Å²	127.8	76%	0.755	77%	0.769	S	S	*	*				79.5	130.1	67.6	-86.6	0	0	0	0	114.2
107	D	34.5	Very low	32.1	Very low	138 Å²	138	127.7 Å²	127.7	74%	0.738	76%	0.764	S	S	*	*			cis	-153.7	171.1	5.7	-76	-41.3	0	0	0	112.8
108	C	33.8	Very low	32.1	Very low	108 Å²	108	124.6 Å²	124.6	73%	0.73	76%	0.757	S	S	*	*			trans	55.3	152.5	151.5	65.3	0	0	0	0	123
109	D	33.4	Very low	32	Very low	149 Å²	149	127.5 Å²	127.5	80%	0.797	76%	0.757	S	S	*	*			cis	-163.7	158.4	-17.9	-105.1	-34.4	0	0	0	111.8
110	C	30.8	Very low	32	Very low	111 Å²	111	128.4 Å²	128.4	75%	0.75	75%	0.751	S	S	*	*			trans	54.8	151	161.8	80.9	0	0	0	0	120.2
111	E	30.2	Very low	31.7	Very low	181 Å²	181	132 Å²	132	85%	0.846	76%	0.757	S	S	*	*			cis	-166.4	172.2	-9.2	-120	-175.8	-92.6	0	0	108.3
112	S	32.2	Very low	31.4	Very low	102 Å²	102	130 Å²	130	71%	0.713	75%	0.754	S	S	*	*			cis	-147.4	-83.1	-2.7	53.4	0	0	0	0	113.9
113	A	29.9	Very low	30.9	Very low	82 Å²	82	129.3 Å²	129.3	68%	0.678	76%	0.759	S	S	*	*			trans	-154.2	161.7	-166.9	0	0	0	0	0	114.4
114	F	29.4	Very low	30.6	Very low	188 Å²	188	129.6 Å²	129.6	83%	0.825	76%	0.76	S	S	*	*			cis	115.3	151.2	8.2	-110.2	-81.2	0	0	0	116.2
115	S	30.8	Very low	30.4	Very low	104 Å²	104	131.4 Å²	131.4	73%	0.727	76%	0.758	S	S	*	*			trans	69.7	157.5	156.4	66.9	0	0	0	0	121
116	H	31.4	Very low	30.4	Very low	155 Å²	155	132.2 Å²	132.2	72%	0.718	75%	0.752	S	S	*	*			cis	-161.2	179.1	-44.7	-136.8	-98.8	0	0	0	109.3
117	E	31.3	Very low	30.1	Very low	149 Å²	149	135.7 Å²	135.7	70%	0.696	76%	0.757	S	S	*	*			trans	-45.1	143.7	178.7	-70	170.1	128.4	0	0	120.9
118	S	30.9	Very low	29.9	Very low	106 Å²	106	133.7 Å²	133.7	74%	0.741	75%	0.753	S	S	*	*				75.1	157	123.2	-59.6	0	0	0	0	125.3
119	E	30.2	Very low	29.7	Very low	174 Å²	174	135.7 Å²	135.7	81%	0.813	76%	0.757	S	S	*	*			trans	83	105.6	155.2	-57.9	-126.7	136.7	0	0	122.1
120	S	29	Very low	29.5	Very low	98 Å²	98	137.3 Å²	137.3	69%	0.685	76%	0.759	S	S	*	*				86.8	134.6	115.3	-59.6	0	0	0	0	124.3
121	E	28.4	Very low	30.1	Very low	179 Å²	179	138.2 Å²	138.2	84%	0.836	76%	0.764	S	S	*	*			trans	63.2	91	148.3	-63.9	-160.8	138.2	0	0	124.3
122	S	25.9	Very low	30	Very low	103 Å²	103	132.6 Å²	132.6	72%	0.72	76%	0.755	S	S	*	*				86.3	143	113.9	86.6	0	0	0	0	123.7
123	S	27.7	Very low	29.7	Very low	102 Å²	102	136.2 Å²	136.2	71%	0.713	77%	0.765	S	S	*	*			trans	106.5	114.7	138.8	82.1	0	0	0	0	121.9
124	R	27.4	Very low	29.5	Very low	228 Å²	228	140.4 Å²	140.4	86%	0.86	77%	0.771	S	S	*	*			trans	79.1	116	138.1	-73.9	178.9	172.9	159.7	0.1	123.3
125	C	25.6	Very low	29.4	Very low	120 Å²	120	136 Å²	136	81%	0.811	76%	0.763	S	S	*	*			trans	74.5	152.6	140.4	-56	0	0	0	0	117.5
126	S	29	Very low	29.2	Very low	92 Å²	92	137.4 Å²	137.4	64%	0.643	76%	0.763	S	S	*	*			cis	-142.4	163.7	13.3	-55.8	0	0	0	0	113.5
127	E	30.9	Very low	29	Very low	181 Å²	181	137 Å²	137	85%	0.846	77%	0.765	S	S	*	*			trans	51.2	143.4	135.8	-71.1	164.8	137.6	0	0	121.7
128	S	30.3	Very low	28.7	Very low	95 Å²	95	135 Å²	135	66%	0.664	77%	0.766	S	S	*	*			cis	-164.2	-173.1	-4.7	54.9	0	0	0	0	112.2
129	D	29.2	Very low	28.5	Very low	151 Å²	151	136.7 Å²	136.7	81%	0.807	77%	0.767	S	S	*	*			trans	107.4	108.9	155.4	-63.1	7.9	0	0	0	119.1
130	Q	30	Very low	28.8	Very low	182 Å²	182	134.5 Å²	134.5	85%	0.85	77%	0.768	S	S	*	*			trans	-118.5	162.6	154.1	-68.4	-171.3	-28.7	0	0	108.4
131	P	42.7	Very low	28.6	Very low	130 Å²	130	135 Å²	135	84%	0.844	77%	0.767	S	S	*	*				-142.1	168.4	94.4	37	-22.7	0	0	0	113.3
132	G	27	Very low	28.4	Very low	64 Å²	64	132 Å²	132	66%	0.66	77%	0.766	S	S	*	*			cis	127.3	112.5	-2.8	0	0	0	0	0	113.5
133	L	26.3	Very low	28.4	Very low	177 Å²	177	133 Å²	133	93%	0.927	76%	0.764	S	S	*	*			trans	-161.1	165.3	158.5	-151.4	62.6	0	0	0	111.3
134	E	27	Very low	28.4	Very low	170 Å²	170	134 Å²	134	79%	0.794	76%	0.76	S	S	*	*			trans	-124.1	166.9	-156.9	-49.9	172.2	106.8	0	0	115.5
135	S	27.6	Very low	28.3	Very low	96 Å²	96	130.4 Å²	130.4	67%	0.671	76%	0.755	S	S	*	*				101.7	121.1	128.9	79.5	0	0	0	0	122.4
136	N	26.1	Very low	28.3	Very low	134 Å²	134	132.4 Å²	132.4	72%	0.717	75%	0.752	S	S	*	*				88.6	124	120.3	-76.4	-8.9	0	0	0	124.6
137	I	25.9	Very low	28.2	Very low	147 Å²	147	134.6 Å²	134.6	75%	0.754	76%	0.761	S	S	*	*			trans	73	128.9	131	-62.4	170.4	0	0	0	115.6
138	S	25	Very low	27.9	Very low	105 Å²	105	131.3 Å²	131.3	73%	0.734	76%	0.758	S	S	*	*			cis	-165.4	158.3	34.5	28	0	0	0	0	113.5
139	D	28.4	Very low	27.6	Very low	143 Å²	143	129.8 Å²	129.8	77%	0.765	76%	0.758	S	S	*	*			trans	-67.3	168.8	155.8	-88.1	-44.3	0	0	0	112.6
140	P	34.8	Very low	27.4	Very low	127 Å²	127	131.8 Å²	131.8	83%	0.825	76%	0.76	S	S	*	*				-132.9	140.2	107.6	36.6	-29	0	0	0	115.2
141	T	24.8	Very low	27	Very low	108 Å²	108	132.4 Å²	132.4	66%	0.663	75%	0.754	S	S	*	*			trans	-70.4	158.2	171.2	50.5	0	0	0	0	113.1
142	S	25.8	Very low	26.2	Very low	117 Å²	117	131.3 Å²	131.3	82%	0.818	75%	0.75	S	S	*	*			trans	174	149.7	132.6	-76.5	0	0	0	0	113.1
143	D	24.7	Very low	26	Very low	125 Å²	125	132.6 Å²	132.6	67%	0.668	74%	0.741	S	S	*	*			cis	-160.9	155.3	-49.3	-138.3	-19	0	0	0	112.4
144	L	27.2	Very low	26	Very low	123 Å²	123	135.2 Å²	135.2	64%	0.644	74%	0.739	S	S	*	*			trans	58.2	135.9	145.8	-86	163.8	0	0	0	125.8
145	M	26.3	Very low	25.8	Very low	151 Å²	151	133.1 Å²	133.1	74%	0.744	73%	0.733	S	S	*	*			trans	79.8	104.2	157	-59	-62.5	-166.5	0	0	119.1
146	H	26.1	Very low	26	Very low	162 Å²	162	133.1 Å²	133.1	75%	0.75	73%	0.733	S	S	*	*				85.1	121.7	52.8	-78.8	-70.3	0	0	0	116.3
147	V	25.3	Very low	26.1	Very low	138 Å²	138	134.6 Å²	134.6	84%	0.836	74%	0.741	S	S	*	*				-162.8	152.7	108.5	144.7	0	0	0	0	109.8
148	S	24.5	Very low	26.3	Very low	113 Å²	113	132.1 Å²	132.1	79%	0.79	74%	0.737	S	S	*	*			trans	-62.5	158.2	-171.6	50.5	0	0	0	0	117.3
149	G	25.2	Very low	26.5	Very low	63 Å²	63	130.6 Å²	130.6	65%	0.649	73%	0.726	S	S	*	*			cis	152.6	162.7	-8.3	0	0	0	0	0	115.8
150	F	23.8	Very low	26.8	Very low	193 Å²	193	131.1 Å²	131.1	85%	0.846	72%	0.724	S	S	*	*			trans	52.4	140.4	144.2	-79.5	-114	0	0	0	122.4
151	R	23.4	Very low	26.6	Very low	194 Å²	194	132.7 Å²	132.7	73%	0.732	72%	0.718	S	S	*	*			cis	-175	135.8	-15.7	-160.6	-167.2	-158.3	-156.7	3.7	112.8
152	S	25.7	Very low	26.8	Very low	108 Å²	108	132.9 Å²	132.9	76%	0.755	72%	0.715	S	S	*	*			trans	179.4	116.3	146.6	50.5	0	0	0	0	108.6
153	N	22.4	Very low	27	Very low	91 Å²	91	133.7 Å²	133.7	49%	0.487	71%	0.705	S	S	.	*				50.8	119.8	75.1	-76.1	83.2	0	0	0	111.7
154	W	25.9	Very low	27.5	Very low	232 Å²	232	131 Å²	131	88%	0.879	70%	0.697	S	S	*	*			cis	-134.6	155.7	17.6	-82.3	-31	0	0	0	110.1
155	D	24	Very low	27.6	Very low	126 Å²	126	129.2 Å²	129.2	67%	0.674	69%	0.687	S	S	*	*			cis	70.2	115.5	21.5	-55.7	-30.1	0	0	0	116.4
156	S	31.1	Very low	27.9	Very low	95 Å²	95	128 Å²	128	66%	0.664	68%	0.68	S	S	*	*			cis	-164.3	123.1	-3.9	-72.1	0	0	0	0	109
157	D	28	Very low	28.3	Very low	165 Å²	165	127 Å²	127	88%	0.882	68%	0.675	S	S	*	*			trans	-139.1	48.1	179.6	-82.7	-39.3	0	0	0	111.2
158	S	29.5	Very low	28.9	Very low	96 Å²	96	125.5 Å²	125.5	67%	0.671	66%	0.661	S	S	*	*			trans	-139.5	14.7	-172.7	-52.4	0	0	0	0	114.8
159	S	29	Very low	29.1	Very low	73 Å²	73	121.8 Å²	121.8	51%	0.51	64%	0.636	S	S	.	*	S	Bend	trans	-93.6	-45.8	175.5	42.5	0	0	0	0	112.8	F161 L162 E163	S159-F161 VanDerWaalsContact C-N 3.28Å; S159-F161 PolarHBondContact O-N 3.28Å; S159-L162 PolarHBondContact O-N 2.94Å; S159-E163 PolarHBondContact O-N 2.96Å
160	E	34.4	Very low	29.5	Very low	153 Å²	153	123.5 Å²	123.5	72%	0.715	63%	0.63	S	S	*	*	H	α-helix	trans	-59.6	-37.2	-174.5	-61.2	-174.1	158.2	0	0	112.6	L162 E163 S164	E160-L162 PolarHBondContact O-N 3.26Å; E160-E163 PolarHBondContact O-N 2.99Å; E160-S164 PolarHBondContact O-N 2.93Å
161	F	32.4	Very low	30	Very low	160 Å²	160	120.4 Å²	120.4	70%	0.702	62%	0.621	S	S	*	*	H	α-helix	trans	-65.1	-24	177.4	-169.5	-99.4	0	0	0	113.9	S159 L165	S159-F161 VanDerWaalsContact C-N 3.28Å; S159-F161 PolarHBondContact O-N 3.28Å; F161-L165 HydrophobicContact CD1-CD1 4.08Å; F161-L165 HydrophobicContact CE1-CD1 3.76Å; F161-L165 HydrophobicContact CZ-CD1 4.4Å; F161-L165 WeakPolarHBondContact O-CG 3.45Å
162	L	27.8	Very low	30.4	Very low	113 Å²	113	115.3 Å²	115.3	59%	0.592	62%	0.616	S	S	*	*	H	α-helix	trans	-89.8	-30.6	176.8	-76.1	169.6	0	0	0	112.3	S159 E160 L165 Q166	S159-L162 PolarHBondContact O-N 2.94Å; E160-L162 PolarHBondContact O-N 3.26Å; L162-L165 HydrophobicContact CD2-CD1 4.5Å; L162-L165 PolarHBondContact O-N 3.31Å; L162-Q166 WeakPolarHBondContact O-CB 3.39Å; L162-Q166 PolarHBondContact O-N 3.3Å
163	E	31.2	Very low	30.6	Very low	133 Å²	133	116.9 Å²	116.9	62%	0.621	61%	0.611	S	S	*	*	H	α-helix	trans	-67.1	-43	174.2	-69.4	-178.2	140.5	0	0	111.2	S159 E160 L165 Q166 E167	S159-E163 PolarHBondContact O-N 2.96Å; E160-E163 PolarHBondContact O-N 2.99Å; E163-L165 VanDerWaalsContact C-N 3.28Å; E163-L165 PolarHBondContact O-N 3.32Å; E163-Q166 PolarHBondContact O-N 3.44Å; E163-E167 PolarHBondContact O-N 3Å
164	S	34.7	Very low	30.8	Very low	69 Å²	69	114.8 Å²	114.8	48%	0.483	61%	0.607	S	S	.	*	H	α-helix	trans	-62.9	-30.2	172.7	-60.5	0	0	0	0	113.9	E160 Q166 I168	E160-S164 PolarHBondContact O-N 2.93Å; S164-Q166 VanDerWaalsContact C-N 3.34Å; S164-I168 WeakPolarHBondContact O-CD1 3.48Å; S164-I168 WeakPolarHBondContact O-CG1 3.38Å; S164-I168 PolarHBondContact O-N 3.47Å
165	L	30	Very low	31	Very low	86 Å²	86	110.4 Å²	110.4	45%	0.45	61%	0.606	S	S	.	*	H	α-helix	trans	-76.3	-23.4	172.9	-76.3	172.3	0	0	0	112.5	F161 L162 E163 S169	F161-L165 HydrophobicContact CD1-CD1 4.08Å; F161-L165 HydrophobicContact CE1-CD1 3.76Å; F161-L165 HydrophobicContact CZ-CD1 4.4Å; F161-L165 WeakPolarHBondContact O-CG 3.45Å; L162-L165 HydrophobicContact CD2-CD1 4.5Å; L162-L165 PolarHBondContact O-N 3.31Å; E163-L165 VanDerWaalsContact C-N 3.28Å; E163-L165 PolarHBondContact O-N 3.32Å; L165-S169 WeakPolarHBondContact O-CB 3.48Å; L165-S169 PolarHBondContact O-N 3.06Å
166	Q	31	Very low	31.4	Very low	126 Å²	126	108.7 Å²	108.7	59%	0.589	59%	0.592	S	S	*	*	H	α-helix	trans	-79.6	-36.7	177.9	-163.6	156.4	-28.5	0	0	111.9	L162 E163 S164 I168 S169 D170	L162-Q166 WeakPolarHBondContact O-CB 3.39Å; L162-Q166 PolarHBondContact O-N 3.3Å; E163-Q166 PolarHBondContact O-N 3.44Å; S164-Q166 VanDerWaalsContact C-N 3.34Å; Q166-I168 VanDerWaalsContact C-N 3.32Å; Q166-I168 PolarHBondContact O-N 3.31Å; Q166-S169 WeakPolarHBondContact O-CB 3.35Å; Q166-S169 PolarHBondContact O-N 3.33Å; Q166-S169 VanDerWaalsContact O-N 3.15Å; Q166-D170 PolarHBondContact O-N 2.65Å
167	E	35.4	Very low	31.3	Very low	140 Å²	140	107.3 Å²	107.3	65%	0.654	59%	0.593	S	S	*	*	H	α-helix	trans	-60.9	-39.6	168.9	-66.4	-171.5	140.8	0	0	112.1	E163 D170 L171	E163-E167 PolarHBondContact O-N 3Å; E167-D170 PolarHBondContact O-N 3.27Å; E167-L171 PolarHBondContact O-N 2.98Å; E167-L171 VanDerWaalsContact O-N 3.15Å
168	I	37.7	Very low	31.4	Very low	106 Å²	106	106.6 Å²	106.6	54%	0.544	58%	0.582	S	S	.	*	H	α-helix	trans	-69.8	-34.3	174.2	-64.8	169.9	0	0	0	111.3	S164 Q166 S172	S164-I168 WeakPolarHBondContact O-CD1 3.48Å; S164-I168 WeakPolarHBondContact O-CG1 3.38Å; S164-I168 PolarHBondContact O-N 3.47Å; Q166-I168 VanDerWaalsContact C-N 3.32Å; Q166-I168 PolarHBondContact O-N 3.31Å; I168-S172 PolarHBondContact O-N 3.23Å
169	S	29.6	Very low	31.3	Very low	36 Å²	36	108.5 Å²	108.5	25%	0.252	59%	0.585	S	S	.	*	H	α-helix	trans	-63.7	-43.4	172.8	169.8	0	0	0	0	111.7	L165 Q166 L171 S172 Q173	L165-S169 WeakPolarHBondContact O-CB 3.48Å; L165-S169 PolarHBondContact O-N 3.06Å; Q166-S169 WeakPolarHBondContact O-CB 3.35Å; Q166-S169 PolarHBondContact O-N 3.33Å; Q166-S169 VanDerWaalsContact O-N 3.15Å; S169-L171 VanDerWaalsContact C-N 3.34Å; S169-L171 PolarHBondContact O-N 2.82Å; S169-S172 CarbonylContact O-C 3.57Å; S169-S172 WeakPolarHBondContact O-CA 3.38Å; S169-S172 WeakPolarHBondContact O-CB 3.44Å; S169-S172 PolarHBondContact O-N 3.21Å; S169-S172 PolarHBondContact O-OG 3.48Å; S169-Q173 PolarHBondContact O-N 3.24Å; S169-Q173 PolarHBondContact OG-NE2 2.82Å
170	D	32	Very low	31.5	Very low	99 Å²	99	113.6 Å²	113.6	53%	0.529	61%	0.607	S	S	.	*	H	α-helix	trans	-68.6	-34.2	-179.6	-72.7	-13.3	0	0	0	111.6	Q166 E167 S172 Q173 A174	Q166-D170 PolarHBondContact O-N 2.65Å; E167-D170 PolarHBondContact O-N 3.27Å; D170-S172 PolarHBondContact O-N 3.18Å; D170-Q173 PolarHBondContact O-N 3.44Å; D170-A174 WeakPolarHBondContact O-CB 3.47Å; D170-A174 PolarHBondContact O-N 2.92Å
171	L	35.7	Very low	31.6	Very low	127 Å²	127	109.3 Å²	109.3	67%	0.665	59%	0.593	S	S	*	*	H	α-helix	trans	-61.9	-21.3	165.9	-85.7	163.2	0	0	0	114.1	E167 S169	E167-L171 PolarHBondContact O-N 2.98Å; E167-L171 VanDerWaalsContact O-N 3.15Å; S169-L171 VanDerWaalsContact C-N 3.34Å; S169-L171 PolarHBondContact O-N 2.82Å
172	S	30.2	Very low	32.1	Very low	87 Å²	87	107.2 Å²	107.2	61%	0.608	59%	0.59	S	S	*	*	H	α-helix	trans	-97.3	-22	178	79.2	0	0	0	0	114.3	I168 S169 D170	I168-S172 PolarHBondContact O-N 3.23Å; S169-S172 CarbonylContact O-C 3.57Å; S169-S172 WeakPolarHBondContact O-CA 3.38Å; S169-S172 WeakPolarHBondContact O-CB 3.44Å; S169-S172 PolarHBondContact O-N 3.21Å; S169-S172 PolarHBondContact O-OG 3.48Å; D170-S172 PolarHBondContact O-N 3.18Å
173	Q	29.6	Very low	32.8	Very low	141 Å²	141	105.7 Å²	105.7	66%	0.659	59%	0.588	S	S	*	*	H	α-helix	trans	-99.7	-14.5	-179.2	-69.4	-171.6	55.8	0	0	113.3	S169 D170 T175	S169-Q173 PolarHBondContact O-N 3.24Å; S169-Q173 PolarHBondContact OG-NE2 2.82Å; D170-Q173 PolarHBondContact O-N 3.44Å; Q173-T175 PolarHBondContact O-N 2.84Å
174	A	28.1	Very low	33.7	Very low	48 Å²	48	104.2 Å²	104.2	40%	0.397	58%	0.582	S	S	.	*	S	Bend	trans	-63.3	99.3	157	0	0	0	0	0	109.3	D170 F176	D170-A174 WeakPolarHBondContact O-CB 3.47Å; D170-A174 PolarHBondContact O-N 2.92Å; A174-F176 HydrophobicContact CB-CD2 3.95Å; A174-F176 HydrophobicContact CB-CE2 3.71Å; A174-F176 WeakPolarHBondContact O-CD2 3.35Å; A174-F176 PolarHBondContact O-N 3.15Å
175	T	30.2	Very low	34.4	Very low	140 Å²	140	103.7 Å²	103.7	86%	0.859	57%	0.57	S	S	*	*			trans	-68.4	83.6	167.5	50.9	0	0	0	0	109.3	Q173 G177	Q173-T175 PolarHBondContact O-N 2.84Å; T175-G177 PolarHBondContact O-N 3.42Å
176	F	32.3	Very low	35.6	Very low	90 Å²	90	104.2 Å²	104.2	40%	0.395	57%	0.574	S	S	.	*			trans	-59	105.4	168.8	-80.3	-90	0	0	0	108.8	A174 F178	A174-F176 HydrophobicContact CB-CD2 3.95Å; A174-F176 HydrophobicContact CB-CE2 3.71Å; A174-F176 WeakPolarHBondContact O-CD2 3.35Å; A174-F176 PolarHBondContact O-N 3.15Å; F176-F178 HydrophobicContact CB-CD1 4.15Å; F176-F178 HydrophobicContact CB-CD2 3.81Å; F176-F178 HydrophobicContact CB-CE1 3.9Å; F176-F178 HydrophobicContact CB-CE2 3.54Å; F176-F178 HydrophobicContact CB-CG 4.11Å; F176-F178 HydrophobicContact CB-CZ 3.59Å; F176-F178 HydrophobicContact CD1-CE1 4.46Å; F176-F178 HydrophobicContact CG-CE1 4.24Å; F176-F178 HydrophobicContact CG-CE2 4.49Å; F176-F178 HydrophobicContact CG-CZ 4.08Å; F176-F178 VanDerWaalsContact O-CD2 3.28Å; F176-F178 WeakPolarHBondContact O-CD2 3.22Å; F176-F178 PolarHBondContact O-N 3.41Å
177	G	28.2	Very low	36.7	Very low	66 Å²	66	105.2 Å²	105.2	68%	0.68	58%	0.578	S	S	*	*			trans	-70.5	79.5	159.7	0	0	0	0	0	107.8	T175 N179	T175-G177 PolarHBondContact O-N 3.42Å; G177-N179 PolarHBondContact O-N 3.24Å
178	F	31.1	Very low	37.8	Very low	149 Å²	149	101.6 Å²	101.6	65%	0.654	56%	0.563	S	S	*	*			trans	-57.1	92.7	-174.7	-76	-74.8	0	0	0	111.3	F176 F203	F176-F178 HydrophobicContact CB-CD1 4.15Å; F176-F178 HydrophobicContact CB-CD2 3.81Å; F176-F178 HydrophobicContact CB-CE1 3.9Å; F176-F178 HydrophobicContact CB-CE2 3.54Å; F176-F178 HydrophobicContact CB-CG 4.11Å; F176-F178 HydrophobicContact CB-CZ 3.59Å; F176-F178 HydrophobicContact CD1-CE1 4.46Å; F176-F178 HydrophobicContact CG-CE1 4.24Å; F176-F178 HydrophobicContact CG-CE2 4.49Å; F176-F178 HydrophobicContact CG-CZ 4.08Å; F176-F178 VanDerWaalsContact O-CD2 3.28Å; F176-F178 WeakPolarHBondContact O-CD2 3.22Å; F176-F178 PolarHBondContact O-N 3.41Å; F178-F203 HydrophobicContact CZ-CE2 4.45Å
179	N	27.5	Very low	39.2	Very low	137 Å²	137	101.3 Å²	101.3	73%	0.733	56%	0.558	S	S	*	*			trans	-87.5	142.2	161.1	-74	-51.1	0	0	0	108.3	G177 S181	G177-N179 PolarHBondContact O-N 3.24Å; N179-S181 PolarHBondContact O-N 3.44Å
180	D	32.4	Very low	41.4	Very low	180 Å²	180	101.3 Å²	101.3	96%	0.963	56%	0.564	S	S	*	*			trans	-76.4	83.1	-174.3	-163.4	23.9	0	0	0	110.4
181	S	36.2	Very low	43.9	Very low	62 Å²	62	100.9 Å²	100.9	43%	0.434	56%	0.555	S	S	.	*			trans	-144.1	123.4	-176.3	57.7	0	0	0	0	113.6	N179 S183	N179-S181 PolarHBondContact O-N 3.44Å; S181-S183 PolarHBondContact O-N 3.15Å
182	D	43.5	Very low	46.4	Very low	117 Å²	117	94.9 Å²	94.9	63%	0.626	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-58	-12.5	-172.6	-66.3	-68.1	0	0	0	116.8	E184 F185 Q210	D182-E184 VanDerWaalsContact C-N 3.34Å; D182-E184 PolarHBondContact O-N 3.34Å; D182-F185 PolarHBondContact O-N 3.48Å; D182-Q210 PolarHBondContact OD1-NE2 3.39Å
183	S	43.2	Very low	49.1	Very low	80 Å²	80	93.3 Å²	93.3	56%	0.559	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-66.6	-25.2	-167.2	45.3	0	0	0	0	115.5	S181	S181-S183 PolarHBondContact O-N 3.15Å
184	E	48.2	Very low	51.9	Low	103 Å²	103	90.5 Å²	90.5	48%	0.481	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-78.2	-23.8	-178.4	-63.8	-177.7	164.1	0	0	112.3	D182 D186	D182-E184 VanDerWaalsContact C-N 3.34Å; D182-E184 PolarHBondContact O-N 3.34Å; E184-D186 VanDerWaalsContact C-N 3.32Å; E184-D186 PolarHBondContact O-N 2.97Å
185	F	51.2	Low	54.4	Low	57 Å²	57	90.2 Å²	90.2	25%	0.25	49%	0.485	C	S	.	.	G	3₁₀ helix	trans	-79.1	-10.7	176.7	-72.1	-82.6	0	0	0	113.8	D182 E187 L188 I211	D182-F185 PolarHBondContact O-N 3.48Å; F185-E187 VanDerWaalsContact C-N 3.31Å; F185-L188 HydrophobicContact CD1-CD1 3.87Å; F185-L188 HydrophobicContact CE1-CD1 4.28Å; F185-L188 PolarHBondContact O-N 3.14Å; F185-I211 HydrophobicContact CD1-CG1 4.44Å
186	D	53.5	Low	56.6	Low	98 Å²	98	86.9 Å²	86.9	52%	0.524	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-68.5	-28.2	173.2	-93.6	-18.4	0	0	0	112.4	E184 L188 K189	E184-D186 VanDerWaalsContact C-N 3.32Å; E184-D186 PolarHBondContact O-N 2.97Å; D186-L188 VanDerWaalsContact C-N 3.27Å; D186-L188 PolarHBondContact O-N 3.43Å; D186-K189 PolarHBondContact O-N 2.87Å; D186-K189 WeakPolarHBondContact OD1-CD 3.41Å; D186-K189 WeakPolarHBondContact OD1-CE 3.43Å; D186-K189 IonicContact OD1-NZ 2.76Å; D186-K189 PolarHBondContact OD1-NZ 2.88Å
187	E	55.6	Low	58.3	Low	146 Å²	146	85 Å²	85	68%	0.682	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-73.1	-18.7	177.9	-63.3	-154.5	153.8	0	0	113.9	F185 R191	F185-E187 VanDerWaalsContact C-N 3.31Å; E187-R191 PolarHBondContact O-NE 3.34Å; E187-R191 PolarHBondContact O-NH2 2.77Å
188	L	59	Low	60.1	Low	64 Å²	64	88.8 Å²	88.8	34%	0.335	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-87.1	-13.8	177.9	-71.3	168.6	0	0	0	113.3	F185 D186 R191 M193	F185-L188 HydrophobicContact CD1-CD1 3.87Å; F185-L188 HydrophobicContact CE1-CD1 4.28Å; F185-L188 PolarHBondContact O-N 3.14Å; D186-L188 VanDerWaalsContact C-N 3.27Å; D186-L188 PolarHBondContact O-N 3.43Å; L188-R191 PolarHBondContact O-N 2.84Å; L188-M193 HydrophobicContact CD2-CE 4.39Å; L188-M193 HydrophobicContact CD2-CG 3.91Å; L188-M193 HydrophobicContact CD2-SD 4.11Å
189	K	65.8	Low	61.6	Low	100 Å²	100	87.9 Å²	87.9	44%	0.435	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	136.1	179.8	-69.9	174.6	-173.9	165.6	0	110.4	D186 R191	D186-K189 PolarHBondContact O-N 2.87Å; D186-K189 WeakPolarHBondContact OD1-CD 3.41Å; D186-K189 WeakPolarHBondContact OD1-CE 3.43Å; D186-K189 IonicContact OD1-NZ 2.76Å; D186-K189 PolarHBondContact OD1-NZ 2.88Å; K189-R191 VanDerWaalsContact C-N 3.3Å
190	G	75.3	Confident	63.3	Low	36 Å²	36	81.9 Å²	81.9	37%	0.371	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	24.5	-171.6	0	0	0	0	0	114.9	N222 E223	G190-N222 CarbonylContact C-O 3.55Å; G190-N222 WeakPolarHBondContact CA-O 3.48Å; G190-E223 PolarHBondContact N-OE2 2.84Å
191	R	85.9	Confident	64.3	Low	90 Å²	90	77.4 Å²	77.4	34%	0.34	41%	0.408	S	S	.	.			trans	-125.3	142.1	171.6	-61.4	-161.5	-152	-154.5	11	112.7	E187 L188 K189 M193 N222 E223 G224 F236	E187-R191 PolarHBondContact O-NE 3.34Å; E187-R191 PolarHBondContact O-NH2 2.77Å; L188-R191 PolarHBondContact O-N 2.84Å; K189-R191 VanDerWaalsContact C-N 3.3Å; R191-M193 HydrophobicContact CB-SD 4.28Å; R191-N222 PolarHBondContact N-O 3.49Å; R191-E223 VanDerWaalsContact O-CA 3.28Å; R191-E223 WeakPolarHBondContact O-CA 3.44Å; R191-G224 PolarHBondContact O-N 3.12Å; R191-F236 CarbonylContact C-O 3.51Å; R191-F236 WeakPolarHBondContact CA-O 3.37Å; R191-F236 HydrophobicContact CB-CB 3.96Å; R191-F236 HydrophobicContact CG-CB 4Å; R191-F236 HydrophobicContact CG-CG 4.44Å
192	V	88.2	Confident	64.9	Low	1 Å²	1	80.7 Å²	80.7	1%	0.006	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	119.8	166.8	-175.9	0	0	0	0	109.3	N222 G224 I226 P233 F236 V303	V192-N222 WeakPolarHBondContact CG2-OD1 3.4Å; V192-G224 WeakPolarHBondContact CA-O 3.14Å; V192-I226 HydrophobicContact CG1-CD1 3.67Å; V192-I226 HydrophobicContact CG1-CG1 3.92Å; V192-P233 HydrophobicContact CB-CB 4.26Å; V192-P233 HydrophobicContact CG1-CB 3.97Å; V192-F236 PolarHBondContact N-O 2.75Å; V192-V303 HydrophobicContact CG1-CG2 3.87Å; V192-V303 HydrophobicContact CG2-CG1 3.64Å; V192-V303 HydrophobicContact CG2-CG2 4.41Å
193	M	86.9	Confident	65.1	Low	55 Å²	55	81.2 Å²	81.2	27%	0.271	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	136.7	-178.9	-57	-59.7	-68.7	0	0	111	L188 R191 I195 G224 L225 I226 F236	L188-M193 HydrophobicContact CD2-CE 4.39Å; L188-M193 HydrophobicContact CD2-CG 3.91Å; L188-M193 HydrophobicContact CD2-SD 4.11Å; R191-M193 HydrophobicContact CB-SD 4.28Å; M193-I195 HydrophobicContact CB-CD1 4.39Å; M193-I195 HydrophobicContact CB-CG1 4.21Å; M193-G224 PolarHBondContact N-O 2.88Å; M193-L225 HydrophobicContact CB-CD2 4.13Å; M193-L225 WeakPolarHBondContact O-CA 3.38Å; M193-I226 PolarHBondContact O-N 3.1Å; M193-F236 HydrophobicContact CE-CD1 4.49Å; M193-F236 HydrophobicContact CE-CE1 4.25Å; M193-F236 HydrophobicContact SD-CD1 3.69Å; M193-F236 HydrophobicContact SD-CE1 4.03Å
194	Q	87.3	Confident	65.4	Low	82 Å²	82	77.8 Å²	77.8	38%	0.383	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	122	167.8	-148.9	-167.5	46.7	0	0	108.9	I226 H229 L231 P233	Q194-I226 CarbonylContact C-O 3.58Å; Q194-I226 WeakPolarHBondContact CA-O 3.46Å; Q194-I226 HydrophobicContact CG-CB 4.26Å; Q194-I226 HydrophobicContact CG-CG2 3.97Å; Q194-H229 PolarHBondContact NE2-O 3.33Å; Q194-H229 VanDerWaalsContact NE2-O 3.14Å; Q194-L231 PolarHBondContact NE2-O 3.08Å; Q194-P233 HydrophobicContact CB-CG 3.97Å
195	I	80.4	Confident	65.8	Low	41 Å²	41	75.8 Å²	75.8	21%	0.21	39%	0.391	C	S	.	.			trans	-136.7	114	-178.6	-53.8	-175.2	0	0	0	109.4	M193 K197 F199 I204 L225 I226 F227	M193-I195 HydrophobicContact CB-CD1 4.39Å; M193-I195 HydrophobicContact CB-CG1 4.21Å; I195-K197 PolarHBondContact O-N 2.93Å; I195-F199 HydrophobicContact CG2-CB 4.29Å; I195-I204 HydrophobicContact CD1-CD1 4.23Å; I195-I204 HydrophobicContact CG2-CD1 3.79Å; I195-L225 HydrophobicContact CD1-CD2 3.82Å; I195-L225 HydrophobicContact CG1-CD2 4.48Å; I195-I226 PolarHBondContact N-O 3.01Å; I195-F227 WeakPolarHBondContact O-CA 3.36Å
196	P	76.2	Confident	66.1	Low	70 Å²	70	79.2 Å²	79.2	46%	0.455	41%	0.412	S	S	.	.			trans	-59.1	133	-179	-23.6	32.7	0	0	0	112.6	L198 F199	P196-L198 PolarHBondContact O-N 2.78Å; P196-F199 HydrophobicContact CB-CD2 3.9Å; P196-F199 HydrophobicContact CB-CE2 4.08Å; P196-F199 HydrophobicContact CG-CD2 4.13Å; P196-F199 HydrophobicContact CG-CE2 4.11Å; P196-F199 PolarHBondContact O-N 3.21Å
197	K	68.7	Low	66.4	Low	50 Å²	50	75.6 Å²	75.6	22%	0.217	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-49.8	-25.8	-172.3	-165.8	173.1	176.8	170.2	0	115.6	I195 F199 L200 F227 E298	I195-K197 PolarHBondContact O-N 2.93Å; K197-F199 PolarHBondContact O-N 3.39Å; K197-L200 HydrophobicContact CB-CD1 4.36Å; K197-L200 HydrophobicContact CG-CD1 3.74Å; K197-L200 WeakPolarHBondContact O-CB 3.38Å; K197-L200 WeakPolarHBondContact O-CG 3.48Å; K197-L200 PolarHBondContact O-N 3.48Å; K197-F227 HydrophobicContact CB-CB 4.38Å; K197-E298 VanDerWaalsContact CD-OE1 3.28Å; K197-E298 WeakPolarHBondContact CD-OE1 3.36Å; K197-E298 IonicContact NZ-OE1 3.52Å; K197-E298 PolarHBondContact NZ-OE1 2.96Å
198	L	66.6	Low	66.9	Low	147 Å²	147	68.9 Å²	68.9	77%	0.77	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-61.8	-38.4	176.6	-66.5	169.1	0	0	0	113.1	P196 L200 S201	P196-L198 PolarHBondContact O-N 2.78Å; L198-L200 VanDerWaalsContact C-N 3.27Å; L198-L200 PolarHBondContact O-N 3.42Å; L198-S201 PolarHBondContact O-OG 2.54Å
199	F	62.3	Low	67.3	Low	129 Å²	129	70.7 Å²	70.7	57%	0.566	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-75.8	-11	-176.5	-62	-74.2	0	0	0	113.8	I195 P196 K197 S201	I195-F199 HydrophobicContact CG2-CB 4.29Å; P196-F199 HydrophobicContact CB-CD2 3.9Å; P196-F199 HydrophobicContact CB-CE2 4.08Å; P196-F199 HydrophobicContact CG-CD2 4.13Å; P196-F199 HydrophobicContact CG-CE2 4.11Å; P196-F199 PolarHBondContact O-N 3.21Å; K197-F199 PolarHBondContact O-N 3.39Å; F199-S201 PolarHBondContact O-N 2.88Å
200	L	62.3	Low	67.4	Low	12 Å²	12	69.5 Å²	69.5	6%	0.063	36%	0.364	C	S	.	.	H	α-helix	trans	-60.5	-30.2	177.1	-64.8	172.2	0	0	0	113.2	K197 L198 T202 I204 N205 I208 F227	K197-L200 HydrophobicContact CB-CD1 4.36Å; K197-L200 HydrophobicContact CG-CD1 3.74Å; K197-L200 WeakPolarHBondContact O-CB 3.38Å; K197-L200 WeakPolarHBondContact O-CG 3.48Å; K197-L200 PolarHBondContact O-N 3.48Å; L198-L200 VanDerWaalsContact C-N 3.27Å; L198-L200 PolarHBondContact O-N 3.42Å; L200-T202 PolarHBondContact O-N 2.93Å; L200-I204 HydrophobicContact CD2-CB 4.15Å; L200-I204 HydrophobicContact CD2-CD1 3.94Å; L200-I204 HydrophobicContact CD2-CG1 4.49Å; L200-I204 HydrophobicContact CD2-CG2 4.11Å; L200-I204 PolarHBondContact O-N 3.39Å; L200-N205 PolarHBondContact O-ND2 3.45Å; L200-I208 HydrophobicContact CD2-CD1 3.74Å; L200-F227 HydrophobicContact CD1-CD1 4.11Å; L200-F227 HydrophobicContact CD1-CE1 4.3Å; L200-F227 HydrophobicContact CD2-CD1 4.03Å; L200-F227 HydrophobicContact CD2-CE1 3.76Å
201	S	55	Low	67.1	Low	85 Å²	85	69.4 Å²	69.4	59%	0.594	36%	0.355	S	S	*	.	H	α-helix	trans	-65.5	-41.7	-164.7	58.2	0	0	0	0	114.3	L198 F199 N205	L198-S201 PolarHBondContact O-OG 2.54Å; F199-S201 PolarHBondContact O-N 2.88Å; S201-N205 PolarHBondContact O-ND2 3.26Å; S201-N205 VanDerWaalsContact O-ND2 3.14Å
202	T	48.8	Very low	66.4	Low	132 Å²	132	65.3 Å²	65.3	81%	0.81	34%	0.339	S	S	*	.	H	α-helix	trans	-101.4	-41.6	-176.7	48.6	0	0	0	0	113.4	L200	L200-T202 PolarHBondContact O-N 2.93Å
203	F	46.3	Very low	65.6	Low	128 Å²	128	67.8 Å²	67.8	56%	0.561	35%	0.353	S	S	*	.	H	α-helix	trans	-92.6	-17.6	-168	-175.6	-119.2	0	0	0	114.3	F178 S207	F178-F203 HydrophobicContact CZ-CE2 4.45Å; F203-S207 PolarHBondContact O-OG 3.07Å
204	I	50.8	Low	64.7	Low	8 Å²	8	67.1 Å²	67.1	4%	0.041	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-19.1	-154.6	-39.8	-170.5	0	0	0	114.9	I195 L200 N206 S207 I208	I195-I204 HydrophobicContact CD1-CD1 4.23Å; I195-I204 HydrophobicContact CG2-CD1 3.79Å; L200-I204 HydrophobicContact CD2-CB 4.15Å; L200-I204 HydrophobicContact CD2-CD1 3.94Å; L200-I204 HydrophobicContact CD2-CG1 4.49Å; L200-I204 HydrophobicContact CD2-CG2 4.11Å; L200-I204 PolarHBondContact O-N 3.39Å; I204-N206 PolarHBondContact O-N 2.95Å; I204-S207 PolarHBondContact O-N 2.64Å; I204-S207 VanDerWaalsContact O-N 3.1Å; I204-I208 HydrophobicContact CG2-CB 4.04Å; I204-I208 HydrophobicContact CG2-CD1 3.6Å; I204-I208 HydrophobicContact CG2-CG1 3.57Å; I204-I208 WeakPolarHBondContact O-CB 3.42Å; I204-I208 PolarHBondContact O-N 2.85Å
205	N	56.5	Low	63.9	Low	60 Å²	60	63.4 Å²	63.4	32%	0.321	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.3	-175.6	-78.3	-61.9	0	0	0	116.2	L200 S201 K286	L200-N205 PolarHBondContact O-ND2 3.45Å; S201-N205 PolarHBondContact O-ND2 3.26Å; S201-N205 VanDerWaalsContact O-ND2 3.14Å; N205-K286 WeakPolarHBondContact O-CE 3.19Å; N205-K286 PolarHBondContact O-NZ 3.33Å
206	N	56.9	Low	63.1	Low	130 Å²	130	66.5 Å²	66.5	70%	0.695	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-44.7	169.4	-70.1	-15.1	0	0	0	111.4	I204 I208 K209 Q210	I204-N206 PolarHBondContact O-N 2.95Å; N206-I208 PolarHBondContact O-N 3.49Å; N206-K209 WeakPolarHBondContact O-CA 3.15Å; N206-K209 WeakPolarHBondContact O-CB 3.28Å; N206-K209 PolarHBondContact O-N 3.18Å; N206-Q210 PolarHBondContact O-N 3.45Å; N206-Q210 VanDerWaalsContact O-N 3.15Å
207	S	60.1	Low	62.6	Low	22 Å²	22	66.7 Å²	66.7	15%	0.154	36%	0.355	C	S	.	.	H	α-helix	trans	-62.1	-38.4	-177.9	-32.3	0	0	0	0	113.1	F203 I204 K209 Q210 I211	F203-S207 PolarHBondContact O-OG 3.07Å; I204-S207 PolarHBondContact O-N 2.64Å; I204-S207 VanDerWaalsContact O-N 3.1Å; S207-K209 VanDerWaalsContact C-N 3.27Å; S207-K209 PolarHBondContact O-N 3.39Å; S207-Q210 PolarHBondContact O-N 2.7Å; S207-I211 WeakPolarHBondContact O-CG1 3.32Å; S207-I211 PolarHBondContact O-N 3.15Å
208	I	66.1	Low	62.2	Low	4 Å²	4	70.2 Å²	70.2	2%	0.021	38%	0.381	C	S	.	.	H	α-helix	trans	-57.5	-40.6	169.3	-104.9	163.3	0	0	0	110.7	L200 I204 N206 I211 L212 L225 F227 K286	L200-I208 HydrophobicContact CD2-CD1 3.74Å; I204-I208 HydrophobicContact CG2-CB 4.04Å; I204-I208 HydrophobicContact CG2-CD1 3.6Å; I204-I208 HydrophobicContact CG2-CG1 3.57Å; I204-I208 WeakPolarHBondContact O-CB 3.42Å; I204-I208 PolarHBondContact O-N 2.85Å; N206-I208 PolarHBondContact O-N 3.49Å; I208-I211 PolarHBondContact O-N 3.2Å; I208-L212 HydrophobicContact CG2-CD1 3.77Å; I208-L212 HydrophobicContact CG2-CG 4.37Å; I208-L212 VanDerWaalsContact O-CB 3.28Å; I208-L212 WeakPolarHBondContact O-CB 3.28Å; I208-L212 WeakPolarHBondContact O-CG 3.48Å; I208-L212 PolarHBondContact O-N 3.43Å; I208-L225 HydrophobicContact CD1-CD1 3.87Å; I208-L225 HydrophobicContact CG1-CD1 3.39Å; I208-F227 HydrophobicContact CD1-CE1 4.41Å; I208-F227 HydrophobicContact CD1-CZ 4.41Å; I208-K286 HydrophobicContact CG2-CB 4.4Å
209	K	67.4	Low	62.2	Low	102 Å²	102	70.7 Å²	70.7	44%	0.443	38%	0.377	S	S	.	.	H	α-helix	trans	-64.4	-47	179.3	-164.5	-162	177.8	-87.6	0	109.8	N206 S207 I211 L212 D213	N206-K209 WeakPolarHBondContact O-CA 3.15Å; N206-K209 WeakPolarHBondContact O-CB 3.28Å; N206-K209 PolarHBondContact O-N 3.18Å; S207-K209 VanDerWaalsContact C-N 3.27Å; S207-K209 PolarHBondContact O-N 3.39Å; K209-I211 PolarHBondContact O-N 2.84Å; K209-L212 PolarHBondContact O-N 2.71Å; K209-D213 WeakPolarHBondContact CE-OD2 3.21Å; K209-D213 IonicContact NZ-OD2 3.68Å; K209-D213 PolarHBondContact NZ-OD2 3.37Å; K209-D213 WeakPolarHBondContact O-CB 3.49Å; K209-D213 PolarHBondContact O-N 2.9Å
210	Q	67.5	Low	62.3	Low	75 Å²	75	70.3 Å²	70.3	35%	0.35	39%	0.388	S	S	.	.	H	α-helix	trans	-61.8	-44.9	178.8	-167.1	171	10.9	0	0	112.1	D182 N206 S207 T214	D182-Q210 PolarHBondContact OD1-NE2 3.39Å; N206-Q210 PolarHBondContact O-N 3.45Å; N206-Q210 VanDerWaalsContact O-N 3.15Å; S207-Q210 PolarHBondContact O-N 2.7Å; Q210-T214 WeakPolarHBondContact O-CG2 3.34Å; Q210-T214 PolarHBondContact O-N 2.79Å
211	I	68.9	Low	63.1	Low	34 Å²	34	70.7 Å²	70.7	17%	0.174	39%	0.392	C	S	.	.	H	α-helix	trans	-61.3	-53.8	176	-67.4	165.4	0	0	0	110.7	F185 S207 I208 K209 D213 T214 W215	F185-I211 HydrophobicContact CD1-CG1 4.44Å; S207-I211 WeakPolarHBondContact O-CG1 3.32Å; S207-I211 PolarHBondContact O-N 3.15Å; I208-I211 PolarHBondContact O-N 3.2Å; K209-I211 PolarHBondContact O-N 2.84Å; I211-D213 VanDerWaalsContact C-N 3.34Å; I211-D213 PolarHBondContact O-N 3.24Å; I211-T214 PolarHBondContact O-N 3.14Å; I211-T214 VanDerWaalsContact O-N 3.15Å; I211-T214 PolarHBondContact O-OG1 3.23Å; I211-W215 HydrophobicContact CG2-CZ2 4.3Å; I211-W215 VanDerWaalsContact O-CD1 3.26Å
212	L	72.1	Confident	64.7	Low	4 Å²	4	66.8 Å²	66.8	2%	0.021	37%	0.365	C	S	.	.	H	α-helix	trans	-63.4	-36.8	-178.6	-66.9	177.2	0	0	0	112.8	I208 K209 T214 W215 F280 S282 V285	I208-L212 HydrophobicContact CG2-CD1 3.77Å; I208-L212 HydrophobicContact CG2-CG 4.37Å; I208-L212 VanDerWaalsContact O-CB 3.28Å; I208-L212 WeakPolarHBondContact O-CB 3.28Å; I208-L212 WeakPolarHBondContact O-CG 3.48Å; I208-L212 PolarHBondContact O-N 3.43Å; K209-L212 PolarHBondContact O-N 2.71Å; L212-T214 VanDerWaalsContact C-N 3.28Å; L212-T214 PolarHBondContact O-N 3.3Å; L212-W215 HydrophobicContact CD2-CD2 3.98Å; L212-W215 HydrophobicContact CD2-CE3 3.55Å; L212-W215 HydrophobicContact CD2-CH2 3.35Å; L212-W215 HydrophobicContact CD2-CZ2 3.77Å; L212-W215 HydrophobicContact CD2-CZ3 3.23Å; L212-W215 WeakPolarHBondContact O-CB 3.39Å; L212-W215 PolarHBondContact O-N 3.47Å; L212-F280 HydrophobicContact CD2-CE1 4.39Å; L212-F280 HydrophobicContact CD2-CZ 4.23Å; L212-S282 VanDerWaalsContact CB-CB 3.47Å; L212-S282 WeakPolarHBondContact CD1-O 3.08Å; L212-V285 HydrophobicContact CD1-CB 3.77Å; L212-V285 HydrophobicContact CD1-CG1 3.83Å; L212-V285 HydrophobicContact CD2-CG1 4.35Å
213	D	70.1	Confident	66.6	Low	53 Å²	53	61.1 Å²	61.1	28%	0.283	33%	0.329	S	S	.	.	H	α-helix	trans	-68.3	-28.2	178.4	-69.6	-6.6	0	0	0	111.3	K209 I211 W215 T216 S282	K209-D213 WeakPolarHBondContact CE-OD2 3.21Å; K209-D213 IonicContact NZ-OD2 3.68Å; K209-D213 PolarHBondContact NZ-OD2 3.37Å; K209-D213 WeakPolarHBondContact O-CB 3.49Å; K209-D213 PolarHBondContact O-N 2.9Å; I211-D213 VanDerWaalsContact C-N 3.34Å; I211-D213 PolarHBondContact O-N 3.24Å; D213-W215 VanDerWaalsContact C-N 3.31Å; D213-W215 PolarHBondContact O-N 2.81Å; D213-T216 WeakPolarHBondContact O-CG2 3.2Å; D213-T216 PolarHBondContact O-OG1 3.13Å; D213-S282 WeakPolarHBondContact OD1-CB 3.29Å; D213-S282 PolarHBondContact OD1-OG 3.26Å
214	T	67.5	Low	68.7	Low	42 Å²	42	55.2 Å²	55.2	26%	0.258	30%	0.304	S	S	.	.	H	α-helix	trans	-71.4	-20.1	172.7	63.1	0	0	0	0	114.3	Q210 I211 L212 T216 T217	Q210-T214 WeakPolarHBondContact O-CG2 3.34Å; Q210-T214 PolarHBondContact O-N 2.79Å; I211-T214 PolarHBondContact O-N 3.14Å; I211-T214 VanDerWaalsContact O-N 3.15Å; I211-T214 PolarHBondContact O-OG1 3.23Å; L212-T214 VanDerWaalsContact C-N 3.28Å; L212-T214 PolarHBondContact O-N 3.3Å; T214-T216 PolarHBondContact O-N 3.05Å; T214-T216 VanDerWaalsContact O-N 3.13Å; T214-T217 PolarHBondContact O-N 3.1Å; T214-T217 PolarHBondContact O-OG1 2.95Å
215	W	71.4	Confident	70.5	Confident	3 Å²	3	55.5 Å²	55.5	1%	0.011	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.2	177.7	-64.2	-3.5	0	0	0	112.7	I211 L212 D213 T217 L277 F280 A302 R304 V309	I211-W215 HydrophobicContact CG2-CZ2 4.3Å; I211-W215 VanDerWaalsContact O-CD1 3.26Å; L212-W215 HydrophobicContact CD2-CD2 3.98Å; L212-W215 HydrophobicContact CD2-CE3 3.55Å; L212-W215 HydrophobicContact CD2-CH2 3.35Å; L212-W215 HydrophobicContact CD2-CZ2 3.77Å; L212-W215 HydrophobicContact CD2-CZ3 3.23Å; L212-W215 WeakPolarHBondContact O-CB 3.39Å; L212-W215 PolarHBondContact O-N 3.47Å; D213-W215 VanDerWaalsContact C-N 3.31Å; D213-W215 PolarHBondContact O-N 2.81Å; W215-T217 PolarHBondContact O-N 3.38Å; W215-L277 HydrophobicContact CB-CD1 4.42Å; W215-L277 WeakPolarHBondContact O-CD1 3.48Å; W215-L277 VanDerWaalsContact O-CD2 3.3Å; W215-L277 WeakPolarHBondContact O-CD2 3.3Å; W215-F280 AromaticContact CE3-CE1 3.87Å; W215-F280 HydrophobicContact CE3-CE1 3.87Å; W215-F280 HydrophobicContact CE3-CZ 4.26Å; W215-F280 HydrophobicContact CZ3-CE1 4.31Å; W215-F280 HydrophobicContact CZ3-CZ 4.23Å; W215-A302 HydrophobicContact CH2-CB 3.97Å; W215-A302 WeakPolarHBondContact CH2-O 3.39Å; W215-A302 HydrophobicContact CZ3-CB 4.19Å; W215-R304 HydrophobicContact CD2-CB 3.98Å; W215-R304 HydrophobicContact CE3-CB 4.07Å; W215-R304 HydrophobicContact CG-CB 4.36Å; W215-R304 HydrophobicContact CZ3-CB 4.43Å; W215-R304 PolarHBondContact O-NH1 2.87Å; W215-V309 HydrophobicContact CE3-CG1 4.11Å; W215-V309 HydrophobicContact CE3-CG2 3.92Å; W215-V309 HydrophobicContact CZ3-CG1 3.66Å; W215-V309 HydrophobicContact CZ3-CG2 4.33Å
216	T	63.6	Low	72.2	Confident	106 Å²	106	52.6 Å²	52.6	65%	0.65	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-15.3	173.9	57.9	0	0	0	0	114.7	D213 T214	D213-T216 WeakPolarHBondContact O-CG2 3.2Å; D213-T216 PolarHBondContact O-OG1 3.13Å; T214-T216 PolarHBondContact O-N 3.05Å; T214-T216 VanDerWaalsContact O-N 3.13Å
217	T	65.9	Low	73.7	Confident	75 Å²	75	47.1 Å²	47.1	46%	0.46	26%	0.26	S	S	.	.	S	Bend	trans	-77.9	129	-178.9	55.7	0	0	0	0	112.9	T214 W215 K219 R304	T214-T217 PolarHBondContact O-N 3.1Å; T214-T217 PolarHBondContact O-OG1 2.95Å; W215-T217 PolarHBondContact O-N 3.38Å; T217-K219 PolarHBondContact O-N 3.13Å; T217-R304 PolarHBondContact O-NH1 3.16Å; T217-R304 PolarHBondContact O-NH2 2.76Å
218	T	59.7	Low	75.1	Confident	124 Å²	124	47.4 Å²	47.4	76%	0.761	26%	0.259	S	S	*	.			trans	-69.8	10.2	-168.9	53.6	0	0	0	0	117.5
219	K	66.7	Low	76.3	Confident	157 Å²	157	53 Å²	53	68%	0.683	29%	0.285	S	S	*	.	S	Bend	trans	-76.2	146.5	179.2	-67.5	-179.9	-179	175.3	0	111.6	T217 A221 R304	T217-K219 PolarHBondContact O-N 3.13Å; K219-A221 PolarHBondContact O-N 2.91Å; K219-R304 PolarHBondContact O-NH2 2.84Å
220	P	64.4	Low	77.6	Confident	121 Å²	121	50.9 Å²	50.9	79%	0.786	28%	0.278	S	S	*	.			trans	-68.2	117.6	169.7	28.6	-33	0	0	0	110
221	A	79.2	Confident	78.8	Confident	19 Å²	19	47.3 Å²	47.3	16%	0.157	26%	0.262	C	S	.	.			trans	-135.5	156.3	177.7	0	0	0	0	0	110.3	K219 E223 G306	K219-A221 PolarHBondContact O-N 2.91Å; A221-E223 HydrophobicContact CB-CG 3.91Å; A221-G306 PolarHBondContact O-N 3.28Å
222	N	89.8	Confident	79.9	Confident	4 Å²	4	48.9 Å²	48.9	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	105.5	162.5	-173.9	-100	0	0	0	106.6	G190 R191 V192 Q237 Y238 R239 R304 D305	G190-N222 CarbonylContact C-O 3.55Å; G190-N222 WeakPolarHBondContact CA-O 3.48Å; R191-N222 PolarHBondContact N-O 3.49Å; V192-N222 WeakPolarHBondContact CG2-OD1 3.4Å; N222-Q237 VanDerWaalsContact OD1-CA 3.28Å; N222-Q237 WeakPolarHBondContact OD1-CA 3.47Å; N222-Y238 PolarHBondContact ND2-O 3.03Å; N222-Y238 PolarHBondContact OD1-N 3.17Å; N222-R239 VanDerWaalsContact CB-CZ 3.47Å; N222-R239 WeakPolarHBondContact ND2-CG 3.47Å; N222-R304 VanDerWaalsContact CA-O 3.3Å; N222-R304 WeakPolarHBondContact CA-O 3.41Å; N222-D305 VanDerWaalsContact ND2-CG 3.33Å; N222-D305 PolarHBondContact ND2-OD1 2.69Å
223	E	88.3	Confident	80.8	Confident	13 Å²	13	50.3 Å²	50.3	6%	0.061	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	137.8	-167.2	53.6	-169.6	-177.5	0	0	110.1	G190 R191 A221 R304	G190-E223 PolarHBondContact N-OE2 2.84Å; R191-E223 VanDerWaalsContact O-CA 3.28Å; R191-E223 WeakPolarHBondContact O-CA 3.44Å; A221-E223 HydrophobicContact CB-CG 3.91Å; E223-R304 HydrophobicContact CG-CB 3.95Å; E223-R304 HydrophobicContact CG-CG 4.46Å; E223-R304 PolarHBondContact N-O 3.41Å; E223-R304 VanDerWaalsContact N-O 3.08Å; E223-R304 WeakPolarHBondContact O-CB 3.22Å; E223-R304 PolarHBondContact O-N 2.78Å; E223-R304 WeakPolarHBondContact OE1-CD 3.25Å; E223-R304 IonicContact OE1-CZ 3.75Å; E223-R304 IonicContact OE1-NE 2.73Å; E223-R304 IonicContact OE1-NH1 3.94Å; E223-R304 PolarHBondContact OE1-NH1 3.38Å
224	G	88.9	Confident	81.8	Confident	4 Å²	4	51.9 Å²	51.9	4%	0.041	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.4	166.7	-162.4	0	0	0	0	0	116	R191 V192 M193 A302	R191-G224 PolarHBondContact O-N 3.12Å; V192-G224 WeakPolarHBondContact CA-O 3.14Å; M193-G224 PolarHBondContact N-O 2.88Å; G224-A302 CarbonylContact C-O 3.06Å; G224-A302 WeakPolarHBondContact CA-O 3.48Å
225	L	88.9	Confident	82.7	Confident	13 Å²	13	54.1 Å²	54.1	7%	0.068	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	125.1	172.1	-61.6	178.7	0	0	0	109.4	M193 I195 I208 F227 G301 A302	M193-L225 HydrophobicContact CB-CD2 4.13Å; M193-L225 WeakPolarHBondContact O-CA 3.38Å; I195-L225 HydrophobicContact CD1-CD2 3.82Å; I195-L225 HydrophobicContact CG1-CD2 4.48Å; I208-L225 HydrophobicContact CD1-CD1 3.87Å; I208-L225 HydrophobicContact CG1-CD1 3.39Å; L225-F227 HydrophobicContact CB-CD1 4.45Å; L225-F227 HydrophobicContact CB-CE1 3.63Å; L225-F227 HydrophobicContact CB-CZ 3.97Å; L225-F227 HydrophobicContact CD1-CE1 4.27Å; L225-G301 CarbonylContact O-C 3.58Å; L225-G301 WeakPolarHBondContact O-CA 3.21Å; L225-A302 PolarHBondContact N-O 2.91Å; L225-A302 PolarHBondContact O-N 2.87Å
226	I	91.8	Very high	83.5	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	118.3	175.1	-67.9	177	0	0	0	108.2	V192 M193 Q194 I195 L231 P233 Y238 V303	V192-I226 HydrophobicContact CG1-CD1 3.67Å; V192-I226 HydrophobicContact CG1-CG1 3.92Å; M193-I226 PolarHBondContact O-N 3.1Å; Q194-I226 CarbonylContact C-O 3.58Å; Q194-I226 WeakPolarHBondContact CA-O 3.46Å; Q194-I226 HydrophobicContact CG-CB 4.26Å; Q194-I226 HydrophobicContact CG-CG2 3.97Å; I195-I226 PolarHBondContact N-O 3.01Å; I226-L231 HydrophobicContact CD1-CB 4.48Å; I226-L231 HydrophobicContact CG2-CB 3.64Å; I226-L231 HydrophobicContact CG2-CD1 4.41Å; I226-L231 WeakPolarHBondContact CG2-O 3.4Å; I226-P233 HydrophobicContact CD1-CB 4.2Å; I226-P233 HydrophobicContact CD1-CG 4.21Å; I226-Y238 HydrophobicContact CD1-CD1 3.85Å; I226-Y238 HydrophobicContact CD1-CD2 3.97Å; I226-Y238 HydrophobicContact CD1-CE1 4.25Å; I226-Y238 HydrophobicContact CD1-CE2 4.37Å; I226-Y238 HydrophobicContact CD1-CG 3.7Å; I226-V303 HydrophobicContact CD1-CG2 4.27Å; I226-V303 HydrophobicContact CG1-CG2 4.03Å
227	F	88.9	Confident	84.8	Confident	14 Å²	14	56.8 Å²	56.8	6%	0.061	31%	0.307	C	S	.	.			trans	-92.5	-20.1	-176.9	-45.2	-53	0	0	0	113.2	I195 K197 L200 I208 L225 L299 F300	I195-F227 WeakPolarHBondContact O-CA 3.36Å; K197-F227 HydrophobicContact CB-CB 4.38Å; L200-F227 HydrophobicContact CD1-CD1 4.11Å; L200-F227 HydrophobicContact CD1-CE1 4.3Å; L200-F227 HydrophobicContact CD2-CD1 4.03Å; L200-F227 HydrophobicContact CD2-CE1 3.76Å; I208-F227 HydrophobicContact CD1-CE1 4.41Å; I208-F227 HydrophobicContact CD1-CZ 4.41Å; L225-F227 HydrophobicContact CB-CD1 4.45Å; L225-F227 HydrophobicContact CB-CE1 3.63Å; L225-F227 HydrophobicContact CB-CZ 3.97Å; L225-F227 HydrophobicContact CD1-CE1 4.27Å; F227-L299 HydrophobicContact CD2-CG 4.44Å; F227-L299 HydrophobicContact CE2-CD2 3.92Å; F227-L299 HydrophobicContact CE2-CG 4.22Å; F227-F300 WeakPolarHBondContact CA-O 3.46Å; F227-F300 PolarHBondContact N-O 2.86Å
228	H	90.7	Very high	86.2	Confident	28 Å²	28	53.2 Å²	53.2	13%	0.13	29%	0.285	C	S	.	.	S	Bend	trans	-104.2	121.4	-172.8	-169.5	-96.9	0	0	0	112.5	L230 L231 F268 F300	H228-L230 VanDerWaalsContact C-N 3.25Å; H228-L230 PolarHBondContact ND1-N 2.78Å; H228-L230 PolarHBondContact O-N 3.38Å; H228-L230 VanDerWaalsContact O-N 3.1Å; H228-L231 HydrophobicContact CB-CG 4.49Å; H228-L231 PolarHBondContact O-N 3.01Å; H228-F268 AromaticContact CE1-CE1 3.63Å; H228-F268 AromaticContact CE1-CZ 3.52Å; H228-F268 AromaticContact ND1-CE1 3.7Å; H228-F300 HydrophobicContact CB-CB 3.59Å; H228-F300 HydrophobicContact CB-CD1 3.68Å; H228-F300 HydrophobicContact CB-CG 3.75Å; H228-F300 AromaticContact CD2-CD1 3.57Å; H228-F300 AromaticContact CD2-CE1 3.55Å; H228-F300 AromaticContact CG-CD1 3.64Å; H228-F300 AromaticContact CG-CE1 4Å; H228-F300 AromaticContact CG-CG 3.92Å; H228-F300 PolarHBondContact N-O 2.86Å; H228-F300 VanDerWaalsContact N-O 3.13Å
229	H	91	Very high	87.9	Confident	123 Å²	123	50.5 Å²	50.5	57%	0.569	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-28.2	-174.5	66.4	-68.2	0	0	0	116	Q194 L231 H232	Q194-H229 PolarHBondContact NE2-O 3.33Å; Q194-H229 VanDerWaalsContact NE2-O 3.14Å; H229-L231 VanDerWaalsContact C-N 3.34Å; H229-H232 PolarHBondContact O-NE2 3.06Å
230	L	93.4	Very high	89.2	Confident	57 Å²	57	47 Å²	47	30%	0.298	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	3.2	178.8	-54.7	-178	0	0	0	114.9	H228 H232 S266 F268	H228-L230 VanDerWaalsContact C-N 3.25Å; H228-L230 PolarHBondContact ND1-N 2.78Å; H228-L230 PolarHBondContact O-N 3.38Å; H228-L230 VanDerWaalsContact O-N 3.1Å; L230-H232 PolarHBondContact O-ND1 2.83Å; L230-S266 PolarHBondContact O-OG 3.02Å; L230-F268 HydrophobicContact CB-CB 3.88Å; L230-F268 HydrophobicContact CB-CD1 3.92Å; L230-F268 HydrophobicContact CB-CD2 4.18Å; L230-F268 HydrophobicContact CB-CE1 4.48Å; L230-F268 HydrophobicContact CB-CG 3.74Å; L230-F268 HydrophobicContact CD1-CB 4.42Å; L230-F268 HydrophobicContact CD1-CD2 3.55Å; L230-F268 HydrophobicContact CD1-CE2 3.91Å; L230-F268 HydrophobicContact CD1-CG 4.01Å
231	L	94.1	Very high	90.5	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	-104.7	116.2	169.9	-56.6	-178	0	0	0	107.7	Q194 I226 H228 H229 P233 D263 F268 F300 F312	Q194-L231 PolarHBondContact NE2-O 3.08Å; I226-L231 HydrophobicContact CD1-CB 4.48Å; I226-L231 HydrophobicContact CG2-CB 3.64Å; I226-L231 HydrophobicContact CG2-CD1 4.41Å; I226-L231 WeakPolarHBondContact CG2-O 3.4Å; H228-L231 HydrophobicContact CB-CG 4.49Å; H228-L231 PolarHBondContact O-N 3.01Å; H229-L231 VanDerWaalsContact C-N 3.34Å; L231-P233 VanDerWaalsContact O-CD 3.3Å; L231-P233 WeakPolarHBondContact O-CD 3.21Å; L231-D263 HydrophobicContact CD2-CB 4.08Å; L231-F268 HydrophobicContact CD2-CD1 3.72Å; L231-F268 HydrophobicContact CD2-CE1 4.19Å; L231-F300 HydrophobicContact CD1-CB 3.68Å; L231-F300 HydrophobicContact CD1-CD2 4.47Å; L231-F300 HydrophobicContact CD1-CG 4.5Å; L231-F312 HydrophobicContact CD1-CB 3.77Å; L231-F312 HydrophobicContact CD1-CG 4.16Å
232	H	92	Very high	91.2	Very high	66 Å²	66	47.1 Å²	47.1	31%	0.306	25%	0.245	S	C	.	.			trans	-109.3	99.5	-166	-63.8	97.4	0	0	0	111.4	H229 L230 D263	H229-H232 PolarHBondContact O-NE2 3.06Å; L230-H232 PolarHBondContact O-ND1 2.83Å; H232-D263 PolarHBondContact N-OD2 2.86Å; H232-D263 IonicContact ND1-OD1 2.54Å; H232-D263 PolarHBondContact ND1-OD1 2.96Å; H232-D263 IonicContact ND1-OD2 2.65Å
233	P	91.5	Very high	91.5	Very high	35 Å²	35	47.4 Å²	47.4	23%	0.227	25%	0.246	C	C	.	.			trans	-65.6	135.7	168.7	28.4	-31.6	0	0	0	110.1	V192 Q194 I226 L231 Q237	V192-P233 HydrophobicContact CB-CB 4.26Å; V192-P233 HydrophobicContact CG1-CB 3.97Å; Q194-P233 HydrophobicContact CB-CG 3.97Å; I226-P233 HydrophobicContact CD1-CB 4.2Å; I226-P233 HydrophobicContact CD1-CG 4.21Å; L231-P233 VanDerWaalsContact O-CD 3.3Å; L231-P233 WeakPolarHBondContact O-CD 3.21Å; P233-Q237 CarbonylContact C-O 3.58Å; P233-Q237 VanDerWaalsContact CA-O 3.22Å; P233-Q237 WeakPolarHBondContact CA-O 3.28Å; P233-Q237 WeakPolarHBondContact CB-O 3.36Å
234	N	89.3	Confident	91.9	Very high	85 Å²	85	46.9 Å²	46.9	46%	0.455	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-110	129.3	180	158.6	39	0	0	0	108.5	F236 Q237 E243	N234-F236 PolarHBondContact O-N 2.81Å; N234-F236 VanDerWaalsContact O-N 3.12Å; N234-Q237 PolarHBondContact N-O 2.8Å; N234-Q237 PolarHBondContact O-N 2.91Å; N234-E243 HydrophobicContact CB-CG 3.7Å; N234-E243 PolarHBondContact ND2-OE1 2.56Å
235	S	87.2	Confident	92.2	Very high	89 Å²	89	51 Å²	51	62%	0.622	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	38.9	177.5	-54	0	0	0	0	113.2	Q237	S235-Q237 VanDerWaalsContact C-N 3.31Å; S235-Q237 PolarHBondContact O-N 3.19Å
236	F	88.5	Confident	92.5	Very high	100 Å²	100	52.9 Å²	52.9	44%	0.439	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	28.7	-172.8	-51.3	-79	0	0	0	115.6	R191 V192 M193 N234	R191-F236 CarbonylContact C-O 3.51Å; R191-F236 WeakPolarHBondContact CA-O 3.37Å; R191-F236 HydrophobicContact CB-CB 3.96Å; R191-F236 HydrophobicContact CG-CB 4Å; R191-F236 HydrophobicContact CG-CG 4.44Å; V192-F236 PolarHBondContact N-O 2.75Å; M193-F236 HydrophobicContact CE-CD1 4.49Å; M193-F236 HydrophobicContact CE-CE1 4.25Å; M193-F236 HydrophobicContact SD-CD1 3.69Å; M193-F236 HydrophobicContact SD-CE1 4.03Å; N234-F236 PolarHBondContact O-N 2.81Å; N234-F236 VanDerWaalsContact O-N 3.12Å
237	Q	91.6	Very high	92.6	Very high	65 Å²	65	55.8 Å²	55.8	30%	0.304	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-131.7	157.1	176.8	-69.3	176.3	81.9	0	0	111.5	N222 P233 N234 S235 R239	N222-Q237 VanDerWaalsContact OD1-CA 3.28Å; N222-Q237 WeakPolarHBondContact OD1-CA 3.47Å; P233-Q237 CarbonylContact C-O 3.58Å; P233-Q237 VanDerWaalsContact CA-O 3.22Å; P233-Q237 WeakPolarHBondContact CA-O 3.28Å; P233-Q237 WeakPolarHBondContact CB-O 3.36Å; N234-Q237 PolarHBondContact N-O 2.8Å; N234-Q237 PolarHBondContact O-N 2.91Å; S235-Q237 VanDerWaalsContact C-N 3.31Å; S235-Q237 PolarHBondContact O-N 3.19Å; Q237-R239 VanDerWaalsContact OE1-CZ 3.26Å
238	Y	94.9	Very high	92.6	Very high	1 Å²	1	57.4 Å²	57.4	0%	0.004	30%	0.295	C	S	.	.			trans	-151.5	99	174.1	-162.3	-108.6	0	0	0	109.9	N222 I226 E243 Y244 D263 V303 F312	N222-Y238 PolarHBondContact ND2-O 3.03Å; N222-Y238 PolarHBondContact OD1-N 3.17Å; I226-Y238 HydrophobicContact CD1-CD1 3.85Å; I226-Y238 HydrophobicContact CD1-CD2 3.97Å; I226-Y238 HydrophobicContact CD1-CE1 4.25Å; I226-Y238 HydrophobicContact CD1-CE2 4.37Å; I226-Y238 HydrophobicContact CD1-CG 3.7Å; Y238-E243 WeakPolarHBondContact CA-OE2 3.35Å; Y238-E243 HydrophobicContact CD2-CB 3.39Å; Y238-E243 HydrophobicContact CD2-CG 3.97Å; Y238-E243 HydrophobicContact CE2-CB 3.74Å; Y238-E243 HydrophobicContact CG-CB 4.13Å; Y238-Y244 AromaticContact CD1-CD1 3.72Å; Y238-Y244 HydrophobicContact CD1-CD1 3.72Å; Y238-Y244 HydrophobicContact CD1-CE1 4.05Å; Y238-Y244 AromaticContact CE1-CD1 3.49Å; Y238-Y244 HydrophobicContact CE1-CD1 3.49Å; Y238-Y244 VanDerWaalsContact CE1-CD1 3.49Å; Y238-Y244 HydrophobicContact CE1-CE1 4.12Å; Y238-Y244 HydrophobicContact CE1-CG 4.21Å; Y238-Y244 HydrophobicContact CG-CD1 4.37Å; Y238-Y244 AromaticContact CZ-CD1 3.96Å; Y238-D263 PolarHBondContact OH-OD2 2.94Å; Y238-V303 HydrophobicContact CD1-CG2 4.25Å; Y238-F312 AromaticContact CD1-CE2 3.79Å; Y238-F312 HydrophobicContact CD1-CE2 3.79Å; Y238-F312 AromaticContact CD1-CZ 3.75Å; Y238-F312 HydrophobicContact CD1-CZ 3.75Å; Y238-F312 HydrophobicContact CE1-CD1 4.36Å; Y238-F312 HydrophobicContact CE1-CD2 4.3Å; Y238-F312 AromaticContact CE1-CE1 3.8Å; Y238-F312 HydrophobicContact CE1-CE1 3.8Å; Y238-F312 AromaticContact CE1-CE2 3.74Å; Y238-F312 HydrophobicContact CE1-CE2 3.74Å; Y238-F312 AromaticContact CE1-CZ 3.46Å; Y238-F312 HydrophobicContact CE1-CZ 3.46Å; Y238-F312 VanDerWaalsContact CE1-CZ 3.46Å
239	R	93.9	Very high	92.5	Very high	66 Å²	66	59.7 Å²	59.7	25%	0.249	31%	0.305	C	S	.	.			trans	-123.1	155.9	-170.6	-62.2	175.6	-178.4	-76.3	2.8	114.3	N222 Q237 G241 E242 E243 Y244 D305	N222-R239 VanDerWaalsContact CB-CZ 3.47Å; N222-R239 WeakPolarHBondContact ND2-CG 3.47Å; Q237-R239 VanDerWaalsContact OE1-CZ 3.26Å; R239-G241 PolarHBondContact O-N 2.82Å; R239-E242 HydrophobicContact CB-CB 4.19Å; R239-E242 HydrophobicContact CB-CG 4.46Å; R239-E242 WeakPolarHBondContact CD-OE2 3.38Å; R239-E242 PolarHBondContact O-N 3.24Å; R239-E243 PolarHBondContact N-OE2 2.67Å; R239-E243 PolarHBondContact O-N 2.91Å; R239-E243 VanDerWaalsContact O-N 3.13Å; R239-Y244 WeakPolarHBondContact O-CD1 3.43Å; R239-Y244 PolarHBondContact O-N 3.39Å; R239-D305 IonicContact CZ-OD1 2.64Å; R239-D305 IonicContact NH1-OD1 3.69Å; R239-D305 PolarHBondContact NH1-OD1 2.71Å
240	E	93.9	Very high	92.1	Very high	83 Å²	83	54.4 Å²	54.4	39%	0.388	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-66.6	117.4	170.9	-161.1	172.5	141	0	0	110.2	Y244 V246 R274	E240-Y244 HydrophobicContact CB-CE1 4.47Å; E240-Y244 HydrophobicContact CB-CE2 3.91Å; E240-Y244 HydrophobicContact CG-CE2 3.85Å; E240-V246 HydrophobicContact CG-CG2 4.05Å; E240-R274 IonicContact OE1-NH1 2.66Å; E240-R274 PolarHBondContact OE1-NH1 2.9Å; E240-R274 IonicContact OE2-NH1 2.68Å; E240-R274 PolarHBondContact OE2-NH1 3.06Å
241	G	92.5	Very high	91.3	Very high	39 Å²	39	53.2 Å²	53.2	40%	0.402	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.6	-21.9	-177.7	0	0	0	0	0	115.2	R239 Y244 F245	R239-G241 PolarHBondContact O-N 2.82Å; G241-Y244 PolarHBondContact N-O 2.62Å; G241-F245 VanDerWaalsContact O-CE1 3.26Å; G241-F245 WeakPolarHBondContact O-CE1 3.33Å
242	E	93.3	Very high	90.3	Very high	105 Å²	105	58.1 Å²	58.1	49%	0.491	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-52.8	-178.7	-55.1	-165.4	155.3	0	0	112.3	R239 K264	R239-E242 HydrophobicContact CB-CB 4.19Å; R239-E242 HydrophobicContact CB-CG 4.46Å; R239-E242 WeakPolarHBondContact CD-OE2 3.38Å; R239-E242 PolarHBondContact O-N 3.24Å; E242-K264 WeakPolarHBondContact O-CD 3.48Å; E242-K264 WeakPolarHBondContact O-CE 3.45Å; E242-K264 PolarHBondContact O-NZ 3.48Å
243	E	96	Very high	88.8	Confident	9 Å²	9	55.7 Å²	55.7	4%	0.042	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-26.8	176.4	-73.7	67.5	-131.9	0	0	113.5	N234 Y238 R239 K264	N234-E243 HydrophobicContact CB-CG 3.7Å; N234-E243 PolarHBondContact ND2-OE1 2.56Å; Y238-E243 WeakPolarHBondContact CA-OE2 3.35Å; Y238-E243 HydrophobicContact CD2-CB 3.39Å; Y238-E243 HydrophobicContact CD2-CG 3.97Å; Y238-E243 HydrophobicContact CE2-CB 3.74Å; Y238-E243 HydrophobicContact CG-CB 4.13Å; R239-E243 PolarHBondContact N-OE2 2.67Å; R239-E243 PolarHBondContact O-N 2.91Å; R239-E243 VanDerWaalsContact O-N 3.13Å; E243-K264 WeakPolarHBondContact O-CB 3.43Å; E243-K264 PolarHBondContact O-N 2.93Å
244	Y	96.9	Very high	87.2	Confident	3 Å²	3	56 Å²	56	1%	0.012	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	152.6	175.5	73.1	-93.9	0	0	0	112.6	Y238 R239 E240 G241 V261 R262 F312	Y238-Y244 AromaticContact CD1-CD1 3.72Å; Y238-Y244 HydrophobicContact CD1-CD1 3.72Å; Y238-Y244 HydrophobicContact CD1-CE1 4.05Å; Y238-Y244 AromaticContact CE1-CD1 3.49Å; Y238-Y244 HydrophobicContact CE1-CD1 3.49Å; Y238-Y244 VanDerWaalsContact CE1-CD1 3.49Å; Y238-Y244 HydrophobicContact CE1-CE1 4.12Å; Y238-Y244 HydrophobicContact CE1-CG 4.21Å; Y238-Y244 HydrophobicContact CG-CD1 4.37Å; Y238-Y244 AromaticContact CZ-CD1 3.96Å; R239-Y244 WeakPolarHBondContact O-CD1 3.43Å; R239-Y244 PolarHBondContact O-N 3.39Å; E240-Y244 HydrophobicContact CB-CE1 4.47Å; E240-Y244 HydrophobicContact CB-CE2 3.91Å; E240-Y244 HydrophobicContact CG-CE2 3.85Å; G241-Y244 PolarHBondContact N-O 2.62Å; Y244-V261 HydrophobicContact CD2-CB 3.96Å; Y244-V261 HydrophobicContact CD2-CG1 3.91Å; Y244-V261 HydrophobicContact CE2-CG1 4.02Å; Y244-R262 CarbonylContact C-O 3.54Å; Y244-R262 VanDerWaalsContact CA-O 3.23Å; Y244-R262 WeakPolarHBondContact CA-O 3.35Å; Y244-R262 WeakPolarHBondContact CB-O 3.3Å; Y244-F312 HydrophobicContact CD1-CE1 4.21Å; Y244-F312 HydrophobicContact CD1-CZ 4.01Å; Y244-F312 HydrophobicContact CD2-CE1 4.47Å; Y244-F312 HydrophobicContact CE1-CE1 4.08Å; Y244-F312 AromaticContact CE1-CZ 3.59Å; Y244-F312 HydrophobicContact CE1-CZ 3.59Å; Y244-F312 HydrophobicContact CE2-CE1 4.36Å; Y244-F312 HydrophobicContact CG-CE1 4.41Å; Y244-F312 AromaticContact CZ-CZ 3.89Å
245	F	96.2	Very high	86	Confident	91 Å²	91	54.1 Å²	54.1	40%	0.399	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133.9	176.8	-59.8	-66.8	0	0	0	111.3	G241 L247 V261 R262 K264	G241-F245 VanDerWaalsContact O-CE1 3.26Å; G241-F245 WeakPolarHBondContact O-CE1 3.33Å; F245-L247 PolarHBondContact O-N 3Å; F245-V261 CarbonylContact O-C 3.55Å; F245-V261 VanDerWaalsContact O-CA 3.26Å; F245-V261 WeakPolarHBondContact O-CA 3.28Å; F245-R262 PolarHBondContact N-O 2.97Å; F245-R262 PolarHBondContact O-N 3.33Å; F245-K264 HydrophobicContact CD2-CB 4.45Å; F245-K264 HydrophobicContact CE2-CB 4.04Å; F245-K264 HydrophobicContact CE2-CD 3.89Å; F245-K264 HydrophobicContact CE2-CG 3.79Å; F245-K264 HydrophobicContact CZ-CD 3.95Å; F245-K264 HydrophobicContact CZ-CG 4.35Å
246	V	95.4	Very high	85.4	Confident	51 Å²	51	50.2 Å²	50.2	31%	0.309	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	125.7	164.2	173	0	0	0	0	109	E240 F259 V261	E240-V246 HydrophobicContact CG-CG2 4.05Å; V246-F259 HydrophobicContact CG1-CB 4.16Å; V246-F259 HydrophobicContact CG1-CD1 3.72Å; V246-F259 HydrophobicContact CG1-CG 4.26Å; V246-F259 HydrophobicContact CG2-CB 4.33Å; V246-F259 HydrophobicContact CG2-CD1 4.43Å; V246-F259 HydrophobicContact CG2-CG 4.38Å; V246-V261 HydrophobicContact CG2-CG1 4.04Å
247	L	92.9	Very high	85.3	Confident	61 Å²	61	47.8 Å²	47.8	32%	0.319	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-44.7	175.8	-58.2	-173.4	0	0	0	111.7	F245 C260 R262 K269	F245-L247 PolarHBondContact O-N 3Å; L247-C260 WeakPolarHBondContact CB-O 3.28Å; L247-C260 PolarHBondContact N-O 3.34Å; L247-R262 HydrophobicContact CD1-CB 4.12Å; L247-R262 HydrophobicContact CD2-CB 4.01Å; L247-R262 HydrophobicContact CG-CB 4.12Å; L247-K269 HydrophobicContact CD1-CD 4.08Å; L247-K269 HydrophobicContact CD1-CG 4.18Å
248	H	89.1	Confident	85.2	Confident	48 Å²	48	44.7 Å²	44.7	22%	0.222	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	153.5	173.3	51.1	-100.7	0	0	0	110.4	C260	H248-C260 PolarHBondContact N-O 3.15Å; H248-C260 VanDerWaalsContact NE2-CB 3.27Å; H248-C260 WeakPolarHBondContact NE2-CB 3.38Å; H248-C260 PolarHBondContact O-N 3.39Å
249	H	88.5	Confident	85.1	Confident	76 Å²	76	45.7 Å²	45.7	35%	0.352	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	137.1	164	172.4	-99.1	0	0	0	109.6	Q251 N252 F259	H249-Q251 VanDerWaalsContact CE1-C 3.46Å; H249-Q251 PolarHBondContact CE1-N 2.77Å; H249-Q251 PolarHBondContact NE2-O 3.26Å; H249-N252 PolarHBondContact CE1-N 2.85Å; H249-N252 VanDerWaalsContact CE1-N 3.33Å; H249-N252 PolarHBondContact CE1-OD1 2.97Å; H249-N252 VanDerWaalsContact CE1-OD1 3.27Å; H249-N252 PolarHBondContact NE2-N 3.44Å; H249-N252 PolarHBondContact NE2-ND2 3.49Å; H249-F259 HydrophobicContact CB-CD1 3.96Å; H249-F259 HydrophobicContact CB-CE1 3.94Å; H249-F259 AromaticContact CD2-CE1 3.71Å
250	I	84	Confident	85.2	Confident	13 Å²	13	42.6 Å²	42.6	7%	0.067	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-54.9	176.6	-63.2	174.5	0	0	0	109.6	V258 C260 L315 F555 W556 V557	I250-V258 WeakPolarHBondContact CA-O 3.49Å; I250-V258 WeakPolarHBondContact CB-O 3.3Å; I250-V258 PolarHBondContact N-O 3.13Å; I250-C260 HydrophobicContact CD1-CB 3.86Å; I250-C260 HydrophobicContact CG1-CB 3.96Å; I250-L315 HydrophobicContact CD1-CD1 3.72Å; I250-F555 WeakPolarHBondContact CG2-O 3.31Å; I250-W556 HydrophobicContact CG2-CD2 4.24Å; I250-W556 HydrophobicContact CG2-CE3 3.57Å; I250-W556 HydrophobicContact CG2-CZ3 4.24Å; I250-W556 WeakPolarHBondContact O-CZ3 3.31Å; I250-V557 HydrophobicContact CD1-CG2 4.45Å
251	Q	75.3	Confident	85.3	Confident	31 Å²	31	38.7 Å²	38.7	15%	0.145	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	121	-157.5	173.6	68.6	67.7	0	0	111.4	H249 V258 S558	H249-Q251 VanDerWaalsContact CE1-C 3.46Å; H249-Q251 PolarHBondContact CE1-N 2.77Å; H249-Q251 PolarHBondContact NE2-O 3.26Å; Q251-V258 HydrophobicContact CB-CB 4.23Å; Q251-V258 HydrophobicContact CB-CG2 4.39Å; Q251-V258 PolarHBondContact N-O 2.68Å; Q251-V258 VanDerWaalsContact N-O 3.15Å; Q251-V258 PolarHBondContact O-N 3.2Å; Q251-S558 VanDerWaalsContact CG-O 3.29Å; Q251-S558 WeakPolarHBondContact CG-O 3.41Å
252	N	72.9	Confident	85.6	Confident	103 Å²	103	41.5 Å²	41.5	55%	0.551	21%	0.208	S	C	*	.			trans	-72.3	140.7	167.6	-61.7	104.6	0	0	0	109.6	H249 D257	H249-N252 PolarHBondContact CE1-N 2.85Å; H249-N252 VanDerWaalsContact CE1-N 3.33Å; H249-N252 PolarHBondContact CE1-OD1 2.97Å; H249-N252 VanDerWaalsContact CE1-OD1 3.27Å; H249-N252 PolarHBondContact NE2-N 3.44Å; H249-N252 PolarHBondContact NE2-ND2 3.49Å; N252-D257 VanDerWaalsContact CA-OD1 3.32Å; N252-D257 WeakPolarHBondContact CA-OD1 3.22Å; N252-D257 PolarHBondContact ND2-OD1 2.75Å
253	G	62	Low	85.8	Confident	16 Å²	16	36.5 Å²	36.5	17%	0.165	18%	0.184	C	C	.	.			trans	-137.2	144.2	-179.5	0	0	0	0	0	113	Y255 G256 W560	G253-Y255 PolarHBondContact O-N 3.03Å; G253-G256 VanDerWaalsContact CA-O 3.27Å; G253-G256 WeakPolarHBondContact CA-O 3.35Å; G253-G256 PolarHBondContact N-O 3.21Å; G253-G256 CarbonylContact O-C 3.58Å; G253-G256 PolarHBondContact O-N 3.48Å; G253-W560 WeakPolarHBondContact CA-O 3.35Å
254	S	57.3	Low	85.8	Confident	42 Å²	42	41.7 Å²	41.7	29%	0.294	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-16.9	-176.9	51.9	0	0	0	0	115.3	W560 T562	S254-W560 PolarHBondContact N-O 3.28Å; S254-W560 PolarHBondContact OG-O 3.02Å; S254-T562 WeakPolarHBondContact CB-O 3.42Å; S254-T562 PolarHBondContact OG-N 3.02Å; S254-T562 PolarHBondContact OG-O 3.26Å
255	Y	64.2	Low	85.7	Confident	44 Å²	44	45.7 Å²	45.7	17%	0.173	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	9.8	175.2	-51.5	-76.1	0	0	0	112.5	G253 I275 W560 A564	G253-Y255 PolarHBondContact O-N 3.03Å; Y255-I275 WeakPolarHBondContact O-CA 3.39Å; Y255-I275 WeakPolarHBondContact O-CG2 3.27Å; Y255-W560 HydrophobicContact CD2-CE3 4.2Å; Y255-A564 HydrophobicContact CD1-CB 4.45Å; Y255-A564 HydrophobicContact CE1-CB 3.94Å
256	G	73.8	Confident	85.7	Confident	8 Å²	8	43.9 Å²	43.9	8%	0.082	23%	0.234	C	C	.	.			trans	147.3	144.1	-177.6	0	0	0	0	0	114	G253 R274	G253-G256 VanDerWaalsContact CA-O 3.27Å; G253-G256 WeakPolarHBondContact CA-O 3.35Å; G253-G256 PolarHBondContact N-O 3.21Å; G253-G256 CarbonylContact O-C 3.58Å; G253-G256 PolarHBondContact O-N 3.48Å; G256-R274 CarbonylContact C-O 3.49Å; G256-R274 WeakPolarHBondContact CA-O 3.13Å
257	D	86.5	Confident	85.7	Confident	49 Å²	49	43.1 Å²	43.1	26%	0.262	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	149.3	177	-62.1	-43.9	0	0	0	111.7	N252 F259 K273 R274	N252-D257 VanDerWaalsContact CA-OD1 3.32Å; N252-D257 WeakPolarHBondContact CA-OD1 3.22Å; N252-D257 PolarHBondContact ND2-OD1 2.75Å; D257-F259 HydrophobicContact CB-CD2 4.49Å; D257-F259 HydrophobicContact CB-CE2 3.54Å; D257-F259 HydrophobicContact CB-CZ 3.66Å; D257-K273 CarbonylContact O-C 3.57Å; D257-K273 WeakPolarHBondContact O-CA 3.42Å; D257-R274 PolarHBondContact N-O 2.85Å; D257-R274 PolarHBondContact O-N 2.76Å
258	V	90.1	Very high	85.9	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	135.1	176.1	-161.3	0	0	0	0	111.1	I250 Q251 A271 A272 K273 V557	I250-V258 WeakPolarHBondContact CA-O 3.49Å; I250-V258 WeakPolarHBondContact CB-O 3.3Å; I250-V258 PolarHBondContact N-O 3.13Å; Q251-V258 HydrophobicContact CB-CB 4.23Å; Q251-V258 HydrophobicContact CB-CG2 4.39Å; Q251-V258 PolarHBondContact N-O 2.68Å; Q251-V258 VanDerWaalsContact N-O 3.15Å; Q251-V258 PolarHBondContact O-N 3.2Å; V258-A271 HydrophobicContact CG1-CB 4.23Å; V258-A272 CarbonylContact C-O 3.34Å; V258-A272 WeakPolarHBondContact CA-O 3.5Å; V258-K273 HydrophobicContact CG1-CB 4.49Å; V258-K273 HydrophobicContact CG2-CB 4.17Å; V258-K273 HydrophobicContact CG2-CG 4.22Å; V258-V557 HydrophobicContact CB-CB 4.48Å; V258-V557 HydrophobicContact CG1-CB 3.89Å; V258-V557 HydrophobicContact CG1-CG1 4.14Å; V258-V557 HydrophobicContact CG1-CG2 3.98Å; V258-V557 HydrophobicContact CG2-CG1 4.39Å
259	F	93.6	Very high	86.2	Confident	21 Å²	21	44.4 Å²	44.4	9%	0.092	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	148.1	-177.5	-57.7	-90	0	0	0	111.3	V246 H249 D257 V261 A271 A272 R274	V246-F259 HydrophobicContact CG1-CB 4.16Å; V246-F259 HydrophobicContact CG1-CD1 3.72Å; V246-F259 HydrophobicContact CG1-CG 4.26Å; V246-F259 HydrophobicContact CG2-CB 4.33Å; V246-F259 HydrophobicContact CG2-CD1 4.43Å; V246-F259 HydrophobicContact CG2-CG 4.38Å; H249-F259 HydrophobicContact CB-CD1 3.96Å; H249-F259 HydrophobicContact CB-CE1 3.94Å; H249-F259 AromaticContact CD2-CE1 3.71Å; D257-F259 HydrophobicContact CB-CD2 4.49Å; D257-F259 HydrophobicContact CB-CE2 3.54Å; D257-F259 HydrophobicContact CB-CZ 3.66Å; F259-V261 HydrophobicContact CB-CG1 4.11Å; F259-A271 CarbonylContact O-C 3.55Å; F259-A271 WeakPolarHBondContact O-CA 3.33Å; F259-A272 PolarHBondContact N-O 2.92Å; F259-A272 PolarHBondContact O-N 3.46Å; F259-R274 HydrophobicContact CE2-CB 4.17Å
260	C	95.3	Very high	86.6	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.007	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	118.2	162.7	-176.4	0	0	0	0	106.9	L247 H248 I250	L247-C260 WeakPolarHBondContact CB-O 3.28Å; L247-C260 PolarHBondContact N-O 3.34Å; H248-C260 PolarHBondContact N-O 3.15Å; H248-C260 VanDerWaalsContact NE2-CB 3.27Å; H248-C260 WeakPolarHBondContact NE2-CB 3.38Å; H248-C260 PolarHBondContact O-N 3.39Å; I250-C260 HydrophobicContact CD1-CB 3.86Å; I250-C260 HydrophobicContact CG1-CB 3.96Å
261	V	96.8	Very high	87.2	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	164.6	-178.6	-60.5	0	0	0	0	111.3	Y244 F245 V246 F259 K269 C270 A272 F312	Y244-V261 HydrophobicContact CD2-CB 3.96Å; Y244-V261 HydrophobicContact CD2-CG1 3.91Å; Y244-V261 HydrophobicContact CE2-CG1 4.02Å; F245-V261 CarbonylContact O-C 3.55Å; F245-V261 VanDerWaalsContact O-CA 3.26Å; F245-V261 WeakPolarHBondContact O-CA 3.28Å; V246-V261 HydrophobicContact CG2-CG1 4.04Å; F259-V261 HydrophobicContact CB-CG1 4.11Å; V261-K269 WeakPolarHBondContact O-CA 3.22Å; V261-C270 WeakPolarHBondContact CG2-O 3.16Å; V261-C270 WeakPolarHBondContact CG2-SG 3.46Å; V261-C270 PolarHBondContact N-O 2.87Å; V261-C270 PolarHBondContact O-N 2.69Å; V261-C270 VanDerWaalsContact O-N 3.16Å; V261-A272 HydrophobicContact CB-CB 4.38Å; V261-A272 HydrophobicContact CG1-CB 3.59Å; V261-A272 HydrophobicContact CG2-CB 3.83Å; V261-F312 HydrophobicContact CG2-CD1 4.16Å; V261-F312 HydrophobicContact CG2-CE1 4.18Å
262	R	97.6	Very high	88.2	Confident	99 Å²	99	38.9 Å²	38.9	37%	0.374	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	125.7	173.4	-159.9	-170.9	-52	-174.8	5.8	111.2	Y244 F245 L247 G267 F268 K269	Y244-R262 CarbonylContact C-O 3.54Å; Y244-R262 VanDerWaalsContact CA-O 3.23Å; Y244-R262 WeakPolarHBondContact CA-O 3.35Å; Y244-R262 WeakPolarHBondContact CB-O 3.3Å; F245-R262 PolarHBondContact N-O 2.97Å; F245-R262 PolarHBondContact O-N 3.33Å; L247-R262 HydrophobicContact CD1-CB 4.12Å; L247-R262 HydrophobicContact CD2-CB 4.01Å; L247-R262 HydrophobicContact CG-CB 4.12Å; R262-G267 WeakPolarHBondContact CD-O 3.36Å; R262-G267 WeakPolarHBondContact CG-O 2.99Å; R262-F268 CarbonylContact C-O 3.5Å; R262-F268 VanDerWaalsContact CA-O 3.27Å; R262-F268 WeakPolarHBondContact CA-O 3.47Å; R262-F268 WeakPolarHBondContact CG-O 3.48Å; R262-K269 HydrophobicContact CG-CG 4.2Å
263	D	97.6	Very high	89.1	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	130.7	165.6	174.9	-93.8	0	0	0	109.3	L231 H232 Y238 S265 S266 G267 F268	L231-D263 HydrophobicContact CD2-CB 4.08Å; H232-D263 PolarHBondContact N-OD2 2.86Å; H232-D263 IonicContact ND1-OD1 2.54Å; H232-D263 PolarHBondContact ND1-OD1 2.96Å; H232-D263 IonicContact ND1-OD2 2.65Å; Y238-D263 PolarHBondContact OH-OD2 2.94Å; D263-S265 PolarHBondContact OD1-N 3.32Å; D263-S266 VanDerWaalsContact OD1-CB 3.28Å; D263-S266 WeakPolarHBondContact OD1-CB 3.49Å; D263-S266 PolarHBondContact OD1-N 2.88Å; D263-S266 PolarHBondContact OD1-OG 3.32Å; D263-G267 WeakPolarHBondContact O-CA 3.42Å; D263-G267 PolarHBondContact O-N 2.79Å; D263-F268 PolarHBondContact N-O 2.92Å
264	K	96.2	Very high	90.5	Very high	117 Å²	117	36.4 Å²	36.4	51%	0.509	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-33	-172.7	176.8	177.3	175.3	-179.9	0	113	E242 E243 F245	E242-K264 WeakPolarHBondContact O-CD 3.48Å; E242-K264 WeakPolarHBondContact O-CE 3.45Å; E242-K264 PolarHBondContact O-NZ 3.48Å; E243-K264 WeakPolarHBondContact O-CB 3.43Å; E243-K264 PolarHBondContact O-N 2.93Å; F245-K264 HydrophobicContact CD2-CB 4.45Å; F245-K264 HydrophobicContact CE2-CB 4.04Å; F245-K264 HydrophobicContact CE2-CD 3.89Å; F245-K264 HydrophobicContact CE2-CG 3.79Å; F245-K264 HydrophobicContact CZ-CD 3.95Å; F245-K264 HydrophobicContact CZ-CG 4.35Å
265	S	94.4	Very high	92.1	Very high	88 Å²	88	34.5 Å²	34.5	62%	0.615	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-41.4	-172.6	-56	0	0	0	0	112.2	D263	D263-S265 PolarHBondContact OD1-N 3.32Å
266	S	95.8	Very high	93.3	Very high	52 Å²	52	34.6 Å²	34.6	36%	0.364	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-23	179.3	66.2	0	0	0	0	114.4	L230 D263 F268	L230-S266 PolarHBondContact O-OG 3.02Å; D263-S266 VanDerWaalsContact OD1-CB 3.28Å; D263-S266 WeakPolarHBondContact OD1-CB 3.49Å; D263-S266 PolarHBondContact OD1-N 2.88Å; D263-S266 PolarHBondContact OD1-OG 3.32Å; S266-F268 PolarHBondContact O-N 2.89Å; S266-F268 WeakPolarHBondContact OG-CB 3.05Å; S266-F268 PolarHBondContact OG-N 3.33Å
267	G	95.4	Very high	93.8	Very high	36 Å²	36	35.4 Å²	35.4	37%	0.371	19%	0.187	S	C	.	.			trans	72.2	6	-166.5	0	0	0	0	0	114.6	R262 D263	R262-G267 WeakPolarHBondContact CD-O 3.36Å; R262-G267 WeakPolarHBondContact CG-O 2.99Å; D263-G267 WeakPolarHBondContact O-CA 3.42Å; D263-G267 PolarHBondContact O-N 2.79Å
268	F	97.1	Very high	93.7	Very high	53 Å²	53	37.7 Å²	37.7	23%	0.232	21%	0.206	C	C	.	.			trans	-62.5	139	178.4	-179.4	-111.2	0	0	0	111.3	H228 L230 L231 R262 D263 S266 C270 F300	H228-F268 AromaticContact CE1-CE1 3.63Å; H228-F268 AromaticContact CE1-CZ 3.52Å; H228-F268 AromaticContact ND1-CE1 3.7Å; L230-F268 HydrophobicContact CB-CB 3.88Å; L230-F268 HydrophobicContact CB-CD1 3.92Å; L230-F268 HydrophobicContact CB-CD2 4.18Å; L230-F268 HydrophobicContact CB-CE1 4.48Å; L230-F268 HydrophobicContact CB-CG 3.74Å; L230-F268 HydrophobicContact CD1-CB 4.42Å; L230-F268 HydrophobicContact CD1-CD2 3.55Å; L230-F268 HydrophobicContact CD1-CE2 3.91Å; L230-F268 HydrophobicContact CD1-CG 4.01Å; L231-F268 HydrophobicContact CD2-CD1 3.72Å; L231-F268 HydrophobicContact CD2-CE1 4.19Å; R262-F268 CarbonylContact C-O 3.5Å; R262-F268 VanDerWaalsContact CA-O 3.27Å; R262-F268 WeakPolarHBondContact CA-O 3.47Å; R262-F268 WeakPolarHBondContact CG-O 3.48Å; D263-F268 PolarHBondContact N-O 2.92Å; S266-F268 PolarHBondContact O-N 2.89Å; S266-F268 WeakPolarHBondContact OG-CB 3.05Å; S266-F268 PolarHBondContact OG-N 3.33Å; F268-C270 HydrophobicContact CE1-CB 4.06Å; F268-F300 HydrophobicContact CE1-CD2 4.04Å; F268-F300 AromaticContact CE1-CE2 3.62Å; F268-F300 HydrophobicContact CE1-CE2 3.62Å; F268-F300 HydrophobicContact CE1-CZ 4.27Å; F268-F300 AromaticContact CZ-CE2 3.68Å; F268-F300 HydrophobicContact CZ-CE2 3.68Å; F268-F300 AromaticContact CZ-CZ 3.94Å; F268-F300 HydrophobicContact CZ-CZ 3.94Å
269	K	97.1	Very high	93.3	Very high	83 Å²	83	41.2 Å²	41.2	36%	0.361	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	133.6	179.5	-63	-179.5	-174	174.6	0	110.4	L247 V261 R262 L315	L247-K269 HydrophobicContact CD1-CD 4.08Å; L247-K269 HydrophobicContact CD1-CG 4.18Å; V261-K269 WeakPolarHBondContact O-CA 3.22Å; R262-K269 HydrophobicContact CG-CG 4.2Å; K269-L315 HydrophobicContact CB-CD2 4.24Å
270	C	96.5	Very high	92.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	173.6	173.5	62.4	0	0	0	0	110.5	V261 F268 F300 M313	V261-C270 WeakPolarHBondContact CG2-O 3.16Å; V261-C270 WeakPolarHBondContact CG2-SG 3.46Å; V261-C270 PolarHBondContact N-O 2.87Å; V261-C270 PolarHBondContact O-N 2.69Å; V261-C270 VanDerWaalsContact O-N 3.16Å; F268-C270 HydrophobicContact CE1-CB 4.06Å; C270-F300 HydrophobicContact CB-CD2 3.73Å; C270-F300 HydrophobicContact CB-CE2 3.81Å; C270-M313 WeakPolarHBondContact CB-O 3.35Å
271	A	95.9	Very high	92.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	147.4	167.6	0	0	0	0	0	110.3	V258 F259 F312 M313 L315 V557	V258-A271 HydrophobicContact CG1-CB 4.23Å; F259-A271 CarbonylContact O-C 3.55Å; F259-A271 WeakPolarHBondContact O-CA 3.33Å; A271-F312 CarbonylContact O-C 3.55Å; A271-F312 WeakPolarHBondContact O-CA 3.48Å; A271-M313 HydrophobicContact CB-CG 3.63Å; A271-M313 HydrophobicContact CB-SD 4.41Å; A271-M313 PolarHBondContact N-O 3.36Å; A271-M313 PolarHBondContact O-N 3.13Å; A271-L315 HydrophobicContact CB-CD1 3.8Å; A271-V557 HydrophobicContact CB-CG2 3.53Å
272	A	95.4	Very high	91.4	Very high	3 Å²	3	44.6 Å²	44.6	3%	0.025	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	113.4	174.5	0	0	0	0	0	110	V258 F259 V261 V310 L311 F312	V258-A272 CarbonylContact C-O 3.34Å; V258-A272 WeakPolarHBondContact CA-O 3.5Å; F259-A272 PolarHBondContact N-O 2.92Å; F259-A272 PolarHBondContact O-N 3.46Å; V261-A272 HydrophobicContact CB-CB 4.38Å; V261-A272 HydrophobicContact CG1-CB 3.59Å; V261-A272 HydrophobicContact CG2-CB 3.83Å; A272-V310 HydrophobicContact CB-CG1 3.75Å; A272-L311 CarbonylContact C-O 3.55Å; A272-L311 WeakPolarHBondContact CA-O 3.23Å; A272-F312 HydrophobicContact CB-CD1 3.9Å; A272-F312 HydrophobicContact CB-CE1 3.83Å
273	K	92.8	Very high	90.4	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.009	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	113.9	172.5	177.8	-164.5	177	-158	0	108.2	D257 V258 I275 E284 V310 L311 M313 W560	D257-K273 CarbonylContact O-C 3.57Å; D257-K273 WeakPolarHBondContact O-CA 3.42Å; V258-K273 HydrophobicContact CG1-CB 4.49Å; V258-K273 HydrophobicContact CG2-CB 4.17Å; V258-K273 HydrophobicContact CG2-CG 4.22Å; K273-I275 HydrophobicContact CD-CD1 3.89Å; K273-I275 HydrophobicContact CD-CG1 3.99Å; K273-I275 HydrophobicContact CG-CD1 4.37Å; K273-I275 HydrophobicContact CG-CG1 3.97Å; K273-E284 IonicContact NZ-OE1 3.77Å; K273-E284 PolarHBondContact NZ-OE1 3.17Å; K273-E284 IonicContact NZ-OE2 3.64Å; K273-E284 PolarHBondContact NZ-OE2 3.21Å; K273-V310 WeakPolarHBondContact O-CA 3.41Å; K273-L311 HydrophobicContact CB-CB 4.36Å; K273-L311 HydrophobicContact CD-CD1 4.38Å; K273-L311 PolarHBondContact N-O 3.14Å; K273-L311 PolarHBondContact O-N 2.96Å; K273-M313 HydrophobicContact CB-CE 3.6Å; K273-W560 HydrophobicContact CD-CH2 4Å; K273-W560 HydrophobicContact CD-CZ2 3.7Å; K273-W560 VanDerWaalsContact CE-CH2 3.48Å
274	R	92.4	Very high	89.7	Confident	65 Å²	65	44 Å²	44	25%	0.245	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	104.3	-178.5	-173.8	171.1	67.7	-159.9	1.9	110.2	E240 G256 D257 F259 N308 V310	E240-R274 IonicContact OE1-NH1 2.66Å; E240-R274 PolarHBondContact OE1-NH1 2.9Å; E240-R274 IonicContact OE2-NH1 2.68Å; E240-R274 PolarHBondContact OE2-NH1 3.06Å; G256-R274 CarbonylContact C-O 3.49Å; G256-R274 WeakPolarHBondContact CA-O 3.13Å; D257-R274 PolarHBondContact N-O 2.85Å; D257-R274 PolarHBondContact O-N 2.76Å; F259-R274 HydrophobicContact CE2-CB 4.17Å; R274-N308 HydrophobicContact CG-CB 3.77Å; R274-V310 HydrophobicContact CG-CG2 4.24Å
275	I	89.9	Confident	89.2	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	126.8	-175.5	-58.8	171.5	0	0	0	108.8	Y255 K273 F280 E284 N308 V309 L311	Y255-I275 WeakPolarHBondContact O-CA 3.39Å; Y255-I275 WeakPolarHBondContact O-CG2 3.27Å; K273-I275 HydrophobicContact CD-CD1 3.89Å; K273-I275 HydrophobicContact CD-CG1 3.99Å; K273-I275 HydrophobicContact CG-CD1 4.37Å; K273-I275 HydrophobicContact CG-CG1 3.97Å; I275-F280 HydrophobicContact CD1-CD2 4.1Å; I275-F280 HydrophobicContact CG2-CB 3.84Å; I275-F280 HydrophobicContact CG2-CD2 4.31Å; I275-E284 WeakPolarHBondContact CD1-OE2 3.14Å; I275-N308 CarbonylContact O-C 3.58Å; I275-N308 VanDerWaalsContact O-CA 3.26Å; I275-N308 WeakPolarHBondContact O-CA 3.47Å; I275-V309 PolarHBondContact N-O 3.34Å; I275-V309 PolarHBondContact O-N 2.88Å; I275-L311 HydrophobicContact CD1-CD1 3.72Å; I275-L311 HydrophobicContact CD1-CG 3.94Å
276	P	88.9	Confident	88.6	Confident	46 Å²	46	36.9 Å²	36.9	30%	0.299	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	136.6	169.5	-18.2	31.4	0	0	0	110.1	S278 H279 F280	P276-S278 PolarHBondContact O-N 2.7Å; P276-H279 PolarHBondContact O-N 3.3Å; P276-F280 PolarHBondContact O-N 3.08Å
277	L	85.1	Confident	88	Confident	26 Å²	26	34.5 Å²	34.5	14%	0.136	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-57.7	-28.6	-172.5	-179.9	63.6	0	0	0	113.5	W215 H279 F280 L307 V309	W215-L277 HydrophobicContact CB-CD1 4.42Å; W215-L277 WeakPolarHBondContact O-CD1 3.48Å; W215-L277 VanDerWaalsContact O-CD2 3.3Å; W215-L277 WeakPolarHBondContact O-CD2 3.3Å; L277-H279 PolarHBondContact O-N 2.94Å; L277-F280 PolarHBondContact O-N 3.49Å; L277-L307 VanDerWaalsContact CB-O 3.26Å; L277-L307 WeakPolarHBondContact CB-O 3.41Å; L277-L307 PolarHBondContact N-O 3.35Å; L277-V309 HydrophobicContact CD1-CG2 4.02Å
278	S	83.6	Confident	87.7	Confident	97 Å²	97	33 Å²	33	68%	0.678	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-60.5	-24.2	172.7	48.3	0	0	0	0	114.6	P276	P276-S278 PolarHBondContact O-N 2.7Å
279	H	82.1	Confident	87.1	Confident	74 Å²	74	31 Å²	31	34%	0.343	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-114.7	4.5	-179.1	-48.6	-61.4	0	0	0	112.6	P276 L277	P276-H279 PolarHBondContact O-N 3.3Å; L277-H279 PolarHBondContact O-N 2.94Å
280	F	83.3	Confident	86.5	Confident	28 Å²	28	28.9 Å²	28.9	12%	0.123	16%	0.162	C	C	.	.			trans	-78.8	132.8	178.1	178	-109.4	0	0	0	111.5	L212 W215 I275 P276 L277 V285 V309 L311	L212-F280 HydrophobicContact CD2-CE1 4.39Å; L212-F280 HydrophobicContact CD2-CZ 4.23Å; W215-F280 AromaticContact CE3-CE1 3.87Å; W215-F280 HydrophobicContact CE3-CE1 3.87Å; W215-F280 HydrophobicContact CE3-CZ 4.26Å; W215-F280 HydrophobicContact CZ3-CE1 4.31Å; W215-F280 HydrophobicContact CZ3-CZ 4.23Å; I275-F280 HydrophobicContact CD1-CD2 4.1Å; I275-F280 HydrophobicContact CG2-CB 3.84Å; I275-F280 HydrophobicContact CG2-CD2 4.31Å; P276-F280 PolarHBondContact O-N 3.08Å; L277-F280 PolarHBondContact O-N 3.49Å; F280-V285 HydrophobicContact CE2-CG2 3.78Å; F280-V285 HydrophobicContact CZ-CB 4.48Å; F280-V285 HydrophobicContact CZ-CG2 3.74Å; F280-V309 HydrophobicContact CB-CB 4.48Å; F280-V309 HydrophobicContact CB-CG2 4.16Å; F280-V309 HydrophobicContact CD1-CB 4.5Å; F280-V309 HydrophobicContact CD1-CG2 3.85Å; F280-V309 HydrophobicContact CD2-CB 3.85Å; F280-V309 HydrophobicContact CD2-CG1 3.83Å; F280-V309 HydrophobicContact CD2-CG2 4.1Å; F280-V309 HydrophobicContact CE1-CG1 4.46Å; F280-V309 HydrophobicContact CE1-CG2 4.3Å; F280-V309 HydrophobicContact CE2-CB 4.23Å; F280-V309 HydrophobicContact CE2-CG1 3.67Å; F280-V309 HydrophobicContact CG-CB 4Å; F280-V309 HydrophobicContact CG-CG1 4.31Å; F280-V309 HydrophobicContact CG-CG2 3.74Å; F280-V309 HydrophobicContact CZ-CG1 4.01Å; F280-L311 HydrophobicContact CE2-CD2 4.31Å
281	S	81.1	Confident	86	Confident	41 Å²	41	29.1 Å²	29.1	29%	0.287	16%	0.163	S	C	.	.			trans	-112.1	125.9	169	-177.5	0	0	0	0	110.7	E283 E284	S281-E283 PolarHBondContact O-N 3.12Å; S281-E283 VanDerWaalsContact O-N 3.12Å; S281-E283 WeakPolarHBondContact OG-CB 3.37Å; S281-E283 PolarHBondContact OG-N 2.78Å; S281-E284 PolarHBondContact O-N 3.09Å; S281-E284 VanDerWaalsContact O-N 3.08Å
282	S	80.4	Confident	85.6	Confident	25 Å²	25	34.7 Å²	34.7	18%	0.175	19%	0.193	C	C	.	.	H	α-helix	trans	-59.3	-21.5	171.7	58.6	0	0	0	0	112.4	L212 D213 K286	L212-S282 VanDerWaalsContact CB-CB 3.47Å; L212-S282 WeakPolarHBondContact CD1-O 3.08Å; D213-S282 WeakPolarHBondContact OD1-CB 3.29Å; D213-S282 PolarHBondContact OD1-OG 3.26Å; S282-K286 WeakPolarHBondContact O-CB 3.48Å; S282-K286 PolarHBondContact O-N 3.28Å
283	E	77.4	Confident	85.4	Confident	77 Å²	77	35.4 Å²	35.4	36%	0.36	20%	0.198	S	C	.	.	H	α-helix	trans	-67.5	-32	175.1	-55.3	179.6	123.6	0	0	113.4	S281 T287 K392	S281-E283 PolarHBondContact O-N 3.12Å; S281-E283 VanDerWaalsContact O-N 3.12Å; S281-E283 WeakPolarHBondContact OG-CB 3.37Å; S281-E283 PolarHBondContact OG-N 2.78Å; E283-T287 WeakPolarHBondContact O-CB 3.13Å; E283-T287 PolarHBondContact O-N 3.29Å; E283-T287 PolarHBondContact O-OG1 3.06Å; E283-K392 VanDerWaalsContact CD-NZ 3.33Å; E283-K392 WeakPolarHBondContact OE1-CE 3.26Å; E283-K392 IonicContact OE1-NZ 3.79Å; E283-K392 PolarHBondContact OE1-NZ 2.95Å; E283-K392 VanDerWaalsContact OE2-CE 3.29Å; E283-K392 WeakPolarHBondContact OE2-CE 3Å; E283-K392 IonicContact OE2-NZ 2.84Å; E283-K392 PolarHBondContact OE2-NZ 3.28Å
284	E	83.7	Confident	85.4	Confident	10 Å²	10	40.2 Å²	40.2	5%	0.047	23%	0.23	C	C	.	.	H	α-helix	trans	-62.2	-51.4	178.6	179	174.1	-166	0	0	109.5	K273 I275 S281 T287 W288 L311 F378 W560	K273-E284 IonicContact NZ-OE1 3.77Å; K273-E284 PolarHBondContact NZ-OE1 3.17Å; K273-E284 IonicContact NZ-OE2 3.64Å; K273-E284 PolarHBondContact NZ-OE2 3.21Å; I275-E284 WeakPolarHBondContact CD1-OE2 3.14Å; S281-E284 PolarHBondContact O-N 3.09Å; S281-E284 VanDerWaalsContact O-N 3.08Å; E284-T287 PolarHBondContact O-N 2.86Å; E284-W288 HydrophobicContact CG-CE3 4.42Å; E284-W288 WeakPolarHBondContact O-CB 3.29Å; E284-W288 PolarHBondContact O-N 3.07Å; E284-L311 HydrophobicContact CG-CD1 4.25Å; E284-F378 HydrophobicContact CG-CB 4.2Å; E284-W560 WeakPolarHBondContact OE1-CH2 3.26Å
285	V	85.2	Confident	85.6	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.012	23%	0.228	C	C	.	.	H	α-helix	trans	-68.1	-42.6	179.8	176	0	0	0	0	111.6	L212 F280 T287 S289 L299 A302 L311	L212-V285 HydrophobicContact CD1-CB 3.77Å; L212-V285 HydrophobicContact CD1-CG1 3.83Å; L212-V285 HydrophobicContact CD2-CG1 4.35Å; F280-V285 HydrophobicContact CE2-CG2 3.78Å; F280-V285 HydrophobicContact CZ-CB 4.48Å; F280-V285 HydrophobicContact CZ-CG2 3.74Å; V285-T287 VanDerWaalsContact C-N 3.35Å; V285-T287 PolarHBondContact O-N 2.9Å; V285-S289 VanDerWaalsContact O-CB 3.25Å; V285-S289 WeakPolarHBondContact O-CB 3.33Å; V285-S289 PolarHBondContact O-N 2.93Å; V285-S289 PolarHBondContact O-OG 3.06Å; V285-L299 HydrophobicContact CG1-CD2 4.22Å; V285-A302 HydrophobicContact CG1-CB 3.97Å; V285-A302 HydrophobicContact CG2-CB 3.88Å; V285-L311 HydrophobicContact CG2-CD1 4.31Å; V285-L311 HydrophobicContact CG2-CD2 3.47Å; V285-L311 VanDerWaalsContact CG2-CD2 3.47Å
286	K	82.4	Confident	85.9	Confident	52 Å²	52	40.1 Å²	40.1	23%	0.226	23%	0.23	C	C	.	.	H	α-helix	trans	-62.9	-41.3	177.4	-177.6	173.7	178.2	166.7	0	111.9	N205 I208 S282 S289 M383	N205-K286 WeakPolarHBondContact O-CE 3.19Å; N205-K286 PolarHBondContact O-NZ 3.33Å; I208-K286 HydrophobicContact CG2-CB 4.4Å; S282-K286 WeakPolarHBondContact O-CB 3.48Å; S282-K286 PolarHBondContact O-N 3.28Å; K286-S289 PolarHBondContact O-OG 2.81Å; K286-M383 HydrophobicContact CG-CE 4.19Å
287	T	83.5	Confident	86.2	Confident	3 Å²	3	38 Å²	38	2%	0.018	22%	0.216	C	C	.	.	H	α-helix	trans	-68.3	-48.5	178.6	-58.8	0	0	0	0	110.9	E283 E284 V285 A290 L291 V354	E283-T287 WeakPolarHBondContact O-CB 3.13Å; E283-T287 PolarHBondContact O-N 3.29Å; E283-T287 PolarHBondContact O-OG1 3.06Å; E284-T287 PolarHBondContact O-N 2.86Å; V285-T287 VanDerWaalsContact C-N 3.35Å; V285-T287 PolarHBondContact O-N 2.9Å; T287-A290 PolarHBondContact O-N 3.38Å; T287-L291 WeakPolarHBondContact O-CG 3.27Å; T287-V354 HydrophobicContact CG2-CB 4.3Å; T287-V354 HydrophobicContact CG2-CG1 3.45Å; T287-V354 VanDerWaalsContact CG2-CG1 3.45Å; T287-V354 HydrophobicContact CG2-CG2 3.79Å
288	W	88.2	Confident	86.6	Confident	3 Å²	3	40 Å²	40	1%	0.011	23%	0.225	C	C	.	.	H	α-helix	trans	-70.7	-41.2	-174.9	-166.7	-4.3	0	0	0	112.9	E284 A290 L291 V297 L299 L311 M313 F378	E284-W288 HydrophobicContact CG-CE3 4.42Å; E284-W288 WeakPolarHBondContact O-CB 3.29Å; E284-W288 PolarHBondContact O-N 3.07Å; W288-A290 PolarHBondContact O-N 2.94Å; W288-L291 WeakPolarHBondContact O-CB 3.37Å; W288-L291 PolarHBondContact O-N 3.08Å; W288-V297 HydrophobicContact CZ2-CB 4.34Å; W288-V297 HydrophobicContact CZ2-CG1 4.2Å; W288-V297 PolarHBondContact NE1-O 2.9Å; W288-L299 HydrophobicContact CB-CD2 4.26Å; W288-L299 HydrophobicContact CD2-CB 3.99Å; W288-L299 HydrophobicContact CD2-CD1 4.18Å; W288-L299 HydrophobicContact CD2-CD2 4.42Å; W288-L299 HydrophobicContact CD2-CG 4.43Å; W288-L299 HydrophobicContact CE3-CD1 4.03Å; W288-L299 HydrophobicContact CG-CB 4.01Å; W288-L299 HydrophobicContact CG-CD2 4.27Å; W288-L299 HydrophobicContact CZ3-CD1 4.23Å; W288-L311 HydrophobicContact CZ3-CD1 4.34Å; W288-M313 HydrophobicContact CH2-CB 4.29Å; W288-M313 HydrophobicContact CH2-CE 3.67Å; W288-M313 HydrophobicContact CH2-SD 3.67Å; W288-M313 HydrophobicContact CZ2-CB 4.32Å; W288-M313 HydrophobicContact CZ2-SD 4.38Å; W288-M313 HydrophobicContact CZ3-CE 4.05Å; W288-F378 HydrophobicContact CB-CB 4.26Å; W288-F378 HydrophobicContact CB-CD2 4.09Å; W288-F378 HydrophobicContact CB-CG 4.14Å; W288-F378 AromaticContact CD1-CD2 3.76Å; W288-F378 AromaticContact CD1-CE2 3.72Å; W288-F378 AromaticContact CD2-CD2 3.42Å; W288-F378 HydrophobicContact CD2-CD2 3.42Å; W288-F378 VanDerWaalsContact CD2-CD2 3.42Å; W288-F378 HydrophobicContact CD2-CE2 4.03Å; W288-F378 HydrophobicContact CD2-CG 4.24Å; W288-F378 AromaticContact CE2-CD2 3.65Å; W288-F378 AromaticContact CE2-CE2 3.82Å; W288-F378 HydrophobicContact CE3-CB 4.35Å; W288-F378 AromaticContact CE3-CD2 3.86Å; W288-F378 HydrophobicContact CE3-CD2 3.86Å; W288-F378 AromaticContact CG-CD2 3.53Å; W288-F378 HydrophobicContact CG-CD2 3.53Å; W288-F378 AromaticContact CG-CE2 3.99Å; W288-F378 HydrophobicContact CG-CE2 3.99Å; W288-F378 HydrophobicContact CG-CG 4.08Å; W288-F378 HydrophobicContact CZ2-CD2 4.27Å; W288-F378 HydrophobicContact CZ2-CE2 4.43Å; W288-F378 HydrophobicContact CZ3-CD2 4.43Å; W288-F378 AromaticContact NE1-CD2 3.85Å; W288-F378 AromaticContact NE1-CE2 3.64Å
289	S	85.1	Confident	87	Confident	11 Å²	11	35.4 Å²	35.4	8%	0.077	19%	0.193	C	C	.	.	H	α-helix	trans	-63.1	-28.6	178.3	57	0	0	0	0	113.5	V285 K286 L291	V285-S289 VanDerWaalsContact O-CB 3.25Å; V285-S289 WeakPolarHBondContact O-CB 3.33Å; V285-S289 PolarHBondContact O-N 2.93Å; V285-S289 PolarHBondContact O-OG 3.06Å; K286-S289 PolarHBondContact O-OG 2.81Å; S289-L291 PolarHBondContact O-N 3.38Å
290	A	82.9	Confident	87.6	Confident	39 Å²	39	32.3 Å²	32.3	32%	0.322	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-7.4	174.6	0	0	0	0	0	114.4	T287 W288	T287-A290 PolarHBondContact O-N 3.38Å; W288-A290 PolarHBondContact O-N 2.94Å
291	L	87.8	Confident	88	Confident	5 Å²	5	31 Å²	31	3%	0.026	17%	0.173	C	C	.	.			trans	-92.8	129.4	179.3	-58.8	175	0	0	0	111.6	T287 W288 S289 V296 L349 K352 V354 F378	T287-L291 WeakPolarHBondContact O-CG 3.27Å; W288-L291 WeakPolarHBondContact O-CB 3.37Å; W288-L291 PolarHBondContact O-N 3.08Å; S289-L291 PolarHBondContact O-N 3.38Å; L291-V296 HydrophobicContact CB-CG1 4.35Å; L291-V296 HydrophobicContact CD1-CG1 4.29Å; L291-L349 HydrophobicContact CD1-CD1 4.01Å; L291-L349 HydrophobicContact CD1-CG 4.24Å; L291-L349 HydrophobicContact CD2-CD1 4.31Å; L291-L349 HydrophobicContact CD2-CG 4.39Å; L291-K352 HydrophobicContact CD2-CB 4.32Å; L291-K352 HydrophobicContact CD2-CG 4.38Å; L291-V354 HydrophobicContact CD2-CG2 4.41Å; L291-F378 HydrophobicContact CD1-CD1 3.9Å; L291-F378 HydrophobicContact CD1-CE1 3.2Å; L291-F378 HydrophobicContact CD1-CE2 4.41Å; L291-F378 HydrophobicContact CD1-CZ 3.52Å
292	N	86.8	Confident	88.5	Confident	118 Å²	118	29.1 Å²	29.1	63%	0.631	16%	0.159	S	C	*	.			trans	-135	95	173.5	-175.6	0.8	0	0	0	108.7	H348	N292-H348 PolarHBondContact O-NE2 2.61Å
293	S	91.9	Very high	89.1	Confident	17 Å²	17	28 Å²	28	12%	0.119	15%	0.151	C	C	.	.			trans	-151.6	135.5	-178.3	174.8	0	0	0	0	109.9	R295 V296	S293-R295 PolarHBondContact O-N 2.99Å; S293-R295 PolarHBondContact OG-N 2.97Å; S293-V296 PolarHBondContact O-N 2.94Å; S293-V296 VanDerWaalsContact O-N 3.08Å
294	P	92.9	Very high	89.8	Confident	104 Å²	104	24.3 Å²	24.3	68%	0.675	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	8.2	177	32.2	-37.7	0	0	0	113.7	F374	P294-F374 WeakPolarHBondContact O-CE1 3.27Å
295	R	96.4	Very high	90.1	Very high	54 Å²	54	25.5 Å²	25.5	20%	0.204	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	10.5	174.9	-57.1	-62.4	166.5	-177.4	-5.4	113	S293 Q341 A345 D372 T373 L375	S293-R295 PolarHBondContact O-N 2.99Å; S293-R295 PolarHBondContact OG-N 2.97Å; R295-Q341 VanDerWaalsContact NH1-NE2 3.19Å; R295-A345 HydrophobicContact CB-CB 3.8Å; R295-A345 VanDerWaalsContact O-CB 3.31Å; R295-A345 WeakPolarHBondContact O-CB 3.34Å; R295-D372 IonicContact CZ-OD1 3.2Å; R295-D372 VanDerWaalsContact NH1-CB 3.3Å; R295-D372 VanDerWaalsContact NH1-CG 3.3Å; R295-D372 IonicContact NH1-OD1 2.75Å; R295-D372 PolarHBondContact NH1-OD1 3.48Å; R295-D372 IonicContact NH2-OD1 2.67Å; R295-D372 PolarHBondContact NH2-OD1 3.27Å; R295-T373 VanDerWaalsContact CD-O 3.31Å; R295-T373 WeakPolarHBondContact CD-O 3.21Å; R295-T373 PolarHBondContact NH1-O 3.47Å; R295-L375 WeakPolarHBondContact O-CB 3.3Å; R295-L375 PolarHBondContact O-N 2.91Å
296	V	96	Very high	90.2	Very high	11 Å²	11	26.3 Å²	26.3	7%	0.067	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-118.4	137.6	171.6	170.9	0	0	0	0	107.2	L291 S293 E298 A345 L349 L375 F378	L291-V296 HydrophobicContact CB-CG1 4.35Å; L291-V296 HydrophobicContact CD1-CG1 4.29Å; S293-V296 PolarHBondContact O-N 2.94Å; S293-V296 VanDerWaalsContact O-N 3.08Å; V296-E298 PolarHBondContact O-N 2.98Å; V296-A345 HydrophobicContact CG2-CB 4.24Å; V296-L349 HydrophobicContact CG2-CD1 3.81Å; V296-L375 WeakPolarHBondContact CA-O 3.43Å; V296-F378 HydrophobicContact CG1-CE2 3.79Å; V296-F378 HydrophobicContact CG1-CZ 3.59Å; V296-F378 HydrophobicContact CG2-CZ 4.36Å
297	V	95.1	Very high	90.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-62.4	133.4	173.7	171.7	0	0	0	0	109	W288 L299 M313 D314 L365 F374 L375 C376	W288-V297 HydrophobicContact CZ2-CB 4.34Å; W288-V297 HydrophobicContact CZ2-CG1 4.2Å; W288-V297 PolarHBondContact NE1-O 2.9Å; V297-L299 PolarHBondContact O-N 2.91Å; V297-M313 HydrophobicContact CG1-CB 4.24Å; V297-D314 HydrophobicContact CG1-CB 4.02Å; V297-D314 WeakPolarHBondContact CG1-O 3.19Å; V297-L365 HydrophobicContact CG2-CD1 3.85Å; V297-L365 HydrophobicContact CG2-CG 4.28Å; V297-F374 HydrophobicContact CG2-CB 3.61Å; V297-L375 PolarHBondContact N-O 3.28Å; V297-C376 HydrophobicContact CB-CB 3.94Å; V297-C376 HydrophobicContact CG2-CB 3.7Å
298	E	92.6	Very high	90.8	Very high	68 Å²	68	31.6 Å²	31.6	32%	0.318	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-77.2	127	-178.2	-177.2	152.8	-119.6	0	0	112	K197 V296 F300 M313 D314	K197-E298 VanDerWaalsContact CD-OE1 3.28Å; K197-E298 WeakPolarHBondContact CD-OE1 3.36Å; K197-E298 IonicContact NZ-OE1 3.52Å; K197-E298 PolarHBondContact NZ-OE1 2.96Å; V296-E298 PolarHBondContact O-N 2.98Å; E298-F300 HydrophobicContact CB-CD1 4.35Å; E298-F300 HydrophobicContact CB-CE1 4.03Å; E298-F300 HydrophobicContact CG-CD1 3.88Å; E298-F300 HydrophobicContact CG-CE1 3.93Å; E298-M313 CarbonylContact O-C 3.5Å; E298-M313 VanDerWaalsContact O-CA 3.25Å; E298-M313 WeakPolarHBondContact O-CA 3.45Å; E298-M313 WeakPolarHBondContact O-CB 3.29Å; E298-D314 HydrophobicContact CB-CB 4.2Å; E298-D314 PolarHBondContact O-N 3.37Å
299	L	92.9	Very high	90.9	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	117.8	165	-173.8	70.5	0	0	0	109.1	F227 V285 W288 V297 L311 F312	F227-L299 HydrophobicContact CD2-CG 4.44Å; F227-L299 HydrophobicContact CE2-CD2 3.92Å; F227-L299 HydrophobicContact CE2-CG 4.22Å; V285-L299 HydrophobicContact CG1-CD2 4.22Å; W288-L299 HydrophobicContact CB-CD2 4.26Å; W288-L299 HydrophobicContact CD2-CB 3.99Å; W288-L299 HydrophobicContact CD2-CD1 4.18Å; W288-L299 HydrophobicContact CD2-CD2 4.42Å; W288-L299 HydrophobicContact CD2-CG 4.43Å; W288-L299 HydrophobicContact CE3-CD1 4.03Å; W288-L299 HydrophobicContact CG-CB 4.01Å; W288-L299 HydrophobicContact CG-CD2 4.27Å; W288-L299 HydrophobicContact CZ3-CD1 4.23Å; V297-L299 PolarHBondContact O-N 2.91Å; L299-L311 HydrophobicContact CD1-CB 4.14Å; L299-F312 WeakPolarHBondContact CD1-O 3.26Å
300	F	93.9	Very high	91.3	Very high	9 Å²	9	31.1 Å²	31.1	4%	0.039	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-19.6	178.6	-65.3	-26.3	0	0	0	113.6	F227 H228 L231 F268 C270 E298 F312 M313 D314	F227-F300 WeakPolarHBondContact CA-O 3.46Å; F227-F300 PolarHBondContact N-O 2.86Å; H228-F300 HydrophobicContact CB-CB 3.59Å; H228-F300 HydrophobicContact CB-CD1 3.68Å; H228-F300 HydrophobicContact CB-CG 3.75Å; H228-F300 AromaticContact CD2-CD1 3.57Å; H228-F300 AromaticContact CD2-CE1 3.55Å; H228-F300 AromaticContact CG-CD1 3.64Å; H228-F300 AromaticContact CG-CE1 4Å; H228-F300 AromaticContact CG-CG 3.92Å; H228-F300 PolarHBondContact N-O 2.86Å; H228-F300 VanDerWaalsContact N-O 3.13Å; L231-F300 HydrophobicContact CD1-CB 3.68Å; L231-F300 HydrophobicContact CD1-CD2 4.47Å; L231-F300 HydrophobicContact CD1-CG 4.5Å; F268-F300 HydrophobicContact CE1-CD2 4.04Å; F268-F300 AromaticContact CE1-CE2 3.62Å; F268-F300 HydrophobicContact CE1-CE2 3.62Å; F268-F300 HydrophobicContact CE1-CZ 4.27Å; F268-F300 AromaticContact CZ-CE2 3.68Å; F268-F300 HydrophobicContact CZ-CE2 3.68Å; F268-F300 AromaticContact CZ-CZ 3.94Å; F268-F300 HydrophobicContact CZ-CZ 3.94Å; C270-F300 HydrophobicContact CB-CD2 3.73Å; C270-F300 HydrophobicContact CB-CE2 3.81Å; E298-F300 HydrophobicContact CB-CD1 4.35Å; E298-F300 HydrophobicContact CB-CE1 4.03Å; E298-F300 HydrophobicContact CG-CD1 3.88Å; E298-F300 HydrophobicContact CG-CE1 3.93Å; F300-F312 WeakPolarHBondContact CA-O 3.28Å; F300-F312 HydrophobicContact CB-CB 4.17Å; F300-F312 WeakPolarHBondContact CB-O 3.4Å; F300-F312 PolarHBondContact N-O 2.98Å; F300-M313 VanDerWaalsContact CD2-C 3.47Å; F300-D314 HydrophobicContact CE1-CB 4.08Å; F300-D314 VanDerWaalsContact CE2-CA 3.48Å; F300-D314 HydrophobicContact CE2-CB 4.14Å; F300-D314 HydrophobicContact CZ-CB 3.62Å
301	G	91.9	Very high	91.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.3	168.3	176.4	0	0	0	0	0	113.2	L225 F312	L225-G301 CarbonylContact O-C 3.58Å; L225-G301 WeakPolarHBondContact O-CA 3.21Å; G301-F312 PolarHBondContact N-O 3.49Å; G301-F312 PolarHBondContact O-N 3.49Å
302	A	92.4	Very high	92.2	Very high	1 Å²	1	29 Å²	29	1%	0.008	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	122.4	168.5	0	0	0	0	0	108.1	W215 G224 L225 V285 V310 L311	W215-A302 HydrophobicContact CH2-CB 3.97Å; W215-A302 WeakPolarHBondContact CH2-O 3.39Å; W215-A302 HydrophobicContact CZ3-CB 4.19Å; G224-A302 CarbonylContact C-O 3.06Å; G224-A302 WeakPolarHBondContact CA-O 3.48Å; L225-A302 PolarHBondContact N-O 2.91Å; L225-A302 PolarHBondContact O-N 2.87Å; V285-A302 HydrophobicContact CG1-CB 3.97Å; V285-A302 HydrophobicContact CG2-CB 3.88Å; A302-V310 WeakPolarHBondContact CA-O 3.27Å; A302-L311 HydrophobicContact CB-CD2 3.57Å
303	V	92.4	Very high	92.6	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.006	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	121.9	176.9	-178.9	0	0	0	0	108.8	V192 I226 Y238 V310 F312	V192-V303 HydrophobicContact CG1-CG2 3.87Å; V192-V303 HydrophobicContact CG2-CG1 3.64Å; V192-V303 HydrophobicContact CG2-CG2 4.41Å; I226-V303 HydrophobicContact CD1-CG2 4.27Å; I226-V303 HydrophobicContact CG1-CG2 4.03Å; Y238-V303 HydrophobicContact CD1-CG2 4.25Å; V303-V310 PolarHBondContact N-O 2.79Å; V303-V310 PolarHBondContact O-N 2.91Å; V303-F312 HydrophobicContact CB-CE2 4Å; V303-F312 HydrophobicContact CG2-CD2 4.35Å; V303-F312 HydrophobicContact CG2-CE2 3.86Å
304	R	91.1	Very high	92.7	Very high	1 Å²	1	24.5 Å²	24.5	0%	0.004	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	130.1	164.8	-175.1	-159.7	172.9	161	14.4	109.1	W215 T217 K219 N222 E223 G306 N308 V309	W215-R304 HydrophobicContact CD2-CB 3.98Å; W215-R304 HydrophobicContact CE3-CB 4.07Å; W215-R304 HydrophobicContact CG-CB 4.36Å; W215-R304 HydrophobicContact CZ3-CB 4.43Å; W215-R304 PolarHBondContact O-NH1 2.87Å; T217-R304 PolarHBondContact O-NH1 3.16Å; T217-R304 PolarHBondContact O-NH2 2.76Å; K219-R304 PolarHBondContact O-NH2 2.84Å; N222-R304 VanDerWaalsContact CA-O 3.3Å; N222-R304 WeakPolarHBondContact CA-O 3.41Å; E223-R304 HydrophobicContact CG-CB 3.95Å; E223-R304 HydrophobicContact CG-CG 4.46Å; E223-R304 PolarHBondContact N-O 3.41Å; E223-R304 VanDerWaalsContact N-O 3.08Å; E223-R304 WeakPolarHBondContact O-CB 3.22Å; E223-R304 PolarHBondContact O-N 2.78Å; E223-R304 WeakPolarHBondContact OE1-CD 3.25Å; E223-R304 IonicContact OE1-CZ 3.75Å; E223-R304 IonicContact OE1-NE 2.73Å; E223-R304 IonicContact OE1-NH1 3.94Å; E223-R304 PolarHBondContact OE1-NH1 3.38Å; R304-G306 PolarHBondContact NE-O 2.9Å; R304-G306 PolarHBondContact NH2-O 2.78Å; R304-N308 CarbonylContact C-O 3.49Å; R304-N308 WeakPolarHBondContact CA-O 3.25Å; R304-N308 WeakPolarHBondContact CG-O 3.32Å; R304-V309 HydrophobicContact CB-CG2 4.34Å; R304-V309 HydrophobicContact CG-CG2 4.31Å
305	D	89.9	Confident	92.8	Very high	35 Å²	35	20.7 Å²	20.7	19%	0.187	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	103.7	168.8	-159.9	28	0	0	0	110	N222 R239 L307 N308	N222-D305 VanDerWaalsContact ND2-CG 3.33Å; N222-D305 PolarHBondContact ND2-OD1 2.69Å; R239-D305 IonicContact CZ-OD1 2.64Å; R239-D305 IonicContact NH1-OD1 3.69Å; R239-D305 PolarHBondContact NH1-OD1 2.71Å; D305-L307 PolarHBondContact O-N 3.41Å; D305-L307 VanDerWaalsContact O-N 3.17Å; D305-N308 PolarHBondContact N-O 2.89Å; D305-N308 PolarHBondContact O-N 3.37Å; D305-N308 VanDerWaalsContact O-N 3.09Å
306	G	87.9	Confident	92.6	Very high	18 Å²	18	19.3 Å²	19.3	19%	0.186	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	-109.7	-175.9	0	0	0	0	0	113.3	A221 R304	A221-G306 PolarHBondContact O-N 3.28Å; R304-G306 PolarHBondContact NE-O 2.9Å; R304-G306 PolarHBondContact NH2-O 2.78Å
307	L	88.1	Confident	92.3	Very high	112 Å²	112	19.9 Å²	19.9	59%	0.586	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.2	9.9	179.2	-61.3	179.6	0	0	0	113.1	L277 D305	L277-L307 VanDerWaalsContact CB-O 3.26Å; L277-L307 WeakPolarHBondContact CB-O 3.41Å; L277-L307 PolarHBondContact N-O 3.35Å; D305-L307 PolarHBondContact O-N 3.41Å; D305-L307 VanDerWaalsContact O-N 3.17Å
308	N	90.1	Very high	92.1	Very high	54 Å²	54	20 Å²	20	29%	0.289	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	155.8	175.2	-59.1	-80.3	0	0	0	111.1	R274 I275 R304 D305	R274-N308 HydrophobicContact CG-CB 3.77Å; I275-N308 CarbonylContact O-C 3.58Å; I275-N308 VanDerWaalsContact O-CA 3.26Å; I275-N308 WeakPolarHBondContact O-CA 3.47Å; R304-N308 CarbonylContact C-O 3.49Å; R304-N308 WeakPolarHBondContact CA-O 3.25Å; R304-N308 WeakPolarHBondContact CG-O 3.32Å; D305-N308 PolarHBondContact N-O 2.89Å; D305-N308 PolarHBondContact O-N 3.37Å; D305-N308 VanDerWaalsContact O-N 3.09Å
309	V	91.1	Very high	92.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	125.8	163	-179.6	0	0	0	0	108.5	W215 I275 L277 F280 R304 L311	W215-V309 HydrophobicContact CE3-CG1 4.11Å; W215-V309 HydrophobicContact CE3-CG2 3.92Å; W215-V309 HydrophobicContact CZ3-CG1 3.66Å; W215-V309 HydrophobicContact CZ3-CG2 4.33Å; I275-V309 PolarHBondContact N-O 3.34Å; I275-V309 PolarHBondContact O-N 2.88Å; L277-V309 HydrophobicContact CD1-CG2 4.02Å; F280-V309 HydrophobicContact CB-CB 4.48Å; F280-V309 HydrophobicContact CB-CG2 4.16Å; F280-V309 HydrophobicContact CD1-CB 4.5Å; F280-V309 HydrophobicContact CD1-CG2 3.85Å; F280-V309 HydrophobicContact CD2-CB 3.85Å; F280-V309 HydrophobicContact CD2-CG1 3.83Å; F280-V309 HydrophobicContact CD2-CG2 4.1Å; F280-V309 HydrophobicContact CE1-CG1 4.46Å; F280-V309 HydrophobicContact CE1-CG2 4.3Å; F280-V309 HydrophobicContact CE2-CB 4.23Å; F280-V309 HydrophobicContact CE2-CG1 3.67Å; F280-V309 HydrophobicContact CG-CB 4Å; F280-V309 HydrophobicContact CG-CG1 4.31Å; F280-V309 HydrophobicContact CG-CG2 3.74Å; F280-V309 HydrophobicContact CZ-CG1 4.01Å; R304-V309 HydrophobicContact CB-CG2 4.34Å; R304-V309 HydrophobicContact CG-CG2 4.31Å; V309-L311 HydrophobicContact CG1-CD2 3.94Å
310	V	93.7	Very high	92.2	Very high	4 Å²	4	16.7 Å²	16.7	2%	0.024	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	113.9	-178.6	-170.3	0	0	0	0	108.9	A272 K273 R274 A302 V303 F312	A272-V310 HydrophobicContact CB-CG1 3.75Å; K273-V310 WeakPolarHBondContact O-CA 3.41Å; R274-V310 HydrophobicContact CG-CG2 4.24Å; A302-V310 WeakPolarHBondContact CA-O 3.27Å; V303-V310 PolarHBondContact N-O 2.79Å; V303-V310 PolarHBondContact O-N 2.91Å; V310-F312 HydrophobicContact CB-CE2 3.98Å; V310-F312 HydrophobicContact CB-CZ 3.97Å; V310-F312 HydrophobicContact CG1-CD1 4.37Å; V310-F312 HydrophobicContact CG1-CD2 4.38Å; V310-F312 HydrophobicContact CG1-CE1 3.73Å; V310-F312 HydrophobicContact CG1-CE2 3.74Å; V310-F312 HydrophobicContact CG1-CZ 3.37Å
311	L	93.8	Very high	92.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	114.8	174.4	-53.8	-170.4	0	0	0	109.2	A272 K273 I275 F280 E284 V285 W288 L299 A302 V309 M313	A272-L311 CarbonylContact C-O 3.55Å; A272-L311 WeakPolarHBondContact CA-O 3.23Å; K273-L311 HydrophobicContact CB-CB 4.36Å; K273-L311 HydrophobicContact CD-CD1 4.38Å; K273-L311 PolarHBondContact N-O 3.14Å; K273-L311 PolarHBondContact O-N 2.96Å; I275-L311 HydrophobicContact CD1-CD1 3.72Å; I275-L311 HydrophobicContact CD1-CG 3.94Å; F280-L311 HydrophobicContact CE2-CD2 4.31Å; E284-L311 HydrophobicContact CG-CD1 4.25Å; V285-L311 HydrophobicContact CG2-CD1 4.31Å; V285-L311 HydrophobicContact CG2-CD2 3.47Å; V285-L311 VanDerWaalsContact CG2-CD2 3.47Å; W288-L311 HydrophobicContact CZ3-CD1 4.34Å; L299-L311 HydrophobicContact CD1-CB 4.14Å; A302-L311 HydrophobicContact CB-CD2 3.57Å; V309-L311 HydrophobicContact CG1-CD2 3.94Å; L311-M313 HydrophobicContact CB-CE 3.95Å; L311-M313 WeakPolarHBondContact O-CE 3.34Å
312	F	95.4	Very high	92	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	133.6	176.5	-61	-80.8	0	0	0	109.9	L231 Y238 Y244 V261 A271 A272 L299 F300 G301 V303 V310	L231-F312 HydrophobicContact CD1-CB 3.77Å; L231-F312 HydrophobicContact CD1-CG 4.16Å; Y238-F312 AromaticContact CD1-CE2 3.79Å; Y238-F312 HydrophobicContact CD1-CE2 3.79Å; Y238-F312 AromaticContact CD1-CZ 3.75Å; Y238-F312 HydrophobicContact CD1-CZ 3.75Å; Y238-F312 HydrophobicContact CE1-CD1 4.36Å; Y238-F312 HydrophobicContact CE1-CD2 4.3Å; Y238-F312 AromaticContact CE1-CE1 3.8Å; Y238-F312 HydrophobicContact CE1-CE1 3.8Å; Y238-F312 AromaticContact CE1-CE2 3.74Å; Y238-F312 HydrophobicContact CE1-CE2 3.74Å; Y238-F312 AromaticContact CE1-CZ 3.46Å; Y238-F312 HydrophobicContact CE1-CZ 3.46Å; Y238-F312 VanDerWaalsContact CE1-CZ 3.46Å; Y244-F312 HydrophobicContact CD1-CE1 4.21Å; Y244-F312 HydrophobicContact CD1-CZ 4.01Å; Y244-F312 HydrophobicContact CD2-CE1 4.47Å; Y244-F312 HydrophobicContact CE1-CE1 4.08Å; Y244-F312 AromaticContact CE1-CZ 3.59Å; Y244-F312 HydrophobicContact CE1-CZ 3.59Å; Y244-F312 HydrophobicContact CE2-CE1 4.36Å; Y244-F312 HydrophobicContact CG-CE1 4.41Å; Y244-F312 AromaticContact CZ-CZ 3.89Å; V261-F312 HydrophobicContact CG2-CD1 4.16Å; V261-F312 HydrophobicContact CG2-CE1 4.18Å; A271-F312 CarbonylContact O-C 3.55Å; A271-F312 WeakPolarHBondContact O-CA 3.48Å; A272-F312 HydrophobicContact CB-CD1 3.9Å; A272-F312 HydrophobicContact CB-CE1 3.83Å; L299-F312 WeakPolarHBondContact CD1-O 3.26Å; F300-F312 WeakPolarHBondContact CA-O 3.28Å; F300-F312 HydrophobicContact CB-CB 4.17Å; F300-F312 WeakPolarHBondContact CB-O 3.4Å; F300-F312 PolarHBondContact N-O 2.98Å; G301-F312 PolarHBondContact N-O 3.49Å; G301-F312 PolarHBondContact O-N 3.49Å; V303-F312 HydrophobicContact CB-CE2 4Å; V303-F312 HydrophobicContact CG2-CD2 4.35Å; V303-F312 HydrophobicContact CG2-CE2 3.86Å; V310-F312 HydrophobicContact CB-CE2 3.98Å; V310-F312 HydrophobicContact CB-CZ 3.97Å; V310-F312 HydrophobicContact CG1-CD1 4.37Å; V310-F312 HydrophobicContact CG1-CD2 4.38Å; V310-F312 HydrophobicContact CG1-CE1 3.73Å; V310-F312 HydrophobicContact CG1-CE2 3.74Å; V310-F312 HydrophobicContact CG1-CZ 3.37Å
313	M	95.3	Very high	92	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	161.7	-172.2	67.6	-166.6	70.6	0	0	113.2	C270 A271 K273 W288 V297 E298 F300 L311 L315 V557	C270-M313 WeakPolarHBondContact CB-O 3.35Å; A271-M313 HydrophobicContact CB-CG 3.63Å; A271-M313 HydrophobicContact CB-SD 4.41Å; A271-M313 PolarHBondContact N-O 3.36Å; A271-M313 PolarHBondContact O-N 3.13Å; K273-M313 HydrophobicContact CB-CE 3.6Å; W288-M313 HydrophobicContact CH2-CB 4.29Å; W288-M313 HydrophobicContact CH2-CE 3.67Å; W288-M313 HydrophobicContact CH2-SD 3.67Å; W288-M313 HydrophobicContact CZ2-CB 4.32Å; W288-M313 HydrophobicContact CZ2-SD 4.38Å; W288-M313 HydrophobicContact CZ3-CE 4.05Å; V297-M313 HydrophobicContact CG1-CB 4.24Å; E298-M313 CarbonylContact O-C 3.5Å; E298-M313 VanDerWaalsContact O-CA 3.25Å; E298-M313 WeakPolarHBondContact O-CA 3.45Å; E298-M313 WeakPolarHBondContact O-CB 3.29Å; F300-M313 VanDerWaalsContact CD2-C 3.47Å; L311-M313 HydrophobicContact CB-CE 3.95Å; L311-M313 WeakPolarHBondContact O-CE 3.34Å; M313-L315 PolarHBondContact O-N 3.07Å; M313-V557 HydrophobicContact SD-CG1 3.97Å
314	D	94.4	Very high	92	Very high	40 Å²	40	17.8 Å²	17.8	21%	0.214	10%	0.099	C	C	.	.	P	Polyproline II helix	trans	-57.7	124.7	177.3	178.3	3	0	0	0	112.2	V297 E298 F300 K316	V297-D314 HydrophobicContact CG1-CB 4.02Å; V297-D314 WeakPolarHBondContact CG1-O 3.19Å; E298-D314 HydrophobicContact CB-CB 4.2Å; E298-D314 PolarHBondContact O-N 3.37Å; F300-D314 HydrophobicContact CE1-CB 4.08Å; F300-D314 VanDerWaalsContact CE2-CA 3.48Å; F300-D314 HydrophobicContact CE2-CB 4.14Å; F300-D314 HydrophobicContact CZ-CB 3.62Å; D314-K316 WeakPolarHBondContact OD1-CE 3.34Å; D314-K316 IonicContact OD1-NZ 2.7Å; D314-K316 PolarHBondContact OD1-NZ 2.73Å; D314-K316 VanDerWaalsContact OD2-CE 3.29Å; D314-K316 WeakPolarHBondContact OD2-CE 3.31Å; D314-K316 IonicContact OD2-NZ 2.75Å; D314-K316 PolarHBondContact OD2-NZ 2.83Å
315	L	94.4	Very high	92	Very high	23 Å²	23	24.6 Å²	24.6	12%	0.12	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-90.9	117.2	-171.3	-178	68.7	0	0	0	110.8	I250 K269 A271 M313 F555	I250-L315 HydrophobicContact CD1-CD1 3.72Å; K269-L315 HydrophobicContact CB-CD2 4.24Å; A271-L315 HydrophobicContact CB-CD1 3.8Å; M313-L315 PolarHBondContact O-N 3.07Å; L315-F555 HydrophobicContact CD1-CB 3.62Å; L315-F555 HydrophobicContact CD1-CG 4.36Å; L315-F555 HydrophobicContact CD2-CB 3.91Å; L315-F555 HydrophobicContact CD2-CD1 4Å; L315-F555 HydrophobicContact CD2-CD2 4.11Å; L315-F555 HydrophobicContact CD2-CG 3.75Å; L315-F555 HydrophobicContact CG-CB 3.73Å; L315-F555 HydrophobicContact CG-CD1 4.01Å; L315-F555 HydrophobicContact CG-CG 3.94Å
316	K	93.1	Very high	92	Very high	25 Å²	25	27 Å²	27	11%	0.109	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-102.1	155.4	177.3	-60.5	-51.6	178.3	-152.7	0	112.3	D314 L365 F374 F555 W556	D314-K316 WeakPolarHBondContact OD1-CE 3.34Å; D314-K316 IonicContact OD1-NZ 2.7Å; D314-K316 PolarHBondContact OD1-NZ 2.73Å; D314-K316 VanDerWaalsContact OD2-CE 3.29Å; D314-K316 WeakPolarHBondContact OD2-CE 3.31Å; D314-K316 IonicContact OD2-NZ 2.75Å; D314-K316 PolarHBondContact OD2-NZ 2.83Å; K316-L365 HydrophobicContact CB-CB 3.79Å; K316-L365 HydrophobicContact CB-CD1 3.89Å; K316-L365 HydrophobicContact CB-CG 4.45Å; K316-L365 HydrophobicContact CG-CB 3.74Å; K316-L365 HydrophobicContact CG-CD1 3.83Å; K316-L365 HydrophobicContact CG-CG 4.45Å; K316-F374 HydrophobicContact CD-CD2 4.12Å; K316-F374 HydrophobicContact CD-CE2 4.27Å; K316-F374 HydrophobicContact CG-CD2 4.41Å; K316-F555 CarbonylContact O-C 3.56Å; K316-F555 WeakPolarHBondContact O-CB 3.32Å; K316-W556 PolarHBondContact O-N 3.29Å; K316-W556 VanDerWaalsContact O-O 3.05Å
317	P	88.9	Confident	91.9	Very high	24 Å²	24	28 Å²	28	16%	0.156	14%	0.14	C	C	.	.	S	Bend	trans	-80.9	-15.2	-179.1	28.3	-35.8	0	0	0	115.5	L366 A368 F555	P317-L366 VanDerWaalsContact CD-O 3.3Å; P317-L366 WeakPolarHBondContact CD-O 3.19Å; P317-A368 HydrophobicContact CG-CB 3.92Å; P317-F555 HydrophobicContact CB-CD1 4.36Å
318	A	90.3	Very high	91.9	Very high	3 Å²	3	27.4 Å²	27.4	3%	0.025	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	160	-179.5	0	0	0	0	0	112.3	L365 L366 L516	A318-L365 WeakPolarHBondContact O-CA 3.1Å; A318-L366 HydrophobicContact CB-CB 4.4Å; A318-L366 HydrophobicContact CB-CD1 4.38Å; A318-L366 PolarHBondContact O-N 2.8Å; A318-L516 HydrophobicContact CB-CD1 3.66Å; A318-L516 HydrophobicContact CB-CD2 3.83Å; A318-L516 HydrophobicContact CB-CG 4.34Å
319	C	92.5	Very high	92	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	157.6	160.4	83.5	0	0	0	0	112.3	A321 Q322 L323 V364 L365	C319-A321 VanDerWaalsContact C-N 3.27Å; C319-A321 PolarHBondContact O-N 2.88Å; C319-Q322 WeakPolarHBondContact O-CB 3.2Å; C319-Q322 PolarHBondContact O-N 2.82Å; C319-Q322 PolarHBondContact SG-NE2 2.83Å; C319-L323 PolarHBondContact O-N 2.81Å; C319-V364 WeakPolarHBondContact CA-O 3.48Å; C319-L365 HydrophobicContact CB-CD2 3.59Å
320	L	95.3	Very high	92.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.4	-32.2	-178.7	171.3	62.5	0	0	0	112.2	Q322 L323 L324 L330 Y338 A361 V364 L366 M428 M432	L320-Q322 VanDerWaalsContact C-N 3.27Å; L320-Q322 PolarHBondContact O-N 2.59Å; L320-L323 HydrophobicContact CD1-CD2 4.18Å; L320-L323 PolarHBondContact O-N 3.16Å; L320-L324 WeakPolarHBondContact O-CG 3.38Å; L320-L324 PolarHBondContact O-N 3.44Å; L320-L330 HydrophobicContact CD1-CD1 3.74Å; L320-Y338 HydrophobicContact CD1-CD2 3.65Å; L320-Y338 HydrophobicContact CD1-CE2 3.78Å; L320-A361 HydrophobicContact CB-CB 4.46Å; L320-A361 WeakPolarHBondContact CB-O 3.43Å; L320-A361 HydrophobicContact CD2-CB 4.22Å; L320-A361 HydrophobicContact CG-CB 4.01Å; L320-A361 PolarHBondContact N-O 3.38Å; L320-V364 HydrophobicContact CB-CB 4.19Å; L320-V364 HydrophobicContact CB-CG1 4.3Å; L320-V364 WeakPolarHBondContact CB-O 3.41Å; L320-V364 HydrophobicContact CD2-CB 4.2Å; L320-V364 HydrophobicContact CD2-CG1 4.15Å; L320-V364 PolarHBondContact N-O 2.95Å; L320-L366 HydrophobicContact CB-CD2 4.4Å; L320-M428 HydrophobicContact CD2-CE 4.48Å; L320-M428 HydrophobicContact CD2-CG 4.49Å; L320-M428 HydrophobicContact CD2-SD 4.07Å; L320-M432 HydrophobicContact CD1-CG 4.24Å; L320-M432 HydrophobicContact CD1-SD 4.01Å; L320-M432 HydrophobicContact CD2-CG 4.13Å; L320-M432 HydrophobicContact CD2-SD 3.67Å; L320-M432 HydrophobicContact CG-CG 4.48Å; L320-M432 HydrophobicContact CG-SD 4.38Å
321	A	92.2	Very high	92.4	Very high	5 Å²	5	30.1 Å²	30.1	4%	0.041	16%	0.162	C	C	.	.	H	α-helix	trans	-67.4	-21.3	173.3	0	0	0	0	0	114.4	C319 K325 A361 D362	C319-A321 VanDerWaalsContact C-N 3.27Å; C319-A321 PolarHBondContact O-N 2.88Å; A321-K325 WeakPolarHBondContact O-CG 3.47Å; A321-K325 PolarHBondContact O-N 3.31Å; A321-A361 HydrophobicContact CB-CB 4.08Å; A321-A361 PolarHBondContact N-O 3.08Å; A321-D362 HydrophobicContact CB-CB 4.13Å; A321-D362 WeakPolarHBondContact CB-OD1 3.49Å
322	Q	89.8	Confident	92.6	Very high	18 Å²	18	31.8 Å²	31.8	8%	0.084	17%	0.17	C	C	.	.	H	α-helix	trans	-79.3	-44	171	-69.3	143.6	4.8	0	0	110.7	C319 L320 L324 K325 E326 W556	C319-Q322 WeakPolarHBondContact O-CB 3.2Å; C319-Q322 PolarHBondContact O-N 2.82Å; C319-Q322 PolarHBondContact SG-NE2 2.83Å; L320-Q322 VanDerWaalsContact C-N 3.27Å; L320-Q322 PolarHBondContact O-N 2.59Å; Q322-L324 PolarHBondContact O-N 2.69Å; Q322-K325 WeakPolarHBondContact O-CB 3.35Å; Q322-K325 PolarHBondContact O-N 2.87Å; Q322-E326 PolarHBondContact O-N 3.05Å; Q322-E326 VanDerWaalsContact O-N 3.12Å; Q322-W556 VanDerWaalsContact NE2-CG 3.35Å
323	L	93.1	Very high	92.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-54.8	-37.9	173.5	-175.7	70.8	0	0	0	111.9	C319 L320 E326 I327 L330 Y338 L366 A512 L516	C319-L323 PolarHBondContact O-N 2.81Å; L320-L323 HydrophobicContact CD1-CD2 4.18Å; L320-L323 PolarHBondContact O-N 3.16Å; L323-E326 PolarHBondContact O-N 2.87Å; L323-I327 HydrophobicContact CD1-CD1 3.43Å; L323-I327 VanDerWaalsContact CD1-CD1 3.43Å; L323-I327 HydrophobicContact CD1-CG1 4.16Å; L323-I327 HydrophobicContact CG-CD1 4.08Å; L323-I327 WeakPolarHBondContact O-CG1 3.3Å; L323-I327 PolarHBondContact O-N 2.89Å; L323-I327 VanDerWaalsContact O-N 3.11Å; L323-L330 HydrophobicContact CD2-CD1 4.12Å; L323-L330 HydrophobicContact CD2-CD2 3.91Å; L323-L330 HydrophobicContact CG-CD2 4.04Å; L323-Y338 HydrophobicContact CD2-CE2 3.64Å; L323-L366 HydrophobicContact CB-CD1 4.07Å; L323-L366 HydrophobicContact CD2-CD1 3.92Å; L323-A512 HydrophobicContact CD1-CB 3.81Å; L323-A512 HydrophobicContact CD2-CB 4.24Å; L323-L516 HydrophobicContact CB-CD1 4.34Å; L323-L516 HydrophobicContact CB-CD2 4.4Å; L323-L516 HydrophobicContact CD1-CD1 3.73Å; L323-L516 HydrophobicContact CD1-CD2 4.4Å; L323-L516 HydrophobicContact CD1-CG 3.73Å
324	L	92.8	Very high	92.9	Very high	10 Å²	10	32.6 Å²	32.6	5%	0.052	17%	0.174	C	C	.	.	H	α-helix	trans	-67.5	-32.8	174.9	-68.5	172.3	0	0	0	113.6	L320 Q322 T328 L330 A361 M432	L320-L324 WeakPolarHBondContact O-CG 3.38Å; L320-L324 PolarHBondContact O-N 3.44Å; Q322-L324 PolarHBondContact O-N 2.69Å; L324-T328 CarbonylContact O-C 3.51Å; L324-T328 WeakPolarHBondContact O-CA 3.38Å; L324-T328 PolarHBondContact O-N 3.07Å; L324-L330 HydrophobicContact CD2-CD1 4.26Å; L324-L330 HydrophobicContact CD2-CD2 4.26Å; L324-L330 HydrophobicContact CD2-CG 3.75Å; L324-A361 HydrophobicContact CD1-CB 3.8Å; L324-M432 HydrophobicContact CD1-CG 4.4Å; L324-M432 HydrophobicContact CD2-CB 4.49Å; L324-M432 HydrophobicContact CD2-CG 4.41Å
325	K	90.4	Very high	93.1	Very high	145 Å²	145	30.7 Å²	30.7	63%	0.63	16%	0.164	S	C	*	.	H	α-helix	trans	-66.9	-40.9	173.6	-67.7	164.6	-169.4	172.5	0	111.3	A321 Q322	A321-K325 WeakPolarHBondContact O-CG 3.47Å; A321-K325 PolarHBondContact O-N 3.31Å; Q322-K325 WeakPolarHBondContact O-CB 3.35Å; Q322-K325 PolarHBondContact O-N 2.87Å
326	E	89.1	Confident	93.3	Very high	85 Å²	85	29.6 Å²	29.6	40%	0.397	16%	0.158	S	C	.	.	H	α-helix	trans	-75.4	-29.1	-176.7	-64.2	-49.7	134	0	0	114.7	Q322 L323 K515	Q322-E326 PolarHBondContact O-N 3.05Å; Q322-E326 VanDerWaalsContact O-N 3.12Å; L323-E326 PolarHBondContact O-N 2.87Å; E326-K515 HydrophobicContact CB-CB 4.39Å; E326-K515 HydrophobicContact CB-CD 4.24Å; E326-K515 WeakPolarHBondContact O-CD 3.43Å; E326-K515 WeakPolarHBondContact O-CE 3.48Å; E326-K515 PolarHBondContact O-NZ 3.24Å
327	I	86.6	Confident	93.6	Very high	40 Å²	40	29.6 Å²	29.6	21%	0.205	16%	0.158	C	C	.	.	H	α-helix	trans	-112.9	-8.6	-172.7	-48.7	-169.7	0	0	0	112	L323 C329 L330 A512 K515	L323-I327 HydrophobicContact CD1-CD1 3.43Å; L323-I327 VanDerWaalsContact CD1-CD1 3.43Å; L323-I327 HydrophobicContact CD1-CG1 4.16Å; L323-I327 HydrophobicContact CG-CD1 4.08Å; L323-I327 WeakPolarHBondContact O-CG1 3.3Å; L323-I327 PolarHBondContact O-N 2.89Å; L323-I327 VanDerWaalsContact O-N 3.11Å; I327-C329 WeakPolarHBondContact CG2-O 3.46Å; I327-C329 PolarHBondContact O-N 3.28Å; I327-L330 HydrophobicContact CB-CD2 4.46Å; I327-L330 HydrophobicContact CD1-CD2 4.48Å; I327-A512 HydrophobicContact CD1-CB 4.35Å; I327-K515 HydrophobicContact CD1-CB 3.79Å; I327-K515 HydrophobicContact CD1-CG 3.97Å; I327-K515 HydrophobicContact CG1-CB 3.87Å; I327-K515 HydrophobicContact CG1-CD 4.23Å; I327-K515 HydrophobicContact CG1-CG 3.83Å
328	T	87.2	Confident	94	Very high	98 Å²	98	28.5 Å²	28.5	60%	0.601	15%	0.151	S	C	*	.	S	Bend	trans	65.3	-56.9	-168.7	71.9	0	0	0	0	113.6	L324 G435	L324-T328 CarbonylContact O-C 3.51Å; L324-T328 WeakPolarHBondContact O-CA 3.38Å; L324-T328 PolarHBondContact O-N 3.07Å; T328-G435 WeakPolarHBondContact O-CA 3.25Å
329	C	93.1	Very high	94.4	Very high	54 Å²	54	28.3 Å²	28.3	37%	0.365	15%	0.15	S	C	.	.	S	Bend	trans	-142.7	159.3	175.5	60.9	0	0	0	0	111.4	I327	I327-C329 WeakPolarHBondContact CG2-O 3.46Å; I327-C329 PolarHBondContact O-N 3.28Å
330	L	96.4	Very high	94.7	Very high	6 Å²	6	30.2 Å²	30.2	3%	0.031	16%	0.159	C	C	.	.			trans	-100	146.1	-179.5	-57.7	-172.8	0	0	0	112	L320 L323 L324 I327 L334 A335 Y338 M432	L320-L330 HydrophobicContact CD1-CD1 3.74Å; L323-L330 HydrophobicContact CD2-CD1 4.12Å; L323-L330 HydrophobicContact CD2-CD2 3.91Å; L323-L330 HydrophobicContact CG-CD2 4.04Å; L324-L330 HydrophobicContact CD2-CD1 4.26Å; L324-L330 HydrophobicContact CD2-CD2 4.26Å; L324-L330 HydrophobicContact CD2-CG 3.75Å; I327-L330 HydrophobicContact CB-CD2 4.46Å; I327-L330 HydrophobicContact CD1-CD2 4.48Å; L330-L334 HydrophobicContact CD1-CD2 4.24Å; L330-L334 HydrophobicContact CD1-CG 4.43Å; L330-L334 HydrophobicContact CD2-CD2 4.19Å; L330-A335 HydrophobicContact CB-CB 4.28Å; L330-Y338 HydrophobicContact CD1-CD2 3.81Å; L330-Y338 HydrophobicContact CD1-CE2 3.76Å; L330-M432 HydrophobicContact CD1-CB 4.35Å; L330-M432 HydrophobicContact CD1-CG 4.09Å; L330-M432 HydrophobicContact CD1-SD 4Å; L330-M432 PolarHBondContact N-O 3.02Å
331	P	96.7	Very high	94.9	Very high	56 Å²	56	30.8 Å²	30.8	36%	0.364	16%	0.161	S	C	.	.			trans	-64.5	153.7	169.6	29.5	-34.8	0	0	0	111	D333 L334 A335 S508	P331-D333 VanDerWaalsContact C-N 3.27Å; P331-D333 WeakPolarHBondContact CB-OD1 3.31Å; P331-D333 WeakPolarHBondContact CG-OD1 3.49Å; P331-D333 PolarHBondContact O-N 3.4Å; P331-L334 HydrophobicContact CG-CB 4.07Å; P331-L334 PolarHBondContact O-N 3.49Å; P331-A335 PolarHBondContact O-N 3.31Å; P331-S508 WeakPolarHBondContact CG-OG 3.39Å
332	E	98.1	Very high	95.2	Very high	35 Å²	35	30.6 Å²	30.6	16%	0.164	16%	0.159	C	C	.	.	H	α-helix	trans	-60.1	-34.2	-170	-169.7	176.2	-172.5	0	0	113.1	L336 L433 N466 T469 V501	E332-L336 HydrophobicContact CG-CD1 3.9Å; E332-L336 HydrophobicContact CG-CG 4.39Å; E332-L336 VanDerWaalsContact O-CB 3.25Å; E332-L336 WeakPolarHBondContact O-CB 3.49Å; E332-L336 WeakPolarHBondContact O-CD1 3.21Å; E332-L336 WeakPolarHBondContact O-CG 3.48Å; E332-L336 PolarHBondContact O-N 2.75Å; E332-L433 HydrophobicContact CB-CD2 4.43Å; E332-N466 WeakPolarHBondContact OE1-CB 3.45Å; E332-N466 PolarHBondContact OE1-N 3.44Å; E332-N466 PolarHBondContact OE2-N 2.97Å; E332-T469 HydrophobicContact CG-CG2 4.44Å; E332-T469 WeakPolarHBondContact OE1-CB 3.4Å; E332-T469 WeakPolarHBondContact OE1-CG2 3.34Å; E332-T469 PolarHBondContact OE1-OG1 3.11Å; E332-V501 HydrophobicContact CG-CG1 4.13Å
333	D	98.3	Very high	95.6	Very high	16 Å²	16	29.7 Å²	29.7	9%	0.086	16%	0.155	C	C	.	.	H	α-helix	trans	-64.6	-47.3	177.5	69.3	-36.4	0	0	0	112.6	P331 H337 L498 V501 G503 S505 S508	P331-D333 VanDerWaalsContact C-N 3.27Å; P331-D333 WeakPolarHBondContact CB-OD1 3.31Å; P331-D333 WeakPolarHBondContact CG-OD1 3.49Å; P331-D333 PolarHBondContact O-N 3.4Å; D333-H337 VanDerWaalsContact O-CB 3.3Å; D333-H337 WeakPolarHBondContact O-CB 3.33Å; D333-H337 PolarHBondContact O-N 3.19Å; D333-L498 HydrophobicContact CB-CD1 4.39Å; D333-L498 VanDerWaalsContact O-CD1 3.25Å; D333-L498 WeakPolarHBondContact O-CD1 3.18Å; D333-V501 HydrophobicContact CB-CG2 4.08Å; D333-G503 WeakPolarHBondContact CB-O 3.44Å; D333-S505 WeakPolarHBondContact OD2-CA 3.36Å; D333-S505 VanDerWaalsContact OD2-CB 3.24Å; D333-S505 WeakPolarHBondContact OD2-CB 3.41Å; D333-S505 PolarHBondContact OD2-N 2.88Å; D333-S505 PolarHBondContact OD2-OG 3.14Å; D333-S508 VanDerWaalsContact CG-OG 3.26Å; D333-S508 WeakPolarHBondContact OD1-CB 3.19Å; D333-S508 PolarHBondContact OD1-OG 3.17Å; D333-S508 WeakPolarHBondContact OD2-CB 3.23Å; D333-S508 PolarHBondContact OD2-OG 2.97Å
334	L	98.2	Very high	95.9	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-69.6	-41.7	179.3	-171	65.4	0	0	0	111.6	L330 P331 H337 Y338 L504 A512	L330-L334 HydrophobicContact CD1-CD2 4.24Å; L330-L334 HydrophobicContact CD1-CG 4.43Å; L330-L334 HydrophobicContact CD2-CD2 4.19Å; P331-L334 HydrophobicContact CG-CB 4.07Å; P331-L334 PolarHBondContact O-N 3.49Å; L334-H337 PolarHBondContact O-N 2.97Å; L334-Y338 HydrophobicContact CD1-CD1 4.39Å; L334-Y338 HydrophobicContact CD1-CE1 3.79Å; L334-Y338 HydrophobicContact CD1-CE2 3.99Å; L334-Y338 HydrophobicContact CD2-CE2 4.03Å; L334-Y338 HydrophobicContact CG-CD2 4.17Å; L334-Y338 HydrophobicContact CG-CE1 4.39Å; L334-Y338 HydrophobicContact CG-CE2 3.7Å; L334-Y338 PolarHBondContact O-N 2.81Å; L334-L504 HydrophobicContact CB-CD1 4.32Å; L334-L504 HydrophobicContact CD1-CD1 3.79Å; L334-A512 HydrophobicContact CD2-CB 3.85Å
335	A	98.5	Very high	96.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64	-41.1	178.1	0	0	0	0	0	112.2	L330 P331 L339 L429 M432 L433	L330-A335 HydrophobicContact CB-CB 4.28Å; P331-A335 PolarHBondContact O-N 3.31Å; A335-L339 WeakPolarHBondContact O-CB 3.31Å; A335-L339 PolarHBondContact O-N 3.34Å; A335-L429 HydrophobicContact CB-CD1 3.79Å; A335-M432 HydrophobicContact CB-CB 3.95Å; A335-M432 HydrophobicContact CB-CE 4.35Å; A335-M432 HydrophobicContact CB-SD 4.23Å; A335-M432 VanDerWaalsContact O-CE 3.3Å; A335-M432 WeakPolarHBondContact O-CE 3.32Å; A335-L433 HydrophobicContact CB-CD2 3.64Å; A335-L433 HydrophobicContact CB-CG 4.22Å
336	L	98.8	Very high	96.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-67.6	-36.2	173.9	-76.8	170	0	0	0	112.9	E332 H340 T469 A497 L498 V501	E332-L336 HydrophobicContact CG-CD1 3.9Å; E332-L336 HydrophobicContact CG-CG 4.39Å; E332-L336 VanDerWaalsContact O-CB 3.25Å; E332-L336 WeakPolarHBondContact O-CB 3.49Å; E332-L336 WeakPolarHBondContact O-CD1 3.21Å; E332-L336 WeakPolarHBondContact O-CG 3.48Å; E332-L336 PolarHBondContact O-N 2.75Å; L336-H340 WeakPolarHBondContact O-CB 3.5Å; L336-H340 PolarHBondContact O-N 3.24Å; L336-T469 HydrophobicContact CD2-CG2 4.05Å; L336-A497 HydrophobicContact CD1-CB 3.82Å; L336-A497 HydrophobicContact CD2-CB 3.8Å; L336-A497 HydrophobicContact CG-CB 4.47Å; L336-L498 HydrophobicContact CB-CB 4.22Å; L336-L498 HydrophobicContact CB-CD1 4.16Å; L336-V501 HydrophobicContact CD1-CG1 4.36Å; L336-V501 HydrophobicContact CD1-CG2 4.05Å
337	H	98.6	Very high	96.9	Very high	26 Å²	26	20.9 Å²	20.9	12%	0.12	12%	0.119	C	C	.	.	H	α-helix	trans	-66.1	-49.5	176.9	175.5	72.6	0	0	0	112.1	D333 L334 L339 H340 Q341 R371 L498 L504	D333-H337 VanDerWaalsContact O-CB 3.3Å; D333-H337 WeakPolarHBondContact O-CB 3.33Å; D333-H337 PolarHBondContact O-N 3.19Å; L334-H337 PolarHBondContact O-N 2.97Å; H337-L339 VanDerWaalsContact C-N 3.32Å; H337-L339 PolarHBondContact O-N 3.46Å; H337-H340 WeakPolarHBondContact O-CB 3.37Å; H337-H340 PolarHBondContact O-N 2.86Å; H337-H340 VanDerWaalsContact O-N 3.14Å; H337-Q341 PolarHBondContact CE1-NE2 3.46Å; H337-Q341 PolarHBondContact NE2-NE2 2.98Å; H337-Q341 VanDerWaalsContact NE2-NE2 3.16Å; H337-Q341 PolarHBondContact O-N 2.84Å; H337-R371 PolarHBondContact NE2-O 3.24Å; H337-L498 HydrophobicContact CB-CD1 4.37Å; H337-L498 HydrophobicContact CB-CD2 4.1Å; H337-L504 HydrophobicContact CB-CD1 4Å; H337-L504 HydrophobicContact CB-CD2 4.35Å
338	Y	98.7	Very high	97.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.8	-38.7	174.4	-67.8	-19.3	0	0	0	112.2	L320 L323 L330 L334 Q341 T342 L366 C370 T373 M432	L320-Y338 HydrophobicContact CD1-CD2 3.65Å; L320-Y338 HydrophobicContact CD1-CE2 3.78Å; L323-Y338 HydrophobicContact CD2-CE2 3.64Å; L330-Y338 HydrophobicContact CD1-CD2 3.81Å; L330-Y338 HydrophobicContact CD1-CE2 3.76Å; L334-Y338 HydrophobicContact CD1-CD1 4.39Å; L334-Y338 HydrophobicContact CD1-CE1 3.79Å; L334-Y338 HydrophobicContact CD1-CE2 3.99Å; L334-Y338 HydrophobicContact CD2-CE2 4.03Å; L334-Y338 HydrophobicContact CG-CD2 4.17Å; L334-Y338 HydrophobicContact CG-CE1 4.39Å; L334-Y338 HydrophobicContact CG-CE2 3.7Å; L334-Y338 PolarHBondContact O-N 2.81Å; Y338-Q341 PolarHBondContact O-N 2.82Å; Y338-T342 WeakPolarHBondContact O-CB 3.44Å; Y338-T342 PolarHBondContact O-N 3.05Å; Y338-T342 PolarHBondContact O-OG1 3.1Å; Y338-L366 HydrophobicContact CE1-CD2 4.07Å; Y338-L366 HydrophobicContact CE2-CD2 4.24Å; Y338-C370 PolarHBondContact OH-O 2.98Å; Y338-T373 HydrophobicContact CD1-CG2 3.32Å; Y338-T373 HydrophobicContact CE1-CG2 3.99Å; Y338-T373 HydrophobicContact CG-CG2 3.71Å; Y338-M432 HydrophobicContact CD2-SD 4.05Å
339	L	98.8	Very high	97.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.6	-42.9	172.2	179.4	64.3	0	0	0	111.9	A335 H337 Q341 T342 L343 S425 L429 M432 V472 A494	A335-L339 WeakPolarHBondContact O-CB 3.31Å; A335-L339 PolarHBondContact O-N 3.34Å; H337-L339 VanDerWaalsContact C-N 3.32Å; H337-L339 PolarHBondContact O-N 3.46Å; L339-Q341 VanDerWaalsContact C-N 3.32Å; L339-Q341 PolarHBondContact O-N 2.88Å; L339-T342 PolarHBondContact O-N 3Å; L339-L343 HydrophobicContact CD1-CD1 3.82Å; L339-L343 HydrophobicContact CD1-CG 3.89Å; L339-L343 HydrophobicContact CD2-CD1 4.23Å; L339-L343 HydrophobicContact CG-CD1 3.68Å; L339-L343 HydrophobicContact CG-CG 4.22Å; L339-L343 WeakPolarHBondContact O-CB 3.46Å; L339-L343 VanDerWaalsContact O-CG 3.28Å; L339-L343 WeakPolarHBondContact O-CG 3.45Å; L339-L343 PolarHBondContact O-N 3.43Å; L339-S425 WeakPolarHBondContact CD1-O 3.49Å; L339-L429 HydrophobicContact CB-CD1 4.48Å; L339-L429 HydrophobicContact CD2-CB 4.14Å; L339-L429 HydrophobicContact CD2-CD1 4.35Å; L339-L429 HydrophobicContact CD2-CD2 3.67Å; L339-L429 HydrophobicContact CD2-CG 4.24Å; L339-M432 HydrophobicContact CB-CE 4.36Å; L339-V472 HydrophobicContact CD2-CG1 3.88Å; L339-A494 HydrophobicContact CD2-CB 4.46Å
340	H	98.6	Very high	97.9	Very high	40 Å²	40	15.8 Å²	15.8	19%	0.185	8%	0.082	C	C	.	.	H	α-helix	trans	-58.1	-44.6	176.8	172.4	101	0	0	0	111.7	L336 H337 G344 R491 T495	L336-H340 WeakPolarHBondContact O-CB 3.5Å; L336-H340 PolarHBondContact O-N 3.24Å; H337-H340 WeakPolarHBondContact O-CB 3.37Å; H337-H340 PolarHBondContact O-N 2.86Å; H337-H340 VanDerWaalsContact O-N 3.14Å; H340-G344 PolarHBondContact O-N 3.04Å; H340-G344 VanDerWaalsContact O-N 3.11Å; H340-R491 PolarHBondContact CE1-NE 3.37Å; H340-R491 PolarHBondContact NE2-NE 3.19Å; H340-R491 PolarHBondContact NE2-NH2 3.16Å; H340-R491 PolarHBondContact O-NE 3.13Å; H340-T495 PolarHBondContact CE1-OG1 2.84Å; H340-T495 PolarHBondContact ND1-OG1 3.05Å
341	Q	98.6	Very high	97.7	Very high	11 Å²	11	22.8 Å²	22.8	5%	0.051	11%	0.114	C	C	.	.	H	α-helix	trans	-69.5	-43.4	-178.9	-71.1	-177.3	-22.7	0	0	111.5	R295 H337 Y338 L339 L343 G344 A345 R371 D372 T373	R295-Q341 VanDerWaalsContact NH1-NE2 3.19Å; H337-Q341 PolarHBondContact CE1-NE2 3.46Å; H337-Q341 PolarHBondContact NE2-NE2 2.98Å; H337-Q341 VanDerWaalsContact NE2-NE2 3.16Å; H337-Q341 PolarHBondContact O-N 2.84Å; Y338-Q341 PolarHBondContact O-N 2.82Å; L339-Q341 VanDerWaalsContact C-N 3.32Å; L339-Q341 PolarHBondContact O-N 2.88Å; Q341-L343 PolarHBondContact O-N 2.93Å; Q341-G344 WeakPolarHBondContact O-CA 3.26Å; Q341-G344 PolarHBondContact O-N 3.45Å; Q341-A345 PolarHBondContact O-N 2.78Å; Q341-R371 PolarHBondContact NE2-O 3.07Å; Q341-R371 PolarHBondContact OE1-O 3Å; Q341-D372 PolarHBondContact NE2-OD1 3.4Å; Q341-T373 VanDerWaalsContact CB-OG1 3.24Å; Q341-T373 WeakPolarHBondContact CB-OG1 3.24Å
342	T	98.8	Very high	97.5	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	12%	0.12	C	C	.	.	H	α-helix	trans	-62.9	-42.5	175.7	-50.3	0	0	0	0	111.6	Y338 L339 G344 A345 L346 V359 V364 L375 M428	Y338-T342 WeakPolarHBondContact O-CB 3.44Å; Y338-T342 PolarHBondContact O-N 3.05Å; Y338-T342 PolarHBondContact O-OG1 3.1Å; L339-T342 PolarHBondContact O-N 3Å; T342-G344 PolarHBondContact O-N 2.87Å; T342-A345 WeakPolarHBondContact O-CB 3.4Å; T342-A345 PolarHBondContact O-N 2.87Å; T342-L346 PolarHBondContact O-N 2.96Å; T342-V359 HydrophobicContact CG2-CG1 4.26Å; T342-V364 HydrophobicContact CG2-CG2 4.05Å; T342-L375 HydrophobicContact CG2-CD1 4.29Å; T342-M428 HydrophobicContact CG2-CE 4.04Å
343	L	98.7	Very high	97.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-64.8	-21.4	172.2	-72.7	168.4	0	0	0	113.2	L339 Q341 L346 E347 A487 L490 R491 A494	L339-L343 HydrophobicContact CD1-CD1 3.82Å; L339-L343 HydrophobicContact CD1-CG 3.89Å; L339-L343 HydrophobicContact CD2-CD1 4.23Å; L339-L343 HydrophobicContact CG-CD1 3.68Å; L339-L343 HydrophobicContact CG-CG 4.22Å; L339-L343 WeakPolarHBondContact O-CB 3.46Å; L339-L343 VanDerWaalsContact O-CG 3.28Å; L339-L343 WeakPolarHBondContact O-CG 3.45Å; L339-L343 PolarHBondContact O-N 3.43Å; Q341-L343 PolarHBondContact O-N 2.93Å; L343-L346 HydrophobicContact CD2-CD1 4.2Å; L343-E347 VanDerWaalsContact O-CB 3.29Å; L343-E347 WeakPolarHBondContact O-CB 3.35Å; L343-E347 PolarHBondContact O-N 3.27Å; L343-A487 HydrophobicContact CD2-CB 4.18Å; L343-L490 HydrophobicContact CD1-CB 4.06Å; L343-L490 HydrophobicContact CD1-CD2 3.95Å; L343-L490 HydrophobicContact CD1-CG 3.92Å; L343-L490 HydrophobicContact CD2-CB 4.35Å; L343-L490 HydrophobicContact CD2-CD2 4.07Å; L343-R491 HydrophobicContact CB-CB 3.87Å; L343-R491 HydrophobicContact CB-CG 4.05Å; L343-R491 HydrophobicContact CD1-CB 4.31Å; L343-A494 HydrophobicContact CD1-CB 4.43Å
344	G	98.3	Very high	96.9	Very high	11 Å²	11	26.7 Å²	26.7	11%	0.113	13%	0.125	C	C	.	.	H	α-helix	trans	-72.1	-34.3	169.9	0	0	0	0	0	113.1	H340 Q341 T342 H348	H340-G344 PolarHBondContact O-N 3.04Å; H340-G344 VanDerWaalsContact O-N 3.11Å; Q341-G344 WeakPolarHBondContact O-CA 3.26Å; Q341-G344 PolarHBondContact O-N 3.45Å; T342-G344 PolarHBondContact O-N 2.87Å; G344-H348 PolarHBondContact O-N 3.17Å
345	A	98.1	Very high	96.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-66.1	-50.2	168.4	0	0	0	0	0	110.6	R295 V296 Q341 T342 E347 H348 L349 L375	R295-A345 HydrophobicContact CB-CB 3.8Å; R295-A345 VanDerWaalsContact O-CB 3.31Å; R295-A345 WeakPolarHBondContact O-CB 3.34Å; V296-A345 HydrophobicContact CG2-CB 4.24Å; Q341-A345 PolarHBondContact O-N 2.78Å; T342-A345 WeakPolarHBondContact O-CB 3.4Å; T342-A345 PolarHBondContact O-N 2.87Å; A345-E347 VanDerWaalsContact C-N 3.34Å; A345-E347 PolarHBondContact O-N 2.94Å; A345-H348 WeakPolarHBondContact O-CA 3.22Å; A345-H348 WeakPolarHBondContact O-CB 3.26Å; A345-H348 PolarHBondContact O-N 3.41Å; A345-L349 VanDerWaalsContact O-CD1 3.27Å; A345-L349 WeakPolarHBondContact O-CD1 3.3Å; A345-L349 PolarHBondContact O-N 2.85Å; A345-L375 HydrophobicContact CB-CB 3.83Å; A345-L375 HydrophobicContact CB-CD2 3.75Å; A345-L375 HydrophobicContact CB-CG 4.48Å
346	L	98.3	Very high	96.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.4	-38.3	179.7	-61.9	178.5	0	0	0	112.6	T342 L343 H348 L349 H350 H356 V359 L375 D421 A487	T342-L346 PolarHBondContact O-N 2.96Å; L343-L346 HydrophobicContact CD2-CD1 4.2Å; L346-H348 PolarHBondContact O-N 3.01Å; L346-L349 HydrophobicContact CD2-CD2 4.25Å; L346-L349 PolarHBondContact O-N 2.97Å; L346-H350 VanDerWaalsContact O-CB 3.28Å; L346-H350 WeakPolarHBondContact O-CB 2.88Å; L346-H350 PolarHBondContact O-CD2 2.85Å; L346-H350 PolarHBondContact O-N 2.84Å; L346-H356 HydrophobicContact CD2-CB 4.3Å; L346-V359 HydrophobicContact CD1-CG1 4.36Å; L346-V359 HydrophobicContact CD1-CG2 4.36Å; L346-V359 HydrophobicContact CD2-CG2 3.89Å; L346-L375 HydrophobicContact CD2-CD2 3.79Å; L346-L375 HydrophobicContact CG-CD2 4.45Å; L346-D421 HydrophobicContact CD1-CB 3.94Å; L346-D421 HydrophobicContact CD2-CB 3.92Å; L346-D421 HydrophobicContact CG-CB 4.48Å; L346-A487 HydrophobicContact CB-CB 3.84Å
347	E	97.4	Very high	96.1	Very high	44 Å²	44	27.9 Å²	27.9	21%	0.206	13%	0.131	C	C	.	.	H	α-helix	trans	-58	-34.3	172.6	-179.1	173.3	-166.5	0	0	112.4	L343 A345 H351 K488 R491	L343-E347 VanDerWaalsContact O-CB 3.29Å; L343-E347 WeakPolarHBondContact O-CB 3.35Å; L343-E347 PolarHBondContact O-N 3.27Å; A345-E347 VanDerWaalsContact C-N 3.34Å; A345-E347 PolarHBondContact O-N 2.94Å; E347-H351 WeakPolarHBondContact O-CB 3.24Å; E347-H351 PolarHBondContact O-N 2.81Å; E347-K488 HydrophobicContact CG-CB 4.14Å; E347-K488 WeakPolarHBondContact OE1-CD 3.5Å; E347-K488 WeakPolarHBondContact OE1-CE 3.39Å; E347-K488 WeakPolarHBondContact OE1-CG 3.37Å; E347-K488 IonicContact OE1-NZ 3.23Å; E347-K488 PolarHBondContact OE1-NZ 2.54Å; E347-R491 WeakPolarHBondContact OE2-CD 3.43Å; E347-R491 IonicContact OE2-CZ 2.73Å; E347-R491 IonicContact OE2-NH1 3.4Å; E347-R491 PolarHBondContact OE2-NH1 2.68Å
348	H	96.3	Very high	95.8	Very high	58 Å²	58	26.7 Å²	26.7	27%	0.269	13%	0.125	S	C	.	.	H	α-helix	trans	-76.1	-48.1	175.3	178.2	93	0	0	0	112.6	N292 G344 A345 L346 H350 H351 K352	N292-H348 PolarHBondContact O-NE2 2.61Å; G344-H348 PolarHBondContact O-N 3.17Å; A345-H348 WeakPolarHBondContact O-CA 3.22Å; A345-H348 WeakPolarHBondContact O-CB 3.26Å; A345-H348 PolarHBondContact O-N 3.41Å; L346-H348 PolarHBondContact O-N 3.01Å; H348-H350 VanDerWaalsContact C-N 3.35Å; H348-H350 PolarHBondContact O-N 3.32Å; H348-H351 PolarHBondContact O-N 2.79Å; H348-K352 PolarHBondContact O-N 3.25Å
349	L	95.4	Very high	95.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-54.4	-50.9	175.3	-89.7	66.1	0	0	0	110.7	L291 V296 A345 L346 H351 K352 K353 V354 H356 L375 F378	L291-L349 HydrophobicContact CD1-CD1 4.01Å; L291-L349 HydrophobicContact CD1-CG 4.24Å; L291-L349 HydrophobicContact CD2-CD1 4.31Å; L291-L349 HydrophobicContact CD2-CG 4.39Å; V296-L349 HydrophobicContact CG2-CD1 3.81Å; A345-L349 VanDerWaalsContact O-CD1 3.27Å; A345-L349 WeakPolarHBondContact O-CD1 3.3Å; A345-L349 PolarHBondContact O-N 2.85Å; L346-L349 HydrophobicContact CD2-CD2 4.25Å; L346-L349 PolarHBondContact O-N 2.97Å; L349-H351 VanDerWaalsContact C-N 3.29Å; L349-H351 PolarHBondContact O-N 3.37Å; L349-K352 CarbonylContact O-C 3.56Å; L349-K352 WeakPolarHBondContact O-CA 3.49Å; L349-K352 WeakPolarHBondContact O-CB 3.33Å; L349-K352 PolarHBondContact O-N 2.8Å; L349-K353 PolarHBondContact O-N 3.4Å; L349-K353 VanDerWaalsContact O-N 3.15Å; L349-V354 CarbonylContact C-O 3.55Å; L349-V354 VanDerWaalsContact C-O 3.31Å; L349-V354 HydrophobicContact CB-CB 4.2Å; L349-V354 HydrophobicContact CB-CG1 4.49Å; L349-V354 HydrophobicContact CD2-CG1 4.26Å; L349-V354 HydrophobicContact CG-CB 4.29Å; L349-V354 HydrophobicContact CG-CG1 4.14Å; L349-V354 PolarHBondContact O-N 3.06Å; L349-H356 HydrophobicContact CD2-CB 3.9Å; L349-L375 HydrophobicContact CD2-CD2 4.25Å; L349-F378 HydrophobicContact CD1-CE1 4.37Å; L349-F378 HydrophobicContact CD2-CE1 3.98Å; L349-F378 HydrophobicContact CG-CE1 4.34Å
350	H	95.3	Very high	95.6	Very high	27 Å²	27	26.9 Å²	26.9	13%	0.125	13%	0.126	C	C	.	.	H	α-helix	trans	-66.2	-30.9	-176.9	-61.6	175.9	0	0	0	112.3	L346 H348 K353 V354 S418 D421	L346-H350 VanDerWaalsContact O-CB 3.28Å; L346-H350 WeakPolarHBondContact O-CB 2.88Å; L346-H350 PolarHBondContact O-CD2 2.85Å; L346-H350 PolarHBondContact O-N 2.84Å; H348-H350 VanDerWaalsContact C-N 3.35Å; H348-H350 PolarHBondContact O-N 3.32Å; H350-K353 PolarHBondContact O-N 2.67Å; H350-V354 PolarHBondContact CD2-O 2.98Å; H350-S418 PolarHBondContact CE1-O 3.4Å; H350-S418 PolarHBondContact NE2-O 2.84Å; H350-D421 IonicContact CD2-OD2 2.83Å; H350-D421 IonicContact CE1-OD2 3.3Å; H350-D421 IonicContact NE2-OD2 3.89Å; H350-D421 PolarHBondContact NE2-OD2 3.23Å
351	H	94	Very high	95.4	Very high	152 Å²	152	25 Å²	25	70%	0.704	12%	0.117	S	C	*	.	H	α-helix	trans	-68.9	-34.9	171.2	177	55.7	0	0	0	112.2	E347 H348 L349 K353	E347-H351 WeakPolarHBondContact O-CB 3.24Å; E347-H351 PolarHBondContact O-N 2.81Å; H348-H351 PolarHBondContact O-N 2.79Å; L349-H351 VanDerWaalsContact C-N 3.29Å; L349-H351 PolarHBondContact O-N 3.37Å; H351-K353 PolarHBondContact O-N 2.97Å
352	K	91.5	Very high	95.1	Very high	110 Å²	110	25.6 Å²	25.6	48%	0.478	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	8.6	172.6	-71.7	-69.6	-170.2	171.7	0	114.3	L291 H348 L349 V354	L291-K352 HydrophobicContact CD2-CB 4.32Å; L291-K352 HydrophobicContact CD2-CG 4.38Å; H348-K352 PolarHBondContact O-N 3.25Å; L349-K352 CarbonylContact O-C 3.56Å; L349-K352 WeakPolarHBondContact O-CA 3.49Å; L349-K352 WeakPolarHBondContact O-CB 3.33Å; L349-K352 PolarHBondContact O-N 2.8Å; K352-V354 HydrophobicContact CB-CG2 4.34Å; K352-V354 PolarHBondContact O-N 2.92Å
353	K	91.9	Very high	94.9	Very high	76 Å²	76	25.5 Å²	25.5	33%	0.33	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	25.5	-174.4	-60.4	176.4	-175.8	160.8	0	114.2	L349 H350 H351 L384 D386	L349-K353 PolarHBondContact O-N 3.4Å; L349-K353 VanDerWaalsContact O-N 3.15Å; H350-K353 PolarHBondContact O-N 2.67Å; H351-K353 PolarHBondContact O-N 2.97Å; K353-L384 HydrophobicContact CB-CB 4.24Å; K353-L384 WeakPolarHBondContact O-CB 3.49Å; K353-L384 WeakPolarHBondContact O-CG 3.33Å; K353-L384 PolarHBondContact O-N 3.05Å; K353-D386 IonicContact NZ-OD1 2.66Å; K353-D386 PolarHBondContact NZ-OD1 2.84Å
354	V	91.6	Very high	94.8	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.024	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	143	173.4	179.1	0	0	0	0	109.7	T287 L291 L349 H350 K352 E382	T287-V354 HydrophobicContact CG2-CB 4.3Å; T287-V354 HydrophobicContact CG2-CG1 3.45Å; T287-V354 VanDerWaalsContact CG2-CG1 3.45Å; T287-V354 HydrophobicContact CG2-CG2 3.79Å; L291-V354 HydrophobicContact CD2-CG2 4.41Å; L349-V354 CarbonylContact C-O 3.55Å; L349-V354 VanDerWaalsContact C-O 3.31Å; L349-V354 HydrophobicContact CB-CB 4.2Å; L349-V354 HydrophobicContact CB-CG1 4.49Å; L349-V354 HydrophobicContact CD2-CG1 4.26Å; L349-V354 HydrophobicContact CG-CB 4.29Å; L349-V354 HydrophobicContact CG-CG1 4.14Å; L349-V354 PolarHBondContact O-N 3.06Å; H350-V354 PolarHBondContact CD2-O 2.98Å; K352-V354 HydrophobicContact CB-CG2 4.34Å; K352-V354 PolarHBondContact O-N 2.92Å; V354-E382 WeakPolarHBondContact CA-O 3.44Å
355	V	93.2	Very high	94.8	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	141.9	167.7	-168.3	0	0	0	0	108.7	L357 S381 E382 L384 D421	V355-L357 HydrophobicContact CB-CD2 4.23Å; V355-L357 HydrophobicContact CB-CG 4.5Å; V355-L357 HydrophobicContact CG1-CD2 3.42Å; V355-L357 VanDerWaalsContact CG1-CD2 3.42Å; V355-L357 HydrophobicContact CG1-CG 4.07Å; V355-S381 CarbonylContact O-C 3.58Å; V355-S381 WeakPolarHBondContact O-CA 3.27Å; V355-S381 WeakPolarHBondContact O-CB 3.46Å; V355-S381 PolarHBondContact O-OG 3.34Å; V355-E382 PolarHBondContact N-O 2.87Å; V355-E382 PolarHBondContact O-N 2.78Å; V355-L384 HydrophobicContact CG2-CD1 3.49Å; V355-L384 VanDerWaalsContact CG2-CD1 3.49Å; V355-L384 HydrophobicContact CG2-CD2 3.65Å; V355-L384 HydrophobicContact CG2-CG 3.65Å; V355-D421 VanDerWaalsContact CG1-OD1 3.32Å; V355-D421 WeakPolarHBondContact CG1-OD1 3.49Å; V355-D421 VanDerWaalsContact CG1-OD2 3.31Å; V355-D421 WeakPolarHBondContact CG1-OD2 3.37Å
356	H	93.9	Very high	94.7	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.115	C	C	.	.			trans	-90	-35.8	-170.3	-168.5	-65.4	0	0	0	113.9	L346 L349 D358 V359 L375 C376 D377 D421	L346-H356 HydrophobicContact CD2-CB 4.3Å; L349-H356 HydrophobicContact CD2-CB 3.9Å; H356-D358 PolarHBondContact O-N 3.25Å; H356-V359 HydrophobicContact CB-CG2 3.71Å; H356-L375 WeakPolarHBondContact CD2-CD2 3.44Å; H356-L375 WeakPolarHBondContact NE2-CD1 3.07Å; H356-L375 VanDerWaalsContact NE2-CG 3.3Å; H356-L375 WeakPolarHBondContact NE2-CG 3.21Å; H356-C376 PolarHBondContact CE1-O 3.34Å; H356-C376 PolarHBondContact NE2-O 3.43Å; H356-C376 VanDerWaalsContact NE2-O 3.07Å; H356-D377 PolarHBondContact CE1-O 3.38Å; H356-D377 PolarHBondContact NE2-O 3.31Å; H356-D377 VanDerWaalsContact NE2-O 3.1Å; H356-D421 PolarHBondContact N-OD1 2.66Å; H356-D421 VanDerWaalsContact N-OD1 3.14Å; H356-D421 PolarHBondContact N-OD2 2.92Å
357	L	92.4	Very high	94.5	Very high	26 Å²	26	25.8 Å²	25.8	14%	0.136	12%	0.12	C	C	.	.	S	Bend	trans	63.1	-23.2	177.8	-53.6	-175.6	0	0	0	117.8	V355 L380 E382 V416 A420 D421	V355-L357 HydrophobicContact CB-CD2 4.23Å; V355-L357 HydrophobicContact CB-CG 4.5Å; V355-L357 HydrophobicContact CG1-CD2 3.42Å; V355-L357 VanDerWaalsContact CG1-CD2 3.42Å; V355-L357 HydrophobicContact CG1-CG 4.07Å; L357-L380 WeakPolarHBondContact CD1-O 3.5Å; L357-E382 HydrophobicContact CD1-CG 3.9Å; L357-V416 HydrophobicContact CD1-CG1 4.05Å; L357-V416 HydrophobicContact CD2-CG1 3.4Å; L357-V416 HydrophobicContact CG-CG1 4.37Å; L357-A420 HydrophobicContact CD2-CB 4.2Å; L357-D421 PolarHBondContact N-OD1 3.43Å
358	D	92.6	Very high	94.2	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	13%	0.134	C	C	.	.			trans	-121.4	50.3	174.8	-156.1	30	0	0	0	113.7	H356 K360 N363 L380 T402	H356-D358 PolarHBondContact O-N 3.25Å; D358-K360 PolarHBondContact O-N 3.4Å; D358-K360 IonicContact OD1-NZ 3.06Å; D358-K360 WeakPolarHBondContact OD2-CE 3.38Å; D358-K360 IonicContact OD2-NZ 3.7Å; D358-K360 PolarHBondContact OD2-NZ 2.76Å; D358-N363 PolarHBondContact O-ND2 3.16Å; D358-N363 PolarHBondContact OD2-ND2 3.21Å; D358-L380 HydrophobicContact CB-CD1 4.03Å; D358-T402 VanDerWaalsContact OD1-CB 3.28Å; D358-T402 WeakPolarHBondContact OD1-CB 3.06Å; D358-T402 PolarHBondContact OD1-N 3.03Å; D358-T402 PolarHBondContact OD1-OG1 3.18Å
359	V	96.9	Very high	94.1	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.			trans	-75.3	104.7	177	-175.5	0	0	0	0	110.4	T342 L346 H356 H405 D421 S424	T342-V359 HydrophobicContact CG2-CG1 4.26Å; L346-V359 HydrophobicContact CD1-CG1 4.36Å; L346-V359 HydrophobicContact CD1-CG2 4.36Å; L346-V359 HydrophobicContact CD2-CG2 3.89Å; H356-V359 HydrophobicContact CB-CG2 3.71Å; V359-H405 PolarHBondContact O-CD2 2.96Å; V359-D421 HydrophobicContact CG2-CB 3.93Å; V359-S424 WeakPolarHBondContact O-CB 3.15Å
360	K	95.2	Very high	94	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.017	14%	0.14	C	C	.	.	S	Bend	trans	-148.5	168	-178.2	72.5	-160.4	-173.8	-162.9	0	111.7	D358 D362 N363 T402	D358-K360 PolarHBondContact O-N 3.4Å; D358-K360 IonicContact OD1-NZ 3.06Å; D358-K360 WeakPolarHBondContact OD2-CE 3.38Å; D358-K360 IonicContact OD2-NZ 3.7Å; D358-K360 PolarHBondContact OD2-NZ 2.76Å; K360-D362 HydrophobicContact CD-CB 4.25Å; K360-D362 HydrophobicContact CG-CB 3.92Å; K360-D362 PolarHBondContact O-N 3.36Å; K360-N363 HydrophobicContact CG-CB 4.16Å; K360-N363 PolarHBondContact O-N 3.34Å; K360-T402 HydrophobicContact CD-CG2 4.34Å; K360-T402 WeakPolarHBondContact CD-OG1 3.39Å; K360-T402 PolarHBondContact NZ-OG1 3.49Å
361	A	95.4	Very high	94	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-58.9	-29.6	-178.8	0	0	0	0	0	113.8	L320 A321 L324 M428	L320-A361 HydrophobicContact CB-CB 4.46Å; L320-A361 WeakPolarHBondContact CB-O 3.43Å; L320-A361 HydrophobicContact CD2-CB 4.22Å; L320-A361 HydrophobicContact CG-CB 4.01Å; L320-A361 PolarHBondContact N-O 3.38Å; A321-A361 HydrophobicContact CB-CB 4.08Å; A321-A361 PolarHBondContact N-O 3.08Å; L324-A361 HydrophobicContact CD1-CB 3.8Å; A361-M428 HydrophobicContact CB-CG 4.29Å
362	D	91.9	Very high	94.1	Very high	23 Å²	23	27.7 Å²	27.7	12%	0.123	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-67.1	-37.9	176.8	-53.1	-95.7	0	0	0	111.5	A321 K360 V364 S558 P559	A321-D362 HydrophobicContact CB-CB 4.13Å; A321-D362 WeakPolarHBondContact CB-OD1 3.49Å; K360-D362 HydrophobicContact CD-CB 4.25Å; K360-D362 HydrophobicContact CG-CB 3.92Å; K360-D362 PolarHBondContact O-N 3.36Å; D362-V364 VanDerWaalsContact C-N 3.29Å; D362-V364 PolarHBondContact O-N 2.91Å; D362-S558 VanDerWaalsContact O-CA 3.25Å; D362-S558 WeakPolarHBondContact O-CA 3.43Å; D362-S558 WeakPolarHBondContact O-CB 3.19Å; D362-P559 HydrophobicContact CB-CB 3.93Å; D362-P559 HydrophobicContact CB-CG 3.92Å; D362-P559 WeakPolarHBondContact OD1-CG 3.29Å
363	N	94.8	Very high	94.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-87.4	10.3	-176.3	-70.9	-7.8	0	0	0	113.9	D358 K360 C376 D377 S558	D358-N363 PolarHBondContact O-ND2 3.16Å; D358-N363 PolarHBondContact OD2-ND2 3.21Å; K360-N363 HydrophobicContact CG-CB 4.16Å; K360-N363 PolarHBondContact O-N 3.34Å; N363-C376 PolarHBondContact O-N 2.9Å; N363-D377 HydrophobicContact CB-CB 4.23Å; N363-D377 WeakPolarHBondContact ND2-CB 3.28Å; N363-D377 PolarHBondContact ND2-OD2 3.13Å; N363-D377 PolarHBondContact OD1-OD2 3.41Å; N363-S558 WeakPolarHBondContact OD1-CB 3.4Å; N363-S558 PolarHBondContact OD1-OG 3.35Å
364	V	97.4	Very high	94.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	107.7	175.9	177.3	0	0	0	0	109.3	C319 L320 T342 D362 T373 L375 M428	C319-V364 WeakPolarHBondContact CA-O 3.48Å; L320-V364 HydrophobicContact CB-CB 4.19Å; L320-V364 HydrophobicContact CB-CG1 4.3Å; L320-V364 WeakPolarHBondContact CB-O 3.41Å; L320-V364 HydrophobicContact CD2-CB 4.2Å; L320-V364 HydrophobicContact CD2-CG1 4.15Å; L320-V364 PolarHBondContact N-O 2.95Å; T342-V364 HydrophobicContact CG2-CG2 4.05Å; D362-V364 VanDerWaalsContact C-N 3.29Å; D362-V364 PolarHBondContact O-N 2.91Å; V364-T373 HydrophobicContact CG1-CG2 3.91Å; V364-L375 HydrophobicContact CG2-CD1 4.08Å; V364-M428 HydrophobicContact CG2-CE 4.39Å; V364-M428 HydrophobicContact CG2-SD 3.74Å
365	L	96.4	Very high	95	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	156.9	177.5	-49.9	-168.8	0	0	0	111.5	V297 K316 A318 C319 T373 F374 C376 V557	V297-L365 HydrophobicContact CG2-CD1 3.85Å; V297-L365 HydrophobicContact CG2-CG 4.28Å; K316-L365 HydrophobicContact CB-CB 3.79Å; K316-L365 HydrophobicContact CB-CD1 3.89Å; K316-L365 HydrophobicContact CB-CG 4.45Å; K316-L365 HydrophobicContact CG-CB 3.74Å; K316-L365 HydrophobicContact CG-CD1 3.83Å; K316-L365 HydrophobicContact CG-CG 4.45Å; A318-L365 WeakPolarHBondContact O-CA 3.1Å; C319-L365 HydrophobicContact CB-CD2 3.59Å; L365-T373 CarbonylContact O-C 3.6Å; L365-T373 VanDerWaalsContact O-CA 3.27Å; L365-T373 WeakPolarHBondContact O-CA 3.44Å; L365-F374 PolarHBondContact N-O 3.22Å; L365-F374 PolarHBondContact O-N 2.66Å; L365-C376 HydrophobicContact CD1-CB 4.44Å; L365-C376 HydrophobicContact CG-CB 4.45Å; L365-V557 HydrophobicContact CD1-CG2 4.47Å
366	L	96.2	Very high	95	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	148.7	-173.9	-57.6	177.4	0	0	0	111.9	P317 A318 L320 L323 Y338 D372 T373 L516	P317-L366 VanDerWaalsContact CD-O 3.3Å; P317-L366 WeakPolarHBondContact CD-O 3.19Å; A318-L366 HydrophobicContact CB-CB 4.4Å; A318-L366 HydrophobicContact CB-CD1 4.38Å; A318-L366 PolarHBondContact O-N 2.8Å; L320-L366 HydrophobicContact CB-CD2 4.4Å; L323-L366 HydrophobicContact CB-CD1 4.07Å; L323-L366 HydrophobicContact CD2-CD1 3.92Å; Y338-L366 HydrophobicContact CE1-CD2 4.07Å; Y338-L366 HydrophobicContact CE2-CD2 4.24Å; L366-D372 CarbonylContact C-O 3.58Å; L366-D372 WeakPolarHBondContact CA-O 3.43Å; L366-T373 HydrophobicContact CD2-CG2 3.93Å; L366-L516 HydrophobicContact CD1-CD1 3.91Å
367	S	94.8	Very high	94.6	Very high	16 Å²	16	20.3 Å²	20.3	11%	0.112	11%	0.107	C	C	.	.			trans	-69.5	161	166.7	59.7	0	0	0	0	112.7	D369 C370 R371 D372	S367-D369 VanDerWaalsContact CB-OD1 3.28Å; S367-D369 WeakPolarHBondContact CB-OD1 3.28Å; S367-D369 PolarHBondContact O-N 2.55Å; S367-D369 VanDerWaalsContact O-N 3.16Å; S367-D369 PolarHBondContact OG-OD1 3.21Å; S367-C370 PolarHBondContact O-N 3.11Å; S367-C370 PolarHBondContact OG-N 2.76Å; S367-R371 PolarHBondContact OG-N 2.97Å; S367-R371 VanDerWaalsContact OG-N 3.11Å; S367-D372 PolarHBondContact N-O 3.17Å; S367-D372 PolarHBondContact OG-N 3.5Å
368	A	91.4	Very high	94.4	Very high	60 Å²	60	19.1 Å²	19.1	50%	0.496	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.8	-179.2	0	0	0	0	0	114.7	P317 H517	P317-A368 HydrophobicContact CG-CB 3.92Å; A368-H517 PolarHBondContact O-NE2 3.28Å
369	D	93.1	Very high	93.9	Very high	69 Å²	69	20.5 Å²	20.5	37%	0.369	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	4.8	176.5	71.9	-20.2	0	0	0	113.3	S367 R371 I509	S367-D369 VanDerWaalsContact CB-OD1 3.28Å; S367-D369 WeakPolarHBondContact CB-OD1 3.28Å; S367-D369 PolarHBondContact O-N 2.55Å; S367-D369 VanDerWaalsContact O-N 3.16Å; S367-D369 PolarHBondContact OG-OD1 3.21Å; D369-R371 HydrophobicContact CB-CG 4.45Å; D369-R371 PolarHBondContact O-N 3.31Å; D369-R371 PolarHBondContact OD1-N 3.49Å; D369-R371 WeakPolarHBondContact OD2-CD 3.43Å; D369-R371 WeakPolarHBondContact OD2-CG 3.44Å; D369-R371 IonicContact OD2-NE 2.57Å; D369-I509 WeakPolarHBondContact O-CG2 3.17Å
370	C	94.4	Very high	93.3	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.014	12%	0.122	C	C	.	.	S	Bend	trans	58.9	22.1	-179	-55.8	0	0	0	0	115.2	Y338 S367 I509 A512 C513	Y338-C370 PolarHBondContact OH-O 2.98Å; S367-C370 PolarHBondContact O-N 3.11Å; S367-C370 PolarHBondContact OG-N 2.76Å; C370-I509 HydrophobicContact CB-CG2 4.34Å; C370-A512 HydrophobicContact CB-CB 4.12Å; C370-C513 HydrophobicContact CB-CB 4.41Å; C370-C513 VanDerWaalsContact SG-CA 3.57Å
371	R	94.8	Very high	93	Very high	136 Å²	136	22 Å²	22	51%	0.513	12%	0.123	S	C	.	.			trans	-91.3	-25	178.2	-66.5	-168	-174.1	-154.8	-2	114.7	H337 Q341 S367 D369 I509	H337-R371 PolarHBondContact NE2-O 3.24Å; Q341-R371 PolarHBondContact NE2-O 3.07Å; Q341-R371 PolarHBondContact OE1-O 3Å; S367-R371 PolarHBondContact OG-N 2.97Å; S367-R371 VanDerWaalsContact OG-N 3.11Å; D369-R371 HydrophobicContact CB-CG 4.45Å; D369-R371 PolarHBondContact O-N 3.31Å; D369-R371 PolarHBondContact OD1-N 3.49Å; D369-R371 WeakPolarHBondContact OD2-CD 3.43Å; D369-R371 WeakPolarHBondContact OD2-CG 3.44Å; D369-R371 IonicContact OD2-NE 2.57Å; R371-I509 HydrophobicContact CG-CD1 4.31Å; R371-I509 HydrophobicContact CG-CG2 3.97Å
372	D	96.4	Very high	92.6	Very high	54 Å²	54	23.5 Å²	23.5	29%	0.289	13%	0.13	S	C	.	.			trans	-129.1	125.4	-168.1	-77.5	-37.9	0	0	0	112.6	R295 Q341 L366 S367 F374	R295-D372 IonicContact CZ-OD1 3.2Å; R295-D372 VanDerWaalsContact NH1-CB 3.3Å; R295-D372 VanDerWaalsContact NH1-CG 3.3Å; R295-D372 IonicContact NH1-OD1 2.75Å; R295-D372 PolarHBondContact NH1-OD1 3.48Å; R295-D372 IonicContact NH2-OD1 2.67Å; R295-D372 PolarHBondContact NH2-OD1 3.27Å; Q341-D372 PolarHBondContact NE2-OD1 3.4Å; L366-D372 CarbonylContact C-O 3.58Å; L366-D372 WeakPolarHBondContact CA-O 3.43Å; S367-D372 PolarHBondContact N-O 3.17Å; S367-D372 PolarHBondContact OG-N 3.5Å; D372-F374 HydrophobicContact CB-CE2 3.91Å; D372-F374 HydrophobicContact CB-CZ 3.92Å; D372-F374 WeakPolarHBondContact O-CE2 3.48Å
373	T	97.9	Very high	92.2	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	148.8	170.1	77.7	0	0	0	0	112.9	R295 Y338 Q341 V364 L365 L366	R295-T373 VanDerWaalsContact CD-O 3.31Å; R295-T373 WeakPolarHBondContact CD-O 3.21Å; R295-T373 PolarHBondContact NH1-O 3.47Å; Y338-T373 HydrophobicContact CD1-CG2 3.32Å; Y338-T373 HydrophobicContact CE1-CG2 3.99Å; Y338-T373 HydrophobicContact CG-CG2 3.71Å; Q341-T373 VanDerWaalsContact CB-OG1 3.24Å; Q341-T373 WeakPolarHBondContact CB-OG1 3.24Å; V364-T373 HydrophobicContact CG1-CG2 3.91Å; L365-T373 CarbonylContact O-C 3.6Å; L365-T373 VanDerWaalsContact O-CA 3.27Å; L365-T373 WeakPolarHBondContact O-CA 3.44Å; L366-T373 HydrophobicContact CD2-CG2 3.93Å
374	F	97.9	Very high	91.7	Very high	30 Å²	30	26.8 Å²	26.8	13%	0.132	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	123.4	176.8	-51.5	-93.7	0	0	0	109	P294 V297 K316 L365 D372	P294-F374 WeakPolarHBondContact O-CE1 3.27Å; V297-F374 HydrophobicContact CG2-CB 3.61Å; K316-F374 HydrophobicContact CD-CD2 4.12Å; K316-F374 HydrophobicContact CD-CE2 4.27Å; K316-F374 HydrophobicContact CG-CD2 4.41Å; L365-F374 PolarHBondContact N-O 3.22Å; L365-F374 PolarHBondContact O-N 2.66Å; D372-F374 HydrophobicContact CB-CE2 3.91Å; D372-F374 HydrophobicContact CB-CZ 3.92Å; D372-F374 WeakPolarHBondContact O-CE2 3.48Å
375	L	97.4	Very high	90.9	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	132.1	176.4	-170.2	64.8	0	0	0	109.7	R295 V296 V297 T342 A345 L346 L349 H356 V364	R295-L375 WeakPolarHBondContact O-CB 3.3Å; R295-L375 PolarHBondContact O-N 2.91Å; V296-L375 WeakPolarHBondContact CA-O 3.43Å; V297-L375 PolarHBondContact N-O 3.28Å; T342-L375 HydrophobicContact CG2-CD1 4.29Å; A345-L375 HydrophobicContact CB-CB 3.83Å; A345-L375 HydrophobicContact CB-CD2 3.75Å; A345-L375 HydrophobicContact CB-CG 4.48Å; L346-L375 HydrophobicContact CD2-CD2 3.79Å; L346-L375 HydrophobicContact CG-CD2 4.45Å; L349-L375 HydrophobicContact CD2-CD2 4.25Å; H356-L375 WeakPolarHBondContact CD2-CD2 3.44Å; H356-L375 WeakPolarHBondContact NE2-CD1 3.07Å; H356-L375 VanDerWaalsContact NE2-CG 3.3Å; H356-L375 WeakPolarHBondContact NE2-CG 3.21Å; V364-L375 HydrophobicContact CG2-CD1 4.08Å
376	C	92.9	Very high	90	Very high	1 Å²	1	35 Å²	35	1%	0.007	19%	0.19	C	C	.	.			trans	-133.7	-177.9	173.5	68.3	0	0	0	0	110.2	V297 H356 N363 L365 S558	V297-C376 HydrophobicContact CB-CB 3.94Å; V297-C376 HydrophobicContact CG2-CB 3.7Å; H356-C376 PolarHBondContact CE1-O 3.34Å; H356-C376 PolarHBondContact NE2-O 3.43Å; H356-C376 VanDerWaalsContact NE2-O 3.07Å; N363-C376 PolarHBondContact O-N 2.9Å; L365-C376 HydrophobicContact CD1-CB 4.44Å; L365-C376 HydrophobicContact CG-CB 4.45Å; C376-S558 VanDerWaalsContact SG-CB 3.58Å; C376-S558 PolarHBondContact SG-OG 2.81Å
377	D	86.6	Confident	88.9	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.011	22%	0.223	C	C	.	.			trans	70.4	99.2	-171.1	-177.9	-10	0	0	0	112.9	H356 N363 G379 W560	H356-D377 PolarHBondContact CE1-O 3.38Å; H356-D377 PolarHBondContact NE2-O 3.31Å; H356-D377 VanDerWaalsContact NE2-O 3.1Å; N363-D377 HydrophobicContact CB-CB 4.23Å; N363-D377 WeakPolarHBondContact ND2-CB 3.28Å; N363-D377 PolarHBondContact ND2-OD2 3.13Å; N363-D377 PolarHBondContact OD1-OD2 3.41Å; D377-G379 PolarHBondContact OD1-N 3.11Å; D377-W560 HydrophobicContact CB-CE3 4.42Å; D377-W560 HydrophobicContact CB-CH2 3.66Å; D377-W560 HydrophobicContact CB-CZ2 3.8Å; D377-W560 HydrophobicContact CB-CZ3 4.01Å; D377-W560 VanDerWaalsContact CG-CH2 3.41Å; D377-W560 VanDerWaalsContact OD1-CH2 3.24Å; D377-W560 WeakPolarHBondContact OD1-CH2 3.45Å; D377-W560 WeakPolarHBondContact OD1-CZ3 3.35Å
378	F	88.3	Confident	87.8	Confident	1 Å²	1	48.2 Å²	48.2	0%	0.004	25%	0.247	C	C	.	.			trans	-112.5	12.3	174.3	-65.7	-86.8	0	0	0	112.4	E284 W288 L291 V296 L349 L380 S381	E284-F378 HydrophobicContact CG-CB 4.2Å; W288-F378 HydrophobicContact CB-CB 4.26Å; W288-F378 HydrophobicContact CB-CD2 4.09Å; W288-F378 HydrophobicContact CB-CG 4.14Å; W288-F378 AromaticContact CD1-CD2 3.76Å; W288-F378 AromaticContact CD1-CE2 3.72Å; W288-F378 AromaticContact CD2-CD2 3.42Å; W288-F378 HydrophobicContact CD2-CD2 3.42Å; W288-F378 VanDerWaalsContact CD2-CD2 3.42Å; W288-F378 HydrophobicContact CD2-CE2 4.03Å; W288-F378 HydrophobicContact CD2-CG 4.24Å; W288-F378 AromaticContact CE2-CD2 3.65Å; W288-F378 AromaticContact CE2-CE2 3.82Å; W288-F378 HydrophobicContact CE3-CB 4.35Å; W288-F378 AromaticContact CE3-CD2 3.86Å; W288-F378 HydrophobicContact CE3-CD2 3.86Å; W288-F378 AromaticContact CG-CD2 3.53Å; W288-F378 HydrophobicContact CG-CD2 3.53Å; W288-F378 AromaticContact CG-CE2 3.99Å; W288-F378 HydrophobicContact CG-CE2 3.99Å; W288-F378 HydrophobicContact CG-CG 4.08Å; W288-F378 HydrophobicContact CZ2-CD2 4.27Å; W288-F378 HydrophobicContact CZ2-CE2 4.43Å; W288-F378 HydrophobicContact CZ3-CD2 4.43Å; W288-F378 AromaticContact NE1-CD2 3.85Å; W288-F378 AromaticContact NE1-CE2 3.64Å; L291-F378 HydrophobicContact CD1-CD1 3.9Å; L291-F378 HydrophobicContact CD1-CE1 3.2Å; L291-F378 HydrophobicContact CD1-CE2 4.41Å; L291-F378 HydrophobicContact CD1-CZ 3.52Å; V296-F378 HydrophobicContact CG1-CE2 3.79Å; V296-F378 HydrophobicContact CG1-CZ 3.59Å; V296-F378 HydrophobicContact CG2-CZ 4.36Å; L349-F378 HydrophobicContact CD1-CE1 4.37Å; L349-F378 HydrophobicContact CD2-CE1 3.98Å; L349-F378 HydrophobicContact CG-CE1 4.34Å; F378-L380 VanDerWaalsContact C-N 3.28Å; F378-L380 PolarHBondContact O-N 3.43Å; F378-S381 WeakPolarHBondContact CA-OG 3.46Å; F378-S381 WeakPolarHBondContact CD1-OG 3.32Å; F378-S381 WeakPolarHBondContact O-CB 3.38Å; F378-S381 PolarHBondContact O-N 3.03Å; F378-S381 VanDerWaalsContact O-N 3.13Å
379	G	82.2	Confident	86.8	Confident	30 Å²	30	51.8 Å²	51.8	31%	0.309	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-25.7	-174.3	0	0	0	0	0	113.4	D377	D377-G379 PolarHBondContact OD1-N 3.11Å
380	L	84.6	Confident	85.7	Confident	29 Å²	29	48.6 Å²	48.6	15%	0.152	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	9.8	172.9	-62	179.4	0	0	0	113.1	L357 D358 F378 A400	L357-L380 WeakPolarHBondContact CD1-O 3.5Å; D358-L380 HydrophobicContact CB-CD1 4.03Å; F378-L380 VanDerWaalsContact C-N 3.28Å; F378-L380 PolarHBondContact O-N 3.43Å; L380-A400 HydrophobicContact CD2-CB 4.35Å
381	S	88.6	Confident	84	Confident	6 Å²	6	53.5 Å²	53.5	4%	0.042	26%	0.261	C	S	.	.			trans	-76.7	149.1	-178.5	-68.8	0	0	0	0	113.1	V355 F378	V355-S381 CarbonylContact O-C 3.58Å; V355-S381 WeakPolarHBondContact O-CA 3.27Å; V355-S381 WeakPolarHBondContact O-CB 3.46Å; V355-S381 PolarHBondContact O-OG 3.34Å; F378-S381 WeakPolarHBondContact CA-OG 3.46Å; F378-S381 WeakPolarHBondContact CD1-OG 3.32Å; F378-S381 WeakPolarHBondContact O-CB 3.38Å; F378-S381 PolarHBondContact O-N 3.03Å; F378-S381 VanDerWaalsContact O-N 3.13Å
382	E	86.5	Confident	82.5	Confident	31 Å²	31	49.5 Å²	49.5	15%	0.145	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	143.5	179.9	-59.8	-165.3	149.9	0	0	112.2	V354 V355 L357 S390 K392	V354-E382 WeakPolarHBondContact CA-O 3.44Å; V355-E382 PolarHBondContact N-O 2.87Å; V355-E382 PolarHBondContact O-N 2.78Å; L357-E382 HydrophobicContact CD1-CG 3.9Å; E382-S390 VanDerWaalsContact OE2-CB 3.3Å; E382-S390 WeakPolarHBondContact OE2-CB 3.43Å; E382-S390 PolarHBondContact OE2-OG 3.14Å; E382-K392 HydrophobicContact CG-CD 4.09Å; E382-K392 WeakPolarHBondContact OE1-CD 2.95Å; E382-K392 IonicContact OE1-NZ 3.87Å
383	M	84.7	Confident	80.4	Confident	78 Å²	78	51.1 Å²	51.1	38%	0.384	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	133.4	166.7	-67	-171.3	178.5	0	0	109.9	K286	K286-M383 HydrophobicContact CG-CE 4.19Å
384	L	83.8	Confident	78.3	Confident	14 Å²	14	56.6 Å²	56.6	7%	0.073	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-90.4	155.1	176.1	-54.7	169.9	0	0	0	111.5	K353 V355 R388 R389	K353-L384 HydrophobicContact CB-CB 4.24Å; K353-L384 WeakPolarHBondContact O-CB 3.49Å; K353-L384 WeakPolarHBondContact O-CG 3.33Å; K353-L384 PolarHBondContact O-N 3.05Å; V355-L384 HydrophobicContact CG2-CD1 3.49Å; V355-L384 VanDerWaalsContact CG2-CD1 3.49Å; V355-L384 HydrophobicContact CG2-CD2 3.65Å; V355-L384 HydrophobicContact CG2-CG 3.65Å; L384-R388 HydrophobicContact CD1-CB 4.25Å; L384-R389 CarbonylContact C-O 3.59Å; L384-R389 VanDerWaalsContact CA-O 3.27Å; L384-R389 WeakPolarHBondContact CA-O 3.34Å
385	D	80.5	Confident	76	Confident	42 Å²	42	64.1 Å²	64.1	23%	0.225	32%	0.32	C	S	.	.			trans	-68	179	167.2	62.2	23.6	0	0	0	113.3	N387 R388 R389 T391	D385-N387 PolarHBondContact O-N 2.88Å; D385-N387 WeakPolarHBondContact OD1-CA 3.27Å; D385-N387 WeakPolarHBondContact OD1-CB 3.33Å; D385-N387 PolarHBondContact OD1-N 2.85Å; D385-R388 PolarHBondContact O-N 2.84Å; D385-R388 PolarHBondContact OD1-N 3.42Å; D385-R389 VanDerWaalsContact CG-O 3.28Å; D385-R389 PolarHBondContact N-O 3.42Å; D385-R389 PolarHBondContact OD1-N 2.73Å; D385-T391 HydrophobicContact CB-CG2 3.77Å
386	D	77.1	Confident	73.3	Confident	131 Å²	131	67.2 Å²	67.2	70%	0.701	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-27.7	173.7	-69.6	-36.1	0	0	0	113	K353 R388	K353-D386 IonicContact NZ-OD1 2.66Å; K353-D386 PolarHBondContact NZ-OD1 2.84Å; D386-R388 PolarHBondContact O-N 2.96Å
387	N	72.2	Confident	70.9	Confident	129 Å²	129	72.1 Å²	72.1	69%	0.69	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	1	173.7	-64.1	91.2	0	0	0	113.5	D385	D385-N387 PolarHBondContact O-N 2.88Å; D385-N387 WeakPolarHBondContact OD1-CA 3.27Å; D385-N387 WeakPolarHBondContact OD1-CB 3.33Å; D385-N387 PolarHBondContact OD1-N 2.85Å
388	R	72.1	Confident	69.3	Low	164 Å²	164	75 Å²	75	62%	0.619	42%	0.416	S	S	*	.	S	Bend	trans	63.3	35.5	-179.2	-53.6	-176	-179.1	-177.3	1.9	114.7	L384 D385 D386	L384-R388 HydrophobicContact CD1-CB 4.25Å; D385-R388 PolarHBondContact O-N 2.84Å; D385-R388 PolarHBondContact OD1-N 3.42Å; D386-R388 PolarHBondContact O-N 2.96Å
389	R	69.9	Low	67.9	Low	135 Å²	135	79.3 Å²	79.3	51%	0.509	44%	0.435	S	S	.	.	B	Isolated β-bridge	trans	-120.4	154.9	176.3	-50.1	-167.1	-179.6	-172.5	-3.5	110.7	L384 D385 T391 Q415	L384-R389 CarbonylContact C-O 3.59Å; L384-R389 VanDerWaalsContact CA-O 3.27Å; L384-R389 WeakPolarHBondContact CA-O 3.34Å; D385-R389 VanDerWaalsContact CG-O 3.28Å; D385-R389 PolarHBondContact N-O 3.42Å; D385-R389 PolarHBondContact OD1-N 2.73Å; R389-T391 PolarHBondContact O-N 2.77Å; R389-Q415 HydrophobicContact CB-CG 4.03Å
390	S	70.9	Confident	66.7	Low	3 Å²	3	80.3 Å²	80.3	2%	0.021	44%	0.441	C	S	.	.	B	Isolated β-bridge	trans	-67.9	134.5	173.9	-174.5	0	0	0	0	110.4	E382 K392 Q415 V416	E382-S390 VanDerWaalsContact OE2-CB 3.3Å; E382-S390 WeakPolarHBondContact OE2-CB 3.43Å; E382-S390 PolarHBondContact OE2-OG 3.14Å; S390-K392 VanDerWaalsContact C-N 3.33Å; S390-K392 PolarHBondContact OG-N 3.34Å; S390-Q415 PolarHBondContact O-NE2 3.1Å; S390-V416 PolarHBondContact N-O 2.99Å
391	T	59.5	Low	66.1	Low	104 Å²	104	79.1 Å²	79.1	64%	0.638	44%	0.436	S	S	*	.			trans	-81.4	-15	174.3	52.5	0	0	0	0	112.4	D385 R389	D385-T391 HydrophobicContact CB-CG2 3.77Å; R389-T391 PolarHBondContact O-N 2.77Å
392	K	63.2	Low	65.8	Low	53 Å²	53	79.8 Å²	79.8	23%	0.23	44%	0.439	C	S	.	.	S	Bend	trans	-78.3	128.3	178.3	-71.1	163.8	172.1	-179	0	109.4	E283 E382 S390	E283-K392 VanDerWaalsContact CD-NZ 3.33Å; E283-K392 WeakPolarHBondContact OE1-CE 3.26Å; E283-K392 IonicContact OE1-NZ 3.79Å; E283-K392 PolarHBondContact OE1-NZ 2.95Å; E283-K392 VanDerWaalsContact OE2-CE 3.29Å; E283-K392 WeakPolarHBondContact OE2-CE 3Å; E283-K392 IonicContact OE2-NZ 2.84Å; E283-K392 PolarHBondContact OE2-NZ 3.28Å; E382-K392 HydrophobicContact CG-CD 4.09Å; E382-K392 WeakPolarHBondContact OE1-CD 2.95Å; E382-K392 IonicContact OE1-NZ 3.87Å; S390-K392 VanDerWaalsContact C-N 3.33Å; S390-K392 PolarHBondContact OG-N 3.34Å
393	A	51.6	Low	66	Low	88 Å²	88	80 Å²	80	73%	0.727	44%	0.441	S	S	*	.			trans	-62.9	147.4	166.9	0	0	0	0	0	109.9	R395	A393-R395 PolarHBondContact O-N 3.3Å
394	F	53	Low	66.5	Low	116 Å²	116	76.3 Å²	76.3	51%	0.509	42%	0.422	S	S	.	.			trans	-53.7	113.4	178.1	176.8	-109.1	0	0	0	110.8	G396 F399 G413	F394-G396 VanDerWaalsContact C-N 3.26Å; F394-G396 PolarHBondContact O-N 2.75Å; F394-F399 HydrophobicContact CE2-CD1 4.47Å; F394-F399 HydrophobicContact CZ-CD1 4.48Å; F394-F399 HydrophobicContact CZ-CE1 4.22Å; F394-G413 VanDerWaalsContact CD2-CA 3.48Å
395	R	50.4	Low	67.1	Low	188 Å²	188	75.8 Å²	75.8	71%	0.709	42%	0.42	S	S	*	.			trans	-73.3	80.2	177.2	-66.1	-168.2	-175.5	-151.3	5.6	109.4	A393 A397	A393-R395 PolarHBondContact O-N 3.3Å; R395-A397 PolarHBondContact O-N 2.85Å
396	G	41.5	Very low	67.7	Low	66 Å²	66	74.2 Å²	74.2	68%	0.68	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	51.2	-166.7	0	0	0	0	0	117.1	F394	F394-G396 VanDerWaalsContact C-N 3.26Å; F394-G396 PolarHBondContact O-N 2.75Å
397	A	42.5	Very low	68.6	Low	104 Å²	104	68 Å²	68	86%	0.86	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.1	-30.5	174.5	0	0	0	0	0	113.2	R395	R395-A397 PolarHBondContact O-N 2.85Å
398	A	52.1	Low	69.7	Low	62 Å²	62	61.9 Å²	61.9	51%	0.512	35%	0.345	S	S	.	.	S	Bend	trans	-150.7	142.9	175.4	0	0	0	0	0	111.3	A400	A398-A400 PolarHBondContact O-N 3.4Å
399	F	58.3	Low	70.6	Confident	92 Å²	92	54.2 Å²	54.2	40%	0.404	32%	0.316	S	S	.	.			trans	-74.6	119.2	170.4	-61.7	-82.2	0	0	0	109.6	F394 M406 A411 C448	F394-F399 HydrophobicContact CE2-CD1 4.47Å; F394-F399 HydrophobicContact CZ-CD1 4.48Å; F394-F399 HydrophobicContact CZ-CE1 4.22Å; F399-M406 HydrophobicContact CB-CE 3.48Å; F399-M406 VanDerWaalsContact CB-CE 3.48Å; F399-M406 HydrophobicContact CB-SD 3.9Å; F399-M406 HydrophobicContact CD1-SD 4.28Å; F399-M406 HydrophobicContact CG-CE 4.45Å; F399-M406 HydrophobicContact CG-SD 4.28Å; F399-A411 WeakPolarHBondContact CE1-O 3.34Å; F399-C448 VanDerWaalsContact CD2-SG 3.59Å; F399-C448 HydrophobicContact CE2-CB 4.22Å; F399-C448 HydrophobicContact CZ-CB 4.37Å
400	A	58.9	Low	71.6	Confident	51 Å²	51	48.9 Å²	48.9	42%	0.421	30%	0.298	S	S	.	.			trans	-76.6	143.6	179.7	0	0	0	0	0	112.2	L380 A398 M406	L380-A400 HydrophobicContact CD2-CB 4.35Å; A398-A400 PolarHBondContact O-N 3.4Å; A400-M406 WeakPolarHBondContact O-CE 3.48Å
401	G	70.7	Confident	72.5	Confident	5 Å²	5	49 Å²	49	5%	0.052	30%	0.3	C	S	.	.	S	Bend	trans	87.6	167.6	178.7	0	0	0	0	0	114.1	E403 T562	G401-E403 PolarHBondContact O-N 3.16Å; G401-T562 VanDerWaalsContact C-CG2 3.48Å; G401-T562 WeakPolarHBondContact O-CG2 3.45Å
402	T	83.5	Confident	73.9	Confident	19 Å²	19	49.7 Å²	49.7	12%	0.117	29%	0.291	C	S	.	.			trans	-72.4	114.3	-171.4	-56.9	0	0	0	0	110.9	D358 K360 T404 H405 M406	D358-T402 VanDerWaalsContact OD1-CB 3.28Å; D358-T402 WeakPolarHBondContact OD1-CB 3.06Å; D358-T402 PolarHBondContact OD1-N 3.03Å; D358-T402 PolarHBondContact OD1-OG1 3.18Å; K360-T402 HydrophobicContact CD-CG2 4.34Å; K360-T402 WeakPolarHBondContact CD-OG1 3.39Å; K360-T402 PolarHBondContact NZ-OG1 3.49Å; T402-T404 VanDerWaalsContact C-N 3.32Å; T402-T404 PolarHBondContact O-N 2.79Å; T402-T404 VanDerWaalsContact O-N 3.11Å; T402-H405 WeakPolarHBondContact O-CA 3.25Å; T402-H405 PolarHBondContact O-N 3.23Å; T402-M406 PolarHBondContact O-N 3.48Å
403	E	90.6	Very high	74.9	Confident	37 Å²	37	48.1 Å²	48.1	17%	0.173	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-52.2	-42.2	-166.7	-159.5	-172.4	-154.5	0	0	114.3	G401 H405 M406 H445 L447 C448 I451	G401-E403 PolarHBondContact O-N 3.16Å; E403-H405 PolarHBondContact O-N 2.7Å; E403-H405 VanDerWaalsContact O-N 3.17Å; E403-M406 WeakPolarHBondContact O-CB 3.4Å; E403-M406 PolarHBondContact O-N 3.03Å; E403-H445 IonicContact OE2-CE1 2.7Å; E403-H445 IonicContact OE2-CG 3.86Å; E403-H445 IonicContact OE2-ND1 3.11Å; E403-H445 PolarHBondContact OE2-ND1 3.4Å; E403-L447 HydrophobicContact CG-CB 4.07Å; E403-L447 PolarHBondContact OE1-N 3.39Å; E403-L447 PolarHBondContact OE2-N 3.25Å; E403-C448 PolarHBondContact OE1-N 3.15Å; E403-C448 PolarHBondContact OE1-SG 2.83Å; E403-I451 HydrophobicContact CG-CD1 4.43Å; E403-I451 WeakPolarHBondContact O-CD1 3.07Å
404	T	94.3	Very high	76.6	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-62.1	-23.7	177.9	55	0	0	0	0	114.1	T402 C427 Q437 W439 T440 L447	T402-T404 VanDerWaalsContact C-N 3.32Å; T402-T404 PolarHBondContact O-N 2.79Å; T402-T404 VanDerWaalsContact O-N 3.11Å; T404-C427 PolarHBondContact O-SG 3.16Å; T404-Q437 HydrophobicContact CG2-CB 3.93Å; T404-Q437 PolarHBondContact OG1-OE1 2.95Å; T404-W439 PolarHBondContact O-NE1 3.26Å; T404-T440 HydrophobicContact CG2-CG2 3.68Å; T404-L447 HydrophobicContact CG2-CD1 3.58Å
405	H	95.9	Very high	78	Confident	3 Å²	3	46.1 Å²	46.1	1%	0.014	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-100.8	-1.6	179.2	-66.2	60.2	0	0	0	112.5	V359 T402 E403 S424 C427	V359-H405 PolarHBondContact O-CD2 2.96Å; T402-H405 WeakPolarHBondContact O-CA 3.25Å; T402-H405 PolarHBondContact O-N 3.23Å; E403-H405 PolarHBondContact O-N 2.7Å; E403-H405 VanDerWaalsContact O-N 3.17Å; H405-S424 WeakPolarHBondContact O-CA 3.39Å; H405-S424 WeakPolarHBondContact O-CB 3.39Å; H405-S424 PolarHBondContact O-OG 3.4Å; H405-C427 HydrophobicContact CB-CB 4.12Å
406	M	93.9	Very high	79.7	Confident	9 Å²	9	38.3 Å²	38.3	4%	0.044	24%	0.243	C	C	.	.			trans	-68.5	137.5	-176.1	-163.9	173	-73.2	0	0	111.9	F399 A400 T402 E403 V410 A411 W423 I451	F399-M406 HydrophobicContact CB-CE 3.48Å; F399-M406 VanDerWaalsContact CB-CE 3.48Å; F399-M406 HydrophobicContact CB-SD 3.9Å; F399-M406 HydrophobicContact CD1-SD 4.28Å; F399-M406 HydrophobicContact CG-CE 4.45Å; F399-M406 HydrophobicContact CG-SD 4.28Å; A400-M406 WeakPolarHBondContact O-CE 3.48Å; T402-M406 PolarHBondContact O-N 3.48Å; E403-M406 WeakPolarHBondContact O-CB 3.4Å; E403-M406 PolarHBondContact O-N 3.03Å; M406-V410 HydrophobicContact CG-CB 3.83Å; M406-V410 HydrophobicContact CG-CG1 3.75Å; M406-V410 HydrophobicContact SD-CG1 4.18Å; M406-A411 HydrophobicContact CG-CB 4.17Å; M406-A411 HydrophobicContact SD-CB 3.92Å; M406-W423 PolarHBondContact O-NE1 2.94Å; M406-I451 HydrophobicContact CB-CD1 4.35Å
407	A	95.5	Very high	81.9	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.008	22%	0.217	C	C	.	.			trans	-82.1	150.4	177.6	0	0	0	0	0	111.6	E409 V410 A411 A420 W423	A407-E409 HydrophobicContact CB-CG 4.5Å; A407-E409 WeakPolarHBondContact CB-OE1 3.17Å; A407-E409 WeakPolarHBondContact CB-OE2 3.14Å; A407-E409 PolarHBondContact O-N 3.34Å; A407-V410 HydrophobicContact CB-CG2 4.24Å; A407-V410 WeakPolarHBondContact O-CB 3.39Å; A407-V410 PolarHBondContact O-N 3.28Å; A407-A411 PolarHBondContact O-N 3.44Å; A407-A420 HydrophobicContact CB-CB 4.12Å; A407-W423 VanDerWaalsContact CA-CD1 3.49Å; A407-W423 HydrophobicContact CB-CB 3.96Å; A407-W423 HydrophobicContact CB-CG 3.89Å
408	P	94.8	Very high	84.4	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-28.1	-174.8	-25.9	37.1	0	0	0	114.6	R412 W423 I451 K479	P408-R412 WeakPolarHBondContact O-CG 3.36Å; P408-R412 PolarHBondContact O-N 3.21Å; P408-W423 HydrophobicContact CG-CE3 4.36Å; P408-W423 HydrophobicContact CG-CH2 3.58Å; P408-W423 HydrophobicContact CG-CZ2 3.71Å; P408-W423 HydrophobicContact CG-CZ3 3.93Å; P408-I451 HydrophobicContact CB-CG2 4.47Å; P408-I451 HydrophobicContact CG-CG2 4.15Å; P408-K479 HydrophobicContact CB-CB 4.47Å; P408-K479 HydrophobicContact CG-CB 4.15Å; P408-K479 HydrophobicContact CG-CG 4.24Å
409	E	92.6	Very high	86.6	Confident	3 Å²	3	31 Å²	31	1%	0.014	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-40.4	172.2	66.7	-84.1	-160.1	0	0	112	A407 R412 G413 D414 R484	A407-E409 HydrophobicContact CB-CG 4.5Å; A407-E409 WeakPolarHBondContact CB-OE1 3.17Å; A407-E409 WeakPolarHBondContact CB-OE2 3.14Å; A407-E409 PolarHBondContact O-N 3.34Å; E409-R412 PolarHBondContact O-N 2.85Å; E409-G413 PolarHBondContact O-N 3.36Å; E409-D414 WeakPolarHBondContact CA-OD2 3.45Å; E409-D414 HydrophobicContact CB-CB 3.99Å; E409-D414 WeakPolarHBondContact O-CB 3.48Å; E409-D414 PolarHBondContact O-N 3.04Å; E409-R484 IonicContact OE1-CZ 3.57Å; E409-R484 IonicContact OE1-NH1 3.54Å; E409-R484 PolarHBondContact OE1-NH1 2.66Å; E409-R484 IonicContact OE1-NH2 2.73Å; E409-R484 PolarHBondContact OE1-NH2 3.12Å; E409-R484 IonicContact OE2-CZ 2.78Å; E409-R484 IonicContact OE2-NH1 2.83Å; E409-R484 PolarHBondContact OE2-NH1 3.11Å; E409-R484 IonicContact OE2-NH2 3.67Å; E409-R484 PolarHBondContact OE2-NH2 3.37Å
410	V	90.3	Very high	88.4	Confident	22 Å²	22	26.8 Å²	26.8	13%	0.133	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-67.9	-42.5	176.1	-177.3	0	0	0	0	110.5	M406 A407 R412 G413 V416 A420	M406-V410 HydrophobicContact CG-CB 3.83Å; M406-V410 HydrophobicContact CG-CG1 3.75Å; M406-V410 HydrophobicContact SD-CG1 4.18Å; A407-V410 HydrophobicContact CB-CG2 4.24Å; A407-V410 WeakPolarHBondContact O-CB 3.39Å; A407-V410 PolarHBondContact O-N 3.28Å; V410-R412 PolarHBondContact O-N 3.25Å; V410-G413 PolarHBondContact O-N 3.33Å; V410-V416 HydrophobicContact CG2-CG2 4.45Å; V410-A420 HydrophobicContact CG2-CB 4Å
411	A	90	Very high	90.2	Very high	7 Å²	7	24.3 Å²	24.3	6%	0.058	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-69.5	-12.8	177.4	0	0	0	0	0	114.2	F399 M406 A407 C448 I451 V452	F399-A411 WeakPolarHBondContact CE1-O 3.34Å; M406-A411 HydrophobicContact CG-CB 4.17Å; M406-A411 HydrophobicContact SD-CB 3.92Å; A407-A411 PolarHBondContact O-N 3.44Å; A411-C448 HydrophobicContact CB-CB 4.34Å; A411-I451 HydrophobicContact CB-CB 4.41Å; A411-I451 HydrophobicContact CB-CG2 4.03Å; A411-V452 HydrophobicContact CB-CG2 3.68Å
412	R	88.6	Confident	91.6	Very high	117 Å²	117	24.1 Å²	24.1	44%	0.442	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-91.1	-17.8	166.9	-78.3	-167.3	-62	-101.4	-4.5	113.8	P408 E409 V410 D414 V452	P408-R412 WeakPolarHBondContact O-CG 3.36Å; P408-R412 PolarHBondContact O-N 3.21Å; E409-R412 PolarHBondContact O-N 2.85Å; V410-R412 PolarHBondContact O-N 3.25Å; R412-D414 WeakPolarHBondContact CB-OD1 3.39Å; R412-D414 IonicContact CZ-OD2 2.97Å; R412-D414 IonicContact NE-OD1 3.5Å; R412-D414 PolarHBondContact NE-OD1 3.34Å; R412-D414 IonicContact NE-OD2 3.32Å; R412-D414 PolarHBondContact NE-OD2 3.27Å; R412-D414 IonicContact NH2-OD2 2.74Å; R412-D414 PolarHBondContact NH2-OD2 2.73Å; R412-V452 HydrophobicContact CG-CB 4.33Å; R412-V452 HydrophobicContact CG-CG1 3.65Å; R412-V452 HydrophobicContact CG-CG2 3.64Å
413	G	84.8	Confident	92.3	Very high	21 Å²	21	23.2 Å²	23.2	22%	0.216	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	23.4	-165	0	0	0	0	0	113.8	F394 E409 V410	F394-G413 VanDerWaalsContact CD2-CA 3.48Å; E409-G413 PolarHBondContact O-N 3.36Å; V410-G413 PolarHBondContact O-N 3.33Å
414	D	86.2	Confident	92.6	Very high	63 Å²	63	21.6 Å²	21.6	34%	0.337	11%	0.112	S	C	.	.	P	Polyproline II helix	trans	-66.6	167.4	171	-58.5	-23	0	0	0	110.8	E409 R412 V416	E409-D414 WeakPolarHBondContact CA-OD2 3.45Å; E409-D414 HydrophobicContact CB-CB 3.99Å; E409-D414 WeakPolarHBondContact O-CB 3.48Å; E409-D414 PolarHBondContact O-N 3.04Å; R412-D414 WeakPolarHBondContact CB-OD1 3.39Å; R412-D414 IonicContact CZ-OD2 2.97Å; R412-D414 IonicContact NE-OD1 3.5Å; R412-D414 PolarHBondContact NE-OD1 3.34Å; R412-D414 IonicContact NE-OD2 3.32Å; R412-D414 PolarHBondContact NE-OD2 3.27Å; R412-D414 IonicContact NH2-OD2 2.74Å; R412-D414 PolarHBondContact NH2-OD2 2.73Å; D414-V416 PolarHBondContact O-N 3.04Å; D414-V416 VanDerWaalsContact O-N 3.16Å
415	Q	82.1	Confident	92.9	Very high	99 Å²	99	21.6 Å²	21.6	46%	0.463	11%	0.112	S	C	.	.	P	Polyproline II helix	trans	-64.9	117.5	177.5	-160.4	176.6	14.8	0	0	111.7	R389 S390	R389-Q415 HydrophobicContact CB-CG 4.03Å; S390-Q415 PolarHBondContact O-NE2 3.1Å
416	V	85.8	Confident	93	Very high	24 Å²	24	21.4 Å²	21.4	15%	0.145	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-66	142.6	-173.9	177.4	0	0	0	0	112.1	L357 S390 V410 D414	L357-V416 HydrophobicContact CD1-CG1 4.05Å; L357-V416 HydrophobicContact CD2-CG1 3.4Å; L357-V416 HydrophobicContact CG-CG1 4.37Å; S390-V416 PolarHBondContact N-O 2.99Å; V410-V416 HydrophobicContact CG2-CG2 4.45Å; D414-V416 PolarHBondContact O-N 3.04Å; D414-V416 VanDerWaalsContact O-N 3.16Å
417	C	89.6	Confident	93.2	Very high	22 Å²	22	21 Å²	21	15%	0.149	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-147	168.7	176.4	73.8	0	0	0	0	112.3	K419 A420	C417-K419 PolarHBondContact O-N 2.73Å; C417-A420 WeakPolarHBondContact O-CB 3.29Å; C417-A420 PolarHBondContact O-N 3.33Å
418	S	94.8	Very high	93.4	Very high	20 Å²	20	21 Å²	21	14%	0.14	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-15.1	-178.6	53.5	0	0	0	0	115.9	H350 A420	H350-S418 PolarHBondContact CE1-O 3.4Å; H350-S418 PolarHBondContact NE2-O 2.84Å; S418-A420 PolarHBondContact O-N 3.15Å
419	K	96.7	Very high	93.6	Very high	37 Å²	37	21 Å²	21	16%	0.161	11%	0.11	C	C	.	.	H	α-helix	trans	-69.4	-21.5	174.6	-57.9	-70.4	-168.5	79	0	112.1	C417 V422 W423 P481 D482 R484	C417-K419 PolarHBondContact O-N 2.73Å; K419-V422 WeakPolarHBondContact O-CB 3.32Å; K419-V422 PolarHBondContact O-N 3.4Å; K419-W423 PolarHBondContact O-N 2.67Å; K419-P481 HydrophobicContact CB-CB 3.89Å; K419-P481 WeakPolarHBondContact CD-O 3.24Å; K419-P481 HydrophobicContact CG-CB 4.25Å; K419-P481 VanDerWaalsContact CG-O 3.26Å; K419-P481 WeakPolarHBondContact CG-O 3.32Å; K419-P481 PolarHBondContact NZ-O 3.05Å; K419-D482 PolarHBondContact NZ-O 3.3Å; K419-R484 VanDerWaalsContact C-NH1 3.26Å; K419-R484 HydrophobicContact CD-CB 4.39Å; K419-R484 WeakPolarHBondContact CE-O 3.42Å; K419-R484 PolarHBondContact NZ-O 3.05Å; K419-R484 WeakPolarHBondContact O-CD 3.05Å; K419-R484 PolarHBondContact O-NH1 2.8Å
420	A	96.3	Very high	93.8	Very high	2 Å²	2	20.9 Å²	20.9	2%	0.017	11%	0.109	C	C	.	.	H	α-helix	trans	-58.5	-54.5	177.6	0	0	0	0	0	111.4	L357 A407 V410 C417 S418 V422 W423 S424	L357-A420 HydrophobicContact CD2-CB 4.2Å; A407-A420 HydrophobicContact CB-CB 4.12Å; V410-A420 HydrophobicContact CG2-CB 4Å; C417-A420 WeakPolarHBondContact O-CB 3.29Å; C417-A420 PolarHBondContact O-N 3.33Å; S418-A420 PolarHBondContact O-N 3.15Å; A420-V422 PolarHBondContact O-N 2.92Å; A420-W423 WeakPolarHBondContact O-CB 3.23Å; A420-W423 PolarHBondContact O-N 3.2Å; A420-S424 PolarHBondContact O-N 3.27Å; A420-S424 PolarHBondContact O-OG 3.31Å
421	D	97.9	Very high	94.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-53.3	-32.9	176.8	-63.7	-16.8	0	0	0	113.2	L346 H350 V355 H356 L357 V359 S424 S425	L346-D421 HydrophobicContact CD1-CB 3.94Å; L346-D421 HydrophobicContact CD2-CB 3.92Å; L346-D421 HydrophobicContact CG-CB 4.48Å; H350-D421 IonicContact CD2-OD2 2.83Å; H350-D421 IonicContact CE1-OD2 3.3Å; H350-D421 IonicContact NE2-OD2 3.89Å; H350-D421 PolarHBondContact NE2-OD2 3.23Å; V355-D421 VanDerWaalsContact CG1-OD1 3.32Å; V355-D421 WeakPolarHBondContact CG1-OD1 3.49Å; V355-D421 VanDerWaalsContact CG1-OD2 3.31Å; V355-D421 WeakPolarHBondContact CG1-OD2 3.37Å; H356-D421 PolarHBondContact N-OD1 2.66Å; H356-D421 VanDerWaalsContact N-OD1 3.14Å; H356-D421 PolarHBondContact N-OD2 2.92Å; L357-D421 PolarHBondContact N-OD1 3.43Å; V359-D421 HydrophobicContact CG2-CB 3.93Å; D421-S424 PolarHBondContact O-N 3.01Å; D421-S425 WeakPolarHBondContact O-CB 3.28Å; D421-S425 PolarHBondContact O-N 3.01Å
422	V	98.6	Very high	94.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-68.7	-40.5	179.3	-173.2	0	0	0	0	110.9	K419 A420 S425 C426 A485 A487 L490	K419-V422 WeakPolarHBondContact O-CB 3.32Å; K419-V422 PolarHBondContact O-N 3.4Å; A420-V422 PolarHBondContact O-N 2.92Å; V422-S425 PolarHBondContact O-OG 2.8Å; V422-C426 PolarHBondContact O-N 3.17Å; V422-A485 WeakPolarHBondContact CG1-O 3.41Å; V422-A487 HydrophobicContact CG2-CB 4.27Å; V422-L490 HydrophobicContact CG1-CB 4.19Å; V422-L490 HydrophobicContact CG1-CD2 3.55Å; V422-L490 HydrophobicContact CG1-CG 4.42Å
423	W	98.6	Very high	95	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64.9	-48.5	172.8	172.6	-79.2	0	0	0	110.8	M406 A407 P408 K419 A420 S425 C426 C427 W439 P456 L477 K479	M406-W423 PolarHBondContact O-NE1 2.94Å; A407-W423 VanDerWaalsContact CA-CD1 3.49Å; A407-W423 HydrophobicContact CB-CB 3.96Å; A407-W423 HydrophobicContact CB-CG 3.89Å; P408-W423 HydrophobicContact CG-CE3 4.36Å; P408-W423 HydrophobicContact CG-CH2 3.58Å; P408-W423 HydrophobicContact CG-CZ2 3.71Å; P408-W423 HydrophobicContact CG-CZ3 3.93Å; K419-W423 PolarHBondContact O-N 2.67Å; A420-W423 WeakPolarHBondContact O-CB 3.23Å; A420-W423 PolarHBondContact O-N 3.2Å; W423-S425 VanDerWaalsContact C-N 3.28Å; W423-S425 PolarHBondContact O-N 3.43Å; W423-C426 CarbonylContact O-C 3.53Å; W423-C426 WeakPolarHBondContact O-CA 3.43Å; W423-C426 WeakPolarHBondContact O-CB 3.12Å; W423-C426 PolarHBondContact O-N 3.26Å; W423-C427 PolarHBondContact O-N 3.25Å; W423-W439 HydrophobicContact CZ2-CZ2 4.15Å; W423-P456 HydrophobicContact CH2-CB 3.91Å; W423-P456 HydrophobicContact CZ3-CB 4.09Å; W423-L477 HydrophobicContact CD2-CD2 3.74Å; W423-L477 HydrophobicContact CE3-CB 4.3Å; W423-L477 HydrophobicContact CE3-CD2 3.83Å; W423-L477 HydrophobicContact CG-CD2 4.21Å; W423-L477 HydrophobicContact CH2-CD2 4.48Å; W423-L477 HydrophobicContact CZ2-CD2 4.43Å; W423-L477 HydrophobicContact CZ3-CB 4.15Å; W423-L477 HydrophobicContact CZ3-CD2 4.2Å; W423-K479 HydrophobicContact CH2-CG 4.19Å; W423-K479 HydrophobicContact CZ3-CG 4.18Å
424	S	98.5	Very high	95.5	Very high	3 Å²	3	16.1 Å²	16.1	2%	0.021	9%	0.085	C	C	.	.	H	α-helix	trans	-58.1	-38.5	177.4	-51.7	0	0	0	0	112.2	V359 H405 A420 D421 C426 C427 M428	V359-S424 WeakPolarHBondContact O-CB 3.15Å; H405-S424 WeakPolarHBondContact O-CA 3.39Å; H405-S424 WeakPolarHBondContact O-CB 3.39Å; H405-S424 PolarHBondContact O-OG 3.4Å; A420-S424 PolarHBondContact O-N 3.27Å; A420-S424 PolarHBondContact O-OG 3.31Å; D421-S424 PolarHBondContact O-N 3.01Å; S424-C426 VanDerWaalsContact C-N 3.3Å; S424-C426 PolarHBondContact O-N 3.3Å; S424-C427 WeakPolarHBondContact O-CB 3.45Å; S424-C427 PolarHBondContact O-N 2.98Å; S424-M428 PolarHBondContact O-N 3.06Å
425	S	98.8	Very high	95.9	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.1	-30.2	173.2	81.2	0	0	0	0	113.6	L339 D421 V422 W423 L429	L339-S425 WeakPolarHBondContact CD1-O 3.49Å; D421-S425 WeakPolarHBondContact O-CB 3.28Å; D421-S425 PolarHBondContact O-N 3.01Å; V422-S425 PolarHBondContact O-OG 2.8Å; W423-S425 VanDerWaalsContact C-N 3.28Å; W423-S425 PolarHBondContact O-N 3.43Å; S425-L429 PolarHBondContact O-N 3.08Å
426	C	98.8	Very high	96.5	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-77.9	-34.8	171.4	-83.7	0	0	0	0	112.6	V422 W423 S424 M428 L429 L430 F473 L477	V422-C426 PolarHBondContact O-N 3.17Å; W423-C426 CarbonylContact O-C 3.53Å; W423-C426 WeakPolarHBondContact O-CA 3.43Å; W423-C426 WeakPolarHBondContact O-CB 3.12Å; W423-C426 PolarHBondContact O-N 3.26Å; S424-C426 VanDerWaalsContact C-N 3.3Å; S424-C426 PolarHBondContact O-N 3.3Å; C426-M428 VanDerWaalsContact C-N 3.26Å; C426-M428 PolarHBondContact O-N 3.4Å; C426-L429 PolarHBondContact O-N 2.84Å; C426-L430 PolarHBondContact O-N 3.21Å; C426-F473 HydrophobicContact CB-CD1 4.29Å; C426-L477 HydrophobicContact CB-CD1 4.27Å; C426-L477 HydrophobicContact CB-CD2 3.55Å; C426-L477 HydrophobicContact CB-CG 3.66Å
427	C	98.6	Very high	96.9	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61	-38.3	168.1	-70	0	0	0	0	111.4	T404 H405 W423 S424 L430 H431 P438	T404-C427 PolarHBondContact O-SG 3.16Å; H405-C427 HydrophobicContact CB-CB 4.12Å; W423-C427 PolarHBondContact O-N 3.25Å; S424-C427 WeakPolarHBondContact O-CB 3.45Å; S424-C427 PolarHBondContact O-N 2.98Å; C427-L430 PolarHBondContact O-N 3Å; C427-H431 WeakPolarHBondContact O-CB 3.43Å; C427-H431 PolarHBondContact O-N 3.12Å; C427-P438 HydrophobicContact CB-CG 3.79Å
428	M	98.5	Very high	97.1	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65.7	-37.3	172.4	-171.4	-174.5	74.5	0	0	112.4	L320 T342 A361 V364 S424 C426 H431 M432	L320-M428 HydrophobicContact CD2-CE 4.48Å; L320-M428 HydrophobicContact CD2-CG 4.49Å; L320-M428 HydrophobicContact CD2-SD 4.07Å; T342-M428 HydrophobicContact CG2-CE 4.04Å; A361-M428 HydrophobicContact CB-CG 4.29Å; V364-M428 HydrophobicContact CG2-CE 4.39Å; V364-M428 HydrophobicContact CG2-SD 3.74Å; S424-M428 PolarHBondContact O-N 3.06Å; C426-M428 VanDerWaalsContact C-N 3.26Å; C426-M428 PolarHBondContact O-N 3.4Å; M428-H431 WeakPolarHBondContact O-CB 3.43Å; M428-H431 PolarHBondContact O-N 2.9Å; M428-M432 HydrophobicContact CE-CE 4.09Å; M428-M432 WeakPolarHBondContact O-CG 3.27Å; M428-M432 PolarHBondContact O-N 3.32Å
429	L	98.8	Very high	97.2	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-66.8	-40.3	172.7	-177	66.4	0	0	0	112	A335 L339 S425 C426 H431 M432 L433 T469 V472 F473	A335-L429 HydrophobicContact CB-CD1 3.79Å; L339-L429 HydrophobicContact CB-CD1 4.48Å; L339-L429 HydrophobicContact CD2-CB 4.14Å; L339-L429 HydrophobicContact CD2-CD1 4.35Å; L339-L429 HydrophobicContact CD2-CD2 3.67Å; L339-L429 HydrophobicContact CD2-CG 4.24Å; S425-L429 PolarHBondContact O-N 3.08Å; C426-L429 PolarHBondContact O-N 2.84Å; L429-H431 VanDerWaalsContact C-N 3.3Å; L429-H431 PolarHBondContact O-N 3.02Å; L429-M432 HydrophobicContact CB-CE 4.37Å; L429-M432 HydrophobicContact CD1-CE 3.87Å; L429-M432 PolarHBondContact O-N 3.26Å; L429-L433 HydrophobicContact CD1-CD1 4.13Å; L429-L433 HydrophobicContact CD1-CG 4.21Å; L429-L433 HydrophobicContact CG-CD1 4.03Å; L429-L433 HydrophobicContact CG-CG 4.47Å; L429-L433 WeakPolarHBondContact O-CG 3.39Å; L429-L433 PolarHBondContact O-N 3.44Å; L429-T469 HydrophobicContact CD2-CG2 4.34Å; L429-V472 HydrophobicContact CD2-CG1 4.4Å; L429-F473 HydrophobicContact CB-CE1 3.89Å; L429-F473 HydrophobicContact CB-CZ 4.03Å; L429-F473 HydrophobicContact CD2-CD1 4.38Å; L429-F473 HydrophobicContact CD2-CD2 4.46Å; L429-F473 HydrophobicContact CD2-CE1 3.66Å; L429-F473 HydrophobicContact CD2-CE2 3.78Å; L429-F473 HydrophobicContact CD2-CZ 3.36Å; L429-F473 HydrophobicContact CG-CE1 3.84Å; L429-F473 HydrophobicContact CG-CE2 4.29Å; L429-F473 HydrophobicContact CG-CZ 3.48Å; L429-F473 VanDerWaalsContact CG-CZ 3.48Å
430	L	98.4	Very high	97	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-58.6	-44.8	170.6	-75	177.7	0	0	0	110.6	C426 C427 M432 L433 N434 P438 P457 E460 V461 F473 L477	C426-L430 PolarHBondContact O-N 3.21Å; C427-L430 PolarHBondContact O-N 3Å; L430-M432 PolarHBondContact O-N 2.95Å; L430-L433 PolarHBondContact O-N 3.28Å; L430-N434 VanDerWaalsContact O-CB 3.23Å; L430-N434 WeakPolarHBondContact O-CB 3.39Å; L430-N434 PolarHBondContact O-N 3.25Å; L430-N434 PolarHBondContact O-ND2 3Å; L430-N434 VanDerWaalsContact O-ND2 3.15Å; L430-P438 HydrophobicContact CB-CB 4.37Å; L430-P438 HydrophobicContact CD1-CB 3.89Å; L430-P438 HydrophobicContact CD1-CG 4.45Å; L430-P457 HydrophobicContact CD1-CB 4.18Å; L430-P457 HydrophobicContact CD1-CG 3.86Å; L430-E460 HydrophobicContact CD1-CB 4.28Å; L430-E460 HydrophobicContact CD2-CB 4.08Å; L430-V461 HydrophobicContact CD2-CG2 3.93Å; L430-F473 HydrophobicContact CD2-CD1 4.33Å; L430-F473 HydrophobicContact CD2-CE1 3.67Å; L430-F473 HydrophobicContact CD2-CE2 4.47Å; L430-F473 HydrophobicContact CD2-CZ 3.71Å; L430-F473 HydrophobicContact CG-CD1 4.33Å; L430-F473 HydrophobicContact CG-CE1 3.63Å; L430-F473 HydrophobicContact CG-CZ 4.1Å; L430-L477 HydrophobicContact CD1-CD1 4.09Å
431	H	97.6	Very high	96.8	Very high	20 Å²	20	17.5 Å²	17.5	9%	0.093	9%	0.094	C	C	.	.	H	α-helix	trans	-60.2	-44.4	177.1	-173.4	-167.8	0	0	0	112	C427 M428 L429 L433 G435 C436 Q437	C427-H431 WeakPolarHBondContact O-CB 3.43Å; C427-H431 PolarHBondContact O-N 3.12Å; M428-H431 WeakPolarHBondContact O-CB 3.43Å; M428-H431 PolarHBondContact O-N 2.9Å; L429-H431 VanDerWaalsContact C-N 3.3Å; L429-H431 PolarHBondContact O-N 3.02Å; H431-L433 PolarHBondContact O-N 3.03Å; H431-G435 WeakPolarHBondContact O-CA 3.36Å; H431-G435 PolarHBondContact O-N 2.9Å; H431-C436 WeakPolarHBondContact CA-O 3.23Å; H431-Q437 PolarHBondContact CD2-N 3.28Å
432	M	98.3	Very high	96.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.6	-44.1	176.8	-75.6	-172	-72.6	0	0	113.1	L320 L324 L330 A335 Y338 L339 M428 L429 L430	L320-M432 HydrophobicContact CD1-CG 4.24Å; L320-M432 HydrophobicContact CD1-SD 4.01Å; L320-M432 HydrophobicContact CD2-CG 4.13Å; L320-M432 HydrophobicContact CD2-SD 3.67Å; L320-M432 HydrophobicContact CG-CG 4.48Å; L320-M432 HydrophobicContact CG-SD 4.38Å; L324-M432 HydrophobicContact CD1-CG 4.4Å; L324-M432 HydrophobicContact CD2-CB 4.49Å; L324-M432 HydrophobicContact CD2-CG 4.41Å; L330-M432 HydrophobicContact CD1-CB 4.35Å; L330-M432 HydrophobicContact CD1-CG 4.09Å; L330-M432 HydrophobicContact CD1-SD 4Å; L330-M432 PolarHBondContact N-O 3.02Å; A335-M432 HydrophobicContact CB-CB 3.95Å; A335-M432 HydrophobicContact CB-CE 4.35Å; A335-M432 HydrophobicContact CB-SD 4.23Å; A335-M432 VanDerWaalsContact O-CE 3.3Å; A335-M432 WeakPolarHBondContact O-CE 3.32Å; Y338-M432 HydrophobicContact CD2-SD 4.05Å; L339-M432 HydrophobicContact CB-CE 4.36Å; M428-M432 HydrophobicContact CE-CE 4.09Å; M428-M432 WeakPolarHBondContact O-CG 3.27Å; M428-M432 PolarHBondContact O-N 3.32Å; L429-M432 HydrophobicContact CB-CE 4.37Å; L429-M432 HydrophobicContact CD1-CE 3.87Å; L429-M432 PolarHBondContact O-N 3.26Å; L430-M432 PolarHBondContact O-N 2.95Å
433	L	97.8	Very high	96.1	Very high	19 Å²	19	26.6 Å²	26.6	10%	0.099	13%	0.13	C	C	.	.	H	α-helix	trans	-80.2	-29.7	-176	-63.5	174.3	0	0	0	113.3	E332 A335 L429 L430 H431 P462 F473	E332-L433 HydrophobicContact CB-CD2 4.43Å; A335-L433 HydrophobicContact CB-CD2 3.64Å; A335-L433 HydrophobicContact CB-CG 4.22Å; L429-L433 HydrophobicContact CD1-CD1 4.13Å; L429-L433 HydrophobicContact CD1-CG 4.21Å; L429-L433 HydrophobicContact CG-CD1 4.03Å; L429-L433 HydrophobicContact CG-CG 4.47Å; L429-L433 WeakPolarHBondContact O-CG 3.39Å; L429-L433 PolarHBondContact O-N 3.44Å; L430-L433 PolarHBondContact O-N 3.28Å; H431-L433 PolarHBondContact O-N 3.03Å; L433-P462 HydrophobicContact CB-CG 4.07Å; L433-F473 HydrophobicContact CD1-CE2 3.97Å; L433-F473 HydrophobicContact CD1-CZ 3.89Å
434	N	96	Very high	95.6	Very high	27 Å²	27	31.3 Å²	31.3	14%	0.144	16%	0.163	C	C	.	.	H	α-helix	trans	-95.1	-22.6	-178.2	-78.9	-65.8	0	0	0	114.8	L430 C436 R441 E460	L430-N434 VanDerWaalsContact O-CB 3.23Å; L430-N434 WeakPolarHBondContact O-CB 3.39Å; L430-N434 PolarHBondContact O-N 3.25Å; L430-N434 PolarHBondContact O-ND2 3Å; L430-N434 VanDerWaalsContact O-ND2 3.15Å; N434-C436 VanDerWaalsContact C-N 3.27Å; N434-C436 PolarHBondContact O-N 3.32Å; N434-R441 PolarHBondContact O-NH2 3.04Å; N434-R441 PolarHBondContact OD1-NH1 2.98Å; N434-E460 PolarHBondContact ND2-O 3.27Å
435	G	94.1	Very high	94.9	Very high	32 Å²	32	36.5 Å²	36.5	33%	0.33	19%	0.186	S	C	.	.	S	Bend	trans	75.4	9.5	-173.3	0	0	0	0	0	115.8	T328 H431	T328-G435 WeakPolarHBondContact O-CA 3.25Å; H431-G435 WeakPolarHBondContact O-CA 3.36Å; H431-G435 PolarHBondContact O-N 2.9Å
436	C	93.1	Very high	94.4	Very high	31 Å²	31	40.2 Å²	40.2	21%	0.209	21%	0.211	C	C	.	.	S	Bend	trans	-147	155.5	168.7	66	0	0	0	0	109.8	H431 N434 R441	H431-C436 WeakPolarHBondContact CA-O 3.23Å; N434-C436 VanDerWaalsContact C-N 3.27Å; N434-C436 PolarHBondContact O-N 3.32Å; C436-R441 PolarHBondContact SG-NE 3.4Å; C436-R441 PolarHBondContact SG-NH2 2.82Å
437	Q	94.6	Very high	93.9	Very high	49 Å²	49	40.2 Å²	40.2	23%	0.229	21%	0.211	C	C	.	.			trans	-61.9	145.7	176.3	-56.5	-174.2	-6.6	0	0	110.5	T404 H431 T440	T404-Q437 HydrophobicContact CG2-CB 3.93Å; T404-Q437 PolarHBondContact OG1-OE1 2.95Å; H431-Q437 PolarHBondContact CD2-N 3.28Å; Q437-T440 HydrophobicContact CB-CG2 4.14Å; Q437-T440 PolarHBondContact O-OG1 3.38Å
438	P	95.4	Very high	93.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	166.2	179.5	27.5	-35.4	0	0	0	111.8	C427 L430 T440	C427-P438 HydrophobicContact CB-CG 3.79Å; L430-P438 HydrophobicContact CB-CB 4.37Å; L430-P438 HydrophobicContact CD1-CB 3.89Å; L430-P438 HydrophobicContact CD1-CG 4.45Å; P438-T440 PolarHBondContact O-N 2.92Å
439	W	95.3	Very high	93	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	-35.6	-174.1	-41.1	95.9	0	0	0	115.2	T404 W423 R441 Y442 Y443 L447 I451 E454 P457 W459 E460	T404-W439 PolarHBondContact O-NE1 3.26Å; W423-W439 HydrophobicContact CZ2-CZ2 4.15Å; W439-R441 PolarHBondContact O-N 3.39Å; W439-Y442 PolarHBondContact O-N 3.01Å; W439-Y443 HydrophobicContact CB-CD2 4.49Å; W439-Y443 HydrophobicContact CE3-CD2 4.24Å; W439-Y443 HydrophobicContact CE3-CE2 4.19Å; W439-Y443 PolarHBondContact O-N 3.19Å; W439-L447 HydrophobicContact CB-CD1 3.96Å; W439-L447 HydrophobicContact CB-CD2 3.99Å; W439-L447 HydrophobicContact CG-CD1 4.45Å; W439-I451 HydrophobicContact CD2-CG1 4.22Å; W439-I451 HydrophobicContact CH2-CG1 4.49Å; W439-I451 HydrophobicContact CZ2-CB 4.48Å; W439-I451 HydrophobicContact CZ2-CG1 3.9Å; W439-E454 HydrophobicContact CZ3-CB 4.18Å; W439-P457 HydrophobicContact CH2-CB 4.27Å; W439-P457 HydrophobicContact CH2-CG 4.16Å; W439-P457 HydrophobicContact CZ2-CB 4.18Å; W439-P457 HydrophobicContact CZ2-CG 3.7Å; W439-W459 HydrophobicContact CE3-CH2 4.47Å; W439-W459 HydrophobicContact CE3-CZ2 4.28Å; W439-W459 HydrophobicContact CH2-CH2 4.37Å; W439-W459 AromaticContact CZ3-CH2 3.79Å; W439-W459 HydrophobicContact CZ3-CH2 3.79Å; W439-W459 HydrophobicContact CZ3-CZ2 4.05Å; W439-E460 PolarHBondContact N-OE1 2.86Å
440	T	92.8	Very high	92.8	Very high	60 Å²	60	48.8 Å²	48.8	37%	0.368	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-19.5	-170.7	65.4	0	0	0	0	115.2	T404 Q437 P438	T404-T440 HydrophobicContact CG2-CG2 3.68Å; Q437-T440 HydrophobicContact CB-CG2 4.14Å; Q437-T440 PolarHBondContact O-OG1 3.38Å; P438-T440 PolarHBondContact O-N 2.92Å
441	R	92.3	Very high	92.6	Very high	125 Å²	125	48.7 Å²	48.7	47%	0.472	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-17.7	173.2	-72.5	179.8	174.7	159.3	5.3	114.3	N434 C436 W439	N434-R441 PolarHBondContact O-NH2 3.04Å; N434-R441 PolarHBondContact OD1-NH1 2.98Å; C436-R441 PolarHBondContact SG-NE 3.4Å; C436-R441 PolarHBondContact SG-NH2 2.82Å; W439-R441 PolarHBondContact O-N 3.39Å
442	Y	91.3	Very high	92.4	Very high	123 Å²	123	49.2 Å²	49.2	48%	0.482	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.8	-30.9	-167	-56.8	-81	0	0	0	112.9	W439 W459 E460	W439-Y442 PolarHBondContact O-N 3.01Å; Y442-W459 AromaticContact CD2-NE1 3.68Å; Y442-W459 AromaticContact CE2-CD1 3.87Å; Y442-W459 AromaticContact CE2-NE1 3.52Å; Y442-W459 AromaticContact CZ-CD1 3.77Å; Y442-W459 AromaticContact CZ-NE1 3.81Å; Y442-E460 HydrophobicContact CD2-CG 4.4Å; Y442-E460 HydrophobicContact CE2-CG 3.69Å
443	Y	90.8	Very high	92.2	Very high	67 Å²	67	55.1 Å²	55.1	26%	0.263	29%	0.291	S	S	.	.			trans	-135.1	140.5	-175.2	-54.5	-85.3	0	0	0	111.1	W439 Q450 E454	W439-Y443 HydrophobicContact CB-CD2 4.49Å; W439-Y443 HydrophobicContact CE3-CD2 4.24Å; W439-Y443 HydrophobicContact CE3-CE2 4.19Å; W439-Y443 PolarHBondContact O-N 3.19Å; Y443-Q450 HydrophobicContact CD1-CB 4.45Å; Y443-Q450 HydrophobicContact CD1-CG 3.66Å; Y443-Q450 HydrophobicContact CE1-CG 4.02Å; Y443-Q450 HydrophobicContact CG-CB 4.44Å; Y443-Q450 HydrophobicContact CG-CG 3.95Å; Y443-E454 WeakPolarHBondContact OH-CG 3.37Å; Y443-E454 PolarHBondContact OH-OE1 3.17Å
444	S	88.5	Confident	92.1	Very high	99 Å²	99	57.5 Å²	57.5	69%	0.692	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-78.3	155.9	165.9	-59	0	0	0	0	111	L447 Q450	S444-L447 WeakPolarHBondContact O-CD2 3.15Å; S444-Q450 PolarHBondContact O-NE2 2.88Å
445	H	82.6	Confident	92.1	Very high	112 Å²	112	59.8 Å²	59.8	52%	0.519	32%	0.318	S	S	.	.	S	Bend	trans	-63.4	151.9	167.5	-66.3	-81.8	0	0	0	112	E403	E403-H445 IonicContact OE2-CE1 2.7Å; E403-H445 IonicContact OE2-CG 3.86Å; E403-H445 IonicContact OE2-ND1 3.11Å; E403-H445 PolarHBondContact OE2-ND1 3.4Å
446	P	88.4	Confident	92.2	Very high	79 Å²	79	59.5 Å²	59.5	51%	0.513	31%	0.31	S	S	.	.	P	Polyproline II helix	cis	-71.1	148.1	-7.7	30.8	-35.1	0	0	0	112.1	Q450	P446-Q450 PolarHBondContact O-NE2 3.31Å; P446-Q450 PolarHBondContact O-OE1 2.98Å
447	L	89	Confident	92.2	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.3	C	S	.	.			trans	-102.2	-13.2	-176.2	-59.6	172	0	0	0	113.9	E403 T404 W439 S444 L449 Q450 I451	E403-L447 HydrophobicContact CG-CB 4.07Å; E403-L447 PolarHBondContact OE1-N 3.39Å; E403-L447 PolarHBondContact OE2-N 3.25Å; T404-L447 HydrophobicContact CG2-CD1 3.58Å; W439-L447 HydrophobicContact CB-CD1 3.96Å; W439-L447 HydrophobicContact CB-CD2 3.99Å; W439-L447 HydrophobicContact CG-CD1 4.45Å; S444-L447 WeakPolarHBondContact O-CD2 3.15Å; L447-L449 VanDerWaalsContact C-N 3.31Å; L447-L449 PolarHBondContact O-N 3.47Å; L447-Q450 WeakPolarHBondContact O-CA 3.3Å; L447-Q450 WeakPolarHBondContact O-CB 3.43Å; L447-Q450 PolarHBondContact O-N 2.86Å; L447-Q450 PolarHBondContact O-OE1 2.9Å; L447-I451 HydrophobicContact CB-CD1 3.89Å; L447-I451 HydrophobicContact CB-CG1 4.34Å; L447-I451 WeakPolarHBondContact O-CG1 3.45Å; L447-I451 PolarHBondContact O-N 3.47Å
448	C	89.7	Confident	92.3	Very high	12 Å²	12	59 Å²	59	8%	0.081	31%	0.306	C	S	.	.	H	α-helix	trans	-51.2	-44.5	-173.8	-71.3	0	0	0	0	113.6	F399 E403 A411 Q450 I451 V452	F399-C448 VanDerWaalsContact CD2-SG 3.59Å; F399-C448 HydrophobicContact CE2-CB 4.22Å; F399-C448 HydrophobicContact CZ-CB 4.37Å; E403-C448 PolarHBondContact OE1-N 3.15Å; E403-C448 PolarHBondContact OE1-SG 2.83Å; A411-C448 HydrophobicContact CB-CB 4.34Å; C448-Q450 VanDerWaalsContact C-N 3.32Å; C448-Q450 PolarHBondContact O-N 3.37Å; C448-I451 PolarHBondContact O-N 3.48Å; C448-V452 WeakPolarHBondContact O-CB 3.41Å; C448-V452 VanDerWaalsContact O-CG2 3.26Å; C448-V452 WeakPolarHBondContact O-CG2 3.41Å; C448-V452 PolarHBondContact O-N 3.17Å
449	L	89.4	Confident	92.3	Very high	129 Å²	129	63.7 Å²	63.7	68%	0.675	32%	0.324	S	S	*	.	H	α-helix	trans	-65.3	-35.6	178.5	-68.1	175.1	0	0	0	112.4	L447 V452 N453	L447-L449 VanDerWaalsContact C-N 3.31Å; L447-L449 PolarHBondContact O-N 3.47Å; L449-V452 PolarHBondContact O-N 2.93Å; L449-N453 VanDerWaalsContact O-CB 3.27Å; L449-N453 WeakPolarHBondContact O-CB 3.25Å; L449-N453 PolarHBondContact O-N 3.07Å; L449-N453 PolarHBondContact O-ND2 3.26Å
450	Q	93.8	Very high	92.4	Very high	39 Å²	39	63.9 Å²	63.9	18%	0.182	33%	0.325	C	S	.	.	H	α-helix	trans	-70	-47.8	178.8	-59.6	86.7	-55.5	0	0	109.4	Y443 S444 P446 L447 C448 V452 N453 E454	Y443-Q450 HydrophobicContact CD1-CB 4.45Å; Y443-Q450 HydrophobicContact CD1-CG 3.66Å; Y443-Q450 HydrophobicContact CE1-CG 4.02Å; Y443-Q450 HydrophobicContact CG-CB 4.44Å; Y443-Q450 HydrophobicContact CG-CG 3.95Å; S444-Q450 PolarHBondContact O-NE2 2.88Å; P446-Q450 PolarHBondContact O-NE2 3.31Å; P446-Q450 PolarHBondContact O-OE1 2.98Å; L447-Q450 WeakPolarHBondContact O-CA 3.3Å; L447-Q450 WeakPolarHBondContact O-CB 3.43Å; L447-Q450 PolarHBondContact O-N 2.86Å; L447-Q450 PolarHBondContact O-OE1 2.9Å; C448-Q450 VanDerWaalsContact C-N 3.32Å; C448-Q450 PolarHBondContact O-N 3.37Å; Q450-V452 PolarHBondContact O-N 2.84Å; Q450-N453 PolarHBondContact O-N 2.92Å; Q450-E454 HydrophobicContact CB-CG 4.29Å; Q450-E454 VanDerWaalsContact O-CB 3.26Å; Q450-E454 WeakPolarHBondContact O-CB 3.27Å; Q450-E454 PolarHBondContact O-N 3.44Å
451	I	94.3	Very high	92.6	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-57.6	-35.9	174.4	-65.7	165.4	0	0	0	111.3	E403 M406 P408 A411 W439 L447 C448 K479	E403-I451 HydrophobicContact CG-CD1 4.43Å; E403-I451 WeakPolarHBondContact O-CD1 3.07Å; M406-I451 HydrophobicContact CB-CD1 4.35Å; P408-I451 HydrophobicContact CB-CG2 4.47Å; P408-I451 HydrophobicContact CG-CG2 4.15Å; A411-I451 HydrophobicContact CB-CB 4.41Å; A411-I451 HydrophobicContact CB-CG2 4.03Å; W439-I451 HydrophobicContact CD2-CG1 4.22Å; W439-I451 HydrophobicContact CH2-CG1 4.49Å; W439-I451 HydrophobicContact CZ2-CB 4.48Å; W439-I451 HydrophobicContact CZ2-CG1 3.9Å; L447-I451 HydrophobicContact CB-CD1 3.89Å; L447-I451 HydrophobicContact CB-CG1 4.34Å; L447-I451 WeakPolarHBondContact O-CG1 3.45Å; L447-I451 PolarHBondContact O-N 3.47Å; C448-I451 PolarHBondContact O-N 3.48Å; I451-K479 WeakPolarHBondContact O-CE 3.41Å; I451-K479 PolarHBondContact O-NZ 2.78Å
452	V	93.9	Very high	92.8	Very high	31 Å²	31	57.6 Å²	57.6	19%	0.188	30%	0.301	C	S	.	.	H	α-helix	trans	-78.9	-38.4	178.2	172.2	0	0	0	0	113.3	A411 R412 C448 L449 Q450 K479	A411-V452 HydrophobicContact CB-CG2 3.68Å; R412-V452 HydrophobicContact CG-CB 4.33Å; R412-V452 HydrophobicContact CG-CG1 3.65Å; R412-V452 HydrophobicContact CG-CG2 3.64Å; C448-V452 WeakPolarHBondContact O-CB 3.41Å; C448-V452 VanDerWaalsContact O-CG2 3.26Å; C448-V452 WeakPolarHBondContact O-CG2 3.41Å; C448-V452 PolarHBondContact O-N 3.17Å; L449-V452 PolarHBondContact O-N 2.93Å; Q450-V452 PolarHBondContact O-N 2.84Å; V452-K479 PolarHBondContact O-NZ 2.97Å
453	N	93	Very high	92.8	Very high	123 Å²	123	58.1 Å²	58.1	66%	0.658	32%	0.323	S	S	*	.	H	α-helix	trans	-97.8	-41	-172.2	-66.1	-55.7	0	0	0	114.8	L449 Q450	L449-N453 VanDerWaalsContact O-CB 3.27Å; L449-N453 WeakPolarHBondContact O-CB 3.25Å; L449-N453 PolarHBondContact O-N 3.07Å; L449-N453 PolarHBondContact O-ND2 3.26Å; Q450-N453 PolarHBondContact O-N 2.92Å
454	E	95.6	Very high	92.9	Very high	69 Å²	69	61.3 Å²	61.3	32%	0.322	34%	0.344	S	S	.	.	S	Bend	trans	-72.4	160.2	-173.8	-63.8	-73.7	-161.3	0	0	112.4	W439 Y443 Q450 K479	W439-E454 HydrophobicContact CZ3-CB 4.18Å; Y443-E454 WeakPolarHBondContact OH-CG 3.37Å; Y443-E454 PolarHBondContact OH-OE1 3.17Å; Q450-E454 HydrophobicContact CB-CG 4.29Å; Q450-E454 VanDerWaalsContact O-CB 3.26Å; Q450-E454 WeakPolarHBondContact O-CB 3.27Å; Q450-E454 PolarHBondContact O-N 3.44Å; E454-K479 WeakPolarHBondContact O-CD 3.27Å; E454-K479 PolarHBondContact O-NZ 2.75Å
455	P	95.9	Very high	93.3	Very high	75 Å²	75	57.6 Å²	57.6	49%	0.487	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-55.5	158.4	167.2	17.1	-25	0	0	0	111.9	W459	P455-W459 HydrophobicContact CB-CZ3 4.11Å; P455-W459 HydrophobicContact CG-CZ3 3.81Å; P455-W459 VanDerWaalsContact O-CH2 3.28Å; P455-W459 WeakPolarHBondContact O-CH2 3.3Å; P455-W459 VanDerWaalsContact O-CZ3 3.26Å; P455-W459 WeakPolarHBondContact O-CZ3 3.34Å
456	P	95.9	Very high	94	Very high	27 Å²	27	54.3 Å²	54.3	18%	0.175	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-60.2	148.9	172	26.9	-33.7	0	0	0	110.5	W423 L458 W459 L477 K479	W423-P456 HydrophobicContact CH2-CB 3.91Å; W423-P456 HydrophobicContact CZ3-CB 4.09Å; P456-L458 HydrophobicContact CB-CG 4.43Å; P456-L458 HydrophobicContact CG-CD1 4.09Å; P456-L458 HydrophobicContact CG-CG 4.24Å; P456-L458 PolarHBondContact O-N 3.11Å; P456-W459 WeakPolarHBondContact O-CZ3 3.46Å; P456-L477 HydrophobicContact CB-CB 4.01Å; P456-L477 WeakPolarHBondContact CB-O 3.26Å; P456-L477 WeakPolarHBondContact CG-O 3.46Å; P456-K479 HydrophobicContact CB-CG 4.41Å; P456-K479 HydrophobicContact CG-CG 4.49Å
457	P	94.9	Very high	94.4	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.305	C	S	.	.	S	Bend	trans	-75.6	48.2	-166.7	31.3	-35.8	0	0	0	114	L430 W439 W459 E460 L477	L430-P457 HydrophobicContact CD1-CB 4.18Å; L430-P457 HydrophobicContact CD1-CG 3.86Å; W439-P457 HydrophobicContact CH2-CB 4.27Å; W439-P457 HydrophobicContact CH2-CG 4.16Å; W439-P457 HydrophobicContact CZ2-CB 4.18Å; W439-P457 HydrophobicContact CZ2-CG 3.7Å; P457-W459 HydrophobicContact CB-CH2 4.18Å; P457-W459 HydrophobicContact CB-CZ2 4.06Å; P457-W459 PolarHBondContact O-N 2.84Å; P457-E460 HydrophobicContact CB-CG 4.22Å; P457-E460 WeakPolarHBondContact O-CB 3.44Å; P457-E460 PolarHBondContact O-N 2.66Å; P457-E460 VanDerWaalsContact O-N 3.14Å; P457-L477 HydrophobicContact CG-CD1 4.21Å
458	L	96.4	Very high	94.8	Very high	68 Å²	68	60.2 Å²	60.2	36%	0.356	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-71.9	-15.5	179.1	-62.9	176.5	0	0	0	112.6	P456 V461 F473 L477	P456-L458 HydrophobicContact CB-CG 4.43Å; P456-L458 HydrophobicContact CG-CD1 4.09Å; P456-L458 HydrophobicContact CG-CG 4.24Å; P456-L458 PolarHBondContact O-N 3.11Å; L458-V461 HydrophobicContact CD2-CG2 4.47Å; L458-V461 PolarHBondContact O-N 2.71Å; L458-F473 HydrophobicContact CD2-CB 3.82Å; L458-L477 HydrophobicContact CD2-CB 4.25Å; L458-L477 HydrophobicContact CD2-CD1 4.09Å
459	W	95.7	Very high	95.2	Very high	99 Å²	99	59.6 Å²	59.6	38%	0.375	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-73.4	-16.3	169.8	64.4	85.3	0	0	0	112.9	W439 Y442 P455 P456 P457 V461	W439-W459 HydrophobicContact CE3-CH2 4.47Å; W439-W459 HydrophobicContact CE3-CZ2 4.28Å; W439-W459 HydrophobicContact CH2-CH2 4.37Å; W439-W459 AromaticContact CZ3-CH2 3.79Å; W439-W459 HydrophobicContact CZ3-CH2 3.79Å; W439-W459 HydrophobicContact CZ3-CZ2 4.05Å; Y442-W459 AromaticContact CD2-NE1 3.68Å; Y442-W459 AromaticContact CE2-CD1 3.87Å; Y442-W459 AromaticContact CE2-NE1 3.52Å; Y442-W459 AromaticContact CZ-CD1 3.77Å; Y442-W459 AromaticContact CZ-NE1 3.81Å; P455-W459 HydrophobicContact CB-CZ3 4.11Å; P455-W459 HydrophobicContact CG-CZ3 3.81Å; P455-W459 VanDerWaalsContact O-CH2 3.28Å; P455-W459 WeakPolarHBondContact O-CH2 3.3Å; P455-W459 VanDerWaalsContact O-CZ3 3.26Å; P455-W459 WeakPolarHBondContact O-CZ3 3.34Å; P456-W459 WeakPolarHBondContact O-CZ3 3.46Å; P457-W459 HydrophobicContact CB-CH2 4.18Å; P457-W459 HydrophobicContact CB-CZ2 4.06Å; P457-W459 PolarHBondContact O-N 2.84Å; W459-V461 VanDerWaalsContact C-N 3.34Å
460	E	96.4	Very high	95.6	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.019	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-87.7	-3.5	175.4	-54.6	-161.3	-132	0	0	112.7	L430 N434 W439 Y442 P457 P462	L430-E460 HydrophobicContact CD1-CB 4.28Å; L430-E460 HydrophobicContact CD2-CB 4.08Å; N434-E460 PolarHBondContact ND2-O 3.27Å; W439-E460 PolarHBondContact N-OE1 2.86Å; Y442-E460 HydrophobicContact CD2-CG 4.4Å; Y442-E460 HydrophobicContact CE2-CG 3.69Å; P457-E460 HydrophobicContact CB-CG 4.22Å; P457-E460 WeakPolarHBondContact O-CB 3.44Å; P457-E460 PolarHBondContact O-N 2.66Å; P457-E460 VanDerWaalsContact O-N 3.14Å; E460-P462 WeakPolarHBondContact O-CD 3.41Å
461	V	96.9	Very high	95.8	Very high	27 Å²	27	55.1 Å²	55.1	16%	0.164	30%	0.303	C	S	.	.	S	Bend	trans	-71.9	120.8	174.2	178.8	0	0	0	0	108.7	L430 L458 W459 S463 C465 F473	L430-V461 HydrophobicContact CD2-CG2 3.93Å; L458-V461 HydrophobicContact CD2-CG2 4.47Å; L458-V461 PolarHBondContact O-N 2.71Å; W459-V461 VanDerWaalsContact C-N 3.34Å; V461-S463 PolarHBondContact O-N 2.68Å; V461-C465 HydrophobicContact CG1-CB 4.42Å; V461-F473 HydrophobicContact CB-CD2 4.22Å; V461-F473 HydrophobicContact CB-CE2 4.36Å; V461-F473 HydrophobicContact CG1-CD2 3.66Å; V461-F473 HydrophobicContact CG1-CE2 3.77Å; V461-F473 HydrophobicContact CG2-CB 3.98Å; V461-F473 HydrophobicContact CG2-CD1 4.23Å; V461-F473 HydrophobicContact CG2-CD2 3.46Å; V461-F473 VanDerWaalsContact CG2-CD2 3.46Å; V461-F473 HydrophobicContact CG2-CE2 3.85Å; V461-F473 HydrophobicContact CG2-CG 3.64Å; V461-F473 HydrophobicContact CG2-CZ 4.36Å
462	P	95.4	Very high	96	Very high	27 Å²	27	55.1 Å²	55.1	18%	0.175	30%	0.303	C	S	.	.			trans	-58.6	134.7	-178.9	-26.4	36	0	0	0	112.5	L433 E460 N464 C465	L433-P462 HydrophobicContact CB-CG 4.07Å; E460-P462 WeakPolarHBondContact O-CD 3.41Å; P462-N464 WeakPolarHBondContact CB-OD1 3.4Å; P462-N464 PolarHBondContact O-N 2.72Å; P462-N464 VanDerWaalsContact O-N 3.14Å; P462-C465 WeakPolarHBondContact O-CB 3.41Å; P462-C465 PolarHBondContact O-N 3.24Å; P462-C465 PolarHBondContact O-SG 3.44Å
463	S	93	Very high	96.3	Very high	133 Å²	133	53.7 Å²	53.7	93%	0.93	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-13.3	-173.5	54.7	0	0	0	0	114.4	V461	V461-S463 PolarHBondContact O-N 2.68Å
464	N	92.8	Very high	96.5	Very high	135 Å²	135	53 Å²	53	72%	0.722	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-6.9	173.4	64.6	-43.8	0	0	0	113.9	P462	P462-N464 WeakPolarHBondContact CB-OD1 3.4Å; P462-N464 PolarHBondContact O-N 2.72Å; P462-N464 VanDerWaalsContact O-N 3.14Å
465	C	95.4	Very high	96.6	Very high	21 Å²	21	50.3 Å²	50.3	14%	0.142	27%	0.272	C	S	.	.	S	Bend	trans	-64.4	147.7	177.6	-72.2	0	0	0	0	112.2	V461 P462 T469	V461-C465 HydrophobicContact CG1-CB 4.42Å; P462-C465 WeakPolarHBondContact O-CB 3.41Å; P462-C465 PolarHBondContact O-N 3.24Å; P462-C465 PolarHBondContact O-SG 3.44Å; C465-T469 HydrophobicContact CB-CG2 4.43Å
466	N	97.6	Very high	96.8	Very high	43 Å²	43	46.8 Å²	46.8	23%	0.23	25%	0.249	C	C	.	.			trans	-60.9	142.5	174.5	-168	-57.2	0	0	0	111.2	E332 F468 T469 A470 A500 V501	E332-N466 WeakPolarHBondContact OE1-CB 3.45Å; E332-N466 PolarHBondContact OE1-N 3.44Å; E332-N466 PolarHBondContact OE2-N 2.97Å; N466-F468 PolarHBondContact O-N 2.9Å; N466-F468 VanDerWaalsContact O-N 3.14Å; N466-F468 WeakPolarHBondContact OD1-CD2 3.12Å; N466-F468 PolarHBondContact OD1-N 3.42Å; N466-T469 WeakPolarHBondContact O-CA 3.47Å; N466-T469 VanDerWaalsContact O-CB 3.27Å; N466-T469 WeakPolarHBondContact O-CB 3.21Å; N466-T469 PolarHBondContact O-N 3Å; N466-A470 PolarHBondContact O-N 2.97Å; N466-A500 PolarHBondContact ND2-O 3.49Å; N466-A500 VanDerWaalsContact ND2-O 3.14Å; N466-V501 HydrophobicContact CB-CG1 3.74Å
467	N	97.2	Very high	96.9	Very high	97 Å²	97	45.5 Å²	45.5	52%	0.519	24%	0.241	S	C	.	.	H	α-helix	trans	-60.4	-26.7	179	-170.9	35.8	0	0	0	112.9	T469 A470 N471 R474	N467-T469 VanDerWaalsContact C-N 3.34Å; N467-A470 PolarHBondContact O-N 2.68Å; N467-N471 WeakPolarHBondContact O-CB 3.14Å; N467-N471 PolarHBondContact O-N 2.81Å; N467-N471 PolarHBondContact O-ND2 3.41Å; N467-R474 PolarHBondContact OD1-NH1 3.14Å
468	F	98.2	Very high	97	Very high	105 Å²	105	51.6 Å²	51.6	46%	0.461	26%	0.264	S	S	.	.	H	α-helix	trans	-66.1	-34.5	171.1	-73.6	-78.4	0	0	0	112.6	N466 N471 V472 K496 A497 A500	N466-F468 PolarHBondContact O-N 2.9Å; N466-F468 VanDerWaalsContact O-N 3.14Å; N466-F468 WeakPolarHBondContact OD1-CD2 3.12Å; N466-F468 PolarHBondContact OD1-N 3.42Å; F468-N471 CarbonylContact O-C 3.54Å; F468-N471 WeakPolarHBondContact O-CB 3.47Å; F468-N471 PolarHBondContact O-N 2.75Å; F468-V472 PolarHBondContact O-N 2.66Å; F468-V472 VanDerWaalsContact O-N 3.12Å; F468-K496 HydrophobicContact CD1-CB 4.44Å; F468-A497 HydrophobicContact CB-CB 3.86Å; F468-A500 HydrophobicContact CB-CB 4.18Å; F468-A500 HydrophobicContact CD2-CB 3.38Å; F468-A500 HydrophobicContact CE2-CB 4.01Å; F468-A500 HydrophobicContact CG-CB 3.98Å
469	T	98.5	Very high	97	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-72.2	-41.8	173.6	-52.2	0	0	0	0	111.6	E332 L336 L429 C465 N466 N467 N471 V472 F473	E332-T469 HydrophobicContact CG-CG2 4.44Å; E332-T469 WeakPolarHBondContact OE1-CB 3.4Å; E332-T469 WeakPolarHBondContact OE1-CG2 3.34Å; E332-T469 PolarHBondContact OE1-OG1 3.11Å; L336-T469 HydrophobicContact CD2-CG2 4.05Å; L429-T469 HydrophobicContact CD2-CG2 4.34Å; C465-T469 HydrophobicContact CB-CG2 4.43Å; N466-T469 WeakPolarHBondContact O-CA 3.47Å; N466-T469 VanDerWaalsContact O-CB 3.27Å; N466-T469 WeakPolarHBondContact O-CB 3.21Å; N466-T469 PolarHBondContact O-N 3Å; N467-T469 VanDerWaalsContact C-N 3.34Å; T469-N471 PolarHBondContact O-N 2.89Å; T469-V472 WeakPolarHBondContact O-CA 3.44Å; T469-V472 VanDerWaalsContact O-CB 3.27Å; T469-V472 WeakPolarHBondContact O-CB 3.09Å; T469-V472 PolarHBondContact O-N 3.37Å; T469-F473 HydrophobicContact CG2-CD2 4.39Å; T469-F473 HydrophobicContact CG2-CE2 4.04Å; T469-F473 WeakPolarHBondContact O-CD2 3.38Å; T469-F473 PolarHBondContact O-N 2.75Å; T469-F473 VanDerWaalsContact O-N 3.14Å
470	A	97.8	Very high	97	Very high	14 Å²	14	48.6 Å²	48.6	12%	0.116	25%	0.253	C	S	.	.	H	α-helix	trans	-57.2	-33.9	168.9	0	0	0	0	0	111.6	N466 N467 F473 R474	N466-A470 PolarHBondContact O-N 2.97Å; N467-A470 PolarHBondContact O-N 2.68Å; A470-F473 PolarHBondContact O-N 3.2Å; A470-R474 WeakPolarHBondContact O-CB 3.49Å; A470-R474 WeakPolarHBondContact O-CD 3.18Å; A470-R474 WeakPolarHBondContact O-CG 3.41Å; A470-R474 PolarHBondContact O-N 3.19Å
471	N	97.8	Very high	97	Very high	60 Å²	60	49.7 Å²	49.7	32%	0.321	26%	0.261	S	S	.	.	H	α-helix	trans	-75.2	-15.5	172.9	-72.1	-26.5	0	0	0	114.9	N467 F468 T469 R474 A475	N467-N471 WeakPolarHBondContact O-CB 3.14Å; N467-N471 PolarHBondContact O-N 2.81Å; N467-N471 PolarHBondContact O-ND2 3.41Å; F468-N471 CarbonylContact O-C 3.54Å; F468-N471 WeakPolarHBondContact O-CB 3.47Å; F468-N471 PolarHBondContact O-N 2.75Å; T469-N471 PolarHBondContact O-N 2.89Å; N471-R474 PolarHBondContact OD1-NH1 2.97Å; N471-A475 WeakPolarHBondContact O-CB 3.47Å
472	V	98.7	Very high	96.9	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-70.6	-54.8	163.7	178.9	0	0	0	0	108.5	L339 L429 F468 T469 R474 A475 G476 L490 K493 A494 A497	L339-V472 HydrophobicContact CD2-CG1 3.88Å; L429-V472 HydrophobicContact CD2-CG1 4.4Å; F468-V472 PolarHBondContact O-N 2.66Å; F468-V472 VanDerWaalsContact O-N 3.12Å; T469-V472 WeakPolarHBondContact O-CA 3.44Å; T469-V472 VanDerWaalsContact O-CB 3.27Å; T469-V472 WeakPolarHBondContact O-CB 3.09Å; T469-V472 PolarHBondContact O-N 3.37Å; V472-R474 PolarHBondContact O-N 3.13Å; V472-A475 PolarHBondContact O-N 3.12Å; V472-G476 PolarHBondContact O-N 3.08Å; V472-L490 HydrophobicContact CB-CD1 4.39Å; V472-L490 HydrophobicContact CG1-CD1 3.6Å; V472-L490 HydrophobicContact CG1-CD2 4.31Å; V472-L490 HydrophobicContact CG1-CG 3.95Å; V472-L490 WeakPolarHBondContact O-CD1 3.3Å; V472-K493 HydrophobicContact CG2-CB 4.12Å; V472-A494 HydrophobicContact CG2-CB 4.36Å; V472-A497 HydrophobicContact CG2-CB 4.14Å
473	F	98.6	Very high	97	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-57.4	-45.9	179.2	-70.1	-63.5	0	0	0	113.2	C426 L429 L430 L433 L458 V461 T469 A470 A475 G476 L477	C426-F473 HydrophobicContact CB-CD1 4.29Å; L429-F473 HydrophobicContact CB-CE1 3.89Å; L429-F473 HydrophobicContact CB-CZ 4.03Å; L429-F473 HydrophobicContact CD2-CD1 4.38Å; L429-F473 HydrophobicContact CD2-CD2 4.46Å; L429-F473 HydrophobicContact CD2-CE1 3.66Å; L429-F473 HydrophobicContact CD2-CE2 3.78Å; L429-F473 HydrophobicContact CD2-CZ 3.36Å; L429-F473 HydrophobicContact CG-CE1 3.84Å; L429-F473 HydrophobicContact CG-CE2 4.29Å; L429-F473 HydrophobicContact CG-CZ 3.48Å; L429-F473 VanDerWaalsContact CG-CZ 3.48Å; L430-F473 HydrophobicContact CD2-CD1 4.33Å; L430-F473 HydrophobicContact CD2-CE1 3.67Å; L430-F473 HydrophobicContact CD2-CE2 4.47Å; L430-F473 HydrophobicContact CD2-CZ 3.71Å; L430-F473 HydrophobicContact CG-CD1 4.33Å; L430-F473 HydrophobicContact CG-CE1 3.63Å; L430-F473 HydrophobicContact CG-CZ 4.1Å; L433-F473 HydrophobicContact CD1-CE2 3.97Å; L433-F473 HydrophobicContact CD1-CZ 3.89Å; L458-F473 HydrophobicContact CD2-CB 3.82Å; V461-F473 HydrophobicContact CB-CD2 4.22Å; V461-F473 HydrophobicContact CB-CE2 4.36Å; V461-F473 HydrophobicContact CG1-CD2 3.66Å; V461-F473 HydrophobicContact CG1-CE2 3.77Å; V461-F473 HydrophobicContact CG2-CB 3.98Å; V461-F473 HydrophobicContact CG2-CD1 4.23Å; V461-F473 HydrophobicContact CG2-CD2 3.46Å; V461-F473 VanDerWaalsContact CG2-CD2 3.46Å; V461-F473 HydrophobicContact CG2-CE2 3.85Å; V461-F473 HydrophobicContact CG2-CG 3.64Å; V461-F473 HydrophobicContact CG2-CZ 4.36Å; T469-F473 HydrophobicContact CG2-CD2 4.39Å; T469-F473 HydrophobicContact CG2-CE2 4.04Å; T469-F473 WeakPolarHBondContact O-CD2 3.38Å; T469-F473 PolarHBondContact O-N 2.75Å; T469-F473 VanDerWaalsContact O-N 3.14Å; A470-F473 PolarHBondContact O-N 3.2Å; F473-A475 PolarHBondContact O-N 3.4Å; F473-G476 PolarHBondContact O-N 3.41Å; F473-L477 HydrophobicContact CB-CD1 4.46Å; F473-L477 HydrophobicContact CD1-CD1 3.89Å; F473-L477 WeakPolarHBondContact O-CB 3.1Å; F473-L477 PolarHBondContact O-N 2.84Å
474	R	98.2	Very high	97.2	Very high	108 Å²	108	56.9 Å²	56.9	41%	0.408	27%	0.271	S	S	.	.	H	α-helix	trans	-62.2	-11.8	176.1	-68.4	165.8	-169.3	141.4	2.2	114.4	N467 A470 N471 V472 R478	N467-R474 PolarHBondContact OD1-NH1 3.14Å; A470-R474 WeakPolarHBondContact O-CB 3.49Å; A470-R474 WeakPolarHBondContact O-CD 3.18Å; A470-R474 WeakPolarHBondContact O-CG 3.41Å; A470-R474 PolarHBondContact O-N 3.19Å; N471-R474 PolarHBondContact OD1-NH1 2.97Å; V472-R474 PolarHBondContact O-N 3.13Å; R474-R478 PolarHBondContact O-NE 3.31Å; R474-R478 PolarHBondContact O-NH2 2.95Å
475	A	98.4	Very high	97.5	Very high	14 Å²	14	51.3 Å²	51.3	12%	0.116	24%	0.244	C	C	.	.	H	α-helix	trans	-107	-33.5	178.3	0	0	0	0	0	113.3	N471 V472 F473 A485 L490 K493	N471-A475 WeakPolarHBondContact O-CB 3.47Å; V472-A475 PolarHBondContact O-N 3.12Å; F473-A475 PolarHBondContact O-N 3.4Å; A475-A485 HydrophobicContact CB-CB 4.21Å; A475-A485 PolarHBondContact O-N 2.73Å; A475-L490 HydrophobicContact CB-CD1 4.05Å; A475-K493 HydrophobicContact CB-CD 3.59Å
476	G	98.2	Very high	97.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-87.3	-32.7	176.9	0	0	0	0	0	114.3	V472 F473 R478 R484	V472-G476 PolarHBondContact O-N 3.08Å; F473-G476 PolarHBondContact O-N 3.41Å; G476-R478 VanDerWaalsContact C-N 3.32Å; G476-R478 PolarHBondContact O-N 2.74Å; G476-R484 WeakPolarHBondContact O-CD 3.44Å; G476-R484 WeakPolarHBondContact O-CG 3.34Å
477	L	98.3	Very high	97.6	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	25%	0.247	C	C	.	.			trans	-94.4	48.6	179.2	-60.5	175	0	0	0	112.2	W423 C426 L430 P456 P457 L458 F473	W423-L477 HydrophobicContact CD2-CD2 3.74Å; W423-L477 HydrophobicContact CE3-CB 4.3Å; W423-L477 HydrophobicContact CE3-CD2 3.83Å; W423-L477 HydrophobicContact CG-CD2 4.21Å; W423-L477 HydrophobicContact CH2-CD2 4.48Å; W423-L477 HydrophobicContact CZ2-CD2 4.43Å; W423-L477 HydrophobicContact CZ3-CB 4.15Å; W423-L477 HydrophobicContact CZ3-CD2 4.2Å; C426-L477 HydrophobicContact CB-CD1 4.27Å; C426-L477 HydrophobicContact CB-CD2 3.55Å; C426-L477 HydrophobicContact CB-CG 3.66Å; L430-L477 HydrophobicContact CD1-CD1 4.09Å; P456-L477 HydrophobicContact CB-CB 4.01Å; P456-L477 WeakPolarHBondContact CB-O 3.26Å; P456-L477 WeakPolarHBondContact CG-O 3.46Å; P457-L477 HydrophobicContact CG-CD1 4.21Å; L458-L477 HydrophobicContact CD2-CB 4.25Å; L458-L477 HydrophobicContact CD2-CD1 4.09Å; F473-L477 HydrophobicContact CB-CD1 4.46Å; F473-L477 HydrophobicContact CD1-CD1 3.89Å; F473-L477 WeakPolarHBondContact O-CB 3.1Å; F473-L477 PolarHBondContact O-N 2.84Å
478	R	98.1	Very high	97.7	Very high	128 Å²	128	51.5 Å²	51.5	48%	0.483	24%	0.244	S	C	.	.			trans	-92.3	124.5	167.5	-67.1	-67.9	177.4	155.5	3	108.9	R474 G476 R484	R474-R478 PolarHBondContact O-NE 3.31Å; R474-R478 PolarHBondContact O-NH2 2.95Å; G476-R478 VanDerWaalsContact C-N 3.32Å; G476-R478 PolarHBondContact O-N 2.74Å; R478-R484 HydrophobicContact CB-CB 4.1Å; R478-R484 HydrophobicContact CB-CG 4.35Å; R478-R484 PolarHBondContact O-NE 3.32Å; R478-R484 PolarHBondContact O-NH2 2.96Å
479	K	96.3	Very high	97.7	Very high	44 Å²	44	47.6 Å²	47.6	19%	0.191	23%	0.232	C	C	.	.	S	Bend	trans	-65.2	-43.9	-177.4	-56.2	-161.3	74.3	172.1	0	111.9	P408 W423 I451 V452 E454 P456 P481 R484	P408-K479 HydrophobicContact CB-CB 4.47Å; P408-K479 HydrophobicContact CG-CB 4.15Å; P408-K479 HydrophobicContact CG-CG 4.24Å; W423-K479 HydrophobicContact CH2-CG 4.19Å; W423-K479 HydrophobicContact CZ3-CG 4.18Å; I451-K479 WeakPolarHBondContact O-CE 3.41Å; I451-K479 PolarHBondContact O-NZ 2.78Å; V452-K479 PolarHBondContact O-NZ 2.97Å; E454-K479 WeakPolarHBondContact O-CD 3.27Å; E454-K479 PolarHBondContact O-NZ 2.75Å; P456-K479 HydrophobicContact CB-CG 4.41Å; P456-K479 HydrophobicContact CG-CG 4.49Å; K479-P481 WeakPolarHBondContact O-CD 3.15Å; K479-R484 PolarHBondContact O-NH2 3.12Å; K479-R484 VanDerWaalsContact O-NH2 3.1Å
480	D	95.8	Very high	97.7	Very high	60 Å²	60	47.6 Å²	47.6	32%	0.321	23%	0.232	S	C	.	.	S	Bend	trans	-60.6	116.9	165	176.3	-33.1	0	0	0	109.2	D482 R483 R484	D480-D482 WeakPolarHBondContact OD1-CA 3.46Å; D480-D482 PolarHBondContact OD1-N 3.22Å; D480-R483 HydrophobicContact CB-CB 4.19Å; D480-R483 HydrophobicContact CB-CG 4.3Å; D480-R483 PolarHBondContact OD1-N 2.88Å; D480-R483 VanDerWaalsContact OD2-CD 3.23Å; D480-R483 WeakPolarHBondContact OD2-CD 3.44Å; D480-R483 WeakPolarHBondContact OD2-CG 3.46Å; D480-R483 IonicContact OD2-CZ 3.83Å; D480-R483 IonicContact OD2-NE 2.61Å; D480-R483 PolarHBondContact OD2-NE 2.81Å; D480-R483 IonicContact OD2-NH2 2.81Å; D480-R484 PolarHBondContact O-N 3.29Å
481	P	95.8	Very high	97.8	Very high	26 Å²	26	50.4 Å²	50.4	17%	0.169	24%	0.24	C	C	.	.	S	Bend	trans	-71.8	-29.2	-177	29.3	-34.3	0	0	0	112.2	K419 K479 R484	K419-P481 HydrophobicContact CB-CB 3.89Å; K419-P481 WeakPolarHBondContact CD-O 3.24Å; K419-P481 HydrophobicContact CG-CB 4.25Å; K419-P481 VanDerWaalsContact CG-O 3.26Å; K419-P481 WeakPolarHBondContact CG-O 3.32Å; K419-P481 PolarHBondContact NZ-O 3.05Å; K479-P481 WeakPolarHBondContact O-CD 3.15Å; P481-R484 WeakPolarHBondContact O-CB 3.5Å; P481-R484 PolarHBondContact O-N 3.48Å; P481-R484 VanDerWaalsContact O-N 3.17Å
482	D	95	Very high	97.8	Very high	137 Å²	137	55.8 Å²	55.8	73%	0.733	26%	0.256	S	S	*	.	S	Bend	trans	-68.9	-43.9	179.7	-69.9	-41	0	0	0	110.6	K419 D480 R484	K419-D482 PolarHBondContact NZ-O 3.3Å; D480-D482 WeakPolarHBondContact OD1-CA 3.46Å; D480-D482 PolarHBondContact OD1-N 3.22Å; D482-R484 PolarHBondContact O-N 3.5Å
483	R	96.9	Very high	97.8	Very high	197 Å²	197	60.3 Å²	60.3	74%	0.743	28%	0.276	S	S	*	.	S	Bend	trans	-70	-10.8	171.8	-61.7	-179.3	-153.2	-125.9	-3	114.2	D480	D480-R483 HydrophobicContact CB-CB 4.19Å; D480-R483 HydrophobicContact CB-CG 4.3Å; D480-R483 PolarHBondContact OD1-N 2.88Å; D480-R483 VanDerWaalsContact OD2-CD 3.23Å; D480-R483 WeakPolarHBondContact OD2-CD 3.44Å; D480-R483 WeakPolarHBondContact OD2-CG 3.46Å; D480-R483 IonicContact OD2-CZ 3.83Å; D480-R483 IonicContact OD2-NE 2.61Å; D480-R483 PolarHBondContact OD2-NE 2.81Å; D480-R483 IonicContact OD2-NH2 2.81Å
484	R	98.1	Very high	97.8	Very high	4 Å²	4	60.3 Å²	60.3	2%	0.015	28%	0.276	C	S	.	.	S	Bend	trans	-75	140.9	175.2	-160.2	-178.5	-58.6	152.3	10.3	110.3	E409 K419 G476 R478 K479 D480 P481 D482	E409-R484 IonicContact OE1-CZ 3.57Å; E409-R484 IonicContact OE1-NH1 3.54Å; E409-R484 PolarHBondContact OE1-NH1 2.66Å; E409-R484 IonicContact OE1-NH2 2.73Å; E409-R484 PolarHBondContact OE1-NH2 3.12Å; E409-R484 IonicContact OE2-CZ 2.78Å; E409-R484 IonicContact OE2-NH1 2.83Å; E409-R484 PolarHBondContact OE2-NH1 3.11Å; E409-R484 IonicContact OE2-NH2 3.67Å; E409-R484 PolarHBondContact OE2-NH2 3.37Å; K419-R484 VanDerWaalsContact C-NH1 3.26Å; K419-R484 HydrophobicContact CD-CB 4.39Å; K419-R484 WeakPolarHBondContact CE-O 3.42Å; K419-R484 PolarHBondContact NZ-O 3.05Å; K419-R484 WeakPolarHBondContact O-CD 3.05Å; K419-R484 PolarHBondContact O-NH1 2.8Å; G476-R484 WeakPolarHBondContact O-CD 3.44Å; G476-R484 WeakPolarHBondContact O-CG 3.34Å; R478-R484 HydrophobicContact CB-CB 4.1Å; R478-R484 HydrophobicContact CB-CG 4.35Å; R478-R484 PolarHBondContact O-NE 3.32Å; R478-R484 PolarHBondContact O-NH2 2.96Å; K479-R484 PolarHBondContact O-NH2 3.12Å; K479-R484 VanDerWaalsContact O-NH2 3.1Å; D480-R484 PolarHBondContact O-N 3.29Å; P481-R484 WeakPolarHBondContact O-CB 3.5Å; P481-R484 PolarHBondContact O-N 3.48Å; P481-R484 VanDerWaalsContact O-N 3.17Å; D482-R484 PolarHBondContact O-N 3.5Å
485	A	98.2	Very high	97.8	Very high	19 Å²	19	57 Å²	57	16%	0.157	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-58.4	150.3	174.7	0	0	0	0	0	111.6	V422 A475 L490	V422-A485 WeakPolarHBondContact CG1-O 3.41Å; A475-A485 HydrophobicContact CB-CB 4.21Å; A475-A485 PolarHBondContact O-N 2.73Å; A485-L490 HydrophobicContact CB-CB 4.17Å; A485-L490 HydrophobicContact CB-CD1 4.41Å
486	S	98.5	Very high	97.8	Very high	59 Å²	59	63.2 Å²	63.2	41%	0.413	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-73.9	161.4	163.2	61	0	0	0	0	110.6	K488 G489 L490	S486-K488 VanDerWaalsContact C-N 3.25Å; S486-K488 PolarHBondContact O-N 3.14Å; S486-G489 WeakPolarHBondContact O-CA 3.49Å; S486-G489 PolarHBondContact O-N 2.83Å; S486-G489 PolarHBondContact OG-N 3.22Å; S486-L490 PolarHBondContact O-N 3.2Å
487	A	98.4	Very high	97.8	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.008	29%	0.292	C	S	.	.	H	α-helix	trans	-51.9	-45.7	176.1	0	0	0	0	0	111.9	L343 L346 V422 G489 L490 R491	L343-A487 HydrophobicContact CD2-CB 4.18Å; L346-A487 HydrophobicContact CB-CB 3.84Å; V422-A487 HydrophobicContact CG2-CB 4.27Å; A487-G489 PolarHBondContact O-N 3.03Å; A487-L490 PolarHBondContact O-N 3.38Å; A487-R491 WeakPolarHBondContact O-CB 3.37Å; A487-R491 PolarHBondContact O-N 2.96Å
488	K	98.4	Very high	97.8	Very high	105 Å²	105	64.3 Å²	64.3	46%	0.457	30%	0.297	S	S	.	.	H	α-helix	trans	-56.9	-45.3	172.7	-176.3	168.2	-157.3	137.1	0	113.7	E347 S486 R492	E347-K488 HydrophobicContact CG-CB 4.14Å; E347-K488 WeakPolarHBondContact OE1-CD 3.5Å; E347-K488 WeakPolarHBondContact OE1-CE 3.39Å; E347-K488 WeakPolarHBondContact OE1-CG 3.37Å; E347-K488 IonicContact OE1-NZ 3.23Å; E347-K488 PolarHBondContact OE1-NZ 2.54Å; S486-K488 VanDerWaalsContact C-N 3.25Å; S486-K488 PolarHBondContact O-N 3.14Å; K488-R492 WeakPolarHBondContact O-CG 3.24Å; K488-R492 PolarHBondContact O-N 2.8Å; K488-R492 VanDerWaalsContact O-N 3.13Å
489	G	98.5	Very high	97.9	Very high	22 Å²	22	67.6 Å²	67.6	23%	0.227	31%	0.31	C	S	.	.	H	α-helix	trans	-66.3	-42.3	178.1	0	0	0	0	0	112.5	S486 A487 K493	S486-G489 WeakPolarHBondContact O-CA 3.49Å; S486-G489 PolarHBondContact O-N 2.83Å; S486-G489 PolarHBondContact OG-N 3.22Å; A487-G489 PolarHBondContact O-N 3.03Å; G489-K493 PolarHBondContact O-N 3.23Å
490	L	98.6	Very high	97.9	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-69.2	-40.1	176.9	-164.1	67.9	0	0	0	111.2	L343 V422 V472 A475 A485 S486 A487 R492 K493 A494	L343-L490 HydrophobicContact CD1-CB 4.06Å; L343-L490 HydrophobicContact CD1-CD2 3.95Å; L343-L490 HydrophobicContact CD1-CG 3.92Å; L343-L490 HydrophobicContact CD2-CB 4.35Å; L343-L490 HydrophobicContact CD2-CD2 4.07Å; V422-L490 HydrophobicContact CG1-CB 4.19Å; V422-L490 HydrophobicContact CG1-CD2 3.55Å; V422-L490 HydrophobicContact CG1-CG 4.42Å; V472-L490 HydrophobicContact CB-CD1 4.39Å; V472-L490 HydrophobicContact CG1-CD1 3.6Å; V472-L490 HydrophobicContact CG1-CD2 4.31Å; V472-L490 HydrophobicContact CG1-CG 3.95Å; V472-L490 WeakPolarHBondContact O-CD1 3.3Å; A475-L490 HydrophobicContact CB-CD1 4.05Å; A485-L490 HydrophobicContact CB-CB 4.17Å; A485-L490 HydrophobicContact CB-CD1 4.41Å; S486-L490 PolarHBondContact O-N 3.2Å; A487-L490 PolarHBondContact O-N 3.38Å; L490-R492 VanDerWaalsContact C-N 3.32Å; L490-R492 PolarHBondContact O-N 2.81Å; L490-K493 CarbonylContact O-C 3.48Å; L490-K493 WeakPolarHBondContact O-CA 3.28Å; L490-K493 WeakPolarHBondContact O-CB 3.37Å; L490-K493 PolarHBondContact O-N 3.48Å; L490-A494 PolarHBondContact O-N 2.87Å
491	R	98.6	Very high	98	Very high	74 Å²	74	66.8 Å²	66.8	28%	0.279	32%	0.315	S	S	.	.	H	α-helix	trans	-59.8	-40.4	176.6	-167.6	177.8	174.7	-147.9	-5	112	H340 L343 E347 A487 K493 A494 T495	H340-R491 PolarHBondContact CE1-NE 3.37Å; H340-R491 PolarHBondContact NE2-NE 3.19Å; H340-R491 PolarHBondContact NE2-NH2 3.16Å; H340-R491 PolarHBondContact O-NE 3.13Å; L343-R491 HydrophobicContact CB-CB 3.87Å; L343-R491 HydrophobicContact CB-CG 4.05Å; L343-R491 HydrophobicContact CD1-CB 4.31Å; E347-R491 WeakPolarHBondContact OE2-CD 3.43Å; E347-R491 IonicContact OE2-CZ 2.73Å; E347-R491 IonicContact OE2-NH1 3.4Å; E347-R491 PolarHBondContact OE2-NH1 2.68Å; A487-R491 WeakPolarHBondContact O-CB 3.37Å; A487-R491 PolarHBondContact O-N 2.96Å; R491-K493 VanDerWaalsContact C-N 3.35Å; R491-K493 PolarHBondContact O-N 2.99Å; R491-A494 PolarHBondContact O-N 3.14Å; R491-T495 WeakPolarHBondContact O-CB 3.4Å; R491-T495 PolarHBondContact O-N 3.49Å; R491-T495 PolarHBondContact O-OG1 3.02Å
492	R	98.7	Very high	98.1	Very high	173 Å²	173	69 Å²	69	65%	0.653	34%	0.343	S	S	*	.	H	α-helix	trans	-59.7	-42.4	171.4	-74.5	172	170.6	-170.7	-4.8	111.8	K488 L490 T495 K496	K488-R492 WeakPolarHBondContact O-CG 3.24Å; K488-R492 PolarHBondContact O-N 2.8Å; K488-R492 VanDerWaalsContact O-N 3.13Å; L490-R492 VanDerWaalsContact C-N 3.32Å; L490-R492 PolarHBondContact O-N 2.81Å; R492-T495 PolarHBondContact O-N 3.2Å; R492-K496 PolarHBondContact O-N 2.94Å
493	K	98.7	Very high	98.1	Very high	95 Å²	95	63.7 Å²	63.7	41%	0.413	32%	0.321	S	S	.	.	H	α-helix	trans	-67.8	-45.4	176.2	-66.7	176.6	-173.2	-76.6	0	112	V472 A475 G489 L490 R491 T495 K496 A497	V472-K493 HydrophobicContact CG2-CB 4.12Å; A475-K493 HydrophobicContact CB-CD 3.59Å; G489-K493 PolarHBondContact O-N 3.23Å; L490-K493 CarbonylContact O-C 3.48Å; L490-K493 WeakPolarHBondContact O-CA 3.28Å; L490-K493 WeakPolarHBondContact O-CB 3.37Å; L490-K493 PolarHBondContact O-N 3.48Å; R491-K493 VanDerWaalsContact C-N 3.35Å; R491-K493 PolarHBondContact O-N 2.99Å; K493-T495 VanDerWaalsContact C-N 3.28Å; K493-T495 PolarHBondContact O-N 3.35Å; K493-K496 PolarHBondContact O-N 3.21Å; K493-K496 VanDerWaalsContact O-N 3.08Å; K493-A497 PolarHBondContact O-N 3.11Å
494	A	98.5	Very high	98.1	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.8	-36.7	175.1	0	0	0	0	0	112.2	L339 L343 V472 L490 R491 A497 L498	L339-A494 HydrophobicContact CD2-CB 4.46Å; L343-A494 HydrophobicContact CD1-CB 4.43Å; V472-A494 HydrophobicContact CG2-CB 4.36Å; L490-A494 PolarHBondContact O-N 2.87Å; R491-A494 PolarHBondContact O-N 3.14Å; A494-A497 PolarHBondContact O-N 3.39Å; A494-L498 WeakPolarHBondContact O-CB 3.04Å; A494-L498 PolarHBondContact O-N 3.12Å
495	T	98.6	Very high	98	Very high	38 Å²	38	58.2 Å²	58.2	23%	0.233	31%	0.309	C	S	.	.	H	α-helix	trans	-65.2	-39.1	173.8	-49.7	0	0	0	0	112.3	H340 R491 R492 K493 R499	H340-T495 PolarHBondContact CE1-OG1 2.84Å; H340-T495 PolarHBondContact ND1-OG1 3.05Å; R491-T495 WeakPolarHBondContact O-CB 3.4Å; R491-T495 PolarHBondContact O-N 3.49Å; R491-T495 PolarHBondContact O-OG1 3.02Å; R492-T495 PolarHBondContact O-N 3.2Å; K493-T495 VanDerWaalsContact C-N 3.28Å; K493-T495 PolarHBondContact O-N 3.35Å; T495-R499 WeakPolarHBondContact O-CG 3.27Å; T495-R499 PolarHBondContact O-N 2.94Å
496	K	98.4	Very high	97.8	Very high	145 Å²	145	61.8 Å²	61.8	63%	0.63	33%	0.333	S	S	*	.	H	α-helix	trans	-67	-41.5	173.3	-71.6	-171	176.2	-169.1	0	111.2	F468 R492 K493 R499 A500	F468-K496 HydrophobicContact CD1-CB 4.44Å; R492-K496 PolarHBondContact O-N 2.94Å; K493-K496 PolarHBondContact O-N 3.21Å; K493-K496 VanDerWaalsContact O-N 3.08Å; K496-R499 PolarHBondContact O-N 3.36Å; K496-A500 WeakPolarHBondContact O-CB 3.44Å; K496-A500 PolarHBondContact O-N 3.31Å
497	A	98.6	Very high	97.6	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-62.5	-47.6	176.2	0	0	0	0	0	112.6	L336 F468 V472 K493 A494 R499 A500 V501	L336-A497 HydrophobicContact CD1-CB 3.82Å; L336-A497 HydrophobicContact CD2-CB 3.8Å; L336-A497 HydrophobicContact CG-CB 4.47Å; F468-A497 HydrophobicContact CB-CB 3.86Å; V472-A497 HydrophobicContact CG2-CB 4.14Å; K493-A497 PolarHBondContact O-N 3.11Å; A494-A497 PolarHBondContact O-N 3.39Å; A497-R499 VanDerWaalsContact C-N 3.28Å; A497-R499 PolarHBondContact O-N 3.15Å; A497-A500 WeakPolarHBondContact O-CA 3.4Å; A497-A500 WeakPolarHBondContact O-CB 3.39Å; A497-A500 PolarHBondContact O-N 2.88Å; A497-V501 PolarHBondContact O-N 3.33Å; A497-V501 VanDerWaalsContact O-N 3.08Å
498	L	98.4	Very high	97.4	Very high	23 Å²	23	63.6 Å²	63.6	12%	0.12	35%	0.345	C	S	.	.	H	α-helix	trans	-59	-39.6	178.6	-178.1	57.2	0	0	0	111.6	D333 L336 H337 A494 V501 G503	D333-L498 HydrophobicContact CB-CD1 4.39Å; D333-L498 VanDerWaalsContact O-CD1 3.25Å; D333-L498 WeakPolarHBondContact O-CD1 3.18Å; L336-L498 HydrophobicContact CB-CB 4.22Å; L336-L498 HydrophobicContact CB-CD1 4.16Å; H337-L498 HydrophobicContact CB-CD1 4.37Å; H337-L498 HydrophobicContact CB-CD2 4.1Å; A494-L498 WeakPolarHBondContact O-CB 3.04Å; A494-L498 PolarHBondContact O-N 3.12Å; L498-V501 HydrophobicContact CD1-CG2 4.35Å; L498-V501 VanDerWaalsContact O-CG2 3.27Å; L498-V501 WeakPolarHBondContact O-CG2 3.38Å; L498-G503 VanDerWaalsContact O-CA 3.23Å; L498-G503 WeakPolarHBondContact O-CA 3.37Å; L498-G503 PolarHBondContact O-N 3.49Å
499	R	98.2	Very high	97.2	Very high	197 Å²	197	59.3 Å²	59.3	74%	0.743	33%	0.327	S	S	*	.	H	α-helix	trans	-66.7	-38.2	172.9	-69.8	174.2	-178.4	-169.6	-0.7	112.5	T495 K496 A497 V501 G502	T495-R499 WeakPolarHBondContact O-CG 3.27Å; T495-R499 PolarHBondContact O-N 2.94Å; K496-R499 PolarHBondContact O-N 3.36Å; A497-R499 VanDerWaalsContact C-N 3.28Å; A497-R499 PolarHBondContact O-N 3.15Å; R499-V501 VanDerWaalsContact C-N 3.29Å; R499-V501 PolarHBondContact O-N 3.33Å; R499-G502 PolarHBondContact O-N 3.48Å; R499-G502 VanDerWaalsContact O-N 3.12Å
500	A	97.9	Very high	97	Very high	43 Å²	43	64 Å²	64	36%	0.355	34%	0.341	S	S	.	.	H	α-helix	trans	-70.9	-18.7	-179.5	0	0	0	0	0	114.4	N466 F468 K496 A497	N466-A500 PolarHBondContact ND2-O 3.49Å; N466-A500 VanDerWaalsContact ND2-O 3.14Å; F468-A500 HydrophobicContact CB-CB 4.18Å; F468-A500 HydrophobicContact CD2-CB 3.38Å; F468-A500 HydrophobicContact CE2-CB 4.01Å; F468-A500 HydrophobicContact CG-CB 3.98Å; K496-A500 WeakPolarHBondContact O-CB 3.44Å; K496-A500 PolarHBondContact O-N 3.31Å; A497-A500 WeakPolarHBondContact O-CA 3.4Å; A497-A500 WeakPolarHBondContact O-CB 3.39Å; A497-A500 PolarHBondContact O-N 2.88Å
501	V	97.6	Very high	96.7	Very high	44 Å²	44	66.2 Å²	66.2	27%	0.267	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	6.8	170.1	-59	0	0	0	0	113.6	E332 D333 L336 N466 A497 L498 R499	E332-V501 HydrophobicContact CG-CG1 4.13Å; D333-V501 HydrophobicContact CB-CG2 4.08Å; L336-V501 HydrophobicContact CD1-CG1 4.36Å; L336-V501 HydrophobicContact CD1-CG2 4.05Å; N466-V501 HydrophobicContact CB-CG1 3.74Å; A497-V501 PolarHBondContact O-N 3.33Å; A497-V501 VanDerWaalsContact O-N 3.08Å; L498-V501 HydrophobicContact CD1-CG2 4.35Å; L498-V501 VanDerWaalsContact O-CG2 3.27Å; L498-V501 WeakPolarHBondContact O-CG2 3.38Å; R499-V501 VanDerWaalsContact C-N 3.29Å; R499-V501 PolarHBondContact O-N 3.33Å
502	G	96.7	Very high	96.3	Very high	74 Å²	74	62.7 Å²	62.7	76%	0.763	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	99	2.9	178.2	0	0	0	0	0	115.4	R499	R499-G502 PolarHBondContact O-N 3.48Å; R499-G502 VanDerWaalsContact O-N 3.12Å
503	G	96.3	Very high	96	Very high	25 Å²	25	55.9 Å²	55.9	26%	0.258	33%	0.325	S	S	.	.	S	Bend	trans	87.4	180	-171.2	0	0	0	0	0	112.5	D333 L498 S505	D333-G503 WeakPolarHBondContact CB-O 3.44Å; L498-G503 VanDerWaalsContact O-CA 3.23Å; L498-G503 WeakPolarHBondContact O-CA 3.37Å; L498-G503 PolarHBondContact O-N 3.49Å; G503-S505 PolarHBondContact O-N 2.92Å
504	L	96.8	Very high	95.6	Very high	49 Å²	49	56 Å²	56	26%	0.257	33%	0.328	S	S	.	.			trans	-72.9	119.5	174.7	177.8	65.9	0	0	0	109.9	L334 H337 I509	L334-L504 HydrophobicContact CB-CD1 4.32Å; L334-L504 HydrophobicContact CD1-CD1 3.79Å; H337-L504 HydrophobicContact CB-CD1 4Å; H337-L504 HydrophobicContact CB-CD2 4.35Å; L504-I509 HydrophobicContact CD1-CG1 4.02Å; L504-I509 HydrophobicContact CD2-CD1 3.56Å; L504-I509 HydrophobicContact CD2-CG1 3.75Å; L504-I509 HydrophobicContact CG-CD1 3.84Å; L504-I509 HydrophobicContact CG-CG1 3.83Å
505	S	95.8	Very high	95.1	Very high	37 Å²	37	60.6 Å²	60.6	26%	0.259	35%	0.347	S	S	.	.			trans	-81.5	137.9	179.2	76.7	0	0	0	0	111.8	D333 G503 S507 S508 I509	D333-S505 WeakPolarHBondContact OD2-CA 3.36Å; D333-S505 VanDerWaalsContact OD2-CB 3.24Å; D333-S505 WeakPolarHBondContact OD2-CB 3.41Å; D333-S505 PolarHBondContact OD2-N 2.88Å; D333-S505 PolarHBondContact OD2-OG 3.14Å; G503-S505 PolarHBondContact O-N 2.92Å; S505-S507 WeakPolarHBondContact CB-OG 3.48Å; S505-S507 PolarHBondContact O-N 2.83Å; S505-S507 PolarHBondContact OG-OG 2.85Å; S505-S508 PolarHBondContact O-N 3.49Å; S505-S508 VanDerWaalsContact O-N 3.13Å; S505-S508 WeakPolarHBondContact OG-CB 3.45Å; S505-S508 PolarHBondContact OG-N 3.36Å; S505-S508 VanDerWaalsContact OG-N 3.12Å; S505-S508 PolarHBondContact OG-OG 2.79Å; S505-I509 PolarHBondContact O-N 2.71Å
506	S	94.5	Very high	94.4	Very high	94 Å²	94	60 Å²	60	66%	0.657	34%	0.342	S	S	*	.	H	α-helix	trans	-60.1	-26.7	173.9	-52	0	0	0	0	112.4	K510	S506-K510 WeakPolarHBondContact O-CB 3.26Å; S506-K510 PolarHBondContact O-N 2.89Å
507	S	93.8	Very high	93.4	Very high	82 Å²	82	56.4 Å²	56.4	57%	0.573	33%	0.328	S	S	*	.	H	α-helix	trans	-63.4	-47.4	172.4	32.1	0	0	0	0	112.9	S505 K510 A511	S505-S507 WeakPolarHBondContact CB-OG 3.48Å; S505-S507 PolarHBondContact O-N 2.83Å; S505-S507 PolarHBondContact OG-OG 2.85Å; S507-K510 PolarHBondContact O-N 2.96Å; S507-A511 WeakPolarHBondContact O-CB 3.26Å; S507-A511 PolarHBondContact O-N 3.2Å
508	S	94.8	Very high	91.8	Very high	15 Å²	15	61.5 Å²	61.5	11%	0.105	35%	0.352	C	S	.	.	H	α-helix	trans	-65	-41.9	179.4	-64.7	0	0	0	0	111.9	P331 D333 S505 A512	P331-S508 WeakPolarHBondContact CG-OG 3.39Å; D333-S508 VanDerWaalsContact CG-OG 3.26Å; D333-S508 WeakPolarHBondContact OD1-CB 3.19Å; D333-S508 PolarHBondContact OD1-OG 3.17Å; D333-S508 WeakPolarHBondContact OD2-CB 3.23Å; D333-S508 PolarHBondContact OD2-OG 2.97Å; S505-S508 PolarHBondContact O-N 3.49Å; S505-S508 VanDerWaalsContact O-N 3.13Å; S505-S508 WeakPolarHBondContact OG-CB 3.45Å; S505-S508 PolarHBondContact OG-N 3.36Å; S505-S508 VanDerWaalsContact OG-N 3.12Å; S505-S508 PolarHBondContact OG-OG 2.79Å; S508-A512 WeakPolarHBondContact O-CB 3.45Å; S508-A512 PolarHBondContact O-N 3.43Å
509	I	94	Very high	89.6	Confident	16 Å²	16	62.5 Å²	62.5	8%	0.082	37%	0.367	C	S	.	.	H	α-helix	trans	-62.3	-47.1	173.9	-51.3	165.2	0	0	0	110.4	D369 C370 R371 L504 S505 A511 A512 C513	D369-I509 WeakPolarHBondContact O-CG2 3.17Å; C370-I509 HydrophobicContact CB-CG2 4.34Å; R371-I509 HydrophobicContact CG-CD1 4.31Å; R371-I509 HydrophobicContact CG-CG2 3.97Å; L504-I509 HydrophobicContact CD1-CG1 4.02Å; L504-I509 HydrophobicContact CD2-CD1 3.56Å; L504-I509 HydrophobicContact CD2-CG1 3.75Å; L504-I509 HydrophobicContact CG-CD1 3.84Å; L504-I509 HydrophobicContact CG-CG1 3.83Å; S505-I509 PolarHBondContact O-N 2.71Å; I509-A511 PolarHBondContact O-N 3.25Å; I509-A512 WeakPolarHBondContact O-CB 3.38Å; I509-A512 PolarHBondContact O-N 3.19Å; I509-C513 VanDerWaalsContact O-CB 3.3Å; I509-C513 WeakPolarHBondContact O-CB 3.47Å; I509-C513 PolarHBondContact O-N 3.3Å
510	K	92.8	Very high	87.1	Confident	119 Å²	119	55.1 Å²	55.1	52%	0.517	34%	0.341	S	S	.	.	H	α-helix	trans	-63.7	-43.8	-177	-175.8	169.6	179.5	-69.9	0	111.4	S506 S507 A512 C513 E514	S506-K510 WeakPolarHBondContact O-CB 3.26Å; S506-K510 PolarHBondContact O-N 2.89Å; S507-K510 PolarHBondContact O-N 2.96Å; K510-A512 PolarHBondContact O-N 3.2Å; K510-C513 PolarHBondContact O-N 2.82Å; K510-E514 WeakPolarHBondContact CE-OE1 3.41Å; K510-E514 HydrophobicContact CG-CG 4.29Å; K510-E514 IonicContact NZ-OE1 3.22Å; K510-E514 PolarHBondContact NZ-OE1 2.93Å; K510-E514 IonicContact NZ-OE2 2.69Å; K510-E514 VanDerWaalsContact O-CB 3.28Å; K510-E514 WeakPolarHBondContact O-CB 3.28Å; K510-E514 VanDerWaalsContact O-CG 3.24Å; K510-E514 WeakPolarHBondContact O-CG 3.45Å; K510-E514 PolarHBondContact O-N 3.25Å
511	A	92.2	Very high	83.9	Confident	47 Å²	47	60.8 Å²	60.8	39%	0.388	35%	0.354	S	S	.	.	H	α-helix	trans	-62.5	-40.1	174.3	0	0	0	0	0	112.4	S507 I509 K515	S507-A511 WeakPolarHBondContact O-CB 3.26Å; S507-A511 PolarHBondContact O-N 3.2Å; I509-A511 PolarHBondContact O-N 3.25Å; A511-K515 VanDerWaalsContact O-CB 3.29Å; A511-K515 WeakPolarHBondContact O-CB 3.47Å; A511-K515 WeakPolarHBondContact O-CG 3.39Å; A511-K515 PolarHBondContact O-N 3.03Å
512	A	92.1	Very high	80.9	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.008	37%	0.369	C	S	.	.	H	α-helix	trans	-63	-45.6	175.7	0	0	0	0	0	112.7	L323 I327 L334 C370 S508 I509 K510 L516	L323-A512 HydrophobicContact CD1-CB 3.81Å; L323-A512 HydrophobicContact CD2-CB 4.24Å; I327-A512 HydrophobicContact CD1-CB 4.35Å; L334-A512 HydrophobicContact CD2-CB 3.85Å; C370-A512 HydrophobicContact CB-CB 4.12Å; S508-A512 WeakPolarHBondContact O-CB 3.45Å; S508-A512 PolarHBondContact O-N 3.43Å; I509-A512 WeakPolarHBondContact O-CB 3.38Å; I509-A512 PolarHBondContact O-N 3.19Å; K510-A512 PolarHBondContact O-N 3.2Å; A512-L516 PolarHBondContact O-N 3.42Å; A512-L516 VanDerWaalsContact O-N 3.13Å
513	C	91.5	Very high	77.9	Confident	30 Å²	30	68.2 Å²	68.2	20%	0.203	37%	0.37	C	S	.	.	H	α-helix	trans	-66.3	-49.5	178.2	-170.1	0	0	0	0	111.4	C370 I509 K510 K515 L516 H517	C370-C513 HydrophobicContact CB-CB 4.41Å; C370-C513 VanDerWaalsContact SG-CA 3.57Å; I509-C513 VanDerWaalsContact O-CB 3.3Å; I509-C513 WeakPolarHBondContact O-CB 3.47Å; I509-C513 PolarHBondContact O-N 3.3Å; K510-C513 PolarHBondContact O-N 2.82Å; C513-K515 VanDerWaalsContact C-N 3.27Å; C513-K515 PolarHBondContact O-N 3.23Å; C513-L516 PolarHBondContact O-N 2.93Å; C513-H517 PolarHBondContact O-CD2 2.83Å; C513-H517 PolarHBondContact O-N 3.43Å; C513-H517 VanDerWaalsContact SG-CD2 3.5Å
514	E	90.6	Very high	75	Confident	98 Å²	98	72.8 Å²	72.8	46%	0.458	38%	0.38	S	S	.	.	H	α-helix	trans	-55	-43.6	176.3	-77.4	174.8	153.9	0	0	111.5	K510 H517 H518	K510-E514 WeakPolarHBondContact CE-OE1 3.41Å; K510-E514 HydrophobicContact CG-CG 4.29Å; K510-E514 IonicContact NZ-OE1 3.22Å; K510-E514 PolarHBondContact NZ-OE1 2.93Å; K510-E514 IonicContact NZ-OE2 2.69Å; K510-E514 VanDerWaalsContact O-CB 3.28Å; K510-E514 WeakPolarHBondContact O-CB 3.28Å; K510-E514 VanDerWaalsContact O-CG 3.24Å; K510-E514 WeakPolarHBondContact O-CG 3.45Å; K510-E514 PolarHBondContact O-N 3.25Å; E514-H517 PolarHBondContact O-N 2.93Å; E514-H518 WeakPolarHBondContact O-CB 3.49Å; E514-H518 PolarHBondContact O-N 3.22Å
515	K	88.2	Confident	71.9	Confident	95 Å²	95	77.1 Å²	77.1	41%	0.413	40%	0.402	S	S	.	.	H	α-helix	trans	-64.9	-49	178.7	-86.9	-82.6	-174.5	166	0	113.7	E326 I327 A511 C513 H517 H518 G519	E326-K515 HydrophobicContact CB-CB 4.39Å; E326-K515 HydrophobicContact CB-CD 4.24Å; E326-K515 WeakPolarHBondContact O-CD 3.43Å; E326-K515 WeakPolarHBondContact O-CE 3.48Å; E326-K515 PolarHBondContact O-NZ 3.24Å; I327-K515 HydrophobicContact CD1-CB 3.79Å; I327-K515 HydrophobicContact CD1-CG 3.97Å; I327-K515 HydrophobicContact CG1-CB 3.87Å; I327-K515 HydrophobicContact CG1-CD 4.23Å; I327-K515 HydrophobicContact CG1-CG 3.83Å; A511-K515 VanDerWaalsContact O-CB 3.29Å; A511-K515 WeakPolarHBondContact O-CB 3.47Å; A511-K515 WeakPolarHBondContact O-CG 3.39Å; A511-K515 PolarHBondContact O-N 3.03Å; C513-K515 VanDerWaalsContact C-N 3.27Å; C513-K515 PolarHBondContact O-N 3.23Å; K515-H517 VanDerWaalsContact C-N 3.28Å; K515-H517 PolarHBondContact O-N 3.47Å; K515-H518 PolarHBondContact O-N 3.25Å; K515-G519 PolarHBondContact O-N 3.49Å
516	L	82.9	Confident	68.7	Low	25 Å²	25	84.4 Å²	84.4	13%	0.131	43%	0.43	C	S	.	.	H	α-helix	trans	-64.1	-31.7	178.5	-77.9	171.5	0	0	0	113	A318 L323 L366 A512 C513	A318-L516 HydrophobicContact CB-CD1 3.66Å; A318-L516 HydrophobicContact CB-CD2 3.83Å; A318-L516 HydrophobicContact CB-CG 4.34Å; L323-L516 HydrophobicContact CB-CD1 4.34Å; L323-L516 HydrophobicContact CB-CD2 4.4Å; L323-L516 HydrophobicContact CD1-CD1 3.73Å; L323-L516 HydrophobicContact CD1-CD2 4.4Å; L323-L516 HydrophobicContact CD1-CG 3.73Å; L366-L516 HydrophobicContact CD1-CD1 3.91Å; A512-L516 PolarHBondContact O-N 3.42Å; A512-L516 VanDerWaalsContact O-N 3.13Å; C513-L516 PolarHBondContact O-N 2.93Å
517	H	78.1	Confident	65.6	Low	70 Å²	70	88.7 Å²	88.7	32%	0.324	44%	0.437	S	S	.	.	H	α-helix	trans	-84.4	-25.5	176	-67	-63.5	0	0	0	113.6	A368 C513 E514 K515 Q520	A368-H517 PolarHBondContact O-NE2 3.28Å; C513-H517 PolarHBondContact O-CD2 2.83Å; C513-H517 PolarHBondContact O-N 3.43Å; C513-H517 VanDerWaalsContact SG-CD2 3.5Å; E514-H517 PolarHBondContact O-N 2.93Å; K515-H517 VanDerWaalsContact C-N 3.28Å; K515-H517 PolarHBondContact O-N 3.47Å; H517-Q520 PolarHBondContact O-N 2.86Å
518	H	64.6	Low	62.6	Low	108 Å²	108	90.2 Å²	90.2	50%	0.5	45%	0.445	S	S	.	.	H	α-helix	trans	-66.6	-36.2	174.7	-129.4	-92.4	0	0	0	112.5	E514 K515 Q520 W521 E522	E514-H518 WeakPolarHBondContact O-CB 3.49Å; E514-H518 PolarHBondContact O-N 3.22Å; K515-H518 PolarHBondContact O-N 3.25Å; H518-Q520 PolarHBondContact O-N 3.11Å; H518-Q520 VanDerWaalsContact O-N 3.16Å; H518-W521 WeakPolarHBondContact O-CA 3.49Å; H518-W521 WeakPolarHBondContact O-CB 3.38Å; H518-W521 PolarHBondContact O-N 3.01Å; H518-E522 IonicContact CE1-OE1 3.81Å; H518-E522 IonicContact ND1-OE1 2.69Å; H518-E522 PolarHBondContact ND1-OE1 2.83Å; H518-E522 PolarHBondContact O-N 3.07Å
519	G	52.1	Low	59.4	Low	44 Å²	44	99.3 Å²	99.3	45%	0.454	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.7	173.1	0	0	0	0	0	113.7	K515 W521	K515-G519 PolarHBondContact O-N 3.49Å; G519-W521 VanDerWaalsContact C-N 3.32Å
520	Q	45.2	Very low	56.2	Low	42 Å²	42	106.6 Å²	106.6	20%	0.196	52%	0.516	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	3.6	174	-51.3	-163.6	15.4	0	0	113.7	H517 H518 R524 V554	H517-Q520 PolarHBondContact O-N 2.86Å; H518-Q520 PolarHBondContact O-N 3.11Å; H518-Q520 VanDerWaalsContact O-N 3.16Å; Q520-R524 PolarHBondContact O-NH1 2.74Å; Q520-V554 HydrophobicContact CG-CB 4.42Å; Q520-V554 HydrophobicContact CG-CG2 4.24Å; Q520-V554 PolarHBondContact NE2-O 3.36Å
521	W	32.3	Very low	53.2	Low	162 Å²	162	106 Å²	106	61%	0.614	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.3	-26.2	-173.8	-129.9	-57	0	0	0	114.1	H518 G519 R524	H518-W521 WeakPolarHBondContact O-CA 3.49Å; H518-W521 WeakPolarHBondContact O-CB 3.38Å; H518-W521 PolarHBondContact O-N 3.01Å; G519-W521 VanDerWaalsContact C-N 3.32Å; W521-R524 WeakPolarHBondContact O-CB 3.31Å; W521-R524 PolarHBondContact O-N 2.83Å
522	E	33.6	Very low	50.1	Low	124 Å²	124	109.7 Å²	109.7	58%	0.579	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-74.5	-30.5	-178.9	-66.7	-175.4	-173.6	0	0	112.6	H518 R524 L525	H518-E522 IonicContact CE1-OE1 3.81Å; H518-E522 IonicContact ND1-OE1 2.69Å; H518-E522 PolarHBondContact ND1-OE1 2.83Å; H518-E522 PolarHBondContact O-N 3.07Å; E522-R524 PolarHBondContact O-N 2.97Å; E522-L525 PolarHBondContact O-N 3.08Å
523	D	34.3	Very low	47.1	Very low	149 Å²	149	115.4 Å²	115.4	80%	0.797	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-58.2	-16.5	168.2	-100.3	-10.7	0	0	0	113.8
524	R	35.1	Very low	44.1	Very low	121 Å²	121	119.6 Å²	119.6	46%	0.457	62%	0.617	S	S	.	*	G	3₁₀ helix	trans	-92.5	1.1	-177.6	-71.8	176	156.4	137.9	-13.4	115	Q520 W521 E522 D551	Q520-R524 PolarHBondContact O-NH1 2.74Å; W521-R524 WeakPolarHBondContact O-CB 3.31Å; W521-R524 PolarHBondContact O-N 2.83Å; E522-R524 PolarHBondContact O-N 2.97Å; R524-D551 IonicContact CZ-OD2 2.73Å; R524-D551 IonicContact NE-OD2 3.38Å; R524-D551 IonicContact NH2-OD2 2.83Å; R524-D551 PolarHBondContact NH2-OD2 2.94Å
525	L	30.8	Very low	41.2	Very low	140 Å²	140	119.6 Å²	119.6	73%	0.733	63%	0.628	S	S	*	*	S	Bend	trans	-99.9	-6.4	-177.6	-69.5	178.5	0	0	0	115.3	E522 F527	E522-L525 PolarHBondContact O-N 3.08Å; L525-F527 PolarHBondContact O-N 2.57Å
526	F	29.2	Very low	38.4	Very low	190 Å²	190	119.6 Å²	119.6	83%	0.833	64%	0.64	S	S	*	*			trans	-95.4	59.5	178.8	-80	-80.5	0	0	0	114.3
527	F	29.4	Very low	35.9	Very low	185 Å²	185	123.8 Å²	123.8	81%	0.811	67%	0.671	S	S	*	*			trans	-126	128.2	160.2	-81.4	-80.7	0	0	0	111	L525	L525-F527 PolarHBondContact O-N 2.57Å
528	P	30.4	Very low	33.5	Very low	113 Å²	113	126.6 Å²	126.6	73%	0.734	70%	0.699	S	S	*	*			trans	-72	140.1	-177.3	29.3	-34.4	0	0	0	111.8	E530	P528-E530 PolarHBondContact O-N 2.9Å
529	K	27.2	Very low	31.9	Very low	206 Å²	206	127 Å²	127	90%	0.896	71%	0.714	S	S	*	*			trans	-78.1	103.4	168.4	-75.6	178.9	176.7	172	0	110.1
530	E	27	Very low	30.8	Very low	169 Å²	169	131.1 Å²	131.1	79%	0.79	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-60.6	151.5	160	-82.4	-65.1	123.7	0	0	110.8	P528	P528-E530 PolarHBondContact O-N 2.9Å
531	P	30.1	Very low	30.1	Very low	106 Å²	106	134.9 Å²	134.9	69%	0.688	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-85	155.7	-157	32.8	-35.6	0	0	0	114.6
532	S	27.2	Very low	29.9	Very low	125 Å²	125	133.1 Å²	133.1	87%	0.874	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-64.6	132.7	176.5	56.1	0	0	0	0	113.2
533	S	28.6	Very low	29.8	Very low	122 Å²	122	133 Å²	133	85%	0.853	79%	0.791	S	S	*	*			trans	-127.9	144.9	157.8	58.5	0	0	0	0	111.1
534	S	28.9	Very low	29.5	Very low	117 Å²	117	131.3 Å²	131.3	82%	0.818	79%	0.792	S	S	*	*			trans	-100.3	161.8	172.4	60.4	0	0	0	0	108.8
535	S	30.3	Very low	29.1	Very low	98 Å²	98	131.5 Å²	131.5	69%	0.685	81%	0.812	S	S	*	*			cis	-158.8	171.8	19	58.6	0	0	0	0	113.5
536	S	29.6	Very low	28.9	Very low	96 Å²	96	133.9 Å²	133.9	67%	0.671	82%	0.819	S	S	*	*			trans	61.8	97.7	145	58.7	0	0	0	0	121.2
537	S	29.9	Very low	28.7	Very low	112 Å²	112	129.5 Å²	129.5	78%	0.783	82%	0.818	S	S	*	*				54.7	118.1	127.4	64.5	0	0	0	0	122
538	S	28.6	Very low	28.6	Very low	129 Å²	129	128.2 Å²	128.2	90%	0.902	82%	0.818	S	S	*	*				-166.1	166.8	110.8	44.7	0	0	0	0	111.1
539	S	30.2	Very low	28.3	Very low	118 Å²	118	127.8 Å²	127.8	83%	0.825	82%	0.817	S	S	*	*			trans	-108.5	133.1	-168.2	56.4	0	0	0	0	114
540	S	28.1	Very low	28.3	Very low	130 Å²	130	122.7 Å²	122.7	91%	0.909	81%	0.808	S	S	*	*			trans	-156.9	159.4	152.2	56.4	0	0	0	0	110.9
541	S	31.6	Very low	28.3	Very low	120 Å²	120	118.9 Å²	118.9	84%	0.839	79%	0.793	S	S	*	*			trans	-104.2	137.9	-170.5	54.4	0	0	0	0	113.1
542	S	27.4	Very low	28.3	Very low	126 Å²	126	118.5 Å²	118.5	88%	0.881	79%	0.79	S	S	*	*			trans	-151.9	155.8	152.9	56.6	0	0	0	0	110.6
543	S	32.2	Very low	28.7	Very low	120 Å²	120	114.6 Å²	114.6	84%	0.839	77%	0.766	S	S	*	*			trans	-104.6	132.9	-172.8	52.4	0	0	0	0	112.1
544	S	26.8	Very low	29.2	Very low	115 Å²	115	111.5 Å²	111.5	80%	0.804	74%	0.742	S	S	*	*			trans	-146.5	142.9	159.7	55.2	0	0	0	0	110.4
545	S	27.6	Very low	30.1	Very low	125 Å²	125	108.2 Å²	108.2	87%	0.874	71%	0.712	S	S	*	*			trans	-74.4	127.2	-175.2	-51.5	0	0	0	0	111.1	A547	S545-A547 PolarHBondContact O-N 3.05Å
546	Q	26.9	Very low	30.6	Very low	189 Å²	189	107.1 Å²	107.1	88%	0.883	69%	0.693	S	S	*	*			trans	-75.5	114.8	173.4	-72.7	-177.9	-32.9	0	0	110.3
547	A	25.2	Very low	31.5	Very low	98 Å²	98	102.6 Å²	102.6	81%	0.81	66%	0.662	S	S	*	*			trans	-71	125.4	164.1	0	0	0	0	0	109	S545 S549	S545-A547 PolarHBondContact O-N 3.05Å; A547-S549 PolarHBondContact O-N 3.2Å; A547-S549 VanDerWaalsContact O-N 3.08Å
548	I	26.6	Very low	31.9	Very low	159 Å²	159	97.2 Å²	97.2	82%	0.815	62%	0.624	S	S	*	*			trans	-76.9	98	175.5	-60.2	175.9	0	0	0	108.1	S550	I548-S550 PolarHBondContact O-N 2.86Å
549	S	25.6	Very low	32.2	Very low	103 Å²	103	92.1 Å²	92.1	72%	0.72	59%	0.588	S	S	*	*			trans	-67.8	95.2	168.5	-173.3	0	0	0	0	109	A547 D551	A547-S549 PolarHBondContact O-N 3.2Å; A547-S549 VanDerWaalsContact O-N 3.08Å; S549-D551 PolarHBondContact O-N 3.49Å
550	S	26.8	Very low	32.9	Very low	99 Å²	99	86.8 Å²	86.8	69%	0.692	55%	0.55	S	S	*	.			trans	-81.7	104.5	166.7	49	0	0	0	0	108.7	I548	I548-S550 PolarHBondContact O-N 2.86Å
551	D	26.8	Very low	33.1	Very low	89 Å²	89	90.6 Å²	90.6	48%	0.476	54%	0.544	S	S	.	.			trans	-51.8	150.4	171	-63.7	-19.1	0	0	0	110.7	R524 S549 A553	R524-D551 IonicContact CZ-OD2 2.73Å; R524-D551 IonicContact NE-OD2 3.38Å; R524-D551 IonicContact NH2-OD2 2.83Å; R524-D551 PolarHBondContact NH2-OD2 2.94Å; S549-D551 PolarHBondContact O-N 3.49Å; D551-A553 PolarHBondContact O-N 3.26Å
552	P	30.3	Very low	33.1	Very low	99 Å²	99	86.1 Å²	86.1	64%	0.643	51%	0.512	S	S	*	.			trans	-66.4	106.7	175.3	28.5	-33.8	0	0	0	110.2
553	A	35.5	Very low	33.2	Very low	43 Å²	43	85.7 Å²	85.7	36%	0.355	50%	0.504	S	S	.	.			trans	-57	141.7	156.9	0	0	0	0	0	108.9	D551 F555	D551-A553 PolarHBondContact O-N 3.26Å; A553-F555 HydrophobicContact CB-CE2 3.79Å; A553-F555 HydrophobicContact CB-CZ 3.96Å; A553-F555 WeakPolarHBondContact O-CD2 3.46Å; A553-F555 WeakPolarHBondContact O-CE2 3.37Å
554	V	39.6	Very low	32.9	Very low	57 Å²	57	82.1 Å²	82.1	35%	0.345	48%	0.481	S	S	.	.			trans	-78.7	132.4	179.1	-171	0	0	0	0	108.7	Q520 W556	Q520-V554 HydrophobicContact CG-CB 4.42Å; Q520-V554 HydrophobicContact CG-CG2 4.24Å; Q520-V554 PolarHBondContact NE2-O 3.36Å; V554-W556 HydrophobicContact CG1-CZ2 4.26Å
555	F	47.1	Very low	33.1	Very low	47 Å²	47	82.1 Å²	82.1	21%	0.206	48%	0.476	C	S	.	.			trans	-126.6	153.9	176	-61.2	-87.3	0	0	0	109.8	I250 L315 K316 P317 A553	I250-F555 WeakPolarHBondContact CG2-O 3.31Å; L315-F555 HydrophobicContact CD1-CB 3.62Å; L315-F555 HydrophobicContact CD1-CG 4.36Å; L315-F555 HydrophobicContact CD2-CB 3.91Å; L315-F555 HydrophobicContact CD2-CD1 4Å; L315-F555 HydrophobicContact CD2-CD2 4.11Å; L315-F555 HydrophobicContact CD2-CG 3.75Å; L315-F555 HydrophobicContact CG-CB 3.73Å; L315-F555 HydrophobicContact CG-CD1 4.01Å; L315-F555 HydrophobicContact CG-CG 3.94Å; K316-F555 CarbonylContact O-C 3.56Å; K316-F555 WeakPolarHBondContact O-CB 3.32Å; P317-F555 HydrophobicContact CB-CD1 4.36Å; A553-F555 HydrophobicContact CB-CE2 3.79Å; A553-F555 HydrophobicContact CB-CZ 3.96Å; A553-F555 WeakPolarHBondContact O-CD2 3.46Å; A553-F555 WeakPolarHBondContact O-CE2 3.37Å
556	W	39.5	Very low	33	Very low	75 Å²	75	82.4 Å²	82.4	28%	0.284	47%	0.468	S	S	.	.	B	Isolated β-bridge	trans	-140.3	147	-166.2	-73.3	112.9	0	0	0	114.1	I250 K316 Q322 V554	I250-W556 HydrophobicContact CG2-CD2 4.24Å; I250-W556 HydrophobicContact CG2-CE3 3.57Å; I250-W556 HydrophobicContact CG2-CZ3 4.24Å; I250-W556 WeakPolarHBondContact O-CZ3 3.31Å; K316-W556 PolarHBondContact O-N 3.29Å; K316-W556 VanDerWaalsContact O-O 3.05Å; Q322-W556 VanDerWaalsContact NE2-CG 3.35Å; V554-W556 HydrophobicContact CG1-CZ2 4.26Å
557	V	49	Very low	33.2	Very low	1 Å²	1	82.1 Å²	82.1	1%	0.006	47%	0.467	C	S	.	.			trans	-135.4	165.5	169.4	-178.2	0	0	0	0	106.7	I250 V258 A271 M313 L365	I250-V557 HydrophobicContact CD1-CG2 4.45Å; V258-V557 HydrophobicContact CB-CB 4.48Å; V258-V557 HydrophobicContact CG1-CB 3.89Å; V258-V557 HydrophobicContact CG1-CG1 4.14Å; V258-V557 HydrophobicContact CG1-CG2 3.98Å; V258-V557 HydrophobicContact CG2-CG1 4.39Å; A271-V557 HydrophobicContact CB-CG2 3.53Å; M313-V557 HydrophobicContact SD-CG1 3.97Å; L365-V557 HydrophobicContact CD1-CG2 4.47Å
558	S	38.2	Very low	33.4	Very low	0 Å²	0	85.1 Å²	85.1	0%	0	47%	0.469	C	S	.	.			trans	-66.9	142.9	-162.3	57.2	0	0	0	0	116.7	Q251 D362 N363 C376 W560	Q251-S558 VanDerWaalsContact CG-O 3.29Å; Q251-S558 WeakPolarHBondContact CG-O 3.41Å; D362-S558 VanDerWaalsContact O-CA 3.25Å; D362-S558 WeakPolarHBondContact O-CA 3.43Å; D362-S558 WeakPolarHBondContact O-CB 3.19Å; N363-S558 WeakPolarHBondContact OD1-CB 3.4Å; N363-S558 PolarHBondContact OD1-OG 3.35Å; C376-S558 VanDerWaalsContact SG-CB 3.58Å; C376-S558 PolarHBondContact SG-OG 2.81Å; S558-W560 PolarHBondContact O-N 3.21Å; S558-W560 VanDerWaalsContact O-N 3.12Å; S558-W560 PolarHBondContact O-NE1 3.49Å; S558-W560 PolarHBondContact OG-NE1 2.89Å
559	P	36	Very low	33.6	Very low	21 Å²	21	83.8 Å²	83.8	14%	0.136	47%	0.468	C	S	.	.			trans	-63.9	97.5	165.8	-24.1	27.8	0	0	0	116.1	D362 R561	D362-P559 HydrophobicContact CB-CB 3.93Å; D362-P559 HydrophobicContact CB-CG 3.92Å; D362-P559 WeakPolarHBondContact OD1-CG 3.29Å; P559-R561 PolarHBondContact O-N 3.05Å
560	W	45.1	Very low	33.9	Very low	6 Å²	6	83.7 Å²	83.7	2%	0.023	47%	0.474	C	S	.	.			trans	-79.2	100.9	170.7	-47.4	71.3	0	0	0	110.7	G253 S254 Y255 K273 E284 D377 S558	G253-W560 WeakPolarHBondContact CA-O 3.35Å; S254-W560 PolarHBondContact N-O 3.28Å; S254-W560 PolarHBondContact OG-O 3.02Å; Y255-W560 HydrophobicContact CD2-CE3 4.2Å; K273-W560 HydrophobicContact CD-CH2 4Å; K273-W560 HydrophobicContact CD-CZ2 3.7Å; K273-W560 VanDerWaalsContact CE-CH2 3.48Å; E284-W560 WeakPolarHBondContact OE1-CH2 3.26Å; D377-W560 HydrophobicContact CB-CE3 4.42Å; D377-W560 HydrophobicContact CB-CH2 3.66Å; D377-W560 HydrophobicContact CB-CZ2 3.8Å; D377-W560 HydrophobicContact CB-CZ3 4.01Å; D377-W560 VanDerWaalsContact CG-CH2 3.41Å; D377-W560 VanDerWaalsContact OD1-CH2 3.24Å; D377-W560 WeakPolarHBondContact OD1-CH2 3.45Å; D377-W560 WeakPolarHBondContact OD1-CZ3 3.35Å; S558-W560 PolarHBondContact O-N 3.21Å; S558-W560 VanDerWaalsContact O-N 3.12Å; S558-W560 PolarHBondContact O-NE1 3.49Å; S558-W560 PolarHBondContact OG-NE1 2.89Å
561	R	31.6	Very low	34.1	Very low	211 Å²	211	85.7 Å²	85.7	80%	0.796	48%	0.477	S	S	*	.			trans	-133.4	104.6	159.2	-79.8	-166.5	-174	-114.1	1.1	110.8	P559	P559-R561 PolarHBondContact O-N 3.05Å
562	T	30.8	Very low	34.3	Very low	25 Å²	25	93.3 Å²	93.3	15%	0.153	50%	0.499	C	S	.	.			trans	-143.7	151.6	154.2	20.7	0	0	0	0	107.6	S254 G401 A564	S254-T562 WeakPolarHBondContact CB-O 3.42Å; S254-T562 PolarHBondContact OG-N 3.02Å; S254-T562 PolarHBondContact OG-O 3.26Å; G401-T562 VanDerWaalsContact C-CG2 3.48Å; G401-T562 WeakPolarHBondContact O-CG2 3.45Å; T562-A564 PolarHBondContact O-N 3.14Å
563	V	29.6	Very low	34.2	Very low	118 Å²	118	95 Å²	95	72%	0.715	51%	0.508	S	S	*	.			trans	-74.1	125.4	-164.9	-174.5	0	0	0	0	110.8	V565	V563-V565 HydrophobicContact CG1-CG2 4.09Å
564	A	25.5	Very low	33.9	Very low	44 Å²	44	96.4 Å²	96.4	36%	0.364	53%	0.527	S	S	.	.			trans	-95.4	145.4	157	0	0	0	0	0	108.6	Y255 T562	Y255-A564 HydrophobicContact CD1-CB 4.45Å; Y255-A564 HydrophobicContact CE1-CB 3.94Å; T562-A564 PolarHBondContact O-N 3.14Å
565	V	31.5	Very low	33.3	Very low	116 Å²	116	100.8 Å²	100.8	70%	0.703	55%	0.548	S	S	*	.			trans	-123	139.4	171.4	178.7	0	0	0	0	106.7	V563 E567	V563-V565 HydrophobicContact CG1-CG2 4.09Å; V565-E567 PolarHBondContact O-N 2.94Å
566	D	26.6	Very low	32.3	Very low	131 Å²	131	105.7 Å²	105.7	70%	0.701	58%	0.575	S	S	*	*			trans	-70.2	126.7	-178	-57.2	-69.8	0	0	0	111.8	D568	D566-D568 PolarHBondContact O-N 2.95Å
567	E	31.2	Very low	31.6	Very low	183 Å²	183	106.7 Å²	106.7	86%	0.855	60%	0.599	S	S	*	*			trans	-90.5	92.7	169.2	-72.1	-169.6	156.8	0	0	109.6	V565 T569	V565-E567 PolarHBondContact O-N 2.94Å; E567-T569 PolarHBondContact O-N 3.4Å
568	D	29.5	Very low	30.6	Very low	161 Å²	161	115.2 Å²	115.2	86%	0.861	64%	0.639	S	S	*	*			trans	-71	82	-179	-121.1	-13.7	0	0	0	111.7	D566 A570	D566-D568 PolarHBondContact O-N 2.95Å; D568-A570 VanDerWaalsContact C-N 3.3Å; D568-A570 PolarHBondContact O-N 3.46Å
569	T	30.7	Very low	30	Very low	130 Å²	130	120.6 Å²	120.6	80%	0.798	67%	0.672	S	S	*	*			trans	-74.2	82.2	172	57.8	0	0	0	0	110.7	E567 D571	E567-T569 PolarHBondContact O-N 3.4Å; T569-D571 PolarHBondContact O-N 2.8Å; T569-D571 VanDerWaalsContact O-N 3.07Å
570	A	31	Very low	29.5	Very low	102 Å²	102	125.7 Å²	125.7	84%	0.843	70%	0.698	S	S	*	*			trans	-74.3	93.3	178.7	0	0	0	0	0	112.1	D568	D568-A570 VanDerWaalsContact C-N 3.3Å; D568-A570 PolarHBondContact O-N 3.46Å
571	D	30.6	Very low	28.7	Very low	141 Å²	141	131.5 Å²	131.5	75%	0.754	73%	0.729	S	S	*	*			trans	-125.9	116.4	170	-150.2	-10.4	0	0	0	111.5	T569	T569-D571 PolarHBondContact O-N 2.8Å; T569-D571 VanDerWaalsContact O-N 3.07Å
572	R	31.1	Very low	28.3	Very low	248 Å²	248	131 Å²	131	94%	0.936	73%	0.727	S	S	*	*			trans	-147.1	102.7	171.9	-87.5	-161.6	173.9	-170.7	-0.5	110.7
573	T	29.5	Very low	28.1	Very low	135 Å²	135	136.1 Å²	136.1	83%	0.828	76%	0.758	S	S	*	*			trans	-76.4	140.5	171.4	52.6	0	0	0	0	112.5
574	G	27.2	Very low	28	Very low	73 Å²	73	133.9 Å²	133.9	75%	0.753	76%	0.759	S	S	*	*			trans	104.8	143.9	158.1	0	0	0	0	0	116.3
575	D	27.1	Very low	28.1	Very low	149 Å²	149	139.8 Å²	139.8	80%	0.797	78%	0.779	S	S	*	*			cis	-163.2	165.5	-11.9	-144.8	-16.9	0	0	0	112.3
576	I	27	Very low	27.9	Very low	149 Å²	149	144.2 Å²	144.2	76%	0.764	78%	0.783	S	S	*	*			trans	57	110.8	160.6	-57	155.2	0	0	0	118.2
577	A	25.3	Very low	27.8	Very low	97 Å²	97	143.9 Å²	143.9	80%	0.802	78%	0.782	S	S	*	*				-167.6	157.5	121.2	0	0	0	0	0	113.1
578	E	27.1	Very low	27.5	Very low	180 Å²	180	140.5 Å²	140.5	84%	0.841	78%	0.778	S	S	*	*			trans	-55.9	170.2	-178.8	-48.5	177.4	132.6	0	0	115.2
579	T	26.4	Very low	27.3	Very low	112 Å²	112	141.6 Å²	141.6	69%	0.687	78%	0.778	S	S	*	*			cis	-160.5	153.9	24.9	-22	0	0	0	0	113.6
580	D	26.2	Very low	28.4	Very low	128 Å²	128	140.3 Å²	140.3	68%	0.684	77%	0.772	S	S	*	*			trans	64.1	131.9	139.3	-104.1	-2.1	0	0	0	125.3
581	L	26.3	Very low	28.1	Very low	128 Å²	128	144.7 Å²	144.7	67%	0.67	77%	0.772	S	S	*	*			trans	66.8	137.9	143.8	-54.8	168.8	0	0	0	118.6
582	R	24.3	Very low	28	Very low	202 Å²	202	142.2 Å²	142.2	76%	0.762	77%	0.766	S	S	*	*			cis	-174.1	160.7	15.1	-126.2	174.1	-175.7	-170.1	2.5	113.9
583	T	27.5	Very low	27.9	Very low	132 Å²	132	137.4 Å²	137.4	81%	0.81	76%	0.758	S	S	*	*			trans	62.6	140.9	147.9	47.9	0	0	0	0	123.4
584	G	26.5	Very low	28	Very low	71 Å²	71	137.8 Å²	137.8	73%	0.732	75%	0.75	S	S	*	*			trans	92.4	88.9	157.3	0	0	0	0	0	114.5
585	E	26.9	Very low	28.3	Very low	167 Å²	167	139.6 Å²	139.6	78%	0.78	74%	0.742	S	S	*	*			cis	76.4	137.1	41.4	-151.3	-169.9	-114.9	0	0	113.9
586	W	28.4	Very low	28.4	Very low	209 Å²	209	138.9 Å²	138.9	79%	0.792	74%	0.738	S	S	*	*			trans	78.8	147.7	178.5	-60	70.9	0	0	0	118.6
587	N	25.2	Very low	28.7	Very low	125 Å²	125	141 Å²	141	67%	0.668	74%	0.738	S	S	*	*			cis	-171.8	150.5	-44	-113.1	-29.8	0	0	0	111.6
588	S	24.6	Very low	28.9	Very low	111 Å²	111	143 Å²	143	78%	0.776	74%	0.735	S	S	*	*			trans	66.5	118	149.8	-56.3	0	0	0	0	123.7
589	H	25.5	Very low	29.2	Very low	184 Å²	184	143 Å²	143	85%	0.852	74%	0.735	S	S	*	*			trans	-49.5	-178.4	143	-77.4	-41	0	0	0	115.7
590	P	52.1	Low	29.4	Very low	104 Å²	104	147.1 Å²	147.1	68%	0.675	75%	0.747	S	S	*	*			cis	-139.1	-154.7	-35.6	35.7	-13.9	0	0	0	113.1
591	K	25.8	Very low	29.7	Very low	193 Å²	193	148.1 Å²	148.1	84%	0.839	75%	0.751	S	S	*	*			trans	96.4	149.4	162.8	-63.3	-173.8	179.6	-177.8	0	117.6
592	S	28.4	Very low	29.8	Very low	90 Å²	90	151.4 Å²	151.4	63%	0.629	76%	0.764	S	S	*	*			cis	-177	173.4	-12.9	50.6	0	0	0	0	112.8
593	L	29	Very low	30.1	Very low	147 Å²	147	148.2 Å²	148.2	77%	0.77	77%	0.766	S	S	*	*			trans	89.4	136.7	162.6	-55.2	165.3	0	0	0	117.3
594	Q	30.3	Very low	30	Very low	143 Å²	143	145.8 Å²	145.8	67%	0.668	77%	0.768	S	S	*	*			cis	112.6	140.3	7.7	-175.7	179.8	-12.4	0	0	113.8
595	D	33.8	Very low	30.3	Very low	110 Å²	110	147.9 Å²	147.9	59%	0.588	77%	0.772	S	S	*	*			cis	-104.3	-117.1	1.9	-98.3	-54.2	0	0	0	112.6
596	D	29.4	Very low	30.5	Very low	134 Å²	134	149.2 Å²	149.2	72%	0.717	78%	0.778	S	S	*	*			cis	-160.4	115.8	4.6	-76.9	-85.4	0	0	0	114.8
597	Y	33.2	Very low	30.6	Very low	193 Å²	193	144.4 Å²	144.4	76%	0.757	78%	0.776	S	S	*	*			trans	63.7	146.8	143.4	-68.8	-82.2	0	0	0	129.5
598	D	29.7	Very low	30.8	Very low	139 Å²	139	147.5 Å²	147.5	74%	0.743	79%	0.787	S	S	*	*			trans	56.6	114.1	163.5	-52.4	-18.7	0	0	0	119.3
599	E	34.5	Very low	31.1	Very low	180 Å²	180	148.1 Å²	148.1	84%	0.841	79%	0.785	S	S	*	*			cis	72.1	110.5	43.3	-71.7	-157.8	179.1	0	0	117.3
600	E	29.3	Very low	31.2	Very low	199 Å²	199	146.1 Å²	146.1	93%	0.93	78%	0.781	S	S	*	*				-153.4	152.1	116.5	-125.5	173.9	-164.5	0	0	110.5
601	L	33.8	Very low	30.1	Very low	149 Å²	149	147.2 Å²	147.2	78%	0.78	78%	0.78	S	S	*	*			trans	-119.3	149.5	-176.1	-82.6	163.7	0	0	0	110.2
602	E	27.6	Very low	30.1	Very low	198 Å²	198	148.6 Å²	148.6	93%	0.925	78%	0.781	S	S	*	*			trans	-146.4	150	141.2	-133.9	171.8	-146.1	0	0	112
603	T	30.3	Very low	29.9	Very low	134 Å²	134	152.1 Å²	152.1	82%	0.822	79%	0.79	S	S	*	*			trans	-111.7	138.5	-167.1	45.3	0	0	0	0	112
604	G	26.2	Very low	29.8	Very low	82 Å²	82	149.3 Å²	149.3	85%	0.845	79%	0.788	S	S	*	*			trans	-145.1	82.7	-179.9	0	0	0	0	0	111.6
605	S	33.1	Very low	29.6	Very low	115 Å²	115	149.2 Å²	149.2	80%	0.804	80%	0.796	S	S	*	*			trans	-93.2	127.5	169.8	159.9	0	0	0	0	109.1
606	E	29.3	Very low	29.3	Very low	195 Å²	195	152.7 Å²	152.7	91%	0.911	81%	0.809	S	S	*	*			trans	-155.4	157	139	-120.4	158.1	-143.8	0	0	112
607	S	32.5	Very low	29.2	Very low	108 Å²	108	155.9 Å²	155.9	76%	0.755	82%	0.82	S	S	*	*			trans	-117.3	144.4	-172.9	57	0	0	0	0	110
608	E	28.8	Very low	28.9	Very low	190 Å²	190	155.1 Å²	155.1	89%	0.888	82%	0.823	S	S	*	*			trans	-142.4	142	149.9	-152.7	148.2	-137.4	0	0	111
609	V	30.5	Very low	28.6	Very low	123 Å²	123	154.6 Å²	154.6	75%	0.745	83%	0.829	S	S	*	*			trans	-119.1	132	172.7	170	0	0	0	0	104.9	I611	V609-I611 HydrophobicContact CG1-CG1 4.28Å
610	D	28.2	Very low	28.1	Very low	143 Å²	143	153 Å²	153	77%	0.765	82%	0.824	S	S	*	*			trans	-136.7	144.2	168.5	-143.7	-13.2	0	0	0	111.5
611	I	27.6	Very low	27.9	Very low	126 Å²	126	151.7 Å²	151.7	65%	0.646	82%	0.818	S	S	*	*			trans	-128.9	119.9	-167.5	-61.5	171.3	0	0	0	108.5	V609	V609-I611 HydrophobicContact CG1-CG1 4.28Å
612	Y	26	Very low	27.5	Very low	222 Å²	222	151.9 Å²	151.9	87%	0.871	82%	0.815	S	S	*	*			trans	-131.8	140.8	163.7	-90.5	-80.4	0	0	0	112.5
613	M	25.2	Very low	27.4	Very low	165 Å²	165	148.8 Å²	148.8	81%	0.813	80%	0.799	S	S	*	*			trans	-119.3	151.5	-170.2	-91.1	-86.1	-70	0	0	110.6
614	A	25.5	Very low	27.1	Very low	88 Å²	88	154.9 Å²	154.9	73%	0.727	81%	0.807	S	S	*	*			trans	66.5	160.7	169.9	0	0	0	0	0	115
615	V	26.6	Very low	27	Very low	140 Å²	140	157.1 Å²	157.1	85%	0.848	80%	0.799	S	S	*	*			cis	-132.1	153	12.4	-156.2	0	0	0	0	110.7
616	E	27.2	Very low	26.8	Very low	183 Å²	183	162.2 Å²	162.2	86%	0.855	80%	0.801	S	S	*	*			trans	-70.8	148.1	165.3	-56.7	168	127	0	0	110.8
617	E	28.2	Very low	26.6	Very low	201 Å²	201	158.9 Å²	158.9	94%	0.939	79%	0.793	S	S	*	*			trans	-155.5	150.3	149	-130	171	-142.9	0	0	110.9
618	E	26.3	Very low	26.4	Very low	177 Å²	177	159.2 Å²	159.2	83%	0.827	79%	0.787	S	S	*	*			trans	-85.2	159.7	-166.7	-55.6	172.7	112.3	0	0	113.4
619	C	24	Very low	26.4	Very low	129 Å²	129	157.4 Å²	157.4	87%	0.872	78%	0.776	S	S	*	*			trans	-146.2	89.1	161.2	-170.6	0	0	0	0	112
620	I	24.7	Very low	26.3	Very low	145 Å²	145	158 Å²	158	74%	0.744	78%	0.775	S	S	*	*			trans	-73.9	149.5	167.3	-69.2	177.9	0	0	0	110
621	Q	24.7	Very low	26.3	Very low	172 Å²	172	162.1 Å²	162.1	80%	0.804	78%	0.781	S	S	*	*			trans	-69.1	155.3	-177.5	-61.2	154.6	-90.4	0	0	113
622	E	25.4	Very low	26.4	Very low	153 Å²	153	165 Å²	165	72%	0.715	79%	0.792	S	S	*	*			trans	154.1	151.2	140.1	-78.8	-93.4	124	0	0	108.8
623	K	25.1	Very low	26.6	Very low	134 Å²	134	158 Å²	158	58%	0.583	79%	0.787	S	S	*	*			cis	-165.2	116.7	-27.9	167.9	-177.5	-81.3	142.3	0	105.4
624	W	23.6	Very low	26.8	Very low	262 Å²	262	157.7 Å²	157.7	99%	0.992	79%	0.789	S	S	*	*			trans	-70.5	138	177	-81.6	77	0	0	0	110.8
625	L	24.9	Very low	27.1	Very low	129 Å²	129	164.9 Å²	164.9	68%	0.675	80%	0.797	S	S	*	*			trans	-148.1	139	-173	-139	163.3	0	0	0	110.9
626	R	27.9	Very low	27.6	Very low	222 Å²	222	166.7 Å²	166.7	84%	0.838	80%	0.796	S	S	*	*			trans	83.4	129.3	-180	-50.2	-174.8	177.1	165.8	0.4	113.8
627	V	26.2	Very low	27.8	Very low	124 Å²	124	167.1 Å²	167.1	75%	0.752	80%	0.799	S	S	*	*			cis	74	121.6	31.9	-170.9	0	0	0	0	110
628	D	28.3	Very low	28	Very low	116 Å²	116	166.3 Å²	166.3	62%	0.62	80%	0.795	S	S	*	*			cis	-152.6	164.8	20.8	-141.1	1	0	0	0	113.8
629	K	27.8	Very low	28.3	Very low	152 Å²	152	166.4 Å²	166.4	66%	0.661	80%	0.801	S	S	*	*			trans	77	135	141.4	-83.5	178.5	176.6	98.5	0	126.6
630	D	28.5	Very low	28.6	Very low	135 Å²	135	169.5 Å²	169.5	72%	0.722	80%	0.802	S	S	*	*			trans	69.5	98	134.9	-54.2	-16	0	0	0	122.7
631	Y	28.7	Very low	29.2	Very low	230 Å²	230	171.2 Å²	171.2	90%	0.902	81%	0.808	S	S	*	*				-151.9	156.9	121	-143.4	-98.2	0	0	0	112.2
632	E	29.9	Very low	29.5	Very low	187 Å²	187	174.6 Å²	174.6	87%	0.874	81%	0.813	S	S	*	*			trans	-89.4	153.9	-178.4	-62.7	179.9	133.5	0	0	113.2
633	G	29.1	Very low	29.6	Very low	75 Å²	75	173.8 Å²	173.8	77%	0.773	81%	0.813	S	S	*	*			trans	165.6	97.4	167.9	0	0	0	0	0	113.8
634	D	30.5	Very low	29.9	Very low	158 Å²	158	172.8 Å²	172.8	85%	0.845	82%	0.824	S	S	*	*			trans	-64.9	132.3	157.6	-82.4	-41.9	0	0	0	109.1
635	W	32.4	Very low	30.3	Very low	239 Å²	239	166 Å²	166	91%	0.905	82%	0.816	S	S	*	*			trans	-156.1	163.2	134.2	-86.7	114.2	0	0	0	109.3
636	E	35.4	Very low	30.4	Very low	177 Å²	177	163.8 Å²	163.8	83%	0.827	82%	0.824	S	S	*	*			trans	-84.4	132.6	-171.9	-61.1	165.5	129.8	0	0	110.4
637	E	31.5	Very low	30.5	Very low	193 Å²	193	158.5 Å²	158.5	90%	0.902	82%	0.821	S	S	*	*			trans	-113.6	122.2	169.2	-72.9	-172.9	152.8	0	0	109.7
638	E	33.1	Very low	30.9	Very low	184 Å²	184	158.9 Å²	158.9	86%	0.86	82%	0.824	S	S	*	*			trans	-87.9	129.4	168.1	-61.7	-179.9	120.3	0	0	108	E640	E638-E640 PolarHBondContact O-N 2.82Å
639	D	32.5	Very low	30.9	Very low	178 Å²	178	161.7 Å²	161.7	95%	0.952	83%	0.833	S	S	*	*			trans	-71.1	91.2	178.7	-72.4	-59.4	0	0	0	110.6
640	E	30.2	Very low	30.9	Very low	194 Å²	194	163.4 Å²	163.4	91%	0.907	84%	0.837	S	S	*	*			trans	-108.8	157.1	163.4	-79.3	-154.4	158.5	0	0	113.1	E638	E638-E640 PolarHBondContact O-N 2.82Å
641	E	38.6	Very low	31.2	Very low	182 Å²	182	165.5 Å²	165.5	85%	0.85	85%	0.847	S	S	*	*			trans	-118.3	124.4	-156.6	170.8	179.5	-147.2	0	0	111.4
642	W	29.9	Very low	31.4	Very low	243 Å²	243	164.6 Å²	164.6	92%	0.92	84%	0.842	S	S	*	*			trans	-157.8	158.5	154	-140.4	-82.7	0	0	0	115.7
643	D	27.9	Very low	31.4	Very low	135 Å²	135	161 Å²	161	72%	0.722	83%	0.833	S	S	*	*			trans	-69.9	160.1	-173.8	-71.9	-63.3	0	0	0	119.5
644	S	31.1	Very low	31.5	Very low	114 Å²	114	164.5 Å²	164.5	80%	0.797	83%	0.833	S	S	*	*			trans	-40.8	130.8	160.2	-178.8	0	0	0	0	117.1
645	S	32.3	Very low	31.6	Very low	120 Å²	120	169.3 Å²	169.3	84%	0.839	84%	0.84	S	S	*	*				-177.8	152.4	127.9	49.4	0	0	0	0	112.2
646	G	26.7	Very low	31.6	Very low	81 Å²	81	160.9 Å²	160.9	84%	0.835	83%	0.827	S	S	*	*			trans	143.5	94.5	170.7	0	0	0	0	0	115.5
647	S	30	Very low	31.2	Very low	111 Å²	111	160.5 Å²	160.5	78%	0.776	83%	0.83	S	S	*	*			trans	-94.7	140.6	-172.9	-62.6	0	0	0	0	115.1
648	T	33.8	Very low	31.1	Very low	132 Å²	132	161.3 Å²	161.3	81%	0.81	83%	0.831	S	S	*	*			trans	57	82.4	143	56.5	0	0	0	0	120.3
649	E	29.2	Very low	30.9	Very low	175 Å²	175	157.6 Å²	157.6	82%	0.818	82%	0.822	S	S	*	*	S	Bend	trans	-140	1.3	146.9	-136.9	-179.7	172.4	0	0	117.1
650	Y	28.3	Very low	30.5	Very low	188 Å²	188	156.8 Å²	156.8	74%	0.737	82%	0.817	S	S	*	*	S	Bend	trans	-86.8	-22	-175.7	-147.8	-104.5	0	0	0	115.5	R652	Y650-R652 VanDerWaalsContact C-N 3.34Å; Y650-R652 PolarHBondContact O-N 2.82Å
651	L	34.5	Very low	30.4	Very low	180 Å²	180	154.8 Å²	154.8	94%	0.942	81%	0.812	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	20.7	-169.1	-66.5	176.9	0	0	0	115.5
652	R	32.7	Very low	29.8	Very low	211 Å²	211	157.5 Å²	157.5	80%	0.796	82%	0.815	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.9	-7.6	-176.2	-162.5	168.7	-77.2	133.4	-4.9	115	Y650	Y650-R652 VanDerWaalsContact C-N 3.34Å; Y650-R652 PolarHBondContact O-N 2.82Å
653	T	30.9	Very low	29.6	Very low	112 Å²	112	158 Å²	158	69%	0.687	82%	0.816	S	S	*	*	S	Bend	trans	-111.5	-13	-169.9	40.7	0	0	0	0	116.1
654	L	31.2	Very low	29.5	Very low	147 Å²	147	154.8 Å²	154.8	77%	0.77	82%	0.815	S	S	*	*			trans	-108.4	34.6	-175.8	-67.3	175.7	0	0	0	114.6
655	R	31	Very low	29.3	Very low	259 Å²	259	157.1 Å²	157.1	98%	0.977	82%	0.818	S	S	*	*			trans	-103.5	75.3	165	-108.5	-170.4	179.2	-170.2	2.2	111
656	G	32.7	Very low	29	Very low	62 Å²	62	160.3 Å²	160.3	64%	0.639	82%	0.819	S	S	*	*			trans	-176.6	159.1	173.8	0	0	0	0	0	112.7
657	L	27.1	Very low	29	Very low	169 Å²	169	160.2 Å²	160.2	89%	0.885	81%	0.811	S	S	*	*			trans	68.1	57.7	168.8	-51.2	178.6	0	0	0	117.7
658	F	29.4	Very low	28.8	Very low	211 Å²	211	162.6 Å²	162.6	93%	0.925	82%	0.815	S	S	*	*			trans	-125.5	121.9	145.9	-90.9	-69.8	0	0	0	110.8
659	P	29.8	Very low	28.5	Very low	105 Å²	105	165 Å²	165	68%	0.682	82%	0.817	S	S	*	*			trans	-127.1	112.1	160.5	20.3	1.1	0	0	0	113.9
660	L	23.8	Very low	28.4	Very low	162 Å²	162	161 Å²	161	85%	0.848	81%	0.814	S	S	*	*			trans	82.7	139.8	131.2	-58.2	170.9	0	0	0	122.4
661	L	27.2	Very low	29.1	Very low	152 Å²	152	156.8 Å²	156.8	80%	0.796	81%	0.81	S	S	*	*			trans	83.5	105.7	165.5	-53.9	171.5	0	0	0	115.9
662	R	26.1	Very low	28.6	Very low	239 Å²	239	160.2 Å²	160.2	90%	0.902	81%	0.81	S	S	*	*				67	117.8	54.2	-65.2	-173.8	168.6	-170.1	-2.8	115
663	R	26.1	Very low	28.3	Very low	252 Å²	252	153.3 Å²	153.3	95%	0.951	80%	0.804	S	S	*	*				150.1	142.5	104.5	-166.7	175.1	-164.9	173.6	2.6	113.7
664	G	25.1	Very low	28.3	Very low	68 Å²	68	154 Å²	154	70%	0.701	81%	0.814	S	S	*	*			trans	98.5	110.6	176.4	0	0	0	0	0	112.6
665	L	26.9	Very low	28.3	Very low	164 Å²	164	156 Å²	156	86%	0.859	82%	0.819	S	S	*	*			cis	90.1	131.6	11.2	-126.5	-180	0	0	0	115.7
666	Q	26.7	Very low	28.2	Very low	186 Å²	186	153 Å²	153	87%	0.869	82%	0.816	S	S	*	*			trans	73.4	149.5	-174.1	-57.9	-176.5	-65.2	0	0	113.9
667	A	26.5	Very low	28.1	Very low	79 Å²	79	158.2 Å²	158.2	65%	0.653	82%	0.824	S	S	*	*			cis	169.9	166.2	-10.3	0	0	0	0	0	104.7
668	D	25.9	Very low	28.4	Very low	162 Å²	162	158.9 Å²	158.9	87%	0.866	83%	0.828	S	S	*	*			cis	-146.3	-161.3	7	-100.1	-37	0	0	0	109.6
669	E	28.5	Very low	28.4	Very low	182 Å²	182	156.6 Å²	156.6	85%	0.85	82%	0.82	S	S	*	*			trans	-91.1	141.4	-163.8	-53.7	-174.3	141.1	0	0	118.6
670	A	26.2	Very low	28.3	Very low	91 Å²	91	161.3 Å²	161.3	75%	0.752	83%	0.825	S	S	*	*			trans	64.8	-170.8	130.9	0	0	0	0	0	120.1
671	P	42.1	Very low	28.8	Very low	100 Å²	100	162.1 Å²	162.1	65%	0.649	83%	0.829	S	S	*	*				-134.2	-176.7	-98.1	38.9	-19.4	0	0	0	118
672	W	25.3	Very low	28.9	Very low	252 Å²	252	165.5 Å²	165.5	96%	0.955	83%	0.832	S	S	*	*			trans	84.8	142.4	170.4	-52.2	102.1	0	0	0	119.5
673	G	25.5	Very low	29	Very low	65 Å²	65	160.8 Å²	160.8	67%	0.67	82%	0.824	S	S	*	*			trans	137.4	111.7	148.2	0	0	0	0	0	119
674	S	30.6	Very low	29.3	Very low	127 Å²	127	156.2 Å²	156.2	89%	0.888	82%	0.819	S	S	*	*			trans	51	140.7	145.5	49.4	0	0	0	0	123.6
675	E	32.3	Very low	29.7	Very low	189 Å²	189	158.4 Å²	158.4	88%	0.883	82%	0.818	S	S	*	*			trans	-74.1	150	156.1	-60.9	171.2	102.8	0	0	111.4
676	E	28.8	Very low	30.2	Very low	195 Å²	195	156.7 Å²	156.7	91%	0.911	82%	0.817	S	S	*	*			trans	-165	-179.1	139.6	-120.3	170.6	-161.4	0	0	111.5
677	E	30.5	Very low	30.5	Very low	173 Å²	173	154.1 Å²	154.1	81%	0.808	81%	0.814	S	S	*	*			trans	66.7	75.1	175.8	-59.1	-162.3	149.2	0	0	118.6	E679	E677-E679 PolarHBondContact O-N 3.45Å
678	L	32.8	Very low	30.6	Very low	183 Å²	183	153.9 Å²	153.9	96%	0.958	82%	0.819	S	S	*	*			trans	-74.9	89.4	142.8	-97.2	172.2	0	0	0	109.8
679	E	29.2	Very low	30.8	Very low	163 Å²	163	152 Å²	152	76%	0.762	81%	0.814	S	S	*	*			trans	-151.3	177.8	159.6	-124.1	169.8	-142.8	0	0	111.4	E677	E677-E679 PolarHBondContact O-N 3.45Å
680	Y	28.8	Very low	30.8	Very low	204 Å²	204	149.2 Å²	149.2	80%	0.8	81%	0.809	S	S	*	*			trans	61.8	86.1	-171.3	-54.6	-84	0	0	0	116.4
681	L	34.6	Very low	30.9	Very low	178 Å²	178	150.5 Å²	150.5	93%	0.932	81%	0.808	S	S	*	*				-174.4	93.9	111.9	-97.5	166.5	0	0	0	110.3
682	R	29.3	Very low	30.1	Very low	223 Å²	223	154.5 Å²	154.5	84%	0.842	82%	0.818	S	S	*	*			trans	-145.2	142.2	166.8	-170.8	178.6	-66.9	-165.5	1.7	107.7
683	D	28.5	Very low	30.4	Very low	140 Å²	140	148.9 Å²	148.9	75%	0.749	81%	0.811	S	S	*	*			trans	65.2	135.5	-172.6	-46.9	-33.3	0	0	0	112.1
684	D	31.3	Very low	30.6	Very low	156 Å²	156	151.9 Å²	151.9	83%	0.834	82%	0.819	S	S	*	*			cis	-145.1	164.4	36.3	-136.8	-25.8	0	0	0	113.6
685	V	33.2	Very low	30.4	Very low	115 Å²	115	151.2 Å²	151.2	70%	0.697	81%	0.814	S	S	*	*			trans	-133.2	125.1	-178	174.2	0	0	0	0	112.7
686	P	37.7	Very low	30.8	Very low	127 Å²	127	147.5 Å²	147.5	83%	0.825	81%	0.807	S	S	*	*			trans	-78.8	123.2	167.4	-11.8	28.7	0	0	0	112
687	V	33.2	Very low	30.8	Very low	132 Å²	132	147 Å²	147	80%	0.8	80%	0.804	S	S	*	*			trans	-81.3	135.7	179.6	173.5	0	0	0	0	112.2
688	G	28.8	Very low	31.6	Very low	75 Å²	75	143.7 Å²	143.7	77%	0.773	80%	0.798	S	S	*	*			trans	-144.5	90.8	173.8	0	0	0	0	0	113
689	T	29.7	Very low	31.4	Very low	122 Å²	122	145.2 Å²	145.2	75%	0.748	79%	0.791	S	S	*	*			trans	-61.6	152	177.5	-1.9	0	0	0	0	111.6
690	T	28.5	Very low	31.5	Very low	123 Å²	123	143.8 Å²	143.8	76%	0.755	79%	0.788	S	S	*	*			cis	-170.7	171.4	48.3	-34.6	0	0	0	0	113
691	V	27.4	Very low	31.5	Very low	119 Å²	119	143.3 Å²	143.3	72%	0.721	79%	0.793	S	S	*	*			trans	100.2	81.3	157.9	-162.3	0	0	0	0	118.8
692	Q	27.3	Very low	32.3	Very low	184 Å²	184	139.9 Å²	139.9	86%	0.86	78%	0.782	S	S	*	*				48.8	122	123.6	-63.9	178.5	-13	0	0	122.1
693	T	30.2	Very low	32.5	Very low	133 Å²	133	135.5 Å²	135.5	82%	0.816	78%	0.782	S	S	*	*			trans	-84.8	174	153.5	53	0	0	0	0	111.9
694	P	30.3	Very low	32.5	Very low	128 Å²	128	133.8 Å²	133.8	83%	0.831	78%	0.781	S	S	*	*			trans	-128.9	169	136.2	36.9	-28.2	0	0	0	114.6
695	S	26.7	Very low	32.4	Very low	113 Å²	113	131.5 Å²	131.5	79%	0.79	78%	0.776	S	S	*	*			trans	-83.5	158.7	-172.3	-171.3	0	0	0	0	114.1
696	P	39.9	Very low	32.2	Very low	112 Å²	112	136.2 Å²	136.2	73%	0.727	79%	0.788	S	S	*	*			trans	-83.3	179.7	174.5	34.8	-38.9	0	0	0	115.3
697	E	29.5	Very low	31.8	Very low	184 Å²	184	135 Å²	135	86%	0.86	78%	0.782	S	S	*	*			trans	78.5	153.1	173.5	-68.7	-164.6	178.4	0	0	119.1
698	P	46.5	Very low	31.5	Very low	103 Å²	103	134 Å²	134	67%	0.669	78%	0.78	S	S	*	*			cis	-131.3	171.6	-20.9	29.9	-10.4	0	0	0	114.4
699	R	28.1	Very low	31.5	Very low	215 Å²	215	135 Å²	135	81%	0.811	78%	0.775	S	S	*	*				150.1	150.4	129.6	-86.3	-170	-179	-173.8	-0.6	120
700	D	31.1	Very low	31.4	Very low	133 Å²	133	135.7 Å²	135.7	71%	0.711	77%	0.774	S	S	*	*			trans	63.4	97.8	144.9	-52	-10	0	0	0	123.4
701	E	30.7	Very low	31.6	Very low	194 Å²	194	135.9 Å²	135.9	91%	0.907	78%	0.775	S	S	*	*				39.4	161.1	129.7	-79.3	-156.5	178.9	0	0	126.2
702	P	49.9	Very low	31.7	Very low	107 Å²	107	134.6 Å²	134.6	70%	0.695	77%	0.771	S	S	*	*			trans	-115.4	-178.5	-153.8	44.5	-36.6	0	0	0	116.4
703	P	34.6	Very low	32	Very low	130 Å²	130	133.7 Å²	133.7	84%	0.844	77%	0.767	S	S	*	*			trans	-121.9	171.8	151.4	38.7	-28.3	0	0	0	113.4
704	S	28.9	Very low	32.2	Very low	105 Å²	105	134 Å²	134	73%	0.734	76%	0.762	S	S	*	*			trans	-132.8	166.3	-165.3	55.3	0	0	0	0	115.9
705	C	28.4	Very low	32.2	Very low	107 Å²	107	134.2 Å²	134.2	72%	0.723	76%	0.756	S	S	*	*			trans	51.9	123.4	152.7	63.6	0	0	0	0	122.6
706	F	28.1	Very low	32.7	Very low	215 Å²	215	137.5 Å²	137.5	94%	0.943	76%	0.759	S	S	*	*			trans	-150.7	169.9	138.8	-95	-68.7	0	0	0	109.6
707	S	29.2	Very low	32.2	Very low	100 Å²	100	139 Å²	139	70%	0.699	76%	0.761	S	S	*	*				-157.4	-179.5	-105.1	-163.8	0	0	0	0	110.8
708	C	27.6	Very low	32.6	Very low	113 Å²	113	134.7 Å²	134.7	76%	0.764	75%	0.751	S	S	*	*			trans	73.1	148.7	163.2	-58.4	0	0	0	0	117.9
709	S	29.6	Very low	32	Very low	95 Å²	95	137.8 Å²	137.8	66%	0.664	76%	0.757	S	S	*	*			cis	-173.1	179.7	-23.3	-105.7	0	0	0	0	110.8
710	D	27.7	Very low	32.5	Very low	136 Å²	136	134.3 Å²	134.3	73%	0.727	75%	0.75	S	S	*	*			trans	83.3	104.5	158.7	-61.3	-43.1	0	0	0	117.5
711	T	31	Very low	32.5	Very low	127 Å²	127	132.1 Å²	132.1	78%	0.779	74%	0.744	S	S	*	*				83.5	140.5	64.7	65.4	0	0	0	0	112.2
712	S	31.4	Very low	32.8	Very low	92 Å²	92	126.6 Å²	126.6	64%	0.643	73%	0.727	S	S	*	*			cis	-163.8	147.7	43.4	58.9	0	0	0	0	116
713	H	32.4	Very low	32.2	Very low	166 Å²	166	128.5 Å²	128.5	77%	0.769	73%	0.732	S	S	*	*			trans	56.3	158.7	139.7	-70.3	-56.4	0	0	0	120.4
714	I	33.8	Very low	32.2	Very low	139 Å²	139	128.4 Å²	128.4	71%	0.713	72%	0.724	S	S	*	*			cis	-158.4	146.8	9.2	-115.6	148.5	0	0	0	104.1
715	D	31.7	Very low	32.1	Very low	132 Å²	132	130 Å²	130	71%	0.706	72%	0.723	S	S	*	*			cis	-157	-155	-4.5	-95.7	-5.1	0	0	0	109.5
716	E	36.3	Very low	32.2	Very low	182 Å²	182	129.9 Å²	129.9	85%	0.85	72%	0.724	S	S	*	*			trans	-82.5	167.6	-168.8	-48.9	174.8	117.4	0	0	114.9
717	D	30	Very low	32.4	Very low	144 Å²	144	125.1 Å²	125.1	77%	0.77	72%	0.717	S	S	*	*				-162.5	155.8	79.9	-139.9	-32.2	0	0	0	115.6
718	S	36.8	Very low	32.2	Very low	94 Å²	94	123.6 Å²	123.6	66%	0.657	72%	0.717	S	S	*	*			trans	-23.3	160.8	170.3	52.4	0	0	0	0	121.2
719	E	34.1	Very low	32.2	Very low	167 Å²	167	124.2 Å²	124.2	78%	0.78	72%	0.718	S	S	*	*			cis	-159.5	178.5	10.8	-132.6	-173.5	167.6	0	0	109.4
720	H	38.2	Very low	32	Very low	143 Å²	143	129.1 Å²	129.1	66%	0.662	73%	0.727	S	S	*	*			cis	-159	171.4	1.9	-168.8	81.7	0	0	0	109.3
721	S	32.7	Very low	32	Very low	86 Å²	86	127.9 Å²	127.9	60%	0.601	73%	0.729	S	S	*	*			trans	52	101.7	165.2	-98.7	0	0	0	0	119.9
722	S	36.4	Very low	31.7	Very low	78 Å²	78	128 Å²	128	55%	0.545	74%	0.735	S	S	.	*				79.2	106.7	69	76.1	0	0	0	0	114.3
723	D	36.9	Very low	31.3	Very low	147 Å²	147	129 Å²	129	79%	0.786	74%	0.741	S	S	*	*				89	136.6	85.4	-61.6	-17.6	0	0	0	111.6
724	D	34.8	Very low	31	Very low	128 Å²	128	128.3 Å²	128.3	68%	0.684	74%	0.743	S	S	*	*			cis	-159	160.7	-4.7	-137.3	-4.7	0	0	0	114.4
725	L	28	Very low	30.8	Very low	138 Å²	138	127.6 Å²	127.6	72%	0.723	75%	0.75	S	S	*	*			trans	42.3	128.3	145.5	-75.1	170.8	0	0	0	124.5
726	S	30.5	Very low	30.6	Very low	106 Å²	106	130.5 Å²	130.5	74%	0.741	76%	0.759	S	S	*	*				76.6	148.7	121.5	-165.6	0	0	0	0	119.4
727	S	31.3	Very low	30.2	Very low	114 Å²	114	127.4 Å²	127.4	80%	0.797	76%	0.758	S	S	*	*			cis	-152.2	173.9	-11.1	36.9	0	0	0	0	109.1
728	G	25	Very low	30.1	Very low	68 Å²	68	124.9 Å²	124.9	70%	0.701	77%	0.766	S	S	*	*				129.1	165.6	103.5	0	0	0	0	0	111.5
729	V	27.7	Very low	29.5	Very low	127 Å²	127	124.1 Å²	124.1	77%	0.77	77%	0.772	S	S	*	*			trans	-138.7	157.4	-167	-161.6	0	0	0	0	112.3
730	F	25.8	Very low	29.1	Very low	198 Å²	198	125 Å²	125	87%	0.868	78%	0.777	S	S	*	*			trans	99	148.4	160.6	-72	-70.6	0	0	0	120.8
731	S	26.6	Very low	28.5	Very low	109 Å²	109	125.4 Å²	125.4	76%	0.762	78%	0.783	S	S	*	*			trans	-93.4	161.9	-166.8	-30.8	0	0	0	0	113.5
732	S	25	Very low	28.2	Very low	130 Å²	130	127.4 Å²	127.4	91%	0.909	79%	0.791	S	S	*	*			trans	-163.7	167.7	144.8	-86.7	0	0	0	0	111.3
733	C	23.8	Very low	27.6	Very low	112 Å²	112	134.9 Å²	134.9	76%	0.757	81%	0.807	S	S	*	*			trans	-127.8	170.8	-159.2	58.3	0	0	0	0	115.6
734	N	26	Very low	27	Very low	152 Å²	152	134.8 Å²	134.8	81%	0.813	81%	0.805	S	S	*	*			trans	69.1	118.2	164.1	-68.5	-8	0	0	0	120.3
735	S	29	Very low	26.6	Very low	124 Å²	124	134.3 Å²	134.3	87%	0.867	81%	0.809	S	S	*	*				-173	162.4	101.4	38.2	0	0	0	0	112.4
736	H	26.9	Very low	26.4	Very low	193 Å²	193	132.7 Å²	132.7	89%	0.894	81%	0.809	S	S	*	*			trans	-90	149	-174.1	-60.9	-93.6	0	0	0	113.6
737	S	29.6	Very low	26.3	Very low	118 Å²	118	132.9 Å²	132.9	83%	0.825	82%	0.817	S	S	*	*				-175.2	118.6	115	60.6	0	0	0	0	115
738	G	26.2	Very low	26.2	Very low	91 Å²	91	133.5 Å²	133.5	94%	0.938	81%	0.812	S	S	*	*			trans	54.8	116.9	143.2	0	0	0	0	0	122.2
739	G	25.1	Very low	26.4	Very low	77 Å²	77	138.1 Å²	138.1	79%	0.794	82%	0.815	S	S	*	*			trans	164.8	90	159.7	0	0	0	0	0	118.1
740	Q	25.3	Very low	26.4	Very low	187 Å²	187	140.6 Å²	140.6	87%	0.874	82%	0.822	S	S	*	*			trans	56.8	88.7	142.4	-163.1	163.8	-9.2	0	0	121.2
741	L	27.1	Very low	26.4	Very low	150 Å²	150	135.2 Å²	135.2	79%	0.785	81%	0.809	S	S	*	*			trans	33.7	100.8	135.3	-79.4	160.4	0	0	0	120.2
742	V	25.7	Very low	26.7	Very low	128 Å²	128	135.7 Å²	135.7	78%	0.776	81%	0.81	S	S	*	*			trans	-137.4	138.3	137.5	179.4	0	0	0	0	107.5	I744	V742-I744 HydrophobicContact CG1-CG1 4.3Å
743	W	23.4	Very low	27.3	Very low	235 Å²	235	141.6 Å²	141.6	89%	0.89	81%	0.812	S	S	*	*			trans	-83.6	127.1	170.9	-78.2	83.6	0	0	0	110
744	I	24.3	Very low	28	Very low	145 Å²	145	141 Å²	141	74%	0.744	81%	0.808	S	S	*	*			trans	-131.3	125.4	168.4	-56	178.9	0	0	0	106.4	V742	V742-I744 HydrophobicContact CG1-CG1 4.3Å
745	P	26.5	Very low	28.8	Very low	118 Å²	118	139.5 Å²	139.5	77%	0.766	80%	0.795	S	S	*	*			trans	-71.5	149.7	175.8	30.4	-34.2	0	0	0	111.2
746	S	24.8	Very low	30	Very low	104 Å²	104	140 Å²	140	73%	0.727	78%	0.783	S	S	*	*			trans	-60.2	133.6	-179.1	-54.6	0	0	0	0	112.7	D748	S746-D748 PolarHBondContact O-N 2.73Å
747	A	28.2	Very low	32.3	Very low	110 Å²	110	131.2 Å²	131.2	91%	0.909	74%	0.744	S	S	*	*			trans	-91.9	84.6	160.7	0	0	0	0	0	108.4
748	D	29.3	Very low	34.7	Very low	127 Å²	127	125.7 Å²	125.7	68%	0.679	71%	0.706	S	S	*	*			trans	-83.4	164.4	176.9	-105.3	-59	0	0	0	112.3	S746	S746-D748 PolarHBondContact O-N 2.73Å
749	Q	28.9	Very low	37.4	Very low	166 Å²	166	122.8 Å²	122.8	78%	0.776	67%	0.669	S	S	*	*			trans	58.9	108.6	163.6	-64.6	169.3	32	0	0	117.9	S751	Q749-S751 PolarHBondContact O-N 3.47Å
750	I	26.3	Very low	40.4	Very low	178 Å²	178	119.1 Å²	119.1	91%	0.913	63%	0.631	S	S	*	*			trans	-76.1	98.8	158.7	-60.8	173.5	0	0	0	107.7
751	S	25.7	Very low	43.4	Very low	86 Å²	86	113.1 Å²	113.1	60%	0.601	60%	0.601	S	S	*	*			trans	-60.1	143.8	179.1	-56.9	0	0	0	0	112.6	Q749	Q749-S751 PolarHBondContact O-N 3.47Å
752	P	34.1	Very low	46.5	Very low	118 Å²	118	106 Å²	106	77%	0.766	56%	0.563	S	S	*	*			trans	-61.5	148.6	165	29.1	-34.4	0	0	0	109.5	C754	P752-C754 VanDerWaalsContact C-N 3.31Å; P752-C754 PolarHBondContact O-N 3.15Å
753	R	37.8	Very low	49.5	Very low	255 Å²	255	101.7 Å²	101.7	96%	0.962	53%	0.534	S	S	*	.			trans	-68.7	81.7	-174.7	-73.2	-178	173.5	170.7	-3.4	112.6
754	C	38	Very low	52.4	Low	99 Å²	99	91 Å²	91	67%	0.669	50%	0.495	S	S	*	.			trans	-63.8	159.9	159.1	55.9	0	0	0	0	110.9	P752 E756	P752-C754 VanDerWaalsContact C-N 3.31Å; P752-C754 PolarHBondContact O-N 3.15Å; C754-E756 PolarHBondContact O-N 3.35Å; C754-E756 VanDerWaalsContact O-N 3.1Å
755	F	43.4	Very low	55.2	Low	121 Å²	121	86.9 Å²	86.9	53%	0.531	47%	0.474	S	S	.	.			trans	-49	115	178.2	-177.3	-94.6	0	0	0	111.6	G757 K773 R775	F755-G757 PolarHBondContact O-N 2.87Å; F755-K773 HydrophobicContact CD1-CD 4.4Å; F755-K773 HydrophobicContact CD1-CG 4.41Å; F755-K773 WeakPolarHBondContact O-CE 3.33Å; F755-R775 HydrophobicContact CZ-CG 3.88Å
756	E	54.3	Low	57.7	Low	134 Å²	134	88.5 Å²	88.5	63%	0.626	47%	0.471	S	S	*	.			trans	-81.5	51.6	-171	-153.4	-176.7	161	0	0	112.4	C754 R776	C754-E756 PolarHBondContact O-N 3.35Å; C754-E756 VanDerWaalsContact O-N 3.1Å; E756-R776 VanDerWaalsContact CD-NH1 3.3Å; E756-R776 IonicContact OE1-CZ 3.36Å; E756-R776 IonicContact OE1-NH1 3.17Å; E756-R776 PolarHBondContact OE1-NH1 3.14Å; E756-R776 IonicContact OE1-NH2 3.53Å; E756-R776 PolarHBondContact OE1-NH2 2.87Å
757	G	74.1	Confident	60.2	Low	8 Å²	8	85.7 Å²	85.7	8%	0.082	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-99.3	165.1	179.2	0	0	0	0	0	114	F755 K773 E774	F755-G757 PolarHBondContact O-N 2.87Å; G757-K773 PolarHBondContact O-NZ 3.45Å; G757-E774 CarbonylContact C-O 3.59Å; G757-E774 VanDerWaalsContact C-O 3.27Å; G757-E774 WeakPolarHBondContact CA-O 3.39Å
758	V	79.8	Confident	62.6	Low	2 Å²	2	83.7 Å²	83.7	1%	0.012	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	137.1	174.1	-67.2	0	0	0	0	111.2	I760 K773 E774 R776 V778 I812 S815	V758-I760 HydrophobicContact CG2-CD1 3.86Å; V758-I760 HydrophobicContact CG2-CG1 4.02Å; V758-K773 WeakPolarHBondContact O-CA 3.46Å; V758-E774 PolarHBondContact N-O 3.47Å; V758-E774 PolarHBondContact O-N 2.99Å; V758-R776 HydrophobicContact CG1-CG 3.93Å; V758-V778 HydrophobicContact CG2-CG1 4.34Å; V758-I812 HydrophobicContact CB-CG2 4.2Å; V758-I812 HydrophobicContact CG1-CG2 4.37Å; V758-I812 HydrophobicContact CG2-CB 4.44Å; V758-I812 HydrophobicContact CG2-CG2 3.86Å; V758-S815 WeakPolarHBondContact CA-OG 3.5Å
759	D	83.3	Confident	65.1	Low	30 Å²	30	78.8 Å²	78.8	16%	0.16	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	120.3	169.3	-80.1	30.7	0	0	0	109	R771 K773 S815 G816	D759-R771 IonicContact OD2-CZ 3.4Å; D759-R771 IonicContact OD2-NE 2.67Å; D759-R771 IonicContact OD2-NH1 3.45Å; D759-R771 PolarHBondContact OD2-NH1 3.05Å; D759-K773 IonicContact OD1-NZ 2.75Å; D759-K773 PolarHBondContact OD1-NZ 2.94Å; D759-S815 PolarHBondContact N-OG 2.88Å; D759-G816 PolarHBondContact O-N 3.43Å
760	I	89.1	Confident	67.4	Low	0 Å²	0	71.7 Å²	71.7	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.1	-178.8	-57.4	159.4	0	0	0	108.7	V758 I762 R771 I772 E774 V778 V783 I812 F819	V758-I760 HydrophobicContact CG2-CD1 3.86Å; V758-I760 HydrophobicContact CG2-CG1 4.02Å; I760-I762 HydrophobicContact CG2-CG1 4.48Å; I760-R771 WeakPolarHBondContact O-CA 2.87Å; I760-I772 HydrophobicContact CB-CD1 4.29Å; I760-I772 HydrophobicContact CB-CG1 3.76Å; I760-I772 HydrophobicContact CD1-CD1 4.31Å; I760-I772 HydrophobicContact CD1-CG1 4.41Å; I760-I772 HydrophobicContact CG2-CD1 4.49Å; I760-I772 HydrophobicContact CG2-CG1 4.32Å; I760-I772 PolarHBondContact N-O 3.23Å; I760-I772 PolarHBondContact O-N 2.91Å; I760-E774 HydrophobicContact CD1-CB 4.25Å; I760-V778 HydrophobicContact CD1-CG1 3.99Å; I760-V783 HydrophobicContact CD1-CG2 4.03Å; I760-I812 HydrophobicContact CD1-CD1 3.49Å; I760-I812 VanDerWaalsContact CD1-CD1 3.49Å; I760-I812 HydrophobicContact CD1-CG2 4.26Å; I760-I812 HydrophobicContact CG1-CD1 4.03Å; I760-I812 HydrophobicContact CG1-CG2 4.13Å; I760-F819 HydrophobicContact CG2-CD2 3.74Å; I760-F819 HydrophobicContact CG2-CE2 3.79Å
761	W	88.4	Confident	70.2	Confident	62 Å²	62	66.8 Å²	66.8	24%	0.235	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	138.2	178.3	-60.7	80.8	0	0	0	110.7	W66 R771 S817 W818 F819	W66-W761 HydrophobicContact CZ2-CZ3 4.24Å; W761-R771 HydrophobicContact CD2-CB 4.18Å; W761-R771 HydrophobicContact CD2-CG 4.22Å; W761-R771 HydrophobicContact CE3-CB 3.94Å; W761-R771 HydrophobicContact CE3-CG 4.47Å; W761-R771 HydrophobicContact CH2-CB 4.43Å; W761-R771 HydrophobicContact CZ2-CG 4.44Å; W761-R771 HydrophobicContact CZ3-CB 4.07Å; W761-S817 PolarHBondContact N-O 3.03Å; W761-W818 HydrophobicContact CB-CD2 4.04Å; W761-W818 HydrophobicContact CB-CG 3.83Å; W761-W818 AromaticContact CD1-CD1 3.57Å; W761-W818 AromaticContact CD1-NE1 3.37Å; W761-W818 AromaticContact CD2-NE1 3.92Å; W761-W818 AromaticContact CG-CD1 3.65Å; W761-W818 AromaticContact CG-CE2 3.99Å; W761-W818 HydrophobicContact CG-CG 4.4Å; W761-W818 AromaticContact CG-NE1 3.31Å; W761-W818 VanDerWaalsContact CG-NE1 3.31Å; W761-W818 AromaticContact NE1-NE1 3.96Å; W761-W818 WeakPolarHBondContact O-CA 3.49Å; W761-F819 PolarHBondContact O-N 3.4Å
762	I	90.3	Very high	73	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	124.4	-180	-65.3	152.8	0	0	0	109.2	I760 C769 F770 I772 V783 I787 F819	I760-I762 HydrophobicContact CG2-CG1 4.48Å; I762-C769 WeakPolarHBondContact O-CA 3.44Å; I762-F770 HydrophobicContact CB-CD2 4.26Å; I762-F770 HydrophobicContact CB-CE1 4.11Å; I762-F770 HydrophobicContact CB-CE2 3.78Å; I762-F770 HydrophobicContact CB-CZ 3.71Å; I762-F770 HydrophobicContact CD1-CE2 3.7Å; I762-F770 HydrophobicContact CD1-CZ 4.1Å; I762-F770 HydrophobicContact CG1-CE2 4.37Å; I762-F770 HydrophobicContact CG2-CE1 3.79Å; I762-F770 HydrophobicContact CG2-CE2 4.12Å; I762-F770 HydrophobicContact CG2-CZ 3.51Å; I762-F770 PolarHBondContact N-O 3.21Å; I762-F770 PolarHBondContact O-N 2.87Å; I762-I772 HydrophobicContact CD1-CD1 3.88Å; I762-I772 HydrophobicContact CD1-CG1 4.29Å; I762-I772 HydrophobicContact CD1-CG2 4.19Å; I762-V783 HydrophobicContact CD1-CG1 4.02Å; I762-I787 HydrophobicContact CD1-CD1 3.69Å; I762-I787 HydrophobicContact CD1-CG2 3.85Å; I762-I787 HydrophobicContact CG1-CD1 4.43Å; I762-I787 HydrophobicContact CG2-CD1 4.16Å; I762-F819 WeakPolarHBondContact CA-O 3.43Å
763	E	88.9	Confident	75.3	Confident	37 Å²	37	60.8 Å²	60.8	17%	0.173	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	119.7	166.9	-174.5	-175.1	143.6	0	0	108.6	F819 R820 C821	E763-F819 PolarHBondContact N-O 2.86Å; E763-R820 HydrophobicContact CB-CB 4.26Å; E763-R820 HydrophobicContact CB-CG 4.3Å; E763-R820 HydrophobicContact CG-CG 4.37Å; E763-R820 WeakPolarHBondContact O-CA 3.32Å; E763-R820 IonicContact OE1-CZ 2.78Å; E763-R820 IonicContact OE1-NE 2.66Å; E763-R820 PolarHBondContact OE1-NE 3.19Å; E763-R820 IonicContact OE1-NH2 3.13Å; E763-R820 PolarHBondContact OE1-NH2 2.93Å; E763-R820 IonicContact OE2-CZ 3.55Å; E763-R820 VanDerWaalsContact OE2-CZ 3.27Å; E763-R820 IonicContact OE2-NE 2.76Å; E763-R820 PolarHBondContact OE2-NE 2.96Å; E763-R820 IonicContact OE2-NH2 3.17Å; E763-R820 PolarHBondContact OE2-NH2 3.36Å; E763-C821 PolarHBondContact O-N 2.66Å
764	D	85.8	Confident	77.6	Confident	11 Å²	11	50.2 Å²	50.2	6%	0.059	25%	0.254	C	S	.	.			trans	-73.1	-178.3	177.1	99.1	-40.9	0	0	0	112.3	Q766 G767 K768 F770 I791	D764-Q766 VanDerWaalsContact CG-N 3.31Å; D764-Q766 PolarHBondContact O-N 2.97Å; D764-Q766 VanDerWaalsContact OD1-CA 3.31Å; D764-Q766 WeakPolarHBondContact OD1-CA 3.15Å; D764-Q766 WeakPolarHBondContact OD1-CB 3.14Å; D764-Q766 PolarHBondContact OD1-N 2.94Å; D764-Q766 PolarHBondContact OD2-N 2.92Å; D764-Q766 PolarHBondContact OD2-NE2 2.76Å; D764-G767 PolarHBondContact O-N 3.44Å; D764-G767 PolarHBondContact OD1-N 2.88Å; D764-K768 PolarHBondContact N-O 3.27Å; D764-K768 WeakPolarHBondContact OD1-CB 3.34Å; D764-K768 PolarHBondContact OD1-N 3.46Å; D764-F770 HydrophobicContact CB-CE1 4.31Å; D764-I791 HydrophobicContact CB-CD1 3.99Å
765	L	82.9	Confident	79.6	Confident	58 Å²	58	53.8 Å²	53.8	30%	0.304	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-8.2	-179.9	-70.2	169.9	0	0	0	115	I791 A793 F796 C821 P823	L765-I791 HydrophobicContact CD1-CG2 4Å; L765-I791 HydrophobicContact CG-CG2 4.43Å; L765-A793 HydrophobicContact CD1-CB 3.24Å; L765-F796 HydrophobicContact CD1-CB 4.49Å; L765-C821 HydrophobicContact CD2-CB 4.19Å; L765-C821 WeakPolarHBondContact CD2-O 3.27Å; L765-C821 HydrophobicContact CG-CB 3.98Å; L765-P823 VanDerWaalsContact CD2-CD 3.44Å; L765-P823 HydrophobicContact CD2-CG 3.7Å
766	Q	79.4	Confident	81.2	Confident	153 Å²	153	54.1 Å²	54.1	72%	0.715	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-5.6	178	-56	176.4	83.7	0	0	111.7	D764 S792	D764-Q766 VanDerWaalsContact CG-N 3.31Å; D764-Q766 PolarHBondContact O-N 2.97Å; D764-Q766 VanDerWaalsContact OD1-CA 3.31Å; D764-Q766 WeakPolarHBondContact OD1-CA 3.15Å; D764-Q766 WeakPolarHBondContact OD1-CB 3.14Å; D764-Q766 PolarHBondContact OD1-N 2.94Å; D764-Q766 PolarHBondContact OD2-N 2.92Å; D764-Q766 PolarHBondContact OD2-NE2 2.76Å; Q766-S792 PolarHBondContact NE2-OG 2.81Å
767	G	75.9	Confident	82.5	Confident	44 Å²	44	54.3 Å²	54.3	45%	0.454	25%	0.252	S	S	.	.	S	Bend	trans	88.2	12	-175.7	0	0	0	0	0	114.3	D764	D764-G767 PolarHBondContact O-N 3.44Å; D764-G767 PolarHBondContact OD1-N 2.88Å
768	K	79.6	Confident	83	Confident	68 Å²	68	54.9 Å²	54.9	30%	0.296	25%	0.254	S	S	.	.			trans	-79.7	118.5	173.6	-170.3	172.8	-169	169.3	0	109.4	E63 D65 D764	E63-K768 WeakPolarHBondContact OE1-CE 3.28Å; E63-K768 IonicContact OE1-NZ 2.67Å; E63-K768 PolarHBondContact OE1-NZ 2.9Å; D65-K768 WeakPolarHBondContact OD1-CE 3.41Å; D65-K768 IonicContact OD1-NZ 2.7Å; D65-K768 PolarHBondContact OD1-NZ 2.92Å; D764-K768 PolarHBondContact N-O 3.27Å; D764-K768 WeakPolarHBondContact OD1-CB 3.34Å; D764-K768 PolarHBondContact OD1-N 3.46Å
769	C	80.7	Confident	83.5	Confident	24 Å²	24	57.6 Å²	57.6	16%	0.162	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	120.7	176.8	-64	0	0	0	0	111.5	W66 I762	W66-C769 PolarHBondContact NE1-O 3.28Å; I762-C769 WeakPolarHBondContact O-CA 3.44Å
770	F	78.6	Confident	83.8	Confident	17 Å²	17	56.2 Å²	56.2	8%	0.075	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	162.9	171.1	60.8	-92.7	0	0	0	111.2	V61 I762 D764 I772 I787 I791	V61-F770 HydrophobicContact CG1-CB 4.35Å; V61-F770 HydrophobicContact CG1-CD2 3.48Å; V61-F770 VanDerWaalsContact CG1-CD2 3.48Å; V61-F770 HydrophobicContact CG1-CE2 3.95Å; V61-F770 HydrophobicContact CG1-CG 4.12Å; I762-F770 HydrophobicContact CB-CD2 4.26Å; I762-F770 HydrophobicContact CB-CE1 4.11Å; I762-F770 HydrophobicContact CB-CE2 3.78Å; I762-F770 HydrophobicContact CB-CZ 3.71Å; I762-F770 HydrophobicContact CD1-CE2 3.7Å; I762-F770 HydrophobicContact CD1-CZ 4.1Å; I762-F770 HydrophobicContact CG1-CE2 4.37Å; I762-F770 HydrophobicContact CG2-CE1 3.79Å; I762-F770 HydrophobicContact CG2-CE2 4.12Å; I762-F770 HydrophobicContact CG2-CZ 3.51Å; I762-F770 PolarHBondContact N-O 3.21Å; I762-F770 PolarHBondContact O-N 2.87Å; D764-F770 HydrophobicContact CB-CE1 4.31Å; F770-I772 HydrophobicContact CD2-CG2 3.84Å; F770-I772 HydrophobicContact CE2-CG2 3.8Å; F770-I787 HydrophobicContact CE2-CG2 4.16Å; F770-I787 HydrophobicContact CZ-CB 4.44Å; F770-I787 HydrophobicContact CZ-CG2 4.44Å; F770-I791 HydrophobicContact CE1-CD1 3.78Å; F770-I791 HydrophobicContact CZ-CD1 3.86Å
771	R	85	Confident	83.6	Confident	76 Å²	76	56.3 Å²	56.3	29%	0.287	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135.4	177.8	-174.5	-178.5	60.3	163.7	-9.8	110.2	Q62 D759 I760 W761	Q62-R771 PolarHBondContact N-O 2.81Å; Q62-R771 PolarHBondContact O-N 2.95Å; D759-R771 IonicContact OD2-CZ 3.4Å; D759-R771 IonicContact OD2-NE 2.67Å; D759-R771 IonicContact OD2-NH1 3.45Å; D759-R771 PolarHBondContact OD2-NH1 3.05Å; I760-R771 WeakPolarHBondContact O-CA 2.87Å; W761-R771 HydrophobicContact CD2-CB 4.18Å; W761-R771 HydrophobicContact CD2-CG 4.22Å; W761-R771 HydrophobicContact CE3-CB 3.94Å; W761-R771 HydrophobicContact CE3-CG 4.47Å; W761-R771 HydrophobicContact CH2-CB 4.43Å; W761-R771 HydrophobicContact CZ2-CG 4.44Å; W761-R771 HydrophobicContact CZ3-CB 4.07Å
772	I	84.1	Confident	83.4	Confident	4 Å²	4	57 Å²	57	2%	0.021	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	155.4	170.5	74.2	172.4	0	0	0	109.1	V61 I760 I762 F770 V783 I787	V61-I772 HydrophobicContact CB-CG2 4.29Å; V61-I772 HydrophobicContact CG1-CG2 4.17Å; V61-I772 HydrophobicContact CG2-CG2 3.69Å; I760-I772 HydrophobicContact CB-CD1 4.29Å; I760-I772 HydrophobicContact CB-CG1 3.76Å; I760-I772 HydrophobicContact CD1-CD1 4.31Å; I760-I772 HydrophobicContact CD1-CG1 4.41Å; I760-I772 HydrophobicContact CG2-CD1 4.49Å; I760-I772 HydrophobicContact CG2-CG1 4.32Å; I760-I772 PolarHBondContact N-O 3.23Å; I760-I772 PolarHBondContact O-N 2.91Å; I762-I772 HydrophobicContact CD1-CD1 3.88Å; I762-I772 HydrophobicContact CD1-CG1 4.29Å; I762-I772 HydrophobicContact CD1-CG2 4.19Å; F770-I772 HydrophobicContact CD2-CG2 3.84Å; F770-I772 HydrophobicContact CE2-CG2 3.8Å; I772-V783 HydrophobicContact CD1-CG1 3.64Å; I772-V783 HydrophobicContact CD1-CG2 4.39Å; I772-I787 HydrophobicContact CD1-CG2 4.44Å; I772-I787 HydrophobicContact CG2-CG2 4.43Å
773	K	82.3	Confident	83.3	Confident	74 Å²	74	57.2 Å²	57.2	32%	0.322	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	121.8	172.6	-170.1	178.1	-175.6	78.9	0	109.7	F755 G757 V758 D759	F755-K773 HydrophobicContact CD1-CD 4.4Å; F755-K773 HydrophobicContact CD1-CG 4.41Å; F755-K773 WeakPolarHBondContact O-CE 3.33Å; G757-K773 PolarHBondContact O-NZ 3.45Å; V758-K773 WeakPolarHBondContact O-CA 3.46Å; D759-K773 IonicContact OD1-NZ 2.75Å; D759-K773 PolarHBondContact OD1-NZ 2.94Å
774	E	84.9	Confident	83.2	Confident	33 Å²	33	55.4 Å²	55.4	15%	0.154	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	167.3	-168.2	-169.3	46.3	-97.9	0	0	110.8	G757 V758 I760 V778	G757-E774 CarbonylContact C-O 3.59Å; G757-E774 VanDerWaalsContact C-O 3.27Å; G757-E774 WeakPolarHBondContact CA-O 3.39Å; V758-E774 PolarHBondContact N-O 3.47Å; V758-E774 PolarHBondContact O-N 2.99Å; I760-E774 HydrophobicContact CD1-CB 4.25Å; E774-V778 HydrophobicContact CB-CG1 4.15Å; E774-V778 HydrophobicContact CG-CB 3.81Å; E774-V778 HydrophobicContact CG-CG1 3.71Å; E774-V778 HydrophobicContact CG-CG2 3.7Å
775	R	80.2	Confident	83.2	Confident	173 Å²	173	57 Å²	57	65%	0.653	27%	0.266	S	S	*	.			trans	-60.8	147.5	178.3	-60.3	177.1	-164.5	-158	3.2	111.2	F755 V778	F755-R775 HydrophobicContact CZ-CG 3.88Å; R775-V778 WeakPolarHBondContact O-CB 3.45Å; R775-V778 WeakPolarHBondContact O-CG1 3.43Å; R775-V778 PolarHBondContact O-N 2.79Å
776	R	78.6	Confident	83.1	Confident	129 Å²	129	55 Å²	55	49%	0.487	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	150.1	164.6	-74.2	-178.2	180	138.8	6.2	110	E756 V758 V778	E756-R776 VanDerWaalsContact CD-NH1 3.3Å; E756-R776 IonicContact OE1-CZ 3.36Å; E756-R776 IonicContact OE1-NH1 3.17Å; E756-R776 PolarHBondContact OE1-NH1 3.14Å; E756-R776 IonicContact OE1-NH2 3.53Å; E756-R776 PolarHBondContact OE1-NH2 2.87Å; V758-R776 HydrophobicContact CG1-CG 3.93Å; R776-V778 PolarHBondContact O-N 2.88Å
777	E	81.9	Confident	83.3	Confident	138 Å²	138	47.7 Å²	47.7	65%	0.645	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.3	18.5	179.2	-57.2	165.9	-178.5	0	0	113.1	I812	E777-I812 PolarHBondContact N-O 3.07Å
778	V	84.5	Confident	83.8	Confident	19 Å²	19	46.4 Å²	46.4	12%	0.115	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	136.2	171.5	69.1	0	0	0	0	111.1	V758 I760 E774 R775 R776 H782 V783 E811 I812	V758-V778 HydrophobicContact CG2-CG1 4.34Å; I760-V778 HydrophobicContact CD1-CG1 3.99Å; E774-V778 HydrophobicContact CB-CG1 4.15Å; E774-V778 HydrophobicContact CG-CB 3.81Å; E774-V778 HydrophobicContact CG-CG1 3.71Å; E774-V778 HydrophobicContact CG-CG2 3.7Å; R775-V778 WeakPolarHBondContact O-CB 3.45Å; R775-V778 WeakPolarHBondContact O-CG1 3.43Å; R775-V778 PolarHBondContact O-N 2.79Å; R776-V778 PolarHBondContact O-N 2.88Å; V778-H782 HydrophobicContact CG2-CB 4.21Å; V778-V783 HydrophobicContact CG1-CG2 3.94Å; V778-V783 HydrophobicContact CG2-CG2 4.02Å; V778-E811 WeakPolarHBondContact O-CA 3.49Å; V778-I812 HydrophobicContact CG1-CB 4.17Å; V778-I812 HydrophobicContact CG1-CD1 4.22Å; V778-I812 PolarHBondContact O-N 3.37Å
779	K	89.9	Confident	83.7	Confident	59 Å²	59	50.4 Å²	50.4	26%	0.257	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	137.8	176.7	-67.6	-172.2	169.5	-160.1	0	112.2	G781 H782 V783 E810 E811	K779-G781 PolarHBondContact O-N 3.46Å; K779-G781 VanDerWaalsContact O-N 3.16Å; K779-H782 WeakPolarHBondContact O-CB 3.22Å; K779-H782 PolarHBondContact O-N 2.75Å; K779-V783 PolarHBondContact O-N 2.83Å; K779-V783 VanDerWaalsContact O-N 3.1Å; K779-E810 CarbonylContact C-O 3.31Å; K779-E810 VanDerWaalsContact CA-O 3.32Å; K779-E810 WeakPolarHBondContact CA-O 3.43Å; K779-E811 HydrophobicContact CD-CG 4.39Å; K779-E811 WeakPolarHBondContact CE-OE1 3.4Å; K779-E811 HydrophobicContact CG-CG 3.65Å; K779-E811 IonicContact NZ-OE1 3.42Å; K779-E811 PolarHBondContact NZ-OE1 3.06Å
780	V	88.1	Confident	83.5	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.006	25%	0.246	C	C	.	.	H	α-helix	trans	-54.3	-34.4	176.8	170.6	0	0	0	0	112.3	V783 A784 L798 V806 E810 I812 F819 W833	V780-V783 PolarHBondContact O-N 2.7Å; V780-A784 WeakPolarHBondContact O-CB 3.46Å; V780-A784 PolarHBondContact O-N 3.07Å; V780-L798 HydrophobicContact CG1-CB 4.39Å; V780-L798 HydrophobicContact CG1-CD1 3.93Å; V780-V806 HydrophobicContact CB-CG1 4.19Å; V780-V806 HydrophobicContact CG1-CB 4.32Å; V780-V806 HydrophobicContact CG1-CG1 3.86Å; V780-V806 HydrophobicContact CG2-CG1 3.8Å; V780-E810 HydrophobicContact CG2-CB 4.13Å; V780-E810 WeakPolarHBondContact CG2-O 3.37Å; V780-E810 PolarHBondContact N-O 2.77Å; V780-I812 HydrophobicContact CG2-CD1 3.96Å; V780-I812 HydrophobicContact CG2-CG1 4.03Å; V780-F819 HydrophobicContact CG2-CE1 4.22Å; V780-F819 HydrophobicContact CG2-CE2 4.36Å; V780-F819 HydrophobicContact CG2-CZ 3.76Å; V780-W833 HydrophobicContact CG1-CH2 3.99Å; V780-W833 HydrophobicContact CG1-CZ2 3.93Å
781	G	86.6	Confident	83.5	Confident	2 Å²	2	53.2 Å²	53.2	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-64.5	-38.7	173.5	0	0	0	0	0	113.8	K779 A784 I785 F808	K779-G781 PolarHBondContact O-N 3.46Å; K779-G781 VanDerWaalsContact O-N 3.16Å; G781-A784 PolarHBondContact O-N 3.25Å; G781-I785 WeakPolarHBondContact O-CD1 3.28Å; G781-I785 VanDerWaalsContact O-CG1 3.28Å; G781-I785 WeakPolarHBondContact O-CG1 3.28Å; G781-I785 PolarHBondContact O-N 3.45Å; G781-F808 WeakPolarHBondContact CA-O 3.39Å; G781-F808 PolarHBondContact N-O 2.82Å
782	H	84.2	Confident	83	Confident	78 Å²	78	54.1 Å²	54.1	36%	0.361	26%	0.263	S	S	.	.	H	α-helix	trans	-69.5	-37.8	175	-63.1	148.1	0	0	0	111.7	I56 V778 K779 I785 G786	I56-H782 HydrophobicContact CD1-CB 4.13Å; V778-H782 HydrophobicContact CG2-CB 4.21Å; K779-H782 WeakPolarHBondContact O-CB 3.22Å; K779-H782 PolarHBondContact O-N 2.75Å; H782-I785 PolarHBondContact O-N 2.92Å; H782-G786 PolarHBondContact O-N 2.7Å
783	V	87.3	Confident	82.7	Confident	3 Å²	3	55.4 Å²	55.4	2%	0.018	27%	0.274	C	S	.	.	H	α-helix	trans	-59.5	-47.9	171.4	170.7	0	0	0	0	110.6	I760 I762 I772 V778 K779 V780 I785 G786 I787 I812	I760-V783 HydrophobicContact CD1-CG2 4.03Å; I762-V783 HydrophobicContact CD1-CG1 4.02Å; I772-V783 HydrophobicContact CD1-CG1 3.64Å; I772-V783 HydrophobicContact CD1-CG2 4.39Å; V778-V783 HydrophobicContact CG1-CG2 3.94Å; V778-V783 HydrophobicContact CG2-CG2 4.02Å; K779-V783 PolarHBondContact O-N 2.83Å; K779-V783 VanDerWaalsContact O-N 3.1Å; V780-V783 PolarHBondContact O-N 2.7Å; V783-I785 PolarHBondContact O-N 3.07Å; V783-G786 PolarHBondContact O-N 2.67Å; V783-I787 WeakPolarHBondContact O-CG1 3.38Å; V783-I787 PolarHBondContact O-N 2.77Å; V783-I787 VanDerWaalsContact O-N 3.14Å; V783-I812 HydrophobicContact CG2-CD1 4.25Å
784	A	87	Confident	82.4	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-64	-38	179.8	0	0	0	0	0	113.3	V780 G781 I787 F796 L798 W833 V835	V780-A784 WeakPolarHBondContact O-CB 3.46Å; V780-A784 PolarHBondContact O-N 3.07Å; G781-A784 PolarHBondContact O-N 3.25Å; A784-I787 WeakPolarHBondContact O-CG1 3.35Å; A784-F796 WeakPolarHBondContact O-CZ 3.4Å; A784-L798 HydrophobicContact CB-CD1 3.81Å; A784-L798 HydrophobicContact CB-CG 4.15Å; A784-W833 HydrophobicContact CB-CH2 3.88Å; A784-W833 HydrophobicContact CB-CZ3 3.68Å; A784-V835 HydrophobicContact CB-CG2 3.68Å
785	I	85.1	Confident	82.5	Confident	44 Å²	44	59.5 Å²	59.5	23%	0.226	29%	0.294	C	S	.	.	H	α-helix	trans	-63.7	-51.1	171.5	-67.7	160.3	0	0	0	109.5	G781 H782 V783 I787 S788 V835 L840	G781-I785 WeakPolarHBondContact O-CD1 3.28Å; G781-I785 VanDerWaalsContact O-CG1 3.28Å; G781-I785 WeakPolarHBondContact O-CG1 3.28Å; G781-I785 PolarHBondContact O-N 3.45Å; H782-I785 PolarHBondContact O-N 2.92Å; V783-I785 PolarHBondContact O-N 3.07Å; I785-I787 VanDerWaalsContact C-N 3.27Å; I785-I787 PolarHBondContact O-N 3.28Å; I785-S788 VanDerWaalsContact O-CB 3.31Å; I785-S788 WeakPolarHBondContact O-CB 3.48Å; I785-S788 PolarHBondContact O-N 2.79Å; I785-S788 PolarHBondContact O-OG 3.33Å; I785-V835 HydrophobicContact CG1-CG2 4.29Å; I785-L840 HydrophobicContact CD1-CB 4.05Å; I785-L840 HydrophobicContact CG1-CB 4.27Å
786	G	81.3	Confident	83	Confident	16 Å²	16	51.3 Å²	51.3	17%	0.165	26%	0.263	C	S	.	.	H	α-helix	trans	-61.5	-31.6	-172.4	0	0	0	0	0	114.9	H782 V783	H782-G786 PolarHBondContact O-N 2.7Å; V783-G786 PolarHBondContact O-N 2.67Å
787	I	84.7	Confident	83.7	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-3.4	177.7	68.1	-174.6	0	0	0	113.6	L59 I762 F770 I772 V783 A784 I785 D789 Q790 I791 F796 L798	L59-I787 HydrophobicContact CD2-CG2 3.63Å; I762-I787 HydrophobicContact CD1-CD1 3.69Å; I762-I787 HydrophobicContact CD1-CG2 3.85Å; I762-I787 HydrophobicContact CG1-CD1 4.43Å; I762-I787 HydrophobicContact CG2-CD1 4.16Å; F770-I787 HydrophobicContact CE2-CG2 4.16Å; F770-I787 HydrophobicContact CZ-CB 4.44Å; F770-I787 HydrophobicContact CZ-CG2 4.44Å; I772-I787 HydrophobicContact CD1-CG2 4.44Å; I772-I787 HydrophobicContact CG2-CG2 4.43Å; V783-I787 WeakPolarHBondContact O-CG1 3.38Å; V783-I787 PolarHBondContact O-N 2.77Å; V783-I787 VanDerWaalsContact O-N 3.14Å; A784-I787 WeakPolarHBondContact O-CG1 3.35Å; I785-I787 VanDerWaalsContact C-N 3.27Å; I785-I787 PolarHBondContact O-N 3.28Å; I787-D789 VanDerWaalsContact C-N 3.3Å; I787-D789 PolarHBondContact O-N 2.91Å; I787-Q790 WeakPolarHBondContact O-CA 3.24Å; I787-Q790 WeakPolarHBondContact O-CB 3.46Å; I787-Q790 PolarHBondContact O-N 2.89Å; I787-I791 HydrophobicContact CD1-CG1 4.3Å; I787-I791 HydrophobicContact CG1-CG1 4.14Å; I787-I791 PolarHBondContact O-N 3.04Å; I787-F796 HydrophobicContact CD1-CE2 4.17Å; I787-F796 HydrophobicContact CD1-CZ 4.39Å; I787-F796 HydrophobicContact CG1-CE2 4.29Å; I787-F796 HydrophobicContact CG1-CZ 4.01Å; I787-L798 HydrophobicContact CD1-CD2 4.46Å
788	S	85.6	Confident	84.2	Confident	17 Å²	17	39.2 Å²	39.2	12%	0.119	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-63.7	-33.8	-165.4	66.6	0	0	0	0	114	I785 Q790 I791 G838	I785-S788 VanDerWaalsContact O-CB 3.31Å; I785-S788 WeakPolarHBondContact O-CB 3.48Å; I785-S788 PolarHBondContact O-N 2.79Å; I785-S788 PolarHBondContact O-OG 3.33Å; S788-Q790 PolarHBondContact O-N 2.94Å; S788-I791 PolarHBondContact O-N 2.96Å; S788-G838 WeakPolarHBondContact OG-CA 3.47Å
789	D	77.2	Confident	84.5	Confident	152 Å²	152	38.9 Å²	38.9	81%	0.813	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-70.3	-10.4	177	-59.2	-33.4	0	0	0	112.9	I787	I787-D789 VanDerWaalsContact C-N 3.3Å; I787-D789 PolarHBondContact O-N 2.91Å
790	Q	76.8	Confident	84.4	Confident	91 Å²	91	37.6 Å²	37.6	43%	0.425	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-110.5	-11.7	-175.4	-50.5	-176	34.8	0	0	112.5	V61 I787 S788	V61-Q790 VanDerWaalsContact CG1-OE1 3.28Å; V61-Q790 VanDerWaalsContact CG2-NE2 3.34Å; I787-Q790 WeakPolarHBondContact O-CA 3.24Å; I787-Q790 WeakPolarHBondContact O-CB 3.46Å; I787-Q790 PolarHBondContact O-N 2.89Å; S788-Q790 PolarHBondContact O-N 2.94Å
791	I	78.8	Confident	83.9	Confident	8 Å²	8	41.3 Å²	41.3	4%	0.041	23%	0.226	C	C	.	.	S	Bend	trans	-92.8	121.8	172.9	-60.9	-58.2	0	0	0	108.8	D764 L765 F770 I787 S788 A793 F796 C821	D764-I791 HydrophobicContact CB-CD1 3.99Å; L765-I791 HydrophobicContact CD1-CG2 4Å; L765-I791 HydrophobicContact CG-CG2 4.43Å; F770-I791 HydrophobicContact CE1-CD1 3.78Å; F770-I791 HydrophobicContact CZ-CD1 3.86Å; I787-I791 HydrophobicContact CD1-CG1 4.3Å; I787-I791 HydrophobicContact CG1-CG1 4.14Å; I787-I791 PolarHBondContact O-N 3.04Å; S788-I791 PolarHBondContact O-N 2.96Å; I791-A793 PolarHBondContact O-N 2.69Å; I791-F796 HydrophobicContact CB-CD1 4.14Å; I791-F796 HydrophobicContact CB-CE1 3.8Å; I791-F796 HydrophobicContact CB-CZ 4.13Å; I791-F796 HydrophobicContact CG1-CE1 4.1Å; I791-F796 HydrophobicContact CG1-CE2 4.26Å; I791-F796 HydrophobicContact CG1-CZ 3.89Å; I791-F796 HydrophobicContact CG2-CD1 3.75Å; I791-F796 HydrophobicContact CG2-CE1 3.95Å; I791-F796 HydrophobicContact CG2-CG 4.09Å; I791-F796 HydrophobicContact CG2-CZ 4.45Å; I791-C821 WeakPolarHBondContact CD1-SG 3.21Å; I791-C821 HydrophobicContact CG2-CB 4.48Å
792	S	74.1	Confident	83.5	Confident	96 Å²	96	45.8 Å²	45.8	67%	0.671	25%	0.25	S	C	*	.	S	Bend	trans	-65.7	3.4	-171.6	-38.9	0	0	0	0	116	Q766	Q766-S792 PolarHBondContact NE2-OG 2.81Å
793	A	77.2	Confident	83.3	Confident	30 Å²	30	50.7 Å²	50.7	25%	0.248	27%	0.265	C	S	.	.	S	Bend	trans	-121.3	129.9	177.8	0	0	0	0	0	112	L765 I791 T795	L765-A793 HydrophobicContact CD1-CB 3.24Å; I791-A793 PolarHBondContact O-N 2.69Å; A793-T795 PolarHBondContact O-N 3.19Å; A793-T795 VanDerWaalsContact O-N 3.07Å
794	K	76.8	Confident	83	Confident	162 Å²	162	56.6 Å²	56.6	70%	0.704	29%	0.29	S	S	*	.	S	Bend	trans	-65.8	-10.7	-177.2	-56.3	-168.3	173.1	-155.9	0	115.6	Q836 D837	K794-Q836 VanDerWaalsContact O-CA 3.31Å; K794-Q836 WeakPolarHBondContact O-CA 3.29Å; K794-D837 PolarHBondContact O-N 3.22Å; K794-D837 VanDerWaalsContact O-N 3.08Å
795	T	87.2	Confident	82.7	Confident	31 Å²	31	60.8 Å²	60.8	19%	0.19	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	107.7	-179.6	50	0	0	0	0	111.8	A793 A824 V835 Q836	A793-T795 PolarHBondContact O-N 3.19Å; A793-T795 VanDerWaalsContact O-N 3.07Å; T795-A824 PolarHBondContact O-N 3.33Å; T795-V835 WeakPolarHBondContact CA-O 3.29Å; T795-Q836 HydrophobicContact CG2-CB 3.9Å; T795-Q836 HydrophobicContact CG2-CG 3.69Å
796	F	91.1	Very high	82.8	Confident	2 Å²	2	59 Å²	59	1%	0.009	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	166.2	179	70.4	-86	0	0	0	112.9	L765 A784 I787 I791 L798 C821 V822 R834 V835	L765-F796 HydrophobicContact CD1-CB 4.49Å; A784-F796 WeakPolarHBondContact O-CZ 3.4Å; I787-F796 HydrophobicContact CD1-CE2 4.17Å; I787-F796 HydrophobicContact CD1-CZ 4.39Å; I787-F796 HydrophobicContact CG1-CE2 4.29Å; I787-F796 HydrophobicContact CG1-CZ 4.01Å; I791-F796 HydrophobicContact CB-CD1 4.14Å; I791-F796 HydrophobicContact CB-CE1 3.8Å; I791-F796 HydrophobicContact CB-CZ 4.13Å; I791-F796 HydrophobicContact CG1-CE1 4.1Å; I791-F796 HydrophobicContact CG1-CE2 4.26Å; I791-F796 HydrophobicContact CG1-CZ 3.89Å; I791-F796 HydrophobicContact CG2-CD1 3.75Å; I791-F796 HydrophobicContact CG2-CE1 3.95Å; I791-F796 HydrophobicContact CG2-CG 4.09Å; I791-F796 HydrophobicContact CG2-CZ 4.45Å; F796-L798 HydrophobicContact CD2-CD2 4.47Å; F796-L798 HydrophobicContact CE2-CD2 4.35Å; F796-C821 HydrophobicContact CD2-CB 4.17Å; F796-V822 CarbonylContact C-O 3.27Å; F796-V822 VanDerWaalsContact CA-O 3.24Å; F796-V822 WeakPolarHBondContact CA-O 3.39Å; F796-V822 WeakPolarHBondContact CB-O 3.09Å; F796-R834 CarbonylContact O-C 3.55Å; F796-R834 WeakPolarHBondContact O-CA 3.41Å; F796-R834 WeakPolarHBondContact O-CB 3.36Å; F796-V835 HydrophobicContact CE1-CB 4.36Å; F796-V835 HydrophobicContact CZ-CB 4.33Å; F796-V835 PolarHBondContact N-O 3.36Å; F796-V835 PolarHBondContact O-N 2.99Å
797	T	92.2	Very high	83	Confident	12 Å²	12	60.7 Å²	60.7	7%	0.074	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	171.5	170.9	-167.2	0	0	0	0	109.6	C821 V822 A824 W831 W833	T797-C821 CarbonylContact O-C 3.56Å; T797-C821 WeakPolarHBondContact O-CA 3.29Å; T797-V822 HydrophobicContact CG2-CB 4.27Å; T797-V822 PolarHBondContact N-O 2.75Å; T797-V822 PolarHBondContact O-N 3.43Å; T797-A824 HydrophobicContact CG2-CB 4.37Å; T797-W831 HydrophobicContact CG2-CB 4.19Å; T797-W833 VanDerWaalsContact CB-O 3.3Å; T797-W833 WeakPolarHBondContact CB-O 3.44Å; T797-W833 PolarHBondContact OG1-O 3.1Å
798	L	91.8	Very high	83.1	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.005	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.5	178.7	-63.1	-178.2	0	0	0	111.7	V780 A784 I787 F796 F819 R820 W833	V780-L798 HydrophobicContact CG1-CB 4.39Å; V780-L798 HydrophobicContact CG1-CD1 3.93Å; A784-L798 HydrophobicContact CB-CD1 3.81Å; A784-L798 HydrophobicContact CB-CG 4.15Å; I787-L798 HydrophobicContact CD1-CD2 4.46Å; F796-L798 HydrophobicContact CD2-CD2 4.47Å; F796-L798 HydrophobicContact CE2-CD2 4.35Å; L798-F819 HydrophobicContact CB-CB 4.35Å; L798-F819 HydrophobicContact CD1-CB 4.32Å; L798-F819 HydrophobicContact CD1-CG 4.44Å; L798-F819 HydrophobicContact CD2-CB 4.27Å; L798-R820 WeakPolarHBondContact CA-O 3.45Å; L798-W833 HydrophobicContact CB-CH2 3.87Å; L798-W833 HydrophobicContact CB-CZ2 4.14Å; L798-W833 HydrophobicContact CD1-CH2 4.34Å; L798-W833 HydrophobicContact CG-CH2 4.04Å
799	E	91.4	Very high	83.2	Confident	11 Å²	11	67.6 Å²	67.6	5%	0.051	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	155	165.5	-70	-174.9	179.9	0	0	109.7	K804 F819 R820 V822 R830	E799-K804 CarbonylContact C-O 3.58Å; E799-K804 VanDerWaalsContact CA-O 3.27Å; E799-K804 WeakPolarHBondContact CA-O 3.3Å; E799-F819 CarbonylContact O-C 3.58Å; E799-F819 WeakPolarHBondContact O-CA 3.32Å; E799-R820 PolarHBondContact N-O 3.38Å; E799-R820 PolarHBondContact O-N 2.87Å; E799-V822 HydrophobicContact CB-CG2 4.03Å; E799-V822 HydrophobicContact CG-CG2 3.86Å; E799-R830 IonicContact OE1-NH2 2.72Å
800	T	87.4	Confident	83.7	Confident	32 Å²	32	65.1 Å²	65.1	20%	0.196	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	167.3	165.7	53.7	0	0	0	0	111.8	D802 R803 K804 V806	T800-D802 VanDerWaalsContact CB-OD1 3.26Å; T800-D802 WeakPolarHBondContact CB-OD1 3.43Å; T800-D802 PolarHBondContact O-N 2.91Å; T800-D802 PolarHBondContact OG1-OD1 3.16Å; T800-R803 WeakPolarHBondContact O-CA 3.5Å; T800-R803 PolarHBondContact O-N 2.91Å; T800-K804 PolarHBondContact N-O 2.89Å; T800-K804 WeakPolarHBondContact OG1-CB 3.47Å; T800-K804 PolarHBondContact OG1-N 3.03Å; T800-K804 VanDerWaalsContact OG1-N 3.14Å; T800-K804 PolarHBondContact OG1-O 2.88Å; T800-V806 HydrophobicContact CG2-CG2 3.68Å
801	L	78.3	Confident	84.3	Confident	79 Å²	79	66 Å²	66	41%	0.414	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-42.2	172.1	-91.8	177.6	0	0	0	113.9	R803 W818 R820	L801-R803 PolarHBondContact O-N 2.87Å; L801-W818 HydrophobicContact CD1-CB 3.85Å; L801-W818 HydrophobicContact CD1-CD2 3.89Å; L801-W818 HydrophobicContact CD1-CE3 3.61Å; L801-W818 HydrophobicContact CD1-CG 4.05Å; L801-W818 HydrophobicContact CD1-CZ3 4.33Å; L801-W818 HydrophobicContact CD2-CE3 3.73Å; L801-W818 HydrophobicContact CD2-CZ3 4.17Å; L801-W818 HydrophobicContact CG-CB 3.92Å; L801-W818 HydrophobicContact CG-CD2 4.37Å; L801-W818 HydrophobicContact CG-CE3 3.8Å; L801-W818 HydrophobicContact CG-CG 4.49Å; L801-R820 PolarHBondContact O-NH1 3.3Å
802	D	79.1	Confident	84.7	Confident	96 Å²	96	66 Å²	66	51%	0.513	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	15.7	179.3	69.4	-31.9	0	0	0	114	T800 K804	T800-D802 VanDerWaalsContact CB-OD1 3.26Å; T800-D802 WeakPolarHBondContact CB-OD1 3.43Å; T800-D802 PolarHBondContact O-N 2.91Å; T800-D802 PolarHBondContact OG1-OD1 3.16Å; D802-K804 PolarHBondContact O-N 2.77Å; D802-K804 WeakPolarHBondContact OD2-CD 3.29Å; D802-K804 WeakPolarHBondContact OD2-CE 3.43Å; D802-K804 IonicContact OD2-NZ 2.64Å; D802-K804 PolarHBondContact OD2-NZ 3.4Å
803	R	78.4	Confident	84.8	Confident	181 Å²	181	64.9 Å²	64.9	68%	0.683	33%	0.326	S	S	*	.			trans	61.5	37.9	172.8	-55.9	-178.4	177.8	-169.2	-4.3	114	T800 L801	T800-R803 WeakPolarHBondContact O-CA 3.5Å; T800-R803 PolarHBondContact O-N 2.91Å; L801-R803 PolarHBondContact O-N 2.87Å
804	K	81.8	Confident	84.9	Confident	127 Å²	127	70.7 Å²	70.7	55%	0.552	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-92.5	141	166.1	-64.6	169.3	179.6	147.4	0	109.4	E799 T800 D802 V806	E799-K804 CarbonylContact C-O 3.58Å; E799-K804 VanDerWaalsContact CA-O 3.27Å; E799-K804 WeakPolarHBondContact CA-O 3.3Å; T800-K804 PolarHBondContact N-O 2.89Å; T800-K804 WeakPolarHBondContact OG1-CB 3.47Å; T800-K804 PolarHBondContact OG1-N 3.03Å; T800-K804 VanDerWaalsContact OG1-N 3.14Å; T800-K804 PolarHBondContact OG1-O 2.88Å; D802-K804 PolarHBondContact O-N 2.77Å; D802-K804 WeakPolarHBondContact OD2-CD 3.29Å; D802-K804 WeakPolarHBondContact OD2-CE 3.43Å; D802-K804 IonicContact OD2-NZ 2.64Å; D802-K804 PolarHBondContact OD2-NZ 3.4Å; K804-V806 PolarHBondContact O-N 2.92Å
805	T	79.8	Confident	85.2	Confident	89 Å²	89	66.5 Å²	66.5	55%	0.546	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-69.6	120.6	168.3	51.1	0	0	0	0	109.4
806	V	87.3	Confident	84.7	Confident	6 Å²	6	67.1 Å²	67.1	4%	0.036	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-81.8	154.4	176.8	-168.3	0	0	0	0	109.2	V780 T800 K804 E810 F819 W833	V780-V806 HydrophobicContact CB-CG1 4.19Å; V780-V806 HydrophobicContact CG1-CB 4.32Å; V780-V806 HydrophobicContact CG1-CG1 3.86Å; V780-V806 HydrophobicContact CG2-CG1 3.8Å; T800-V806 HydrophobicContact CG2-CG2 3.68Å; K804-V806 PolarHBondContact O-N 2.92Å; V806-E810 HydrophobicContact CG1-CB 4.14Å; V806-E810 HydrophobicContact CG1-CG 4.42Å; V806-E810 VanDerWaalsContact CG1-OE2 3.29Å; V806-E810 WeakPolarHBondContact CG1-OE2 3.4Å; V806-F819 HydrophobicContact CG1-CE1 4Å; V806-F819 HydrophobicContact CG2-CD1 3.91Å; V806-F819 HydrophobicContact CG2-CE1 3.84Å; V806-W833 PolarHBondContact O-NE1 2.76Å
807	S	86.8	Confident	84.5	Confident	51 Å²	51	68.8 Å²	68.8	36%	0.357	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-80.6	139.1	168.4	-175.2	0	0	0	0	110.8	E809 E810	S807-E809 PolarHBondContact O-N 3.31Å; S807-E809 PolarHBondContact OG-N 2.75Å; S807-E810 PolarHBondContact N-OE2 3.1Å; S807-E810 WeakPolarHBondContact O-CB 2.95Å; S807-E810 PolarHBondContact O-N 3.28Å; S807-E810 VanDerWaalsContact O-N 3.09Å
808	F	87.1	Confident	84.3	Confident	52 Å²	52	73.1 Å²	73.1	23%	0.228	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.7	172.5	76.3	-88.3	0	0	0	112.3	G781 W833 L840 L842	G781-F808 WeakPolarHBondContact CA-O 3.39Å; G781-F808 PolarHBondContact N-O 2.82Å; F808-W833 HydrophobicContact CB-CD2 3.67Å; F808-W833 HydrophobicContact CB-CE3 4.05Å; F808-W833 HydrophobicContact CB-CG 3.88Å; F808-W833 HydrophobicContact CB-CZ2 4.32Å; F808-W833 HydrophobicContact CD1-CB 4.18Å; F808-W833 HydrophobicContact CD1-CG 4.15Å; F808-W833 HydrophobicContact CG-CG 4.43Å; F808-L840 HydrophobicContact CB-CD1 4.21Å; F808-L840 HydrophobicContact CB-CD2 4.43Å; F808-L840 HydrophobicContact CD2-CD2 3.53Å; F808-L840 HydrophobicContact CE2-CD2 3.93Å; F808-L840 HydrophobicContact CG-CD2 4.04Å; F808-L842 HydrophobicContact CD1-CD2 3.63Å; F808-L842 HydrophobicContact CE1-CD1 4.01Å; F808-L842 HydrophobicContact CE1-CD2 3.42Å; F808-L842 VanDerWaalsContact CE1-CD2 3.42Å; F808-L842 HydrophobicContact CE1-CG 4.39Å; F808-L842 HydrophobicContact CE2-CD2 4.39Å; F808-L842 HydrophobicContact CG-CD2 4.22Å; F808-L842 HydrophobicContact CZ-CD1 3.81Å; F808-L842 HydrophobicContact CZ-CD2 3.83Å; F808-L842 HydrophobicContact CZ-CG 4.49Å
809	E	86.3	Confident	84.3	Confident	111 Å²	111	73.6 Å²	73.6	52%	0.519	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-5.6	176.3	-58.2	-163.7	120.9	0	0	114	S807 E811	S807-E809 PolarHBondContact O-N 3.31Å; S807-E809 PolarHBondContact OG-N 2.75Å; E809-E811 PolarHBondContact O-N 2.84Å
810	E	89.3	Confident	84.3	Confident	100 Å²	100	75.5 Å²	75.5	47%	0.467	39%	0.388	S	S	.	.			trans	-67.9	126.4	-175.8	-155.7	166	142.9	0	0	110.7	K779 V780 V806 S807	K779-E810 CarbonylContact C-O 3.31Å; K779-E810 VanDerWaalsContact CA-O 3.32Å; K779-E810 WeakPolarHBondContact CA-O 3.43Å; V780-E810 HydrophobicContact CG2-CB 4.13Å; V780-E810 WeakPolarHBondContact CG2-O 3.37Å; V780-E810 PolarHBondContact N-O 2.77Å; V806-E810 HydrophobicContact CG1-CB 4.14Å; V806-E810 HydrophobicContact CG1-CG 4.42Å; V806-E810 VanDerWaalsContact CG1-OE2 3.29Å; V806-E810 WeakPolarHBondContact CG1-OE2 3.4Å; S807-E810 PolarHBondContact N-OE2 3.1Å; S807-E810 WeakPolarHBondContact O-CB 2.95Å; S807-E810 PolarHBondContact O-N 3.28Å; S807-E810 VanDerWaalsContact O-N 3.09Å
811	E	89.4	Confident	84.4	Confident	108 Å²	108	74.1 Å²	74.1	51%	0.505	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	127.4	-172.7	-72	170.7	-177.9	0	0	111.2	V778 K779 E809 S813	V778-E811 WeakPolarHBondContact O-CA 3.49Å; K779-E811 HydrophobicContact CD-CG 4.39Å; K779-E811 WeakPolarHBondContact CE-OE1 3.4Å; K779-E811 HydrophobicContact CG-CG 3.65Å; K779-E811 IonicContact NZ-OE1 3.42Å; K779-E811 PolarHBondContact NZ-OE1 3.06Å; E809-E811 PolarHBondContact O-N 2.84Å; E811-S813 PolarHBondContact O-N 2.9Å
812	I	85.9	Confident	85	Confident	9 Å²	9	71.8 Å²	71.8	5%	0.046	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	99.8	-175.4	-56.8	170	0	0	0	109.5	V758 I760 E777 V778 V780 V783 F819	V758-I812 HydrophobicContact CB-CG2 4.2Å; V758-I812 HydrophobicContact CG1-CG2 4.37Å; V758-I812 HydrophobicContact CG2-CB 4.44Å; V758-I812 HydrophobicContact CG2-CG2 3.86Å; I760-I812 HydrophobicContact CD1-CD1 3.49Å; I760-I812 VanDerWaalsContact CD1-CD1 3.49Å; I760-I812 HydrophobicContact CD1-CG2 4.26Å; I760-I812 HydrophobicContact CG1-CD1 4.03Å; I760-I812 HydrophobicContact CG1-CG2 4.13Å; E777-I812 PolarHBondContact N-O 3.07Å; V778-I812 HydrophobicContact CG1-CB 4.17Å; V778-I812 HydrophobicContact CG1-CD1 4.22Å; V778-I812 PolarHBondContact O-N 3.37Å; V780-I812 HydrophobicContact CG2-CD1 3.96Å; V780-I812 HydrophobicContact CG2-CG1 4.03Å; V783-I812 HydrophobicContact CG2-CD1 4.25Å; I812-F819 HydrophobicContact CD1-CE2 3.66Å; I812-F819 HydrophobicContact CD1-CZ 4Å; I812-F819 HydrophobicContact CG1-CZ 4.42Å
813	S	76.6	Confident	85.4	Confident	73 Å²	73	70.9 Å²	70.9	51%	0.51	37%	0.368	S	S	.	.			trans	-86.8	-28.8	-179.1	53.1	0	0	0	0	114.4	E811	E811-S813 PolarHBondContact O-N 2.9Å
814	E	80.3	Confident	85.7	Confident	152 Å²	152	62.2 Å²	62.2	71%	0.71	34%	0.335	S	S	*	.	S	Bend	trans	-122.4	151.3	-172.9	-66.4	-175.9	-172.3	0	0	112.5
815	S	81.4	Confident	85.7	Confident	74 Å²	74	59.1 Å²	59.1	52%	0.517	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	143.4	174.9	-68.2	0	0	0	0	111.7	V758 D759	V758-S815 WeakPolarHBondContact CA-OG 3.5Å; D759-S815 PolarHBondContact N-OG 2.88Å
816	G	78.3	Confident	85.7	Confident	44 Å²	44	59.5 Å²	59.5	45%	0.454	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	111.9	2.7	175.3	0	0	0	0	0	114.9	D759 W818	D759-G816 PolarHBondContact O-N 3.43Å; G816-W818 PolarHBondContact O-N 3.29Å
817	S	85.8	Confident	85.1	Confident	37 Å²	37	70.7 Å²	70.7	26%	0.259	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	133	169.5	-56.9	0	0	0	0	111.2	W761	W761-S817 PolarHBondContact N-O 3.03Å
818	W	88.4	Confident	84.5	Confident	102 Å²	102	69.9 Å²	69.9	39%	0.386	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	124.1	174.8	-89.7	54	0	0	0	109.9	W761 L801 G816	W761-W818 HydrophobicContact CB-CD2 4.04Å; W761-W818 HydrophobicContact CB-CG 3.83Å; W761-W818 AromaticContact CD1-CD1 3.57Å; W761-W818 AromaticContact CD1-NE1 3.37Å; W761-W818 AromaticContact CD2-NE1 3.92Å; W761-W818 AromaticContact CG-CD1 3.65Å; W761-W818 AromaticContact CG-CE2 3.99Å; W761-W818 HydrophobicContact CG-CG 4.4Å; W761-W818 AromaticContact CG-NE1 3.31Å; W761-W818 VanDerWaalsContact CG-NE1 3.31Å; W761-W818 AromaticContact NE1-NE1 3.96Å; W761-W818 WeakPolarHBondContact O-CA 3.49Å; L801-W818 HydrophobicContact CD1-CB 3.85Å; L801-W818 HydrophobicContact CD1-CD2 3.89Å; L801-W818 HydrophobicContact CD1-CE3 3.61Å; L801-W818 HydrophobicContact CD1-CG 4.05Å; L801-W818 HydrophobicContact CD1-CZ3 4.33Å; L801-W818 HydrophobicContact CD2-CE3 3.73Å; L801-W818 HydrophobicContact CD2-CZ3 4.17Å; L801-W818 HydrophobicContact CG-CB 3.92Å; L801-W818 HydrophobicContact CG-CD2 4.37Å; L801-W818 HydrophobicContact CG-CE3 3.8Å; L801-W818 HydrophobicContact CG-CG 4.49Å; G816-W818 PolarHBondContact O-N 3.29Å
819	F	91.9	Very high	83.6	Confident	12 Å²	12	76 Å²	76	5%	0.053	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	155	174.2	-55.9	-69	0	0	0	111	I760 W761 I762 E763 V780 L798 E799 V806 I812	I760-F819 HydrophobicContact CG2-CD2 3.74Å; I760-F819 HydrophobicContact CG2-CE2 3.79Å; W761-F819 PolarHBondContact O-N 3.4Å; I762-F819 WeakPolarHBondContact CA-O 3.43Å; E763-F819 PolarHBondContact N-O 2.86Å; V780-F819 HydrophobicContact CG2-CE1 4.22Å; V780-F819 HydrophobicContact CG2-CE2 4.36Å; V780-F819 HydrophobicContact CG2-CZ 3.76Å; L798-F819 HydrophobicContact CB-CB 4.35Å; L798-F819 HydrophobicContact CD1-CB 4.32Å; L798-F819 HydrophobicContact CD1-CG 4.44Å; L798-F819 HydrophobicContact CD2-CB 4.27Å; E799-F819 CarbonylContact O-C 3.58Å; E799-F819 WeakPolarHBondContact O-CA 3.32Å; V806-F819 HydrophobicContact CG1-CE1 4Å; V806-F819 HydrophobicContact CG2-CD1 3.91Å; V806-F819 HydrophobicContact CG2-CE1 3.84Å; I812-F819 HydrophobicContact CD1-CE2 3.66Å; I812-F819 HydrophobicContact CD1-CZ 4Å; I812-F819 HydrophobicContact CG1-CZ 4.42Å
820	R	90.3	Very high	82.8	Confident	50 Å²	50	78.8 Å²	78.8	19%	0.189	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.1	171.9	176.9	-175.1	-70.2	107.5	7.2	108.9	E763 L798 E799 L801 V822	E763-R820 HydrophobicContact CB-CB 4.26Å; E763-R820 HydrophobicContact CB-CG 4.3Å; E763-R820 HydrophobicContact CG-CG 4.37Å; E763-R820 WeakPolarHBondContact O-CA 3.32Å; E763-R820 IonicContact OE1-CZ 2.78Å; E763-R820 IonicContact OE1-NE 2.66Å; E763-R820 PolarHBondContact OE1-NE 3.19Å; E763-R820 IonicContact OE1-NH2 3.13Å; E763-R820 PolarHBondContact OE1-NH2 2.93Å; E763-R820 IonicContact OE2-CZ 3.55Å; E763-R820 VanDerWaalsContact OE2-CZ 3.27Å; E763-R820 IonicContact OE2-NE 2.76Å; E763-R820 PolarHBondContact OE2-NE 2.96Å; E763-R820 IonicContact OE2-NH2 3.17Å; E763-R820 PolarHBondContact OE2-NH2 3.36Å; L798-R820 WeakPolarHBondContact CA-O 3.45Å; E799-R820 PolarHBondContact N-O 3.38Å; E799-R820 PolarHBondContact O-N 2.87Å; L801-R820 PolarHBondContact O-NH1 3.3Å; R820-V822 HydrophobicContact CG-CG2 4.36Å
821	C	91.1	Very high	82.5	Confident	3 Å²	3	75.1 Å²	75.1	2%	0.02	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	133.7	168.1	-64.7	0	0	0	0	109.9	E763 L765 I791 F796 T797	E763-C821 PolarHBondContact O-N 2.66Å; L765-C821 HydrophobicContact CD2-CB 4.19Å; L765-C821 WeakPolarHBondContact CD2-O 3.27Å; L765-C821 HydrophobicContact CG-CB 3.98Å; I791-C821 WeakPolarHBondContact CD1-SG 3.21Å; I791-C821 HydrophobicContact CG2-CB 4.48Å; F796-C821 HydrophobicContact CD2-CB 4.17Å; T797-C821 CarbonylContact O-C 3.56Å; T797-C821 WeakPolarHBondContact O-CA 3.29Å
822	V	89	Confident	82.2	Confident	30 Å²	30	73 Å²	73	18%	0.182	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	135.5	-180	-179.7	0	0	0	0	109.5	F796 T797 E799 R820 A824	F796-V822 CarbonylContact C-O 3.27Å; F796-V822 VanDerWaalsContact CA-O 3.24Å; F796-V822 WeakPolarHBondContact CA-O 3.39Å; F796-V822 WeakPolarHBondContact CB-O 3.09Å; T797-V822 HydrophobicContact CG2-CB 4.27Å; T797-V822 PolarHBondContact N-O 2.75Å; T797-V822 PolarHBondContact O-N 3.43Å; E799-V822 HydrophobicContact CB-CG2 4.03Å; E799-V822 HydrophobicContact CG-CG2 3.86Å; R820-V822 HydrophobicContact CG-CG2 4.36Å; V822-A824 PolarHBondContact O-N 2.99Å
823	P	87.9	Confident	82.4	Confident	77 Å²	77	72.9 Å²	72.9	50%	0.5	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	130.8	-176.4	-20.7	32.2	0	0	0	112.2	L765 P825	L765-P823 VanDerWaalsContact CD2-CD 3.44Å; L765-P823 HydrophobicContact CD2-CG 3.7Å; P823-P825 VanDerWaalsContact O-CD 3.29Å; P823-P825 WeakPolarHBondContact O-CD 3.45Å
824	A	85.2	Confident	83	Confident	0 Å²	0	70 Å²	70	0%	0	35%	0.354	C	S	.	.			trans	-119.8	53.8	-176.7	0	0	0	0	0	113.7	T795 T797 V822 W831 R834	T795-A824 PolarHBondContact O-N 3.33Å; T797-A824 HydrophobicContact CG2-CB 4.37Å; V822-A824 PolarHBondContact O-N 2.99Å; A824-W831 HydrophobicContact CB-CB 4.22Å; A824-W831 HydrophobicContact CB-CD2 4.46Å; A824-W831 HydrophobicContact CB-CG 3.94Å; A824-R834 HydrophobicContact CB-CB 3.55Å; A824-R834 HydrophobicContact CB-CG 4.41Å; A824-R834 WeakPolarHBondContact O-CD 2.79Å; A824-R834 PolarHBondContact O-NH1 3.42Å
825	P	82.8	Confident	83.4	Confident	61 Å²	61	62.9 Å²	62.9	40%	0.396	32%	0.32	S	S	.	.			trans	-70.4	156.9	178.2	32	-36.2	0	0	0	111.7	P823 R827 C828 W831	P823-P825 VanDerWaalsContact O-CD 3.29Å; P823-P825 WeakPolarHBondContact O-CD 3.45Å; P825-R827 PolarHBondContact O-N 2.92Å; P825-R827 VanDerWaalsContact O-N 3.07Å; P825-C828 HydrophobicContact CG-CB 4.03Å; P825-C828 VanDerWaalsContact O-CB 3.29Å; P825-C828 WeakPolarHBondContact O-CB 3.5Å; P825-C828 PolarHBondContact O-N 3.09Å; P825-W831 PolarHBondContact O-NE1 3.21Å; P825-W831 VanDerWaalsContact O-NE1 3.07Å
826	D	79	Confident	83.7	Confident	98 Å²	98	61.5 Å²	61.5	52%	0.524	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-35.4	-171.6	-37.6	-42	0	0	0	113.5	C828 R834 R843	D826-C828 VanDerWaalsContact C-N 3.29Å; D826-C828 PolarHBondContact O-N 3.3Å; D826-R834 IonicContact OD1-CZ 3.59Å; D826-R834 IonicContact OD1-NH1 3.27Å; D826-R834 PolarHBondContact OD1-NH1 3.46Å; D826-R834 IonicContact OD1-NH2 3.85Å; D826-R834 PolarHBondContact OD1-NH2 2.55Å; D826-R843 PolarHBondContact O-NH2 3.14Å
827	R	74.6	Confident	83.9	Confident	240 Å²	240	63.9 Å²	63.9	91%	0.906	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-11.9	-177.9	-60.2	179.8	-175.1	-107.7	-0.6	113.4	P825	P825-R827 PolarHBondContact O-N 2.92Å; P825-R827 VanDerWaalsContact O-N 3.07Å
828	C	73.3	Confident	83.5	Confident	35 Å²	35	63.6 Å²	63.6	24%	0.236	31%	0.311	C	S	.	.			trans	-82.7	135.5	174.4	-172.6	0	0	0	0	109.9	P825 D826 W831 R843	P825-C828 HydrophobicContact CG-CB 4.03Å; P825-C828 VanDerWaalsContact O-CB 3.29Å; P825-C828 WeakPolarHBondContact O-CB 3.5Å; P825-C828 PolarHBondContact O-N 3.09Å; D826-C828 VanDerWaalsContact C-N 3.29Å; D826-C828 PolarHBondContact O-N 3.3Å; C828-W831 PolarHBondContact O-NE1 2.79Å; C828-R843 PolarHBondContact O-NH1 3.19Å
829	Q	68.1	Low	83.2	Confident	179 Å²	179	66 Å²	66	84%	0.836	32%	0.324	S	S	*	.	S	Bend	trans	-98.7	8.1	176.8	-68.2	-177.1	-16.1	0	0	113.4
830	R	70.8	Confident	83	Confident	171 Å²	171	68.1 Å²	68.1	65%	0.645	34%	0.336	S	S	*	.	S	Bend	trans	-90.3	-9.9	-172.8	-64.9	-177.9	56.7	155.5	-4.3	115.1	E799	E799-R830 IonicContact OE1-NH2 2.72Å
831	W	83.3	Confident	82.9	Confident	22 Å²	22	69.1 Å²	69.1	8%	0.083	34%	0.342	C	S	.	.			trans	-105.9	132.7	-179.6	62.5	-94.4	0	0	0	110.8	T797 A824 P825 C828 R834 R843	T797-W831 HydrophobicContact CG2-CB 4.19Å; A824-W831 HydrophobicContact CB-CB 4.22Å; A824-W831 HydrophobicContact CB-CD2 4.46Å; A824-W831 HydrophobicContact CB-CG 3.94Å; P825-W831 PolarHBondContact O-NE1 3.21Å; P825-W831 VanDerWaalsContact O-NE1 3.07Å; C828-W831 PolarHBondContact O-NE1 2.79Å; W831-R834 HydrophobicContact CD2-CB 4.28Å; W831-R834 HydrophobicContact CD2-CG 4.3Å; W831-R834 HydrophobicContact CE3-CB 4.01Å; W831-R834 HydrophobicContact CE3-CG 3.87Å; W831-R834 HydrophobicContact CH2-CG 4.12Å; W831-R834 HydrophobicContact CZ3-CB 4.41Å; W831-R834 HydrophobicContact CZ3-CG 3.76Å; W831-R843 VanDerWaalsContact CE2-NH1 3.33Å; W831-R843 HydrophobicContact CE3-CB 4.17Å; W831-R843 HydrophobicContact CH2-CB 4.33Å; W831-R843 HydrophobicContact CH2-CG 4.47Å; W831-R843 HydrophobicContact CZ3-CB 3.75Å; W831-R843 HydrophobicContact CZ3-CG 4.34Å
832	S	81.5	Confident	82.6	Confident	65 Å²	65	73.9 Å²	73.9	46%	0.455	37%	0.367	S	S	.	.	S	Bend	trans	-93.3	-28	168.9	49.5	0	0	0	0	112	R843	S832-R843 WeakPolarHBondContact O-CB 3.26Å; S832-R843 PolarHBondContact O-N 3.17Å
833	W	90.5	Very high	82	Confident	5 Å²	5	77.2 Å²	77.2	2%	0.019	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	156.2	169.6	66.1	-87.5	0	0	0	109.6	V780 A784 T797 L798 V806 F808 V835 L840 E841 L842	V780-W833 HydrophobicContact CG1-CH2 3.99Å; V780-W833 HydrophobicContact CG1-CZ2 3.93Å; A784-W833 HydrophobicContact CB-CH2 3.88Å; A784-W833 HydrophobicContact CB-CZ3 3.68Å; T797-W833 VanDerWaalsContact CB-O 3.3Å; T797-W833 WeakPolarHBondContact CB-O 3.44Å; T797-W833 PolarHBondContact OG1-O 3.1Å; L798-W833 HydrophobicContact CB-CH2 3.87Å; L798-W833 HydrophobicContact CB-CZ2 4.14Å; L798-W833 HydrophobicContact CD1-CH2 4.34Å; L798-W833 HydrophobicContact CG-CH2 4.04Å; V806-W833 PolarHBondContact O-NE1 2.76Å; F808-W833 HydrophobicContact CB-CD2 3.67Å; F808-W833 HydrophobicContact CB-CE3 4.05Å; F808-W833 HydrophobicContact CB-CG 3.88Å; F808-W833 HydrophobicContact CB-CZ2 4.32Å; F808-W833 HydrophobicContact CD1-CB 4.18Å; F808-W833 HydrophobicContact CD1-CG 4.15Å; F808-W833 HydrophobicContact CG-CG 4.43Å; W833-V835 HydrophobicContact CZ3-CG2 4.46Å; W833-L840 HydrophobicContact CD2-CD1 4.36Å; W833-L840 HydrophobicContact CE3-CD1 3.51Å; W833-L840 HydrophobicContact CZ3-CD1 4.06Å; W833-E841 CarbonylContact C-O 3.54Å; W833-E841 VanDerWaalsContact CA-O 3.29Å; W833-E841 WeakPolarHBondContact CA-O 3.41Å; W833-L842 HydrophobicContact CB-CD2 3.63Å
834	R	90.4	Very high	80.6	Confident	14 Å²	14	86.1 Å²	86.1	5%	0.053	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	167.6	175	66.3	178.5	179.3	-177.5	-0.2	110.6	F796 A824 D826 W831 Q836 L840 E841	F796-R834 CarbonylContact O-C 3.55Å; F796-R834 WeakPolarHBondContact O-CA 3.41Å; F796-R834 WeakPolarHBondContact O-CB 3.36Å; A824-R834 HydrophobicContact CB-CB 3.55Å; A824-R834 HydrophobicContact CB-CG 4.41Å; A824-R834 WeakPolarHBondContact O-CD 2.79Å; A824-R834 PolarHBondContact O-NH1 3.42Å; D826-R834 IonicContact OD1-CZ 3.59Å; D826-R834 IonicContact OD1-NH1 3.27Å; D826-R834 PolarHBondContact OD1-NH1 3.46Å; D826-R834 IonicContact OD1-NH2 3.85Å; D826-R834 PolarHBondContact OD1-NH2 2.55Å; W831-R834 HydrophobicContact CD2-CB 4.28Å; W831-R834 HydrophobicContact CD2-CG 4.3Å; W831-R834 HydrophobicContact CE3-CB 4.01Å; W831-R834 HydrophobicContact CE3-CG 3.87Å; W831-R834 HydrophobicContact CH2-CG 4.12Å; W831-R834 HydrophobicContact CZ3-CB 4.41Å; W831-R834 HydrophobicContact CZ3-CG 3.76Å; R834-Q836 VanDerWaalsContact CZ-OE1 3.24Å; R834-L840 WeakPolarHBondContact O-CA 3.06Å; R834-E841 HydrophobicContact CG-CB 3.95Å; R834-E841 IonicContact CZ-OE2 3.41Å; R834-E841 PolarHBondContact N-O 3.14Å; R834-E841 IonicContact NE-OE2 2.75Å; R834-E841 PolarHBondContact NE-OE2 2.72Å; R834-E841 IonicContact NH2-OE2 3.19Å; R834-E841 PolarHBondContact NH2-OE2 3.19Å; R834-E841 PolarHBondContact O-N 3.45Å
835	V	88.9	Confident	80.3	Confident	1 Å²	1	90.5 Å²	90.5	1%	0.006	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	128.1	158.9	-179.9	0	0	0	0	108.1	A784 I785 T795 F796 W833 K839 L840	A784-V835 HydrophobicContact CB-CG2 3.68Å; I785-V835 HydrophobicContact CG1-CG2 4.29Å; T795-V835 WeakPolarHBondContact CA-O 3.29Å; F796-V835 HydrophobicContact CE1-CB 4.36Å; F796-V835 HydrophobicContact CZ-CB 4.33Å; F796-V835 PolarHBondContact N-O 3.36Å; F796-V835 PolarHBondContact O-N 2.99Å; W833-V835 HydrophobicContact CZ3-CG2 4.46Å; V835-K839 CarbonylContact C-O 3.56Å; V835-K839 VanDerWaalsContact CA-O 3.28Å; V835-K839 WeakPolarHBondContact CA-O 3.18Å; V835-L840 HydrophobicContact CG2-CD1 4.36Å
836	Q	87.6	Confident	80.2	Confident	46 Å²	46	92 Å²	92	22%	0.215	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	128.2	171.4	174	159.9	-17.5	0	0	109.7	K794 T795 R834 G838 K839 E841	K794-Q836 VanDerWaalsContact O-CA 3.31Å; K794-Q836 WeakPolarHBondContact O-CA 3.29Å; T795-Q836 HydrophobicContact CG2-CB 3.9Å; T795-Q836 HydrophobicContact CG2-CG 3.69Å; R834-Q836 VanDerWaalsContact CZ-OE1 3.24Å; Q836-G838 PolarHBondContact O-N 3.46Å; Q836-G838 VanDerWaalsContact O-N 3.11Å; Q836-K839 PolarHBondContact N-O 3.42Å; Q836-K839 PolarHBondContact O-N 3.06Å; Q836-E841 HydrophobicContact CB-CG 4.29Å
837	D	80.8	Confident	80.3	Confident	94 Å²	94	91.7 Å²	91.7	50%	0.503	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.3	47.4	173.6	-59.7	-61.7	0	0	0	113	K794 K839	K794-D837 PolarHBondContact O-N 3.22Å; K794-D837 VanDerWaalsContact O-N 3.08Å; D837-K839 PolarHBondContact O-N 2.64Å
838	G	78.2	Confident	80.6	Confident	31 Å²	31	82.9 Å²	82.9	32%	0.32	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	3	-179.6	0	0	0	0	0	116.6	S788 Q836	S788-G838 WeakPolarHBondContact OG-CA 3.47Å; Q836-G838 PolarHBondContact O-N 3.46Å; Q836-G838 VanDerWaalsContact O-N 3.11Å
839	K	82.7	Confident	81	Confident	153 Å²	153	85.9 Å²	85.9	67%	0.665	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	139.8	-173.6	-63.8	173.6	-173.9	170.2	0	112.1	V835 Q836 D837 E841	V835-K839 CarbonylContact C-O 3.56Å; V835-K839 VanDerWaalsContact CA-O 3.28Å; V835-K839 WeakPolarHBondContact CA-O 3.18Å; Q836-K839 PolarHBondContact N-O 3.42Å; Q836-K839 PolarHBondContact O-N 3.06Å; D837-K839 PolarHBondContact O-N 2.64Å; K839-E841 PolarHBondContact O-N 3.36Å
840	L	87.4	Confident	81.9	Confident	56 Å²	56	79.7 Å²	79.7	29%	0.293	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	124	171.2	-173.8	77.8	0	0	0	110	I785 F808 W833 R834 V835 L842	I785-L840 HydrophobicContact CD1-CB 4.05Å; I785-L840 HydrophobicContact CG1-CB 4.27Å; F808-L840 HydrophobicContact CB-CD1 4.21Å; F808-L840 HydrophobicContact CB-CD2 4.43Å; F808-L840 HydrophobicContact CD2-CD2 3.53Å; F808-L840 HydrophobicContact CE2-CD2 3.93Å; F808-L840 HydrophobicContact CG-CD2 4.04Å; W833-L840 HydrophobicContact CD2-CD1 4.36Å; W833-L840 HydrophobicContact CE3-CD1 3.51Å; W833-L840 HydrophobicContact CZ3-CD1 4.06Å; R834-L840 WeakPolarHBondContact O-CA 3.06Å; V835-L840 HydrophobicContact CG2-CD1 4.36Å; L840-L842 HydrophobicContact CD2-CD2 4.15Å; L840-L842 HydrophobicContact CG-CD2 4.26Å
841	E	88.1	Confident	82.7	Confident	70 Å²	70	73.2 Å²	73.2	33%	0.327	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134.1	170.6	-65.8	-170.7	163	0	0	110.1	W833 R834 Q836 K839	W833-E841 CarbonylContact C-O 3.54Å; W833-E841 VanDerWaalsContact CA-O 3.29Å; W833-E841 WeakPolarHBondContact CA-O 3.41Å; R834-E841 HydrophobicContact CG-CB 3.95Å; R834-E841 IonicContact CZ-OE2 3.41Å; R834-E841 PolarHBondContact N-O 3.14Å; R834-E841 IonicContact NE-OE2 2.75Å; R834-E841 PolarHBondContact NE-OE2 2.72Å; R834-E841 IonicContact NH2-OE2 3.19Å; R834-E841 PolarHBondContact NH2-OE2 3.19Å; R834-E841 PolarHBondContact O-N 3.45Å; Q836-E841 HydrophobicContact CB-CG 4.29Å; K839-E841 PolarHBondContact O-N 3.36Å
842	L	84.8	Confident	82.7	Confident	103 Å²	103	77.2 Å²	77.2	54%	0.539	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	150.9	174.5	-55.6	-176.4	0	0	0	110	F808 W833 L840	F808-L842 HydrophobicContact CD1-CD2 3.63Å; F808-L842 HydrophobicContact CE1-CD1 4.01Å; F808-L842 HydrophobicContact CE1-CD2 3.42Å; F808-L842 VanDerWaalsContact CE1-CD2 3.42Å; F808-L842 HydrophobicContact CE1-CG 4.39Å; F808-L842 HydrophobicContact CE2-CD2 4.39Å; F808-L842 HydrophobicContact CG-CD2 4.22Å; F808-L842 HydrophobicContact CZ-CD1 3.81Å; F808-L842 HydrophobicContact CZ-CD2 3.83Å; F808-L842 HydrophobicContact CZ-CG 4.49Å; W833-L842 HydrophobicContact CB-CD2 3.63Å; L840-L842 HydrophobicContact CD2-CD2 4.15Å; L840-L842 HydrophobicContact CG-CD2 4.26Å
843	R	77.3	Confident	82.8	Confident	100 Å²	100	78.2 Å²	78.2	38%	0.377	38%	0.38	S	S	.	.			trans	-110	122.5	173.4	-159.5	-178	-156.5	137.4	8.6	110.3	D826 C828 W831 S832	D826-R843 PolarHBondContact O-NH2 3.14Å; C828-R843 PolarHBondContact O-NH1 3.19Å; W831-R843 VanDerWaalsContact CE2-NH1 3.33Å; W831-R843 HydrophobicContact CE3-CB 4.17Å; W831-R843 HydrophobicContact CH2-CB 4.33Å; W831-R843 HydrophobicContact CH2-CG 4.47Å; W831-R843 HydrophobicContact CZ3-CB 3.75Å; W831-R843 HydrophobicContact CZ3-CG 4.34Å; S832-R843 WeakPolarHBondContact O-CB 3.26Å; S832-R843 PolarHBondContact O-N 3.17Å
844	E	56.7	Low	82.1	Confident	265 Å²	265	84.8 Å²	84.8	100%	1.238	41%	0.412	S	S	*	.			trans	-72.9	0	165.9	-59.5	-171	145.5	0	0	112.1

Retrieved 844 of 844 residues in 166.2 ms (Link to these results)

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