A0A093K302_STRCA Loading...

SH3 domain-binding protein 4

AlphaFold DB , UniProt , Accession A0A093K302, Species STRCA (Struthio camelus australis), Gene n/a, Length 964 aa.

						>A0A093K302_STRCA|A0A093K302
MAAQRIRAANSSGLPRCKSEGTLIDLSEGLSENSLSDVKVPSPSALLIDNPTSFGNAKEVIAIKDYCPTNFTTLKFSKGDHLYVLDTSGGEWWYAHNTTEMGYIPSSYVQPVNYRNSSLTDSGMIDNLLESPDEGVKELDLLGEWTDMKRSSAKTYNNNPFLNGVQTNPFLNGNLQTVPSSDNESNSKATVDLLLFDTGAPTSAGSSSAANSSMGNIFDEFPSTNRLELEQTVKRDNPFFRSKRSYSLSELSVLQAKSDTPMSSGFFSGLKSPTPEQFQSREDFRTAWLNHRKLARSCHDLDLLGQSPGWGQTQPVETNIVCKLDSSGGAVQLPDTNISIHVPEGHVCPGETQQISMKAMLDPPLELNSDKCSTISPVLQIKLSNMEVKTFIILEMKVSAEVKNDIMSKSLVGLQCLRSDMKEGPYTPMQLSYSYGDTIQVQLENLEPCMYIAAVAQGQNILYPYTVWDYISKKITVGVYGPKHIHPSFKTVVAVFGHECAPKTLLVNEVTRQAHNPAPVALQLWGKHQFTLSRPQDLKICMFSNMTNYEVKASEQAKIVRGFQMKLGKVSRLIFPIASHDPNELSDFTLRIQVKDDKDAILTQFCVQTPQPPPKSAIKPTGQRRFLKKNEVGKIILSPLAATAKYPVFQDRPVLSLKYGKLLKTVVRQNKNHYLLEYKKGDVIALLSEEKIRLKGQLWTKEWYIGYYQGKIGLVHTKNVLVVGKVKPSYFSGPDLTTSLLLEQILRPCKFLTYIYASVRTLLMENLSSWRSFADALGYLNLPLTFFCRAELDSEPERVASVLEKLKEDCNNTENKDRKSFQKELMTALLKMDCQGLVVRLIQDFVLLTTAVEVAQRWRELAEKLVKVSKQQMDAYEAPHRDKTGVVDSEAMWKPAYDFLLTWSSQIGDSYRDVIQELHTGLDKMKNPITKRWKHLTGTLILVNSLDMLRAAAFSPQEHEDFAI
					

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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	36.3	Very low	29.2	Very low	235 Å²	235	147 Å²	147	100%	1.158	82%	0.816	S	S	*	*				0	116	0	-58.8	-177.6	-78.9	0	0	105.6
2	A	26.3	Very low	28.9	Very low	103 Å²	103	144.8 Å²	144.8	85%	0.851	82%	0.818	S	S	*	*				61.1	125.4	53.2	0	0	0	0	0	110.8
3	A	28.8	Very low	28.6	Very low	88 Å²	88	139.2 Å²	139.2	73%	0.727	81%	0.812	S	S	*	*			cis	-122.5	154.3	11.3	0	0	0	0	0	111.1
4	Q	31.7	Very low	28.5	Very low	149 Å²	149	141.4 Å²	141.4	70%	0.696	82%	0.817	S	S	*	*				60.6	136.8	63.4	-82.8	-177.6	7.3	0	0	112.9
5	R	30.4	Very low	28.8	Very low	198 Å²	198	139.4 Å²	139.4	75%	0.747	81%	0.811	S	S	*	*			cis	-153.8	143.7	24.3	-106	144.2	-155.1	-152.1	9.3	110.9
6	I	31.8	Very low	28.6	Very low	148 Å²	148	145.3 Å²	145.3	76%	0.759	82%	0.816	S	S	*	*				61.9	126	94.8	-66	-179.5	0	0	0	113.2
7	R	29.5	Very low	28.4	Very low	240 Å²	240	142.5 Å²	142.5	91%	0.906	81%	0.807	S	S	*	*				-126	-126	61.7	-155.3	170.8	-72	-156.9	-1.6	117.9
8	A	26.8	Very low	28.2	Very low	83 Å²	83	145.9 Å²	145.9	69%	0.686	81%	0.812	S	S	*	*			trans	-150.3	157.9	-155.7	0	0	0	0	0	110.2
9	A	26	Very low	28.2	Very low	85 Å²	85	144.3 Å²	144.3	70%	0.702	81%	0.811	S	S	*	*			cis	93.2	117.4	19.6	0	0	0	0	0	117.2
10	N	27.4	Very low	28.1	Very low	166 Å²	166	146.8 Å²	146.8	89%	0.888	82%	0.816	S	S	*	*			trans	67.4	144.6	149.1	-63.2	6.4	0	0	0	123.9
11	S	26.2	Very low	28	Very low	122 Å²	122	143.2 Å²	143.2	85%	0.853	81%	0.812	S	S	*	*			trans	-140.3	-154.4	159.3	62.1	0	0	0	0	108.8
12	S	25.5	Very low	27.6	Very low	120 Å²	120	138.4 Å²	138.4	84%	0.839	80%	0.796	S	S	*	*			trans	-146.6	166	-177.4	59	0	0	0	0	111.5
13	G	24.9	Very low	27.5	Very low	72 Å²	72	140.3 Å²	140.3	74%	0.742	79%	0.791	S	S	*	*			cis	-177.4	-145.1	2.5	0	0	0	0	0	113.7
14	L	27.8	Very low	27.4	Very low	170 Å²	170	143 Å²	143	89%	0.89	79%	0.792	S	S	*	*			trans	-134.2	158.9	175.3	-77.6	169	0	0	0	109.8
15	P	32.8	Very low	27	Very low	112 Å²	112	142.4 Å²	142.4	73%	0.727	79%	0.793	S	S	*	*				-140	136	114.4	33	-17.5	0	0	0	113.2
16	R	25.5	Very low	26.8	Very low	233 Å²	233	139.7 Å²	139.7	88%	0.879	79%	0.793	S	S	*	*				67.4	146.7	96.4	-66.1	-170	148.7	129.3	-5.1	116
17	C	24.9	Very low	26.6	Very low	99 Å²	99	138 Å²	138	67%	0.669	80%	0.795	S	S	*	*			cis	-174.6	160.2	-13.6	-106.3	0	0	0	0	111
18	K	25.8	Very low	26.4	Very low	204 Å²	204	135.9 Å²	135.9	89%	0.887	80%	0.795	S	S	*	*			trans	70.5	156	160.6	-70	175	179.8	-170.7	0	116.8
19	S	28.1	Very low	26.3	Very low	114 Å²	114	135.4 Å²	135.4	80%	0.797	80%	0.798	S	S	*	*			cis	-156.7	160.4	-0.7	33	0	0	0	0	113
20	E	25.6	Very low	26.3	Very low	195 Å²	195	140.1 Å²	140.1	91%	0.911	81%	0.811	S	S	*	*			trans	-73.1	156.6	158.8	-58.2	147.3	120.6	0	0	109.8
21	G	26.5	Very low	26.3	Very low	72 Å²	72	136.4 Å²	136.4	74%	0.742	80%	0.798	S	S	*	*			cis	-178.8	-160.4	2.2	0	0	0	0	0	107.5
22	T	26.5	Very low	26.4	Very low	133 Å²	133	140.2 Å²	140.2	82%	0.816	80%	0.802	S	S	*	*			cis	-167.4	169.9	-3	-50.4	0	0	0	0	108.3
23	L	25.2	Very low	26.6	Very low	143 Å²	143	139.5 Å²	139.5	75%	0.749	79%	0.789	S	S	*	*			trans	84.1	108	167	-59.7	174.9	0	0	0	120.3
24	I	27.3	Very low	27	Very low	145 Å²	145	140.4 Å²	140.4	74%	0.744	78%	0.784	S	S	*	*				36	126.7	122.2	-50.9	169.2	0	0	0	117
25	D	23.6	Very low	27.4	Very low	136 Å²	136	137.4 Å²	137.4	73%	0.727	77%	0.768	S	S	*	*			cis	-155.4	172.1	37.1	-146.1	-8	0	0	0	116.5
26	L	25.6	Very low	27.3	Very low	142 Å²	142	135.4 Å²	135.4	74%	0.743	76%	0.756	S	S	*	*			trans	58.4	114.5	152.9	-79.7	165.5	0	0	0	123.6
27	S	26.4	Very low	27.6	Very low	113 Å²	113	131.4 Å²	131.4	79%	0.79	75%	0.753	S	S	*	*			trans	87.9	150.4	140.8	73	0	0	0	0	122.2
28	E	25.3	Very low	28	Very low	194 Å²	194	130.6 Å²	130.6	91%	0.907	74%	0.744	S	S	*	*			trans	57	87.6	174.9	-58.7	-154.5	130.1	0	0	121.2
29	G	25.8	Very low	28.2	Very low	73 Å²	73	130.5 Å²	130.5	75%	0.753	74%	0.744	S	S	*	*				80.5	109	114.7	0	0	0	0	0	120.9
30	L	25.3	Very low	28.4	Very low	185 Å²	185	131 Å²	131	97%	0.969	74%	0.742	S	S	*	*				179.2	144	118.1	-94.6	167.1	0	0	0	110.4
31	S	27.7	Very low	28.5	Very low	88 Å²	88	127.2 Å²	127.2	62%	0.615	73%	0.734	S	S	*	*			trans	-115.3	141	-176.8	52.8	0	0	0	0	112.4	N33	S31-N33 PolarHBondContact O-N 3.11Å
32	E	28.9	Very low	28.5	Very low	201 Å²	201	128.1 Å²	128.1	94%	0.939	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-68.6	126.9	166.8	-65.1	-170.6	134.6	0	0	110.3
33	N	29.8	Very low	28.7	Very low	106 Å²	106	127.5 Å²	127.5	57%	0.567	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-81.3	126.2	-166.1	-77.6	-32.5	0	0	0	113.4	S31 E91	S31-N33 PolarHBondContact O-N 3.11Å; N33-E91 VanDerWaalsContact CB-OE2 3.29Å; N33-E91 WeakPolarHBondContact CB-OE2 3.26Å; N33-E91 PolarHBondContact ND2-OE1 2.98Å
34	S	31.9	Very low	28.8	Very low	91 Å²	91	126.4 Å²	126.4	64%	0.636	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-96.6	143.4	171	81.8	0	0	0	0	110.9	S36	S34-S36 PolarHBondContact O-N 2.78Å
35	L	37	Very low	29.1	Very low	106 Å²	106	123.6 Å²	123.6	56%	0.555	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	60	-175.2	-148.3	171.7	0	0	0	111.7	W92	L35-W92 HydrophobicContact CD1-CD2 3.94Å; L35-W92 HydrophobicContact CD1-CG 3.97Å; L35-W92 HydrophobicContact CD1-CZ2 4.36Å
36	S	30.6	Very low	29.6	Very low	70 Å²	70	124.6 Å²	124.6	49%	0.49	74%	0.735	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99	-43.1	-176.1	57	0	0	0	0	113.8	S34	S34-S36 PolarHBondContact O-N 2.78Å
37	D	33	Very low	30.1	Very low	150 Å²	150	125.7 Å²	125.7	80%	0.802	74%	0.74	S	S	*	*			trans	-111.2	85.3	-167.1	-75.3	-79.9	0	0	0	113.5
38	V	33.2	Very low	30.2	Very low	81 Å²	81	128.1 Å²	128.1	49%	0.491	74%	0.743	S	S	.	*			trans	-121.8	112.4	159.3	179.8	0	0	0	0	108.1	V40	V38-V40 PolarHBondContact O-N 2.8Å
39	K	29.5	Very low	30.4	Very low	203 Å²	203	125.9 Å²	125.9	88%	0.883	74%	0.737	S	S	*	*			trans	-80.6	108.3	-171.3	-169.4	175.1	-173.8	174.8	0	110.9	P41	K39-P41 WeakPolarHBondContact O-CD 3.33Å
40	V	32.9	Very low	30.4	Very low	124 Å²	124	129.3 Å²	129.3	75%	0.752	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-63.3	123.9	177.8	-175.8	0	0	0	0	110.2	V38	V38-V40 PolarHBondContact O-N 2.8Å
41	P	26.5	Very low	31.2	Very low	115 Å²	115	126 Å²	126	75%	0.747	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-69.9	142.4	175.1	28.5	-33.6	0	0	0	111.1	K39	K39-P41 WeakPolarHBondContact O-CD 3.33Å
42	S	26.7	Very low	31.1	Very low	92 Å²	92	128.1 Å²	128.1	64%	0.643	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-76.3	154.9	-175.5	-62.2	0	0	0	0	112.8	S44	S42-S44 PolarHBondContact O-N 3.08Å
43	P	29.7	Very low	31.2	Very low	119 Å²	119	123.5 Å²	123.5	77%	0.773	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-65.5	-14.9	-166.9	-24.1	35.5	0	0	0	116.7	A45	P43-A45 PolarHBondContact O-N 3.44Å; P43-A45 VanDerWaalsContact O-N 3.14Å
44	S	28.5	Very low	31.9	Very low	120 Å²	120	128.9 Å²	128.9	84%	0.839	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-77.3	6.7	-169.6	-45	0	0	0	0	115.6	S42	S42-S44 PolarHBondContact O-N 3.08Å
45	A	33.4	Very low	32	Very low	86 Å²	86	127.5 Å²	127.5	71%	0.711	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-101.1	0.8	-175.4	0	0	0	0	0	114.8	P43	P43-A45 PolarHBondContact O-N 3.44Å; P43-A45 VanDerWaalsContact O-N 3.14Å
46	L	33.4	Very low	32.2	Very low	158 Å²	158	130 Å²	130	83%	0.827	76%	0.76	S	S	*	*	S	Bend	trans	-118.1	24.2	-172.6	-64.3	178.3	0	0	0	114.4
47	L	36.6	Very low	33.2	Very low	164 Å²	164	129.5 Å²	129.5	86%	0.859	76%	0.76	S	S	*	*			trans	-120.3	79.7	170.6	-72.5	179.5	0	0	0	111
48	I	28.9	Very low	34.8	Very low	165 Å²	165	129.1 Å²	129.1	85%	0.846	75%	0.751	S	S	*	*	S	Bend	trans	-159.4	133.9	153.9	-95.9	143.7	0	0	0	106.3
49	D	28.5	Very low	37.1	Very low	146 Å²	146	127.5 Å²	127.5	78%	0.781	74%	0.738	S	S	*	*			trans	-76.3	138.3	-173.9	-52.9	-87.2	0	0	0	113.3
50	N	26.3	Very low	39.5	Very low	146 Å²	146	118 Å²	118	78%	0.781	70%	0.697	S	S	*	*				177.3	155.2	120.9	-96.5	-66.5	0	0	0	112.2
51	P	42.8	Very low	42.1	Very low	116 Å²	116	114.7 Å²	114.7	75%	0.753	67%	0.674	S	S	*	*			trans	-89.6	129.2	-177.5	33.8	-32	0	0	0	113
52	T	26.3	Very low	44.9	Very low	132 Å²	132	109.3 Å²	109.3	81%	0.81	64%	0.639	S	S	*	*			trans	-143.6	134.3	172.8	-7.2	0	0	0	0	114
53	S	31	Very low	47.6	Very low	103 Å²	103	107.8 Å²	107.8	72%	0.72	62%	0.624	S	S	*	*			trans	-20.8	137.6	174.2	53	0	0	0	0	120.5	G55	S53-G55 PolarHBondContact O-N 3.03Å
54	F	42.7	Very low	50	Low	220 Å²	220	106.9 Å²	106.9	97%	0.965	61%	0.607	S	S	*	*			trans	-61.3	99	156.7	-72.8	-98	0	0	0	110.7
55	G	34.2	Very low	52.5	Low	61 Å²	61	106 Å²	106	63%	0.629	59%	0.593	S	S	*	*			trans	-117	-26	-172.9	0	0	0	0	0	117.7	S53	S53-G55 PolarHBondContact O-N 3.03Å
56	N	42.2	Very low	54.6	Low	160 Å²	160	103.4 Å²	103.4	86%	0.856	57%	0.565	S	S	*	*			trans	-130.7	22.9	-159.8	-79.1	-23.6	0	0	0	115.7	K58	N56-K58 PolarHBondContact O-N 3.28Å
57	A	51.8	Low	56.5	Low	59 Å²	59	100.5 Å²	100.5	49%	0.488	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-67.3	127.8	173.1	0	0	0	0	0	110.4	V84	A57-V84 WeakPolarHBondContact CA-O 3.27Å
58	K	66.8	Low	58.1	Low	141 Å²	141	95 Å²	95	61%	0.613	53%	0.531	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	122	178.7	-73.3	-178.4	178.7	175.7	0	110.5	N56 V84	N56-K58 PolarHBondContact O-N 3.28Å; K58-V84 HydrophobicContact CB-CB 4.44Å; K58-V84 PolarHBondContact N-O 3.32Å; K58-V84 PolarHBondContact O-N 2.7Å
59	E	80.4	Confident	59.1	Low	48 Å²	48	93.9 Å²	93.9	22%	0.224	53%	0.532	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	130.2	174.5	-170.1	173	-151.6	0	0	111	H81 Y83 V112	E59-H81 IonicContact OE1-CE1 3.78Å; E59-H81 IonicContact OE1-CG 2.65Å; E59-H81 IonicContact OE1-ND1 2.81Å; E59-H81 PolarHBondContact OE1-ND1 3.46Å; E59-Y83 HydrophobicContact CB-CD1 4.06Å; E59-Y83 HydrophobicContact CB-CE1 3.83Å; E59-Y83 HydrophobicContact CG-CD1 4.17Å; E59-Y83 HydrophobicContact CG-CE1 3.62Å; E59-Y83 PolarHBondContact OE1-OH 2.9Å; E59-V112 HydrophobicContact CB-CG2 4.42Å; E59-V112 HydrophobicContact CG-CB 4.39Å; E59-V112 HydrophobicContact CG-CG2 3.9Å; E59-V112 PolarHBondContact O-N 2.99Å
60	V	80.7	Confident	60.3	Low	2 Å²	2	90.8 Å²	90.8	1%	0.012	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	144	179.6	-52.3	0	0	0	0	109.9	L82 V84 W93 I104 V109 Q110 P111	V60-L82 HydrophobicContact CG2-CB 3.94Å; V60-L82 PolarHBondContact N-O 3.45Å; V60-L82 PolarHBondContact O-N 2.74Å; V60-V84 HydrophobicContact CB-CG2 4.49Å; V60-V84 HydrophobicContact CG1-CG2 3.8Å; V60-V84 HydrophobicContact CG2-CG2 3.76Å; V60-W93 HydrophobicContact CG1-CZ3 4.41Å; V60-I104 HydrophobicContact CG2-CD1 4.46Å; V60-V109 HydrophobicContact CB-CB 3.99Å; V60-V109 HydrophobicContact CB-CG2 4.39Å; V60-V109 HydrophobicContact CG2-CB 3.63Å; V60-V109 HydrophobicContact CG2-CG1 3.81Å; V60-V109 HydrophobicContact CG2-CG2 3.95Å; V60-Q110 CarbonylContact C-O 3.53Å; V60-Q110 VanDerWaalsContact CA-O 3.3Å; V60-Q110 WeakPolarHBondContact CA-O 3.48Å; V60-P111 HydrophobicContact CG1-CB 4.42Å
61	I	86.1	Confident	61.4	Low	56 Å²	56	93 Å²	93	29%	0.287	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	136.3	174.7	-71.9	163.8	0	0	0	109.6	I63 D80 V109 Q110 V112	I61-I63 PolarHBondContact O-N 2.71Å; I61-D80 WeakPolarHBondContact CA-O 3.41Å; I61-V109 CarbonylContact O-C 3.57Å; I61-V109 VanDerWaalsContact O-CA 3.31Å; I61-V109 WeakPolarHBondContact O-CA 3.4Å; I61-Q110 PolarHBondContact N-O 2.81Å; I61-Q110 PolarHBondContact O-N 2.7Å; I61-V112 HydrophobicContact CB-CG2 4.45Å; I61-V112 HydrophobicContact CD1-CG2 3.66Å; I61-V112 HydrophobicContact CG1-CG2 3.6Å
62	A	85.8	Confident	62.8	Low	1 Å²	1	90.1 Å²	90.1	1%	0.008	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	120.6	172.3	0	0	0	0	0	112.2	F76 S77 K78 G79 D80 Y108	A62-F76 HydrophobicContact CB-CD2 3.39Å; A62-F76 HydrophobicContact CB-CE2 3.75Å; A62-F76 HydrophobicContact CB-CG 4.39Å; A62-S77 WeakPolarHBondContact CB-O 3.31Å; A62-K78 CarbonylContact O-C 3.57Å; A62-K78 WeakPolarHBondContact O-CA 3.23Å; A62-G79 PolarHBondContact O-N 2.96Å; A62-D80 HydrophobicContact CB-CB 4.38Å; A62-D80 PolarHBondContact N-O 2.89Å; A62-Y108 CarbonylContact C-O 3.52Å; A62-Y108 WeakPolarHBondContact CA-O 3.16Å
63	I	83.6	Confident	65.4	Low	61 Å²	61	84.8 Å²	84.8	31%	0.313	47%	0.466	S	S	.	.	S	Bend	trans	-92.1	-8.9	179.3	56.8	163.2	0	0	0	113.5	I61 K78 Y108 Q110	I61-I63 PolarHBondContact O-N 2.71Å; I63-K78 VanDerWaalsContact O-CD 3.27Å; I63-K78 WeakPolarHBondContact O-CD 3.34Å; I63-K78 VanDerWaalsContact O-CE 3.22Å; I63-K78 WeakPolarHBondContact O-CE 3.14Å; I63-Y108 VanDerWaalsContact CG1-C 3.49Å; I63-Y108 VanDerWaalsContact CG1-O 3.27Å; I63-Y108 WeakPolarHBondContact CG1-O 3.39Å; I63-Y108 PolarHBondContact N-O 3.17Å; I63-Q110 HydrophobicContact CG2-CB 3.75Å
64	K	79.4	Confident	67.8	Low	100 Å²	100	80 Å²	80	44%	0.435	43%	0.433	S	S	.	.	S	Bend	trans	-145.9	151.4	179.1	-68.3	171.4	-173.9	161.9	0	109.6	F76 Y108	K64-F76 WeakPolarHBondContact O-CE2 3.37Å; K64-Y108 HydrophobicContact CB-CD1 3.51Å; K64-Y108 HydrophobicContact CB-CE1 3.87Å; K64-Y108 HydrophobicContact CB-CG 4.26Å; K64-Y108 HydrophobicContact CD-CD1 3.92Å; K64-Y108 HydrophobicContact CD-CD2 4.48Å; K64-Y108 HydrophobicContact CD-CE1 3.84Å; K64-Y108 HydrophobicContact CD-CE2 4.43Å; K64-Y108 HydrophobicContact CD-CG 4.22Å; K64-Y108 HydrophobicContact CG-CD1 4.36Å
65	D	82.4	Confident	69.6	Low	100 Å²	100	75.4 Å²	75.4	54%	0.535	41%	0.412	S	S	.	.			trans	-69	141.6	169.1	-54.2	-72.3	0	0	0	110.8	S77 K78	D65-S77 VanDerWaalsContact OD1-CA 3.3Å; D65-S77 WeakPolarHBondContact OD1-CA 3.47Å; D65-S77 PolarHBondContact OD1-OG 3.48Å; D65-K78 PolarHBondContact OD1-N 3.14Å
66	Y	76.9	Confident	72	Confident	32 Å²	32	72.7 Å²	72.7	13%	0.125	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-134.4	111.4	175	-177.6	-94	0	0	0	110.9	P68 T73 L74 F76 W92 P105 Y108	Y66-P68 HydrophobicContact CE1-CB 3.93Å; Y66-T73 PolarHBondContact OH-OG1 3.39Å; Y66-L74 VanDerWaalsContact CD1-O 3.27Å; Y66-L74 WeakPolarHBondContact CD1-O 3.22Å; Y66-F76 HydrophobicContact CD1-CD1 4.34Å; Y66-F76 AromaticContact CD1-CE1 3.85Å; Y66-F76 HydrophobicContact CD1-CE1 3.85Å; Y66-F76 HydrophobicContact CD1-CZ 4.36Å; Y66-F76 AromaticContact CG-CE1 3.94Å; Y66-F76 HydrophobicContact CG-CE1 3.94Å; Y66-F76 AromaticContact CG-CZ 3.98Å; Y66-F76 HydrophobicContact CG-CZ 3.98Å; Y66-F76 PolarHBondContact N-O 2.94Å; Y66-F76 PolarHBondContact O-N 3.31Å; Y66-W92 HydrophobicContact CE2-CH2 4.36Å; Y66-P105 HydrophobicContact CD2-CG 4.03Å; Y66-P105 HydrophobicContact CE2-CG 4.09Å; Y66-Y108 HydrophobicContact CD2-CD1 4.29Å; Y66-Y108 HydrophobicContact CD2-CE1 4.22Å
67	C	72.4	Confident	74	Confident	97 Å²	97	67.7 Å²	67.7	66%	0.655	36%	0.361	S	S	*	.			trans	-97.7	114.8	172.1	-73.3	0	0	0	0	109.5
68	P	70.6	Confident	75.4	Confident	48 Å²	48	71.7 Å²	71.7	31%	0.312	37%	0.367	S	S	.	.			trans	-71.8	137.4	-174.9	28.3	-35.2	0	0	0	111.9	Y66 T73 K75	Y66-P68 HydrophobicContact CE1-CB 3.93Å; P68-T73 WeakPolarHBondContact CB-O 3.47Å; P68-T73 VanDerWaalsContact CB-OG1 3.22Å; P68-T73 WeakPolarHBondContact CB-OG1 3.34Å; P68-K75 HydrophobicContact CG-CB 3.9Å
69	T	49.9	Very low	75.9	Confident	142 Å²	142	67 Å²	67	87%	0.871	36%	0.359	S	S	*	.	S	Bend	trans	-95	-3.3	170.2	52	0	0	0	0	112.9
70	N	53.4	Low	76.1	Confident	81 Å²	81	67.7 Å²	67.7	43%	0.433	36%	0.364	S	S	.	.	S	Bend	trans	-140.9	149.2	-173.9	-167.9	11.1	0	0	0	111.1	T72 T73	N70-T72 PolarHBondContact ND2-OG1 3.05Å; N70-T72 PolarHBondContact O-N 2.72Å; N70-T72 VanDerWaalsContact O-N 3.07Å; N70-T73 PolarHBondContact O-N 3.21Å; N70-T73 PolarHBondContact O-OG1 3.29Å
71	F	51	Low	76.2	Confident	192 Å²	192	71.8 Å²	71.8	84%	0.842	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-1	-172.8	68.3	-88.8	0	0	0	114.9
72	T	71.9	Confident	76.1	Confident	57 Å²	57	69.1 Å²	69.1	35%	0.35	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-9.7	-179.8	58.8	0	0	0	0	113.4	N70 Y103	N70-T72 PolarHBondContact ND2-OG1 3.05Å; N70-T72 PolarHBondContact O-N 2.72Å; N70-T72 VanDerWaalsContact O-N 3.07Å; T72-Y103 PolarHBondContact O-N 3.19Å
73	T	79.4	Confident	76.1	Confident	19 Å²	19	72.7 Å²	72.7	12%	0.117	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-107.4	138.8	-178.1	54.4	0	0	0	0	111.5	Y66 P68 N70 W92 Y103	Y66-T73 PolarHBondContact OH-OG1 3.39Å; P68-T73 WeakPolarHBondContact CB-O 3.47Å; P68-T73 VanDerWaalsContact CB-OG1 3.22Å; P68-T73 WeakPolarHBondContact CB-OG1 3.34Å; N70-T73 PolarHBondContact O-N 3.21Å; N70-T73 PolarHBondContact O-OG1 3.29Å; T73-W92 HydrophobicContact CG2-CE3 4.13Å; T73-W92 HydrophobicContact CG2-CH2 4.25Å; T73-W92 HydrophobicContact CG2-CZ3 3.51Å; T73-Y103 CarbonylContact C-O 3.58Å; T73-Y103 WeakPolarHBondContact CA-O 3.23Å; T73-Y103 VanDerWaalsContact CB-O 3.3Å; T73-Y103 WeakPolarHBondContact CB-O 3.41Å
74	L	81.4	Confident	76.1	Confident	4 Å²	4	70 Å²	70	2%	0.021	37%	0.37	C	S	.	.			trans	-74.5	141.2	-175.4	-169.4	73.2	0	0	0	110.2	Y66 L82 N97 E100 Y103 I104	Y66-L74 VanDerWaalsContact CD1-O 3.27Å; Y66-L74 WeakPolarHBondContact CD1-O 3.22Å; L74-L82 HydrophobicContact CD2-CD2 3.78Å; L74-N97 HydrophobicContact CD2-CB 4.26Å; L74-E100 HydrophobicContact CD1-CB 3.58Å; L74-Y103 PolarHBondContact N-O 3.47Å; L74-I104 HydrophobicContact CB-CG2 3.77Å; L74-I104 HydrophobicContact CD2-CG2 4.03Å
75	K	82.4	Confident	76	Confident	123 Å²	123	69.1 Å²	69.1	54%	0.535	37%	0.369	S	S	.	.			trans	-84.9	133.7	167.7	-172.7	-179.4	174.5	-170.6	0	110.1	P68	P68-K75 HydrophobicContact CG-CB 3.9Å
76	F	83.4	Confident	75.6	Confident	3 Å²	3	67.7 Å²	67.7	1%	0.013	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-152.4	152.8	174	58.9	-94.3	0	0	0	111.6	A62 K64 Y66 D80 L82 I104	A62-F76 HydrophobicContact CB-CD2 3.39Å; A62-F76 HydrophobicContact CB-CE2 3.75Å; A62-F76 HydrophobicContact CB-CG 4.39Å; K64-F76 WeakPolarHBondContact O-CE2 3.37Å; Y66-F76 HydrophobicContact CD1-CD1 4.34Å; Y66-F76 AromaticContact CD1-CE1 3.85Å; Y66-F76 HydrophobicContact CD1-CE1 3.85Å; Y66-F76 HydrophobicContact CD1-CZ 4.36Å; Y66-F76 AromaticContact CG-CE1 3.94Å; Y66-F76 HydrophobicContact CG-CE1 3.94Å; Y66-F76 AromaticContact CG-CZ 3.98Å; Y66-F76 HydrophobicContact CG-CZ 3.98Å; Y66-F76 PolarHBondContact N-O 2.94Å; Y66-F76 PolarHBondContact O-N 3.31Å; F76-D80 WeakPolarHBondContact CA-OD2 3.44Å; F76-D80 HydrophobicContact CB-CB 4.29Å; F76-L82 HydrophobicContact CB-CD1 4.09Å; F76-L82 HydrophobicContact CB-CD2 4.31Å; F76-L82 HydrophobicContact CD1-CD1 3.91Å; F76-L82 HydrophobicContact CD2-CD1 4.22Å; F76-L82 HydrophobicContact CE1-CD1 4.37Å; F76-L82 HydrophobicContact CG-CD1 3.82Å; F76-I104 HydrophobicContact CD1-CG2 3.85Å; F76-I104 HydrophobicContact CE1-CB 3.88Å; F76-I104 HydrophobicContact CE1-CG2 3.48Å; F76-I104 VanDerWaalsContact CE1-CG2 3.48Å; F76-I104 HydrophobicContact CZ-CB 4.46Å; F76-I104 HydrophobicContact CZ-CG2 4.45Å
77	S	84.6	Confident	75.3	Confident	56 Å²	56	69.4 Å²	69.4	39%	0.392	38%	0.375	S	S	.	.			trans	-103.3	158.8	174.9	-86.1	0	0	0	0	111.5	A62 D65 G79 D80	A62-S77 WeakPolarHBondContact CB-O 3.31Å; D65-S77 VanDerWaalsContact OD1-CA 3.3Å; D65-S77 WeakPolarHBondContact OD1-CA 3.47Å; D65-S77 PolarHBondContact OD1-OG 3.48Å; S77-G79 PolarHBondContact O-N 3.25Å; S77-D80 PolarHBondContact N-OD2 2.87Å; S77-D80 WeakPolarHBondContact O-CB 3.32Å; S77-D80 VanDerWaalsContact O-CG 3.32Å; S77-D80 PolarHBondContact O-N 3.21Å; S77-D80 VanDerWaalsContact O-N 3.07Å
78	K	81.9	Confident	74.8	Confident	142 Å²	142	69.1 Å²	69.1	62%	0.617	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	120.9	175.1	179.8	175	-179.2	175	0	110.4	A62 I63 D65	A62-K78 CarbonylContact O-C 3.57Å; A62-K78 WeakPolarHBondContact O-CA 3.23Å; I63-K78 VanDerWaalsContact O-CD 3.27Å; I63-K78 WeakPolarHBondContact O-CD 3.34Å; I63-K78 VanDerWaalsContact O-CE 3.22Å; I63-K78 WeakPolarHBondContact O-CE 3.14Å; D65-K78 PolarHBondContact OD1-N 3.14Å
79	G	77.3	Confident	74.2	Confident	42 Å²	42	67.9 Å²	67.9	43%	0.433	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	106.6	-12.5	-174.6	0	0	0	0	0	114.2	A62 S77	A62-G79 PolarHBondContact O-N 2.96Å; S77-G79 PolarHBondContact O-N 3.25Å
80	D	83.6	Confident	75.2	Confident	64 Å²	64	63.3 Å²	63.3	34%	0.342	35%	0.352	S	S	.	.			trans	-65.9	136.1	178.2	-70.8	-6	0	0	0	111.5	I61 A62 F76 S77	I61-D80 WeakPolarHBondContact CA-O 3.41Å; A62-D80 HydrophobicContact CB-CB 4.38Å; A62-D80 PolarHBondContact N-O 2.89Å; F76-D80 WeakPolarHBondContact CA-OD2 3.44Å; F76-D80 HydrophobicContact CB-CB 4.29Å; S77-D80 PolarHBondContact N-OD2 2.87Å; S77-D80 WeakPolarHBondContact O-CB 3.32Å; S77-D80 VanDerWaalsContact O-CG 3.32Å; S77-D80 PolarHBondContact O-N 3.21Å; S77-D80 VanDerWaalsContact O-N 3.07Å
81	H	83.5	Confident	76.1	Confident	87 Å²	87	63.9 Å²	63.9	40%	0.403	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	126.8	171.1	-76.4	-126.4	0	0	0	109.9	E59	E59-H81 IonicContact OE1-CE1 3.78Å; E59-H81 IonicContact OE1-CG 2.65Å; E59-H81 IonicContact OE1-ND1 2.81Å; E59-H81 PolarHBondContact OE1-ND1 3.46Å
82	L	84.3	Confident	77.4	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	143.1	-177	-57.8	177.1	0	0	0	110.1	V60 L74 F76 N97 I104 V109	V60-L82 HydrophobicContact CG2-CB 3.94Å; V60-L82 PolarHBondContact N-O 3.45Å; V60-L82 PolarHBondContact O-N 2.74Å; L74-L82 HydrophobicContact CD2-CD2 3.78Å; F76-L82 HydrophobicContact CB-CD1 4.09Å; F76-L82 HydrophobicContact CB-CD2 4.31Å; F76-L82 HydrophobicContact CD1-CD1 3.91Å; F76-L82 HydrophobicContact CD2-CD1 4.22Å; F76-L82 HydrophobicContact CE1-CD1 4.37Å; F76-L82 HydrophobicContact CG-CD1 3.82Å; L82-N97 HydrophobicContact CD2-CB 3.64Å; L82-I104 HydrophobicContact CD1-CD1 4.1Å; L82-I104 HydrophobicContact CD1-CG2 4.31Å; L82-V109 HydrophobicContact CD1-CG1 3.95Å
83	Y	85.6	Confident	77.9	Confident	77 Å²	77	57.6 Å²	57.6	30%	0.302	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	112.5	-178.9	-62.8	-75.5	0	0	0	109.9	E59 A95 H96	E59-Y83 HydrophobicContact CB-CD1 4.06Å; E59-Y83 HydrophobicContact CB-CE1 3.83Å; E59-Y83 HydrophobicContact CG-CD1 4.17Å; E59-Y83 HydrophobicContact CG-CE1 3.62Å; E59-Y83 PolarHBondContact OE1-OH 2.9Å; Y83-A95 CarbonylContact O-C 3.6Å; Y83-A95 WeakPolarHBondContact O-CA 3.46Å; Y83-A95 WeakPolarHBondContact O-CB 3.47Å; Y83-H96 WeakPolarHBondContact CB-NE2 3.12Å; Y83-H96 AromaticContact CD2-CE1 3.68Å; Y83-H96 PolarHBondContact N-O 2.83Å; Y83-H96 PolarHBondContact O-N 3.4Å
84	V	82.4	Confident	77.8	Confident	5 Å²	5	60 Å²	60	3%	0.03	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	122.2	-178.1	-176.1	0	0	0	0	109.9	A57 K58 V60 T87 W93 A95 I104	A57-V84 WeakPolarHBondContact CA-O 3.27Å; K58-V84 HydrophobicContact CB-CB 4.44Å; K58-V84 PolarHBondContact N-O 3.32Å; K58-V84 PolarHBondContact O-N 2.7Å; V60-V84 HydrophobicContact CB-CG2 4.49Å; V60-V84 HydrophobicContact CG1-CG2 3.8Å; V60-V84 HydrophobicContact CG2-CG2 3.76Å; V84-T87 HydrophobicContact CG1-CG2 3.63Å; V84-W93 HydrophobicContact CG1-CB 3.92Å; V84-W93 HydrophobicContact CG1-CD2 4.43Å; V84-W93 HydrophobicContact CG1-CE3 4.27Å; V84-W93 HydrophobicContact CG1-CG 4.34Å; V84-W93 HydrophobicContact CG2-CE3 3.91Å; V84-A95 HydrophobicContact CG2-CB 4.32Å; V84-I104 HydrophobicContact CG2-CD1 4.43Å
85	L	78.7	Confident	78	Confident	81 Å²	81	59.9 Å²	59.9	42%	0.424	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-34.4	179.6	-63.3	174.8	0	0	0	112.2	Y94 M101	L85-Y94 HydrophobicContact CB-CD1 4.33Å; L85-Y94 HydrophobicContact CD1-CD1 4.12Å; L85-Y94 HydrophobicContact CD1-CE1 4.19Å; L85-Y94 PolarHBondContact N-O 3.13Å; L85-M101 HydrophobicContact CD1-SD 4.44Å
86	D	72.4	Confident	77.8	Confident	69 Å²	69	56.6 Å²	56.6	37%	0.369	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	133.4	176.8	-174.9	17.7	0	0	0	112	S88 W93 Y94	D86-S88 VanDerWaalsContact CG-OG 3.28Å; D86-S88 WeakPolarHBondContact OD1-CB 3.03Å; D86-S88 PolarHBondContact OD1-N 3.21Å; D86-S88 PolarHBondContact OD1-OG 3.33Å; D86-S88 WeakPolarHBondContact OD2-CB 3.41Å; D86-S88 PolarHBondContact OD2-OG 2.74Å; D86-W93 CarbonylContact O-C 3.6Å; D86-W93 WeakPolarHBondContact O-CA 3.48Å; D86-Y94 PolarHBondContact N-O 2.9Å; D86-Y94 PolarHBondContact O-N 2.8Å
87	T	72.1	Confident	77.6	Confident	69 Å²	69	57.6 Å²	57.6	42%	0.423	31%	0.314	S	S	.	.			trans	-108.1	4.5	175.4	58.2	0	0	0	0	113.2	V84 G89 G90 W93	V84-T87 HydrophobicContact CG1-CG2 3.63Å; T87-G89 PolarHBondContact O-N 2.55Å; T87-G90 PolarHBondContact O-N 3.13Å; T87-G90 VanDerWaalsContact O-N 3.16Å; T87-W93 HydrophobicContact CG2-CD2 3.88Å; T87-W93 HydrophobicContact CG2-CE3 4.43Å; T87-W93 HydrophobicContact CG2-CG 4Å; T87-W93 HydrophobicContact CG2-CZ2 4.48Å
88	S	62.1	Low	76.9	Confident	91 Å²	91	61.4 Å²	61.4	64%	0.636	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-27.1	-175.1	73	0	0	0	0	114.1	D86 G90	D86-S88 VanDerWaalsContact CG-OG 3.28Å; D86-S88 WeakPolarHBondContact OD1-CB 3.03Å; D86-S88 PolarHBondContact OD1-N 3.21Å; D86-S88 PolarHBondContact OD1-OG 3.33Å; D86-S88 WeakPolarHBondContact OD2-CB 3.41Å; D86-S88 PolarHBondContact OD2-OG 2.74Å; S88-G90 PolarHBondContact O-N 2.95Å
89	G	56.7	Low	76.1	Confident	21 Å²	21	60.3 Å²	60.3	22%	0.216	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	7.3	177.3	0	0	0	0	0	115.8	T87 E91 W92	T87-G89 PolarHBondContact O-N 2.55Å; G89-E91 PolarHBondContact O-N 2.84Å; G89-W92 CarbonylContact C-O 3.57Å; G89-W92 VanDerWaalsContact CA-O 3.27Å; G89-W92 WeakPolarHBondContact CA-O 3.36Å; G89-W92 PolarHBondContact O-N 2.94Å; G89-W92 VanDerWaalsContact O-N 3.15Å
90	G	70.4	Confident	76	Confident	47 Å²	47	63.4 Å²	63.4	49%	0.485	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	-86.8	170.3	0	0	0	0	0	114.3	T87 S88 W93 S106	T87-G90 PolarHBondContact O-N 3.13Å; T87-G90 VanDerWaalsContact O-N 3.16Å; S88-G90 PolarHBondContact O-N 2.95Å; G90-W93 PolarHBondContact O-NE1 2.98Å; G90-S106 PolarHBondContact O-OG 3.44Å
91	E	72.7	Confident	75.7	Confident	93 Å²	93	66.3 Å²	66.3	44%	0.435	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-21.6	175.2	-64.6	-172.9	161.4	0	0	113.2	N33 G89 P105 S106	N33-E91 VanDerWaalsContact CB-OE2 3.29Å; N33-E91 WeakPolarHBondContact CB-OE2 3.26Å; N33-E91 PolarHBondContact ND2-OE1 2.98Å; G89-E91 PolarHBondContact O-N 2.84Å; E91-P105 WeakPolarHBondContact O-CA 3.46Å; E91-S106 PolarHBondContact O-N 3.41Å; E91-S106 PolarHBondContact O-OG 2.69Å
92	W	79.1	Confident	75.6	Confident	59 Å²	59	62.4 Å²	62.4	22%	0.223	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	118.4	177.9	-69.5	82.4	0	0	0	110	L35 Y66 T73 G89 I104 P105	L35-W92 HydrophobicContact CD1-CD2 3.94Å; L35-W92 HydrophobicContact CD1-CG 3.97Å; L35-W92 HydrophobicContact CD1-CZ2 4.36Å; Y66-W92 HydrophobicContact CE2-CH2 4.36Å; T73-W92 HydrophobicContact CG2-CE3 4.13Å; T73-W92 HydrophobicContact CG2-CH2 4.25Å; T73-W92 HydrophobicContact CG2-CZ3 3.51Å; G89-W92 CarbonylContact C-O 3.57Å; G89-W92 VanDerWaalsContact CA-O 3.27Å; G89-W92 WeakPolarHBondContact CA-O 3.36Å; G89-W92 PolarHBondContact O-N 2.94Å; G89-W92 VanDerWaalsContact O-N 3.15Å; W92-I104 WeakPolarHBondContact CA-O 3.44Å; W92-P105 HydrophobicContact CD2-CB 4.35Å; W92-P105 HydrophobicContact CE3-CB 4.2Å; W92-P105 HydrophobicContact CH2-CB 3.92Å; W92-P105 HydrophobicContact CH2-CG 4Å; W92-P105 HydrophobicContact CZ2-CB 4.05Å; W92-P105 HydrophobicContact CZ3-CB 3.99Å; W92-P105 HydrophobicContact CZ3-CG 3.99Å
93	W	82.1	Confident	75.6	Confident	58 Å²	58	67 Å²	67	22%	0.22	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	146.9	179.4	-61.8	-12	0	0	0	109.7	V60 V84 D86 T87 G90 Y103 I104 V109	V60-W93 HydrophobicContact CG1-CZ3 4.41Å; V84-W93 HydrophobicContact CG1-CB 3.92Å; V84-W93 HydrophobicContact CG1-CD2 4.43Å; V84-W93 HydrophobicContact CG1-CE3 4.27Å; V84-W93 HydrophobicContact CG1-CG 4.34Å; V84-W93 HydrophobicContact CG2-CE3 3.91Å; D86-W93 CarbonylContact O-C 3.6Å; D86-W93 WeakPolarHBondContact O-CA 3.48Å; T87-W93 HydrophobicContact CG2-CD2 3.88Å; T87-W93 HydrophobicContact CG2-CE3 4.43Å; T87-W93 HydrophobicContact CG2-CG 4Å; T87-W93 HydrophobicContact CG2-CZ2 4.48Å; G90-W93 PolarHBondContact O-NE1 2.98Å; W93-Y103 CarbonylContact O-C 3.33Å; W93-Y103 WeakPolarHBondContact O-CA 3.45Å; W93-I104 HydrophobicContact CB-CG1 4.18Å; W93-I104 PolarHBondContact N-O 3.47Å; W93-I104 WeakPolarHBondContact O-CG1 3.37Å; W93-I104 PolarHBondContact O-N 3.45Å; W93-V109 HydrophobicContact CE3-CG2 4.06Å; W93-V109 HydrophobicContact CZ3-CG2 3.95Å
94	Y	78.2	Confident	75.5	Confident	70 Å²	70	63.3 Å²	63.3	28%	0.275	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	123.3	172.7	-164.6	-108.5	0	0	0	109.3	L85 D86 M101 Y103	L85-Y94 HydrophobicContact CB-CD1 4.33Å; L85-Y94 HydrophobicContact CD1-CD1 4.12Å; L85-Y94 HydrophobicContact CD1-CE1 4.19Å; L85-Y94 PolarHBondContact N-O 3.13Å; D86-Y94 PolarHBondContact N-O 2.9Å; D86-Y94 PolarHBondContact O-N 2.8Å; Y94-M101 HydrophobicContact CE1-CB 4.41Å; Y94-M101 WeakPolarHBondContact OH-CB 3.36Å; Y94-Y103 AromaticContact CD2-CD1 3.97Å; Y94-Y103 HydrophobicContact CD2-CD1 3.97Å; Y94-Y103 AromaticContact CD2-CD2 3.89Å; Y94-Y103 HydrophobicContact CD2-CD2 3.89Å; Y94-Y103 AromaticContact CD2-CE1 3.87Å; Y94-Y103 HydrophobicContact CD2-CE1 3.87Å; Y94-Y103 AromaticContact CD2-CE2 3.79Å; Y94-Y103 HydrophobicContact CD2-CE2 3.79Å; Y94-Y103 AromaticContact CD2-CG 3.98Å; Y94-Y103 HydrophobicContact CD2-CG 3.98Å; Y94-Y103 AromaticContact CD2-CZ 3.78Å; Y94-Y103 HydrophobicContact CE2-CD2 4.26Å; Y94-Y103 HydrophobicContact CE2-CE2 4.15Å; Y94-Y103 HydrophobicContact CG-CE1 4.35Å
95	A	84	Confident	75.6	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	165.3	-173.3	0	0	0	0	0	112.1	Y83 V84 M101 G102 I104	Y83-A95 CarbonylContact O-C 3.6Å; Y83-A95 WeakPolarHBondContact O-CA 3.46Å; Y83-A95 WeakPolarHBondContact O-CB 3.47Å; V84-A95 HydrophobicContact CG2-CB 4.32Å; A95-M101 WeakPolarHBondContact O-CA 3.28Å; A95-G102 PolarHBondContact N-O 2.88Å; A95-G102 PolarHBondContact O-N 3.06Å; A95-I104 HydrophobicContact CB-CD1 3.54Å; A95-I104 HydrophobicContact CB-CG1 3.84Å; A95-I104 HydrophobicContact CB-CG2 4.4Å
96	H	78.6	Confident	75.7	Confident	55 Å²	55	60.9 Å²	60.9	26%	0.255	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	149.9	170.6	73.9	92.4	0	0	0	112.2	Y83 E100 M101	Y83-H96 WeakPolarHBondContact CB-NE2 3.12Å; Y83-H96 AromaticContact CD2-CE1 3.68Å; Y83-H96 PolarHBondContact N-O 2.83Å; Y83-H96 PolarHBondContact O-N 3.4Å; H96-E100 VanDerWaalsContact CA-O 3.29Å; H96-E100 WeakPolarHBondContact CA-O 3.43Å; H96-E100 WeakPolarHBondContact CB-O 3.49Å; H96-M101 HydrophobicContact CB-CB 4.23Å; H96-M101 HydrophobicContact CB-CG 3.68Å; H96-M101 HydrophobicContact CB-SD 4.39Å
97	N	79.9	Confident	76.1	Confident	23 Å²	23	61.2 Å²	61.2	12%	0.123	34%	0.342	C	S	.	.			trans	-95.7	-160.5	160.2	65.9	27.8	0	0	0	108.6	L74 L82 T99 E100	L74-N97 HydrophobicContact CD2-CB 4.26Å; L82-N97 HydrophobicContact CD2-CB 3.64Å; N97-T99 VanDerWaalsContact C-N 3.27Å; N97-T99 PolarHBondContact O-N 3.42Å; N97-T99 PolarHBondContact OD1-N 2.84Å; N97-T99 PolarHBondContact OD1-OG1 2.95Å; N97-E100 PolarHBondContact N-O 3.37Å; N97-E100 PolarHBondContact OD1-N 3Å; N97-E100 PolarHBondContact OD1-O 2.7Å
98	T	69.9	Low	76.5	Confident	136 Å²	136	61.5 Å²	61.5	83%	0.834	34%	0.335	S	S	*	.	S	Bend	trans	-75.8	-7.3	179.9	44.7	0	0	0	0	114.7
99	T	64.9	Low	77.5	Confident	119 Å²	119	57.7 Å²	57.7	73%	0.73	31%	0.308	S	S	*	.	S	Bend	trans	-137.2	-22.3	-173	50.2	0	0	0	0	115.5	N97	N97-T99 VanDerWaalsContact C-N 3.27Å; N97-T99 PolarHBondContact O-N 3.42Å; N97-T99 PolarHBondContact OD1-N 2.84Å; N97-T99 PolarHBondContact OD1-OG1 2.95Å
100	E	74	Confident	78.5	Confident	107 Å²	107	62.4 Å²	62.4	50%	0.5	33%	0.325	S	S	.	.			trans	-141.6	157.7	-168.8	-63.7	-175.9	161.8	0	0	111.8	L74 H96 N97	L74-E100 HydrophobicContact CD1-CB 3.58Å; H96-E100 VanDerWaalsContact CA-O 3.29Å; H96-E100 WeakPolarHBondContact CA-O 3.43Å; H96-E100 WeakPolarHBondContact CB-O 3.49Å; N97-E100 PolarHBondContact N-O 3.37Å; N97-E100 PolarHBondContact OD1-N 3Å; N97-E100 PolarHBondContact OD1-O 2.7Å
101	M	78.6	Confident	78.8	Confident	126 Å²	126	63.7 Å²	63.7	62%	0.621	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.3	136.7	178.4	-49.2	-165.1	-72.5	0	0	110.9	L85 Y94 A95 H96	L85-M101 HydrophobicContact CD1-SD 4.44Å; Y94-M101 HydrophobicContact CE1-CB 4.41Å; Y94-M101 WeakPolarHBondContact OH-CB 3.36Å; A95-M101 WeakPolarHBondContact O-CA 3.28Å; H96-M101 HydrophobicContact CB-CB 4.23Å; H96-M101 HydrophobicContact CB-CG 3.68Å; H96-M101 HydrophobicContact CB-SD 4.39Å
102	G	81.8	Confident	78.7	Confident	4 Å²	4	61 Å²	61	4%	0.041	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.5	174.5	-176.6	0	0	0	0	0	113.8	A95	A95-G102 PolarHBondContact N-O 2.88Å; A95-G102 PolarHBondContact O-N 3.06Å
103	Y	83.1	Confident	77.1	Confident	96 Å²	96	65.1 Å²	65.1	38%	0.376	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	139.2	174.1	-71.7	-81.6	0	0	0	111.5	T72 T73 L74 W93 Y94	T72-Y103 PolarHBondContact O-N 3.19Å; T73-Y103 CarbonylContact C-O 3.58Å; T73-Y103 WeakPolarHBondContact CA-O 3.23Å; T73-Y103 VanDerWaalsContact CB-O 3.3Å; T73-Y103 WeakPolarHBondContact CB-O 3.41Å; L74-Y103 PolarHBondContact N-O 3.47Å; W93-Y103 CarbonylContact O-C 3.33Å; W93-Y103 WeakPolarHBondContact O-CA 3.45Å; Y94-Y103 AromaticContact CD2-CD1 3.97Å; Y94-Y103 HydrophobicContact CD2-CD1 3.97Å; Y94-Y103 AromaticContact CD2-CD2 3.89Å; Y94-Y103 HydrophobicContact CD2-CD2 3.89Å; Y94-Y103 AromaticContact CD2-CE1 3.87Å; Y94-Y103 HydrophobicContact CD2-CE1 3.87Å; Y94-Y103 AromaticContact CD2-CE2 3.79Å; Y94-Y103 HydrophobicContact CD2-CE2 3.79Å; Y94-Y103 AromaticContact CD2-CG 3.98Å; Y94-Y103 HydrophobicContact CD2-CG 3.98Å; Y94-Y103 AromaticContact CD2-CZ 3.78Å; Y94-Y103 HydrophobicContact CE2-CD2 4.26Å; Y94-Y103 HydrophobicContact CE2-CE2 4.15Å; Y94-Y103 HydrophobicContact CG-CE1 4.35Å
104	I	84	Confident	75.2	Confident	0 Å²	0	71 Å²	71	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143.7	174.9	59.2	168.1	0	0	0	110.2	V60 L74 F76 L82 V84 W92 W93 A95 V109	V60-I104 HydrophobicContact CG2-CD1 4.46Å; L74-I104 HydrophobicContact CB-CG2 3.77Å; L74-I104 HydrophobicContact CD2-CG2 4.03Å; F76-I104 HydrophobicContact CD1-CG2 3.85Å; F76-I104 HydrophobicContact CE1-CB 3.88Å; F76-I104 HydrophobicContact CE1-CG2 3.48Å; F76-I104 VanDerWaalsContact CE1-CG2 3.48Å; F76-I104 HydrophobicContact CZ-CB 4.46Å; F76-I104 HydrophobicContact CZ-CG2 4.45Å; L82-I104 HydrophobicContact CD1-CD1 4.1Å; L82-I104 HydrophobicContact CD1-CG2 4.31Å; V84-I104 HydrophobicContact CG2-CD1 4.43Å; W92-I104 WeakPolarHBondContact CA-O 3.44Å; W93-I104 HydrophobicContact CB-CG1 4.18Å; W93-I104 PolarHBondContact N-O 3.47Å; W93-I104 WeakPolarHBondContact O-CG1 3.37Å; W93-I104 PolarHBondContact O-N 3.45Å; A95-I104 HydrophobicContact CB-CD1 3.54Å; A95-I104 HydrophobicContact CB-CG1 3.84Å; A95-I104 HydrophobicContact CB-CG2 4.4Å; I104-V109 HydrophobicContact CD1-CG1 3.9Å; I104-V109 HydrophobicContact CD1-CG2 4.07Å
105	P	84.4	Confident	72.9	Confident	7 Å²	7	78.5 Å²	78.5	5%	0.045	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	125.7	172	26	-24.7	0	0	0	109.6	Y66 E91 W92 S107 Y108	Y66-P105 HydrophobicContact CD2-CG 4.03Å; Y66-P105 HydrophobicContact CE2-CG 4.09Å; E91-P105 WeakPolarHBondContact O-CA 3.46Å; W92-P105 HydrophobicContact CD2-CB 4.35Å; W92-P105 HydrophobicContact CE3-CB 4.2Å; W92-P105 HydrophobicContact CH2-CB 3.92Å; W92-P105 HydrophobicContact CH2-CG 4Å; W92-P105 HydrophobicContact CZ2-CB 4.05Å; W92-P105 HydrophobicContact CZ3-CB 3.99Å; W92-P105 HydrophobicContact CZ3-CG 3.99Å; P105-S107 PolarHBondContact O-N 2.84Å; P105-Y108 HydrophobicContact CB-CD2 3.99Å; P105-Y108 HydrophobicContact CG-CD2 3.65Å; P105-Y108 HydrophobicContact CG-CE2 4.28Å; P105-Y108 HydrophobicContact CG-CG 3.82Å; P105-Y108 PolarHBondContact O-N 3.3Å
106	S	79.8	Confident	70.2	Confident	28 Å²	28	86 Å²	86	20%	0.196	43%	0.432	C	S	.	.	G	3₁₀ helix	trans	-62.4	-28.1	-175.3	62.8	0	0	0	0	112.9	G90 E91 Y108 V109	G90-S106 PolarHBondContact O-OG 3.44Å; E91-S106 PolarHBondContact O-N 3.41Å; E91-S106 PolarHBondContact O-OG 2.69Å; S106-Y108 PolarHBondContact O-N 3.07Å; S106-Y108 VanDerWaalsContact O-N 3.17Å; S106-V109 WeakPolarHBondContact O-CG2 3.45Å; S106-V109 PolarHBondContact O-N 2.74Å
107	S	81.1	Confident	68	Low	77 Å²	77	88.9 Å²	88.9	54%	0.538	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-72.1	2.3	174.6	60.4	0	0	0	0	115.4	P105	P105-S107 PolarHBondContact O-N 2.84Å
108	Y	80.9	Confident	65.5	Low	74 Å²	74	93.1 Å²	93.1	29%	0.29	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-111.2	0.3	175	-77.7	-121.4	0	0	0	112.8	A62 I63 K64 Y66 P105 S106	A62-Y108 CarbonylContact C-O 3.52Å; A62-Y108 WeakPolarHBondContact CA-O 3.16Å; I63-Y108 VanDerWaalsContact CG1-C 3.49Å; I63-Y108 VanDerWaalsContact CG1-O 3.27Å; I63-Y108 WeakPolarHBondContact CG1-O 3.39Å; I63-Y108 PolarHBondContact N-O 3.17Å; K64-Y108 HydrophobicContact CB-CD1 3.51Å; K64-Y108 HydrophobicContact CB-CE1 3.87Å; K64-Y108 HydrophobicContact CB-CG 4.26Å; K64-Y108 HydrophobicContact CD-CD1 3.92Å; K64-Y108 HydrophobicContact CD-CD2 4.48Å; K64-Y108 HydrophobicContact CD-CE1 3.84Å; K64-Y108 HydrophobicContact CD-CE2 4.43Å; K64-Y108 HydrophobicContact CD-CG 4.22Å; K64-Y108 HydrophobicContact CG-CD1 4.36Å; Y66-Y108 HydrophobicContact CD2-CD1 4.29Å; Y66-Y108 HydrophobicContact CD2-CE1 4.22Å; P105-Y108 HydrophobicContact CB-CD2 3.99Å; P105-Y108 HydrophobicContact CG-CD2 3.65Å; P105-Y108 HydrophobicContact CG-CE2 4.28Å; P105-Y108 HydrophobicContact CG-CG 3.82Å; P105-Y108 PolarHBondContact O-N 3.3Å; S106-Y108 PolarHBondContact O-N 3.07Å; S106-Y108 VanDerWaalsContact O-N 3.17Å
109	V	82.4	Confident	63.8	Low	11 Å²	11	94.3 Å²	94.3	7%	0.067	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	155.6	-179.3	-70.4	0	0	0	0	112.5	V60 I61 L82 W93 I104 S106	V60-V109 HydrophobicContact CB-CB 3.99Å; V60-V109 HydrophobicContact CB-CG2 4.39Å; V60-V109 HydrophobicContact CG2-CB 3.63Å; V60-V109 HydrophobicContact CG2-CG1 3.81Å; V60-V109 HydrophobicContact CG2-CG2 3.95Å; I61-V109 CarbonylContact O-C 3.57Å; I61-V109 VanDerWaalsContact O-CA 3.31Å; I61-V109 WeakPolarHBondContact O-CA 3.4Å; L82-V109 HydrophobicContact CD1-CG1 3.95Å; W93-V109 HydrophobicContact CE3-CG2 4.06Å; W93-V109 HydrophobicContact CZ3-CG2 3.95Å; I104-V109 HydrophobicContact CD1-CG1 3.9Å; I104-V109 HydrophobicContact CD1-CG2 4.07Å; S106-V109 WeakPolarHBondContact O-CG2 3.45Å; S106-V109 PolarHBondContact O-N 2.74Å
110	Q	78.4	Confident	62	Low	121 Å²	121	95.1 Å²	95.1	57%	0.565	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.7	133.3	178.7	-171.5	173.7	-1.5	0	0	110.5	V60 I61 I63	V60-Q110 CarbonylContact C-O 3.53Å; V60-Q110 VanDerWaalsContact CA-O 3.3Å; V60-Q110 WeakPolarHBondContact CA-O 3.48Å; I61-Q110 PolarHBondContact N-O 2.81Å; I61-Q110 PolarHBondContact O-N 2.7Å; I63-Q110 HydrophobicContact CG2-CB 3.75Å
111	P	76.7	Confident	59.9	Low	73 Å²	73	96.6 Å²	96.6	47%	0.474	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	141.5	-176.3	26.8	-35.1	0	0	0	113.4	V60 N113	V60-P111 HydrophobicContact CG1-CB 4.42Å; P111-N113 PolarHBondContact O-N 3.46Å; P111-N113 VanDerWaalsContact O-N 3.13Å
112	V	70.9	Confident	57.8	Low	38 Å²	38	95.7 Å²	95.7	23%	0.23	51%	0.513	C	S	.	.			trans	-83.1	88.7	-178.9	-170.4	0	0	0	0	110.3	E59 I61 Y114	E59-V112 HydrophobicContact CB-CG2 4.42Å; E59-V112 HydrophobicContact CG-CB 4.39Å; E59-V112 HydrophobicContact CG-CG2 3.9Å; E59-V112 PolarHBondContact O-N 2.99Å; I61-V112 HydrophobicContact CB-CG2 4.45Å; I61-V112 HydrophobicContact CD1-CG2 3.66Å; I61-V112 HydrophobicContact CG1-CG2 3.6Å; V112-Y114 HydrophobicContact CG1-CD2 3.81Å; V112-Y114 HydrophobicContact CG1-CE2 3.68Å; V112-Y114 PolarHBondContact O-N 2.87Å
113	N	45.7	Very low	55.3	Low	144 Å²	144	99 Å²	99	77%	0.77	55%	0.546	S	S	*	.			trans	-71.3	86.9	176.1	-77.4	-8.9	0	0	0	111.6	P111	P111-N113 PolarHBondContact O-N 3.46Å; P111-N113 VanDerWaalsContact O-N 3.13Å
114	Y	40.8	Very low	52.9	Low	182 Å²	182	102.9 Å²	102.9	71%	0.714	57%	0.57	S	S	*	*			trans	-67	128.3	165.5	-88.5	-85.3	0	0	0	110.8	V112	V112-Y114 HydrophobicContact CG1-CD2 3.81Å; V112-Y114 HydrophobicContact CG1-CE2 3.68Å; V112-Y114 PolarHBondContact O-N 2.87Å
115	R	31	Very low	50.2	Low	227 Å²	227	109.6 Å²	109.6	86%	0.857	60%	0.604	S	S	*	*			trans	85.8	124.8	-175.2	-57.9	-178.4	-176.5	-152.7	-0.2	113.5
116	N	28.2	Very low	47.7	Very low	159 Å²	159	115.1 Å²	115.1	85%	0.85	63%	0.634	S	S	*	*			cis	-144.5	170.1	17.2	-84.2	-39.3	0	0	0	113.1
117	S	31	Very low	45.1	Very low	114 Å²	114	119.4 Å²	119.4	80%	0.797	65%	0.654	S	S	*	*			trans	-106.6	133.6	-179.9	54.5	0	0	0	0	114.1
118	S	28.8	Very low	42.5	Very low	113 Å²	113	122.6 Å²	122.6	79%	0.79	67%	0.665	S	S	*	*			trans	-171.3	116.1	150.9	54.8	0	0	0	0	114.3
119	L	32.8	Very low	40	Very low	160 Å²	160	125.1 Å²	125.1	84%	0.838	68%	0.682	S	S	*	*			trans	32.9	152.5	136	-64.2	168.7	0	0	0	123.7
120	T	28.5	Very low	37.2	Very low	136 Å²	136	132.3 Å²	132.3	83%	0.834	72%	0.715	S	S	*	*			trans	65	160.8	163.7	52.8	0	0	0	0	118.6
121	D	28.6	Very low	34.7	Very low	139 Å²	139	131.5 Å²	131.5	74%	0.743	72%	0.723	S	S	*	*			cis	-174.1	152.8	-38.3	-173.6	5.6	0	0	0	107.2
122	S	34.4	Very low	33.5	Very low	107 Å²	107	133.3 Å²	133.3	75%	0.748	74%	0.735	S	S	*	*			trans	51.6	124.6	155.8	-71	0	0	0	0	122.7
123	G	29.8	Very low	31.4	Very low	72 Å²	72	138.4 Å²	138.4	74%	0.742	76%	0.761	S	S	*	*				112.3	120.3	114.8	0	0	0	0	0	121.4
124	M	32	Very low	30.6	Very low	178 Å²	178	140.5 Å²	140.5	88%	0.877	77%	0.766	S	S	*	*			trans	65	109.3	134	-70.8	-164.4	175.1	0	0	124.6
125	I	29.1	Very low	29.9	Very low	141 Å²	141	135.3 Å²	135.3	72%	0.723	77%	0.768	S	S	*	*				40.1	143.6	122.2	15.6	175.3	0	0	0	126.4
126	D	30.3	Very low	29.8	Very low	124 Å²	124	131 Å²	131	66%	0.663	77%	0.767	S	S	*	*			trans	90.9	113.2	136.6	-85.3	8	0	0	0	125.6
127	N	25	Very low	29.5	Very low	118 Å²	118	133.7 Å²	133.7	63%	0.631	77%	0.771	S	S	*	*				75.2	128	118.8	-70.1	-26.4	0	0	0	126.7
128	L	27	Very low	29.2	Very low	144 Å²	144	136.2 Å²	136.2	75%	0.754	77%	0.77	S	S	*	*				71.2	156.6	129.2	-67.3	176	0	0	0	120.3
129	L	28.5	Very low	29.1	Very low	126 Å²	126	137.1 Å²	137.1	66%	0.66	77%	0.765	S	S	*	*			cis	-169.8	-176.7	-9.3	174.5	58.1	0	0	0	110.3
130	E	24.7	Very low	28.7	Very low	163 Å²	163	135.1 Å²	135.1	76%	0.762	76%	0.755	S	S	*	*			trans	77.7	150	155.9	-92.2	139.8	-137.9	0	0	119.9
131	S	24.6	Very low	28.6	Very low	103 Å²	103	135.1 Å²	135.1	72%	0.72	75%	0.749	S	S	*	*			cis	-164	-146.7	-18.4	52.1	0	0	0	0	113.3
132	P	51.7	Low	28.5	Very low	111 Å²	111	136.3 Å²	136.3	72%	0.721	76%	0.755	S	S	*	*				-132.8	-137.6	-123.8	44.2	-20.4	0	0	0	116.7
133	D	26.8	Very low	28	Very low	146 Å²	146	134 Å²	134	78%	0.781	75%	0.749	S	S	*	*			trans	79.5	149.3	173.5	-86.2	-6	0	0	0	119.3
134	E	30.1	Very low	27.5	Very low	187 Å²	187	139.9 Å²	139.9	87%	0.874	76%	0.757	S	S	*	*			cis	-158.9	177.1	-7.9	-149.7	-166	173.7	0	0	110.4
135	G	26.1	Very low	27.1	Very low	74 Å²	74	142.9 Å²	142.9	76%	0.763	76%	0.758	S	S	*	*			trans	129.6	113.9	150	0	0	0	0	0	120
136	V	26.9	Very low	26.8	Very low	137 Å²	137	141.1 Å²	141.1	83%	0.83	75%	0.754	S	S	*	*			trans	-111.2	152.8	-172.9	169.6	0	0	0	0	114.4
137	K	22.8	Very low	26.5	Very low	214 Å²	214	141.5 Å²	141.5	93%	0.93	76%	0.756	S	S	*	*			trans	-162.4	163.3	143.6	-112.2	165.5	-171.7	176.4	0	114.8
138	E	24.1	Very low	26.4	Very low	167 Å²	167	142.2 Å²	142.2	78%	0.78	76%	0.757	S	S	*	*			trans	-149.8	-174.6	-155.5	-153	-170.3	174.6	0	0	113
139	L	27.5	Very low	26.2	Very low	132 Å²	132	143.6 Å²	143.6	69%	0.691	76%	0.758	S	S	*	*			trans	82.1	142.6	167.9	-90.9	75.3	0	0	0	118.4
140	D	24.8	Very low	25.8	Very low	118 Å²	118	148.8 Å²	148.8	63%	0.631	77%	0.768	S	S	*	*			cis	-163.3	167.1	-6.1	-145.5	-12.5	0	0	0	114.7
141	L	25.7	Very low	25.6	Very low	136 Å²	136	145.8 Å²	145.8	71%	0.712	77%	0.765	S	S	*	*			trans	53.2	145.5	158	-57.5	176.7	0	0	0	120.8
142	L	26.2	Very low	25.6	Very low	164 Å²	164	146.9 Å²	146.9	86%	0.859	77%	0.773	S	S	*	*			cis	-165.2	-172.3	-22.9	-145.3	75.6	0	0	0	105.7
143	G	24.1	Very low	24.2	Very low	60 Å²	60	146 Å²	146	62%	0.619	78%	0.775	S	S	*	*			cis	174	-166.2	4.2	0	0	0	0	0	114.8
144	E	20.5	Very low	24.1	Very low	194 Å²	194	148.3 Å²	148.3	91%	0.907	78%	0.778	S	S	*	*			trans	66.4	143.8	175.2	-62.2	-150.1	126.3	0	0	121.6
145	W	22.9	Very low	23.6	Very low	241 Å²	241	144.6 Å²	144.6	91%	0.913	77%	0.768	S	S	*	*			trans	-119	-166.4	-178.3	-75	4.5	0	0	0	108.4
146	T	23.5	Very low	23.5	Very low	104 Å²	104	150.4 Å²	150.4	64%	0.638	77%	0.769	S	S	*	*			cis	-173.8	153.4	32.4	-26.9	0	0	0	0	113.2
147	D	23.8	Very low	23.4	Very low	133 Å²	133	149.9 Å²	149.9	71%	0.711	76%	0.761	S	S	*	*			trans	69.1	157.3	139.3	-97.1	-7.9	0	0	0	122.5
148	M	23	Very low	23.5	Very low	132 Å²	132	146 Å²	146	65%	0.65	75%	0.751	S	S	*	*			cis	-155.1	171	2.5	-146.5	-168.4	-55.6	0	0	114.3
149	K	21.4	Very low	24.1	Very low	174 Å²	174	145.4 Å²	145.4	76%	0.757	75%	0.753	S	S	*	*			trans	96.2	96.7	142.7	-93	163.3	-177.4	171.5	0	122.6
150	R	21.3	Very low	24.4	Very low	234 Å²	234	143.8 Å²	143.8	88%	0.883	75%	0.75	S	S	*	*				9.2	156.3	112.4	-74.6	-176.6	-176.1	165.6	2.2	119.3
151	S	20.8	Very low	24.5	Very low	100 Å²	100	147 Å²	147	70%	0.699	76%	0.759	S	S	*	*			cis	169.7	152.1	-18	57.5	0	0	0	0	109.9
152	S	23	Very low	24.8	Very low	127 Å²	127	147.3 Å²	147.3	89%	0.888	76%	0.761	S	S	*	*			trans	173.6	177.9	144.3	48.1	0	0	0	0	112.1
153	A	22.3	Very low	24.9	Very low	92 Å²	92	146.8 Å²	146.8	76%	0.76	76%	0.759	S	S	*	*			trans	-156.8	172.2	-168.4	0	0	0	0	0	114.3
154	K	25	Very low	25	Very low	195 Å²	195	147.5 Å²	147.5	85%	0.848	77%	0.766	S	S	*	*			trans	114.3	106.4	159.3	-65.8	-177.3	178.1	179.8	0	118.7
155	T	20.9	Very low	25.3	Very low	109 Å²	109	144.1 Å²	144.1	67%	0.669	76%	0.759	S	S	*	*				61.1	143.9	120	-24.3	0	0	0	0	123.4
156	Y	24.1	Very low	25.5	Very low	196 Å²	196	140.5 Å²	140.5	77%	0.769	75%	0.752	S	S	*	*			trans	94.8	104.8	153.2	-74.8	-59.6	0	0	0	122
157	N	24.4	Very low	25.6	Very low	126 Å²	126	141.4 Å²	141.4	67%	0.674	76%	0.757	S	S	*	*				60.8	136.2	119.2	-80.2	19.5	0	0	0	125.2
158	N	24.4	Very low	26	Very low	133 Å²	133	142.3 Å²	142.3	71%	0.711	76%	0.762	S	S	*	*			trans	82.2	99.4	134.5	-66.9	3.1	0	0	0	122.1
159	N	36.4	Very low	26.4	Very low	153 Å²	153	141.7 Å²	141.7	82%	0.818	77%	0.768	S	S	*	*				-15.7	144.7	123.8	-50.2	-20.5	0	0	0	114.7
160	P	34.3	Very low	26.6	Very low	99 Å²	99	142.9 Å²	142.9	64%	0.643	77%	0.773	S	S	*	*				-147.1	-171.7	78.7	33.7	-12.1	0	0	0	115.9
161	F	26.7	Very low	27	Very low	184 Å²	184	138.9 Å²	138.9	81%	0.807	77%	0.769	S	S	*	*			trans	72.9	137.9	179.2	-44.7	-77.9	0	0	0	115.9
162	L	31.6	Very low	27.4	Very low	144 Å²	144	141.2 Å²	141.2	75%	0.754	77%	0.773	S	S	*	*			cis	-152.6	158.5	-16	-122.4	172.3	0	0	0	111.7
163	N	27.9	Very low	27.6	Very low	152 Å²	152	138 Å²	138	81%	0.813	76%	0.761	S	S	*	*			trans	-62.9	163.1	-177.3	-56.4	-46.8	0	0	0	115
164	G	27.3	Very low	27.8	Very low	76 Å²	76	140.9 Å²	140.9	78%	0.784	76%	0.763	S	S	*	*			trans	-173	14.6	174.8	0	0	0	0	0	123
165	V	26.9	Very low	27.9	Very low	123 Å²	123	138.4 Å²	138.4	75%	0.745	76%	0.758	S	S	*	*			trans	24.7	129.6	156.1	-178.7	0	0	0	0	121.6
166	Q	27.1	Very low	28.2	Very low	165 Å²	165	141 Å²	141	77%	0.771	76%	0.763	S	S	*	*			trans	95.2	125.3	151.3	-89.1	172.9	42	0	0	123.8
167	T	25.7	Very low	28.3	Very low	122 Å²	122	138.2 Å²	138.2	75%	0.748	77%	0.767	S	S	*	*			trans	73.5	153	142.9	48.9	0	0	0	0	123.1
168	N	30.9	Very low	28.4	Very low	153 Å²	153	138.7 Å²	138.7	82%	0.818	77%	0.774	S	S	*	*			trans	-61.7	154.2	-173.4	-46.1	-32.8	0	0	0	114.8
169	P	32.5	Very low	29.2	Very low	118 Å²	118	137.8 Å²	137.8	77%	0.766	78%	0.775	S	S	*	*			trans	-124.6	114.7	143.9	33.8	-21.4	0	0	0	113.1
170	F	25.2	Very low	28.7	Very low	199 Å²	199	136 Å²	136	87%	0.873	77%	0.774	S	S	*	*			trans	-84.6	172	130.7	-90.2	-87.6	0	0	0	107.4
171	L	29.3	Very low	28.3	Very low	151 Å²	151	135.7 Å²	135.7	79%	0.791	78%	0.775	S	S	*	*			trans	76	145.7	-178	-42.5	169.7	0	0	0	112.4
172	N	29.9	Very low	28.2	Very low	148 Å²	148	133.6 Å²	133.6	79%	0.791	77%	0.772	S	S	*	*			cis	-136.1	171.4	20.2	-79.2	-62.1	0	0	0	111.9
173	G	26.5	Very low	28	Very low	60 Å²	60	133.3 Å²	133.3	62%	0.619	77%	0.771	S	S	*	*			cis	145.8	141.2	-10.5	0	0	0	0	0	115.1
174	N	27.1	Very low	27.8	Very low	153 Å²	153	134.3 Å²	134.3	82%	0.818	77%	0.771	S	S	*	*			trans	69	150.2	163.2	-60.5	-12.7	0	0	0	117.1
175	L	27.6	Very low	27.7	Very low	142 Å²	142	135 Å²	135	74%	0.743	76%	0.764	S	S	*	*			cis	-145.7	150.3	48.4	-77.5	160	0	0	0	116.1
176	Q	27.1	Very low	27.4	Very low	164 Å²	164	136.2 Å²	136.2	77%	0.766	77%	0.766	S	S	*	*			trans	51.8	126.3	145.3	-62.2	170.2	-10.8	0	0	119.6
177	T	25	Very low	27.2	Very low	138 Å²	138	132.2 Å²	132.2	85%	0.847	76%	0.757	S	S	*	*				-164.2	-175.8	75.6	29.1	0	0	0	0	113
178	V	25.9	Very low	27.2	Very low	135 Å²	135	135.3 Å²	135.3	82%	0.818	76%	0.76	S	S	*	*			trans	-153.5	167.3	-159.5	-176.4	0	0	0	0	108.8
179	P	42.5	Very low	27.1	Very low	114 Å²	114	133.1 Å²	133.1	74%	0.74	76%	0.763	S	S	*	*			cis	-119.3	179.2	-40.5	37.6	-22.9	0	0	0	113.4
180	S	26.3	Very low	26.6	Very low	115 Å²	115	133 Å²	133	80%	0.804	76%	0.76	S	S	*	*			trans	158.9	168.9	145.1	43	0	0	0	0	111.3
181	S	25.3	Very low	26.6	Very low	93 Å²	93	129.2 Å²	129.2	65%	0.65	75%	0.753	S	S	*	*				-164.4	149.8	-59.5	51.4	0	0	0	0	109.8
182	D	24.3	Very low	26.2	Very low	141 Å²	141	128.1 Å²	128.1	75%	0.754	75%	0.748	S	S	*	*			trans	70.6	157.1	153.1	-53.1	-23	0	0	0	123.9
183	N	27.2	Very low	25.9	Very low	138 Å²	138	127.2 Å²	127.2	74%	0.738	74%	0.742	S	S	*	*			trans	78.4	83.5	155.1	-63.7	-11.5	0	0	0	122.5
184	E	24.1	Very low	25.8	Very low	172 Å²	172	130.7 Å²	130.7	80%	0.804	75%	0.746	S	S	*	*				65	122.4	104.3	-74.7	-145.4	126.3	0	0	123.3
185	S	24.3	Very low	25.7	Very low	90 Å²	90	130.1 Å²	130.1	63%	0.629	74%	0.742	S	S	*	*				94.5	135.5	128.1	83.5	0	0	0	0	120.9
186	N	22.5	Very low	25.5	Very low	150 Å²	150	133 Å²	133	80%	0.802	75%	0.749	S	S	*	*			trans	59.4	152.6	139.3	-68.4	-29.4	0	0	0	121.2
187	S	22.4	Very low	25.4	Very low	81 Å²	81	131.9 Å²	131.9	57%	0.566	75%	0.749	S	S	*	*			cis	-166.4	176.9	-27.9	62.6	0	0	0	0	108.6
188	K	24.5	Very low	25.7	Very low	187 Å²	187	131.2 Å²	131.2	81%	0.813	74%	0.744	S	S	*	*			trans	60.4	95.5	161.6	-63.9	170.1	-176.6	176.5	0	116.5
189	A	29.8	Very low	25.5	Very low	107 Å²	107	128.6 Å²	128.6	88%	0.884	74%	0.744	S	S	*	*			trans	-77	122.2	148.5	0	0	0	0	0	109.7
190	T	22	Very low	25	Very low	115 Å²	115	127.8 Å²	127.8	71%	0.706	75%	0.747	S	S	*	*			trans	-131.5	123.3	159.5	26.4	0	0	0	0	104.9
191	V	24.4	Very low	25.1	Very low	120 Å²	120	128.5 Å²	128.5	73%	0.727	75%	0.749	S	S	*	*				58.1	111.3	90.6	179.6	0	0	0	0	108.2
192	D	21.6	Very low	25	Very low	128 Å²	128	130.3 Å²	130.3	68%	0.684	76%	0.757	S	S	*	*			cis	-160.3	-172.7	47.1	-140.8	-12.7	0	0	0	116.8
193	L	23.9	Very low	25.1	Very low	129 Å²	129	128.9 Å²	128.9	68%	0.675	76%	0.757	S	S	*	*			trans	8.8	142.9	134.9	-73	171.6	0	0	0	118
194	L	24.8	Very low	24.9	Very low	132 Å²	132	127 Å²	127	69%	0.691	76%	0.762	S	S	*	*			cis	-163.8	179.5	25	-109.4	153.9	0	0	0	112.9
195	L	24.6	Very low	24.9	Very low	142 Å²	142	122.4 Å²	122.4	74%	0.743	76%	0.76	S	S	*	*			trans	35	134.9	147.4	-71.3	158.4	0	0	0	122.2
196	F	23.9	Very low	24.9	Very low	201 Å²	201	124.6 Å²	124.6	88%	0.882	78%	0.775	S	S	*	*			trans	-80.3	125.8	140.6	-72.1	-93.6	0	0	0	109.1
197	D	23.5	Very low	24.8	Very low	142 Å²	142	122.4 Å²	122.4	76%	0.759	77%	0.772	S	S	*	*			trans	-144	-174.3	142.4	-144.7	-38.4	0	0	0	109.8
198	T	32.5	Very low	24.8	Very low	124 Å²	124	123.6 Å²	123.6	76%	0.761	78%	0.78	S	S	*	*			trans	-93.8	148.7	-150.2	38.4	0	0	0	0	114.6
199	G	22	Very low	24.7	Very low	79 Å²	79	119.5 Å²	119.5	81%	0.814	78%	0.781	S	S	*	*			trans	-171.9	117.9	173.1	0	0	0	0	0	111.1
200	A	31.3	Very low	24.5	Very low	97 Å²	97	118.1 Å²	118.1	80%	0.802	77%	0.77	S	S	*	*			trans	-109.4	140.7	172.2	0	0	0	0	0	109.7
201	P	28.2	Very low	24.6	Very low	130 Å²	130	120.5 Å²	120.5	84%	0.844	78%	0.778	S	S	*	*			trans	-91	122.1	167.3	32.9	-28.8	0	0	0	110.8
202	T	23.9	Very low	24.6	Very low	132 Å²	132	120 Å²	120	81%	0.81	78%	0.78	S	S	*	*			trans	-81.8	149.7	165	51.8	0	0	0	0	111
203	S	25.4	Very low	24.7	Very low	110 Å²	110	118.4 Å²	118.4	77%	0.769	78%	0.779	S	S	*	*				176	149.6	119.9	55.1	0	0	0	0	113.9
204	A	24.4	Very low	24.8	Very low	100 Å²	100	120.2 Å²	120.2	83%	0.826	79%	0.786	S	S	*	*			trans	41.7	122.4	147.1	0	0	0	0	0	120.3
205	G	22.3	Very low	24.8	Very low	74 Å²	74	116.4 Å²	116.4	76%	0.763	78%	0.779	S	S	*	*			trans	-95.8	169.7	162.2	0	0	0	0	0	112.7
206	S	24.2	Very low	24.7	Very low	136 Å²	136	116.9 Å²	116.9	95%	0.951	78%	0.782	S	S	*	*			trans	-155.7	160.6	159.1	-94.7	0	0	0	0	109
207	S	21.5	Very low	24.7	Very low	105 Å²	105	114.4 Å²	114.4	73%	0.734	78%	0.776	S	S	*	*			trans	-101	170.7	-165.4	59.5	0	0	0	0	115.1
208	S	22.4	Very low	24.7	Very low	106 Å²	106	116.3 Å²	116.3	74%	0.741	78%	0.778	S	S	*	*			trans	76.8	140.4	138	54.1	0	0	0	0	121.9
209	A	22.8	Very low	24.4	Very low	101 Å²	101	116.6 Å²	116.6	84%	0.835	78%	0.775	S	S	*	*			trans	78.5	143.7	154.6	0	0	0	0	0	119.7
210	A	24.3	Very low	24.4	Very low	78 Å²	78	121 Å²	121	65%	0.645	78%	0.775	S	S	*	*			cis	-169.1	142.6	-22.8	0	0	0	0	0	111.5
211	N	24.9	Very low	24.1	Very low	165 Å²	165	126.1 Å²	126.1	88%	0.882	78%	0.779	S	S	*	*			trans	57.4	166.4	150.8	-55.3	-12.1	0	0	0	117.7
212	S	23.7	Very low	24.4	Very low	110 Å²	110	125.1 Å²	125.1	77%	0.769	77%	0.773	S	S	*	*			cis	-142	173.8	-0.4	73.8	0	0	0	0	107.6
213	S	24.6	Very low	24.3	Very low	94 Å²	94	123.5 Å²	123.5	66%	0.657	77%	0.767	S	S	*	*			cis	-151.5	-165.8	-4.5	50.5	0	0	0	0	105.5
214	M	25.7	Very low	24.1	Very low	166 Å²	166	124.2 Å²	124.2	82%	0.818	77%	0.767	S	S	*	*			cis	-159.7	154.3	3.9	-166	66.6	82	0	0	105.3
215	G	23.6	Very low	24.1	Very low	53 Å²	53	126.6 Å²	126.6	55%	0.546	77%	0.765	S	S	.	*			cis	151.5	149.6	-4.4	0	0	0	0	0	110
216	N	24.1	Very low	24.1	Very low	151 Å²	151	133.8 Å²	133.8	81%	0.807	77%	0.769	S	S	*	*			trans	69.9	144.5	178.6	-60.7	-4.5	0	0	0	116.5
217	I	23.4	Very low	24.1	Very low	149 Å²	149	135 Å²	135	76%	0.764	76%	0.764	S	S	*	*			cis	-154.2	166.3	-6	-118.4	165.5	0	0	0	110.4
218	F	24.2	Very low	24.2	Very low	182 Å²	182	138.7 Å²	138.7	80%	0.798	77%	0.77	S	S	*	*			trans	-75.4	-179.6	174.7	-82.9	-114.1	0	0	0	112
219	D	25.2	Very low	24.3	Very low	130 Å²	130	142 Å²	142	70%	0.695	78%	0.778	S	S	*	*			cis	-159.9	176.4	13	-138	-33.6	0	0	0	113.9
220	E	23.2	Very low	24.3	Very low	173 Å²	173	145.6 Å²	145.6	81%	0.808	78%	0.778	S	S	*	*			trans	63	158.9	153.1	-69.3	-166.4	119.1	0	0	124.2
221	F	23.8	Very low	24.2	Very low	203 Å²	203	151.1 Å²	151.1	89%	0.89	79%	0.79	S	S	*	*			trans	-114.3	-175.9	-178.8	-73.4	-87.6	0	0	0	109.6
222	P	34.5	Very low	24.1	Very low	110 Å²	110	150 Å²	150	71%	0.714	79%	0.79	S	S	*	*			cis	-140.9	-174.8	5.9	43.7	-24.8	0	0	0	117.7
223	S	22.1	Very low	24.1	Very low	98 Å²	98	150.6 Å²	150.6	69%	0.685	79%	0.788	S	S	*	*			trans	95	126.6	142.4	75.8	0	0	0	0	123.5
224	T	21.9	Very low	24.2	Very low	125 Å²	125	156 Å²	156	77%	0.767	80%	0.8	S	S	*	*			trans	69.2	139.3	147.6	49.5	0	0	0	0	124.1
225	N	22.7	Very low	24.2	Very low	149 Å²	149	159.2 Å²	159.2	80%	0.797	80%	0.803	S	S	*	*			trans	72.4	100.7	154.3	-72.2	-18.2	0	0	0	122.2
226	R	22.9	Very low	24.2	Very low	226 Å²	226	164.5 Å²	164.5	85%	0.853	82%	0.819	S	S	*	*				57.1	103	113	-156.4	-170.5	-160.3	-167.6	5.9	118.6
227	L	23.5	Very low	24.6	Very low	161 Å²	161	160.8 Å²	160.8	84%	0.843	80%	0.799	S	S	*	*				-175.5	166.8	113	-97.6	166.1	0	0	0	111.7
228	E	25.6	Very low	25.1	Very low	183 Å²	183	158.8 Å²	158.8	86%	0.855	80%	0.796	S	S	*	*			trans	-95.4	143.9	-175.1	-61.7	164.2	119.7	0	0	112.4
229	L	23.3	Very low	25.6	Very low	174 Å²	174	156 Å²	156	91%	0.911	78%	0.784	S	S	*	*			trans	-154.2	150.1	139.7	-159.4	58.2	0	0	0	110.7
230	E	23.1	Very low	26.1	Very low	178 Å²	178	158.8 Å²	158.8	83%	0.832	79%	0.79	S	S	*	*			trans	-77.9	151.6	-167.5	-55.1	177.5	111.9	0	0	114.6
231	Q	22.2	Very low	26.4	Very low	194 Å²	194	162.1 Å²	162.1	91%	0.907	80%	0.795	S	S	*	*			trans	-132.4	139.3	153.1	-77.6	-163.1	-7.7	0	0	111.3
232	T	22.2	Very low	26.9	Very low	142 Å²	142	155.4 Å²	155.4	87%	0.871	77%	0.773	S	S	*	*			trans	-87.9	112.4	-166.8	40.5	0	0	0	0	113	K234	T232-K234 PolarHBondContact O-N 2.78Å
233	V	25.1	Very low	27.2	Very low	121 Å²	121	159.8 Å²	159.8	73%	0.733	78%	0.781	S	S	*	*			trans	-76.6	108.9	178.9	178.4	0	0	0	0	111.3	R235	V233-R235 HydrophobicContact CG1-CB 4.46Å; V233-R235 PolarHBondContact O-N 3.28Å
234	K	25.3	Very low	28.1	Very low	209 Å²	209	162 Å²	162	91%	0.909	78%	0.775	S	S	*	*			trans	-68.9	106.8	157	-84.5	-176.1	175.4	175.6	0	109	T232 D236	T232-K234 PolarHBondContact O-N 2.78Å; K234-D236 PolarHBondContact O-N 3.32Å
235	R	26.4	Very low	29	Very low	232 Å²	232	157.9 Å²	157.9	88%	0.875	75%	0.751	S	S	*	*			trans	-88.1	95.7	-176.3	-142.9	175.6	-169.3	136.8	-3.9	110.1	V233	V233-R235 HydrophobicContact CG1-CB 4.46Å; V233-R235 PolarHBondContact O-N 3.28Å
236	D	23.6	Very low	30.2	Very low	165 Å²	165	156 Å²	156	88%	0.882	73%	0.733	S	S	*	*			trans	-71.1	132.2	173.8	-115.8	-26	0	0	0	110.3	K234	K234-D236 PolarHBondContact O-N 3.32Å
237	N	32.7	Very low	31.4	Very low	72 Å²	72	145.2 Å²	145.2	39%	0.385	69%	0.692	S	S	.	*			trans	-97.7	117.6	-160	-158.5	-19.5	0	0	0	113.1	F239 E890	N237-F239 VanDerWaalsContact C-N 3.33Å; N237-F239 PolarHBondContact O-N 3.39Å; N237-F239 WeakPolarHBondContact OD1-CD2 3.27Å; N237-F239 WeakPolarHBondContact OD1-CE2 3.41Å; N237-E890 PolarHBondContact ND2-OE1 2.82Å; N237-E890 PolarHBondContact OD1-OE1 3.1Å
238	P	32.8	Very low	32.8	Very low	108 Å²	108	138.7 Å²	138.7	70%	0.701	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-67.7	-15.9	-166.2	23.6	-36.3	0	0	0	117.2	F240	P238-F240 PolarHBondContact O-N 3.13Å
239	F	35	Very low	33.6	Very low	123 Å²	123	132.2 Å²	132.2	54%	0.539	63%	0.633	S	S	.	*	G	3₁₀ helix	trans	-60.5	-21.5	-172.5	-65.2	-81	0	0	0	115.2	N237 R241 E890	N237-F239 VanDerWaalsContact C-N 3.33Å; N237-F239 PolarHBondContact O-N 3.39Å; N237-F239 WeakPolarHBondContact OD1-CD2 3.27Å; N237-F239 WeakPolarHBondContact OD1-CE2 3.41Å; F239-R241 PolarHBondContact O-N 3.26Å; F239-E890 VanDerWaalsContact CE2-CD 3.45Å; F239-E890 HydrophobicContact CE2-CG 4.36Å; F239-E890 WeakPolarHBondContact CE2-OE1 3.43Å; F239-E890 VanDerWaalsContact CE2-OE2 3.27Å; F239-E890 WeakPolarHBondContact CE2-OE2 3.25Å
240	F	35.4	Very low	34.8	Very low	188 Å²	188	126 Å²	126	83%	0.825	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-85.3	2.7	-168.4	-77.7	-74	0	0	0	117.1	P238	P238-F240 PolarHBondContact O-N 3.13Å
241	R	31	Very low	36.1	Very low	243 Å²	243	120.5 Å²	120.5	92%	0.917	58%	0.575	S	S	*	*	S	Bend	trans	-114.9	-16.6	-175	-69	-165.6	-179.7	-163.1	3.5	117.8	F239	F239-R241 PolarHBondContact O-N 3.26Å
242	S	33.4	Very low	37	Very low	62 Å²	62	114.4 Å²	114.4	43%	0.434	55%	0.554	S	S	.	*			trans	-102.7	114.6	-177.5	-168.9	0	0	0	0	112.9	R244 Y246	S242-R244 VanDerWaalsContact C-N 3.34Å; S242-R244 PolarHBondContact O-N 3.14Å; S242-Y246 PolarHBondContact OG-OH 2.88Å; S242-Y246 VanDerWaalsContact OG-OH 3.11Å
243	K	40.5	Very low	37.9	Very low	203 Å²	203	112.1 Å²	112.1	88%	0.883	54%	0.54	S	S	*	.			trans	-92.7	52.2	176.2	-65.9	178.8	-177.9	168.7	0	112.2
244	R	42.6	Very low	38.5	Very low	145 Å²	145	112.3 Å²	112.3	55%	0.547	54%	0.536	S	S	.	.	S	Bend	trans	-135.3	143.7	171.1	-65.3	-168.3	-172.7	-137.4	3.3	110	S242 Y246 K816 D817	S242-R244 VanDerWaalsContact C-N 3.34Å; S242-R244 PolarHBondContact O-N 3.14Å; R244-Y246 PolarHBondContact O-N 2.87Å; R244-K816 PolarHBondContact NH1-O 3.09Å; R244-D817 IonicContact CZ-OD1 3.66Å; R244-D817 IonicContact NH1-OD1 2.72Å; R244-D817 PolarHBondContact NH1-OD1 3.36Å; R244-D817 IonicContact NH2-OD1 3.26Å; R244-D817 PolarHBondContact NH2-OD1 2.83Å
245	S	40.7	Very low	39.2	Very low	38 Å²	38	108.2 Å²	108.2	27%	0.266	52%	0.52	S	S	.	.			trans	-80.2	110.6	179.9	42.3	0	0	0	0	111.4	L752 Q822	S245-L752 VanDerWaalsContact CB-O 3.31Å; S245-L752 WeakPolarHBondContact CB-O 3.45Å; S245-Q822 PolarHBondContact OG-OE1 3.27Å
246	Y	46.9	Very low	39.5	Very low	109 Å²	109	100.8 Å²	100.8	43%	0.427	51%	0.508	S	S	.	.			trans	-81.9	151.9	170.9	-63	-82.2	0	0	0	111	S242 R244 L251	S242-Y246 PolarHBondContact OG-OH 2.88Å; S242-Y246 VanDerWaalsContact OG-OH 3.11Å; R244-Y246 PolarHBondContact O-N 2.87Å; Y246-L251 HydrophobicContact CG-CD2 4.45Å
247	S	49.1	Very low	40.1	Very low	0 Å²	0	101.6 Å²	101.6	0%	0	50%	0.504	C	S	.	.	B	Isolated β-bridge	trans	-77.3	144.9	167.5	-167.4	0	0	0	0	110.3	S249 E250 L251 Y754 Y756	S247-S249 PolarHBondContact O-N 3.27Å; S247-S249 VanDerWaalsContact O-N 3.08Å; S247-E250 PolarHBondContact N-OE2 3.48Å; S247-E250 WeakPolarHBondContact O-CB 3.37Å; S247-E250 PolarHBondContact O-N 2.77Å; S247-L251 PolarHBondContact O-N 2.72Å; S247-Y754 PolarHBondContact OG-O 3.31Å; S247-Y756 WeakPolarHBondContact OG-CB 3.21Å; S247-Y756 PolarHBondContact OG-N 3.26Å
248	L	51.8	Low	40	Very low	23 Å²	23	102.2 Å²	102.2	12%	0.12	51%	0.514	C	S	.	.	H	α-helix	trans	-53.4	-34.4	176.5	-67.8	-168.8	0	0	0	112.7	E250 L251 S252 Y754 I755 W893	L248-E250 PolarHBondContact O-N 3.43Å; L248-L251 HydrophobicContact CD2-CD1 4.1Å; L248-L251 PolarHBondContact O-N 3.46Å; L248-S252 PolarHBondContact O-N 3.4Å; L248-S252 PolarHBondContact O-OG 3.44Å; L248-S252 VanDerWaalsContact O-OG 3.14Å; L248-Y754 PolarHBondContact N-O 2.87Å; L248-I755 HydrophobicContact CD1-CD1 3.78Å; L248-I755 HydrophobicContact CD1-CG1 3.72Å; L248-I755 HydrophobicContact CG-CG1 4.19Å; L248-W893 HydrophobicContact CD1-CH2 3.63Å; L248-W893 HydrophobicContact CD1-CZ2 4.37Å; L248-W893 HydrophobicContact CD1-CZ3 4.11Å; L248-W893 HydrophobicContact CD2-CH2 4.33Å; L248-W893 HydrophobicContact CD2-CZ2 4.36Å
249	S	43.5	Very low	39.8	Very low	47 Å²	47	102.8 Å²	102.8	33%	0.329	51%	0.511	S	S	.	.	H	α-helix	trans	-62.5	-26.2	176.8	-51	0	0	0	0	113.9	S247 V253	S247-S249 PolarHBondContact O-N 3.27Å; S247-S249 VanDerWaalsContact O-N 3.08Å; S249-V253 VanDerWaalsContact O-CG2 3.31Å; S249-V253 WeakPolarHBondContact O-CG2 3.42Å; S249-V253 PolarHBondContact O-N 2.92Å
250	E	48.3	Very low	39.7	Very low	45 Å²	45	103.4 Å²	103.4	21%	0.21	53%	0.525	C	S	.	.	H	α-helix	trans	-80.3	-38.9	175.9	-71.6	143.8	-168.1	0	0	110.8	S247 L248 V253 L254 K807	S247-E250 PolarHBondContact N-OE2 3.48Å; S247-E250 WeakPolarHBondContact O-CB 3.37Å; S247-E250 PolarHBondContact O-N 2.77Å; L248-E250 PolarHBondContact O-N 3.43Å; E250-V253 PolarHBondContact O-N 3.47Å; E250-L254 WeakPolarHBondContact O-CG 3.26Å; E250-L254 PolarHBondContact O-N 3.3Å; E250-L254 VanDerWaalsContact O-N 3.13Å; E250-K807 WeakPolarHBondContact OE1-CE 3.18Å; E250-K807 IonicContact OE1-NZ 3.81Å; E250-K807 PolarHBondContact OE1-NZ 2.88Å
251	L	48.8	Very low	39.7	Very low	61 Å²	61	100.7 Å²	100.7	32%	0.319	53%	0.527	S	S	.	.	H	α-helix	trans	-62.5	-43.7	172.3	-58.7	177	0	0	0	111.2	Y246 S247 L248 V253 L254 Q255	Y246-L251 HydrophobicContact CG-CD2 4.45Å; S247-L251 PolarHBondContact O-N 2.72Å; L248-L251 HydrophobicContact CD2-CD1 4.1Å; L248-L251 PolarHBondContact O-N 3.46Å; L251-V253 VanDerWaalsContact C-N 3.29Å; L251-V253 PolarHBondContact O-N 3.43Å; L251-L254 PolarHBondContact O-N 3.01Å; L251-Q255 WeakPolarHBondContact O-CB 3.45Å; L251-Q255 PolarHBondContact O-N 3Å
252	S	42	Very low	39.9	Very low	67 Å²	67	98.2 Å²	98.2	47%	0.469	53%	0.527	S	S	.	.	H	α-helix	trans	-62.9	-31.1	175.3	-59.3	0	0	0	0	113.5	L248 A256	L248-S252 PolarHBondContact O-N 3.4Å; L248-S252 PolarHBondContact O-OG 3.44Å; L248-S252 VanDerWaalsContact O-OG 3.14Å; S252-A256 WeakPolarHBondContact O-CB 3.28Å; S252-A256 PolarHBondContact O-N 3.14Å
253	V	41.4	Very low	39.5	Very low	93 Å²	93	101.2 Å²	101.2	56%	0.564	55%	0.549	S	S	*	.	H	α-helix	trans	-76.4	-28.1	175.8	166.4	0	0	0	0	112.3	S249 E250 L251	S249-V253 VanDerWaalsContact O-CG2 3.31Å; S249-V253 WeakPolarHBondContact O-CG2 3.42Å; S249-V253 PolarHBondContact O-N 2.92Å; E250-V253 PolarHBondContact O-N 3.47Å; L251-V253 VanDerWaalsContact C-N 3.29Å; L251-V253 PolarHBondContact O-N 3.43Å
254	L	37.8	Very low	39.2	Very low	126 Å²	126	97.6 Å²	97.6	66%	0.66	55%	0.549	S	S	*	.	H	α-helix	trans	-72	-39	170	-66.8	170	0	0	0	111.3	E250 L251	E250-L254 WeakPolarHBondContact O-CG 3.26Å; E250-L254 PolarHBondContact O-N 3.3Å; E250-L254 VanDerWaalsContact O-N 3.13Å; L251-L254 PolarHBondContact O-N 3.01Å
255	Q	39.7	Very low	38.4	Very low	123 Å²	123	93.3 Å²	93.3	58%	0.575	55%	0.55	S	S	*	.	H	α-helix	trans	-75.1	-35.2	178.6	-165.2	169.1	25.8	0	0	113.1	L251 K257 S258	L251-Q255 WeakPolarHBondContact O-CB 3.45Å; L251-Q255 PolarHBondContact O-N 3Å; Q255-K257 PolarHBondContact O-N 3.3Å; Q255-S258 PolarHBondContact O-N 3.47Å; Q255-S258 PolarHBondContact O-OG 2.89Å
256	A	33.3	Very low	37.9	Very low	75 Å²	75	102 Å²	102	62%	0.62	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	1.5	177.8	0	0	0	0	0	114.6	S252	S252-A256 WeakPolarHBondContact O-CB 3.28Å; S252-A256 PolarHBondContact O-N 3.14Å
257	K	34.7	Very low	37	Very low	182 Å²	182	105.7 Å²	105.7	79%	0.791	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-8	174	-75	-171.9	174.9	-169.8	0	114.3	Q255	Q255-K257 PolarHBondContact O-N 3.3Å
258	S	31.6	Very low	36.2	Very low	86 Å²	86	110.7 Å²	110.7	60%	0.601	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-25.2	179.6	48.5	0	0	0	0	114.7	Q255	Q255-S258 PolarHBondContact O-N 3.47Å; Q255-S258 PolarHBondContact O-OG 2.89Å
259	D	28.7	Very low	35.4	Very low	120 Å²	120	112.9 Å²	112.9	64%	0.642	67%	0.665	S	S	*	*			trans	-133.1	115.5	-162.4	-64.3	-84.4	0	0	0	114
260	T	31.5	Very low	35.1	Very low	135 Å²	135	114.9 Å²	114.9	83%	0.828	67%	0.671	S	S	*	*			trans	-142.2	125.3	162.9	52.2	0	0	0	0	110.5
261	P	35.7	Very low	34.6	Very low	132 Å²	132	120.9 Å²	120.9	86%	0.857	70%	0.697	S	S	*	*			trans	-133.6	159.2	131.2	36	-26.1	0	0	0	112.9
262	M	35.7	Very low	34.1	Very low	190 Å²	190	121.4 Å²	121.4	94%	0.936	71%	0.706	S	S	*	*			trans	-79.4	156.5	175.7	-66.4	167.1	58.9	0	0	112.1
263	S	25.3	Very low	34	Very low	126 Å²	126	119.1 Å²	119.1	88%	0.881	69%	0.689	S	S	*	*			trans	-143	152.5	153.7	64.6	0	0	0	0	110.8
264	S	33.8	Very low	34	Very low	126 Å²	126	116.9 Å²	116.9	88%	0.881	68%	0.676	S	S	*	*			trans	-121.5	144.4	-177.6	48.5	0	0	0	0	110.4
265	G	25.3	Very low	34.3	Very low	55 Å²	55	115 Å²	115	57%	0.567	67%	0.671	S	S	*	*			trans	-179.3	112.7	179.7	0	0	0	0	0	116	F267	G265-F267 VanDerWaalsContact C-N 3.28Å; G265-F267 PolarHBondContact O-N 3.07Å
266	F	30.3	Very low	34.6	Very low	221 Å²	221	117.5 Å²	117.5	97%	0.969	68%	0.683	S	S	*	*	S	Bend	trans	50.3	-20	151.9	-84.5	-93.6	0	0	0	123	S268	F266-S268 PolarHBondContact O-N 2.89Å; F266-S268 VanDerWaalsContact O-N 3.08Å
267	F	29.8	Very low	35.1	Very low	186 Å²	186	119.9 Å²	119.9	82%	0.816	68%	0.681	S	S	*	*			trans	-85.7	77.8	-179.9	-73.7	-85.9	0	0	0	112.5	G265	G265-F267 VanDerWaalsContact C-N 3.28Å; G265-F267 PolarHBondContact O-N 3.07Å
268	S	30.5	Very low	35.7	Very low	105 Å²	105	114.4 Å²	114.4	73%	0.734	66%	0.658	S	S	*	*			trans	-88.6	-37.1	177.8	-163.7	0	0	0	0	113.9	F266	F266-S268 PolarHBondContact O-N 2.89Å; F266-S268 VanDerWaalsContact O-N 3.08Å
269	G	35	Very low	36.2	Very low	69 Å²	69	120.2 Å²	120.2	71%	0.711	68%	0.675	S	S	*	*	S	Bend	trans	-83	-38	-170.9	0	0	0	0	0	115.9
270	L	38.6	Very low	36.7	Very low	89 Å²	89	115.2 Å²	115.2	47%	0.466	65%	0.65	S	S	.	*	S	Bend	trans	-100.5	86.1	176.4	-76	172.6	0	0	0	109.9	S272 P582	L270-S272 PolarHBondContact O-N 2.89Å; L270-P582 HydrophobicContact CD2-CB 4.31Å
271	K	37.3	Very low	37	Very low	171 Å²	171	116.1 Å²	116.1	74%	0.743	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-66.9	125.1	167.2	-67.4	-176	-179.6	179.2	0	108.6
272	S	38.8	Very low	37.2	Very low	73 Å²	73	112.3 Å²	112.3	51%	0.51	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-54.5	137.9	167.4	54.9	0	0	0	0	109.1	L270 T274	L270-S272 PolarHBondContact O-N 2.89Å; S272-T274 PolarHBondContact O-N 3.17Å; S272-T274 VanDerWaalsContact O-N 3.17Å
273	P	39.5	Very low	37.6	Very low	19 Å²	19	106.3 Å²	106.3	12%	0.123	58%	0.581	C	S	.	*	P	Polyproline II helix	trans	-51.8	124.5	178.6	20	-32.3	0	0	0	109.9	F278 F284 A287	P273-F278 HydrophobicContact CB-CD2 4.28Å; P273-F278 HydrophobicContact CB-CE2 3.33Å; P273-F278 HydrophobicContact CB-CZ 3.75Å; P273-F284 WeakPolarHBondContact O-CE2 3.47Å; P273-A287 HydrophobicContact CG-CB 4.49Å
274	T	40.7	Very low	38.6	Very low	46 Å²	46	102.8 Å²	102.8	28%	0.282	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-85.1	148.2	177.3	65.4	0	0	0	0	109.8	S272 E276 Q277 F278	S272-T274 PolarHBondContact O-N 3.17Å; S272-T274 VanDerWaalsContact O-N 3.17Å; T274-E276 PolarHBondContact O-N 3.29Å; T274-E276 VanDerWaalsContact O-N 3.15Å; T274-Q277 VanDerWaalsContact N-OE1 3.14Å; T274-Q277 PolarHBondContact O-N 3.16Å; T274-Q277 VanDerWaalsContact O-N 3.09Å; T274-Q277 WeakPolarHBondContact OG1-CG 3.44Å; T274-F278 WeakPolarHBondContact O-CD2 3.5Å
275	P	44.1	Very low	39.1	Very low	87 Å²	87	102 Å²	102	57%	0.565	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-57	-31.8	-179.5	-25.8	35.4	0	0	0	113.4	Q277 F278 F284	P275-Q277 PolarHBondContact O-N 2.85Å; P275-F278 PolarHBondContact O-N 3.11Å; P275-F284 HydrophobicContact CB-CD2 4.45Å; P275-F284 HydrophobicContact CB-CE2 4.34Å; P275-F284 HydrophobicContact CG-CD2 4.46Å; P275-F284 HydrophobicContact CG-CE2 3.87Å; P275-F284 HydrophobicContact CG-CZ 4.2Å
276	E	46.1	Very low	40	Very low	174 Å²	174	102.8 Å²	102.8	81%	0.813	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-68.4	-17.3	-179.7	-61.4	129.7	-171	0	0	114.1	T274	T274-E276 PolarHBondContact O-N 3.29Å; T274-E276 VanDerWaalsContact O-N 3.15Å
277	Q	43.6	Very low	40.6	Very low	125 Å²	125	93.6 Å²	93.6	58%	0.584	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-84.6	-8.8	-179.8	-72.6	170.3	-23.1	0	0	113.6	T274 P275	T274-Q277 VanDerWaalsContact N-OE1 3.14Å; T274-Q277 PolarHBondContact O-N 3.16Å; T274-Q277 VanDerWaalsContact O-N 3.09Å; T274-Q277 WeakPolarHBondContact OG1-CG 3.44Å; P275-Q277 PolarHBondContact O-N 2.85Å
278	F	47.6	Very low	41.5	Very low	68 Å²	68	90 Å²	90	30%	0.298	47%	0.467	S	S	.	.			trans	-128	117.3	-172.8	-61.9	-93.1	0	0	0	109.8	P273 T274 P275 S280 D283 F284 A287	P273-F278 HydrophobicContact CB-CD2 4.28Å; P273-F278 HydrophobicContact CB-CE2 3.33Å; P273-F278 HydrophobicContact CB-CZ 3.75Å; T274-F278 WeakPolarHBondContact O-CD2 3.5Å; P275-F278 PolarHBondContact O-N 3.11Å; F278-S280 VanDerWaalsContact C-N 3.26Å; F278-S280 PolarHBondContact O-N 3.42Å; F278-D283 HydrophobicContact CD1-CB 4.08Å; F278-F284 HydrophobicContact CB-CB 4.05Å; F278-F284 HydrophobicContact CD2-CD2 4.3Å; F278-F284 HydrophobicContact CG-CB 4.33Å; F278-A287 HydrophobicContact CE1-CB 3.86Å; F278-A287 HydrophobicContact CZ-CB 4.03Å
279	Q	42.1	Very low	42.1	Very low	207 Å²	207	88.2 Å²	88.2	97%	0.967	45%	0.449	S	S	*	.	S	Bend	trans	-66.4	-30.9	179.9	-68.7	175.3	-15.8	0	0	111.9
280	S	38.9	Very low	42.4	Very low	16 Å²	16	87.6 Å²	87.6	11%	0.112	43%	0.429	C	S	.	.	S	Bend	trans	-99.4	140.1	172.7	176	0	0	0	0	113.1	F278 E282 D283 F284 E797	F278-S280 VanDerWaalsContact C-N 3.26Å; F278-S280 PolarHBondContact O-N 3.42Å; S280-E282 PolarHBondContact O-N 2.9Å; S280-E282 PolarHBondContact OG-N 2.96Å; S280-D283 PolarHBondContact O-N 3.26Å; S280-D283 PolarHBondContact OG-N 3.38Å; S280-F284 PolarHBondContact O-N 3.12Å; S280-E797 WeakPolarHBondContact CA-OE1 3.21Å; S280-E797 VanDerWaalsContact CB-OE1 3.27Å; S280-E797 WeakPolarHBondContact CB-OE1 3.38Å; S280-E797 PolarHBondContact OG-OE1 2.89Å
281	R	38.5	Very low	42.6	Very low	154 Å²	154	86.6 Å²	86.6	58%	0.581	42%	0.422	S	S	*	.	H	α-helix	trans	-70.5	-20.4	172	-166.4	170.8	-171.4	143.5	7.2	112.3	R285 E797	R281-R285 WeakPolarHBondContact O-CB 3.36Å; R281-R285 PolarHBondContact O-N 2.92Å; R281-E797 PolarHBondContact N-OE1 3.28Å
282	E	39.8	Very low	43	Very low	51 Å²	51	84.3 Å²	84.3	24%	0.238	41%	0.409	C	S	.	.	H	α-helix	trans	-86.1	-34.6	178.2	-62.5	-178.8	117.8	0	0	111.2	S280 R285 T286 M764 P796	S280-E282 PolarHBondContact O-N 2.9Å; S280-E282 PolarHBondContact OG-N 2.96Å; E282-R285 PolarHBondContact O-N 3Å; E282-T286 WeakPolarHBondContact O-CB 3.27Å; E282-T286 WeakPolarHBondContact O-CG2 3.43Å; E282-T286 PolarHBondContact O-N 3.37Å; E282-T286 PolarHBondContact O-OG1 2.65Å; E282-M764 HydrophobicContact CG-CE 3.71Å; E282-M764 WeakPolarHBondContact OE1-CE 3.46Å; E282-P796 WeakPolarHBondContact OE2-CG 3.36Å
283	D	43.2	Very low	43.2	Very low	65 Å²	65	87.6 Å²	87.6	35%	0.348	41%	0.414	S	S	.	.	H	α-helix	trans	-62.8	-45.8	165.2	-75.5	-28.9	0	0	0	111.1	F278 S280 R285 T286 A287	F278-D283 HydrophobicContact CD1-CB 4.08Å; S280-D283 PolarHBondContact O-N 3.26Å; S280-D283 PolarHBondContact OG-N 3.38Å; D283-R285 VanDerWaalsContact C-N 3.31Å; D283-R285 PolarHBondContact O-N 3.29Å; D283-T286 WeakPolarHBondContact CA-OG1 3.31Å; D283-T286 PolarHBondContact O-N 3.16Å; D283-T286 PolarHBondContact O-OG1 2.7Å; D283-T286 VanDerWaalsContact O-OG1 3.13Å; D283-A287 WeakPolarHBondContact O-CB 3.39Å; D283-A287 PolarHBondContact O-N 3.09Å
284	F	46.6	Very low	43.2	Very low	52 Å²	52	88.1 Å²	88.1	23%	0.228	42%	0.415	C	S	.	.	H	α-helix	trans	-56.2	-45.3	171.5	173.9	-93.2	0	0	0	111.8	P273 P275 F278 S280 W288	P273-F284 WeakPolarHBondContact O-CE2 3.47Å; P275-F284 HydrophobicContact CB-CD2 4.45Å; P275-F284 HydrophobicContact CB-CE2 4.34Å; P275-F284 HydrophobicContact CG-CD2 4.46Å; P275-F284 HydrophobicContact CG-CE2 3.87Å; P275-F284 HydrophobicContact CG-CZ 4.2Å; F278-F284 HydrophobicContact CB-CB 4.05Å; F278-F284 HydrophobicContact CD2-CD2 4.3Å; F278-F284 HydrophobicContact CG-CB 4.33Å; S280-F284 PolarHBondContact O-N 3.12Å; F284-W288 WeakPolarHBondContact O-CB 3.37Å; F284-W288 PolarHBondContact O-N 2.81Å
285	R	44.1	Very low	43.1	Very low	109 Å²	109	87.5 Å²	87.5	41%	0.411	42%	0.415	S	S	.	.	H	α-helix	trans	-67.2	-41.7	-179	-173.6	-169.5	-172	130.8	-5.2	112.4	R281 E282 D283 W288 L289 T761	R281-R285 WeakPolarHBondContact O-CB 3.36Å; R281-R285 PolarHBondContact O-N 2.92Å; E282-R285 PolarHBondContact O-N 3Å; D283-R285 VanDerWaalsContact C-N 3.31Å; D283-R285 PolarHBondContact O-N 3.29Å; R285-W288 PolarHBondContact O-N 2.85Å; R285-L289 HydrophobicContact CG-CD1 4.02Å; R285-L289 HydrophobicContact CG-CG 4.45Å; R285-L289 VanDerWaalsContact O-CB 3.3Å; R285-L289 WeakPolarHBondContact O-CB 3.48Å; R285-L289 VanDerWaalsContact O-CG 3.3Å; R285-L289 WeakPolarHBondContact O-CG 3.27Å; R285-L289 PolarHBondContact O-N 3.27Å; R285-T761 PolarHBondContact NH1-OG1 2.87Å; R285-T761 PolarHBondContact NH2-OG1 3Å
286	T	44.5	Very low	43.1	Very low	72 Å²	72	90.1 Å²	90.1	44%	0.442	41%	0.413	S	S	.	.	H	α-helix	trans	-71.8	-40.3	178.2	54.2	0	0	0	0	110.7	E282 D283 W288 L289 N290	E282-T286 WeakPolarHBondContact O-CB 3.27Å; E282-T286 WeakPolarHBondContact O-CG2 3.43Å; E282-T286 PolarHBondContact O-N 3.37Å; E282-T286 PolarHBondContact O-OG1 2.65Å; D283-T286 WeakPolarHBondContact CA-OG1 3.31Å; D283-T286 PolarHBondContact O-N 3.16Å; D283-T286 PolarHBondContact O-OG1 2.7Å; D283-T286 VanDerWaalsContact O-OG1 3.13Å; T286-W288 VanDerWaalsContact C-N 3.35Å; T286-W288 PolarHBondContact O-N 3.31Å; T286-L289 PolarHBondContact O-N 3.46Å; T286-N290 WeakPolarHBondContact O-CB 3.35Å; T286-N290 PolarHBondContact O-N 3.36Å; T286-N290 PolarHBondContact O-ND2 3.04Å
287	A	44	Very low	42.7	Very low	27 Å²	27	84.5 Å²	84.5	22%	0.223	39%	0.393	C	S	.	.	H	α-helix	trans	-57.8	-44.4	169.1	0	0	0	0	0	111.7	P273 F278 D283 H291	P273-A287 HydrophobicContact CG-CB 4.49Å; F278-A287 HydrophobicContact CE1-CB 3.86Å; F278-A287 HydrophobicContact CZ-CB 4.03Å; D283-A287 WeakPolarHBondContact O-CB 3.39Å; D283-A287 PolarHBondContact O-N 3.09Å; A287-H291 WeakPolarHBondContact O-CB 3.31Å; A287-H291 PolarHBondContact O-N 3.02Å
288	W	47.8	Very low	42.5	Very low	110 Å²	110	79.7 Å²	79.7	42%	0.417	37%	0.373	S	S	.	.	H	α-helix	trans	-71	-39.5	179.3	-172.4	92.6	0	0	0	113.4	F284 R285 T286 H291 R292	F284-W288 WeakPolarHBondContact O-CB 3.37Å; F284-W288 PolarHBondContact O-N 2.81Å; R285-W288 PolarHBondContact O-N 2.85Å; T286-W288 VanDerWaalsContact C-N 3.35Å; T286-W288 PolarHBondContact O-N 3.31Å; W288-H291 PolarHBondContact O-N 2.94Å; W288-R292 PolarHBondContact O-N 2.87Å
289	L	43.3	Very low	42.2	Very low	69 Å²	69	80.9 Å²	80.9	36%	0.361	38%	0.379	S	S	.	.	H	α-helix	trans	-70.9	-36.4	174.2	-74.8	174.5	0	0	0	111.9	R285 T286 R292 K293	R285-L289 HydrophobicContact CG-CD1 4.02Å; R285-L289 HydrophobicContact CG-CG 4.45Å; R285-L289 VanDerWaalsContact O-CB 3.3Å; R285-L289 WeakPolarHBondContact O-CB 3.48Å; R285-L289 VanDerWaalsContact O-CG 3.3Å; R285-L289 WeakPolarHBondContact O-CG 3.27Å; R285-L289 PolarHBondContact O-N 3.27Å; T286-L289 PolarHBondContact O-N 3.46Å; L289-R292 PolarHBondContact O-N 3.42Å; L289-K293 WeakPolarHBondContact O-CB 3.47Å; L289-K293 VanDerWaalsContact O-CG 3.31Å; L289-K293 WeakPolarHBondContact O-CG 3.34Å; L289-K293 PolarHBondContact O-N 2.94Å
290	N	41.9	Very low	42.1	Very low	55 Å²	55	75.3 Å²	75.3	29%	0.294	36%	0.356	S	S	.	.	H	α-helix	trans	-66.5	-47	171	-71.3	-18.8	0	0	0	109.6	T286 R292 K293 L294	T286-N290 WeakPolarHBondContact O-CB 3.35Å; T286-N290 PolarHBondContact O-N 3.36Å; T286-N290 PolarHBondContact O-ND2 3.04Å; N290-R292 VanDerWaalsContact C-N 3.26Å; N290-R292 PolarHBondContact O-N 3.48Å; N290-K293 CarbonylContact O-C 3.55Å; N290-K293 PolarHBondContact O-N 2.94Å; N290-L294 HydrophobicContact CB-CD1 4.36Å; N290-L294 WeakPolarHBondContact O-CB 3.4Å; N290-L294 WeakPolarHBondContact O-CD1 3.31Å; N290-L294 WeakPolarHBondContact O-CG 3.48Å; N290-L294 PolarHBondContact O-N 2.83Å
291	H	43.2	Very low	42.3	Very low	69 Å²	69	76.1 Å²	76.1	32%	0.319	36%	0.359	S	S	.	.	H	α-helix	trans	-54	-39.8	173	-173.6	-70.9	0	0	0	112.1	A287 W288 A295	A287-H291 WeakPolarHBondContact O-CB 3.31Å; A287-H291 PolarHBondContact O-N 3.02Å; W288-H291 PolarHBondContact O-N 2.94Å; H291-A295 WeakPolarHBondContact O-CB 3.19Å; H291-A295 PolarHBondContact O-N 3.03Å
292	R	45.6	Very low	42.3	Very low	123 Å²	123	75.2 Å²	75.2	46%	0.464	37%	0.366	S	S	.	.	H	α-helix	trans	-71.7	-35.7	173.4	-77	178.7	66.9	101.2	-4.9	114.2	W288 L289 N290 R296	W288-R292 PolarHBondContact O-N 2.87Å; L289-R292 PolarHBondContact O-N 3.42Å; N290-R292 VanDerWaalsContact C-N 3.26Å; N290-R292 PolarHBondContact O-N 3.48Å; R292-R296 WeakPolarHBondContact O-CG 3.3Å; R292-R296 PolarHBondContact O-N 2.82Å
293	K	42.8	Very low	42	Very low	142 Å²	142	79.1 Å²	79.1	62%	0.617	39%	0.388	S	S	*	.	H	α-helix	trans	-71.7	-42.8	175.8	-75	171.3	-178.4	174.5	0	111.6	L289 N290 R296 S297	L289-K293 WeakPolarHBondContact O-CB 3.47Å; L289-K293 VanDerWaalsContact O-CG 3.31Å; L289-K293 WeakPolarHBondContact O-CG 3.34Å; L289-K293 PolarHBondContact O-N 2.94Å; N290-K293 CarbonylContact O-C 3.55Å; N290-K293 PolarHBondContact O-N 2.94Å; K293-R296 PolarHBondContact O-N 2.8Å; K293-S297 WeakPolarHBondContact O-CB 3.49Å; K293-S297 PolarHBondContact O-N 3.04Å
294	L	38.7	Very low	41.7	Very low	29 Å²	29	79.8 Å²	79.8	15%	0.152	39%	0.391	C	S	.	.	H	α-helix	trans	-61.2	-53.6	173.6	-71.6	168.7	0	0	0	110	N290 R296 S297 C298 H486	N290-L294 HydrophobicContact CB-CD1 4.36Å; N290-L294 WeakPolarHBondContact O-CB 3.4Å; N290-L294 WeakPolarHBondContact O-CD1 3.31Å; N290-L294 WeakPolarHBondContact O-CG 3.48Å; N290-L294 PolarHBondContact O-N 2.83Å; L294-R296 PolarHBondContact O-N 3.07Å; L294-R296 VanDerWaalsContact O-N 3.13Å; L294-S297 CarbonylContact O-C 3.56Å; L294-S297 WeakPolarHBondContact O-CA 3.18Å; L294-S297 WeakPolarHBondContact O-CB 3.34Å; L294-S297 PolarHBondContact O-N 3.11Å; L294-C298 WeakPolarHBondContact O-CB 3.47Å; L294-C298 PolarHBondContact O-N 2.9Å; L294-C298 PolarHBondContact O-SG 3.18Å; L294-H486 HydrophobicContact CD2-CB 4Å
295	A	39.6	Very low	41.2	Very low	33 Å²	33	80.8 Å²	80.8	27%	0.273	42%	0.416	S	S	.	.	H	α-helix	trans	-55	-35.3	175.4	0	0	0	0	0	113.2	H291 C298 H299	H291-A295 WeakPolarHBondContact O-CB 3.19Å; H291-A295 PolarHBondContact O-N 3.03Å; A295-C298 CarbonylContact O-C 3.52Å; A295-H299 PolarHBondContact O-N 3.44Å; A295-H299 PolarHBondContact O-ND1 2.93Å
296	R	42.7	Very low	40.7	Very low	143 Å²	143	84.4 Å²	84.4	54%	0.54	44%	0.437	S	S	.	.	H	α-helix	trans	-73.6	-37.3	173.4	-77.5	178	171.3	-153.6	-6.9	113.8	R292 K293 L294 C298	R292-R296 WeakPolarHBondContact O-CG 3.3Å; R292-R296 PolarHBondContact O-N 2.82Å; K293-R296 PolarHBondContact O-N 2.8Å; L294-R296 PolarHBondContact O-N 3.07Å; L294-R296 VanDerWaalsContact O-N 3.13Å; R296-C298 PolarHBondContact O-N 3.32Å
297	S	37.6	Very low	39.8	Very low	55 Å²	55	85.3 Å²	85.3	39%	0.385	45%	0.447	S	S	.	.	H	α-helix	trans	-69.2	-11.9	175.8	-172.9	0	0	0	0	113.3	K293 L294 P482	K293-S297 WeakPolarHBondContact O-CB 3.49Å; K293-S297 PolarHBondContact O-N 3.04Å; L294-S297 CarbonylContact O-C 3.56Å; L294-S297 WeakPolarHBondContact O-CA 3.18Å; L294-S297 WeakPolarHBondContact O-CB 3.34Å; L294-S297 PolarHBondContact O-N 3.11Å; S297-P482 VanDerWaalsContact OG-CB 3.23Å; S297-P482 WeakPolarHBondContact OG-CB 3.42Å
298	C	40.2	Very low	39.2	Very low	24 Å²	24	90 Å²	90	16%	0.162	48%	0.475	C	S	.	.	T	Hydrogen-bonded Turn	trans	-143.5	19.6	-162.4	-55.9	0	0	0	0	112.3	L294 A295 R296 H486 S488	L294-C298 WeakPolarHBondContact O-CB 3.47Å; L294-C298 PolarHBondContact O-N 2.9Å; L294-C298 PolarHBondContact O-SG 3.18Å; A295-C298 CarbonylContact O-C 3.52Å; R296-C298 PolarHBondContact O-N 3.32Å; C298-H486 WeakPolarHBondContact CB-ND1 3.33Å; C298-H486 WeakPolarHBondContact SG-CB 3.4Å; C298-H486 PolarHBondContact SG-ND1 3.01Å; C298-S488 WeakPolarHBondContact CB-O 3.37Å; C298-S488 PolarHBondContact SG-O 3.03Å
299	H	41.5	Very low	38.3	Very low	93 Å²	93	86.9 Å²	86.9	43%	0.431	48%	0.477	S	S	.	.	S	Bend	trans	-65	153.7	166.5	-108.9	46.1	0	0	0	109.5	A295 L304	A295-H299 PolarHBondContact O-N 3.44Å; A295-H299 PolarHBondContact O-ND1 2.93Å; H299-L304 HydrophobicContact CB-CD1 4.23Å; H299-L304 HydrophobicContact CB-CD2 3.96Å; H299-L304 HydrophobicContact CB-CG 4.03Å
300	D	39.7	Very low	37.6	Very low	90 Å²	90	93.8 Å²	93.8	48%	0.481	50%	0.498	S	S	.	.			trans	-68	140.5	163	-137.2	-19.7	0	0	0	109.3	D302 L303 K490	D300-D302 VanDerWaalsContact C-N 3.32Å; D300-D302 PolarHBondContact O-N 2.95Å; D300-L303 PolarHBondContact O-N 3.36Å; D300-K490 IonicContact OD1-NZ 2.98Å; D300-K490 PolarHBondContact OD1-NZ 2.57Å
301	L	43.8	Very low	36.8	Very low	33 Å²	33	94.5 Å²	94.5	17%	0.173	52%	0.519	C	S	.	.	G	3₁₀ helix	trans	-69.1	-39.8	-168.1	-72.3	177.7	0	0	0	110.4	L303 L304 K490 E509	L301-L303 PolarHBondContact O-N 3.47Å; L301-L304 HydrophobicContact CD2-CD1 4.15Å; L301-L304 PolarHBondContact O-N 3Å; L301-L304 VanDerWaalsContact O-N 3.11Å; L301-K490 HydrophobicContact CD1-CD 3.57Å; L301-K490 HydrophobicContact CG-CD 3.85Å; L301-E509 WeakPolarHBondContact CB-OE1 3.46Å; L301-E509 HydrophobicContact CD1-CG 4.11Å
302	D	37.7	Very low	36.1	Very low	135 Å²	135	97.1 Å²	97.1	72%	0.722	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-55.7	-11.5	175.9	-51.4	9.7	0	0	0	114.6	D300	D300-D302 VanDerWaalsContact C-N 3.32Å; D300-D302 PolarHBondContact O-N 2.95Å
303	L	33.2	Very low	35.3	Very low	134 Å²	134	96.5 Å²	96.5	70%	0.702	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-116.6	4.4	-178.9	-69.5	176.3	0	0	0	114.9	D300 L301 G305	D300-L303 PolarHBondContact O-N 3.36Å; L301-L303 PolarHBondContact O-N 3.47Å; L303-G305 PolarHBondContact O-N 2.97Å
304	L	37.4	Very low	34.7	Very low	78 Å²	78	97.6 Å²	97.6	41%	0.408	55%	0.548	S	S	.	.			trans	-79	34.6	178	-75.8	168.3	0	0	0	114.2	H299 L301	H299-L304 HydrophobicContact CB-CD1 4.23Å; H299-L304 HydrophobicContact CB-CD2 3.96Å; H299-L304 HydrophobicContact CB-CG 4.03Å; L301-L304 HydrophobicContact CD2-CD1 4.15Å; L301-L304 PolarHBondContact O-N 3Å; L301-L304 VanDerWaalsContact O-N 3.11Å
305	G	36.6	Very low	34.5	Very low	73 Å²	73	100.6 Å²	100.6	75%	0.753	57%	0.57	S	S	*	*			trans	-91	-1.4	-176.9	0	0	0	0	0	116.7	L303	L303-G305 PolarHBondContact O-N 2.97Å
306	Q	32.4	Very low	34.8	Very low	186 Å²	186	102.5 Å²	102.5	87%	0.869	58%	0.578	S	S	*	*	S	Bend	trans	-137.7	67.1	-173.3	-64.2	-169.7	8	0	0	114.7
307	S	25.4	Very low	35.4	Very low	91 Å²	91	98.8 Å²	98.8	64%	0.636	57%	0.567	S	S	*	*			trans	175	116.4	141.3	39.4	0	0	0	0	114.1	G309	S307-G309 PolarHBondContact O-N 2.94Å
308	P	32.8	Very low	36.5	Very low	125 Å²	125	97 Å²	97	81%	0.812	55%	0.553	S	S	*	*			trans	-80.8	57.8	167.1	34.4	-34.5	0	0	0	111.4
309	G	27.9	Very low	38.3	Very low	45 Å²	45	99.8 Å²	99.8	46%	0.464	57%	0.567	S	S	.	*			trans	-92.7	113.1	179.9	0	0	0	0	0	112.2	S307 G311	S307-G309 PolarHBondContact O-N 2.94Å; G309-G311 PolarHBondContact O-N 2.76Å; G309-G311 VanDerWaalsContact O-N 3.09Å
310	W	28.3	Very low	40.2	Very low	213 Å²	213	97.5 Å²	97.5	81%	0.807	56%	0.557	S	S	*	*	S	Bend	trans	-51.6	109.6	-166.1	-85	69.2	0	0	0	115.4	Q312	W310-Q312 HydrophobicContact CD2-CB 4.11Å; W310-Q312 HydrophobicContact CE3-CB 3.56Å; W310-Q312 HydrophobicContact CH2-CB 4.44Å; W310-Q312 HydrophobicContact CZ3-CB 3.75Å
311	G	25.7	Very low	42.4	Very low	70 Å²	70	97 Å²	97	72%	0.722	56%	0.557	S	S	*	*			trans	-118.9	27.4	152.8	0	0	0	0	0	111	G309 T313	G309-G311 PolarHBondContact O-N 2.76Å; G309-G311 VanDerWaalsContact O-N 3.09Å; G311-T313 PolarHBondContact O-N 3.3Å; G311-T313 VanDerWaalsContact O-N 3.09Å
312	Q	28.9	Very low	44.2	Very low	125 Å²	125	97.3 Å²	97.3	58%	0.584	56%	0.562	S	S	*	*			trans	-87	80.4	-164.3	-141.8	175	14.2	0	0	111.6	W310	W310-Q312 HydrophobicContact CD2-CB 4.11Å; W310-Q312 HydrophobicContact CE3-CB 3.56Å; W310-Q312 HydrophobicContact CH2-CB 4.44Å; W310-Q312 HydrophobicContact CZ3-CB 3.75Å
313	T	29	Very low	46.5	Very low	109 Å²	109	97.3 Å²	97.3	67%	0.669	56%	0.555	S	S	*	*			trans	-60	144.6	153.5	47.2	0	0	0	0	109.1	G311	G311-T313 PolarHBondContact O-N 3.3Å; G311-T313 VanDerWaalsContact O-N 3.09Å
314	Q	30.8	Very low	49.1	Very low	166 Å²	166	92 Å²	92	78%	0.776	53%	0.527	S	S	*	.			trans	-53.1	153.7	175.9	-69.7	-178.5	-3.8	0	0	111.7	V316	Q314-V316 VanDerWaalsContact O-CG2 3.32Å; Q314-V316 WeakPolarHBondContact O-CG2 3.45Å; Q314-V316 PolarHBondContact O-N 3.04Å
315	P	34.1	Very low	51.4	Low	92 Å²	92	92.2 Å²	92.2	60%	0.597	53%	0.529	S	S	*	.			trans	-64.8	102.2	-178.9	26.3	-34.7	0	0	0	111	E317 L506	P315-E317 PolarHBondContact O-N 3.39Å; P315-L506 HydrophobicContact CB-CD1 3.95Å
316	V	46.1	Very low	53.8	Low	73 Å²	73	90.2 Å²	90.2	44%	0.442	50%	0.504	S	S	.	.			trans	-80.6	65.9	179.2	-165.1	0	0	0	0	110.4	Q314	Q314-V316 VanDerWaalsContact O-CG2 3.32Å; Q314-V316 WeakPolarHBondContact O-CG2 3.45Å; Q314-V316 PolarHBondContact O-N 3.04Å
317	E	53.7	Low	56.3	Low	65 Å²	65	84.9 Å²	84.9	30%	0.304	49%	0.486	S	S	.	.			trans	-62.5	139.4	143.9	-72	172.1	-95	0	0	107.5	P315 N319 K358	P315-E317 PolarHBondContact O-N 3.39Å; E317-N319 PolarHBondContact O-N 3.22Å; E317-K358 WeakPolarHBondContact OE1-CE 3.23Å; E317-K358 IonicContact OE1-NZ 3.89Å; E317-K358 PolarHBondContact OE1-NZ 3.45Å; E317-K358 VanDerWaalsContact OE2-CE 3.23Å; E317-K358 WeakPolarHBondContact OE2-CE 3.42Å; E317-K358 IonicContact OE2-NZ 2.68Å; E317-K358 PolarHBondContact OE2-NZ 2.76Å
318	T	62.1	Low	59.2	Low	17 Å²	17	80.9 Å²	80.9	10%	0.104	46%	0.46	C	S	.	.	S	Bend	trans	-58.5	109.6	-179.2	35.6	0	0	0	0	110.7	K358 A359 P502	T318-K358 WeakPolarHBondContact O-CA 3.43Å; T318-A359 PolarHBondContact O-N 2.86Å; T318-P502 HydrophobicContact CG2-CB 3.89Å
319	N	77.4	Confident	61.8	Low	83 Å²	83	76.6 Å²	76.6	44%	0.444	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	158.7	180	68.8	-14.5	0	0	0	112.1	E317 M357 K358	E317-N319 PolarHBondContact O-N 3.22Å; N319-M357 CarbonylContact C-O 3.57Å; N319-M357 VanDerWaalsContact CA-O 3.24Å; N319-M357 WeakPolarHBondContact CA-O 3.5Å; N319-K358 HydrophobicContact CB-CB 4.24Å; N319-K358 HydrophobicContact CB-CG 4.16Å
320	I	81.8	Confident	64.8	Low	45 Å²	45	77.6 Å²	77.6	23%	0.231	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	144	168.8	-173.1	167.1	0	0	0	109.3	V331 Q332 L333 S356 M357	I320-V331 HydrophobicContact CD1-CG1 4Å; I320-V331 HydrophobicContact CG1-CG1 4.3Å; I320-V331 HydrophobicContact CG2-CG1 3.9Å; I320-Q332 VanDerWaalsContact CD1-O 3.26Å; I320-Q332 WeakPolarHBondContact CD1-O 3.37Å; I320-L333 HydrophobicContact CG2-CD1 4Å; I320-S356 WeakPolarHBondContact O-CA 3.39Å; I320-M357 HydrophobicContact CG2-CB 4.01Å; I320-M357 HydrophobicContact CG2-CE 4Å; I320-M357 PolarHBondContact N-O 2.68Å; I320-M357 PolarHBondContact O-N 3.35Å
321	V	85.5	Confident	67.7	Low	80 Å²	80	67.6 Å²	67.6	49%	0.485	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	123	171.8	-173.3	0	0	0	0	107.9	Q354 I355	V321-Q354 HydrophobicContact CG1-CG 3.96Å; V321-I355 WeakPolarHBondContact CA-O 3.45Å
322	C	82	Confident	70.7	Confident	39 Å²	39	69.6 Å²	69.6	26%	0.264	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	157.4	179.9	-164.7	0	0	0	0	110.3	V331 Q354 I355	C322-V331 HydrophobicContact CB-CG1 3.91Å; C322-V331 HydrophobicContact CB-CG2 3.72Å; C322-Q354 CarbonylContact O-C 3.46Å; C322-Q354 VanDerWaalsContact O-CA 3.3Å; C322-Q354 WeakPolarHBondContact O-CA 3.47Å; C322-Q354 WeakPolarHBondContact O-CG 3.3Å; C322-I355 PolarHBondContact N-O 3.36Å; C322-I355 PolarHBondContact O-N 3.19Å
323	K	86.5	Confident	73.3	Confident	134 Å²	134	63.7 Å²	63.7	58%	0.583	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124	127	166.5	-72.8	-167.5	171.8	-164.1	0	108.5	Q353 Q354	K323-Q353 WeakPolarHBondContact CA-O 3.45Å; K323-Q354 HydrophobicContact CG-CB 3.93Å; K323-Q354 HydrophobicContact CG-CG 3.87Å
324	L	86.1	Confident	75.7	Confident	23 Å²	23	61.3 Å²	61.3	12%	0.12	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	148.3	174.8	-56.7	176.9	0	0	0	108.6	V331 V342 T352 Q353	L324-V331 HydrophobicContact CD1-CG2 4.12Å; L324-V342 HydrophobicContact CD1-CB 3.87Å; L324-V342 HydrophobicContact CD1-CG1 4.46Å; L324-V342 HydrophobicContact CD1-CG2 3.72Å; L324-T352 CarbonylContact O-C 3.56Å; L324-T352 WeakPolarHBondContact O-CA 3.37Å; L324-T352 WeakPolarHBondContact O-CB 3.23Å; L324-Q353 PolarHBondContact N-O 3.33Å; L324-Q353 PolarHBondContact O-N 2.93Å
325	D	85.9	Confident	77.8	Confident	82 Å²	82	57.5 Å²	57.5	44%	0.439	34%	0.339	S	S	.	.			trans	-98.2	-165.7	171	61.2	41.1	0	0	0	110.6	S327 G328 T352	D325-S327 PolarHBondContact O-N 2.86Å; D325-S327 VanDerWaalsContact O-N 3.1Å; D325-S327 VanDerWaalsContact OD1-CB 3.27Å; D325-S327 WeakPolarHBondContact OD1-CB 3.27Å; D325-S327 PolarHBondContact OD1-N 3.4Å; D325-S327 PolarHBondContact OD1-OG 3.45Å; D325-G328 PolarHBondContact O-N 2.65Å; D325-G328 VanDerWaalsContact O-N 3.15Å; D325-T352 HydrophobicContact CB-CG2 4.47Å
326	S	88	Confident	80.2	Confident	32 Å²	32	53.5 Å²	53.5	22%	0.224	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-10.7	179.8	57.2	0	0	0	0	114.8	G328 G345 V347	S326-G328 VanDerWaalsContact C-N 3.26Å; S326-G328 PolarHBondContact O-N 3.2Å; S326-G345 PolarHBondContact O-N 2.76Å; S326-V347 WeakPolarHBondContact CB-O 3.2Å
327	S	84.9	Confident	82.1	Confident	73 Å²	73	53.9 Å²	53.9	51%	0.51	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-11.2	172.8	65.5	0	0	0	0	114	D325	D325-S327 PolarHBondContact O-N 2.86Å; D325-S327 VanDerWaalsContact O-N 3.1Å; D325-S327 VanDerWaalsContact OD1-CB 3.27Å; D325-S327 WeakPolarHBondContact OD1-CB 3.27Å; D325-S327 PolarHBondContact OD1-N 3.4Å; D325-S327 PolarHBondContact OD1-OG 3.45Å
328	G	85.1	Confident	83.9	Confident	7 Å²	7	51.1 Å²	51.1	7%	0.072	30%	0.3	C	S	.	.			trans	76.6	-148.8	-179	0	0	0	0	0	112.8	D325 S326 V342	D325-G328 PolarHBondContact O-N 2.65Å; D325-G328 VanDerWaalsContact O-N 3.15Å; S326-G328 VanDerWaalsContact C-N 3.26Å; S326-G328 PolarHBondContact O-N 3.2Å; G328-V342 WeakPolarHBondContact CA-O 3.22Å
329	G	89.2	Confident	85.3	Confident	35 Å²	35	51.1 Å²	51.1	36%	0.361	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	135.7	-172.8	176.8	0	0	0	0	0	114.1	V342	G329-V342 PolarHBondContact N-O 2.66Å; G329-V342 PolarHBondContact O-N 3.23Å
330	A	89.6	Confident	86	Confident	66 Å²	66	47.2 Å²	47.2	55%	0.545	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.4	-178.6	0	0	0	0	0	112.4	I340	A330-I340 CarbonylContact C-O 3.57Å; A330-I340 WeakPolarHBondContact CA-O 3.4Å
331	V	89.3	Confident	86.5	Confident	4 Å²	4	48 Å²	48	2%	0.024	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	106.2	-179	-174.3	0	0	0	0	109.2	I320 C322 L324 S339 I340 M357	I320-V331 HydrophobicContact CD1-CG1 4Å; I320-V331 HydrophobicContact CG1-CG1 4.3Å; I320-V331 HydrophobicContact CG2-CG1 3.9Å; C322-V331 HydrophobicContact CB-CG1 3.91Å; C322-V331 HydrophobicContact CB-CG2 3.72Å; L324-V331 HydrophobicContact CD1-CG2 4.12Å; V331-S339 CarbonylContact O-C 3.54Å; V331-S339 WeakPolarHBondContact O-CA 3.4Å; V331-I340 PolarHBondContact N-O 3.42Å; V331-I340 PolarHBondContact O-N 3.36Å; V331-M357 HydrophobicContact CG1-CE 4.36Å; V331-M357 VanDerWaalsContact O-CE 3.29Å; V331-M357 WeakPolarHBondContact O-CE 3.39Å
332	Q	88.8	Confident	86.8	Confident	112 Å²	112	44.7 Å²	44.7	52%	0.523	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	137.3	176.7	-171.3	179.2	0.7	0	0	111.3	I320 T336 I338	I320-Q332 VanDerWaalsContact CD1-O 3.26Å; I320-Q332 WeakPolarHBondContact CD1-O 3.37Å; Q332-T336 PolarHBondContact NE2-O 3.37Å; Q332-I338 WeakPolarHBondContact CA-O 3.39Å; Q332-I338 WeakPolarHBondContact CG-O 3.43Å
333	L	84.4	Confident	87.3	Confident	0 Å²	0	45 Å²	45	0%	0	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-76.1	124.5	173.5	-177.4	71.5	0	0	0	110.1	I320 D335 T336 I338 M357 A359 L379	I320-L333 HydrophobicContact CG2-CD1 4Å; L333-D335 PolarHBondContact O-N 2.82Å; L333-T336 WeakPolarHBondContact CB-OG1 3.44Å; L333-T336 HydrophobicContact CD2-CG2 4.22Å; L333-T336 PolarHBondContact O-N 2.96Å; L333-T336 PolarHBondContact O-OG1 3.03Å; L333-I338 HydrophobicContact CB-CB 4.41Å; L333-I338 PolarHBondContact N-O 2.62Å; L333-M357 HydrophobicContact CB-CE 3.76Å; L333-M357 HydrophobicContact CB-CG 4.49Å; L333-M357 HydrophobicContact CB-SD 4.06Å; L333-M357 HydrophobicContact CD1-CG 4.29Å; L333-A359 HydrophobicContact CD2-CB 3.55Å; L333-L379 HydrophobicContact CD2-CD2 4.42Å
334	P	79.6	Confident	87.5	Confident	60 Å²	60	46.2 Å²	46.2	39%	0.39	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	136.8	-172.8	-29.7	36	0	0	0	114.2	T336	P334-T336 PolarHBondContact O-N 2.88Å
335	D	74.6	Confident	87.5	Confident	85 Å²	85	46.6 Å²	46.6	46%	0.455	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	19.7	177.9	-54.6	-57.5	0	0	0	115.4	L333 K503	L333-D335 PolarHBondContact O-N 2.82Å; D335-K503 WeakPolarHBondContact OD1-CE 3.15Å; D335-K503 IonicContact OD1-NZ 2.93Å; D335-K503 PolarHBondContact OD1-NZ 3.36Å; D335-K503 WeakPolarHBondContact OD2-CD 3.4Å; D335-K503 WeakPolarHBondContact OD2-CE 3.21Å; D335-K503 IonicContact OD2-NZ 3.66Å; D335-K503 PolarHBondContact OD2-NZ 2.82Å
336	T	83.1	Confident	87.6	Confident	9 Å²	9	42.8 Å²	42.8	6%	0.055	26%	0.261	C	S	.	.	S	Bend	trans	-133.2	157.3	176.7	71.4	0	0	0	0	112.5	Q332 L333 P334 I338 C500	Q332-T336 PolarHBondContact NE2-O 3.37Å; L333-T336 WeakPolarHBondContact CB-OG1 3.44Å; L333-T336 HydrophobicContact CD2-CG2 4.22Å; L333-T336 PolarHBondContact O-N 2.96Å; L333-T336 PolarHBondContact O-OG1 3.03Å; P334-T336 PolarHBondContact O-N 2.88Å; T336-I338 PolarHBondContact O-N 2.92Å; T336-C500 HydrophobicContact CG2-CB 4.29Å
337	N	86.3	Confident	87.8	Confident	80 Å²	80	41.4 Å²	41.4	43%	0.428	25%	0.251	S	S	.	.	S	Bend	trans	-89.1	55.1	173.9	-59.7	-45.7	0	0	0	109.9	M396 K397 E499	N337-M396 WeakPolarHBondContact O-CA 3.48Å; N337-K397 HydrophobicContact CB-CB 3.64Å; N337-K397 HydrophobicContact CB-CD 4Å; N337-K397 PolarHBondContact O-N 3.14Å; N337-E499 PolarHBondContact ND2-OE1 3.44Å; N337-E499 PolarHBondContact ND2-OE2 3.47Å
338	I	90.9	Very high	87.9	Confident	7 Å²	7	39.7 Å²	39.7	4%	0.036	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	122.7	-176.1	-53.7	-177.3	0	0	0	108.8	Q332 L333 T336 M357 P377 L379 L394 E395 M396	Q332-I338 WeakPolarHBondContact CA-O 3.39Å; Q332-I338 WeakPolarHBondContact CG-O 3.43Å; L333-I338 HydrophobicContact CB-CB 4.41Å; L333-I338 PolarHBondContact N-O 2.62Å; T336-I338 PolarHBondContact O-N 2.92Å; I338-M357 HydrophobicContact CG2-SD 3.95Å; I338-P377 HydrophobicContact CD1-CG 3.67Å; I338-L379 HydrophobicContact CD1-CD1 4.42Å; I338-L379 HydrophobicContact CD1-CD2 3.96Å; I338-L379 HydrophobicContact CG2-CD1 3.57Å; I338-L379 HydrophobicContact CG2-CD2 4.11Å; I338-L394 HydrophobicContact CG2-CD1 4.31Å; I338-E395 WeakPolarHBondContact CA-O 3.41Å; I338-M396 HydrophobicContact CG1-CB 4.11Å; I338-M396 HydrophobicContact CG2-CB 4.3Å
339	S	92.1	Very high	87.9	Confident	17 Å²	17	44.7 Å²	44.7	12%	0.119	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	148.1	-175.5	47	0	0	0	0	112.9	V331 E395	V331-S339 CarbonylContact O-C 3.54Å; V331-S339 WeakPolarHBondContact O-CA 3.4Å; S339-E395 PolarHBondContact N-O 2.9Å; S339-E395 PolarHBondContact O-N 3.05Å
340	I	93.3	Very high	87.5	Confident	1 Å²	1	47 Å²	47	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	119.9	177.2	-64	175.8	0	0	0	107.8	A330 V331 V342 I355 M357 I381 I392 I393 L394	A330-I340 CarbonylContact C-O 3.57Å; A330-I340 WeakPolarHBondContact CA-O 3.4Å; V331-I340 PolarHBondContact N-O 3.42Å; V331-I340 PolarHBondContact O-N 3.36Å; I340-V342 HydrophobicContact CG2-CG2 4.39Å; I340-I355 HydrophobicContact CD1-CG2 4.03Å; I340-I355 HydrophobicContact CG2-CD1 4.26Å; I340-M357 HydrophobicContact CD1-CB 4.06Å; I340-M357 HydrophobicContact CD1-CE 3.86Å; I340-M357 HydrophobicContact CD1-CG 4.22Å; I340-M357 HydrophobicContact CD1-SD 3.61Å; I340-M357 HydrophobicContact CG1-CE 3.94Å; I340-M357 HydrophobicContact CG1-SD 3.86Å; I340-I381 HydrophobicContact CD1-CD1 3.81Å; I340-I381 HydrophobicContact CD1-CG1 4.09Å; I340-I381 HydrophobicContact CD1-CG2 4.16Å; I340-I392 HydrophobicContact CG2-CG2 3.25Å; I340-I393 CarbonylContact C-O 3.59Å; I340-I393 WeakPolarHBondContact CA-O 3.28Å; I340-L394 HydrophobicContact CG1-CD1 3.89Å
341	H	91.9	Very high	87.3	Confident	63 Å²	63	47 Å²	47	29%	0.292	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	128.9	175.8	-47.6	-76.8	0	0	0	110	I393 E395	H341-I393 HydrophobicContact CB-CB 4.29Å; H341-I393 PolarHBondContact N-O 3.1Å; H341-I393 PolarHBondContact O-N 3.44Å; H341-E395 IonicContact CD2-OE2 2.79Å; H341-E395 IonicContact CE1-OE2 3.31Å; H341-E395 IonicContact NE2-OE2 3.4Å; H341-E395 PolarHBondContact NE2-OE2 2.8Å
342	V	92.3	Very high	87.2	Confident	9 Å²	9	50 Å²	50	6%	0.055	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	120.2	179.6	-177.2	0	0	0	0	108.2	L324 G328 G329 I340 H346 I355 I392	L324-V342 HydrophobicContact CD1-CB 3.87Å; L324-V342 HydrophobicContact CD1-CG1 4.46Å; L324-V342 HydrophobicContact CD1-CG2 3.72Å; G328-V342 WeakPolarHBondContact CA-O 3.22Å; G329-V342 PolarHBondContact N-O 2.66Å; G329-V342 PolarHBondContact O-N 3.23Å; I340-V342 HydrophobicContact CG2-CG2 4.39Å; V342-H346 HydrophobicContact CG1-CB 3.63Å; V342-H346 VanDerWaalsContact CG1-CD2 3.46Å; V342-H346 WeakPolarHBondContact CG1-CD2 3.4Å; V342-I355 HydrophobicContact CG2-CD1 3.46Å; V342-I355 VanDerWaalsContact CG2-CD1 3.46Å; V342-I392 HydrophobicContact CG2-CD1 4.47Å; V342-I392 HydrophobicContact CG2-CG1 4.39Å; V342-I392 HydrophobicContact CG2-CG2 4.35Å
343	P	90.9	Very high	87.1	Confident	45 Å²	45	44.7 Å²	44.7	29%	0.292	28%	0.275	S	S	.	.			trans	-71.6	158.6	-179.1	31.3	-36.1	0	0	0	111.9	H346 T390 F391	P343-H346 WeakPolarHBondContact O-CB 3.46Å; P343-H346 PolarHBondContact O-N 3.23Å; P343-T390 HydrophobicContact CG-CG2 4.22Å; P343-T390 WeakPolarHBondContact CG-OG1 3.48Å; P343-F391 WeakPolarHBondContact CD-O 3.12Å
344	E	90.8	Very high	87.3	Confident	160 Å²	160	48 Å²	48	75%	0.748	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	145.2	171.6	-175	170.6	-166	0	0	111.1	H346	E344-H346 VanDerWaalsContact C-N 3.31Å; E344-H346 PolarHBondContact O-N 2.93Å
345	G	86.4	Confident	87.8	Confident	32 Å²	32	45.1 Å²	45.1	33%	0.33	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	6.7	-178.8	0	0	0	0	0	115.7	S326 V347	S326-G345 PolarHBondContact O-N 2.76Å; G345-V347 VanDerWaalsContact C-N 3.33Å; G345-V347 PolarHBondContact O-N 2.86Å
346	H	89	Confident	88.5	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.009	26%	0.26	C	S	.	.	S	Bend	trans	-57	-38.9	-178.6	179.6	69.3	0	0	0	114.5	V342 P343 E344 V388 K389 T390	V342-H346 HydrophobicContact CG1-CB 3.63Å; V342-H346 VanDerWaalsContact CG1-CD2 3.46Å; V342-H346 WeakPolarHBondContact CG1-CD2 3.4Å; P343-H346 WeakPolarHBondContact O-CB 3.46Å; P343-H346 PolarHBondContact O-N 3.23Å; E344-H346 VanDerWaalsContact C-N 3.31Å; E344-H346 PolarHBondContact O-N 2.93Å; H346-V388 VanDerWaalsContact CE1-CG1 3.48Å; H346-V388 WeakPolarHBondContact CE1-CG1 3.43Å; H346-V388 WeakPolarHBondContact NE2-CG1 3.26Å; H346-V388 WeakPolarHBondContact O-CA 3.37Å; H346-K389 PolarHBondContact O-N 2.98Å; H346-T390 VanDerWaalsContact CA-OG1 3.3Å; H346-T390 WeakPolarHBondContact CA-OG1 3.33Å; H346-T390 WeakPolarHBondContact CB-OG1 3.37Å; H346-T390 PolarHBondContact CE1-O 3.14Å; H346-T390 VanDerWaalsContact CE1-O 3.25Å; H346-T390 PolarHBondContact ND1-O 2.9Å; H346-T390 PolarHBondContact ND1-OG1 2.8Å
347	V	90.5	Very high	88.8	Confident	2 Å²	2	42 Å²	42	1%	0.012	26%	0.258	C	S	.	.	S	Bend	trans	-118.8	165	173.2	-66.1	0	0	0	0	110.6	S326 G345 E351 Q353	S326-V347 WeakPolarHBondContact CB-O 3.2Å; G345-V347 VanDerWaalsContact C-N 3.33Å; G345-V347 PolarHBondContact O-N 2.86Å; V347-E351 HydrophobicContact CB-CB 4.12Å; V347-E351 HydrophobicContact CG2-CB 4.3Å; V347-Q353 HydrophobicContact CG1-CB 3.97Å
348	C	88.1	Confident	89	Confident	37 Å²	37	40.3 Å²	40.3	25%	0.25	25%	0.246	C	C	.	.			trans	-68.6	151	178.9	-59.7	0	0	0	0	112.2	G350 E351 K389	C348-G350 PolarHBondContact O-N 3.05Å; C348-G350 VanDerWaalsContact O-N 3.15Å; C348-E351 HydrophobicContact CB-CG 4.31Å; C348-E351 WeakPolarHBondContact CB-OE1 3.3Å; C348-E351 PolarHBondContact N-OE2 3.07Å; C348-E351 WeakPolarHBondContact O-CB 3.49Å; C348-E351 PolarHBondContact O-N 2.96Å; C348-K389 VanDerWaalsContact SG-CE 3.56Å; C348-K389 PolarHBondContact SG-NZ 3.38Å
349	P	84.9	Confident	88.8	Confident	113 Å²	113	40 Å²	40	73%	0.734	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	119.9	173.7	-25.5	35.5	0	0	0	111.8
350	G	81.3	Confident	88.6	Confident	83 Å²	83	40.6 Å²	40.6	86%	0.856	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	102.6	-12.6	-174.5	0	0	0	0	0	114.9	C348	C348-G350 PolarHBondContact O-N 3.05Å; C348-G350 VanDerWaalsContact O-N 3.15Å
351	E	85.4	Confident	88	Confident	67 Å²	67	41.7 Å²	41.7	31%	0.313	25%	0.252	S	S	.	.			trans	-91.9	165.6	170.4	-68.3	166	-160.8	0	0	111.6	V347 C348 N385	V347-E351 HydrophobicContact CB-CB 4.12Å; V347-E351 HydrophobicContact CG2-CB 4.3Å; C348-E351 HydrophobicContact CB-CG 4.31Å; C348-E351 WeakPolarHBondContact CB-OE1 3.3Å; C348-E351 PolarHBondContact N-OE2 3.07Å; C348-E351 WeakPolarHBondContact O-CB 3.49Å; C348-E351 PolarHBondContact O-N 2.96Å; E351-N385 PolarHBondContact OE2-ND2 2.94Å
352	T	86.7	Confident	87.6	Confident	65 Å²	65	41 Å²	41	40%	0.399	25%	0.251	S	S	.	.			trans	-136.2	133.6	175.7	65.5	0	0	0	0	111.9	L324 D325	L324-T352 CarbonylContact O-C 3.56Å; L324-T352 WeakPolarHBondContact O-CA 3.37Å; L324-T352 WeakPolarHBondContact O-CB 3.23Å; D325-T352 HydrophobicContact CB-CG2 4.47Å
353	Q	86.4	Confident	87.3	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	115.2	169.3	-170.2	64.6	-39.7	0	0	110.2	K323 L324 V347 I355 N385	K323-Q353 WeakPolarHBondContact CA-O 3.45Å; L324-Q353 PolarHBondContact N-O 3.33Å; L324-Q353 PolarHBondContact O-N 2.93Å; V347-Q353 HydrophobicContact CG1-CB 3.97Å; Q353-I355 HydrophobicContact CG-CD1 4.21Å; Q353-I355 HydrophobicContact CG-CG1 3.88Å; Q353-N385 PolarHBondContact NE2-O 3.47Å; Q353-N385 VanDerWaalsContact OE1-CB 3.27Å; Q353-N385 PolarHBondContact OE1-O 2.95Å
354	Q	89.8	Confident	87	Confident	70 Å²	70	39.7 Å²	39.7	33%	0.327	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	122.3	168.1	-172	178.3	-36.8	0	0	109	V321 C322 K323 S384	V321-Q354 HydrophobicContact CG1-CG 3.96Å; C322-Q354 CarbonylContact O-C 3.46Å; C322-Q354 VanDerWaalsContact O-CA 3.3Å; C322-Q354 WeakPolarHBondContact O-CA 3.47Å; C322-Q354 WeakPolarHBondContact O-CG 3.3Å; K323-Q354 HydrophobicContact CG-CB 3.93Å; K323-Q354 HydrophobicContact CG-CG 3.87Å; Q354-S384 VanDerWaalsContact CB-OG 3.31Å; Q354-S384 WeakPolarHBondContact CB-OG 3.48Å; Q354-S384 PolarHBondContact N-OG 3Å; Q354-S384 PolarHBondContact O-N 3Å
355	I	89	Confident	86.5	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.7	177.4	-56.2	-170	0	0	0	108.6	V321 C322 I340 V342 Q353 L383 I392	V321-I355 WeakPolarHBondContact CA-O 3.45Å; C322-I355 PolarHBondContact N-O 3.36Å; C322-I355 PolarHBondContact O-N 3.19Å; I340-I355 HydrophobicContact CD1-CG2 4.03Å; I340-I355 HydrophobicContact CG2-CD1 4.26Å; V342-I355 HydrophobicContact CG2-CD1 3.46Å; V342-I355 VanDerWaalsContact CG2-CD1 3.46Å; Q353-I355 HydrophobicContact CG-CD1 4.21Å; Q353-I355 HydrophobicContact CG-CG1 3.88Å; I355-L383 HydrophobicContact CB-CD2 4.39Å; I355-L383 HydrophobicContact CD1-CD2 4.15Å; I355-L383 HydrophobicContact CG1-CD2 3.79Å; I355-L383 HydrophobicContact CG2-CD2 4.21Å; I355-I392 HydrophobicContact CD1-CD1 4.18Å
356	S	90	Very high	86.3	Confident	29 Å²	29	42.5 Å²	42.5	20%	0.203	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	126.6	171	-178.4	0	0	0	0	108.9	I320 I381 K382	I320-S356 WeakPolarHBondContact O-CA 3.39Å; S356-I381 CarbonylContact O-C 3.58Å; S356-I381 WeakPolarHBondContact O-CA 3.34Å; S356-K382 PolarHBondContact N-O 3.41Å; S356-K382 PolarHBondContact O-N 2.94Å
357	M	89.7	Confident	86.1	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	133.4	179	173.2	171.8	39.6	0	0	109.5	N319 I320 V331 L333 I338 I340 Q380	N319-M357 CarbonylContact C-O 3.57Å; N319-M357 VanDerWaalsContact CA-O 3.24Å; N319-M357 WeakPolarHBondContact CA-O 3.5Å; I320-M357 HydrophobicContact CG2-CB 4.01Å; I320-M357 HydrophobicContact CG2-CE 4Å; I320-M357 PolarHBondContact N-O 2.68Å; I320-M357 PolarHBondContact O-N 3.35Å; V331-M357 HydrophobicContact CG1-CE 4.36Å; V331-M357 VanDerWaalsContact O-CE 3.29Å; V331-M357 WeakPolarHBondContact O-CE 3.39Å; L333-M357 HydrophobicContact CB-CE 3.76Å; L333-M357 HydrophobicContact CB-CG 4.49Å; L333-M357 HydrophobicContact CB-SD 4.06Å; L333-M357 HydrophobicContact CD1-CG 4.29Å; I338-M357 HydrophobicContact CG2-SD 3.95Å; I340-M357 HydrophobicContact CD1-CB 4.06Å; I340-M357 HydrophobicContact CD1-CE 3.86Å; I340-M357 HydrophobicContact CD1-CG 4.22Å; I340-M357 HydrophobicContact CD1-SD 3.61Å; I340-M357 HydrophobicContact CG1-CE 3.94Å; I340-M357 HydrophobicContact CG1-SD 3.86Å; M357-Q380 WeakPolarHBondContact CA-O 3.39Å
358	K	88.8	Confident	85.9	Confident	43 Å²	43	43 Å²	43	19%	0.187	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	125.1	-176.9	-174.8	-168.8	-164.2	-136.2	0	110.2	E317 T318 N319 Q380	E317-K358 WeakPolarHBondContact OE1-CE 3.23Å; E317-K358 IonicContact OE1-NZ 3.89Å; E317-K358 PolarHBondContact OE1-NZ 3.45Å; E317-K358 VanDerWaalsContact OE2-CE 3.23Å; E317-K358 WeakPolarHBondContact OE2-CE 3.42Å; E317-K358 IonicContact OE2-NZ 2.68Å; E317-K358 PolarHBondContact OE2-NZ 2.76Å; T318-K358 WeakPolarHBondContact O-CA 3.43Å; N319-K358 HydrophobicContact CB-CB 4.24Å; N319-K358 HydrophobicContact CB-CG 4.16Å; K358-Q380 HydrophobicContact CB-CB 4.38Å; K358-Q380 PolarHBondContact N-O 2.89Å; K358-Q380 PolarHBondContact O-N 2.94Å
359	A	88.4	Confident	85.9	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.008	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	125.8	174.6	0	0	0	0	0	111.5	T318 L333 P377 L379	T318-A359 PolarHBondContact O-N 2.86Å; L333-A359 HydrophobicContact CD2-CB 3.55Å; A359-P377 HydrophobicContact CB-CB 4.06Å; A359-P377 HydrophobicContact CB-CG 4.22Å; A359-L379 HydrophobicContact CB-CD2 3.92Å
360	M	86.2	Confident	86	Confident	30 Å²	30	41.8 Å²	41.8	15%	0.148	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	125.7	172.7	-54.2	-164.7	70.7	0	0	109.2	V378 K422 Y451	M360-V378 HydrophobicContact CB-CB 4.39Å; M360-V378 WeakPolarHBondContact CB-O 3.45Å; M360-V378 PolarHBondContact N-O 3.12Å; M360-V378 PolarHBondContact O-N 2.86Å; M360-V378 VanDerWaalsContact O-N 3.13Å; M360-K422 HydrophobicContact CE-CD 3.95Å; M360-K422 HydrophobicContact SD-CD 4.18Å; M360-K422 HydrophobicContact SD-CG 4.49Å; M360-Y451 HydrophobicContact SD-CE1 4.47Å
361	L	82.3	Confident	86.3	Confident	23 Å²	23	42.8 Å²	42.8	12%	0.12	22%	0.222	C	C	.	.	S	Bend	trans	-82.7	-31	-169.2	-56.9	170.8	0	0	0	113.3	F496 H498 P502 V570	L361-F496 HydrophobicContact CD1-CE1 4.39Å; L361-F496 HydrophobicContact CD2-CE1 4.39Å; L361-H498 PolarHBondContact O-NE2 2.97Å; L361-P502 HydrophobicContact CD1-CG 4.07Å; L361-V570 HydrophobicContact CB-CG2 4.17Å; L361-V570 WeakPolarHBondContact O-CG2 3.3Å
362	D	82.7	Confident	86.5	Confident	50 Å²	50	40.1 Å²	40.1	27%	0.267	21%	0.211	S	C	.	.	S	Bend	trans	-104	113	178.3	-67.8	-80.4	0	0	0	109	K569 V570 R572	D362-K569 WeakPolarHBondContact OD1-CG 3.26Å; D362-V570 WeakPolarHBondContact OD1-CB 3.4Å; D362-V570 PolarHBondContact OD1-N 2.78Å; D362-R572 IonicContact OD1-NH1 2.81Å; D362-R572 PolarHBondContact OD1-NH1 3.28Å; D362-R572 IonicContact OD2-CZ 3.23Å; D362-R572 VanDerWaalsContact OD2-CZ 3.3Å; D362-R572 IonicContact OD2-NH1 2.81Å; D362-R572 PolarHBondContact OD2-NH1 2.98Å; D362-R572 IonicContact OD2-NH2 2.72Å; D362-R572 PolarHBondContact OD2-NH2 3.01Å
363	P	85.1	Confident	86.7	Confident	19 Å²	19	37 Å²	37	12%	0.123	19%	0.192	C	C	.	.			trans	-76.2	157.7	-177.2	31.1	-35.4	0	0	0	112.8	L367 T374 V378 G568	P363-L367 HydrophobicContact CB-CD1 4.48Å; P363-T374 HydrophobicContact CB-CG2 4.36Å; P363-V378 HydrophobicContact CB-CG2 3.8Å; P363-G568 WeakPolarHBondContact CD-O 3.44Å
364	P	84.9	Confident	86.9	Confident	6 Å²	6	37.3 Å²	37.3	4%	0.039	19%	0.193	C	C	.	.			trans	-55.9	146.2	164.6	-22.6	32.6	0	0	0	112.2	E366 L367 K422 Y426	P364-E366 VanDerWaalsContact C-N 3.27Å; P364-E366 PolarHBondContact O-N 2.95Å; P364-L367 HydrophobicContact CB-CG 4.43Å; P364-L367 HydrophobicContact CG-CD1 4.41Å; P364-L367 PolarHBondContact O-N 3.46Å; P364-K422 WeakPolarHBondContact CG-O 3.48Å; P364-Y426 HydrophobicContact CG-CE2 4.12Å
365	L	80.3	Confident	87	Confident	116 Å²	116	34 Å²	34	61%	0.607	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-64.9	-32	-177.4	-58.3	176.6	0	0	0	112.2	L367 N368 L567	L365-L367 PolarHBondContact O-N 2.94Å; L365-L367 VanDerWaalsContact O-N 3.11Å; L365-N368 PolarHBondContact O-N 3.31Å; L365-N368 VanDerWaalsContact O-N 3.08Å; L365-L567 HydrophobicContact CD2-CD1 4.47Å; L365-L567 HydrophobicContact CD2-CD2 4.27Å
366	E	81.9	Confident	87.1	Confident	135 Å²	135	34.1 Å²	34.1	63%	0.631	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-57.6	-25	177.3	-59.8	-174.1	-170.3	0	0	113.4	P364 N368	P364-E366 VanDerWaalsContact C-N 3.27Å; P364-E366 PolarHBondContact O-N 2.95Å; E366-N368 PolarHBondContact O-N 3.23Å
367	L	85.5	Confident	87.2	Confident	3 Å²	3	33 Å²	33	2%	0.016	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-80.9	3.5	179.6	-58.3	-173.2	0	0	0	114.1	P363 P364 L365 T374 V378 L417 Y426 A453	P363-L367 HydrophobicContact CB-CD1 4.48Å; P364-L367 HydrophobicContact CB-CG 4.43Å; P364-L367 HydrophobicContact CG-CD1 4.41Å; P364-L367 PolarHBondContact O-N 3.46Å; L365-L367 PolarHBondContact O-N 2.94Å; L365-L367 VanDerWaalsContact O-N 3.11Å; L367-T374 WeakPolarHBondContact CB-OG1 3.47Å; L367-T374 HydrophobicContact CD1-CG2 4.33Å; L367-T374 PolarHBondContact O-N 3.16Å; L367-T374 PolarHBondContact O-OG1 2.93Å; L367-V378 HydrophobicContact CD1-CG2 3.98Å; L367-L417 HydrophobicContact CD2-CD1 3.97Å; L367-Y426 HydrophobicContact CD1-CE1 4.42Å; L367-Y426 HydrophobicContact CD1-CE2 4.44Å; L367-Y426 HydrophobicContact CD2-CD1 4.03Å; L367-Y426 HydrophobicContact CD2-CD2 3.71Å; L367-Y426 HydrophobicContact CD2-CE1 4.41Å; L367-Y426 HydrophobicContact CD2-CE2 4.12Å; L367-Y426 HydrophobicContact CD2-CG 3.67Å; L367-Y426 HydrophobicContact CG-CD2 4.4Å; L367-Y426 HydrophobicContact CG-CE2 4.38Å; L367-A453 HydrophobicContact CD1-CB 3.72Å
368	N	87.6	Confident	87.3	Confident	11 Å²	11	33.1 Å²	33.1	6%	0.059	17%	0.171	C	C	.	.			trans	-140	119.5	-178.2	-70.1	-76.4	0	0	0	112.7	L365 E366 C372 S373 T374 K566 L567	L365-N368 PolarHBondContact O-N 3.31Å; L365-N368 VanDerWaalsContact O-N 3.08Å; E366-N368 PolarHBondContact O-N 3.23Å; N368-C372 CarbonylContact C-O 3.57Å; N368-C372 WeakPolarHBondContact CA-O 3.32Å; N368-S373 VanDerWaalsContact OD1-CA 3.3Å; N368-S373 WeakPolarHBondContact OD1-CA 3.45Å; N368-S373 PolarHBondContact OD1-OG 3.24Å; N368-T374 PolarHBondContact ND2-OG1 2.66Å; N368-T374 PolarHBondContact OD1-N 3.49Å; N368-T374 PolarHBondContact OD1-OG1 2.96Å; N368-K566 VanDerWaalsContact CB-O 3.31Å; N368-K566 WeakPolarHBondContact CB-O 3.32Å; N368-K566 PolarHBondContact OD1-O 3.01Å; N368-L567 PolarHBondContact ND2-O 3.36Å
369	S	87	Confident	87.5	Confident	52 Å²	52	31 Å²	31	36%	0.364	16%	0.163	S	C	.	.	B	Isolated β-bridge	trans	-151.8	-175.3	178.9	68.6	0	0	0	0	110.2	K371 C372	S369-K371 PolarHBondContact O-N 3.07Å; S369-K371 PolarHBondContact OG-N 2.9Å; S369-C372 PolarHBondContact N-O 3.13Å; S369-C372 PolarHBondContact O-N 3.24Å; S369-C372 PolarHBondContact OG-N 2.91Å
370	D	86.3	Confident	87.7	Confident	74 Å²	74	32.3 Å²	32.3	40%	0.396	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-18.4	172.8	-66	-76.2	0	0	0	113.5	T466 V467 K566	D370-T466 HydrophobicContact CB-CG2 4.36Å; D370-T466 CarbonylContact O-C 3.56Å; D370-T466 WeakPolarHBondContact O-CA 3.36Å; D370-T466 VanDerWaalsContact OD1-CG2 3.31Å; D370-T466 WeakPolarHBondContact OD1-CG2 3.26Å; D370-V467 PolarHBondContact O-N 2.96Å; D370-K566 WeakPolarHBondContact OD1-CE 3.28Å; D370-K566 IonicContact OD1-NZ 3.77Å; D370-K566 PolarHBondContact OD1-NZ 3.22Å; D370-K566 IonicContact OD2-NZ 2.91Å; D370-K566 PolarHBondContact OD2-NZ 3.3Å
371	K	87.6	Confident	88	Confident	104 Å²	104	31 Å²	31	45%	0.452	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-3.3	-180	-60.8	-172.7	179.9	-177.5	0	114	S369 Q457 G458 I461	S369-K371 PolarHBondContact O-N 3.07Å; S369-K371 PolarHBondContact OG-N 2.9Å; K371-Q457 CarbonylContact O-C 3.55Å; K371-Q457 WeakPolarHBondContact O-CA 3.33Å; K371-G458 PolarHBondContact O-N 2.84Å; K371-I461 VanDerWaalsContact CE-O 3.23Å; K371-I461 WeakPolarHBondContact CE-O 3.5Å; K371-I461 HydrophobicContact CG-CB 4.46Å
372	C	89.9	Confident	88.5	Confident	11 Å²	11	34.1 Å²	34.1	7%	0.074	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	138.7	-176.5	-167.9	0	0	0	0	110.5	N368 S369 A456	N368-C372 CarbonylContact C-O 3.57Å; N368-C372 WeakPolarHBondContact CA-O 3.32Å; S369-C372 PolarHBondContact N-O 3.13Å; S369-C372 PolarHBondContact O-N 3.24Å; S369-C372 PolarHBondContact OG-N 2.91Å; C372-A456 CarbonylContact C-O 3.55Å; C372-A456 WeakPolarHBondContact CA-O 3.38Å
373	S	91.1	Very high	88.8	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	139.3	166.7	-167.8	0	0	0	0	111.7	N368 V455 A456 K473	N368-S373 VanDerWaalsContact OD1-CA 3.3Å; N368-S373 WeakPolarHBondContact OD1-CA 3.45Å; N368-S373 PolarHBondContact OD1-OG 3.24Å; S373-V455 CarbonylContact O-C 3.57Å; S373-V455 VanDerWaalsContact O-CA 3.3Å; S373-V455 WeakPolarHBondContact O-CA 3.38Å; S373-A456 PolarHBondContact N-O 3.19Å; S373-A456 PolarHBondContact O-N 3.01Å; S373-K473 PolarHBondContact OG-NZ 3.33Å
374	T	91.6	Very high	89	Confident	6 Å²	6	34.8 Å²	34.8	4%	0.037	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	138.1	178.8	-28.8	0	0	0	0	111	P363 L367 N368 S376 A453 A454 K473	P363-T374 HydrophobicContact CB-CG2 4.36Å; L367-T374 WeakPolarHBondContact CB-OG1 3.47Å; L367-T374 HydrophobicContact CD1-CG2 4.33Å; L367-T374 PolarHBondContact O-N 3.16Å; L367-T374 PolarHBondContact O-OG1 2.93Å; N368-T374 PolarHBondContact ND2-OG1 2.66Å; N368-T374 PolarHBondContact OD1-N 3.49Å; N368-T374 PolarHBondContact OD1-OG1 2.96Å; T374-S376 WeakPolarHBondContact CG2-O 3.45Å; T374-A453 HydrophobicContact CG2-CB 4.18Å; T374-A454 WeakPolarHBondContact CG2-O 3.45Å; T374-K473 PolarHBondContact O-NZ 2.95Å
375	I	91.8	Very high	89	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.			trans	-128.1	2.9	-176.6	65	179	0	0	0	113.4	V398 S399 A400 L414 A454 A456	I375-V398 HydrophobicContact CB-CB 4.46Å; I375-V398 HydrophobicContact CD1-CB 3.82Å; I375-V398 HydrophobicContact CD1-CG1 3.86Å; I375-V398 HydrophobicContact CD1-CG2 4.28Å; I375-V398 HydrophobicContact CG1-CB 3.95Å; I375-V398 HydrophobicContact CG1-CG1 3.9Å; I375-S399 WeakPolarHBondContact O-CB 3.29Å; I375-S399 PolarHBondContact O-N 3.41Å; I375-A400 HydrophobicContact CB-CB 4.21Å; I375-A400 HydrophobicContact CG2-CB 3.6Å; I375-L414 HydrophobicContact CD1-CD1 4.48Å; I375-L414 HydrophobicContact CD1-CD2 3.83Å; I375-A454 HydrophobicContact CD1-CB 4.32Å; I375-A454 HydrophobicContact CG1-CB 3.72Å; I375-A454 WeakPolarHBondContact CG1-O 3.23Å; I375-A454 PolarHBondContact N-O 3.01Å; I375-A456 HydrophobicContact CG2-CB 4.21Å
376	S	91.4	Very high	89.4	Confident	4 Å²	4	33.9 Å²	33.9	3%	0.028	18%	0.176	C	C	.	.	S	Bend	trans	-127.4	169.6	167.9	70.9	0	0	0	0	109.9	T374 A454	T374-S376 WeakPolarHBondContact CG2-O 3.45Å; S376-A454 PolarHBondContact OG-N 3.25Å
377	P	90.9	Very high	89.5	Confident	5 Å²	5	34.6 Å²	34.6	3%	0.032	18%	0.18	C	C	.	.			trans	-61.5	162	154	30.3	-37.4	0	0	0	110.6	I338 A359 L379 H498 C500	I338-P377 HydrophobicContact CD1-CG 3.67Å; A359-P377 HydrophobicContact CB-CB 4.06Å; A359-P377 HydrophobicContact CB-CG 4.22Å; P377-L379 HydrophobicContact CG-CD2 4.4Å; P377-H498 VanDerWaalsContact CA-CD2 3.4Å; P377-H498 WeakPolarHBondContact CA-CD2 3.24Å; P377-H498 VanDerWaalsContact N-CD2 3.29Å; P377-C500 HydrophobicContact CB-CB 4.24Å; P377-C500 HydrophobicContact CG-CB 3.81Å
378	V	91.6	Very high	89.5	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	121.2	171.1	-176.2	0	0	0	0	108.5	M360 P363 L367 A453	M360-V378 HydrophobicContact CB-CB 4.39Å; M360-V378 WeakPolarHBondContact CB-O 3.45Å; M360-V378 PolarHBondContact N-O 3.12Å; M360-V378 PolarHBondContact O-N 2.86Å; M360-V378 VanDerWaalsContact O-N 3.13Å; P363-V378 HydrophobicContact CB-CG2 3.8Å; L367-V378 HydrophobicContact CD1-CG2 3.98Å; V378-A453 HydrophobicContact CG2-CB 4.07Å
379	L	92.9	Very high	89.3	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	115.6	-176.5	-63.6	173.4	0	0	0	110.3	L333 I338 A359 P377 L394 M396 Y451 I452	L333-L379 HydrophobicContact CD2-CD2 4.42Å; I338-L379 HydrophobicContact CD1-CD1 4.42Å; I338-L379 HydrophobicContact CD1-CD2 3.96Å; I338-L379 HydrophobicContact CG2-CD1 3.57Å; I338-L379 HydrophobicContact CG2-CD2 4.11Å; A359-L379 HydrophobicContact CB-CD2 3.92Å; P377-L379 HydrophobicContact CG-CD2 4.4Å; L379-L394 HydrophobicContact CD1-CD1 4.03Å; L379-L394 HydrophobicContact CD1-CD2 4.23Å; L379-M396 HydrophobicContact CD1-CE 3.72Å; L379-Y451 CarbonylContact O-C 3.54Å; L379-Y451 VanDerWaalsContact O-CA 3.31Å; L379-Y451 WeakPolarHBondContact O-CA 3.02Å; L379-I452 PolarHBondContact N-O 2.96Å; L379-I452 PolarHBondContact O-N 3.33Å
380	Q	93	Very high	89.3	Confident	28 Å²	28	42 Å²	42	13%	0.131	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	118	162.5	177	179	84.9	0	0	108.4	M357 K358 K382 M450 Y451	M357-Q380 WeakPolarHBondContact CA-O 3.39Å; K358-Q380 HydrophobicContact CB-CB 4.38Å; K358-Q380 PolarHBondContact N-O 2.89Å; K358-Q380 PolarHBondContact O-N 2.94Å; Q380-K382 HydrophobicContact CG-CG 4.29Å; Q380-M450 WeakPolarHBondContact CA-O 3.3Å; Q380-Y451 HydrophobicContact CB-CD1 4.1Å; Q380-Y451 HydrophobicContact CB-CE1 3.97Å; Q380-Y451 HydrophobicContact CG-CD1 4.45Å; Q380-Y451 HydrophobicContact CG-CE1 3.96Å; Q380-Y451 PolarHBondContact NE2-OH 3.42Å
381	I	93.1	Very high	89.4	Confident	3 Å²	3	42 Å²	42	2%	0.015	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	134	173	-57.5	176.9	0	0	0	107.8	I340 S356 L383 L394 L443 C449 M450 I452	I340-I381 HydrophobicContact CD1-CD1 3.81Å; I340-I381 HydrophobicContact CD1-CG1 4.09Å; I340-I381 HydrophobicContact CD1-CG2 4.16Å; S356-I381 CarbonylContact O-C 3.58Å; S356-I381 WeakPolarHBondContact O-CA 3.34Å; I381-L383 HydrophobicContact CG2-CD2 4.23Å; I381-L383 HydrophobicContact CG2-CG 4.48Å; I381-L394 HydrophobicContact CD1-CD1 4.44Å; I381-L394 HydrophobicContact CD1-CD2 4.13Å; I381-L443 HydrophobicContact CD1-CD1 4.16Å; I381-C449 CarbonylContact O-C 3.58Å; I381-C449 WeakPolarHBondContact O-CA 3.31Å; I381-M450 HydrophobicContact CG2-CE 4.41Å; I381-M450 PolarHBondContact N-O 3.31Å; I381-M450 PolarHBondContact O-N 2.89Å; I381-I452 HydrophobicContact CD1-CD1 4.03Å
382	K	91.6	Very high	89.6	Confident	88 Å²	88	37.1 Å²	37.1	38%	0.383	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	142.3	172.2	-54.5	-170.1	-177.8	-170.3	0	111.2	S356 Q380 P448 C449	S356-K382 PolarHBondContact N-O 3.41Å; S356-K382 PolarHBondContact O-N 2.94Å; Q380-K382 HydrophobicContact CG-CG 4.29Å; K382-P448 WeakPolarHBondContact CA-O 3.22Å; K382-P448 VanDerWaalsContact CB-O 3.32Å; K382-P448 WeakPolarHBondContact CB-O 3Å; K382-C449 HydrophobicContact CD-CB 4.48Å; K382-C449 VanDerWaalsContact CE-SG 3.6Å; K382-C449 HydrophobicContact CG-CB 4.14Å
383	L	90.8	Very high	89.7	Confident	13 Å²	13	38.7 Å²	38.7	7%	0.068	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	149.9	-173.7	-58.2	176.6	0	0	0	109.7	I355 I381 M386 I392 L446 P448 M450	I355-L383 HydrophobicContact CB-CD2 4.39Å; I355-L383 HydrophobicContact CD1-CD2 4.15Å; I355-L383 HydrophobicContact CG1-CD2 3.79Å; I355-L383 HydrophobicContact CG2-CD2 4.21Å; I381-L383 HydrophobicContact CG2-CD2 4.23Å; I381-L383 HydrophobicContact CG2-CG 4.48Å; L383-M386 HydrophobicContact CB-SD 4.36Å; L383-I392 HydrophobicContact CD1-CD1 4.22Å; L383-I392 HydrophobicContact CD2-CD1 4.02Å; L383-L446 HydrophobicContact CD1-CB 3.82Å; L383-L446 HydrophobicContact CD1-CD1 3.86Å; L383-L446 HydrophobicContact CD1-CD2 4Å; L383-L446 HydrophobicContact CD1-CG 4.12Å; L383-P448 PolarHBondContact N-O 3.19Å; L383-P448 VanDerWaalsContact N-O 3.17Å; L383-M450 HydrophobicContact CD1-CE 3.65Å; L383-M450 HydrophobicContact CG-CE 4.35Å
384	S	88.9	Confident	89.8	Confident	69 Å²	69	38.8 Å²	38.8	48%	0.483	20%	0.195	S	C	.	.	S	Bend	trans	-106.1	-31.9	-176.7	65.3	0	0	0	0	115.5	Q354	Q354-S384 VanDerWaalsContact CB-OG 3.31Å; Q354-S384 WeakPolarHBondContact CB-OG 3.48Å; Q354-S384 PolarHBondContact N-OG 3Å; Q354-S384 PolarHBondContact O-N 3Å
385	N	84.8	Confident	89.9	Confident	31 Å²	31	41 Å²	41	17%	0.166	21%	0.205	C	C	.	.			trans	-113	138.5	173.4	-170.4	6.1	0	0	0	108.7	E351 Q353 E387	E351-N385 PolarHBondContact OE2-ND2 2.94Å; Q353-N385 PolarHBondContact NE2-O 3.47Å; Q353-N385 VanDerWaalsContact OE1-CB 3.27Å; Q353-N385 PolarHBondContact OE1-O 2.95Å; N385-E387 PolarHBondContact OD1-N 2.87Å
386	M	88.1	Confident	89.9	Confident	72 Å²	72	41.1 Å²	41.1	36%	0.355	21%	0.205	S	C	.	.			trans	-112.3	-12.4	-179	-48.7	-49.1	-57.2	0	0	111.8	L383 V388 L446 E447 P448	L383-M386 HydrophobicContact CB-SD 4.36Å; M386-V388 PolarHBondContact O-N 3.13Å; M386-L446 VanDerWaalsContact CE-C 3.46Å; M386-L446 HydrophobicContact CE-CB 4.1Å; M386-L446 WeakPolarHBondContact CE-O 3.24Å; M386-E447 VanDerWaalsContact CE-C 3.49Å; M386-P448 HydrophobicContact CE-CG 4.25Å; M386-P448 HydrophobicContact CG-CG 4.37Å; M386-P448 HydrophobicContact SD-CB 4.37Å; M386-P448 HydrophobicContact SD-CG 3.88Å
387	E	83.7	Confident	89.8	Confident	151 Å²	151	43.7 Å²	43.7	71%	0.706	22%	0.216	S	C	*	.			trans	-80.8	53.6	178	-61.1	-175.4	-160.9	0	0	110.8	N385	N385-E387 PolarHBondContact OD1-N 2.87Å
388	V	86.3	Confident	89.8	Confident	39 Å²	39	43.6 Å²	43.6	24%	0.236	22%	0.215	C	C	.	.			trans	-89.9	155.2	-174.5	-59.6	0	0	0	0	112.3	H346 M386 L446	H346-V388 VanDerWaalsContact CE1-CG1 3.48Å; H346-V388 WeakPolarHBondContact CE1-CG1 3.43Å; H346-V388 WeakPolarHBondContact NE2-CG1 3.26Å; H346-V388 WeakPolarHBondContact O-CA 3.37Å; M386-V388 PolarHBondContact O-N 3.13Å; V388-L446 HydrophobicContact CG1-CD1 4.31Å; V388-L446 HydrophobicContact CG2-CD1 3.84Å
389	K	82.4	Confident	89.7	Confident	135 Å²	135	43.6 Å²	43.6	59%	0.587	22%	0.215	S	C	*	.	S	Bend	trans	-106.1	-7.5	-179.3	-64.9	174	-173.6	167.9	0	114.3	H346 C348	H346-K389 PolarHBondContact O-N 2.98Å; C348-K389 VanDerWaalsContact SG-CE 3.56Å; C348-K389 PolarHBondContact SG-NZ 3.38Å
390	T	86.9	Confident	89.5	Confident	46 Å²	46	43.6 Å²	43.6	28%	0.282	22%	0.216	S	C	.	.	S	Bend	trans	-149.1	155.3	-170.8	56.2	0	0	0	0	111.3	P343 H346	P343-T390 HydrophobicContact CG-CG2 4.22Å; P343-T390 WeakPolarHBondContact CG-OG1 3.48Å; H346-T390 VanDerWaalsContact CA-OG1 3.3Å; H346-T390 WeakPolarHBondContact CA-OG1 3.33Å; H346-T390 WeakPolarHBondContact CB-OG1 3.37Å; H346-T390 PolarHBondContact CE1-O 3.14Å; H346-T390 VanDerWaalsContact CE1-O 3.25Å; H346-T390 PolarHBondContact ND1-O 2.9Å; H346-T390 PolarHBondContact ND1-OG1 2.8Å
391	F	89.1	Confident	89.2	Confident	74 Å²	74	45.9 Å²	45.9	33%	0.325	23%	0.226	S	C	.	.			trans	-68.1	162.1	169.7	57.9	-104.5	0	0	0	111.9	P343 I393 Q442 L443 E444	P343-F391 WeakPolarHBondContact CD-O 3.12Å; F391-I393 HydrophobicContact CD2-CG1 4.03Å; F391-I393 HydrophobicContact CE2-CD1 4.13Å; F391-I393 HydrophobicContact CE2-CG1 3.8Å; F391-Q442 HydrophobicContact CD2-CB 4.2Å; F391-Q442 HydrophobicContact CD2-CG 3.75Å; F391-Q442 HydrophobicContact CE2-CG 3.8Å; F391-Q442 HydrophobicContact CG-CB 4.36Å; F391-Q442 HydrophobicContact CG-CG 4.3Å; F391-Q442 HydrophobicContact CZ-CG 4.36Å; F391-L443 WeakPolarHBondContact CA-O 3.45Å; F391-L443 WeakPolarHBondContact CB-O 3.16Å; F391-E444 HydrophobicContact CB-CG 4.08Å
392	I	91.8	Very high	88.9	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	142.8	170.7	-65.2	178.9	0	0	0	108.7	I340 V342 I355 L383 L443 L446	I340-I392 HydrophobicContact CG2-CG2 3.25Å; V342-I392 HydrophobicContact CG2-CD1 4.47Å; V342-I392 HydrophobicContact CG2-CG1 4.39Å; V342-I392 HydrophobicContact CG2-CG2 4.35Å; I355-I392 HydrophobicContact CD1-CD1 4.18Å; L383-I392 HydrophobicContact CD1-CD1 4.22Å; L383-I392 HydrophobicContact CD2-CD1 4.02Å; I392-L443 HydrophobicContact CB-CB 4.33Å; I392-L443 HydrophobicContact CG2-CD1 4.38Å; I392-L443 PolarHBondContact N-O 3.17Å; I392-L443 VanDerWaalsContact N-O 3.12Å; I392-L443 WeakPolarHBondContact O-CB 3.44Å; I392-L443 PolarHBondContact O-N 3.02Å; I392-L446 HydrophobicContact CB-CD2 4.42Å; I392-L446 HydrophobicContact CD1-CD1 3.69Å; I392-L446 HydrophobicContact CD1-CD2 4.26Å; I392-L446 HydrophobicContact CG1-CD1 3.95Å; I392-L446 HydrophobicContact CG1-CD2 4.39Å
393	I	92.7	Very high	88.7	Confident	45 Å²	45	45.9 Å²	45.9	23%	0.231	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	126.5	175.3	-53.3	173.7	0	0	0	109.2	I340 H341 F391 Q440 Q442	I340-I393 CarbonylContact C-O 3.59Å; I340-I393 WeakPolarHBondContact CA-O 3.28Å; H341-I393 HydrophobicContact CB-CB 4.29Å; H341-I393 PolarHBondContact N-O 3.1Å; H341-I393 PolarHBondContact O-N 3.44Å; F391-I393 HydrophobicContact CD2-CG1 4.03Å; F391-I393 HydrophobicContact CE2-CD1 4.13Å; F391-I393 HydrophobicContact CE2-CG1 3.8Å; I393-Q440 HydrophobicContact CG2-CB 4.23Å; I393-Q442 HydrophobicContact CG1-CG 4.3Å
394	L	93.2	Very high	88.2	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	122.2	170.1	173.4	62.3	0	0	0	109.5	I338 I340 L379 I381 M396 Q440 V441 L443 I452	I338-L394 HydrophobicContact CG2-CD1 4.31Å; I340-L394 HydrophobicContact CG1-CD1 3.89Å; L379-L394 HydrophobicContact CD1-CD1 4.03Å; L379-L394 HydrophobicContact CD1-CD2 4.23Å; I381-L394 HydrophobicContact CD1-CD1 4.44Å; I381-L394 HydrophobicContact CD1-CD2 4.13Å; L394-M396 HydrophobicContact CD1-CE 4.39Å; L394-M396 HydrophobicContact CD2-CE 3.53Å; L394-M396 HydrophobicContact CG-CE 3.87Å; L394-Q440 CarbonylContact O-C 3.58Å; L394-Q440 VanDerWaalsContact O-CA 3.28Å; L394-Q440 WeakPolarHBondContact O-CA 3.41Å; L394-V441 PolarHBondContact N-O 3.18Å; L394-V441 PolarHBondContact O-N 3.22Å; L394-L443 HydrophobicContact CB-CD1 4.17Å; L394-L443 HydrophobicContact CB-CD2 4.41Å; L394-L443 HydrophobicContact CB-CG 4.32Å; L394-I452 HydrophobicContact CD2-CB 4.23Å; L394-I452 HydrophobicContact CD2-CD1 3.92Å; L394-I452 HydrophobicContact CD2-CG2 3.83Å
395	E	92.6	Very high	88.1	Confident	54 Å²	54	52.9 Å²	52.9	25%	0.252	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	131.3	175.2	-177.3	174	154.2	0	0	109.9	I338 S339 H341 T438 I439 Q440	I338-E395 WeakPolarHBondContact CA-O 3.41Å; S339-E395 PolarHBondContact N-O 2.9Å; S339-E395 PolarHBondContact O-N 3.05Å; H341-E395 IonicContact CD2-OE2 2.79Å; H341-E395 IonicContact CE1-OE2 3.31Å; H341-E395 IonicContact NE2-OE2 3.4Å; H341-E395 PolarHBondContact NE2-OE2 2.8Å; E395-T438 HydrophobicContact CG-CG2 3.91Å; E395-I439 WeakPolarHBondContact CA-O 3.34Å; E395-Q440 HydrophobicContact CB-CG 3.91Å; E395-Q440 HydrophobicContact CG-CG 3.81Å; E395-Q440 PolarHBondContact OE2-NE2 3.18Å
396	M	91.4	Very high	87.9	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	148.1	174.6	70.9	178.9	82	0	0	112.9	N337 I338 L379 L394 I439 I452 A454	N337-M396 WeakPolarHBondContact O-CA 3.48Å; I338-M396 HydrophobicContact CG1-CB 4.11Å; I338-M396 HydrophobicContact CG2-CB 4.3Å; L379-M396 HydrophobicContact CD1-CE 3.72Å; L394-M396 HydrophobicContact CD1-CE 4.39Å; L394-M396 HydrophobicContact CD2-CE 3.53Å; L394-M396 HydrophobicContact CG-CE 3.87Å; M396-I439 HydrophobicContact CG-CD1 3.89Å; M396-I439 HydrophobicContact CG-CG1 3.6Å; M396-I439 PolarHBondContact N-O 2.79Å; M396-I439 WeakPolarHBondContact O-CG1 3.24Å; M396-I439 PolarHBondContact O-N 3.46Å; M396-I439 HydrophobicContact SD-CD1 4.25Å; M396-I452 HydrophobicContact CE-CG2 4.43Å; M396-A454 HydrophobicContact SD-CB 3.96Å
397	K	89.4	Confident	87.6	Confident	59 Å²	59	61 Å²	61	26%	0.257	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	124.7	168.9	-166.3	176.2	169.3	83.2	0	110.7	N337 D437 E499	N337-K397 HydrophobicContact CB-CB 3.64Å; N337-K397 HydrophobicContact CB-CD 4Å; N337-K397 PolarHBondContact O-N 3.14Å; K397-D437 CarbonylContact C-O 3.38Å; K397-D437 VanDerWaalsContact CA-O 3.29Å; K397-D437 WeakPolarHBondContact CA-O 3.3Å; K397-D437 VanDerWaalsContact CE-OD2 3.28Å; K397-D437 WeakPolarHBondContact CE-OD2 3.39Å; K397-D437 WeakPolarHBondContact CG-O 3.49Å; K397-D437 IonicContact NZ-OD1 2.92Å; K397-D437 PolarHBondContact NZ-OD1 2.96Å; K397-D437 IonicContact NZ-OD2 2.75Å; K397-D437 PolarHBondContact NZ-OD2 3.28Å; K397-E499 WeakPolarHBondContact CD-OE2 3.4Å
398	V	91	Very high	87.6	Confident	2 Å²	2	54 Å²	54	1%	0.012	27%	0.27	C	S	.	.			trans	-91.7	157.8	178.1	-66.4	0	0	0	0	112.1	I375 L414 D437 I439 A454	I375-V398 HydrophobicContact CB-CB 4.46Å; I375-V398 HydrophobicContact CD1-CB 3.82Å; I375-V398 HydrophobicContact CD1-CG1 3.86Å; I375-V398 HydrophobicContact CD1-CG2 4.28Å; I375-V398 HydrophobicContact CG1-CB 3.95Å; I375-V398 HydrophobicContact CG1-CG1 3.9Å; V398-L414 HydrophobicContact CG2-CD1 4.36Å; V398-D437 HydrophobicContact CG2-CB 4.48Å; V398-D437 WeakPolarHBondContact CG2-O 3.41Å; V398-D437 PolarHBondContact N-O 3.3Å; V398-I439 HydrophobicContact CG1-CD1 3.62Å; V398-I439 HydrophobicContact CG1-CG1 3.94Å; V398-I439 HydrophobicContact CG1-CG2 4.33Å; V398-I439 HydrophobicContact CG2-CG2 4.5Å; V398-A454 HydrophobicContact CG1-CB 3.65Å
399	S	89.8	Confident	87.4	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.014	28%	0.282	C	S	.	.	S	Bend	trans	-108.3	24.6	-177.1	-54.6	0	0	0	0	113.1	I375 K473 K474 H498 E499	I375-S399 WeakPolarHBondContact O-CB 3.29Å; I375-S399 PolarHBondContact O-N 3.41Å; S399-K473 CarbonylContact O-C 3.59Å; S399-K474 PolarHBondContact O-N 2.65Å; S399-H498 VanDerWaalsContact OG-CA 3.28Å; S399-H498 WeakPolarHBondContact OG-CA 3.38Å; S399-E499 PolarHBondContact OG-N 3.38Å
400	A	89.2	Confident	87.3	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.008	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	148.9	163.9	0	0	0	0	0	111.4	I375 I471 S472 K473	I375-A400 HydrophobicContact CB-CB 4.21Å; I375-A400 HydrophobicContact CG2-CB 3.6Å; A400-I471 HydrophobicContact CB-CB 4.47Å; A400-I471 HydrophobicContact CB-CD1 4.06Å; A400-S472 VanDerWaalsContact CA-O 3.29Å; A400-S472 WeakPolarHBondContact CA-O 3.44Å; A400-K473 HydrophobicContact CB-CB 4.14Å; A400-K473 HydrophobicContact CB-CG 4.27Å
401	E	87.1	Confident	87.2	Confident	75 Å²	75	55.7 Å²	55.7	35%	0.35	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	141.6	172.8	-70.4	162	-144.8	0	0	108.6	D437 I471 S472 K474	E401-D437 HydrophobicContact CG-CB 4.37Å; E401-I471 CarbonylContact O-C 3.59Å; E401-I471 WeakPolarHBondContact O-CA 3.4Å; E401-S472 PolarHBondContact N-O 3.13Å; E401-S472 PolarHBondContact O-N 3.42Å; E401-K474 WeakPolarHBondContact OE1-CE 3.27Å; E401-K474 IonicContact OE1-NZ 3.72Å; E401-K474 PolarHBondContact OE1-NZ 3.06Å
402	V	87.1	Confident	87.1	Confident	33 Å²	33	52.3 Å²	52.3	20%	0.2	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	134.7	172.9	-175.1	0	0	0	0	108.7	S408 K409 V412 L414 I471	V402-S408 WeakPolarHBondContact CG1-O 3.22Å; V402-K409 HydrophobicContact CG1-CG 4.19Å; V402-V412 HydrophobicContact CG2-CG1 4.47Å; V402-L414 HydrophobicContact CG2-CD2 3.73Å; V402-L414 HydrophobicContact CG2-CG 3.98Å; V402-I471 HydrophobicContact CG2-CG2 4.44Å
403	K	86.7	Confident	86.9	Confident	59 Å²	59	53.8 Å²	53.8	26%	0.257	29%	0.285	S	S	.	.			trans	-58.5	147.4	179.7	-66.6	176	-169.8	175.7	0	109.9	D405 S408 D469 Y470 I471	K403-D405 WeakPolarHBondContact CB-OD2 3.4Å; K403-D405 PolarHBondContact O-N 3.29Å; K403-S408 WeakPolarHBondContact O-CB 3.48Å; K403-D469 WeakPolarHBondContact CE-O 3.27Å; K403-D469 PolarHBondContact NZ-O 2.8Å; K403-Y470 WeakPolarHBondContact CB-O 3.43Å; K403-Y470 WeakPolarHBondContact CG-O 3.15Å; K403-Y470 PolarHBondContact N-O 2.94Å; K403-I471 WeakPolarHBondContact CE-O 3.47Å
404	N	81.1	Confident	86.7	Confident	136 Å²	136	53.3 Å²	53.3	73%	0.727	28%	0.283	S	S	*	.	S	Bend	trans	-70	-10.1	-166.3	-101.8	-47	0	0	0	114.7	K409	N404-K409 WeakPolarHBondContact O-CE 3.36Å; N404-K409 PolarHBondContact O-NZ 3.02Å; N404-K409 WeakPolarHBondContact OD1-CE 3.28Å; N404-K409 PolarHBondContact OD1-NZ 3.21Å
405	D	86.1	Confident	86.5	Confident	93 Å²	93	55.2 Å²	55.2	50%	0.497	29%	0.291	S	S	.	.	S	Bend	trans	-65	145.9	-178.4	-39.3	-73.7	0	0	0	113	K403 M407 S408 K409	K403-D405 WeakPolarHBondContact CB-OD2 3.4Å; K403-D405 PolarHBondContact O-N 3.29Å; D405-M407 VanDerWaalsContact C-N 3.26Å; D405-M407 PolarHBondContact O-N 3.22Å; D405-S408 PolarHBondContact O-N 3.01Å; D405-S408 PolarHBondContact OD2-OG 2.94Å; D405-K409 PolarHBondContact O-N 3.36Å; D405-K409 VanDerWaalsContact O-N 3.09Å
406	I	81	Confident	86.5	Confident	156 Å²	156	52.6 Å²	52.6	80%	0.8	28%	0.279	S	S	*	.	H	α-helix	trans	-57.6	-40.5	179.9	-59	169.3	0	0	0	111.1	S410	I406-S410 WeakPolarHBondContact O-CB 3.17Å; I406-S410 PolarHBondContact O-N 3.38Å; I406-S410 VanDerWaalsContact O-N 3.09Å
407	M	81.9	Confident	86.6	Confident	116 Å²	116	53.2 Å²	53.2	57%	0.571	28%	0.283	S	S	*	.	H	α-helix	trans	-66	-45.9	-179.8	-160.5	-131.8	-53.8	0	0	111.8	D405 K409 S410 L411 Y470	D405-M407 VanDerWaalsContact C-N 3.26Å; D405-M407 PolarHBondContact O-N 3.22Å; M407-K409 PolarHBondContact O-N 3.01Å; M407-S410 PolarHBondContact O-N 3.26Å; M407-S410 VanDerWaalsContact O-N 3.16Å; M407-L411 HydrophobicContact CG-CD1 3.92Å; M407-L411 WeakPolarHBondContact O-CG 3.43Å; M407-L411 PolarHBondContact O-N 3.18Å; M407-L411 HydrophobicContact SD-CD1 3.61Å; M407-Y470 HydrophobicContact SD-CD1 4.46Å; M407-Y470 HydrophobicContact SD-CE1 3.66Å
408	S	82.1	Confident	86.7	Confident	5 Å²	5	51.5 Å²	51.5	4%	0.035	27%	0.274	C	S	.	.	H	α-helix	trans	-60.4	-45.6	178.9	-53.7	0	0	0	0	111.6	V402 K403 D405 S410 L411 V412	V402-S408 WeakPolarHBondContact CG1-O 3.22Å; K403-S408 WeakPolarHBondContact O-CB 3.48Å; D405-S408 PolarHBondContact O-N 3.01Å; D405-S408 PolarHBondContact OD2-OG 2.94Å; S408-S410 VanDerWaalsContact C-N 3.29Å; S408-S410 PolarHBondContact O-N 3.47Å; S408-L411 PolarHBondContact O-N 3.02Å; S408-V412 PolarHBondContact O-N 3.45Å
409	K	82.1	Confident	86.8	Confident	115 Å²	115	51.6 Å²	51.6	50%	0.5	28%	0.275	S	S	.	.	H	α-helix	trans	-68.1	-22.8	176.3	-72.9	170.7	175.7	160.7	0	114.3	V402 N404 D405 M407	V402-K409 HydrophobicContact CG1-CG 4.19Å; N404-K409 WeakPolarHBondContact O-CE 3.36Å; N404-K409 PolarHBondContact O-NZ 3.02Å; N404-K409 WeakPolarHBondContact OD1-CE 3.28Å; N404-K409 PolarHBondContact OD1-NZ 3.21Å; D405-K409 PolarHBondContact O-N 3.36Å; D405-K409 VanDerWaalsContact O-N 3.09Å; M407-K409 PolarHBondContact O-N 3.01Å
410	S	81.9	Confident	86.7	Confident	96 Å²	96	55.2 Å²	55.2	67%	0.671	29%	0.294	S	S	*	.	H	α-helix	trans	-87.1	-29.2	175.8	-171.1	0	0	0	0	113.1	I406 M407 S408	I406-S410 WeakPolarHBondContact O-CB 3.17Å; I406-S410 PolarHBondContact O-N 3.38Å; I406-S410 VanDerWaalsContact O-N 3.09Å; M407-S410 PolarHBondContact O-N 3.26Å; M407-S410 VanDerWaalsContact O-N 3.16Å; S408-S410 VanDerWaalsContact C-N 3.29Å; S408-S410 PolarHBondContact O-N 3.47Å
411	L	84.8	Confident	86.6	Confident	44 Å²	44	61.4 Å²	61.4	23%	0.23	33%	0.325	C	S	.	.	H	α-helix	trans	-95	-32.9	-176.6	-69.5	175	0	0	0	113.5	M407 S408 G458 Q459 Y470	M407-L411 HydrophobicContact CG-CD1 3.92Å; M407-L411 WeakPolarHBondContact O-CG 3.43Å; M407-L411 PolarHBondContact O-N 3.18Å; M407-L411 HydrophobicContact SD-CD1 3.61Å; S408-L411 PolarHBondContact O-N 3.02Å; L411-G458 CarbonylContact O-C 3.51Å; L411-G458 WeakPolarHBondContact O-CA 3.33Å; L411-Q459 PolarHBondContact O-N 3.42Å; L411-Y470 HydrophobicContact CD1-CD1 4.4Å; L411-Y470 HydrophobicContact CD1-CE1 3.77Å
412	V	86.9	Confident	86.5	Confident	4 Å²	4	60.7 Å²	60.7	2%	0.024	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	120.1	-174.9	-178.8	0	0	0	0	111.8	V402 S408 A456 Q457 I461 V467 Y470 I471	V402-V412 HydrophobicContact CG2-CG1 4.47Å; S408-V412 PolarHBondContact O-N 3.45Å; V412-A456 HydrophobicContact CG1-CB 4.16Å; V412-Q457 WeakPolarHBondContact CA-O 3.12Å; V412-I461 HydrophobicContact CG2-CD1 4.1Å; V412-V467 HydrophobicContact CG1-CG2 3.83Å; V412-V467 HydrophobicContact CG2-CG2 4.1Å; V412-Y470 HydrophobicContact CG2-CD2 3.84Å; V412-Y470 HydrophobicContact CG2-CG 3.88Å; V412-I471 HydrophobicContact CG1-CG2 3.84Å
413	G	86.4	Confident	86.5	Confident	32 Å²	32	63.9 Å²	63.9	33%	0.33	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	146.7	169.6	0	0	0	0	0	111.4	Q457	G413-Q457 PolarHBondContact N-O 2.94Å; G413-Q457 PolarHBondContact O-N 3.13Å
414	L	89.3	Confident	86.4	Confident	36 Å²	36	61.9 Å²	61.9	19%	0.188	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	139.6	159.8	-51.6	-172.4	0	0	0	108	I375 V398 V402 L431 A456	I375-L414 HydrophobicContact CD1-CD1 4.48Å; I375-L414 HydrophobicContact CD1-CD2 3.83Å; V398-L414 HydrophobicContact CG2-CD1 4.36Å; V402-L414 HydrophobicContact CG2-CD2 3.73Å; V402-L414 HydrophobicContact CG2-CG 3.98Å; L414-L431 WeakPolarHBondContact O-CD1 3.46Å; L414-A456 HydrophobicContact CD2-CB 3.98Å
415	Q	89.6	Confident	86.7	Confident	40 Å²	40	60.4 Å²	60.4	19%	0.187	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	154.5	178.1	-69.1	-179.7	48.5	0	0	110	A454 V455	Q415-A454 WeakPolarHBondContact O-CA 3.4Å; Q415-V455 HydrophobicContact CB-CG2 4.2Å; Q415-V455 PolarHBondContact N-O 3.17Å; Q415-V455 PolarHBondContact O-N 2.94Å
416	C	91.9	Very high	86.9	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	138.5	160.8	-94	0	0	0	0	109.8	M429 I439 V441 A453	C416-M429 HydrophobicContact CB-CB 4.46Å; C416-M429 PolarHBondContact O-N 3.31Å; C416-I439 WeakPolarHBondContact SG-CD1 3.34Å; C416-V441 HydrophobicContact CB-CG2 3.64Å; C416-A453 WeakPolarHBondContact CA-O 3.17Å
417	L	92.3	Very high	87.4	Confident	14 Å²	14	54 Å²	54	7%	0.073	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	147.3	172.5	-50.9	-176.7	0	0	0	109.7	L367 Y426 T427 P428 I452 A453 V455	L367-L417 HydrophobicContact CD2-CD1 3.97Å; L417-Y426 HydrophobicContact CB-CD1 4Å; L417-Y426 HydrophobicContact CB-CG 4.5Å; L417-T427 CarbonylContact C-O 3.53Å; L417-T427 VanDerWaalsContact CA-O 3.23Å; L417-T427 WeakPolarHBondContact CA-O 3.47Å; L417-P428 HydrophobicContact CD2-CB 3.94Å; L417-I452 WeakPolarHBondContact O-CA 3.34Å; L417-A453 PolarHBondContact N-O 3.45Å; L417-A453 PolarHBondContact O-N 2.68Å; L417-V455 HydrophobicContact CD1-CG1 3.89Å; L417-V455 HydrophobicContact CD1-CG2 3.92Å; L417-V455 HydrophobicContact CD2-CG2 4.25Å; L417-V455 HydrophobicContact CG-CG1 4.21Å; L417-V455 HydrophobicContact CG-CG2 3.82Å
418	R	92.4	Very high	87.7	Confident	22 Å²	22	52.9 Å²	52.9	8%	0.083	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	145.8	173	166.5	178.7	164.4	-174.8	-4.8	111	D420 Y426 T427 M429 N445 M450 Y451 I452	R418-D420 IonicContact CZ-OD1 3.55Å; R418-D420 VanDerWaalsContact CZ-OD1 3.25Å; R418-D420 IonicContact NE-OD1 3.67Å; R418-D420 PolarHBondContact NE-OD1 2.78Å; R418-D420 IonicContact NH2-OD1 2.67Å; R418-D420 PolarHBondContact NH2-OD1 3.37Å; R418-D420 IonicContact NH2-OD2 2.86Å; R418-Y426 CarbonylContact O-C 3.54Å; R418-Y426 VanDerWaalsContact O-CA 3.32Å; R418-Y426 WeakPolarHBondContact O-CA 3.3Å; R418-T427 PolarHBondContact N-O 3.35Å; R418-T427 PolarHBondContact O-N 2.88Å; R418-T427 PolarHBondContact O-OG1 3.23Å; R418-M429 HydrophobicContact CB-CG 3.92Å; R418-M429 HydrophobicContact CB-SD 3.63Å; R418-N445 VanDerWaalsContact CZ-O 3.27Å; R418-N445 PolarHBondContact NH1-O 3.34Å; R418-N445 PolarHBondContact NH2-O 2.81Å; R418-M450 VanDerWaalsContact CZ-SD 3.53Å; R418-Y451 CarbonylContact C-O 3.56Å; R418-Y451 VanDerWaalsContact CA-O 3.28Å; R418-Y451 WeakPolarHBondContact CA-O 3.37Å; R418-I452 HydrophobicContact CB-CG1 4.4Å
419	S	92.2	Very high	87.9	Confident	5 Å²	5	54.3 Å²	54.3	4%	0.035	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	156	158	-167.7	0	0	0	0	109.5	M421 P425 Y451	S419-M421 VanDerWaalsContact C-N 3.31Å; S419-M421 VanDerWaalsContact CB-O 3.23Å; S419-M421 WeakPolarHBondContact CB-O 3.1Å; S419-M421 PolarHBondContact OG-N 2.83Å; S419-M421 PolarHBondContact OG-O 2.81Å; S419-M421 VanDerWaalsContact OG-O 3.11Å; S419-P425 WeakPolarHBondContact CB-O 3.48Å; S419-P425 PolarHBondContact OG-O 3.15Å; S419-Y451 PolarHBondContact N-O 3.07Å; S419-Y451 WeakPolarHBondContact O-CA 3.26Å; S419-Y451 PolarHBondContact O-N 3.32Å
420	D	89.1	Confident	87.7	Confident	77 Å²	77	57.1 Å²	57.1	41%	0.412	32%	0.318	S	S	.	.	S	Bend	trans	-90.4	-5.4	171.3	-46.7	-59.3	0	0	0	111.1	R418 Y451	R418-D420 IonicContact CZ-OD1 3.55Å; R418-D420 VanDerWaalsContact CZ-OD1 3.25Å; R418-D420 IonicContact NE-OD1 3.67Å; R418-D420 PolarHBondContact NE-OD1 2.78Å; R418-D420 IonicContact NH2-OD1 2.67Å; R418-D420 PolarHBondContact NH2-OD1 3.37Å; R418-D420 IonicContact NH2-OD2 2.86Å; D420-Y451 WeakPolarHBondContact O-CE2 3.4Å
421	M	87.1	Confident	87.6	Confident	131 Å²	131	54.7 Å²	54.7	65%	0.645	30%	0.297	S	S	*	.	S	Bend	trans	-121.5	147.1	175.9	-73.3	-68.8	-77.5	0	0	110.9	S419 E423 G424	S419-M421 VanDerWaalsContact C-N 3.31Å; S419-M421 VanDerWaalsContact CB-O 3.23Å; S419-M421 WeakPolarHBondContact CB-O 3.1Å; S419-M421 PolarHBondContact OG-N 2.83Å; S419-M421 PolarHBondContact OG-O 2.81Å; S419-M421 VanDerWaalsContact OG-O 3.11Å; M421-E423 PolarHBondContact O-N 2.93Å; M421-G424 WeakPolarHBondContact CB-O 3.44Å
422	K	85.1	Confident	87	Confident	61 Å²	61	55 Å²	55	27%	0.265	30%	0.304	S	S	.	.	S	Bend	trans	-58.5	-48.6	-171.7	178.2	-177	166.8	-70.9	0	113.1	M360 P364 Y426 Y451	M360-K422 HydrophobicContact CE-CD 3.95Å; M360-K422 HydrophobicContact SD-CD 4.18Å; M360-K422 HydrophobicContact SD-CG 4.49Å; P364-K422 WeakPolarHBondContact CG-O 3.48Å; K422-Y426 WeakPolarHBondContact O-CE2 3.33Å; K422-Y426 PolarHBondContact O-OH 2.91Å; K422-Y451 HydrophobicContact CB-CD1 4.18Å; K422-Y451 HydrophobicContact CB-CE1 3.76Å; K422-Y451 HydrophobicContact CB-CE2 4.41Å; K422-Y451 HydrophobicContact CG-CD1 4.41Å; K422-Y451 HydrophobicContact CG-CE1 4.17Å
423	E	86	Confident	86.5	Confident	99 Å²	99	60.3 Å²	60.3	46%	0.463	32%	0.324	S	S	.	.	S	Bend	trans	-85	-26.3	-170.2	-45	-52.5	165.5	0	0	113	M421 Y426	M421-E423 PolarHBondContact O-N 2.93Å; E423-Y426 WeakPolarHBondContact O-CE2 2.84Å
424	G	85	Confident	85.9	Confident	17 Å²	17	62.4 Å²	62.4	18%	0.175	33%	0.333	C	S	.	.			trans	148.8	-179.7	-176.5	0	0	0	0	0	112.1	M421	M421-G424 WeakPolarHBondContact CB-O 3.44Å
425	P	88.5	Confident	84.9	Confident	105 Å²	105	68.9 Å²	68.9	68%	0.682	36%	0.356	S	S	*	.			cis	-77.2	144.8	0.8	31.7	-35.2	0	0	0	112.1	S419	S419-P425 WeakPolarHBondContact CB-O 3.48Å; S419-P425 PolarHBondContact OG-O 3.15Å
426	Y	90.1	Very high	84.2	Confident	34 Å²	34	69.9 Å²	69.9	13%	0.133	38%	0.378	C	S	.	.			trans	-99.2	130.3	178.8	-81.1	-92.2	0	0	0	112	P364 L367 L417 R418 K422 E423	P364-Y426 HydrophobicContact CG-CE2 4.12Å; L367-Y426 HydrophobicContact CD1-CE1 4.42Å; L367-Y426 HydrophobicContact CD1-CE2 4.44Å; L367-Y426 HydrophobicContact CD2-CD1 4.03Å; L367-Y426 HydrophobicContact CD2-CD2 3.71Å; L367-Y426 HydrophobicContact CD2-CE1 4.41Å; L367-Y426 HydrophobicContact CD2-CE2 4.12Å; L367-Y426 HydrophobicContact CD2-CG 3.67Å; L367-Y426 HydrophobicContact CG-CD2 4.4Å; L367-Y426 HydrophobicContact CG-CE2 4.38Å; L417-Y426 HydrophobicContact CB-CD1 4Å; L417-Y426 HydrophobicContact CB-CG 4.5Å; R418-Y426 CarbonylContact O-C 3.54Å; R418-Y426 VanDerWaalsContact O-CA 3.32Å; R418-Y426 WeakPolarHBondContact O-CA 3.3Å; K422-Y426 WeakPolarHBondContact O-CE2 3.33Å; K422-Y426 PolarHBondContact O-OH 2.91Å; E423-Y426 WeakPolarHBondContact O-CE2 2.84Å
427	T	90.4	Very high	83.6	Confident	82 Å²	82	71.1 Å²	71.1	50%	0.503	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	146.7	179.4	57.7	0	0	0	0	111.4	L417 R418	L417-T427 CarbonylContact C-O 3.53Å; L417-T427 VanDerWaalsContact CA-O 3.23Å; L417-T427 WeakPolarHBondContact CA-O 3.47Å; R418-T427 PolarHBondContact N-O 3.35Å; R418-T427 PolarHBondContact O-N 2.88Å; R418-T427 PolarHBondContact O-OG1 3.23Å
428	P	88.9	Confident	83.4	Confident	91 Å²	91	72.3 Å²	72.3	59%	0.591	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	141.9	-179.1	30.7	-34.9	0	0	0	112.5	L417	L417-P428 HydrophobicContact CD2-CB 3.94Å
429	M	86	Confident	83.3	Confident	35 Å²	35	71.4 Å²	71.4	17%	0.172	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	147.4	173.5	-60.6	-164.7	70.9	0	0	110.8	C416 R418 L431 V441 Q442 L443 I452	C416-M429 HydrophobicContact CB-CB 4.46Å; C416-M429 PolarHBondContact O-N 3.31Å; R418-M429 HydrophobicContact CB-CG 3.92Å; R418-M429 HydrophobicContact CB-SD 3.63Å; M429-L431 PolarHBondContact O-N 2.95Å; M429-V441 HydrophobicContact CB-CG1 4.03Å; M429-V441 HydrophobicContact CE-CG1 3.78Å; M429-V441 HydrophobicContact SD-CG1 3.97Å; M429-Q442 WeakPolarHBondContact CE-O 3.45Å; M429-L443 HydrophobicContact CE-CD2 3.67Å; M429-L443 HydrophobicContact SD-CD2 4.07Å; M429-I452 HydrophobicContact SD-CD1 4.49Å
430	Q	77.4	Confident	83.3	Confident	175 Å²	175	73.7 Å²	73.7	82%	0.818	40%	0.399	S	S	*	.			trans	-70	126.9	172.4	-174.3	167.2	-16.5	0	0	110.5
431	L	79.4	Confident	83.4	Confident	44 Å²	44	70 Å²	70	23%	0.23	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	127.6	171.3	-76.6	163.6	0	0	0	109.5	L414 M429 I439 V441	L414-L431 WeakPolarHBondContact O-CD1 3.46Å; M429-L431 PolarHBondContact O-N 2.95Å; L431-I439 HydrophobicContact CD2-CB 3.93Å; L431-I439 HydrophobicContact CD2-CD1 4.12Å; L431-I439 HydrophobicContact CD2-CG1 4.5Å; L431-I439 HydrophobicContact CD2-CG2 4.32Å; L431-V441 HydrophobicContact CD2-CG2 3.8Å
432	S	73.4	Confident	83.6	Confident	52 Å²	52	67.1 Å²	67.1	36%	0.364	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-32.3	177.9	-50.1	0	0	0	0	111.5	Q440 Q442	S432-Q440 PolarHBondContact N-O 3.4Å; S432-Q442 VanDerWaalsContact OG-CD 3.24Å; S432-Q442 VanDerWaalsContact OG-CG 3.26Å; S432-Q442 WeakPolarHBondContact OG-CG 3.27Å; S432-Q442 PolarHBondContact OG-N 2.82Å; S432-Q442 VanDerWaalsContact OG-N 3.12Å; S432-Q442 PolarHBondContact OG-OE1 3.47Å
433	Y	75.6	Confident	83.8	Confident	115 Å²	115	64.3 Å²	64.3	45%	0.451	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	143.7	177	-178.8	-108.9	0	0	0	110.4	Y435 I439 Q440	Y433-Y435 HydrophobicContact CE1-CG 4.46Å; Y433-Y435 VanDerWaalsContact OH-CB 3.29Å; Y433-Y435 WeakPolarHBondContact OH-CB 3.22Å; Y433-I439 WeakPolarHBondContact O-CA 3.23Å; Y433-Q440 PolarHBondContact N-O 3.44Å; Y433-Q440 PolarHBondContact O-N 3.3Å
434	S	73.5	Confident	83.6	Confident	75 Å²	75	65.8 Å²	65.8	52%	0.524	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	124.2	169.8	57.3	0	0	0	0	109.4
435	Y	69.9	Low	83.4	Confident	172 Å²	172	71.1 Å²	71.1	68%	0.675	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.1	125	-176.2	-177.6	-93.5	0	0	0	111	Y433 D437 T438	Y433-Y435 HydrophobicContact CE1-CG 4.46Å; Y433-Y435 VanDerWaalsContact OH-CB 3.29Å; Y433-Y435 WeakPolarHBondContact OH-CB 3.22Å; Y435-D437 PolarHBondContact O-N 3.37Å; Y435-T438 PolarHBondContact N-O 3.07Å; Y435-T438 PolarHBondContact O-N 2.92Å
436	G	73.4	Confident	83.4	Confident	62 Å²	62	66.9 Å²	66.9	64%	0.639	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	-120	-171.1	0	0	0	0	0	110.5
437	D	80.4	Confident	83.2	Confident	26 Å²	26	69.8 Å²	69.8	14%	0.139	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	16.9	175.7	61.9	4.7	0	0	0	113.6	K397 V398 E401 Y435 K474	K397-D437 CarbonylContact C-O 3.38Å; K397-D437 VanDerWaalsContact CA-O 3.29Å; K397-D437 WeakPolarHBondContact CA-O 3.3Å; K397-D437 VanDerWaalsContact CE-OD2 3.28Å; K397-D437 WeakPolarHBondContact CE-OD2 3.39Å; K397-D437 WeakPolarHBondContact CG-O 3.49Å; K397-D437 IonicContact NZ-OD1 2.92Å; K397-D437 PolarHBondContact NZ-OD1 2.96Å; K397-D437 IonicContact NZ-OD2 2.75Å; K397-D437 PolarHBondContact NZ-OD2 3.28Å; V398-D437 HydrophobicContact CG2-CB 4.48Å; V398-D437 WeakPolarHBondContact CG2-O 3.41Å; V398-D437 PolarHBondContact N-O 3.3Å; E401-D437 HydrophobicContact CG-CB 4.37Å; Y435-D437 PolarHBondContact O-N 3.37Å; D437-K474 IonicContact OD2-NZ 3.25Å; D437-K474 PolarHBondContact OD2-NZ 3.49Å
438	T	87.4	Confident	83.1	Confident	38 Å²	38	69 Å²	69	23%	0.233	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	138.1	172.2	-61.2	0	0	0	0	111.4	E395 Y435	E395-T438 HydrophobicContact CG-CG2 3.91Å; Y435-T438 PolarHBondContact N-O 3.07Å; Y435-T438 PolarHBondContact O-N 2.92Å
439	I	90.3	Very high	83.2	Confident	4 Å²	4	66 Å²	66	2%	0.021	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	150.3	173.6	64.9	174	0	0	0	111.3	E395 M396 V398 C416 L431 Y433 A454	E395-I439 WeakPolarHBondContact CA-O 3.34Å; M396-I439 HydrophobicContact CG-CD1 3.89Å; M396-I439 HydrophobicContact CG-CG1 3.6Å; M396-I439 PolarHBondContact N-O 2.79Å; M396-I439 WeakPolarHBondContact O-CG1 3.24Å; M396-I439 PolarHBondContact O-N 3.46Å; M396-I439 HydrophobicContact SD-CD1 4.25Å; V398-I439 HydrophobicContact CG1-CD1 3.62Å; V398-I439 HydrophobicContact CG1-CG1 3.94Å; V398-I439 HydrophobicContact CG1-CG2 4.33Å; V398-I439 HydrophobicContact CG2-CG2 4.5Å; C416-I439 WeakPolarHBondContact SG-CD1 3.34Å; L431-I439 HydrophobicContact CD2-CB 3.93Å; L431-I439 HydrophobicContact CD2-CD1 4.12Å; L431-I439 HydrophobicContact CD2-CG1 4.5Å; L431-I439 HydrophobicContact CD2-CG2 4.32Å; Y433-I439 WeakPolarHBondContact O-CA 3.23Å; I439-A454 HydrophobicContact CD1-CB 3.71Å
440	Q	91.3	Very high	83.5	Confident	52 Å²	52	64.4 Å²	64.4	24%	0.243	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	141.2	169.8	-63.8	175.7	-26	0	0	111	I393 L394 E395 S432 Y433	I393-Q440 HydrophobicContact CG2-CB 4.23Å; L394-Q440 CarbonylContact O-C 3.58Å; L394-Q440 VanDerWaalsContact O-CA 3.28Å; L394-Q440 WeakPolarHBondContact O-CA 3.41Å; E395-Q440 HydrophobicContact CB-CG 3.91Å; E395-Q440 HydrophobicContact CG-CG 3.81Å; E395-Q440 PolarHBondContact OE2-NE2 3.18Å; S432-Q440 PolarHBondContact N-O 3.4Å; Y433-Q440 PolarHBondContact N-O 3.44Å; Y433-Q440 PolarHBondContact O-N 3.3Å
441	V	92.1	Very high	84.3	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	134.5	-179.5	-178.9	0	0	0	0	109.3	L394 C416 M429 L431 L443	L394-V441 PolarHBondContact N-O 3.18Å; L394-V441 PolarHBondContact O-N 3.22Å; C416-V441 HydrophobicContact CB-CG2 3.64Å; M429-V441 HydrophobicContact CB-CG1 4.03Å; M429-V441 HydrophobicContact CE-CG1 3.78Å; M429-V441 HydrophobicContact SD-CG1 3.97Å; L431-V441 HydrophobicContact CD2-CG2 3.8Å; V441-L443 HydrophobicContact CG1-CD2 4Å
442	Q	91.2	Very high	85	Confident	70 Å²	70	55.4 Å²	55.4	33%	0.327	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	128.2	168.7	-75.6	158.1	-44.8	0	0	110.6	F391 I393 M429 S432	F391-Q442 HydrophobicContact CD2-CB 4.2Å; F391-Q442 HydrophobicContact CD2-CG 3.75Å; F391-Q442 HydrophobicContact CE2-CG 3.8Å; F391-Q442 HydrophobicContact CG-CB 4.36Å; F391-Q442 HydrophobicContact CG-CG 4.3Å; F391-Q442 HydrophobicContact CZ-CG 4.36Å; I393-Q442 HydrophobicContact CG1-CG 4.3Å; M429-Q442 WeakPolarHBondContact CE-O 3.45Å; S432-Q442 VanDerWaalsContact OG-CD 3.24Å; S432-Q442 VanDerWaalsContact OG-CG 3.26Å; S432-Q442 WeakPolarHBondContact OG-CG 3.27Å; S432-Q442 PolarHBondContact OG-N 2.82Å; S432-Q442 VanDerWaalsContact OG-N 3.12Å; S432-Q442 PolarHBondContact OG-OE1 3.47Å
443	L	89.4	Confident	85.9	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.01	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	95.3	178	-49.1	-175.2	0	0	0	108	I381 F391 I392 L394 M429 V441 L446 I452	I381-L443 HydrophobicContact CD1-CD1 4.16Å; F391-L443 WeakPolarHBondContact CA-O 3.45Å; F391-L443 WeakPolarHBondContact CB-O 3.16Å; I392-L443 HydrophobicContact CB-CB 4.33Å; I392-L443 HydrophobicContact CG2-CD1 4.38Å; I392-L443 PolarHBondContact N-O 3.17Å; I392-L443 VanDerWaalsContact N-O 3.12Å; I392-L443 WeakPolarHBondContact O-CB 3.44Å; I392-L443 PolarHBondContact O-N 3.02Å; L394-L443 HydrophobicContact CB-CD1 4.17Å; L394-L443 HydrophobicContact CB-CD2 4.41Å; L394-L443 HydrophobicContact CB-CG 4.32Å; M429-L443 HydrophobicContact CE-CD2 3.67Å; M429-L443 HydrophobicContact SD-CD2 4.07Å; V441-L443 HydrophobicContact CG1-CD2 4Å; L443-L446 HydrophobicContact CB-CD2 3.61Å; L443-L446 WeakPolarHBondContact O-CD2 3.41Å; L443-I452 HydrophobicContact CD1-CD1 3.98Å; L443-I452 HydrophobicContact CD2-CD1 3.52Å; L443-I452 HydrophobicContact CG-CD1 4.43Å
444	E	81.9	Confident	86.7	Confident	130 Å²	130	47.4 Å²	47.4	61%	0.607	26%	0.256	S	S	*	.			trans	-88.9	-57.8	-176.4	-59	-176.3	148.5	0	0	111.8	F391 L446	F391-E444 HydrophobicContact CB-CG 4.08Å; E444-L446 VanDerWaalsContact C-N 3.26Å; E444-L446 PolarHBondContact O-N 2.63Å
445	N	81.6	Confident	87.6	Confident	128 Å²	128	43.9 Å²	43.9	68%	0.684	23%	0.231	S	C	*	.	S	Bend	trans	-79.9	60.5	-176.2	-62.6	-26.1	0	0	0	112.5	R418 E447	R418-N445 VanDerWaalsContact CZ-O 3.27Å; R418-N445 PolarHBondContact NH1-O 3.34Å; R418-N445 PolarHBondContact NH2-O 2.81Å; N445-E447 PolarHBondContact O-N 3.02Å
446	L	86.8	Confident	88.6	Confident	17 Å²	17	35.7 Å²	35.7	9%	0.089	20%	0.199	C	C	.	.			trans	-57.6	134.5	-172	-58.8	-174.2	0	0	0	113.1	L383 M386 V388 I392 L443 E444 M450	L383-L446 HydrophobicContact CD1-CB 3.82Å; L383-L446 HydrophobicContact CD1-CD1 3.86Å; L383-L446 HydrophobicContact CD1-CD2 4Å; L383-L446 HydrophobicContact CD1-CG 4.12Å; M386-L446 VanDerWaalsContact CE-C 3.46Å; M386-L446 HydrophobicContact CE-CB 4.1Å; M386-L446 WeakPolarHBondContact CE-O 3.24Å; V388-L446 HydrophobicContact CG1-CD1 4.31Å; V388-L446 HydrophobicContact CG2-CD1 3.84Å; I392-L446 HydrophobicContact CB-CD2 4.42Å; I392-L446 HydrophobicContact CD1-CD1 3.69Å; I392-L446 HydrophobicContact CD1-CD2 4.26Å; I392-L446 HydrophobicContact CG1-CD1 3.95Å; I392-L446 HydrophobicContact CG1-CD2 4.39Å; L443-L446 HydrophobicContact CB-CD2 3.61Å; L443-L446 WeakPolarHBondContact O-CD2 3.41Å; E444-L446 VanDerWaalsContact C-N 3.26Å; E444-L446 PolarHBondContact O-N 2.63Å; L446-M450 HydrophobicContact CD2-CE 4.06Å
447	E	86.7	Confident	89.5	Confident	95 Å²	95	36 Å²	36	44%	0.444	18%	0.184	S	C	.	.			trans	-121.4	155.7	173.2	-78.4	-68.9	163.4	0	0	111	M386 N445 C449 M450	M386-E447 VanDerWaalsContact CE-C 3.49Å; N445-E447 PolarHBondContact O-N 3.02Å; E447-C449 PolarHBondContact O-N 3.39Å; E447-C449 VanDerWaalsContact O-N 3.1Å; E447-M450 HydrophobicContact CB-CG 3.88Å; E447-M450 HydrophobicContact CB-SD 4.48Å
448	P	87.6	Confident	89.8	Confident	64 Å²	64	35 Å²	35	42%	0.416	18%	0.18	S	C	.	.	S	Bend	trans	-61.6	-21.3	-176.7	-23.5	33.5	0	0	0	114.5	K382 L383 M386	K382-P448 WeakPolarHBondContact CA-O 3.22Å; K382-P448 VanDerWaalsContact CB-O 3.32Å; K382-P448 WeakPolarHBondContact CB-O 3Å; L383-P448 PolarHBondContact N-O 3.19Å; L383-P448 VanDerWaalsContact N-O 3.17Å; M386-P448 HydrophobicContact CE-CG 4.25Å; M386-P448 HydrophobicContact CG-CG 4.37Å; M386-P448 HydrophobicContact SD-CB 4.37Å; M386-P448 HydrophobicContact SD-CG 3.88Å
449	C	91.6	Very high	89.4	Confident	30 Å²	30	39.2 Å²	39.2	20%	0.203	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	121.1	171.4	-175.9	0	0	0	0	109.6	I381 K382 E447	I381-C449 CarbonylContact O-C 3.58Å; I381-C449 WeakPolarHBondContact O-CA 3.31Å; K382-C449 HydrophobicContact CD-CB 4.48Å; K382-C449 VanDerWaalsContact CE-SG 3.6Å; K382-C449 HydrophobicContact CG-CB 4.14Å; E447-C449 PolarHBondContact O-N 3.39Å; E447-C449 VanDerWaalsContact O-N 3.1Å
450	M	93.4	Very high	88.9	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	148.7	177.2	-63	173.6	-74	0	0	109.9	Q380 I381 L383 R418 L446 E447	Q380-M450 WeakPolarHBondContact CA-O 3.3Å; I381-M450 HydrophobicContact CG2-CE 4.41Å; I381-M450 PolarHBondContact N-O 3.31Å; I381-M450 PolarHBondContact O-N 2.89Å; L383-M450 HydrophobicContact CD1-CE 3.65Å; L383-M450 HydrophobicContact CG-CE 4.35Å; R418-M450 VanDerWaalsContact CZ-SD 3.53Å; L446-M450 HydrophobicContact CD2-CE 4.06Å; E447-M450 HydrophobicContact CB-CG 3.88Å; E447-M450 HydrophobicContact CB-SD 4.48Å
451	Y	93.5	Very high	88.6	Confident	30 Å²	30	43.3 Å²	43.3	12%	0.118	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	121.6	173.3	-60	-92.8	0	0	0	108.3	M360 L379 Q380 R418 S419 D420 K422	M360-Y451 HydrophobicContact SD-CE1 4.47Å; L379-Y451 CarbonylContact O-C 3.54Å; L379-Y451 VanDerWaalsContact O-CA 3.31Å; L379-Y451 WeakPolarHBondContact O-CA 3.02Å; Q380-Y451 HydrophobicContact CB-CD1 4.1Å; Q380-Y451 HydrophobicContact CB-CE1 3.97Å; Q380-Y451 HydrophobicContact CG-CD1 4.45Å; Q380-Y451 HydrophobicContact CG-CE1 3.96Å; Q380-Y451 PolarHBondContact NE2-OH 3.42Å; R418-Y451 CarbonylContact C-O 3.56Å; R418-Y451 VanDerWaalsContact CA-O 3.28Å; R418-Y451 WeakPolarHBondContact CA-O 3.37Å; S419-Y451 PolarHBondContact N-O 3.07Å; S419-Y451 WeakPolarHBondContact O-CA 3.26Å; S419-Y451 PolarHBondContact O-N 3.32Å; D420-Y451 WeakPolarHBondContact O-CE2 3.4Å; K422-Y451 HydrophobicContact CB-CD1 4.18Å; K422-Y451 HydrophobicContact CB-CE1 3.76Å; K422-Y451 HydrophobicContact CB-CE2 4.41Å; K422-Y451 HydrophobicContact CG-CD1 4.41Å; K422-Y451 HydrophobicContact CG-CE1 4.17Å
452	I	93.9	Very high	88.1	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	135.1	-174.9	-54.6	-176.6	0	0	0	110	L379 I381 L394 M396 L417 R418 M429 L443	L379-I452 PolarHBondContact N-O 2.96Å; L379-I452 PolarHBondContact O-N 3.33Å; I381-I452 HydrophobicContact CD1-CD1 4.03Å; L394-I452 HydrophobicContact CD2-CB 4.23Å; L394-I452 HydrophobicContact CD2-CD1 3.92Å; L394-I452 HydrophobicContact CD2-CG2 3.83Å; M396-I452 HydrophobicContact CE-CG2 4.43Å; L417-I452 WeakPolarHBondContact O-CA 3.34Å; R418-I452 HydrophobicContact CB-CG1 4.4Å; M429-I452 HydrophobicContact SD-CD1 4.49Å; L443-I452 HydrophobicContact CD1-CD1 3.98Å; L443-I452 HydrophobicContact CD2-CD1 3.52Å; L443-I452 HydrophobicContact CG-CD1 4.43Å
453	A	93.1	Very high	87.2	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	137.8	178.3	0	0	0	0	0	111	L367 T374 V378 C416 L417	L367-A453 HydrophobicContact CD1-CB 3.72Å; T374-A453 HydrophobicContact CG2-CB 4.18Å; V378-A453 HydrophobicContact CG2-CB 4.07Å; C416-A453 WeakPolarHBondContact CA-O 3.17Å; L417-A453 PolarHBondContact N-O 3.45Å; L417-A453 PolarHBondContact O-N 2.68Å
454	A	92.2	Very high	86.8	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	138.9	167.2	0	0	0	0	0	110.2	T374 I375 S376 M396 V398 Q415 I439	T374-A454 WeakPolarHBondContact CG2-O 3.45Å; I375-A454 HydrophobicContact CD1-CB 4.32Å; I375-A454 HydrophobicContact CG1-CB 3.72Å; I375-A454 WeakPolarHBondContact CG1-O 3.23Å; I375-A454 PolarHBondContact N-O 3.01Å; S376-A454 PolarHBondContact OG-N 3.25Å; M396-A454 HydrophobicContact SD-CB 3.96Å; V398-A454 HydrophobicContact CG1-CB 3.65Å; Q415-A454 WeakPolarHBondContact O-CA 3.4Å; I439-A454 HydrophobicContact CD1-CB 3.71Å
455	V	92.7	Very high	86.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	151.6	175.8	-57.6	0	0	0	0	110.6	S373 Q415 L417 Q457	S373-V455 CarbonylContact O-C 3.57Å; S373-V455 VanDerWaalsContact O-CA 3.3Å; S373-V455 WeakPolarHBondContact O-CA 3.38Å; Q415-V455 HydrophobicContact CB-CG2 4.2Å; Q415-V455 PolarHBondContact N-O 3.17Å; Q415-V455 PolarHBondContact O-N 2.94Å; L417-V455 HydrophobicContact CD1-CG1 3.89Å; L417-V455 HydrophobicContact CD1-CG2 3.92Å; L417-V455 HydrophobicContact CD2-CG2 4.25Å; L417-V455 HydrophobicContact CG-CG1 4.21Å; L417-V455 HydrophobicContact CG-CG2 3.82Å; V455-Q457 HydrophobicContact CG2-CB 4.32Å
456	A	91.1	Very high	87.3	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	125.1	154.6	0	0	0	0	0	107.4	C372 S373 I375 V412 L414 V467 I471	C372-A456 CarbonylContact C-O 3.55Å; C372-A456 WeakPolarHBondContact CA-O 3.38Å; S373-A456 PolarHBondContact N-O 3.19Å; S373-A456 PolarHBondContact O-N 3.01Å; I375-A456 HydrophobicContact CG2-CB 4.21Å; V412-A456 HydrophobicContact CG1-CB 4.16Å; L414-A456 HydrophobicContact CD2-CB 3.98Å; A456-V467 HydrophobicContact CB-CG2 4.11Å; A456-I471 HydrophobicContact CB-CD1 3.92Å; A456-I471 HydrophobicContact CB-CG2 4.06Å
457	Q	90.8	Very high	87.4	Confident	69 Å²	69	55.4 Å²	55.4	32%	0.322	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127.3	-180	-165.9	-173.4	44	0	0	110.8	K371 V412 G413 V455	K371-Q457 CarbonylContact O-C 3.55Å; K371-Q457 WeakPolarHBondContact O-CA 3.33Å; V412-Q457 WeakPolarHBondContact CA-O 3.12Å; G413-Q457 PolarHBondContact N-O 2.94Å; G413-Q457 PolarHBondContact O-N 3.13Å; V455-Q457 HydrophobicContact CG2-CB 4.32Å
458	G	86.6	Confident	87.5	Confident	6 Å²	6	51.1 Å²	51.1	6%	0.062	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	123.7	178.7	0	0	0	0	0	113.3	K371 L411	K371-G458 PolarHBondContact O-N 2.84Å; L411-G458 CarbonylContact O-C 3.51Å; L411-G458 WeakPolarHBondContact O-CA 3.33Å
459	Q	80.6	Confident	87.5	Confident	126 Å²	126	50.9 Å²	50.9	59%	0.589	25%	0.247	S	C	*	.	S	Bend	trans	-83.5	136.6	169.6	-59.5	-173.5	6.9	0	0	109.2	L411 I461	L411-Q459 PolarHBondContact O-N 3.42Å; Q459-I461 PolarHBondContact O-N 3.44Å
460	N	79.6	Confident	87.4	Confident	134 Å²	134	50.4 Å²	50.4	72%	0.717	24%	0.241	S	C	*	.	S	Bend	trans	52.4	23.4	172.8	-60.4	-20.6	0	0	0	117.2	L462	N460-L462 PolarHBondContact O-N 2.97Å
461	I	83.6	Confident	87.2	Confident	8 Å²	8	50.5 Å²	50.5	4%	0.041	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-59	128.8	169.7	-60.1	-178.2	0	0	0	109.5	K371 V412 Q459 Y465 V467 Y470	K371-I461 VanDerWaalsContact CE-O 3.23Å; K371-I461 WeakPolarHBondContact CE-O 3.5Å; K371-I461 HydrophobicContact CG-CB 4.46Å; V412-I461 HydrophobicContact CG2-CD1 4.1Å; Q459-I461 PolarHBondContact O-N 3.44Å; I461-Y465 WeakPolarHBondContact CG2-O 3.4Å; I461-V467 HydrophobicContact CD1-CB 4.04Å; I461-Y470 HydrophobicContact CD1-CD2 3.76Å; I461-Y470 HydrophobicContact CD1-CE2 3.74Å; I461-Y470 HydrophobicContact CG1-CD2 4.34Å; I461-Y470 HydrophobicContact CG1-CE2 3.91Å; I461-Y470 HydrophobicContact CG2-CE2 4.15Å
462	L	81.8	Confident	86.9	Confident	134 Å²	134	51 Å²	51	70%	0.702	25%	0.25	S	C	*	.	P	Polyproline II helix	trans	-103.4	141	178.4	-64.5	174.7	0	0	0	110.5	N460 Y465	N460-L462 PolarHBondContact O-N 2.97Å; L462-Y465 WeakPolarHBondContact O-CB 3.27Å; L462-Y465 PolarHBondContact O-N 2.99Å
463	Y	73.7	Confident	86.7	Confident	225 Å²	225	51 Å²	51	88%	0.882	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	139	171.6	-177.7	-89.4	0	0	0	110.5
464	P	79.8	Confident	86.6	Confident	87 Å²	87	52.5 Å²	52.5	57%	0.565	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	cis	-89.1	4.7	9.9	36.7	-37.6	0	0	0	115.7
465	Y	85.1	Confident	86.6	Confident	136 Å²	136	52.7 Å²	52.7	53%	0.533	26%	0.257	S	S	.	.			trans	-74.3	157.3	-177	-58.5	-78.1	0	0	0	112.7	I461 L462 D469	I461-Y465 WeakPolarHBondContact CG2-O 3.4Å; L462-Y465 WeakPolarHBondContact O-CB 3.27Å; L462-Y465 PolarHBondContact O-N 2.99Å; Y465-D469 HydrophobicContact CD1-CB 4.41Å
466	T	88.5	Confident	86.6	Confident	20 Å²	20	52.7 Å²	52.7	12%	0.123	26%	0.257	C	S	.	.			trans	-133.3	166.9	-179.1	72.2	0	0	0	0	110.8	D370 W468 D469 Y470	D370-T466 HydrophobicContact CB-CG2 4.36Å; D370-T466 CarbonylContact O-C 3.56Å; D370-T466 WeakPolarHBondContact O-CA 3.36Å; D370-T466 VanDerWaalsContact OD1-CG2 3.31Å; D370-T466 WeakPolarHBondContact OD1-CG2 3.26Å; T466-W468 PolarHBondContact O-N 3.27Å; T466-W468 VanDerWaalsContact O-N 3.12Å; T466-W468 PolarHBondContact OG1-N 2.91Å; T466-D469 WeakPolarHBondContact CA-OD2 3.13Å; T466-D469 PolarHBondContact N-OD2 3.38Å; T466-D469 WeakPolarHBondContact O-CB 3.05Å; T466-D469 PolarHBondContact O-N 2.89Å; T466-D469 PolarHBondContact OG1-OD2 3.28Å; T466-Y470 VanDerWaalsContact O-CD2 3.28Å; T466-Y470 WeakPolarHBondContact O-CD2 3.31Å; T466-Y470 WeakPolarHBondContact O-CE2 3.18Å
467	V	89.4	Confident	86.7	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-58	-25.7	175.4	69.7	0	0	0	0	113.1	D370 V412 A456 I461 D469 Y470 I471	D370-V467 PolarHBondContact O-N 2.96Å; V412-V467 HydrophobicContact CG1-CG2 3.83Å; V412-V467 HydrophobicContact CG2-CG2 4.1Å; A456-V467 HydrophobicContact CB-CG2 4.11Å; I461-V467 HydrophobicContact CD1-CB 4.04Å; V467-D469 VanDerWaalsContact C-N 3.31Å; V467-D469 PolarHBondContact O-N 3.4Å; V467-Y470 PolarHBondContact O-N 2.98Å; V467-I471 WeakPolarHBondContact O-CG1 3.47Å
468	W	88.9	Confident	86.8	Confident	4 Å²	4	49.4 Å²	49.4	2%	0.015	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-66.9	-31.1	176.6	-72.7	72.7	0	0	0	112.6	T466 Y470 I471 K473 I475 L532 P535	T466-W468 PolarHBondContact O-N 3.27Å; T466-W468 VanDerWaalsContact O-N 3.12Å; T466-W468 PolarHBondContact OG1-N 2.91Å; W468-Y470 PolarHBondContact O-N 3.05Å; W468-Y470 VanDerWaalsContact O-N 3.11Å; W468-I471 PolarHBondContact O-N 3.49Å; W468-I471 VanDerWaalsContact O-O 3.05Å; W468-K473 HydrophobicContact CD2-CD 4.47Å; W468-K473 HydrophobicContact CE3-CB 4.12Å; W468-K473 HydrophobicContact CE3-CD 4.3Å; W468-K473 HydrophobicContact CH2-CD 3.67Å; W468-K473 HydrophobicContact CH2-CG 4.23Å; W468-K473 HydrophobicContact CZ2-CD 3.81Å; W468-K473 HydrophobicContact CZ3-CB 3.95Å; W468-K473 HydrophobicContact CZ3-CD 3.91Å; W468-K473 HydrophobicContact CZ3-CG 4.12Å; W468-I475 HydrophobicContact CH2-CD1 4.24Å; W468-L532 HydrophobicContact CZ3-CB 4.36Å; W468-P535 HydrophobicContact CD2-CB 4.36Å; W468-P535 HydrophobicContact CD2-CG 4.25Å; W468-P535 HydrophobicContact CG-CG 4.21Å; W468-P535 HydrophobicContact CZ2-CB 4.31Å
469	D	88.6	Confident	87.1	Confident	59 Å²	59	49.1 Å²	49.1	32%	0.316	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-67	-14.9	-179.1	-60.5	-72.9	0	0	0	113	K403 Y465 T466 V467	K403-D469 WeakPolarHBondContact CE-O 3.27Å; K403-D469 PolarHBondContact NZ-O 2.8Å; Y465-D469 HydrophobicContact CD1-CB 4.41Å; T466-D469 WeakPolarHBondContact CA-OD2 3.13Å; T466-D469 PolarHBondContact N-OD2 3.38Å; T466-D469 WeakPolarHBondContact O-CB 3.05Å; T466-D469 PolarHBondContact O-N 2.89Å; T466-D469 PolarHBondContact OG1-OD2 3.28Å; V467-D469 VanDerWaalsContact C-N 3.31Å; V467-D469 PolarHBondContact O-N 3.4Å
470	Y	88.7	Confident	87.6	Confident	21 Å²	21	43.1 Å²	43.1	8%	0.082	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-111.7	-3.8	-179	-53.8	-74.2	0	0	0	114.2	K403 M407 L411 V412 I461 T466 V467 W468	K403-Y470 WeakPolarHBondContact CB-O 3.43Å; K403-Y470 WeakPolarHBondContact CG-O 3.15Å; K403-Y470 PolarHBondContact N-O 2.94Å; M407-Y470 HydrophobicContact SD-CD1 4.46Å; M407-Y470 HydrophobicContact SD-CE1 3.66Å; L411-Y470 HydrophobicContact CD1-CD1 4.4Å; L411-Y470 HydrophobicContact CD1-CE1 3.77Å; V412-Y470 HydrophobicContact CG2-CD2 3.84Å; V412-Y470 HydrophobicContact CG2-CG 3.88Å; I461-Y470 HydrophobicContact CD1-CD2 3.76Å; I461-Y470 HydrophobicContact CD1-CE2 3.74Å; I461-Y470 HydrophobicContact CG1-CD2 4.34Å; I461-Y470 HydrophobicContact CG1-CE2 3.91Å; I461-Y470 HydrophobicContact CG2-CE2 4.15Å; T466-Y470 VanDerWaalsContact O-CD2 3.28Å; T466-Y470 WeakPolarHBondContact O-CD2 3.31Å; T466-Y470 WeakPolarHBondContact O-CE2 3.18Å; V467-Y470 PolarHBondContact O-N 2.98Å; W468-Y470 PolarHBondContact O-N 3.05Å; W468-Y470 VanDerWaalsContact O-N 3.11Å
471	I	89.4	Confident	87.9	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	155.8	179.8	69	-176.7	0	0	0	112	A400 E401 V402 K403 V412 A456 V467 W468 K473	A400-I471 HydrophobicContact CB-CB 4.47Å; A400-I471 HydrophobicContact CB-CD1 4.06Å; E401-I471 CarbonylContact O-C 3.59Å; E401-I471 WeakPolarHBondContact O-CA 3.4Å; V402-I471 HydrophobicContact CG2-CG2 4.44Å; K403-I471 WeakPolarHBondContact CE-O 3.47Å; V412-I471 HydrophobicContact CG1-CG2 3.84Å; A456-I471 HydrophobicContact CB-CD1 3.92Å; A456-I471 HydrophobicContact CB-CG2 4.06Å; V467-I471 WeakPolarHBondContact O-CG1 3.47Å; W468-I471 PolarHBondContact O-N 3.49Å; W468-I471 VanDerWaalsContact O-O 3.05Å; I471-K473 HydrophobicContact CD1-CB 4.32Å; I471-K473 HydrophobicContact CD1-CD 4.44Å; I471-K473 HydrophobicContact CG1-CB 4.43Å
472	S	87.6	Confident	87.9	Confident	41 Å²	41	36.6 Å²	36.6	29%	0.287	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	103.1	165.2	-172.2	0	0	0	0	107.8	A400 E401 T531	A400-S472 VanDerWaalsContact CA-O 3.29Å; A400-S472 WeakPolarHBondContact CA-O 3.44Å; E401-S472 PolarHBondContact N-O 3.13Å; E401-S472 PolarHBondContact O-N 3.42Å; S472-T531 WeakPolarHBondContact OG-CG2 3.35Å
473	K	89.9	Confident	87.5	Confident	1 Å²	1	36.9 Å²	36.9	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	120.2	-175.5	-175.7	156.1	167.9	170	0	110.7	S373 T374 S399 A400 W468 I471 I475 T531 L532	S373-K473 PolarHBondContact OG-NZ 3.33Å; T374-K473 PolarHBondContact O-NZ 2.95Å; S399-K473 CarbonylContact O-C 3.59Å; A400-K473 HydrophobicContact CB-CB 4.14Å; A400-K473 HydrophobicContact CB-CG 4.27Å; W468-K473 HydrophobicContact CD2-CD 4.47Å; W468-K473 HydrophobicContact CE3-CB 4.12Å; W468-K473 HydrophobicContact CE3-CD 4.3Å; W468-K473 HydrophobicContact CH2-CD 3.67Å; W468-K473 HydrophobicContact CH2-CG 4.23Å; W468-K473 HydrophobicContact CZ2-CD 3.81Å; W468-K473 HydrophobicContact CZ3-CB 3.95Å; W468-K473 HydrophobicContact CZ3-CD 3.91Å; W468-K473 HydrophobicContact CZ3-CG 4.12Å; I471-K473 HydrophobicContact CD1-CB 4.32Å; I471-K473 HydrophobicContact CD1-CD 4.44Å; I471-K473 HydrophobicContact CG1-CB 4.43Å; K473-I475 HydrophobicContact CG-CD1 4.12Å; K473-T531 WeakPolarHBondContact O-CA 3.36Å; K473-L532 PolarHBondContact N-O 2.99Å; K473-L532 PolarHBondContact O-N 2.94Å
474	K	91.2	Very high	87.6	Confident	31 Å²	31	29.9 Å²	29.9	14%	0.135	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	118.7	176.9	-61.5	173.5	-173	170.2	0	109.1	S399 E401 D437 Q529 F530 T531	S399-K474 PolarHBondContact O-N 2.65Å; E401-K474 WeakPolarHBondContact OE1-CE 3.27Å; E401-K474 IonicContact OE1-NZ 3.72Å; E401-K474 PolarHBondContact OE1-NZ 3.06Å; D437-K474 IonicContact OD2-NZ 3.25Å; D437-K474 PolarHBondContact OD2-NZ 3.49Å; K474-Q529 HydrophobicContact CB-CG 3.94Å; K474-F530 CarbonylContact C-O 3.6Å; K474-F530 WeakPolarHBondContact CA-O 3.32Å; K474-T531 HydrophobicContact CG-CG2 3.93Å
475	I	91.9	Very high	87.5	Confident	3 Å²	3	25.8 Å²	25.8	2%	0.015	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	134.8	176.4	-61.3	-58.7	0	0	0	109.1	W468 K473 V495 Q529 F530 L532 M565	W468-I475 HydrophobicContact CH2-CD1 4.24Å; K473-I475 HydrophobicContact CG-CD1 4.12Å; I475-V495 HydrophobicContact CG2-CG1 3.53Å; I475-Q529 WeakPolarHBondContact O-CA 3.37Å; I475-F530 HydrophobicContact CB-CE1 4.06Å; I475-F530 HydrophobicContact CB-CZ 4.35Å; I475-F530 HydrophobicContact CG2-CE1 3.99Å; I475-F530 HydrophobicContact CG2-CZ 4.35Å; I475-F530 PolarHBondContact N-O 2.9Å; I475-F530 PolarHBondContact O-N 3.24Å; I475-L532 HydrophobicContact CB-CD1 4.33Å; I475-L532 HydrophobicContact CG1-CB 4.3Å; I475-L532 HydrophobicContact CG1-CD1 3.83Å; I475-M565 HydrophobicContact CB-CE 4.42Å; I475-M565 HydrophobicContact CD1-CE 3.93Å; I475-M565 HydrophobicContact CG1-CE 3.79Å; I475-M565 HydrophobicContact CG2-CE 3.85Å
476	T	92.1	Very high	86.7	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	129	-178.7	-45.1	0	0	0	0	109.8	F496 H498 E499 A501 K527 H528	T476-F496 PolarHBondContact N-O 3.45Å; T476-F496 PolarHBondContact O-N 2.85Å; T476-H498 WeakPolarHBondContact CB-O 3.37Å; T476-H498 PolarHBondContact OG1-O 3.19Å; T476-E499 WeakPolarHBondContact OG1-CA 3.49Å; T476-A501 HydrophobicContact CG2-CB 4.37Å; T476-K527 HydrophobicContact CG2-CB 4.26Å; T476-K527 HydrophobicContact CG2-CD 4.27Å; T476-H528 CarbonylContact C-O 3.59Å; T476-H528 WeakPolarHBondContact CA-O 3.31Å
477	V	93.9	Very high	86	Confident	1 Å²	1	20.4 Å²	20.4	1%	0.006	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	113.6	173.8	-174.3	0	0	0	0	108.1	V493 K527 H528 F530 V594 F605	V477-V493 HydrophobicContact CG1-CG1 3.34Å; V477-K527 CarbonylContact O-C 3.55Å; V477-K527 WeakPolarHBondContact O-CA 3.3Å; V477-H528 PolarHBondContact N-O 3.45Å; V477-H528 PolarHBondContact O-N 2.95Å; V477-F530 HydrophobicContact CG2-CD1 4.39Å; V477-F530 HydrophobicContact CG2-CE1 3.8Å; V477-V594 HydrophobicContact CG2-CG2 4.42Å; V477-F605 HydrophobicContact CB-CE1 4.27Å; V477-F605 HydrophobicContact CB-CZ 4.04Å; V477-F605 HydrophobicContact CG1-CE1 4.3Å; V477-F605 HydrophobicContact CG1-CZ 3.83Å
478	G	92.6	Very high	85.5	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	130.4	173.2	0	0	0	0	0	110.8	Y480 V493 A494	G478-Y480 WeakPolarHBondContact O-CD2 3.48Å; G478-Y480 WeakPolarHBondContact O-CE2 3.14Å; G478-V493 WeakPolarHBondContact O-CA 3.14Å; G478-A494 PolarHBondContact N-O 2.9Å; G478-A494 PolarHBondContact O-N 3.04Å
479	V	93.2	Very high	85.2	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	119.9	174.8	-176.5	0	0	0	0	108	T491 V493 W525 G526 I592 F605 V607	V479-T491 HydrophobicContact CG1-CG2 3.94Å; V479-V493 HydrophobicContact CG2-CG2 4.46Å; V479-W525 HydrophobicContact CG1-CE3 4.36Å; V479-W525 PolarHBondContact O-N 2.77Å; V479-G526 PolarHBondContact N-O 3.47Å; V479-G526 PolarHBondContact O-N 3.08Å; V479-I592 HydrophobicContact CG2-CD1 3.83Å; V479-I592 HydrophobicContact CG2-CG1 3.88Å; V479-F605 HydrophobicContact CG2-CE2 3.85Å; V479-F605 HydrophobicContact CG2-CZ 4.11Å; V479-V607 HydrophobicContact CB-CG2 4.2Å; V479-V607 HydrophobicContact CG2-CG2 3.96Å
480	Y	89.9	Confident	84.9	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	141.1	-175.8	-61.5	-100.1	0	0	0	110.3	G478 T491 V492 A494 F496 P502 L505 Q523 L524	G478-Y480 WeakPolarHBondContact O-CD2 3.48Å; G478-Y480 WeakPolarHBondContact O-CE2 3.14Å; Y480-T491 CarbonylContact O-C 3.59Å; Y480-T491 WeakPolarHBondContact O-CG2 3.45Å; Y480-V492 PolarHBondContact N-O 3.42Å; Y480-V492 PolarHBondContact O-N 3.14Å; Y480-A494 HydrophobicContact CD2-CB 4.19Å; Y480-A494 HydrophobicContact CE2-CB 3.86Å; Y480-F496 AromaticContact CE2-CE2 3.95Å; Y480-F496 HydrophobicContact CE2-CE2 3.95Å; Y480-F496 AromaticContact CE2-CZ 3.99Å; Y480-F496 HydrophobicContact CE2-CZ 3.99Å; Y480-F496 AromaticContact CZ-CZ 3.98Å; Y480-F496 VanDerWaalsContact OH-CZ 3.25Å; Y480-F496 WeakPolarHBondContact OH-CZ 3.3Å; Y480-P502 VanDerWaalsContact CE1-O 3.27Å; Y480-P502 WeakPolarHBondContact CE1-O 3.45Å; Y480-P502 WeakPolarHBondContact OH-CD 3.42Å; Y480-P502 PolarHBondContact OH-O 2.8Å; Y480-L505 HydrophobicContact CD1-CB 3.44Å; Y480-L505 VanDerWaalsContact CD1-CB 3.44Å; Y480-L505 HydrophobicContact CD1-CD2 4.39Å; Y480-L505 HydrophobicContact CD2-CB 4.41Å; Y480-L505 HydrophobicContact CD2-CD2 3.87Å; Y480-L505 HydrophobicContact CE1-CB 3.51Å; Y480-L505 HydrophobicContact CE2-CB 4.49Å; Y480-L505 HydrophobicContact CE2-CD2 4.07Å; Y480-L505 HydrophobicContact CG-CB 3.92Å; Y480-L505 HydrophobicContact CG-CD2 4.05Å; Y480-Q523 CarbonylContact C-O 3.51Å; Y480-Q523 VanDerWaalsContact CA-O 3.28Å; Y480-Q523 WeakPolarHBondContact CA-O 3.33Å; Y480-L524 HydrophobicContact CD1-CB 3.96Å; Y480-L524 HydrophobicContact CD1-CD1 4.25Å; Y480-L524 HydrophobicContact CD2-CD1 4.33Å; Y480-L524 HydrophobicContact CE1-CB 3.73Å; Y480-L524 HydrophobicContact CE1-CD1 3.81Å; Y480-L524 HydrophobicContact CE1-CG 4.34Å; Y480-L524 HydrophobicContact CE2-CD1 3.88Å; Y480-L524 HydrophobicContact CG-CD1 4.49Å
481	G	87.2	Confident	84.8	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	-173	175.6	0	0	0	0	0	112.6	Q523 W525	G481-Q523 PolarHBondContact N-O 3.47Å; G481-Q523 PolarHBondContact O-N 3.04Å; G481-W525 VanDerWaalsContact CA-CE2 3.47Å
482	P	82.6	Confident	84.8	Confident	5 Å²	5	22.4 Å²	22.4	3%	0.032	11%	0.114	C	C	.	.			trans	-62.7	159.7	176.1	28.7	-37.4	0	0	0	111.9	S297 H484 F489 W525	S297-P482 VanDerWaalsContact OG-CB 3.23Å; S297-P482 WeakPolarHBondContact OG-CB 3.42Å; P482-H484 WeakPolarHBondContact CG-O 3.29Å; P482-H484 PolarHBondContact O-N 2.73Å; P482-F489 HydrophobicContact CG-CB 4.13Å; P482-F489 HydrophobicContact CG-CD2 3.86Å; P482-F489 HydrophobicContact CG-CG 4.04Å; P482-W525 VanDerWaalsContact CD-CZ2 3.49Å; P482-W525 HydrophobicContact CG-CH2 4.43Å; P482-W525 HydrophobicContact CG-CZ2 3.95Å; P482-W525 VanDerWaalsContact O-CZ2 3.26Å; P482-W525 WeakPolarHBondContact O-CZ2 3.35Å; P482-W525 PolarHBondContact O-NE1 3.41Å
483	K	74.3	Confident	85	Confident	139 Å²	139	20.4 Å²	20.4	60%	0.604	10%	0.101	S	C	*	.	S	Bend	trans	-67.5	-19.6	178.3	-174.6	171.1	177.2	176.8	0	113.5
484	H	75.8	Confident	85.1	Confident	79 Å²	79	20.4 Å²	20.4	37%	0.366	10%	0.1	S	C	.	.	S	Bend	trans	-143	146.7	-177.9	-58.5	-65.7	0	0	0	109.6	P482	P482-H484 WeakPolarHBondContact CG-O 3.29Å; P482-H484 PolarHBondContact O-N 2.73Å
485	I	76.1	Confident	85.1	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.096	C	C	.	.			trans	-72.3	151.5	177.1	-62.8	163.3	0	0	0	111.2	F489 Y549 L585 S586 D587 F588 T609 P610	I485-F489 HydrophobicContact CG2-CE1 4.08Å; I485-Y549 HydrophobicContact CG2-CE1 4.02Å; I485-Y549 WeakPolarHBondContact CG2-OH 3.35Å; I485-L585 HydrophobicContact CG2-CD2 4.42Å; I485-S586 WeakPolarHBondContact CD1-O 3.36Å; I485-D587 HydrophobicContact CD1-CB 4.23Å; I485-F588 HydrophobicContact CD1-CD1 4.19Å; I485-F588 HydrophobicContact CD1-CE1 4.22Å; I485-F588 HydrophobicContact CG2-CE1 4.3Å; I485-T609 WeakPolarHBondContact CD1-OG1 3.48Å; I485-P610 WeakPolarHBondContact CD1-O 3.47Å; I485-P610 VanDerWaalsContact CG1-O 3.24Å; I485-P610 WeakPolarHBondContact CG1-O 3.35Å
486	H	69.1	Low	85	Confident	25 Å²	25	19.1 Å²	19.1	12%	0.116	10%	0.095	C	C	.	.			trans	-140.7	164.3	177.8	-172.2	-117	0	0	0	110.2	L294 C298 S488 F489	L294-H486 HydrophobicContact CD2-CB 4Å; C298-H486 WeakPolarHBondContact CB-ND1 3.33Å; C298-H486 WeakPolarHBondContact SG-CB 3.4Å; C298-H486 PolarHBondContact SG-ND1 3.01Å; H486-S488 PolarHBondContact ND1-N 2.86Å; H486-S488 PolarHBondContact ND1-O 3.23Å; H486-S488 PolarHBondContact O-N 2.59Å; H486-F489 HydrophobicContact CB-CD1 4.3Å; H486-F489 VanDerWaalsContact O-CD1 3.31Å; H486-F489 WeakPolarHBondContact O-CD1 3.31Å; H486-F489 WeakPolarHBondContact O-CE1 3.31Å
487	P	74.4	Confident	84.7	Confident	19 Å²	19	19.7 Å²	19.7	12%	0.123	10%	0.102	C	C	.	.	S	Bend	trans	-65.8	-9.3	173.2	-21.8	34.6	0	0	0	115.4	A578 S579 P582 L585	P487-A578 CarbonylContact O-C 3.52Å; P487-A578 WeakPolarHBondContact O-CA 3.09Å; P487-S579 PolarHBondContact O-N 3.07Å; P487-P582 HydrophobicContact CB-CB 3.78Å; P487-P582 HydrophobicContact CG-CB 3.65Å; P487-L585 HydrophobicContact CB-CD2 4.43Å; P487-L585 HydrophobicContact CG-CD1 4.03Å; P487-L585 HydrophobicContact CG-CD2 3.96Å; P487-L585 HydrophobicContact CG-CG 4.38Å
488	S	78.9	Confident	84.3	Confident	60 Å²	60	20 Å²	20	42%	0.42	10%	0.103	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	130.5	171	177.3	0	0	0	0	109.4	C298 H486 I577	C298-S488 WeakPolarHBondContact CB-O 3.37Å; C298-S488 PolarHBondContact SG-O 3.03Å; H486-S488 PolarHBondContact ND1-N 2.86Å; H486-S488 PolarHBondContact ND1-O 3.23Å; H486-S488 PolarHBondContact O-N 2.59Å; S488-I577 CarbonylContact C-O 3.51Å; S488-I577 WeakPolarHBondContact CA-O 3.19Å
489	F	80.9	Confident	83.9	Confident	3 Å²	3	21.7 Å²	21.7	1%	0.013	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	165.9	177.9	57.8	-86.4	0	0	0	111.7	P482 I485 H486 T491 W525 I577 F588	P482-F489 HydrophobicContact CG-CB 4.13Å; P482-F489 HydrophobicContact CG-CD2 3.86Å; P482-F489 HydrophobicContact CG-CG 4.04Å; I485-F489 HydrophobicContact CG2-CE1 4.08Å; H486-F489 HydrophobicContact CB-CD1 4.3Å; H486-F489 VanDerWaalsContact O-CD1 3.31Å; H486-F489 WeakPolarHBondContact O-CD1 3.31Å; H486-F489 WeakPolarHBondContact O-CE1 3.31Å; F489-T491 VanDerWaalsContact CE2-OG1 3.31Å; F489-T491 WeakPolarHBondContact CE2-OG1 3.46Å; F489-W525 HydrophobicContact CD2-CH2 4.31Å; F489-W525 AromaticContact CE2-CH2 3.55Å; F489-W525 HydrophobicContact CE2-CH2 3.55Å; F489-W525 HydrophobicContact CE2-CZ3 4.19Å; F489-W525 HydrophobicContact CZ-CH2 4.11Å; F489-I577 HydrophobicContact CE1-CB 4.4Å; F489-I577 HydrophobicContact CE2-CB 4.08Å; F489-I577 HydrophobicContact CE2-CD1 3.91Å; F489-I577 HydrophobicContact CE2-CG1 4.15Å; F489-I577 HydrophobicContact CZ-CB 4.03Å; F489-I577 HydrophobicContact CZ-CD1 4.24Å; F489-I577 HydrophobicContact CZ-CG1 4.5Å; F489-I577 HydrophobicContact CZ-CG2 4.25Å; F489-I577 PolarHBondContact N-O 3.48Å; F489-I577 PolarHBondContact O-N 2.68Å; F489-F588 HydrophobicContact CZ-CE1 4.34Å; F489-F588 HydrophobicContact CZ-CZ 4.04Å
490	K	82.4	Confident	83.4	Confident	60 Å²	60	22 Å²	22	26%	0.261	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	122.3	177.6	-64.6	176.9	-173.1	178	0	109.4	D300 L301 I574 P576	D300-K490 IonicContact OD1-NZ 2.98Å; D300-K490 PolarHBondContact OD1-NZ 2.57Å; L301-K490 HydrophobicContact CD1-CD 3.57Å; L301-K490 HydrophobicContact CG-CD 3.85Å; K490-I574 HydrophobicContact CB-CG2 3.94Å; K490-I574 HydrophobicContact CD-CG2 4.39Å; K490-I574 HydrophobicContact CG-CG2 4.39Å; K490-P576 HydrophobicContact CG-CB 4.29Å
491	T	87.2	Confident	83.2	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	152	175.4	-55.1	0	0	0	0	108.6	V479 Y480 F489 W525 M542 I574 F575 I577 L590	V479-T491 HydrophobicContact CG1-CG2 3.94Å; Y480-T491 CarbonylContact O-C 3.59Å; Y480-T491 WeakPolarHBondContact O-CG2 3.45Å; F489-T491 VanDerWaalsContact CE2-OG1 3.31Å; F489-T491 WeakPolarHBondContact CE2-OG1 3.46Å; T491-W525 HydrophobicContact CG2-CE3 4.42Å; T491-W525 HydrophobicContact CG2-CZ3 4.14Å; T491-M542 HydrophobicContact CG2-CE 3.87Å; T491-M542 HydrophobicContact CG2-SD 4.46Å; T491-I574 CarbonylContact O-C 3.47Å; T491-I574 WeakPolarHBondContact O-CA 3.34Å; T491-F575 PolarHBondContact N-O 2.99Å; T491-F575 PolarHBondContact O-N 3.41Å; T491-I577 VanDerWaalsContact OG1-CD1 3.24Å; T491-I577 WeakPolarHBondContact OG1-CD1 3.37Å; T491-L590 HydrophobicContact CG2-CD1 4.38Å
492	V	89.6	Confident	83	Confident	3 Å²	3	22.6 Å²	22.6	2%	0.018	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	121.9	176.6	176.7	0	0	0	0	110.7	Y480 L505 V507 L522 R572 L573 I574	Y480-V492 PolarHBondContact N-O 3.42Å; Y480-V492 PolarHBondContact O-N 3.14Å; V492-L505 HydrophobicContact CG1-CD2 4.12Å; V492-V507 HydrophobicContact CG1-CG2 4.38Å; V492-V507 HydrophobicContact CG2-CG2 4.21Å; V492-L522 HydrophobicContact CB-CD1 3.79Å; V492-L522 HydrophobicContact CG2-CD1 3.45Å; V492-L522 VanDerWaalsContact CG2-CD1 3.45Å; V492-R572 HydrophobicContact CG1-CB 4.25Å; V492-L573 CarbonylContact C-O 3.57Å; V492-L573 VanDerWaalsContact CA-O 3.3Å; V492-L573 WeakPolarHBondContact CA-O 3.41Å; V492-I574 HydrophobicContact CG2-CB 4.47Å; V492-I574 HydrophobicContact CG2-CG1 4.02Å
493	V	92.3	Very high	82.9	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	115	168.7	-175.5	0	0	0	0	107.8	V477 G478 V479 I540 M542 L573 F575	V477-V493 HydrophobicContact CG1-CG1 3.34Å; G478-V493 WeakPolarHBondContact O-CA 3.14Å; V479-V493 HydrophobicContact CG2-CG2 4.46Å; V493-I540 HydrophobicContact CG1-CD1 4.41Å; V493-I540 HydrophobicContact CG1-CG2 4.17Å; V493-M542 HydrophobicContact CG2-CE 3.32Å; V493-L573 PolarHBondContact N-O 3.25Å; V493-L573 PolarHBondContact O-N 3.04Å; V493-F575 HydrophobicContact CB-CD2 4.43Å; V493-F575 HydrophobicContact CB-CE2 4.04Å; V493-F575 HydrophobicContact CG2-CD2 3.84Å; V493-F575 HydrophobicContact CG2-CE2 3.72Å
494	A	91.3	Very high	83.1	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.4	176.4	0	0	0	0	0	110.7	G478 Y480 F496 L505 V570 S571 R572	G478-A494 PolarHBondContact N-O 2.9Å; G478-A494 PolarHBondContact O-N 3.04Å; Y480-A494 HydrophobicContact CD2-CB 4.19Å; Y480-A494 HydrophobicContact CE2-CB 3.86Å; A494-F496 HydrophobicContact CB-CE2 3.61Å; A494-F496 HydrophobicContact CB-CZ 3.62Å; A494-F496 WeakPolarHBondContact O-CD2 3.35Å; A494-F496 WeakPolarHBondContact O-CE2 3.13Å; A494-L505 HydrophobicContact CB-CD2 3.83Å; A494-V570 HydrophobicContact CB-CG1 4.24Å; A494-S571 CarbonylContact C-O 3.5Å; A494-S571 VanDerWaalsContact CA-O 3.32Å; A494-S571 WeakPolarHBondContact CA-O 3.34Å; A494-R572 HydrophobicContact CB-CG 4.35Å
495	V	91.1	Very high	83.1	Confident	6 Å²	6	20.1 Å²	20.1	4%	0.036	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	121.3	179	-174.5	0	0	0	0	108.9	I475 I540 V560 M565 V570 S571	I475-V495 HydrophobicContact CG2-CG1 3.53Å; V495-I540 HydrophobicContact CG2-CD1 3.41Å; V495-I540 VanDerWaalsContact CG2-CD1 3.41Å; V495-V560 HydrophobicContact CG2-CG2 4.01Å; V495-M565 HydrophobicContact CG1-CE 4.28Å; V495-V570 WeakPolarHBondContact O-CA 3.4Å; V495-S571 PolarHBondContact N-O 3.4Å; V495-S571 PolarHBondContact O-N 3.41Å
496	F	89.9	Confident	82.8	Confident	1 Å²	1	22.5 Å²	22.5	0%	0.004	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	136.3	-176.9	-53.9	-94.8	0	0	0	110.6	L361 T476 Y480 A494 H498 A501 V570	L361-F496 HydrophobicContact CD1-CE1 4.39Å; L361-F496 HydrophobicContact CD2-CE1 4.39Å; T476-F496 PolarHBondContact N-O 3.45Å; T476-F496 PolarHBondContact O-N 2.85Å; Y480-F496 AromaticContact CE2-CE2 3.95Å; Y480-F496 HydrophobicContact CE2-CE2 3.95Å; Y480-F496 AromaticContact CE2-CZ 3.99Å; Y480-F496 HydrophobicContact CE2-CZ 3.99Å; Y480-F496 AromaticContact CZ-CZ 3.98Å; Y480-F496 VanDerWaalsContact OH-CZ 3.25Å; Y480-F496 WeakPolarHBondContact OH-CZ 3.3Å; A494-F496 HydrophobicContact CB-CE2 3.61Å; A494-F496 HydrophobicContact CB-CZ 3.62Å; A494-F496 WeakPolarHBondContact O-CD2 3.35Å; A494-F496 WeakPolarHBondContact O-CE2 3.13Å; F496-H498 WeakPolarHBondContact CB-O 3.3Å; F496-H498 AromaticContact CD1-CE1 3.74Å; F496-H498 PolarHBondContact O-N 3.13Å; F496-H498 VanDerWaalsContact O-N 3.16Å; F496-A501 HydrophobicContact CD2-CB 4.26Å; F496-A501 HydrophobicContact CE2-CB 4.05Å; F496-A501 HydrophobicContact CZ-CB 4.48Å; F496-V570 HydrophobicContact CD1-CB 4.33Å; F496-V570 HydrophobicContact CD1-CG1 3.71Å; F496-V570 HydrophobicContact CD1-CG2 3.56Å; F496-V570 HydrophobicContact CE1-CG1 3.59Å; F496-V570 HydrophobicContact CE1-CG2 4.12Å; F496-V570 HydrophobicContact CG-CG1 4.36Å; F496-V570 HydrophobicContact CG-CG2 4.35Å; F496-V570 HydrophobicContact CZ-CG1 4.15Å
497	G	85.4	Confident	82.6	Confident	13 Å²	13	22.1 Å²	22.1	13%	0.134	12%	0.121	C	C	.	.	S	Bend	trans	-72.7	6	171.2	0	0	0	0	0	114.8
498	H	86.4	Confident	81.7	Confident	6 Å²	6	25.4 Å²	25.4	3%	0.028	14%	0.137	C	C	.	.	S	Bend	trans	-149.9	166.4	-173.6	57.9	46.4	0	0	0	112.4	L361 P377 S399 T476 F496 C500	L361-H498 PolarHBondContact O-NE2 2.97Å; P377-H498 VanDerWaalsContact CA-CD2 3.4Å; P377-H498 WeakPolarHBondContact CA-CD2 3.24Å; P377-H498 VanDerWaalsContact N-CD2 3.29Å; S399-H498 VanDerWaalsContact OG-CA 3.28Å; S399-H498 WeakPolarHBondContact OG-CA 3.38Å; T476-H498 WeakPolarHBondContact CB-O 3.37Å; T476-H498 PolarHBondContact OG1-O 3.19Å; F496-H498 WeakPolarHBondContact CB-O 3.3Å; F496-H498 AromaticContact CD1-CE1 3.74Å; F496-H498 PolarHBondContact O-N 3.13Å; F496-H498 VanDerWaalsContact O-N 3.16Å; H498-C500 VanDerWaalsContact C-N 3.3Å; H498-C500 PolarHBondContact CE1-O 3.16Å; H498-C500 PolarHBondContact ND1-N 3.44Å; H498-C500 PolarHBondContact ND1-O 2.92Å; H498-C500 PolarHBondContact O-N 3Å
499	E	83.8	Confident	80	Confident	37 Å²	37	25 Å²	25	17%	0.173	13%	0.129	C	C	.	.	S	Bend	trans	-70.5	-19.4	-178.4	-147.9	-139.9	127.9	0	0	115.2	N337 K397 S399 T476 A501 K527	N337-E499 PolarHBondContact ND2-OE1 3.44Å; N337-E499 PolarHBondContact ND2-OE2 3.47Å; K397-E499 WeakPolarHBondContact CD-OE2 3.4Å; S399-E499 PolarHBondContact OG-N 3.38Å; T476-E499 WeakPolarHBondContact OG1-CA 3.49Å; E499-A501 PolarHBondContact O-N 3.33Å; E499-K527 PolarHBondContact O-NZ 3.37Å; E499-K527 IonicContact OE1-NZ 2.86Å; E499-K527 PolarHBondContact OE1-NZ 3.48Å
500	C	83.6	Confident	77.8	Confident	6 Å²	6	31.8 Å²	31.8	4%	0.041	17%	0.17	C	C	.	.			trans	-71.6	80.9	-176.5	-179.8	0	0	0	0	112.5	T336 P377 H498	T336-C500 HydrophobicContact CG2-CB 4.29Å; P377-C500 HydrophobicContact CB-CB 4.24Å; P377-C500 HydrophobicContact CG-CB 3.81Å; H498-C500 VanDerWaalsContact C-N 3.3Å; H498-C500 PolarHBondContact CE1-O 3.16Å; H498-C500 PolarHBondContact ND1-N 3.44Å; H498-C500 PolarHBondContact ND1-O 2.92Å; H498-C500 PolarHBondContact O-N 3Å
501	A	85.6	Confident	75.5	Confident	6 Å²	6	33.5 Å²	33.5	5%	0.05	19%	0.186	C	C	.	.			trans	-97	111.9	168.3	0	0	0	0	0	109.5	T476 F496 E499 K527	T476-A501 HydrophobicContact CG2-CB 4.37Å; F496-A501 HydrophobicContact CD2-CB 4.26Å; F496-A501 HydrophobicContact CE2-CB 4.05Å; F496-A501 HydrophobicContact CZ-CB 4.48Å; E499-A501 PolarHBondContact O-N 3.33Å; A501-K527 HydrophobicContact CB-CB 4.46Å; A501-K527 HydrophobicContact CB-CD 4.03Å
502	P	82.3	Confident	73.3	Confident	6 Å²	6	43.7 Å²	43.7	4%	0.039	22%	0.224	C	C	.	.			trans	-67.2	158.4	-177	30.1	-39.1	0	0	0	112.6	T318 L361 Y480 T504	T318-P502 HydrophobicContact CG2-CB 3.89Å; L361-P502 HydrophobicContact CD1-CG 4.07Å; Y480-P502 VanDerWaalsContact CE1-O 3.27Å; Y480-P502 WeakPolarHBondContact CE1-O 3.45Å; Y480-P502 WeakPolarHBondContact OH-CD 3.42Å; Y480-P502 PolarHBondContact OH-O 2.8Å; P502-T504 VanDerWaalsContact C-N 3.27Å; P502-T504 WeakPolarHBondContact CB-O 3.42Å; P502-T504 PolarHBondContact O-N 2.94Å
503	K	81.4	Confident	70.4	Confident	118 Å²	118	52.5 Å²	52.5	51%	0.513	27%	0.265	S	S	.	.	S	Bend	trans	-66.4	-27.6	172	-82.4	-174.2	-179.8	135.1	0	114.1	D335 L524	D335-K503 WeakPolarHBondContact OD1-CE 3.15Å; D335-K503 IonicContact OD1-NZ 2.93Å; D335-K503 PolarHBondContact OD1-NZ 3.36Å; D335-K503 WeakPolarHBondContact OD2-CD 3.4Å; D335-K503 WeakPolarHBondContact OD2-CE 3.21Å; D335-K503 IonicContact OD2-NZ 3.66Å; D335-K503 PolarHBondContact OD2-NZ 2.82Å; K503-L524 PolarHBondContact O-N 3.06Å
504	T	78.2	Confident	67.6	Low	49 Å²	49	57.3 Å²	57.3	30%	0.301	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	127.5	179.6	-53.7	0	0	0	0	108.4	P502 A521 L522	P502-T504 VanDerWaalsContact C-N 3.27Å; P502-T504 WeakPolarHBondContact CB-O 3.42Å; P502-T504 PolarHBondContact O-N 2.94Å; T504-A521 HydrophobicContact CG2-CB 3.91Å; T504-L522 CarbonylContact C-O 3.53Å; T504-L522 VanDerWaalsContact CA-O 3.31Å; T504-L522 WeakPolarHBondContact CA-O 3.48Å
505	L	75.5	Confident	65.1	Low	4 Å²	4	65.5 Å²	65.5	2%	0.021	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	123.8	172.4	-177.4	66.5	0	0	0	108.9	Y480 V492 A494 V507 L522	Y480-L505 HydrophobicContact CD1-CB 3.44Å; Y480-L505 VanDerWaalsContact CD1-CB 3.44Å; Y480-L505 HydrophobicContact CD1-CD2 4.39Å; Y480-L505 HydrophobicContact CD2-CB 4.41Å; Y480-L505 HydrophobicContact CD2-CD2 3.87Å; Y480-L505 HydrophobicContact CE1-CB 3.51Å; Y480-L505 HydrophobicContact CE2-CB 4.49Å; Y480-L505 HydrophobicContact CE2-CD2 4.07Å; Y480-L505 HydrophobicContact CG-CB 3.92Å; Y480-L505 HydrophobicContact CG-CD2 4.05Å; V492-L505 HydrophobicContact CG1-CD2 4.12Å; A494-L505 HydrophobicContact CB-CD2 3.83Å; L505-V507 HydrophobicContact CD2-CG2 4.01Å; L505-V507 HydrophobicContact CG-CG2 4Å; L505-L522 PolarHBondContact N-O 3.4Å; L505-L522 PolarHBondContact O-N 3.29Å
506	L	70.3	Confident	62.4	Low	51 Å²	51	72.9 Å²	72.9	27%	0.267	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	126.2	166.1	-60.2	-176.1	0	0	0	108.8	P315 P519 A521	P315-L506 HydrophobicContact CB-CD1 3.95Å; L506-P519 HydrophobicContact CB-CB 4.06Å; L506-P519 HydrophobicContact CD1-CB 4.43Å; L506-P519 HydrophobicContact CD2-CB 4.34Å; L506-A521 HydrophobicContact CD2-CB 3.79Å
507	V	64.2	Low	60.1	Low	17 Å²	17	75.5 Å²	75.5	10%	0.103	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	108.1	177	-176.5	0	0	0	0	108	V492 L505 V520 L522	V492-V507 HydrophobicContact CG1-CG2 4.38Å; V492-V507 HydrophobicContact CG2-CG2 4.21Å; L505-V507 HydrophobicContact CD2-CG2 4.01Å; L505-V507 HydrophobicContact CG-CG2 4Å; V507-V520 PolarHBondContact N-O 3.04Å; V507-V520 PolarHBondContact O-N 3.46Å; V507-V520 VanDerWaalsContact O-N 3.09Å; V507-L522 HydrophobicContact CG2-CD1 3.99Å; V507-L522 HydrophobicContact CG2-CG 4.48Å
508	N	55.5	Low	58.2	Low	87 Å²	87	78.5 Å²	78.5	47%	0.465	42%	0.423	S	S	.	.			trans	-83	145	155.4	-72.5	6.9	0	0	0	107.7	P519	N508-P519 WeakPolarHBondContact OD1-CA 3.3Å; N508-P519 VanDerWaalsContact OD1-CB 3.28Å; N508-P519 WeakPolarHBondContact OD1-CB 3.34Å
509	E	42.6	Very low	56.6	Low	53 Å²	53	81.2 Å²	81.2	25%	0.248	44%	0.441	C	S	.	.			trans	-68.5	145.2	171.6	-80.9	171.6	-112.3	0	0	112.2	L301 T511	L301-E509 WeakPolarHBondContact CB-OE1 3.46Å; L301-E509 HydrophobicContact CD1-CG 4.11Å; E509-T511 WeakPolarHBondContact CB-OG1 3.15Å; E509-T511 PolarHBondContact OE2-OG1 3.37Å; E509-T511 VanDerWaalsContact OE2-OG1 3.09Å
510	V	35.8	Very low	55.6	Low	145 Å²	145	82.4 Å²	82.4	88%	0.879	45%	0.451	S	S	*	.			trans	-108.2	5.6	174.1	-168.5	0	0	0	0	110
511	T	33.1	Very low	55.1	Low	95 Å²	95	84.8 Å²	84.8	58%	0.583	47%	0.471	S	S	*	.	S	Bend	trans	-74.1	131.2	172	13.8	0	0	0	0	110.2	E509 Q513	E509-T511 WeakPolarHBondContact CB-OG1 3.15Å; E509-T511 PolarHBondContact OE2-OG1 3.37Å; E509-T511 VanDerWaalsContact OE2-OG1 3.09Å; T511-Q513 PolarHBondContact O-N 2.81Å; T511-Q513 VanDerWaalsContact O-N 3.13Å
512	R	40.6	Very low	54.9	Low	214 Å²	214	85.1 Å²	85.1	81%	0.808	47%	0.472	S	S	*	.	S	Bend	trans	-60.1	107.6	-171.6	-67.6	170.2	166.9	-176.9	-7.8	112.9
513	Q	29.2	Very low	55	Low	189 Å²	189	89 Å²	89	88%	0.883	49%	0.489	S	S	*	.			trans	-164.2	154.9	150.4	-110.2	158.9	56.7	0	0	112.4	T511 H515	T511-Q513 PolarHBondContact O-N 2.81Å; T511-Q513 VanDerWaalsContact O-N 3.13Å; Q513-H515 PolarHBondContact O-N 3.36Å
514	A	33.6	Very low	55.4	Low	101 Å²	101	85 Å²	85	84%	0.835	47%	0.473	S	S	*	.	S	Bend	trans	-91.1	21.2	-159.4	0	0	0	0	0	116.1
515	H	38.3	Very low	55.9	Low	172 Å²	172	84.3 Å²	84.3	80%	0.796	47%	0.465	S	S	*	.	S	Bend	trans	-130.2	116.2	177.7	-75.3	-3.8	0	0	0	109.8	Q513 P517	Q513-H515 PolarHBondContact O-N 3.36Å; H515-P517 WeakPolarHBondContact O-CD 3.16Å
516	N	34.3	Very low	56.5	Low	161 Å²	161	85.1 Å²	85.1	86%	0.861	47%	0.474	S	S	*	.			trans	-61.2	114.1	-177.2	-81.7	-41.1	0	0	0	111.8
517	P	42.6	Very low	57.5	Low	55 Å²	55	86.9 Å²	86.9	36%	0.357	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-73.4	164	167	33.5	-34.5	0	0	0	110.3	H515	H515-P517 WeakPolarHBondContact O-CD 3.16Å
518	A	44.6	Very low	58.9	Low	77 Å²	77	88.7 Å²	88.7	64%	0.636	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-75.2	137.8	172.9	0	0	0	0	0	110.7	V520	A518-V520 PolarHBondContact O-N 2.8Å
519	P	54.2	Low	60.6	Low	63 Å²	63	87.9 Å²	87.9	41%	0.409	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-56.8	129.5	-179.5	17.3	-30.1	0	0	0	112.6	L506 N508	L506-P519 HydrophobicContact CB-CB 4.06Å; L506-P519 HydrophobicContact CD1-CB 4.43Å; L506-P519 HydrophobicContact CD2-CB 4.34Å; N508-P519 WeakPolarHBondContact OD1-CA 3.3Å; N508-P519 VanDerWaalsContact OD1-CB 3.28Å; N508-P519 WeakPolarHBondContact OD1-CB 3.34Å
520	V	63	Low	63	Low	61 Å²	61	86.4 Å²	86.4	37%	0.37	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	126.3	170.9	-179.3	0	0	0	0	109.1	V507 A518 L522	V507-V520 PolarHBondContact N-O 3.04Å; V507-V520 PolarHBondContact O-N 3.46Å; V507-V520 VanDerWaalsContact O-N 3.09Å; A518-V520 PolarHBondContact O-N 2.8Å; V520-L522 HydrophobicContact CG1-CD2 3.97Å; V520-L522 HydrophobicContact CG1-CG 4.38Å
521	A	72.5	Confident	65.6	Low	56 Å²	56	83.5 Å²	83.5	46%	0.463	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	110	177.9	0	0	0	0	0	111	T504 L506	T504-A521 HydrophobicContact CG2-CB 3.91Å; L506-A521 HydrophobicContact CD2-CB 3.79Å
522	L	81.1	Confident	68.2	Low	14 Å²	14	79.4 Å²	79.4	7%	0.073	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	143.8	176.6	-59.2	179.5	0	0	0	110.9	V492 T504 L505 V507 V520	V492-L522 HydrophobicContact CB-CD1 3.79Å; V492-L522 HydrophobicContact CG2-CD1 3.45Å; V492-L522 VanDerWaalsContact CG2-CD1 3.45Å; T504-L522 CarbonylContact C-O 3.53Å; T504-L522 VanDerWaalsContact CA-O 3.31Å; T504-L522 WeakPolarHBondContact CA-O 3.48Å; L505-L522 PolarHBondContact N-O 3.4Å; L505-L522 PolarHBondContact O-N 3.29Å; V507-L522 HydrophobicContact CG2-CD1 3.99Å; V507-L522 HydrophobicContact CG2-CG 4.48Å; V520-L522 HydrophobicContact CG1-CD2 3.97Å; V520-L522 HydrophobicContact CG1-CG 4.38Å
523	Q	84.4	Confident	70.2	Confident	86 Å²	86	72.6 Å²	72.6	40%	0.402	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	138.3	179.9	-173.9	179.9	-35.5	0	0	110.6	Y480 G481 W525	Y480-Q523 CarbonylContact C-O 3.51Å; Y480-Q523 VanDerWaalsContact CA-O 3.28Å; Y480-Q523 WeakPolarHBondContact CA-O 3.33Å; G481-Q523 PolarHBondContact N-O 3.47Å; G481-Q523 PolarHBondContact O-N 3.04Å; Q523-W525 VanDerWaalsContact O-CD1 3.28Å; Q523-W525 PolarHBondContact O-N 2.67Å
524	L	89	Confident	72.9	Confident	35 Å²	35	67.7 Å²	67.7	18%	0.183	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	121.1	171.3	-176.7	69.5	0	0	0	110	Y480 K503 G526 K527	Y480-L524 HydrophobicContact CD1-CB 3.96Å; Y480-L524 HydrophobicContact CD1-CD1 4.25Å; Y480-L524 HydrophobicContact CD2-CD1 4.33Å; Y480-L524 HydrophobicContact CE1-CB 3.73Å; Y480-L524 HydrophobicContact CE1-CD1 3.81Å; Y480-L524 HydrophobicContact CE1-CG 4.34Å; Y480-L524 HydrophobicContact CE2-CD1 3.88Å; Y480-L524 HydrophobicContact CG-CD1 4.49Å; K503-L524 PolarHBondContact O-N 3.06Å; L524-G526 WeakPolarHBondContact CD1-O 3.46Å; L524-K527 HydrophobicContact CD1-CB 4.46Å
525	W	89.5	Confident	75.4	Confident	35 Å²	35	64.5 Å²	64.5	13%	0.133	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-33.9	174.2	-65.1	-8.6	0	0	0	111.7	V479 G481 P482 F489 T491 Q523 L590 V607 T609 P610	V479-W525 HydrophobicContact CG1-CE3 4.36Å; V479-W525 PolarHBondContact O-N 2.77Å; G481-W525 VanDerWaalsContact CA-CE2 3.47Å; P482-W525 VanDerWaalsContact CD-CZ2 3.49Å; P482-W525 HydrophobicContact CG-CH2 4.43Å; P482-W525 HydrophobicContact CG-CZ2 3.95Å; P482-W525 VanDerWaalsContact O-CZ2 3.26Å; P482-W525 WeakPolarHBondContact O-CZ2 3.35Å; P482-W525 PolarHBondContact O-NE1 3.41Å; F489-W525 HydrophobicContact CD2-CH2 4.31Å; F489-W525 AromaticContact CE2-CH2 3.55Å; F489-W525 HydrophobicContact CE2-CH2 3.55Å; F489-W525 HydrophobicContact CE2-CZ3 4.19Å; F489-W525 HydrophobicContact CZ-CH2 4.11Å; T491-W525 HydrophobicContact CG2-CE3 4.42Å; T491-W525 HydrophobicContact CG2-CZ3 4.14Å; Q523-W525 VanDerWaalsContact O-CD1 3.28Å; Q523-W525 PolarHBondContact O-N 2.67Å; W525-L590 HydrophobicContact CE3-CD1 4.23Å; W525-L590 HydrophobicContact CZ3-CD1 3.78Å; W525-V607 HydrophobicContact CB-CG1 3.54Å; W525-T609 HydrophobicContact CE3-CG2 3.98Å; W525-T609 HydrophobicContact CH2-CG2 3.98Å; W525-T609 HydrophobicContact CZ3-CG2 3.5Å; W525-P610 VanDerWaalsContact CZ2-CD 3.44Å; W525-P610 HydrophobicContact CZ2-CG 3.81Å
526	G	88.6	Confident	77.9	Confident	20 Å²	20	56.9 Å²	56.9	21%	0.206	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.5	152.1	174	0	0	0	0	0	112.4	V479 L524	V479-G526 PolarHBondContact N-O 3.47Å; V479-G526 PolarHBondContact O-N 3.08Å; L524-G526 WeakPolarHBondContact CD1-O 3.46Å
527	K	91.8	Very high	80.6	Confident	89 Å²	89	51.4 Å²	51.4	39%	0.387	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142.8	170.4	74.7	175.7	-166.3	172.1	0	110.8	T476 V477 E499 A501 L524	T476-K527 HydrophobicContact CG2-CB 4.26Å; T476-K527 HydrophobicContact CG2-CD 4.27Å; V477-K527 CarbonylContact O-C 3.55Å; V477-K527 WeakPolarHBondContact O-CA 3.3Å; E499-K527 PolarHBondContact O-NZ 3.37Å; E499-K527 IonicContact OE1-NZ 2.86Å; E499-K527 PolarHBondContact OE1-NZ 3.48Å; A501-K527 HydrophobicContact CB-CB 4.46Å; A501-K527 HydrophobicContact CB-CD 4.03Å; L524-K527 HydrophobicContact CD1-CB 4.46Å
528	H	93	Very high	82.9	Confident	55 Å²	55	48.9 Å²	48.9	26%	0.255	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	149.3	172.6	179	77.4	0	0	0	109.5	T476 V477 T603 F605	T476-H528 CarbonylContact C-O 3.59Å; T476-H528 WeakPolarHBondContact CA-O 3.31Å; V477-H528 PolarHBondContact N-O 3.45Å; V477-H528 PolarHBondContact O-N 2.95Å; H528-T603 PolarHBondContact NE2-OG1 3.27Å; H528-F605 HydrophobicContact CB-CB 4.28Å; H528-F605 HydrophobicContact CB-CD1 3.58Å; H528-F605 HydrophobicContact CB-CD2 3.69Å; H528-F605 HydrophobicContact CB-CE1 3.7Å; H528-F605 HydrophobicContact CB-CE2 3.79Å; H528-F605 HydrophobicContact CB-CG 3.58Å; H528-F605 HydrophobicContact CB-CZ 3.8Å; H528-F605 AromaticContact CD2-CD1 3.57Å; H528-F605 AromaticContact CD2-CE1 3.98Å; H528-F605 AromaticContact CG-CD1 3.54Å; H528-F605 AromaticContact CG-CG 3.71Å
529	Q	91.8	Very high	85.1	Confident	70 Å²	70	48.1 Å²	48.1	33%	0.327	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	134.2	-177.9	-169.7	-179.9	51.2	0	0	110	K474 I475	K474-Q529 HydrophobicContact CB-CG 3.94Å; I475-Q529 WeakPolarHBondContact O-CA 3.37Å
530	F	92.1	Very high	87	Confident	22 Å²	22	45.1 Å²	45.1	10%	0.096	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	158.1	-179.9	73.3	-72	0	0	0	110.5	K474 I475 V477 L532 L538 V594 L602 T603	K474-F530 CarbonylContact C-O 3.6Å; K474-F530 WeakPolarHBondContact CA-O 3.32Å; I475-F530 HydrophobicContact CB-CE1 4.06Å; I475-F530 HydrophobicContact CB-CZ 4.35Å; I475-F530 HydrophobicContact CG2-CE1 3.99Å; I475-F530 HydrophobicContact CG2-CZ 4.35Å; I475-F530 PolarHBondContact N-O 2.9Å; I475-F530 PolarHBondContact O-N 3.24Å; V477-F530 HydrophobicContact CG2-CD1 4.39Å; V477-F530 HydrophobicContact CG2-CE1 3.8Å; F530-L532 HydrophobicContact CD2-CG 4.42Å; F530-L532 HydrophobicContact CE2-CD1 3.5Å; F530-L532 HydrophobicContact CE2-CG 3.73Å; F530-L532 HydrophobicContact CZ-CD1 3.6Å; F530-L532 HydrophobicContact CZ-CG 4.34Å; F530-L538 HydrophobicContact CZ-CD1 4.09Å; F530-V594 HydrophobicContact CE1-CG1 4.5Å; F530-V594 HydrophobicContact CE2-CG1 4.39Å; F530-V594 HydrophobicContact CZ-CG1 3.87Å; F530-L602 HydrophobicContact CD2-CB 4.42Å; F530-L602 HydrophobicContact CE2-CB 4.21Å; F530-L602 HydrophobicContact CE2-CD1 4.15Å; F530-T603 HydrophobicContact CB-CG2 4Å; F530-T603 HydrophobicContact CD1-CG2 3.78Å; F530-T603 HydrophobicContact CD2-CG2 4.02Å; F530-T603 HydrophobicContact CE1-CG2 4.26Å; F530-T603 HydrophobicContact CE2-CG2 4.45Å; F530-T603 HydrophobicContact CG-CG2 3.66Å
531	T	90.5	Very high	88.3	Confident	84 Å²	84	42.5 Å²	42.5	52%	0.515	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	141.1	-178.8	43.9	0	0	0	0	112.1	S472 K473 K474	S472-T531 WeakPolarHBondContact OG-CG2 3.35Å; K473-T531 WeakPolarHBondContact O-CA 3.36Å; K474-T531 HydrophobicContact CG-CG2 3.93Å
532	L	88.4	Confident	89.2	Confident	8 Å²	8	39.8 Å²	39.8	4%	0.042	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	136.2	173.1	-95.4	157.3	0	0	0	110.5	W468 K473 I475 F530 Q536 L538 M565 L602	W468-L532 HydrophobicContact CZ3-CB 4.36Å; K473-L532 PolarHBondContact N-O 2.99Å; K473-L532 PolarHBondContact O-N 2.94Å; I475-L532 HydrophobicContact CB-CD1 4.33Å; I475-L532 HydrophobicContact CG1-CB 4.3Å; I475-L532 HydrophobicContact CG1-CD1 3.83Å; F530-L532 HydrophobicContact CD2-CG 4.42Å; F530-L532 HydrophobicContact CE2-CD1 3.5Å; F530-L532 HydrophobicContact CE2-CG 3.73Å; F530-L532 HydrophobicContact CZ-CD1 3.6Å; F530-L532 HydrophobicContact CZ-CG 4.34Å; L532-Q536 HydrophobicContact CD2-CG 4.02Å; L532-L538 HydrophobicContact CD1-CD1 3.88Å; L532-L538 HydrophobicContact CD1-CD2 4.18Å; L532-L538 HydrophobicContact CD2-CD2 4.39Å; L532-M565 HydrophobicContact CD1-CE 3.89Å; L532-L602 HydrophobicContact CD2-CD1 4.18Å
533	S	82	Confident	89.5	Confident	71 Å²	71	42.2 Å²	42.2	50%	0.497	21%	0.214	S	C	.	.	S	Bend	trans	-93.6	-18.3	-175.8	51.4	0	0	0	0	114.3
534	R	86.6	Confident	89.5	Confident	87 Å²	87	39.5 Å²	39.5	33%	0.328	20%	0.204	S	C	.	.	S	Bend	trans	-150.5	157.3	176.3	61.8	167.4	175.8	131.9	7.5	110.4	Q536 D597	R534-Q536 HydrophobicContact CG-CB 4.29Å; R534-Q536 HydrophobicContact CG-CG 4.47Å; R534-Q536 PolarHBondContact O-N 3.02Å; R534-D597 IonicContact CZ-OD1 3.64Å; R534-D597 IonicContact CZ-OD2 3.36Å; R534-D597 VanDerWaalsContact CZ-OD2 3.26Å; R534-D597 IonicContact NH1-OD2 3.27Å; R534-D597 PolarHBondContact NH1-OD2 3.37Å; R534-D597 IonicContact NH2-OD1 2.68Å; R534-D597 PolarHBondContact NH2-OD1 2.9Å; R534-D597 IonicContact NH2-OD2 3.56Å; R534-D597 PolarHBondContact NH2-OD2 3.38Å
535	P	86.1	Confident	89	Confident	33 Å²	33	41.4 Å²	41.4	21%	0.214	22%	0.215	C	C	.	.			trans	-74	120.8	165.9	30.9	-29.5	0	0	0	108.6	W468 K566	W468-P535 HydrophobicContact CD2-CB 4.36Å; W468-P535 HydrophobicContact CD2-CG 4.25Å; W468-P535 HydrophobicContact CG-CG 4.21Å; W468-P535 HydrophobicContact CZ2-CB 4.31Å; P535-K566 HydrophobicContact CB-CB 4.11Å; P535-K566 HydrophobicContact CG-CB 4.44Å
536	Q	89.3	Confident	88.3	Confident	12 Å²	12	44 Å²	44	6%	0.056	23%	0.23	C	C	.	.			trans	-144.5	162.7	-176.6	60.1	-179	45.7	0	0	109.3	L532 R534 L538 G562	L532-Q536 HydrophobicContact CD2-CG 4.02Å; R534-Q536 HydrophobicContact CG-CB 4.29Å; R534-Q536 HydrophobicContact CG-CG 4.47Å; R534-Q536 PolarHBondContact O-N 3.02Å; Q536-L538 HydrophobicContact CG-CD2 4.15Å; Q536-L538 PolarHBondContact O-N 3.42Å; Q536-G562 VanDerWaalsContact C-CA 3.46Å; Q536-G562 VanDerWaalsContact O-CA 3.3Å; Q536-G562 WeakPolarHBondContact O-CA 3.36Å
537	D	91.1	Very high	87.3	Confident	47 Å²	47	48.9 Å²	48.9	25%	0.251	26%	0.255	S	S	.	.			trans	-64.4	134.6	172.2	-84.2	22.6	0	0	0	110.2	I559 V560 R561 G562	D537-I559 HydrophobicContact CB-CG2 4.28Å; D537-V560 WeakPolarHBondContact CA-O 3.46Å; D537-R561 VanDerWaalsContact OD1-CA 3.26Å; D537-R561 WeakPolarHBondContact OD1-CA 3.42Å; D537-R561 WeakPolarHBondContact OD2-CD 3.36Å; D537-R561 IonicContact OD2-CZ 3.67Å; D537-R561 IonicContact OD2-NE 2.72Å; D537-R561 IonicContact OD2-NH1 2.63Å; D537-R561 PolarHBondContact OD2-NH1 3.08Å; D537-G562 PolarHBondContact OD1-N 3.4Å
538	L	91.4	Very high	86.4	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	118.8	177.1	-62.6	-174.5	0	0	0	110.4	F530 L532 Q536 I540 I559 V560 M565 V594 K595 L602	F530-L538 HydrophobicContact CZ-CD1 4.09Å; L532-L538 HydrophobicContact CD1-CD1 3.88Å; L532-L538 HydrophobicContact CD1-CD2 4.18Å; L532-L538 HydrophobicContact CD2-CD2 4.39Å; Q536-L538 HydrophobicContact CG-CD2 4.15Å; Q536-L538 PolarHBondContact O-N 3.42Å; L538-I540 PolarHBondContact O-N 3.25Å; L538-I559 CarbonylContact O-C 3.48Å; L538-I559 WeakPolarHBondContact O-CA 3.4Å; L538-V560 HydrophobicContact CB-CB 4.42Å; L538-V560 PolarHBondContact N-O 3.22Å; L538-V560 PolarHBondContact O-N 2.61Å; L538-M565 HydrophobicContact CD1-CE 3.66Å; L538-M565 HydrophobicContact CD1-SD 3.4Å; L538-M565 WeakPolarHBondContact CD1-SD 3.4Å; L538-M565 HydrophobicContact CG-SD 3.68Å; L538-V594 HydrophobicContact CB-CG1 4.29Å; L538-V594 HydrophobicContact CD1-CG1 4.1Å; L538-V594 HydrophobicContact CD2-CG1 4.27Å; L538-V594 HydrophobicContact CG-CG1 4.48Å; L538-K595 WeakPolarHBondContact CA-O 3.5Å; L538-L602 HydrophobicContact CD2-CD1 3.54Å
539	K	91.8	Very high	85.8	Confident	61 Å²	61	44.4 Å²	44.4	27%	0.265	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	100.3	175.4	-177.2	-176.3	-176.3	-172.8	0	108.5	A557 K595 D599	K539-A557 HydrophobicContact CG-CB 4.31Å; K539-K595 HydrophobicContact CB-CB 4.15Å; K539-K595 HydrophobicContact CD-CD 4.38Å; K539-K595 PolarHBondContact N-O 2.56Å; K539-K595 PolarHBondContact O-N 2.68Å; K539-D599 IonicContact NZ-OD1 2.76Å; K539-D599 PolarHBondContact NZ-OD1 2.86Å; K539-D599 IonicContact NZ-OD2 2.78Å; K539-D599 PolarHBondContact NZ-OD2 2.81Å
540	I	93	Very high	85.2	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	114.1	179.5	-64.5	-174.6	0	0	0	108.5	V493 V495 L538 A557 K558 V560 L573 F575 I592 V594	V493-I540 HydrophobicContact CG1-CD1 4.41Å; V493-I540 HydrophobicContact CG1-CG2 4.17Å; V495-I540 HydrophobicContact CG2-CD1 3.41Å; V495-I540 VanDerWaalsContact CG2-CD1 3.41Å; L538-I540 PolarHBondContact O-N 3.25Å; I540-A557 WeakPolarHBondContact O-CA 3.47Å; I540-K558 PolarHBondContact N-O 2.96Å; I540-K558 PolarHBondContact O-N 2.88Å; I540-V560 HydrophobicContact CD1-CG2 4.16Å; I540-L573 HydrophobicContact CB-CD1 3.94Å; I540-L573 HydrophobicContact CD1-CD1 3.94Å; I540-L573 HydrophobicContact CG1-CD1 4.3Å; I540-L573 HydrophobicContact CG2-CD1 4.36Å; I540-F575 HydrophobicContact CG2-CE2 4.42Å; I540-F575 HydrophobicContact CG2-CZ 4.16Å; I540-I592 HydrophobicContact CG2-CG2 4.17Å; I540-V594 HydrophobicContact CG1-CG1 4.32Å; I540-V594 HydrophobicContact CG1-CG2 4.37Å
541	C	90.4	Very high	84.5	Confident	6 Å²	6	43.8 Å²	43.8	4%	0.041	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	136.4	176.7	-54.4	0	0	0	0	110.3	F543 Q556 I592 Q593	C541-F543 HydrophobicContact CB-CD2 4.39Å; C541-F543 HydrophobicContact CB-CE2 3.48Å; C541-F543 VanDerWaalsContact CB-CE2 3.48Å; C541-F543 HydrophobicContact CB-CZ 3.63Å; C541-Q556 CarbonylContact C-O 3.6Å; C541-Q556 WeakPolarHBondContact CA-O 3.42Å; C541-I592 WeakPolarHBondContact O-CA 3.47Å; C541-Q593 HydrophobicContact CB-CB 4.42Å; C541-Q593 PolarHBondContact N-O 3.5Å; C541-Q593 PolarHBondContact O-N 2.93Å
542	M	90.5	Very high	83.5	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	125.6	174.8	-174.6	-175.7	-68.2	0	0	110.1	T491 V493 V551 Q556 F575 I577 L590	T491-M542 HydrophobicContact CG2-CE 3.87Å; T491-M542 HydrophobicContact CG2-SD 4.46Å; V493-M542 HydrophobicContact CG2-CE 3.32Å; M542-V551 HydrophobicContact CG-CG2 4.21Å; M542-V551 HydrophobicContact SD-CG2 4.27Å; M542-Q556 PolarHBondContact N-O 2.79Å; M542-F575 HydrophobicContact CB-CD1 3.89Å; M542-F575 HydrophobicContact CB-CE1 4.01Å; M542-F575 HydrophobicContact CB-CG 4.25Å; M542-F575 HydrophobicContact CB-CZ 4.46Å; M542-F575 HydrophobicContact CE-CB 3.89Å; M542-F575 HydrophobicContact CE-CD2 3.66Å; M542-F575 HydrophobicContact CE-CE2 4.31Å; M542-F575 HydrophobicContact CE-CG 3.8Å; M542-F575 HydrophobicContact SD-CB 3.78Å; M542-F575 HydrophobicContact SD-CG 4.05Å; M542-I577 HydrophobicContact SD-CD1 3.78Å; M542-L590 HydrophobicContact CG-CD2 4.18Å; M542-L590 HydrophobicContact SD-CD1 4.08Å; M542-L590 HydrophobicContact SD-CD2 4.13Å
543	F	87.6	Confident	82.1	Confident	64 Å²	64	48.4 Å²	48.4	28%	0.281	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	140.6	177.9	-52.3	-76.9	0	0	0	110.4	C541 R591 Q593	C541-F543 HydrophobicContact CB-CD2 4.39Å; C541-F543 HydrophobicContact CB-CE2 3.48Å; C541-F543 VanDerWaalsContact CB-CE2 3.48Å; C541-F543 HydrophobicContact CB-CZ 3.63Å; F543-R591 HydrophobicContact CB-CB 4.49Å; F543-R591 PolarHBondContact N-O 2.93Å; F543-R591 PolarHBondContact O-N 2.83Å; F543-Q593 HydrophobicContact CD2-CG 4.43Å; F543-Q593 HydrophobicContact CE2-CB 4.45Å; F543-Q593 HydrophobicContact CE2-CG 4.23Å
544	S	85.1	Confident	81	Confident	30 Å²	30	50.4 Å²	50.4	21%	0.21	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	140.5	161.8	178.7	0	0	0	0	109.5	M546 Y549	S544-M546 VanDerWaalsContact C-N 3.33Å; S544-M546 PolarHBondContact OG-N 3.01Å; S544-M546 PolarHBondContact OG-O 2.92Å; S544-Y549 WeakPolarHBondContact CB-O 3.29Å; S544-Y549 PolarHBondContact OG-O 2.91Å; S544-Y549 VanDerWaalsContact OG-O 3.08Å
545	N	78.9	Confident	80	Confident	74 Å²	74	48.8 Å²	48.8	40%	0.396	27%	0.271	S	S	.	.	S	Bend	trans	-93.3	8.2	169.4	-152.6	100.8	0	0	0	112.4	T589 R591	N545-T589 WeakPolarHBondContact CB-O 3.31Å; N545-T589 WeakPolarHBondContact CB-OG1 3.19Å; N545-T589 PolarHBondContact N-O 3.33Å; N545-R591 PolarHBondContact OD1-NH2 3.38Å
546	M	74.9	Confident	79.5	Confident	91 Å²	91	49.9 Å²	49.9	45%	0.448	27%	0.273	S	S	.	.	S	Bend	trans	-124.6	136.4	177.2	-71.8	-64.9	-172.7	0	0	110.5	S544 N548 Y549 F588	S544-M546 VanDerWaalsContact C-N 3.33Å; S544-M546 PolarHBondContact OG-N 3.01Å; S544-M546 PolarHBondContact OG-O 2.92Å; M546-N548 PolarHBondContact O-N 3.43Å; M546-Y549 PolarHBondContact O-N 3.3Å; M546-F588 HydrophobicContact CB-CB 4.1Å; M546-F588 HydrophobicContact CG-CB 3.57Å
547	T	68.3	Low	79.2	Confident	122 Å²	122	51.4 Å²	51.4	75%	0.748	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-27.3	177.8	42.9	0	0	0	0	113.8	Y549 H580	T547-Y549 VanDerWaalsContact C-N 3.28Å; T547-Y549 PolarHBondContact O-N 3.41Å; T547-H580 PolarHBondContact O-CD2 3.29Å
548	N	72	Confident	79.1	Confident	45 Å²	45	51.6 Å²	51.6	24%	0.241	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-13.1	-172.4	-61.5	27.6	0	0	0	112.8	M546 S579 H580	M546-N548 PolarHBondContact O-N 3.43Å; N548-S579 CarbonylContact O-C 3.54Å; N548-S579 VanDerWaalsContact O-CA 3.25Å; N548-S579 WeakPolarHBondContact O-CA 3.24Å; N548-S579 PolarHBondContact O-OG 3.44Å; N548-H580 PolarHBondContact O-N 2.88Å
549	Y	79.5	Confident	78.9	Confident	4 Å²	4	55.4 Å²	55.4	2%	0.016	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	125.9	177.7	-64.4	-82.4	0	0	0	111.5	I485 S544 M546 T547 A578 L585 S586 F588	I485-Y549 HydrophobicContact CG2-CE1 4.02Å; I485-Y549 WeakPolarHBondContact CG2-OH 3.35Å; S544-Y549 WeakPolarHBondContact CB-O 3.29Å; S544-Y549 PolarHBondContact OG-O 2.91Å; S544-Y549 VanDerWaalsContact OG-O 3.08Å; M546-Y549 PolarHBondContact O-N 3.3Å; T547-Y549 VanDerWaalsContact C-N 3.28Å; T547-Y549 PolarHBondContact O-N 3.41Å; Y549-A578 CarbonylContact C-O 3.6Å; Y549-A578 VanDerWaalsContact CA-O 3.27Å; Y549-A578 WeakPolarHBondContact CA-O 3.47Å; Y549-L585 HydrophobicContact CE1-CD2 4.06Å; Y549-L585 WeakPolarHBondContact OH-CA 3.48Å; Y549-L585 VanDerWaalsContact OH-CD2 3.25Å; Y549-L585 WeakPolarHBondContact OH-CD2 3.25Å; Y549-S586 PolarHBondContact OH-N 2.98Å; Y549-S586 PolarHBondContact OH-O 2.93Å; Y549-F588 AromaticContact CD1-CE1 3.93Å; Y549-F588 HydrophobicContact CD1-CE1 3.93Å; Y549-F588 AromaticContact CD1-CZ 3.97Å; Y549-F588 HydrophobicContact CD1-CZ 3.97Å; Y549-F588 HydrophobicContact CD2-CB 4.29Å; Y549-F588 AromaticContact CD2-CD1 3.46Å; Y549-F588 HydrophobicContact CD2-CD1 3.46Å; Y549-F588 VanDerWaalsContact CD2-CD1 3.46Å; Y549-F588 HydrophobicContact CD2-CD2 4.02Å; Y549-F588 AromaticContact CD2-CE1 3.59Å; Y549-F588 HydrophobicContact CD2-CE1 3.59Å; Y549-F588 HydrophobicContact CD2-CE2 4.11Å; Y549-F588 AromaticContact CD2-CG 3.7Å; Y549-F588 HydrophobicContact CD2-CG 3.7Å; Y549-F588 AromaticContact CD2-CZ 3.91Å; Y549-F588 HydrophobicContact CD2-CZ 3.91Å; Y549-F588 AromaticContact CE1-CE1 3.93Å; Y549-F588 HydrophobicContact CE1-CE1 3.93Å; Y549-F588 HydrophobicContact CE1-CZ 4.42Å; Y549-F588 HydrophobicContact CE2-CB 4.45Å; Y549-F588 AromaticContact CE2-CD1 3.35Å; Y549-F588 HydrophobicContact CE2-CD1 3.35Å; Y549-F588 AromaticContact CE2-CE1 3.6Å; Y549-F588 HydrophobicContact CE2-CE1 3.6Å; Y549-F588 AromaticContact CE2-CG 3.98Å; Y549-F588 HydrophobicContact CE2-CG 3.98Å; Y549-F588 HydrophobicContact CE2-CZ 4.37Å; Y549-F588 HydrophobicContact CG-CD1 4.11Å; Y549-F588 HydrophobicContact CG-CD2 4.38Å; Y549-F588 AromaticContact CG-CE1 3.76Å; Y549-F588 HydrophobicContact CG-CE1 3.76Å; Y549-F588 HydrophobicContact CG-CE2 4.01Å; Y549-F588 HydrophobicContact CG-CG 4.42Å; Y549-F588 AromaticContact CG-CZ 3.69Å; Y549-F588 HydrophobicContact CG-CZ 3.69Å; Y549-F588 AromaticContact CZ-CD1 3.93Å; Y549-F588 AromaticContact CZ-CE1 3.77Å
550	E	79.1	Confident	78.8	Confident	77 Å²	77	52.5 Å²	52.5	36%	0.36	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	136.1	173.9	179.5	179.3	178.9	0	0	111.5	A553 I577 A578 H580	E550-A553 PolarHBondContact OE1-N 2.84Å; E550-I577 WeakPolarHBondContact O-CA 3.35Å; E550-A578 PolarHBondContact N-O 3.33Å; E550-A578 PolarHBondContact O-N 3.42Å; E550-H580 WeakPolarHBondContact CB-NE2 3.26Å; E550-H580 IonicContact OE2-CE1 2.76Å; E550-H580 IonicContact OE2-NE2 3.78Å
551	V	79.3	Confident	78.6	Confident	3 Å²	3	58 Å²	58	2%	0.018	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	116.7	155.1	-177.8	0	0	0	0	105.9	M542 A553 Q556 F575 I577	M542-V551 HydrophobicContact CG-CG2 4.21Å; M542-V551 HydrophobicContact SD-CG2 4.27Å; V551-A553 PolarHBondContact O-N 3.43Å; V551-Q556 HydrophobicContact CB-CG 4.08Å; V551-Q556 HydrophobicContact CG1-CG 3.99Å; V551-Q556 WeakPolarHBondContact O-CG 3.33Å; V551-Q556 PolarHBondContact O-NE2 3.15Å; V551-F575 HydrophobicContact CG1-CD1 4.38Å; V551-I577 HydrophobicContact CG2-CD1 4.18Å; V551-I577 HydrophobicContact CG2-CG1 4.11Å; V551-I577 HydrophobicContact CG2-CG2 4.26Å
552	K	69.3	Low	78.3	Confident	117 Å²	117	58.1 Å²	58.1	51%	0.509	32%	0.316	S	S	.	.			trans	-48	128	-171.6	-69.5	-177.6	179.1	178.1	0	111.3	S554 E555 Q556	K552-S554 PolarHBondContact O-N 3.32Å; K552-E555 WeakPolarHBondContact O-CA 3.38Å; K552-E555 PolarHBondContact O-N 3.11Å; K552-Q556 PolarHBondContact O-N 2.93Å
553	A	58.3	Low	78	Confident	72 Å²	72	64.2 Å²	64.2	60%	0.595	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-48.9	-37.6	-175.4	0	0	0	0	0	115.1	E550 V551 E555	E550-A553 PolarHBondContact OE1-N 2.84Å; V551-A553 PolarHBondContact O-N 3.43Å; A553-E555 PolarHBondContact O-N 3.47Å
554	S	58.1	Low	77.8	Confident	112 Å²	112	64 Å²	64	78%	0.783	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-69.4	-13.5	177	53.2	0	0	0	0	115.2	K552	K552-S554 PolarHBondContact O-N 3.32Å
555	E	66.5	Low	77.8	Confident	53 Å²	53	63.2 Å²	63.2	25%	0.248	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-122.4	0.2	-176.1	-67.3	-167.7	-110.9	0	0	113.7	K552 A553 A557 K558 F575 P576	K552-E555 WeakPolarHBondContact O-CA 3.38Å; K552-E555 PolarHBondContact O-N 3.11Å; A553-E555 PolarHBondContact O-N 3.47Å; E555-A557 PolarHBondContact O-N 3.1Å; E555-K558 WeakPolarHBondContact O-CE 3.3Å; E555-K558 IonicContact OE2-NZ 2.83Å; E555-K558 PolarHBondContact OE2-NZ 3.15Å; E555-F575 WeakPolarHBondContact O-CD1 3.21Å; E555-F575 WeakPolarHBondContact O-CE1 3.36Å; E555-P576 VanDerWaalsContact CD-CG 3.5Å; E555-P576 VanDerWaalsContact OE1-CG 3.27Å; E555-P576 WeakPolarHBondContact OE1-CG 3.45Å; E555-P576 VanDerWaalsContact OE2-CD 3.24Å; E555-P576 WeakPolarHBondContact OE2-CD 3.17Å; E555-P576 WeakPolarHBondContact OE2-CG 3.34Å
556	Q	75.6	Confident	78	Confident	56 Å²	56	62.5 Å²	62.5	26%	0.262	33%	0.329	S	S	.	.	S	Bend	trans	-58.9	-27.2	-178.4	-78	178.6	10	0	0	113.9	C541 M542 V551 K552	C541-Q556 CarbonylContact C-O 3.6Å; C541-Q556 WeakPolarHBondContact CA-O 3.42Å; M542-Q556 PolarHBondContact N-O 2.79Å; V551-Q556 HydrophobicContact CB-CG 4.08Å; V551-Q556 HydrophobicContact CG1-CG 3.99Å; V551-Q556 WeakPolarHBondContact O-CG 3.33Å; V551-Q556 PolarHBondContact O-NE2 3.15Å; K552-Q556 PolarHBondContact O-N 2.93Å
557	A	83.4	Confident	78.4	Confident	45 Å²	45	61.1 Å²	61.1	37%	0.372	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	128.5	179.4	0	0	0	0	0	111.3	K539 I540 E555	K539-A557 HydrophobicContact CG-CB 4.31Å; I540-A557 WeakPolarHBondContact O-CA 3.47Å; E555-A557 PolarHBondContact O-N 3.1Å
558	K	88	Confident	78.8	Confident	50 Å²	50	55.6 Å²	55.6	22%	0.217	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	141.5	175.6	-60.9	-170.3	-179	-169.1	0	110.4	I540 E555 L573 I574 F575	I540-K558 PolarHBondContact N-O 2.96Å; I540-K558 PolarHBondContact O-N 2.88Å; E555-K558 WeakPolarHBondContact O-CE 3.3Å; E555-K558 IonicContact OE2-NZ 2.83Å; E555-K558 PolarHBondContact OE2-NZ 3.15Å; K558-L573 HydrophobicContact CB-CD1 4.08Å; K558-L573 HydrophobicContact CB-CD2 4.23Å; K558-I574 WeakPolarHBondContact CD-O 3.4Å; K558-I574 WeakPolarHBondContact CE-O 3.11Å; K558-I574 PolarHBondContact NZ-O 3.48Å; K558-F575 HydrophobicContact CB-CE1 4.22Å; K558-F575 HydrophobicContact CB-CZ 3.87Å; K558-F575 HydrophobicContact CD-CD1 4.41Å; K558-F575 HydrophobicContact CD-CE1 4.13Å; K558-F575 HydrophobicContact CD-CZ 4.27Å; K558-F575 HydrophobicContact CG-CE1 3.86Å; K558-F575 HydrophobicContact CG-CZ 4Å
559	I	88.4	Confident	79.3	Confident	81 Å²	81	59.5 Å²	59.5	42%	0.415	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	126.7	-168.9	-57.9	173.7	0	0	0	110.2	D537 L538	D537-I559 HydrophobicContact CB-CG2 4.28Å; L538-I559 CarbonylContact O-C 3.48Å; L538-I559 WeakPolarHBondContact O-CA 3.4Å
560	V	89.1	Confident	79.6	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	128.2	158.7	-178.4	0	0	0	0	107.6	V495 D537 L538 I540 Q564 M565 S571 L573	V495-V560 HydrophobicContact CG2-CG2 4.01Å; D537-V560 WeakPolarHBondContact CA-O 3.46Å; L538-V560 HydrophobicContact CB-CB 4.42Å; L538-V560 PolarHBondContact N-O 3.22Å; L538-V560 PolarHBondContact O-N 2.61Å; I540-V560 HydrophobicContact CD1-CG2 4.16Å; V560-Q564 HydrophobicContact CG1-CB 4.35Å; V560-M565 HydrophobicContact CG1-CG 3.8Å; V560-M565 HydrophobicContact CG1-SD 4.43Å; V560-S571 WeakPolarHBondContact CG1-OG 3.4Å; V560-L573 HydrophobicContact CG2-CD1 3.87Å; V560-L573 HydrophobicContact CG2-CD2 4.42Å; V560-L573 HydrophobicContact CG2-CG 4.29Å
561	R	88.5	Confident	80	Confident	117 Å²	117	56.4 Å²	56.4	44%	0.442	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-82.4	142.7	-179.7	-61.6	-63.3	-169.8	171.5	4.6	111	D537 F563 Q564 M565	D537-R561 VanDerWaalsContact OD1-CA 3.26Å; D537-R561 WeakPolarHBondContact OD1-CA 3.42Å; D537-R561 WeakPolarHBondContact OD2-CD 3.36Å; D537-R561 IonicContact OD2-CZ 3.67Å; D537-R561 IonicContact OD2-NE 2.72Å; D537-R561 IonicContact OD2-NH1 2.63Å; D537-R561 PolarHBondContact OD2-NH1 3.08Å; R561-F563 HydrophobicContact CB-CD1 3.52Å; R561-F563 HydrophobicContact CB-CE1 3.46Å; R561-F563 VanDerWaalsContact CB-CE1 3.46Å; R561-F563 HydrophobicContact CB-CG 4.5Å; R561-F563 HydrophobicContact CB-CZ 4.4Å; R561-F563 HydrophobicContact CG-CD1 4.36Å; R561-F563 HydrophobicContact CG-CE1 3.88Å; R561-F563 PolarHBondContact O-N 2.91Å; R561-F563 VanDerWaalsContact O-N 3.13Å; R561-Q564 HydrophobicContact CB-CG 4.22Å; R561-Q564 VanDerWaalsContact O-CB 3.32Å; R561-Q564 WeakPolarHBondContact O-CB 3.37Å; R561-Q564 PolarHBondContact O-N 2.68Å; R561-M565 PolarHBondContact O-N 2.62Å
562	G	85.1	Confident	80.4	Confident	8 Å²	8	60.4 Å²	60.4	8%	0.082	31%	0.308	C	S	.	.	H	α-helix	trans	-56.6	-32.7	-178.2	0	0	0	0	0	113.5	Q536 D537 Q564 M565 K566	Q536-G562 VanDerWaalsContact C-CA 3.46Å; Q536-G562 VanDerWaalsContact O-CA 3.3Å; Q536-G562 WeakPolarHBondContact O-CA 3.36Å; D537-G562 PolarHBondContact OD1-N 3.4Å; G562-Q564 VanDerWaalsContact C-N 3.34Å; G562-Q564 PolarHBondContact O-N 2.79Å; G562-M565 PolarHBondContact O-N 2.78Å; G562-K566 PolarHBondContact O-N 3.23Å
563	F	83.1	Confident	81.3	Confident	127 Å²	127	56 Å²	56	56%	0.557	29%	0.29	S	S	*	.	H	α-helix	trans	-65.4	-34.2	174.4	81.1	-97.4	0	0	0	113	R561 M565 K566 L567	R561-F563 HydrophobicContact CB-CD1 3.52Å; R561-F563 HydrophobicContact CB-CE1 3.46Å; R561-F563 VanDerWaalsContact CB-CE1 3.46Å; R561-F563 HydrophobicContact CB-CG 4.5Å; R561-F563 HydrophobicContact CB-CZ 4.4Å; R561-F563 HydrophobicContact CG-CD1 4.36Å; R561-F563 HydrophobicContact CG-CE1 3.88Å; R561-F563 PolarHBondContact O-N 2.91Å; R561-F563 VanDerWaalsContact O-N 3.13Å; F563-M565 VanDerWaalsContact C-N 3.3Å; F563-M565 PolarHBondContact O-N 3.45Å; F563-K566 PolarHBondContact O-N 3.29Å; F563-L567 HydrophobicContact CD2-CD1 4.19Å; F563-L567 WeakPolarHBondContact O-CB 3.49Å; F563-L567 VanDerWaalsContact O-CG 3.31Å; F563-L567 WeakPolarHBondContact O-CG 3.29Å; F563-L567 PolarHBondContact O-N 2.83Å
564	Q	84	Confident	82.6	Confident	59 Å²	59	54.9 Å²	54.9	28%	0.276	27%	0.273	S	S	.	.	H	α-helix	trans	-66.5	-37	176.9	-60.6	172	-40.5	0	0	110.5	V560 R561 G562 G568 K569	V560-Q564 HydrophobicContact CG1-CB 4.35Å; R561-Q564 HydrophobicContact CB-CG 4.22Å; R561-Q564 VanDerWaalsContact O-CB 3.32Å; R561-Q564 WeakPolarHBondContact O-CB 3.37Å; R561-Q564 PolarHBondContact O-N 2.68Å; G562-Q564 VanDerWaalsContact C-N 3.34Å; G562-Q564 PolarHBondContact O-N 2.79Å; Q564-G568 PolarHBondContact O-N 3.31Å; Q564-K569 PolarHBondContact O-N 3.39Å
565	M	84	Confident	83.9	Confident	14 Å²	14	49.6 Å²	49.6	7%	0.069	24%	0.236	C	C	.	.	H	α-helix	trans	-70.6	-40.7	173.6	-56.1	-164.2	73.8	0	0	112.5	I475 V495 L532 L538 V560 R561 G562 F563 L567 G568	I475-M565 HydrophobicContact CB-CE 4.42Å; I475-M565 HydrophobicContact CD1-CE 3.93Å; I475-M565 HydrophobicContact CG1-CE 3.79Å; I475-M565 HydrophobicContact CG2-CE 3.85Å; V495-M565 HydrophobicContact CG1-CE 4.28Å; L532-M565 HydrophobicContact CD1-CE 3.89Å; L538-M565 HydrophobicContact CD1-CE 3.66Å; L538-M565 HydrophobicContact CD1-SD 3.4Å; L538-M565 WeakPolarHBondContact CD1-SD 3.4Å; L538-M565 HydrophobicContact CG-SD 3.68Å; V560-M565 HydrophobicContact CG1-CG 3.8Å; V560-M565 HydrophobicContact CG1-SD 4.43Å; R561-M565 PolarHBondContact O-N 2.62Å; G562-M565 PolarHBondContact O-N 2.78Å; F563-M565 VanDerWaalsContact C-N 3.3Å; F563-M565 PolarHBondContact O-N 3.45Å; M565-L567 VanDerWaalsContact C-N 3.3Å; M565-L567 PolarHBondContact O-N 3.29Å; M565-G568 PolarHBondContact O-N 3.47Å
566	K	84.4	Confident	84.7	Confident	60 Å²	60	48 Å²	48	26%	0.261	23%	0.23	S	C	.	.	H	α-helix	trans	-57.8	-43.9	174.3	-176.7	177	169.8	178.7	0	110.8	N368 D370 P535 G562 F563 G568	N368-K566 VanDerWaalsContact CB-O 3.31Å; N368-K566 WeakPolarHBondContact CB-O 3.32Å; N368-K566 PolarHBondContact OD1-O 3.01Å; D370-K566 WeakPolarHBondContact OD1-CE 3.28Å; D370-K566 IonicContact OD1-NZ 3.77Å; D370-K566 PolarHBondContact OD1-NZ 3.22Å; D370-K566 IonicContact OD2-NZ 2.91Å; D370-K566 PolarHBondContact OD2-NZ 3.3Å; P535-K566 HydrophobicContact CB-CB 4.11Å; P535-K566 HydrophobicContact CG-CB 4.44Å; G562-K566 PolarHBondContact O-N 3.23Å; F563-K566 PolarHBondContact O-N 3.29Å; K566-G568 PolarHBondContact O-N 2.82Å
567	L	82.9	Confident	85.1	Confident	61 Å²	61	45.4 Å²	45.4	32%	0.319	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-1.4	175.6	-66.2	175.6	0	0	0	114.8	L365 N368 F563 M565 K569	L365-L567 HydrophobicContact CD2-CD1 4.47Å; L365-L567 HydrophobicContact CD2-CD2 4.27Å; N368-L567 PolarHBondContact ND2-O 3.36Å; F563-L567 HydrophobicContact CD2-CD1 4.19Å; F563-L567 WeakPolarHBondContact O-CB 3.49Å; F563-L567 VanDerWaalsContact O-CG 3.31Å; F563-L567 WeakPolarHBondContact O-CG 3.29Å; F563-L567 PolarHBondContact O-N 2.83Å; M565-L567 VanDerWaalsContact C-N 3.3Å; M565-L567 PolarHBondContact O-N 3.29Å; L567-K569 PolarHBondContact O-N 3.27Å; L567-K569 VanDerWaalsContact O-N 3.15Å
568	G	76.5	Confident	85.1	Confident	7 Å²	7	45 Å²	45	7%	0.072	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	5.1	179	0	0	0	0	0	116	P363 Q564 M565 K566	P363-G568 WeakPolarHBondContact CD-O 3.44Å; Q564-G568 PolarHBondContact O-N 3.31Å; M565-G568 PolarHBondContact O-N 3.47Å; K566-G568 PolarHBondContact O-N 2.82Å
569	K	82.4	Confident	84.8	Confident	126 Å²	126	43.4 Å²	43.4	55%	0.548	21%	0.21	S	C	.	.			trans	-73.1	138.2	-173.2	-173	174.9	-178.7	172.2	0	112.3	D362 Q564 L567 S571	D362-K569 WeakPolarHBondContact OD1-CG 3.26Å; Q564-K569 PolarHBondContact O-N 3.39Å; L567-K569 PolarHBondContact O-N 3.27Å; L567-K569 VanDerWaalsContact O-N 3.15Å; K569-S571 PolarHBondContact O-N 3.46Å; K569-S571 VanDerWaalsContact O-N 3.11Å
570	V	85.8	Confident	84.2	Confident	3 Å²	3	44.9 Å²	44.9	2%	0.018	22%	0.215	C	C	.	.			trans	-75.6	106.1	-179.6	175.6	0	0	0	0	110.1	L361 D362 A494 V495 F496 R572	L361-V570 HydrophobicContact CB-CG2 4.17Å; L361-V570 WeakPolarHBondContact O-CG2 3.3Å; D362-V570 WeakPolarHBondContact OD1-CB 3.4Å; D362-V570 PolarHBondContact OD1-N 2.78Å; A494-V570 HydrophobicContact CB-CG1 4.24Å; V495-V570 WeakPolarHBondContact O-CA 3.4Å; F496-V570 HydrophobicContact CD1-CB 4.33Å; F496-V570 HydrophobicContact CD1-CG1 3.71Å; F496-V570 HydrophobicContact CD1-CG2 3.56Å; F496-V570 HydrophobicContact CE1-CG1 3.59Å; F496-V570 HydrophobicContact CE1-CG2 4.12Å; F496-V570 HydrophobicContact CG-CG1 4.36Å; F496-V570 HydrophobicContact CG-CG2 4.35Å; F496-V570 HydrophobicContact CZ-CG1 4.15Å; V570-R572 HydrophobicContact CG1-CG 4.18Å; V570-R572 PolarHBondContact O-NH1 3.46Å
571	S	87.2	Confident	83.3	Confident	13 Å²	13	49 Å²	49	9%	0.091	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	120.3	-178.4	-63.2	0	0	0	0	109.8	A494 V495 V560 K569	A494-S571 CarbonylContact C-O 3.5Å; A494-S571 VanDerWaalsContact CA-O 3.32Å; A494-S571 WeakPolarHBondContact CA-O 3.34Å; V495-S571 PolarHBondContact N-O 3.4Å; V495-S571 PolarHBondContact O-N 3.41Å; V560-S571 WeakPolarHBondContact CG1-OG 3.4Å; K569-S571 PolarHBondContact O-N 3.46Å; K569-S571 VanDerWaalsContact O-N 3.11Å
572	R	87.4	Confident	82.2	Confident	87 Å²	87	45.6 Å²	45.6	33%	0.328	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	105.1	-171.2	-62.7	160.5	174.4	93.2	-15.2	109.1	D362 V492 A494 V570	D362-R572 IonicContact OD1-NH1 2.81Å; D362-R572 PolarHBondContact OD1-NH1 3.28Å; D362-R572 IonicContact OD2-CZ 3.23Å; D362-R572 VanDerWaalsContact OD2-CZ 3.3Å; D362-R572 IonicContact OD2-NH1 2.81Å; D362-R572 PolarHBondContact OD2-NH1 2.98Å; D362-R572 IonicContact OD2-NH2 2.72Å; D362-R572 PolarHBondContact OD2-NH2 3.01Å; V492-R572 HydrophobicContact CG1-CB 4.25Å; A494-R572 HydrophobicContact CB-CG 4.35Å; V570-R572 HydrophobicContact CG1-CG 4.18Å; V570-R572 PolarHBondContact O-NH1 3.46Å
573	L	87.9	Confident	81.1	Confident	24 Å²	24	51.4 Å²	51.4	13%	0.126	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	116.1	-174.7	-58.7	179.7	0	0	0	111	V492 V493 I540 K558 V560 F575	V492-L573 CarbonylContact C-O 3.57Å; V492-L573 VanDerWaalsContact CA-O 3.3Å; V492-L573 WeakPolarHBondContact CA-O 3.41Å; V493-L573 PolarHBondContact N-O 3.25Å; V493-L573 PolarHBondContact O-N 3.04Å; I540-L573 HydrophobicContact CB-CD1 3.94Å; I540-L573 HydrophobicContact CD1-CD1 3.94Å; I540-L573 HydrophobicContact CG1-CD1 4.3Å; I540-L573 HydrophobicContact CG2-CD1 4.36Å; K558-L573 HydrophobicContact CB-CD1 4.08Å; K558-L573 HydrophobicContact CB-CD2 4.23Å; V560-L573 HydrophobicContact CG2-CD1 3.87Å; V560-L573 HydrophobicContact CG2-CD2 4.42Å; V560-L573 HydrophobicContact CG2-CG 4.29Å; L573-F575 HydrophobicContact CB-CD2 4.33Å; L573-F575 HydrophobicContact CB-CE2 3.66Å; L573-F575 HydrophobicContact CB-CZ 4.4Å; L573-F575 HydrophobicContact CD1-CE2 4.35Å; L573-F575 HydrophobicContact CD1-CZ 4.5Å; L573-F575 WeakPolarHBondContact O-CD2 3.22Å
574	I	86.1	Confident	80.4	Confident	50 Å²	50	51.4 Å²	51.4	26%	0.256	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	130.2	177.8	-51.5	171.9	0	0	0	109.9	K490 T491 V492 K558	K490-I574 HydrophobicContact CB-CG2 3.94Å; K490-I574 HydrophobicContact CD-CG2 4.39Å; K490-I574 HydrophobicContact CG-CG2 4.39Å; T491-I574 CarbonylContact O-C 3.47Å; T491-I574 WeakPolarHBondContact O-CA 3.34Å; V492-I574 HydrophobicContact CG2-CB 4.47Å; V492-I574 HydrophobicContact CG2-CG1 4.02Å; K558-I574 WeakPolarHBondContact CD-O 3.4Å; K558-I574 WeakPolarHBondContact CE-O 3.11Å; K558-I574 PolarHBondContact NZ-O 3.48Å
575	F	85	Confident	79.8	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	114.7	174.5	-69.3	-91.8	0	0	0	110	T491 V493 I540 M542 V551 E555 K558 L573	T491-F575 PolarHBondContact N-O 2.99Å; T491-F575 PolarHBondContact O-N 3.41Å; V493-F575 HydrophobicContact CB-CD2 4.43Å; V493-F575 HydrophobicContact CB-CE2 4.04Å; V493-F575 HydrophobicContact CG2-CD2 3.84Å; V493-F575 HydrophobicContact CG2-CE2 3.72Å; I540-F575 HydrophobicContact CG2-CE2 4.42Å; I540-F575 HydrophobicContact CG2-CZ 4.16Å; M542-F575 HydrophobicContact CB-CD1 3.89Å; M542-F575 HydrophobicContact CB-CE1 4.01Å; M542-F575 HydrophobicContact CB-CG 4.25Å; M542-F575 HydrophobicContact CB-CZ 4.46Å; M542-F575 HydrophobicContact CE-CB 3.89Å; M542-F575 HydrophobicContact CE-CD2 3.66Å; M542-F575 HydrophobicContact CE-CE2 4.31Å; M542-F575 HydrophobicContact CE-CG 3.8Å; M542-F575 HydrophobicContact SD-CB 3.78Å; M542-F575 HydrophobicContact SD-CG 4.05Å; V551-F575 HydrophobicContact CG1-CD1 4.38Å; E555-F575 WeakPolarHBondContact O-CD1 3.21Å; E555-F575 WeakPolarHBondContact O-CE1 3.36Å; K558-F575 HydrophobicContact CB-CE1 4.22Å; K558-F575 HydrophobicContact CB-CZ 3.87Å; K558-F575 HydrophobicContact CD-CD1 4.41Å; K558-F575 HydrophobicContact CD-CE1 4.13Å; K558-F575 HydrophobicContact CD-CZ 4.27Å; K558-F575 HydrophobicContact CG-CE1 3.86Å; K558-F575 HydrophobicContact CG-CZ 4Å; L573-F575 HydrophobicContact CB-CD2 4.33Å; L573-F575 HydrophobicContact CB-CE2 3.66Å; L573-F575 HydrophobicContact CB-CZ 4.4Å; L573-F575 HydrophobicContact CD1-CE2 4.35Å; L573-F575 HydrophobicContact CD1-CZ 4.5Å; L573-F575 WeakPolarHBondContact O-CD2 3.22Å
576	P	83.8	Confident	79.4	Confident	19 Å²	19	52 Å²	52	12%	0.123	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	138.4	172.4	30.4	-30.7	0	0	0	110.8	K490 E555	K490-P576 HydrophobicContact CG-CB 4.29Å; E555-P576 VanDerWaalsContact CD-CG 3.5Å; E555-P576 VanDerWaalsContact OE1-CG 3.27Å; E555-P576 WeakPolarHBondContact OE1-CG 3.45Å; E555-P576 VanDerWaalsContact OE2-CD 3.24Å; E555-P576 WeakPolarHBondContact OE2-CD 3.17Å; E555-P576 WeakPolarHBondContact OE2-CG 3.34Å
577	I	84.9	Confident	79.1	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	132.8	179.9	-41.5	-164.9	0	0	0	108.1	S488 F489 T491 M542 E550 V551 F588 L590	S488-I577 CarbonylContact C-O 3.51Å; S488-I577 WeakPolarHBondContact CA-O 3.19Å; F489-I577 HydrophobicContact CE1-CB 4.4Å; F489-I577 HydrophobicContact CE2-CB 4.08Å; F489-I577 HydrophobicContact CE2-CD1 3.91Å; F489-I577 HydrophobicContact CE2-CG1 4.15Å; F489-I577 HydrophobicContact CZ-CB 4.03Å; F489-I577 HydrophobicContact CZ-CD1 4.24Å; F489-I577 HydrophobicContact CZ-CG1 4.5Å; F489-I577 HydrophobicContact CZ-CG2 4.25Å; F489-I577 PolarHBondContact N-O 3.48Å; F489-I577 PolarHBondContact O-N 2.68Å; T491-I577 VanDerWaalsContact OG1-CD1 3.24Å; T491-I577 WeakPolarHBondContact OG1-CD1 3.37Å; M542-I577 HydrophobicContact SD-CD1 3.78Å; E550-I577 WeakPolarHBondContact O-CA 3.35Å; V551-I577 HydrophobicContact CG2-CD1 4.18Å; V551-I577 HydrophobicContact CG2-CG1 4.11Å; V551-I577 HydrophobicContact CG2-CG2 4.26Å; I577-F588 HydrophobicContact CG2-CZ 4.27Å; I577-L590 HydrophobicContact CD1-CD1 3.8Å; I577-L590 HydrophobicContact CD1-CD2 3.78Å; I577-L590 HydrophobicContact CD1-CG 4.44Å
578	A	82	Confident	79.2	Confident	37 Å²	37	48.7 Å²	48.7	31%	0.306	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	150.8	177.2	0	0	0	0	0	110.8	P487 Y549 E550	P487-A578 CarbonylContact O-C 3.52Å; P487-A578 WeakPolarHBondContact O-CA 3.09Å; Y549-A578 CarbonylContact C-O 3.6Å; Y549-A578 VanDerWaalsContact CA-O 3.27Å; Y549-A578 WeakPolarHBondContact CA-O 3.47Å; E550-A578 PolarHBondContact N-O 3.33Å; E550-A578 PolarHBondContact O-N 3.42Å
579	S	81.4	Confident	79.7	Confident	16 Å²	16	50.5 Å²	50.5	11%	0.112	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	138.6	167.4	-161.3	0	0	0	0	108.9	P487 N548 D581	P487-S579 PolarHBondContact O-N 3.07Å; N548-S579 CarbonylContact O-C 3.54Å; N548-S579 VanDerWaalsContact O-CA 3.25Å; N548-S579 WeakPolarHBondContact O-CA 3.24Å; N548-S579 PolarHBondContact O-OG 3.44Å; S579-D581 VanDerWaalsContact C-N 3.33Å; S579-D581 WeakPolarHBondContact CB-O 3.42Å; S579-D581 PolarHBondContact OG-O 2.92Å
580	H	75.9	Confident	80.1	Confident	113 Å²	113	44.5 Å²	44.5	52%	0.523	24%	0.239	S	C	.	.	S	Bend	trans	-67.4	-40	168.3	-65.4	-76.7	0	0	0	110.4	T547 N548 E550	T547-H580 PolarHBondContact O-CD2 3.29Å; N548-H580 PolarHBondContact O-N 2.88Å; E550-H580 WeakPolarHBondContact CB-NE2 3.26Å; E550-H580 IonicContact OE2-CE1 2.76Å; E550-H580 IonicContact OE2-NE2 3.78Å
581	D	71.7	Confident	80.3	Confident	85 Å²	85	48.9 Å²	48.9	46%	0.455	26%	0.255	S	S	.	.			trans	-112.8	118.6	177.8	-78.9	-69.6	0	0	0	111.6	S579 N583	S579-D581 VanDerWaalsContact C-N 3.33Å; S579-D581 WeakPolarHBondContact CB-O 3.42Å; S579-D581 PolarHBondContact OG-O 2.92Å; D581-N583 VanDerWaalsContact C-N 3.27Å; D581-N583 PolarHBondContact O-N 3.18Å
582	P	64.9	Low	80.7	Confident	47 Å²	47	48.2 Å²	48.2	31%	0.305	25%	0.251	S	S	.	.	S	Bend	trans	-76.4	-12.3	-179.4	30.2	-35.2	0	0	0	113.9	L270 P487	L270-P582 HydrophobicContact CD2-CB 4.31Å; P487-P582 HydrophobicContact CB-CB 3.78Å; P487-P582 HydrophobicContact CG-CB 3.65Å
583	N	61.3	Low	80.9	Confident	129 Å²	129	45.3 Å²	45.3	69%	0.69	24%	0.24	S	C	*	.	S	Bend	trans	-91.8	-24.3	-173.9	-64.6	-30.7	0	0	0	113.7	D581 K615	D581-N583 VanDerWaalsContact C-N 3.27Å; D581-N583 PolarHBondContact O-N 3.18Å; N583-K615 PolarHBondContact O-NZ 3.17Å
584	E	67.7	Low	81.2	Confident	127 Å²	127	44.1 Å²	44.1	59%	0.593	23%	0.234	S	C	*	.			trans	-106.4	51.2	-175.3	-61.8	-152	150.6	0	0	113	S586	E584-S586 PolarHBondContact O-N 2.76Å
585	L	72.2	Confident	81.5	Confident	40 Å²	40	43.4 Å²	43.4	21%	0.209	23%	0.229	C	C	.	.			trans	-69.4	119.4	176.4	-61.2	175	0	0	0	111.6	I485 P487 Y549 P612	I485-L585 HydrophobicContact CG2-CD2 4.42Å; P487-L585 HydrophobicContact CB-CD2 4.43Å; P487-L585 HydrophobicContact CG-CD1 4.03Å; P487-L585 HydrophobicContact CG-CD2 3.96Å; P487-L585 HydrophobicContact CG-CG 4.38Å; Y549-L585 HydrophobicContact CE1-CD2 4.06Å; Y549-L585 WeakPolarHBondContact OH-CA 3.48Å; Y549-L585 VanDerWaalsContact OH-CD2 3.25Å; Y549-L585 WeakPolarHBondContact OH-CD2 3.25Å; L585-P612 HydrophobicContact CB-CB 4.25Å
586	S	74.9	Confident	81.7	Confident	45 Å²	45	44.6 Å²	44.6	32%	0.315	24%	0.236	S	C	.	.			trans	-127.2	161	178.5	47.8	0	0	0	0	110.2	I485 Y549 E584	I485-S586 WeakPolarHBondContact CD1-O 3.36Å; Y549-S586 PolarHBondContact OH-N 2.98Å; Y549-S586 PolarHBondContact OH-O 2.93Å; E584-S586 PolarHBondContact O-N 2.76Å
587	D	79.5	Confident	81.7	Confident	48 Å²	48	47.5 Å²	47.5	26%	0.257	25%	0.25	S	S	.	.			trans	-76.9	144.7	163.5	55.3	-54.1	0	0	0	111.2	I485 Q608 Q611	I485-D587 HydrophobicContact CD1-CB 4.23Å; D587-Q608 PolarHBondContact OD2-NE2 3.33Å; D587-Q611 HydrophobicContact CB-CG 4.41Å
588	F	85	Confident	81.8	Confident	4 Å²	4	55.3 Å²	55.3	2%	0.018	28%	0.284	C	S	.	.			trans	-144.4	163	-172.3	66	-77.3	0	0	0	110.9	I485 F489 M546 Y549 I577 L590 T609	I485-F588 HydrophobicContact CD1-CD1 4.19Å; I485-F588 HydrophobicContact CD1-CE1 4.22Å; I485-F588 HydrophobicContact CG2-CE1 4.3Å; F489-F588 HydrophobicContact CZ-CE1 4.34Å; F489-F588 HydrophobicContact CZ-CZ 4.04Å; M546-F588 HydrophobicContact CB-CB 4.1Å; M546-F588 HydrophobicContact CG-CB 3.57Å; Y549-F588 AromaticContact CD1-CE1 3.93Å; Y549-F588 HydrophobicContact CD1-CE1 3.93Å; Y549-F588 AromaticContact CD1-CZ 3.97Å; Y549-F588 HydrophobicContact CD1-CZ 3.97Å; Y549-F588 HydrophobicContact CD2-CB 4.29Å; Y549-F588 AromaticContact CD2-CD1 3.46Å; Y549-F588 HydrophobicContact CD2-CD1 3.46Å; Y549-F588 VanDerWaalsContact CD2-CD1 3.46Å; Y549-F588 HydrophobicContact CD2-CD2 4.02Å; Y549-F588 AromaticContact CD2-CE1 3.59Å; Y549-F588 HydrophobicContact CD2-CE1 3.59Å; Y549-F588 HydrophobicContact CD2-CE2 4.11Å; Y549-F588 AromaticContact CD2-CG 3.7Å; Y549-F588 HydrophobicContact CD2-CG 3.7Å; Y549-F588 AromaticContact CD2-CZ 3.91Å; Y549-F588 HydrophobicContact CD2-CZ 3.91Å; Y549-F588 AromaticContact CE1-CE1 3.93Å; Y549-F588 HydrophobicContact CE1-CE1 3.93Å; Y549-F588 HydrophobicContact CE1-CZ 4.42Å; Y549-F588 HydrophobicContact CE2-CB 4.45Å; Y549-F588 AromaticContact CE2-CD1 3.35Å; Y549-F588 HydrophobicContact CE2-CD1 3.35Å; Y549-F588 AromaticContact CE2-CE1 3.6Å; Y549-F588 HydrophobicContact CE2-CE1 3.6Å; Y549-F588 AromaticContact CE2-CG 3.98Å; Y549-F588 HydrophobicContact CE2-CG 3.98Å; Y549-F588 HydrophobicContact CE2-CZ 4.37Å; Y549-F588 HydrophobicContact CG-CD1 4.11Å; Y549-F588 HydrophobicContact CG-CD2 4.38Å; Y549-F588 AromaticContact CG-CE1 3.76Å; Y549-F588 HydrophobicContact CG-CE1 3.76Å; Y549-F588 HydrophobicContact CG-CE2 4.01Å; Y549-F588 HydrophobicContact CG-CG 4.42Å; Y549-F588 AromaticContact CG-CZ 3.69Å; Y549-F588 HydrophobicContact CG-CZ 3.69Å; Y549-F588 AromaticContact CZ-CD1 3.93Å; Y549-F588 AromaticContact CZ-CE1 3.77Å; I577-F588 HydrophobicContact CG2-CZ 4.27Å; F588-L590 HydrophobicContact CD2-CD2 4.33Å; F588-L590 HydrophobicContact CD2-CG 4.49Å; F588-L590 HydrophobicContact CE2-CD2 3.61Å; F588-L590 HydrophobicContact CE2-CG 3.98Å; F588-L590 HydrophobicContact CZ-CD2 4.42Å; F588-T609 HydrophobicContact CD1-CG2 4.11Å; F588-T609 WeakPolarHBondContact CD1-OG1 3.17Å; F588-T609 HydrophobicContact CD2-CG2 4.43Å; F588-T609 HydrophobicContact CE1-CG2 3.88Å; F588-T609 HydrophobicContact CE2-CG2 4.24Å; F588-T609 HydrophobicContact CG-CG2 4.38Å; F588-T609 HydrophobicContact CZ-CG2 3.96Å; F588-T609 PolarHBondContact N-OG1 2.83Å; F588-T609 PolarHBondContact O-N 3.04Å; F588-T609 PolarHBondContact O-OG1 2.83Å
589	T	87.4	Confident	81.9	Confident	45 Å²	45	57 Å²	57	28%	0.276	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	123.9	175.3	46.7	0	0	0	0	110.4	N545 V607 Q608	N545-T589 WeakPolarHBondContact CB-O 3.31Å; N545-T589 WeakPolarHBondContact CB-OG1 3.19Å; N545-T589 PolarHBondContact N-O 3.33Å; T589-V607 WeakPolarHBondContact CA-O 3.36Å; T589-Q608 HydrophobicContact CG2-CB 4.49Å
590	L	89.7	Confident	82.2	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	125	163.3	-72.2	174.1	0	0	0	108.3	T491 W525 M542 I577 F588 I592 C606 V607 T609	T491-L590 HydrophobicContact CG2-CD1 4.38Å; W525-L590 HydrophobicContact CE3-CD1 4.23Å; W525-L590 HydrophobicContact CZ3-CD1 3.78Å; M542-L590 HydrophobicContact CG-CD2 4.18Å; M542-L590 HydrophobicContact SD-CD1 4.08Å; M542-L590 HydrophobicContact SD-CD2 4.13Å; I577-L590 HydrophobicContact CD1-CD1 3.8Å; I577-L590 HydrophobicContact CD1-CD2 3.78Å; I577-L590 HydrophobicContact CD1-CG 4.44Å; F588-L590 HydrophobicContact CD2-CD2 4.33Å; F588-L590 HydrophobicContact CD2-CG 4.49Å; F588-L590 HydrophobicContact CE2-CD2 3.61Å; F588-L590 HydrophobicContact CE2-CG 3.98Å; F588-L590 HydrophobicContact CZ-CD2 4.42Å; L590-I592 HydrophobicContact CB-CD1 3.98Å; L590-C606 CarbonylContact O-C 3.51Å; L590-C606 VanDerWaalsContact O-CA 3.28Å; L590-C606 WeakPolarHBondContact O-CA 3.37Å; L590-V607 PolarHBondContact N-O 2.88Å; L590-V607 PolarHBondContact O-N 3.44Å; L590-T609 HydrophobicContact CD1-CG2 3.97Å; L590-T609 HydrophobicContact CG-CG2 4Å
591	R	90.9	Very high	82.9	Confident	95 Å²	95	57.2 Å²	57.2	36%	0.358	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	117	170.9	-171.2	-170.8	-57.1	-166.4	4	108.4	F543 N545 Q593	F543-R591 HydrophobicContact CB-CB 4.49Å; F543-R591 PolarHBondContact N-O 2.93Å; F543-R591 PolarHBondContact O-N 2.83Å; N545-R591 PolarHBondContact OD1-NH2 3.38Å; R591-Q593 HydrophobicContact CG-CG 4.4Å
592	I	93.9	Very high	83.8	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	126.5	172.7	-64.2	72.6	0	0	0	106.8	V479 I540 C541 L590 V594 Q604 F605 V607	V479-I592 HydrophobicContact CG2-CD1 3.83Å; V479-I592 HydrophobicContact CG2-CG1 3.88Å; I540-I592 HydrophobicContact CG2-CG2 4.17Å; C541-I592 WeakPolarHBondContact O-CA 3.47Å; L590-I592 HydrophobicContact CB-CD1 3.98Å; I592-V594 HydrophobicContact CG2-CG2 4.43Å; I592-Q604 VanDerWaalsContact O-CA 3.29Å; I592-Q604 WeakPolarHBondContact O-CA 3.31Å; I592-F605 HydrophobicContact CB-CD1 4.31Å; I592-F605 HydrophobicContact CB-CE1 3.83Å; I592-F605 HydrophobicContact CB-CE2 4.08Å; I592-F605 HydrophobicContact CB-CZ 3.71Å; I592-F605 HydrophobicContact CD1-CE2 4.24Å; I592-F605 HydrophobicContact CG1-CE2 4.26Å; I592-F605 HydrophobicContact CG1-CZ 4.14Å; I592-F605 HydrophobicContact CG2-CD1 4.49Å; I592-F605 HydrophobicContact CG2-CE1 3.68Å; I592-F605 HydrophobicContact CG2-CZ 3.74Å; I592-F605 PolarHBondContact N-O 3.36Å; I592-F605 PolarHBondContact O-N 3.14Å; I592-V607 HydrophobicContact CD1-CB 4.47Å; I592-V607 HydrophobicContact CD1-CG2 4.19Å
593	Q	93.3	Very high	85.1	Confident	25 Å²	25	55.2 Å²	55.2	12%	0.117	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	127.2	170.3	-63.2	-169.4	-32	0	0	108.9	C541 F543 R591 Q604	C541-Q593 HydrophobicContact CB-CB 4.42Å; C541-Q593 PolarHBondContact N-O 3.5Å; C541-Q593 PolarHBondContact O-N 2.93Å; F543-Q593 HydrophobicContact CD2-CG 4.43Å; F543-Q593 HydrophobicContact CE2-CB 4.45Å; F543-Q593 HydrophobicContact CE2-CG 4.23Å; R591-Q593 HydrophobicContact CG-CG 4.4Å; Q593-Q604 HydrophobicContact CG-CB 3.86Å
594	V	93.6	Very high	86.6	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	119.5	172.7	-173.5	0	0	0	0	107.7	V477 F530 L538 I540 I592 L602 T603	V477-V594 HydrophobicContact CG2-CG2 4.42Å; F530-V594 HydrophobicContact CE1-CG1 4.5Å; F530-V594 HydrophobicContact CE2-CG1 4.39Å; F530-V594 HydrophobicContact CZ-CG1 3.87Å; L538-V594 HydrophobicContact CB-CG1 4.29Å; L538-V594 HydrophobicContact CD1-CG1 4.1Å; L538-V594 HydrophobicContact CD2-CG1 4.27Å; L538-V594 HydrophobicContact CG-CG1 4.48Å; I540-V594 HydrophobicContact CG1-CG1 4.32Å; I540-V594 HydrophobicContact CG1-CG2 4.37Å; I592-V594 HydrophobicContact CG2-CG2 4.43Å; V594-L602 PolarHBondContact O-N 3.45Å; V594-T603 HydrophobicContact CB-CG2 3.87Å; V594-T603 HydrophobicContact CG2-CG2 3.88Å; V594-T603 PolarHBondContact N-O 3.21Å; V594-T603 PolarHBondContact O-N 2.89Å
595	K	92.1	Very high	87.8	Confident	35 Å²	35	49.1 Å²	49.1	15%	0.152	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	155.6	178.8	-71.3	160.9	159.5	-100.2	0	111.8	L538 K539 D599 A600 I601	L538-K595 WeakPolarHBondContact CA-O 3.5Å; K539-K595 HydrophobicContact CB-CB 4.15Å; K539-K595 HydrophobicContact CD-CD 4.38Å; K539-K595 PolarHBondContact N-O 2.56Å; K539-K595 PolarHBondContact O-N 2.68Å; K595-D599 WeakPolarHBondContact CD-OD1 3.31Å; K595-D599 WeakPolarHBondContact CE-OD1 3.16Å; K595-D599 PolarHBondContact NZ-O 3.26Å; K595-D599 IonicContact NZ-OD1 2.82Å; K595-D599 PolarHBondContact NZ-OD1 3.42Å; K595-A600 CarbonylContact C-O 3.59Å; K595-A600 WeakPolarHBondContact CA-O 3.34Å; K595-A600 WeakPolarHBondContact CB-O 3.28Å; K595-I601 HydrophobicContact CG-CG1 4.01Å
596	D	89.6	Confident	88.7	Confident	25 Å²	25	50.8 Å²	50.8	13%	0.134	27%	0.266	C	S	.	.			trans	-82.4	-173.7	172	69.6	3.1	0	0	0	113.5	K598 D599 A600 L602	D596-K598 PolarHBondContact O-N 3.09Å; D596-K598 VanDerWaalsContact OD1-C 3.23Å; D596-K598 VanDerWaalsContact OD1-CA 3.29Å; D596-K598 WeakPolarHBondContact OD1-CA 3.17Å; D596-K598 WeakPolarHBondContact OD1-CB 3.11Å; D596-K598 PolarHBondContact OD1-N 3.15Å; D596-D599 PolarHBondContact O-N 3.03Å; D596-D599 PolarHBondContact OD1-N 3.17Å; D596-D599 VanDerWaalsContact OD1-N 3.1Å; D596-A600 PolarHBondContact N-O 3.06Å; D596-A600 WeakPolarHBondContact OD1-CB 3.49Å; D596-A600 PolarHBondContact OD1-N 3.41Å; D596-L602 HydrophobicContact CB-CD1 4.04Å; D596-L602 HydrophobicContact CB-CD2 4.09Å; D596-L602 HydrophobicContact CB-CG 4.05Å
597	D	84.3	Confident	89.4	Confident	80 Å²	80	49 Å²	49	43%	0.428	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-4.7	174.3	55	-5.4	0	0	0	113.9	R534	R534-D597 IonicContact CZ-OD1 3.64Å; R534-D597 IonicContact CZ-OD2 3.36Å; R534-D597 VanDerWaalsContact CZ-OD2 3.26Å; R534-D597 IonicContact NH1-OD2 3.27Å; R534-D597 PolarHBondContact NH1-OD2 3.37Å; R534-D597 IonicContact NH2-OD1 2.68Å; R534-D597 PolarHBondContact NH2-OD1 2.9Å; R534-D597 IonicContact NH2-OD2 3.56Å; R534-D597 PolarHBondContact NH2-OD2 3.38Å
598	K	85.8	Confident	89.7	Confident	166 Å²	166	52.6 Å²	52.6	72%	0.722	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.6	13.8	176	-59.3	173.9	-175.7	177.2	0	112.1	D596 A600	D596-K598 PolarHBondContact O-N 3.09Å; D596-K598 VanDerWaalsContact OD1-C 3.23Å; D596-K598 VanDerWaalsContact OD1-CA 3.29Å; D596-K598 WeakPolarHBondContact OD1-CA 3.17Å; D596-K598 WeakPolarHBondContact OD1-CB 3.11Å; D596-K598 PolarHBondContact OD1-N 3.15Å; K598-A600 PolarHBondContact O-N 2.85Å; K598-A600 VanDerWaalsContact O-N 3.15Å
599	D	84.4	Confident	89.7	Confident	71 Å²	71	52.5 Å²	52.5	38%	0.38	27%	0.268	S	S	.	.	S	Bend	trans	61.2	10.9	-175.8	-112.9	-76.6	0	0	0	114.8	K539 K595 D596	K539-D599 IonicContact NZ-OD1 2.76Å; K539-D599 PolarHBondContact NZ-OD1 2.86Å; K539-D599 IonicContact NZ-OD2 2.78Å; K539-D599 PolarHBondContact NZ-OD2 2.81Å; K595-D599 WeakPolarHBondContact CD-OD1 3.31Å; K595-D599 WeakPolarHBondContact CE-OD1 3.16Å; K595-D599 PolarHBondContact NZ-O 3.26Å; K595-D599 IonicContact NZ-OD1 2.82Å; K595-D599 PolarHBondContact NZ-OD1 3.42Å; D596-D599 PolarHBondContact O-N 3.03Å; D596-D599 PolarHBondContact OD1-N 3.17Å; D596-D599 VanDerWaalsContact OD1-N 3.1Å
600	A	88.7	Confident	89.3	Confident	51 Å²	51	51.9 Å²	51.9	42%	0.421	27%	0.265	S	S	.	.			trans	-79.7	141.6	176.5	0	0	0	0	0	111	K595 D596 K598 L602	K595-A600 CarbonylContact C-O 3.59Å; K595-A600 WeakPolarHBondContact CA-O 3.34Å; K595-A600 WeakPolarHBondContact CB-O 3.28Å; D596-A600 PolarHBondContact N-O 3.06Å; D596-A600 WeakPolarHBondContact OD1-CB 3.49Å; D596-A600 PolarHBondContact OD1-N 3.41Å; K598-A600 PolarHBondContact O-N 2.85Å; K598-A600 VanDerWaalsContact O-N 3.15Å; A600-L602 PolarHBondContact O-N 3.08Å
601	I	90.1	Very high	88.2	Confident	84 Å²	84	57.9 Å²	57.9	43%	0.431	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	112.8	-174.5	-59.3	169.8	0	0	0	109.8	K595 T603 Q604	K595-I601 HydrophobicContact CG-CG1 4.01Å; I601-T603 WeakPolarHBondContact CG2-O 3.41Å; I601-Q604 HydrophobicContact CG2-CB 4.24Å
602	L	89.9	Confident	86.9	Confident	70 Å²	70	54.5 Å²	54.5	37%	0.366	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-40.1	174.7	-63	172.3	0	0	0	111.8	F530 L532 L538 V594 D596 A600	F530-L602 HydrophobicContact CD2-CB 4.42Å; F530-L602 HydrophobicContact CE2-CB 4.21Å; F530-L602 HydrophobicContact CE2-CD1 4.15Å; L532-L602 HydrophobicContact CD2-CD1 4.18Å; L538-L602 HydrophobicContact CD2-CD1 3.54Å; V594-L602 PolarHBondContact O-N 3.45Å; D596-L602 HydrophobicContact CB-CD1 4.04Å; D596-L602 HydrophobicContact CB-CD2 4.09Å; D596-L602 HydrophobicContact CB-CG 4.05Å; A600-L602 PolarHBondContact O-N 3.08Å
603	T	92.5	Very high	84.9	Confident	19 Å²	19	56 Å²	56	12%	0.117	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	153	171.6	-179.6	0	0	0	0	110.6	H528 F530 V594 I601	H528-T603 PolarHBondContact NE2-OG1 3.27Å; F530-T603 HydrophobicContact CB-CG2 4Å; F530-T603 HydrophobicContact CD1-CG2 3.78Å; F530-T603 HydrophobicContact CD2-CG2 4.02Å; F530-T603 HydrophobicContact CE1-CG2 4.26Å; F530-T603 HydrophobicContact CE2-CG2 4.45Å; F530-T603 HydrophobicContact CG-CG2 3.66Å; V594-T603 HydrophobicContact CB-CG2 3.87Å; V594-T603 HydrophobicContact CG2-CG2 3.88Å; V594-T603 PolarHBondContact N-O 3.21Å; V594-T603 PolarHBondContact O-N 2.89Å; I601-T603 WeakPolarHBondContact CG2-O 3.41Å
604	Q	92.4	Very high	82.7	Confident	107 Å²	107	60.1 Å²	60.1	50%	0.5	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	139.7	166.3	62.4	177.6	-8.1	0	0	110.2	I592 Q593 I601	I592-Q604 VanDerWaalsContact O-CA 3.29Å; I592-Q604 WeakPolarHBondContact O-CA 3.31Å; Q593-Q604 HydrophobicContact CG-CB 3.86Å; I601-Q604 HydrophobicContact CG2-CB 4.24Å
605	F	93.1	Very high	80.5	Confident	22 Å²	22	67.9 Å²	67.9	10%	0.096	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	154.2	178.1	63.1	-82.9	0	0	0	110.7	V477 V479 H528 I592 V607	V477-F605 HydrophobicContact CB-CE1 4.27Å; V477-F605 HydrophobicContact CB-CZ 4.04Å; V477-F605 HydrophobicContact CG1-CE1 4.3Å; V477-F605 HydrophobicContact CG1-CZ 3.83Å; V479-F605 HydrophobicContact CG2-CE2 3.85Å; V479-F605 HydrophobicContact CG2-CZ 4.11Å; H528-F605 HydrophobicContact CB-CB 4.28Å; H528-F605 HydrophobicContact CB-CD1 3.58Å; H528-F605 HydrophobicContact CB-CD2 3.69Å; H528-F605 HydrophobicContact CB-CE1 3.7Å; H528-F605 HydrophobicContact CB-CE2 3.79Å; H528-F605 HydrophobicContact CB-CG 3.58Å; H528-F605 HydrophobicContact CB-CZ 3.8Å; H528-F605 AromaticContact CD2-CD1 3.57Å; H528-F605 AromaticContact CD2-CE1 3.98Å; H528-F605 AromaticContact CG-CD1 3.54Å; H528-F605 AromaticContact CG-CG 3.71Å; I592-F605 HydrophobicContact CB-CD1 4.31Å; I592-F605 HydrophobicContact CB-CE1 3.83Å; I592-F605 HydrophobicContact CB-CE2 4.08Å; I592-F605 HydrophobicContact CB-CZ 3.71Å; I592-F605 HydrophobicContact CD1-CE2 4.24Å; I592-F605 HydrophobicContact CG1-CE2 4.26Å; I592-F605 HydrophobicContact CG1-CZ 4.14Å; I592-F605 HydrophobicContact CG2-CD1 4.49Å; I592-F605 HydrophobicContact CG2-CE1 3.68Å; I592-F605 HydrophobicContact CG2-CZ 3.74Å; I592-F605 PolarHBondContact N-O 3.36Å; I592-F605 PolarHBondContact O-N 3.14Å; F605-V607 HydrophobicContact CD2-CG2 3.79Å; F605-V607 HydrophobicContact CE2-CG2 3.69Å
606	C	90.8	Very high	77.9	Confident	75 Å²	75	71.1 Å²	71.1	51%	0.507	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	140.4	175.3	-70.6	0	0	0	0	110.4	L590	L590-C606 CarbonylContact O-C 3.51Å; L590-C606 VanDerWaalsContact O-CA 3.28Å; L590-C606 WeakPolarHBondContact O-CA 3.37Å
607	V	90.2	Very high	75	Confident	8 Å²	8	73.4 Å²	73.4	5%	0.048	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	124.2	172.2	179.3	0	0	0	0	107.9	V479 W525 T589 L590 I592 F605	V479-V607 HydrophobicContact CB-CG2 4.2Å; V479-V607 HydrophobicContact CG2-CG2 3.96Å; W525-V607 HydrophobicContact CB-CG1 3.54Å; T589-V607 WeakPolarHBondContact CA-O 3.36Å; L590-V607 PolarHBondContact N-O 2.88Å; L590-V607 PolarHBondContact O-N 3.44Å; I592-V607 HydrophobicContact CD1-CB 4.47Å; I592-V607 HydrophobicContact CD1-CG2 4.19Å; F605-V607 HydrophobicContact CD2-CG2 3.79Å; F605-V607 HydrophobicContact CE2-CG2 3.69Å
608	Q	86.8	Confident	73	Confident	122 Å²	122	78.1 Å²	78.1	57%	0.57	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	129.4	172.5	-173.5	175.2	2.3	0	0	109	D587 T589	D587-Q608 PolarHBondContact OD2-NE2 3.33Å; T589-Q608 HydrophobicContact CG2-CB 4.49Å
609	T	83.8	Confident	70.2	Confident	2 Å²	2	79 Å²	79	1%	0.012	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-72.3	147.5	174.9	55.1	0	0	0	0	110.2	I485 W525 F588 L590	I485-T609 WeakPolarHBondContact CD1-OG1 3.48Å; W525-T609 HydrophobicContact CE3-CG2 3.98Å; W525-T609 HydrophobicContact CH2-CG2 3.98Å; W525-T609 HydrophobicContact CZ3-CG2 3.5Å; F588-T609 HydrophobicContact CD1-CG2 4.11Å; F588-T609 WeakPolarHBondContact CD1-OG1 3.17Å; F588-T609 HydrophobicContact CD2-CG2 4.43Å; F588-T609 HydrophobicContact CE1-CG2 3.88Å; F588-T609 HydrophobicContact CE2-CG2 4.24Å; F588-T609 HydrophobicContact CG-CG2 4.38Å; F588-T609 HydrophobicContact CZ-CG2 3.96Å; F588-T609 PolarHBondContact N-OG1 2.83Å; F588-T609 PolarHBondContact O-N 3.04Å; F588-T609 PolarHBondContact O-OG1 2.83Å; L590-T609 HydrophobicContact CD1-CG2 3.97Å; L590-T609 HydrophobicContact CG-CG2 4Å
610	P	78.8	Confident	67.4	Low	33 Å²	33	81.2 Å²	81.2	21%	0.214	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-65.7	139.8	-177.4	28.4	-36	0	0	0	110.1	I485 W525	I485-P610 WeakPolarHBondContact CD1-O 3.47Å; I485-P610 VanDerWaalsContact CG1-O 3.24Å; I485-P610 WeakPolarHBondContact CG1-O 3.35Å; W525-P610 VanDerWaalsContact CZ2-CD 3.44Å; W525-P610 HydrophobicContact CZ2-CG 3.81Å
611	Q	68	Low	64.8	Low	125 Å²	125	84.6 Å²	84.6	58%	0.584	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-50.3	139.8	-172.2	-64.9	-162	-47.2	0	0	113.1	D587	D587-Q611 HydrophobicContact CB-CG 4.41Å
612	P	62.1	Low	61.7	Low	25 Å²	25	84.1 Å²	84.1	16%	0.162	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-54.5	150.6	174.2	26.5	-35.9	0	0	0	109.3	L585 P614	L585-P612 HydrophobicContact CB-CB 4.25Å; P612-P614 VanDerWaalsContact O-N 3.07Å
613	P	53.3	Low	58.9	Low	32 Å²	32	87.9 Å²	87.9	21%	0.208	50%	0.498	C	S	.	.	P	Polyproline II helix	trans	-55.5	122.1	-179	24.8	-32.6	0	0	0	108.4	K615	P613-K615 PolarHBondContact O-N 3.26Å; P613-K615 VanDerWaalsContact O-N 3.14Å
614	P	46.5	Very low	55.7	Low	110 Å²	110	99 Å²	99	71%	0.714	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-63.3	121.2	-163.1	21.7	-33	0	0	0	110.8	P612 S616	P612-P614 VanDerWaalsContact O-N 3.07Å; P614-S616 PolarHBondContact O-N 3.35Å
615	K	47.4	Very low	52.6	Low	164 Å²	164	102.2 Å²	102.2	71%	0.713	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-54.2	133	158.2	-65.1	-179.6	-179.2	176.8	0	106.5	N583 P613 A617	N583-K615 PolarHBondContact O-NZ 3.17Å; P613-K615 PolarHBondContact O-N 3.26Å; P613-K615 VanDerWaalsContact O-N 3.14Å; K615-A617 VanDerWaalsContact O-CB 3.3Å; K615-A617 WeakPolarHBondContact O-CB 3.29Å; K615-A617 PolarHBondContact O-N 3.13Å
616	S	37.4	Very low	49.4	Very low	102 Å²	102	109.7 Å²	109.7	71%	0.713	58%	0.578	S	S	*	*	S	Bend	trans	-49.5	91.2	-158.7	23.9	0	0	0	0	114.3	P614	P614-S616 PolarHBondContact O-N 3.35Å
617	A	27.8	Very low	46.6	Very low	74 Å²	74	111.5 Å²	111.5	61%	0.612	58%	0.583	S	S	*	*			trans	-134.3	109.7	-173.6	0	0	0	0	0	111.4	K615 K619	K615-A617 VanDerWaalsContact O-CB 3.3Å; K615-A617 WeakPolarHBondContact O-CB 3.29Å; K615-A617 PolarHBondContact O-N 3.13Å; A617-K619 PolarHBondContact O-N 3.4Å
618	I	43.3	Very low	43.8	Very low	179 Å²	179	119.5 Å²	119.5	92%	0.918	62%	0.617	S	S	*	*			trans	-45.6	120.1	179.9	-60.2	157.2	0	0	0	112
619	K	26.7	Very low	41.7	Very low	183 Å²	183	121.7 Å²	121.7	80%	0.796	62%	0.624	S	S	*	*			trans	-141.4	156.6	171.4	-91.7	-164.7	175.1	174.4	0	112.6	A617	A617-K619 PolarHBondContact O-N 3.4Å
620	P	25.4	Very low	39.2	Very low	119 Å²	119	126.9 Å²	126.9	77%	0.773	65%	0.652	S	S	*	*			trans	-99.2	178.5	-134.5	-8.8	29.3	0	0	0	116.9	G622	P620-G622 PolarHBondContact O-N 2.83Å
621	T	35.2	Very low	37	Very low	122 Å²	122	134.5 Å²	134.5	75%	0.748	69%	0.685	S	S	*	*			trans	-58.4	104.5	174.8	35.8	0	0	0	0	113.7	L640	T621-L640 HydrophobicContact CG2-CD1 4.02Å
622	G	25.1	Very low	35.4	Very low	74 Å²	74	134.7 Å²	134.7	76%	0.763	69%	0.694	S	S	*	*			trans	-125.7	119.7	171.7	0	0	0	0	0	111.8	P620	P620-G622 PolarHBondContact O-N 2.83Å
623	Q	29.3	Very low	33.9	Very low	149 Å²	149	135.8 Å²	135.8	70%	0.696	71%	0.71	S	S	*	*			trans	-77.2	138.9	-169.4	-60	178.7	14.2	0	0	113.9
624	R	26.4	Very low	32.9	Very low	251 Å²	251	142.4 Å²	142.4	95%	0.947	74%	0.735	S	S	*	*			trans	-130.9	108.2	141.3	-77.6	-166.1	172.7	-170.5	-3.1	110.7
625	R	27.8	Very low	32.3	Very low	176 Å²	176	141.6 Å²	141.6	66%	0.664	72%	0.724	S	S	*	*			trans	-81	166.5	160.5	-55.1	174.9	176.5	163.1	-5	107.4
626	F	25.3	Very low	31.6	Very low	178 Å²	178	140.8 Å²	140.8	78%	0.781	73%	0.726	S	S	*	*			cis	-145.5	156.3	21.5	-115.1	-73.4	0	0	0	112.4
627	L	31.6	Very low	31.3	Very low	114 Å²	114	139.7 Å²	139.7	60%	0.597	71%	0.712	S	S	*	*			trans	-91	122.8	169.3	-147.6	89	0	0	0	110.5	I636	L627-I636 HydrophobicContact CD1-CD1 4.43Å
628	K	31.4	Very low	31.2	Very low	175 Å²	175	139.4 Å²	139.4	76%	0.761	71%	0.705	S	S	*	*			trans	-158.3	144.9	167.1	-81.4	-162.2	175.4	168.7	0	107.6
629	K	42.8	Very low	30.8	Very low	168 Å²	168	136.6 Å²	136.6	73%	0.73	70%	0.699	S	S	*	*	S	Bend	cis	-156.9	143.7	-2.6	-109.4	-174.9	169.2	-170.6	0	105.6
630	N	31.7	Very low	31	Very low	112 Å²	112	134.6 Å²	134.6	60%	0.599	70%	0.696	S	S	*	*	S	Bend	cis	-131	171.2	13	-72.2	-41.9	0	0	0	112.7	V632	N630-V632 PolarHBondContact O-N 2.93Å
631	E	32.1	Very low	31.5	Very low	193 Å²	193	130 Å²	130	90%	0.902	67%	0.668	S	S	*	*	S	Bend	trans	64.2	-13.4	149	-77.6	159.4	-160.5	0	0	123.1	G633	E631-G633 VanDerWaalsContact C-N 3.33Å
632	V	34.9	Very low	31.6	Very low	128 Å²	128	128.7 Å²	128.7	78%	0.776	67%	0.669	S	S	*	*			trans	-94.9	9	164.5	-161.1	0	0	0	0	112.1	N630 K634	N630-V632 PolarHBondContact O-N 2.93Å; V632-K634 PolarHBondContact O-N 3.48Å
633	G	30.7	Very low	32.4	Very low	48 Å²	48	131.3 Å²	131.3	50%	0.495	67%	0.671	S	S	.	*			trans	-70.9	22.2	-171.3	0	0	0	0	0	118.2	E631	E631-G633 VanDerWaalsContact C-N 3.33Å
634	K	31	Very low	33.2	Very low	171 Å²	171	126.2 Å²	126.2	74%	0.743	65%	0.654	S	S	*	*	S	Bend	trans	-147.6	106.6	167.2	-61.3	-178.8	-175.2	175.6	0	106.7	V632 R950	V632-K634 PolarHBondContact O-N 3.48Å; K634-R950 PolarHBondContact O-NH1 2.82Å; K634-R950 PolarHBondContact O-NH2 2.94Å
635	I	35.8	Very low	35	Very low	94 Å²	94	123.8 Å²	123.8	48%	0.482	65%	0.65	S	S	.	*			cis	-137.3	129.8	38.9	-62.3	167.4	0	0	0	110.1	L637 D833	I635-L637 HydrophobicContact CG2-CD2 4.3Å; I635-L637 HydrophobicContact CG2-CG 3.85Å; I635-D833 WeakPolarHBondContact CD1-OD2 3.34Å
636	I	31.7	Very low	37.4	Very low	146 Å²	146	117 Å²	117	75%	0.749	63%	0.625	S	S	*	*			trans	-130.5	111.6	154	-61.8	179	0	0	0	105.8	L627 S638	L627-I636 HydrophobicContact CD1-CD1 4.43Å; I636-S638 PolarHBondContact O-N 3.34Å
637	L	31.3	Very low	40.1	Very low	80 Å²	80	111.2 Å²	111.2	42%	0.419	61%	0.605	S	S	.	*			trans	-75.5	117.3	-179.7	-70.6	167.8	0	0	0	109.4	I635 A641 A644	I635-L637 HydrophobicContact CG2-CD2 4.3Å; I635-L637 HydrophobicContact CG2-CG 3.85Å; L637-A641 HydrophobicContact CB-CB 4.3Å; L637-A641 HydrophobicContact CD2-CB 3.76Å; L637-A644 HydrophobicContact CD1-CB 4.48Å; L637-A644 HydrophobicContact CD2-CB 3.68Å
638	S	26.4	Very low	42.3	Very low	67 Å²	67	111.4 Å²	111.4	47%	0.469	61%	0.611	S	S	.	*			trans	-67.1	157.1	170.3	60.1	0	0	0	0	111.1	I636 L640 A641	I636-S638 PolarHBondContact O-N 3.34Å; S638-L640 PolarHBondContact O-N 3.14Å; S638-A641 WeakPolarHBondContact O-CA 3.21Å; S638-A641 VanDerWaalsContact O-CB 3.27Å; S638-A641 WeakPolarHBondContact O-CB 3.4Å; S638-A641 PolarHBondContact O-N 2.83Å
639	P	33.4	Very low	45	Very low	121 Å²	121	104.6 Å²	104.6	79%	0.786	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-56.7	-20.9	176	-28.3	36.5	0	0	0	115.7	A641	P639-A641 PolarHBondContact O-N 2.81Å
640	L	32.6	Very low	47	Very low	140 Å²	140	101.1 Å²	101.1	73%	0.733	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-79.3	1.1	172.3	-76.2	82.1	0	0	0	113.8	T621 S638	T621-L640 HydrophobicContact CG2-CD1 4.02Å; S638-L640 PolarHBondContact O-N 3.14Å
641	A	35	Very low	49.6	Very low	23 Å²	23	100.1 Å²	100.1	19%	0.19	56%	0.562	C	S	.	*	G	3₁₀ helix	trans	-104.7	24.5	179.3	0	0	0	0	0	112.8	L637 S638 P639 T643 A644	L637-A641 HydrophobicContact CB-CB 4.3Å; L637-A641 HydrophobicContact CD2-CB 3.76Å; S638-A641 WeakPolarHBondContact O-CA 3.21Å; S638-A641 VanDerWaalsContact O-CB 3.27Å; S638-A641 WeakPolarHBondContact O-CB 3.4Å; S638-A641 PolarHBondContact O-N 2.83Å; P639-A641 PolarHBondContact O-N 2.81Å; A641-T643 PolarHBondContact O-N 2.81Å; A641-A644 HydrophobicContact CB-CB 4.38Å; A641-A644 VanDerWaalsContact O-CB 3.26Å; A641-A644 WeakPolarHBondContact O-CB 3.42Å; A641-A644 PolarHBondContact O-N 3.06Å
642	A	37.9	Very low	52.3	Low	94 Å²	94	93.3 Å²	93.3	78%	0.777	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-2.9	172	0	0	0	0	0	114.2
643	T	40.9	Very low	54.6	Low	130 Å²	130	90.8 Å²	90.8	80%	0.798	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-3.7	172.6	52.7	0	0	0	0	113.6	A641 K645	A641-T643 PolarHBondContact O-N 2.81Å; T643-K645 PolarHBondContact O-N 3.23Å; T643-K645 VanDerWaalsContact O-N 3.14Å
644	A	46.9	Very low	57.1	Low	41 Å²	41	88.8 Å²	88.8	34%	0.339	49%	0.493	S	S	.	.			trans	-75	102.7	-179.4	0	0	0	0	0	111	L637 A641 Y646	L637-A644 HydrophobicContact CD1-CB 4.48Å; L637-A644 HydrophobicContact CD2-CB 3.68Å; A641-A644 HydrophobicContact CB-CB 4.38Å; A641-A644 VanDerWaalsContact O-CB 3.26Å; A641-A644 WeakPolarHBondContact O-CB 3.42Å; A641-A644 PolarHBondContact O-N 3.06Å; A644-Y646 PolarHBondContact O-N 2.79Å
645	K	64.7	Low	59	Low	200 Å²	200	87.4 Å²	87.4	87%	0.87	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-58.5	129.6	169.4	-63.9	-178.6	179.9	-179.4	0	109.4	T643	T643-K645 PolarHBondContact O-N 3.23Å; T643-K645 VanDerWaalsContact O-N 3.14Å
646	Y	77.9	Confident	60.7	Low	35 Å²	35	86.2 Å²	86.2	14%	0.137	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-56.4	139.6	170.6	-76.5	-82.7	0	0	0	110.2	A644 S768 M832	A644-Y646 PolarHBondContact O-N 2.79Å; Y646-S768 PolarHBondContact OH-N 3.09Å; Y646-S768 PolarHBondContact OH-OG 3.3Å; Y646-S768 VanDerWaalsContact OH-OG 3.04Å; Y646-M832 HydrophobicContact CD1-CB 3.95Å; Y646-M832 HydrophobicContact CD1-CE 3.83Å; Y646-M832 WeakPolarHBondContact CD1-O 3.5Å; Y646-M832 HydrophobicContact CD2-CE 3.75Å; Y646-M832 HydrophobicContact CE1-CB 4.45Å; Y646-M832 HydrophobicContact CE1-CE 3.71Å; Y646-M832 HydrophobicContact CE2-CE 3.63Å; Y646-M832 HydrophobicContact CG-CB 4.45Å; Y646-M832 HydrophobicContact CG-CE 3.85Å
647	P	80.6	Confident	63.1	Low	55 Å²	55	79.5 Å²	79.5	36%	0.357	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-66.4	137.7	176.4	30.5	-35.4	0	0	0	109.6	D833 F954	P647-D833 HydrophobicContact CG-CB 3.6Å; P647-F954 HydrophobicContact CB-CD1 3.82Å; P647-F954 HydrophobicContact CB-CE1 4.15Å; P647-F954 HydrophobicContact CG-CD1 4.07Å; P647-F954 HydrophobicContact CG-CE1 4.11Å
648	V	78.5	Confident	65.6	Low	118 Å²	118	78.3 Å²	78.3	72%	0.715	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-86.4	123.4	180	-178.3	0	0	0	0	109.3	Q650	V648-Q650 WeakPolarHBondContact O-CG 3.06Å; V648-Q650 PolarHBondContact O-N 3.44Å
649	F	87.1	Confident	68.6	Low	33 Å²	33	75.8 Å²	75.8	15%	0.145	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-56.7	121.6	172.4	-178.2	-84.7	0	0	0	111	L742 K831 L949 A953 F954	F649-L742 HydrophobicContact CE2-CD2 3.94Å; F649-L742 HydrophobicContact CZ-CD2 3.88Å; F649-K831 HydrophobicContact CB-CB 3.93Å; F649-K831 HydrophobicContact CB-CG 3.85Å; F649-K831 HydrophobicContact CD1-CG 4.34Å; F649-K831 HydrophobicContact CD2-CG 4.1Å; F649-K831 HydrophobicContact CG-CB 4.4Å; F649-K831 HydrophobicContact CG-CG 3.86Å; F649-L949 HydrophobicContact CE2-CD1 4.1Å; F649-A953 HydrophobicContact CD2-CB 3.67Å; F649-A953 HydrophobicContact CE2-CB 3.58Å; F649-A953 HydrophobicContact CG-CB 4.44Å; F649-A953 HydrophobicContact CZ-CB 4.29Å; F649-F954 HydrophobicContact CB-CE1 4.12Å; F649-F954 HydrophobicContact CB-CZ 4.21Å; F649-F954 HydrophobicContact CD2-CZ 4.14Å
650	Q	86.1	Confident	71.2	Confident	95 Å²	95	70 Å²	70	44%	0.444	39%	0.393	S	S	.	.			trans	-105.2	134.4	176	-54	-167.5	18.2	0	0	109.7	V648 R652 T738 A953	V648-Q650 WeakPolarHBondContact O-CG 3.06Å; V648-Q650 PolarHBondContact O-N 3.44Å; Q650-R652 HydrophobicContact CB-CG 4.26Å; Q650-R652 PolarHBondContact O-N 3.18Å; Q650-T738 PolarHBondContact O-OG1 2.89Å; Q650-A953 PolarHBondContact N-O 2.9Å
651	D	87.1	Confident	73.9	Confident	91 Å²	91	68.4 Å²	68.4	49%	0.487	38%	0.38	S	S	.	.			trans	-84.6	115.3	174.3	-160.4	24.1	0	0	0	111.3	T738 S739	D651-T738 VanDerWaalsContact CA-OG1 3.31Å; D651-T738 WeakPolarHBondContact CA-OG1 3.13Å; D651-T738 PolarHBondContact OD1-N 2.63Å; D651-T738 PolarHBondContact OD1-OG1 2.77Å; D651-S739 VanDerWaalsContact CG-CB 3.43Å; D651-S739 VanDerWaalsContact OD1-CB 3.32Å; D651-S739 WeakPolarHBondContact OD1-CB 3.16Å; D651-S739 PolarHBondContact OD1-N 2.91Å; D651-S739 PolarHBondContact OD1-OG 2.86Å; D651-S739 VanDerWaalsContact OD1-OG 3.13Å; D651-S739 WeakPolarHBondContact OD2-CB 3.5Å; D651-S739 PolarHBondContact OD2-OG 2.91Å
652	R	87.1	Confident	76.5	Confident	50 Å²	50	67.4 Å²	67.4	19%	0.189	37%	0.371	C	S	.	.			trans	-139.2	156.6	-172.8	-66.6	-179.2	177.6	178.8	-0.2	110.9	Q650 T737 T738 S955	Q650-R652 HydrophobicContact CB-CG 4.26Å; Q650-R652 PolarHBondContact O-N 3.18Å; R652-T737 CarbonylContact O-C 3.54Å; R652-T737 WeakPolarHBondContact O-CA 3.27Å; R652-T738 PolarHBondContact N-OG1 2.99Å; R652-T738 PolarHBondContact O-N 3.23Å; R652-T738 PolarHBondContact O-OG1 3.24Å; R652-S955 PolarHBondContact NH1-O 3.46Å; R652-S955 PolarHBondContact NH1-OG 2.84Å
653	P	83.7	Confident	79	Confident	74 Å²	74	66.7 Å²	66.7	48%	0.481	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	-65.7	141.7	166.9	29.2	-34.8	0	0	0	111	L655	P653-L655 HydrophobicContact CB-CD2 4.16Å; P653-L655 HydrophobicContact CG-CD2 4.01Å; P653-L655 HydrophobicContact CG-CG 4.47Å; P653-L655 PolarHBondContact O-N 2.92Å
654	V	84.3	Confident	81.3	Confident	6 Å²	6	66.4 Å²	66.4	4%	0.036	34%	0.342	C	S	.	.			trans	-83.3	94.9	177	-176.1	0	0	0	0	109	L657 L736 T738 L741 M948 A952	V654-L657 HydrophobicContact CB-CD1 4.33Å; V654-L657 HydrophobicContact CB-CG 4.45Å; V654-L657 HydrophobicContact CG1-CD1 4.38Å; V654-L657 HydrophobicContact CG1-CD2 3.93Å; V654-L657 HydrophobicContact CG1-CG 3.99Å; V654-L657 WeakPolarHBondContact O-CD1 3.44Å; V654-L657 WeakPolarHBondContact O-CG 3.47Å; V654-L736 HydrophobicContact CB-CD2 4.13Å; V654-L736 HydrophobicContact CB-CG 4.27Å; V654-L736 HydrophobicContact CG2-CD2 4.06Å; V654-L736 HydrophobicContact CG2-CG 3.95Å; V654-L736 PolarHBondContact N-O 2.87Å; V654-T738 HydrophobicContact CG2-CG2 4.11Å; V654-L741 HydrophobicContact CG2-CD2 4.08Å; V654-M948 HydrophobicContact CG1-CG 4.06Å; V654-M948 HydrophobicContact CG1-SD 3.86Å; V654-A952 HydrophobicContact CB-CB 4.44Å; V654-A952 HydrophobicContact CG1-CB 4.22Å; V654-A952 HydrophobicContact CG2-CB 3.99Å
655	L	70.9	Confident	83.3	Confident	142 Å²	142	68.4 Å²	68.4	74%	0.743	35%	0.35	S	S	*	.			trans	-78.6	-27.1	-171.8	-59.6	178.8	0	0	0	114.4	P653 L657	P653-L655 HydrophobicContact CB-CD2 4.16Å; P653-L655 HydrophobicContact CG-CD2 4.01Å; P653-L655 HydrophobicContact CG-CG 4.47Å; P653-L655 PolarHBondContact O-N 2.92Å; L655-L657 PolarHBondContact O-N 2.96Å
656	S	70.8	Confident	84.4	Confident	69 Å²	69	60.4 Å²	60.4	48%	0.483	32%	0.317	S	S	.	.			trans	-80.2	23	-171.1	46.5	0	0	0	0	115.5	M948	S656-M948 PolarHBondContact OG-SD 3.41Å
657	L	81.1	Confident	84.7	Confident	5 Å²	5	64.3 Å²	64.3	3%	0.026	35%	0.345	C	S	.	.			trans	-79.2	145.3	-175.7	-62.5	168.7	0	0	0	112.2	V654 L655 Y659 A685 L686 L687 L736	V654-L657 HydrophobicContact CB-CD1 4.33Å; V654-L657 HydrophobicContact CB-CG 4.45Å; V654-L657 HydrophobicContact CG1-CD1 4.38Å; V654-L657 HydrophobicContact CG1-CD2 3.93Å; V654-L657 HydrophobicContact CG1-CG 3.99Å; V654-L657 WeakPolarHBondContact O-CD1 3.44Å; V654-L657 WeakPolarHBondContact O-CG 3.47Å; L655-L657 PolarHBondContact O-N 2.96Å; L657-Y659 HydrophobicContact CB-CE2 4.37Å; L657-A685 HydrophobicContact CB-CB 4.44Å; L657-A685 HydrophobicContact CD1-CB 4.04Å; L657-L686 WeakPolarHBondContact CD2-O 3.46Å; L657-L687 HydrophobicContact CD2-CD2 3.94Å; L657-L687 HydrophobicContact CD2-CG 4.28Å; L657-L736 HydrophobicContact CD1-CB 4.4Å; L657-L736 HydrophobicContact CD1-CD2 4.24Å; L657-L736 HydrophobicContact CD2-CD2 4.4Å
658	K	85.1	Confident	84.4	Confident	55 Å²	55	64.4 Å²	64.4	24%	0.239	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	141.7	163.4	-71.8	-167.5	-178.1	-176.6	0	109.9	A685 L686 E689 V722 G724 K725	K658-A685 CarbonylContact O-C 3.58Å; K658-L686 PolarHBondContact N-O 2.9Å; K658-L686 WeakPolarHBondContact O-CB 3.1Å; K658-L686 PolarHBondContact O-N 2.89Å; K658-E689 HydrophobicContact CD-CG 4.33Å; K658-E689 VanDerWaalsContact CE-CD 3.44Å; K658-E689 WeakPolarHBondContact CE-OE1 3.26Å; K658-E689 IonicContact NZ-OE1 2.82Å; K658-E689 PolarHBondContact NZ-OE1 3.29Å; K658-E689 IonicContact NZ-OE2 3.6Å; K658-E689 PolarHBondContact NZ-OE2 3.13Å; K658-V722 HydrophobicContact CD-CG1 4.49Å; K658-G724 CarbonylContact C-O 3.57Å; K658-G724 WeakPolarHBondContact CA-O 3.42Å; K658-K725 HydrophobicContact CG-CG 4.25Å
659	Y	88.1	Confident	83.5	Confident	14 Å²	14	68.9 Å²	68.9	6%	0.055	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	142.6	178.6	-64.4	-86.6	0	0	0	111.3	L657 V683 I684 A685 V723 G724 V726 K727 P728 F731	L657-Y659 HydrophobicContact CB-CE2 4.37Å; Y659-V683 HydrophobicContact CD1-CG1 3.88Å; Y659-V683 HydrophobicContact CG-CG1 4.5Å; Y659-I684 WeakPolarHBondContact CA-O 3.28Å; Y659-A685 HydrophobicContact CD1-CB 4.12Å; Y659-A685 HydrophobicContact CE1-CB 3.88Å; Y659-V723 PolarHBondContact O-N 3.06Å; Y659-G724 PolarHBondContact N-O 2.96Å; Y659-G724 PolarHBondContact O-N 3.21Å; Y659-V726 WeakPolarHBondContact CD2-O 3.47Å; Y659-K727 HydrophobicContact CE1-CG 4.29Å; Y659-K727 VanDerWaalsContact CE2-CA 3.49Å; Y659-K727 HydrophobicContact CE2-CB 3.8Å; Y659-K727 HydrophobicContact CE2-CG 4.31Å; Y659-P728 HydrophobicContact CG-CG 4.36Å; Y659-F731 HydrophobicContact CD1-CD2 4.14Å; Y659-F731 HydrophobicContact CD1-CE2 4.16Å; Y659-F731 AromaticContact CE1-CD2 3.84Å; Y659-F731 HydrophobicContact CE1-CD2 3.84Å; Y659-F731 AromaticContact CE1-CE2 3.8Å; Y659-F731 HydrophobicContact CE1-CE2 3.8Å
660	G	88.3	Confident	82.4	Confident	1 Å²	1	72.9 Å²	72.9	1%	0.01	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	153.5	175.8	0	0	0	0	0	112.3	V683 I684 L721	G660-V683 WeakPolarHBondContact O-CA 3.24Å; G660-I684 PolarHBondContact N-O 3.04Å; G660-I684 WeakPolarHBondContact O-CG2 3.43Å; G660-I684 PolarHBondContact O-N 3.02Å; G660-L721 CarbonylContact C-O 3.58Å; G660-L721 WeakPolarHBondContact CA-O 3.46Å
661	K	89.9	Confident	81.3	Confident	106 Å²	106	76 Å²	76	46%	0.461	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	132.6	175	-168.8	168.7	-172	168.8	0	110.5	G681 L721 V723	K661-G681 VanDerWaalsContact CE-O 3.27Å; K661-G681 WeakPolarHBondContact CE-O 3.48Å; K661-L721 PolarHBondContact N-O 3.16Å; K661-L721 PolarHBondContact O-N 2.76Å; K661-V723 HydrophobicContact CB-CG2 4.03Å
662	L	90.1	Very high	80.6	Confident	2 Å²	2	73 Å²	73	1%	0.01	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	118.8	-173.6	-67.9	159	0	0	0	111	Y678 K679 K680 G681 D682 I684 Y708 V715 V720	L662-Y678 HydrophobicContact CB-CD2 4.36Å; L662-Y678 HydrophobicContact CD1-CD2 4.29Å; L662-Y678 HydrophobicContact CD1-CG 4.2Å; L662-Y678 HydrophobicContact CD2-CD2 3.7Å; L662-Y678 HydrophobicContact CD2-CE2 3.99Å; L662-Y678 HydrophobicContact CD2-CG 3.98Å; L662-Y678 HydrophobicContact CG-CD2 4.33Å; L662-K679 WeakPolarHBondContact CB-O 3.33Å; L662-K680 WeakPolarHBondContact O-CA 3.34Å; L662-G681 PolarHBondContact O-N 3.27Å; L662-D682 WeakPolarHBondContact CB-O 3.39Å; L662-D682 HydrophobicContact CD1-CB 3.83Å; L662-D682 WeakPolarHBondContact CG-O 3.31Å; L662-D682 PolarHBondContact N-O 3.47Å; L662-I684 HydrophobicContact CD1-CB 4.06Å; L662-I684 HydrophobicContact CD1-CG2 4.39Å; L662-I684 HydrophobicContact CD2-CB 4.18Å; L662-I684 HydrophobicContact CD2-CD1 4.32Å; L662-I684 HydrophobicContact CD2-CG2 3.8Å; L662-I684 HydrophobicContact CG-CB 4.15Å; L662-I684 HydrophobicContact CG-CG2 3.92Å; L662-Y708 HydrophobicContact CD1-CD2 4.13Å; L662-Y708 HydrophobicContact CD1-CE2 3.98Å; L662-V715 HydrophobicContact CD2-CG2 4Å; L662-V720 HydrophobicContact CD2-CG2 4.25Å
663	L	89.1	Confident	79.9	Confident	78 Å²	78	77.4 Å²	77.4	41%	0.408	39%	0.392	S	S	.	.			trans	-84.6	-17.5	-171.1	-62.1	178.1	0	0	0	113.9	K680 N719 L721	L663-K680 WeakPolarHBondContact O-CG 3.28Å; L663-N719 PolarHBondContact N-O 3.02Å; L663-L721 HydrophobicContact CD1-CB 4.29Å; L663-L721 HydrophobicContact CD2-CB 3.98Å; L663-L721 HydrophobicContact CG-CB 4.26Å
664	K	89.7	Confident	80	Confident	125 Å²	125	74.6 Å²	74.6	54%	0.543	37%	0.372	S	S	.	.	S	Bend	trans	-144.2	145.2	-176.9	-62.7	-171.8	-180	-175	0	110.9	Y678	K664-Y678 VanDerWaalsContact O-CD2 3.29Å; K664-Y678 WeakPolarHBondContact O-CD2 3.44Å; K664-Y678 VanDerWaalsContact O-CE2 3.24Å; K664-Y678 WeakPolarHBondContact O-CE2 3.43Å
665	T	89.3	Confident	80.2	Confident	83 Å²	83	76 Å²	76	51%	0.509	38%	0.379	S	S	.	.			trans	-75.1	133.6	167.5	-59.5	0	0	0	0	109.2	V667 Y678 K680	T665-V667 HydrophobicContact CG2-CG2 4.25Å; T665-Y678 CarbonylContact C-O 3.58Å; T665-Y678 WeakPolarHBondContact CA-O 3.4Å; T665-K680 PolarHBondContact OG1-N 2.76Å
666	V	87.3	Confident	81	Confident	31 Å²	31	69.6 Å²	69.6	19%	0.188	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-133.8	110.9	175.4	174.8	0	0	0	0	109	R668 E677 Y678	V666-R668 HydrophobicContact CG1-CG 4.35Å; V666-E677 CarbonylContact O-C 3.52Å; V666-E677 VanDerWaalsContact O-CA 3.22Å; V666-E677 WeakPolarHBondContact O-CA 3.45Å; V666-Y678 HydrophobicContact CB-CD2 4.19Å; V666-Y678 HydrophobicContact CB-CE1 4.11Å; V666-Y678 HydrophobicContact CB-CE2 3.73Å; V666-Y678 HydrophobicContact CG2-CD2 4.4Å; V666-Y678 HydrophobicContact CG2-CE1 4.49Å; V666-Y678 HydrophobicContact CG2-CE2 3.55Å; V666-Y678 PolarHBondContact N-O 2.87Å; V666-Y678 PolarHBondContact O-N 2.73Å
667	V	84.1	Confident	81.9	Confident	117 Å²	117	69.7 Å²	69.7	71%	0.709	34%	0.339	S	S	*	.			trans	-113.9	146.4	169.6	-178.1	0	0	0	0	107.4	T665	T665-V667 HydrophobicContact CG2-CG2 4.25Å
668	R	75.6	Confident	82.3	Confident	58 Å²	58	69.7 Å²	69.7	22%	0.219	34%	0.339	C	S	.	.			trans	-123.7	130.1	-173.6	-58.8	170.7	-172.6	-82.7	1.4	110.7	V666 N670 L676 E677	V666-R668 HydrophobicContact CG1-CG 4.35Å; R668-N670 VanDerWaalsContact C-N 3.32Å; R668-N670 PolarHBondContact O-N 2.88Å; R668-L676 PolarHBondContact NE-O 2.69Å; R668-L676 PolarHBondContact NH2-O 3.31Å; R668-E677 HydrophobicContact CB-CG 4.1Å; R668-E677 HydrophobicContact CG-CG 3.8Å
669	Q	60.1	Low	82.4	Confident	212 Å²	212	73.3 Å²	73.3	99%	0.991	35%	0.354	S	S	*	.	S	Bend	trans	-65.8	-34	175.3	-68.3	173.4	-21.8	0	0	112.5
670	N	63.2	Low	82.5	Confident	116 Å²	116	79.7 Å²	79.7	62%	0.62	38%	0.382	S	S	*	.	S	Bend	trans	-108.4	106.7	178.1	-169.8	-57	0	0	0	109.7	R668 N672 K934	R668-N670 VanDerWaalsContact C-N 3.32Å; R668-N670 PolarHBondContact O-N 2.88Å; N670-N672 PolarHBondContact O-N 2.8Å; N670-K934 PolarHBondContact OD1-NZ 3.15Å
671	K	63.3	Low	82.3	Confident	160 Å²	160	81.3 Å²	81.3	70%	0.696	40%	0.399	S	S	*	.			trans	-58.3	118.9	-179.4	-65.9	179.8	-179.7	176.8	0	110.2	K934	K671-K934 PolarHBondContact O-NZ 3.35Å
672	N	72.1	Confident	82.2	Confident	29 Å²	29	78.1 Å²	78.1	16%	0.155	39%	0.387	C	S	.	.			trans	-123.4	110.3	173.3	-175.7	-5.8	0	0	0	108.7	N670 Y674 L675 K934	N670-N672 PolarHBondContact O-N 2.8Å; N672-Y674 PolarHBondContact O-N 2.76Å; N672-Y674 PolarHBondContact OD1-N 3.14Å; N672-L675 HydrophobicContact CB-CB 4.23Å; N672-L675 HydrophobicContact CB-CD1 4.21Å; N672-L675 HydrophobicContact CB-CG 4.26Å; N672-L675 WeakPolarHBondContact ND2-CD1 3.34Å; N672-L675 PolarHBondContact O-N 3.39Å; N672-K934 HydrophobicContact CB-CD 4.3Å; N672-K934 WeakPolarHBondContact OD1-CD 3.29Å
673	H	73.1	Confident	82.1	Confident	142 Å²	142	79 Å²	79	66%	0.657	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-16.6	-173.6	-55.6	114.5	0	0	0	114.8
674	Y	85.6	Confident	82.2	Confident	15 Å²	15	75.2 Å²	75.2	6%	0.059	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	2.6	179.7	-53.7	-68.6	0	0	0	114.2	N672 G713 L714 P748 K934 H935 G938 I941	N672-Y674 PolarHBondContact O-N 2.76Å; N672-Y674 PolarHBondContact OD1-N 3.14Å; Y674-G713 WeakPolarHBondContact O-CA 3.11Å; Y674-L714 PolarHBondContact O-N 2.99Å; Y674-P748 WeakPolarHBondContact OH-CA 3.45Å; Y674-K934 HydrophobicContact CD2-CB 4.21Å; Y674-K934 WeakPolarHBondContact CD2-O 3.5Å; Y674-K934 HydrophobicContact CE2-CB 4.36Å; Y674-K934 WeakPolarHBondContact CE2-O 3.4Å; Y674-H935 AromaticContact CE2-ND1 3.72Å; Y674-H935 AromaticContact CZ-ND1 3.9Å; Y674-H935 PolarHBondContact OH-ND1 2.91Å; Y674-H935 VanDerWaalsContact OH-ND1 3.13Å; Y674-G938 VanDerWaalsContact CD1-CA 3.46Å; Y674-G938 VanDerWaalsContact CE1-CA 3.4Å; Y674-I941 HydrophobicContact CD1-CD1 3.91Å; Y674-I941 HydrophobicContact CG-CD1 4.25Å
675	L	87.3	Confident	82.1	Confident	35 Å²	35	69.3 Å²	69.3	18%	0.183	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-119.6	116.8	175.2	-63.4	-179.4	0	0	0	109.4	N672 W703 L714	N672-L675 HydrophobicContact CB-CB 4.23Å; N672-L675 HydrophobicContact CB-CD1 4.21Å; N672-L675 HydrophobicContact CB-CG 4.26Å; N672-L675 WeakPolarHBondContact ND2-CD1 3.34Å; N672-L675 PolarHBondContact O-N 3.39Å; L675-W703 HydrophobicContact CD2-CZ3 4.42Å; L675-L714 HydrophobicContact CD2-CB 4.05Å; L675-L714 HydrophobicContact CD2-CD1 4.45Å
676	L	87.6	Confident	82.1	Confident	8 Å²	8	65.8 Å²	65.8	4%	0.042	33%	0.325	C	S	.	.			trans	-68.6	152	-174.4	-65.1	173	0	0	0	112.6	R668 Y678 I684 K711 G713 L714	R668-L676 PolarHBondContact NE-O 2.69Å; R668-L676 PolarHBondContact NH2-O 3.31Å; L676-Y678 HydrophobicContact CB-CD1 3.9Å; L676-Y678 HydrophobicContact CB-CE1 4.23Å; L676-I684 HydrophobicContact CD1-CD1 3.64Å; L676-K711 HydrophobicContact CD2-CB 4.08Å; L676-G713 WeakPolarHBondContact CD1-O 3.49Å; L676-L714 PolarHBondContact N-O 3.34Å; L676-L714 VanDerWaalsContact N-O 3.13Å
677	E	89.4	Confident	82.1	Confident	71 Å²	71	64.4 Å²	64.4	33%	0.332	32%	0.317	S	S	.	.			trans	-118.3	135.2	169.9	-71.4	166.3	-153.1	0	0	106.9	V666 R668 Y708	V666-E677 CarbonylContact O-C 3.52Å; V666-E677 VanDerWaalsContact O-CA 3.22Å; V666-E677 WeakPolarHBondContact O-CA 3.45Å; R668-E677 HydrophobicContact CB-CG 4.1Å; R668-E677 HydrophobicContact CG-CG 3.8Å; E677-Y708 WeakPolarHBondContact O-CD1 3.25Å; E677-Y708 WeakPolarHBondContact O-CE1 3.27Å
678	Y	89.4	Confident	81.9	Confident	6 Å²	6	60.1 Å²	60.1	2%	0.024	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-163.4	160.1	-165.4	47.4	-97.3	0	0	0	112.3	L662 K664 T665 V666 L676 V715 N719	L662-Y678 HydrophobicContact CB-CD2 4.36Å; L662-Y678 HydrophobicContact CD1-CD2 4.29Å; L662-Y678 HydrophobicContact CD1-CG 4.2Å; L662-Y678 HydrophobicContact CD2-CD2 3.7Å; L662-Y678 HydrophobicContact CD2-CE2 3.99Å; L662-Y678 HydrophobicContact CD2-CG 3.98Å; L662-Y678 HydrophobicContact CG-CD2 4.33Å; K664-Y678 VanDerWaalsContact O-CD2 3.29Å; K664-Y678 WeakPolarHBondContact O-CD2 3.44Å; K664-Y678 VanDerWaalsContact O-CE2 3.24Å; K664-Y678 WeakPolarHBondContact O-CE2 3.43Å; T665-Y678 CarbonylContact C-O 3.58Å; T665-Y678 WeakPolarHBondContact CA-O 3.4Å; V666-Y678 HydrophobicContact CB-CD2 4.19Å; V666-Y678 HydrophobicContact CB-CE1 4.11Å; V666-Y678 HydrophobicContact CB-CE2 3.73Å; V666-Y678 HydrophobicContact CG2-CD2 4.4Å; V666-Y678 HydrophobicContact CG2-CE1 4.49Å; V666-Y678 HydrophobicContact CG2-CE2 3.55Å; V666-Y678 PolarHBondContact N-O 2.87Å; V666-Y678 PolarHBondContact O-N 2.73Å; L676-Y678 HydrophobicContact CB-CD1 3.9Å; L676-Y678 HydrophobicContact CB-CE1 4.23Å; Y678-V715 HydrophobicContact CD1-CG2 4.44Å; Y678-V715 HydrophobicContact CE1-CG2 3.76Å; Y678-N719 HydrophobicContact CE2-CB 4.35Å; Y678-N719 PolarHBondContact OH-ND2 3.18Å
679	K	88.8	Confident	81.9	Confident	130 Å²	130	63.6 Å²	63.6	57%	0.565	31%	0.31	S	S	*	.			trans	-102.3	155.4	178	-51.2	174.8	-178.6	175.9	0	111.8	L662 D682	L662-K679 WeakPolarHBondContact CB-O 3.33Å; K679-D682 WeakPolarHBondContact CB-OD2 3.38Å
680	K	89.3	Confident	83	Confident	149 Å²	149	57.9 Å²	57.9	65%	0.648	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	132.8	169.9	179.1	-179.2	179.7	-165.9	0	109.7	L662 L663 T665	L662-K680 WeakPolarHBondContact O-CA 3.34Å; L663-K680 WeakPolarHBondContact O-CG 3.28Å; T665-K680 PolarHBondContact OG1-N 2.76Å
681	G	83.8	Confident	84.1	Confident	35 Å²	35	56.7 Å²	56.7	36%	0.361	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.5	-30.7	178	0	0	0	0	0	113.4	K661 L662	K661-G681 VanDerWaalsContact CE-O 3.27Å; K661-G681 WeakPolarHBondContact CE-O 3.48Å; L662-G681 PolarHBondContact O-N 3.27Å
682	D	88.9	Confident	85.3	Confident	39 Å²	39	49.2 Å²	49.2	21%	0.209	24%	0.24	C	C	.	.			trans	-64.8	158.4	-176.9	-63.8	-3.3	0	0	0	112.6	L662 K679 Y708	L662-D682 WeakPolarHBondContact CB-O 3.39Å; L662-D682 HydrophobicContact CD1-CB 3.83Å; L662-D682 WeakPolarHBondContact CG-O 3.31Å; L662-D682 PolarHBondContact N-O 3.47Å; K679-D682 WeakPolarHBondContact CB-OD2 3.38Å; D682-Y708 HydrophobicContact CB-CE2 4.05Å; D682-Y708 PolarHBondContact OD2-OH 3.24Å; D682-Y708 VanDerWaalsContact OD2-OH 3.07Å
683	V	88.1	Confident	85.9	Confident	19 Å²	19	52.9 Å²	52.9	12%	0.115	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	139.5	175.3	179.1	0	0	0	0	110.2	Y659 G660 P728 Y730 F731	Y659-V683 HydrophobicContact CD1-CG1 3.88Å; Y659-V683 HydrophobicContact CG-CG1 4.5Å; G660-V683 WeakPolarHBondContact O-CA 3.24Å; V683-P728 HydrophobicContact CG1-CG 3.88Å; V683-P728 HydrophobicContact CG2-CB 4.06Å; V683-P728 HydrophobicContact CG2-CG 4.11Å; V683-Y730 WeakPolarHBondContact CG2-O 3.17Å; V683-F731 HydrophobicContact CB-CD2 4.4Å; V683-F731 HydrophobicContact CG1-CD2 3.91Å; V683-F731 HydrophobicContact CG1-CE2 4.42Å
684	I	89.5	Confident	86.4	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	138.8	171.2	-174.4	156.2	0	0	0	109.4	Y659 G660 L662 L676 L686 V715 V720	Y659-I684 WeakPolarHBondContact CA-O 3.28Å; G660-I684 PolarHBondContact N-O 3.04Å; G660-I684 WeakPolarHBondContact O-CG2 3.43Å; G660-I684 PolarHBondContact O-N 3.02Å; L662-I684 HydrophobicContact CD1-CB 4.06Å; L662-I684 HydrophobicContact CD1-CG2 4.39Å; L662-I684 HydrophobicContact CD2-CB 4.18Å; L662-I684 HydrophobicContact CD2-CD1 4.32Å; L662-I684 HydrophobicContact CD2-CG2 3.8Å; L662-I684 HydrophobicContact CG-CB 4.15Å; L662-I684 HydrophobicContact CG-CG2 3.92Å; L676-I684 HydrophobicContact CD1-CD1 3.64Å; I684-L686 HydrophobicContact CG1-CD2 4.41Å; I684-L686 HydrophobicContact CG2-CD2 4.27Å; I684-V715 HydrophobicContact CD1-CB 3.98Å; I684-V715 HydrophobicContact CD1-CG1 3.95Å; I684-V715 HydrophobicContact CD1-CG2 4.16Å; I684-V720 HydrophobicContact CG2-CG1 4.01Å; I684-V720 HydrophobicContact CG2-CG2 4.42Å
685	A	89	Confident	85.7	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	143.2	167.9	0	0	0	0	0	109.5	L657 K658 Y659 G706 Y707 F731	L657-A685 HydrophobicContact CB-CB 4.44Å; L657-A685 HydrophobicContact CD1-CB 4.04Å; K658-A685 CarbonylContact O-C 3.58Å; Y659-A685 HydrophobicContact CD1-CB 4.12Å; Y659-A685 HydrophobicContact CE1-CB 3.88Å; A685-G706 CarbonylContact O-C 3.42Å; A685-G706 WeakPolarHBondContact O-CA 3.31Å; A685-Y707 PolarHBondContact N-O 2.94Å; A685-Y707 VanDerWaalsContact N-O 3.14Å; A685-Y707 PolarHBondContact O-N 3.43Å; A685-F731 HydrophobicContact CB-CE2 4.05Å; A685-F731 HydrophobicContact CB-CZ 4.22Å
686	L	89.8	Confident	84.6	Confident	10 Å²	10	49.9 Å²	49.9	5%	0.052	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	130.6	179.6	-56.8	-178.5	0	0	0	109.6	L657 K658 I684 Y704 I705 V715 V720 V722	L657-L686 WeakPolarHBondContact CD2-O 3.46Å; K658-L686 PolarHBondContact N-O 2.9Å; K658-L686 WeakPolarHBondContact O-CB 3.1Å; K658-L686 PolarHBondContact O-N 2.89Å; I684-L686 HydrophobicContact CG1-CD2 4.41Å; I684-L686 HydrophobicContact CG2-CD2 4.27Å; L686-Y704 HydrophobicContact CD1-CD2 4.24Å; L686-Y704 HydrophobicContact CD1-CG 4.38Å; L686-I705 WeakPolarHBondContact CA-O 2.95Å; L686-V715 HydrophobicContact CD2-CG1 4.08Å; L686-V720 HydrophobicContact CD1-CG1 4.37Å; L686-V722 HydrophobicContact CD1-CG2 3.98Å
687	L	85.4	Confident	83.3	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.01	28%	0.284	C	S	.	.	S	Bend	trans	-89.1	-24	-173	-84.2	156.3	0	0	0	113.9	L657 I705 I712 L736 L741 M948	L657-L687 HydrophobicContact CD2-CD2 3.94Å; L657-L687 HydrophobicContact CD2-CG 4.28Å; L687-I705 HydrophobicContact CB-CB 4.25Å; L687-I705 HydrophobicContact CB-CG2 4.05Å; L687-I705 HydrophobicContact CD1-CG2 3.84Å; L687-I705 PolarHBondContact N-O 3.46Å; L687-I712 HydrophobicContact CD1-CB 4.41Å; L687-I712 HydrophobicContact CD1-CD1 3.78Å; L687-I712 HydrophobicContact CD1-CG1 3.94Å; L687-I712 HydrophobicContact CD1-CG2 3.64Å; L687-L736 HydrophobicContact CD2-CD2 3.79Å; L687-L741 HydrophobicContact CD1-CD1 4.46Å; L687-L741 HydrophobicContact CD2-CD1 3.89Å; L687-M948 HydrophobicContact CD2-CG 3.97Å; L687-M948 WeakPolarHBondContact O-CE 3.21Å
688	S	81.1	Confident	81.7	Confident	26 Å²	26	62.4 Å²	62.4	18%	0.182	31%	0.306	C	S	.	.			trans	-150.5	155	174.2	-175.7	0	0	0	0	110	E690	S688-E690 WeakPolarHBondContact OG-CB 3.36Å; S688-E690 PolarHBondContact OG-N 3.4Å; S688-E690 VanDerWaalsContact OG-N 3.12Å
689	E	75.5	Confident	80.9	Confident	132 Å²	132	72 Å²	72	62%	0.617	34%	0.342	S	S	*	.	S	Bend	trans	-83	-19.1	170.2	-51	-158.5	-136.4	0	0	111.8	K658	K658-E689 HydrophobicContact CD-CG 4.33Å; K658-E689 VanDerWaalsContact CE-CD 3.44Å; K658-E689 WeakPolarHBondContact CE-OE1 3.26Å; K658-E689 IonicContact NZ-OE1 2.82Å; K658-E689 PolarHBondContact NZ-OE1 3.29Å; K658-E689 IonicContact NZ-OE2 3.6Å; K658-E689 PolarHBondContact NZ-OE2 3.13Å
690	E	82.4	Confident	80.5	Confident	92 Å²	92	69.8 Å²	69.8	43%	0.43	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-63.8	135.3	175.8	-67.6	175.5	-155.7	0	0	110.7	S688 R912 N944	S688-E690 WeakPolarHBondContact OG-CB 3.36Å; S688-E690 PolarHBondContact OG-N 3.4Å; S688-E690 VanDerWaalsContact OG-N 3.12Å; E690-R912 IonicContact OE1-NH1 2.74Å; E690-R912 PolarHBondContact OE1-NH1 2.83Å; E690-R912 IonicContact OE2-CZ 2.63Å; E690-R912 IonicContact OE2-NH1 2.76Å; E690-R912 PolarHBondContact OE2-NH1 2.73Å; E690-N944 PolarHBondContact OE2-OD1 2.98Å
691	K	86.8	Confident	80.3	Confident	91 Å²	91	67.2 Å²	67.2	40%	0.396	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-102.4	116.7	-175.4	-59.2	-179.4	-174.1	179.5	0	110.6	E702 W703 Y704 T717	K691-E702 HydrophobicContact CB-CB 4.44Å; K691-E702 HydrophobicContact CD-CB 4.15Å; K691-E702 HydrophobicContact CD-CG 4.14Å; K691-E702 VanDerWaalsContact CD-OE1 3.22Å; K691-E702 WeakPolarHBondContact CD-OE1 3.31Å; K691-E702 WeakPolarHBondContact CD-OE2 3.32Å; K691-E702 IonicContact NZ-OE1 2.63Å; K691-E702 PolarHBondContact NZ-OE1 2.94Å; K691-E702 IonicContact NZ-OE2 2.99Å; K691-E702 PolarHBondContact NZ-OE2 3.49Å; K691-W703 WeakPolarHBondContact CA-O 3.28Å; K691-Y704 HydrophobicContact CD-CE1 4.44Å; K691-Y704 HydrophobicContact CG-CD1 4.16Å; K691-Y704 HydrophobicContact CG-CE1 3.75Å; K691-T717 HydrophobicContact CD-CG2 4.17Å; K691-T717 HydrophobicContact CG-CG2 4.39Å
692	I	87.7	Confident	80.6	Confident	2 Å²	2	69.3 Å²	69.3	1%	0.01	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	132.7	171.2	-70.7	168.8	0	0	0	109.2	L694 W703 I705 L714 L940 N944	I692-L694 HydrophobicContact CG2-CD2 3.91Å; I692-L694 HydrophobicContact CG2-CG 4.11Å; I692-W703 PolarHBondContact N-O 2.89Å; I692-W703 PolarHBondContact O-N 3.17Å; I692-I705 HydrophobicContact CD1-CD1 3.78Å; I692-I705 HydrophobicContact CD1-CG1 3.78Å; I692-L714 HydrophobicContact CB-CD2 4.46Å; I692-L714 HydrophobicContact CD1-CD2 3.92Å; I692-L714 HydrophobicContact CG2-CD1 4.45Å; I692-L940 HydrophobicContact CD1-CB 4.15Å; I692-L940 HydrophobicContact CG2-CD1 4.15Å; I692-N944 HydrophobicContact CD1-CB 4.44Å
693	R	86.4	Confident	80.7	Confident	107 Å²	107	68.9 Å²	68.9	40%	0.404	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	121.7	176.3	-61.5	-179.2	-67.4	146.2	11.7	108.5	T700 Q916 E917	R693-T700 HydrophobicContact CB-CG2 4.07Å; R693-Q916 PolarHBondContact O-NE2 3.48Å; R693-Q916 PolarHBondContact O-OE1 3.32Å; R693-E917 IonicContact CZ-OE1 3.5Å; R693-E917 IonicContact NH1-OE1 3.54Å; R693-E917 IonicContact NH2-OE1 3.98Å; R693-E917 PolarHBondContact NH2-OE1 3.47Å
694	L	81.8	Confident	80.9	Confident	17 Å²	17	69.8 Å²	69.8	9%	0.089	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	143.9	173	-59.3	-178.8	0	0	0	110.3	I692 G696 K701 W703 L714 H919 T937 L940	I692-L694 HydrophobicContact CG2-CD2 3.91Å; I692-L694 HydrophobicContact CG2-CG 4.11Å; L694-G696 PolarHBondContact O-N 3.48Å; L694-K701 PolarHBondContact N-O 3.43Å; L694-K701 PolarHBondContact O-N 2.92Å; L694-W703 HydrophobicContact CD1-CD2 4.47Å; L694-W703 HydrophobicContact CD1-CG 4.31Å; L694-L714 HydrophobicContact CD1-CD1 3.52Å; L694-L714 HydrophobicContact CG-CD1 4.31Å; L694-H919 VanDerWaalsContact CD2-CE1 3.48Å; L694-H919 WeakPolarHBondContact CD2-CE1 3.33Å; L694-T937 HydrophobicContact CD1-CG2 4.26Å; L694-T937 HydrophobicContact CD2-CG2 4.48Å; L694-L940 HydrophobicContact CD2-CD1 4.34Å
695	K	70.8	Confident	81	Confident	88 Å²	88	69.8 Å²	69.8	38%	0.383	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	117.1	179.8	-153.6	-173.9	171.1	-169.3	0	110.8	D923	K695-D923 WeakPolarHBondContact CA-OD2 3.5Å; K695-D923 HydrophobicContact CB-CB 3.61Å; K695-D923 WeakPolarHBondContact CB-OD2 3.28Å; K695-D923 HydrophobicContact CD-CB 4.05Å; K695-D923 VanDerWaalsContact CD-O 3.29Å; K695-D923 WeakPolarHBondContact CD-O 3.38Å; K695-D923 PolarHBondContact N-OD2 2.99Å; K695-D923 PolarHBondContact NZ-O 3.09Å
696	G	65.6	Low	81	Confident	24 Å²	24	69.8 Å²	69.8	25%	0.247	33%	0.326	C	S	.	.			trans	-73.2	175.1	166	0	0	0	0	0	111.8	L694 L698 W699	L694-G696 PolarHBondContact O-N 3.48Å; G696-L698 PolarHBondContact O-N 3.48Å; G696-W699 WeakPolarHBondContact CA-O 3.27Å; G696-W699 PolarHBondContact N-O 3.2Å
697	Q	59.4	Low	81.1	Confident	191 Å²	191	69.3 Å²	69.3	89%	0.893	32%	0.324	S	S	*	.	S	Bend	trans	-58.2	-20.8	-179.6	-175.5	169.7	-11.7	0	0	114.8
698	L	57.2	Low	81.2	Confident	150 Å²	150	69.7 Å²	69.7	79%	0.785	33%	0.325	S	S	*	.	S	Bend	trans	-134.6	-29.7	177	-67.8	172	0	0	0	113.6	G696	G696-L698 PolarHBondContact O-N 3.48Å
699	W	71.6	Confident	81.4	Confident	207 Å²	207	72.8 Å²	72.8	78%	0.784	34%	0.337	S	S	*	.	S	Bend	trans	-139	143.2	-171.9	-64.1	95.3	0	0	0	111.5	G696	G696-W699 WeakPolarHBondContact CA-O 3.27Å; G696-W699 PolarHBondContact N-O 3.2Å
700	T	80.8	Confident	81.7	Confident	85 Å²	85	67.4 Å²	67.4	52%	0.521	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	138.5	167.6	-51.4	0	0	0	0	110.3	R693	R693-T700 HydrophobicContact CB-CG2 4.07Å
701	K	85.6	Confident	81.9	Confident	95 Å²	95	69 Å²	69	41%	0.413	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	141.5	-177.7	-73.1	177.6	170	-170.2	0	110	L694 W703	L694-K701 PolarHBondContact N-O 3.43Å; L694-K701 PolarHBondContact O-N 2.92Å; K701-W703 HydrophobicContact CB-CZ2 4.43Å; K701-W703 HydrophobicContact CD-CZ2 4.41Å; K701-W703 PolarHBondContact O-NE1 3.43Å
702	E	89.7	Confident	82.1	Confident	78 Å²	78	65 Å²	65	36%	0.364	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	143.7	173.2	-57.2	-179.6	137.6	0	0	111	K691 T717	K691-E702 HydrophobicContact CB-CB 4.44Å; K691-E702 HydrophobicContact CD-CB 4.15Å; K691-E702 HydrophobicContact CD-CG 4.14Å; K691-E702 VanDerWaalsContact CD-OE1 3.22Å; K691-E702 WeakPolarHBondContact CD-OE1 3.31Å; K691-E702 WeakPolarHBondContact CD-OE2 3.32Å; K691-E702 IonicContact NZ-OE1 2.63Å; K691-E702 PolarHBondContact NZ-OE1 2.94Å; K691-E702 IonicContact NZ-OE2 2.99Å; K691-E702 PolarHBondContact NZ-OE2 3.49Å; E702-T717 HydrophobicContact CB-CG2 3.51Å; E702-T717 PolarHBondContact O-N 2.95Å; E702-T717 PolarHBondContact OE2-OG1 3.08Å
703	W	90.9	Very high	82.2	Confident	30 Å²	30	65 Å²	65	11%	0.114	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	138.8	177.5	-53.5	76.3	0	0	0	110.5	L675 K691 I692 L694 K701 L714 V715 H716	L675-W703 HydrophobicContact CD2-CZ3 4.42Å; K691-W703 WeakPolarHBondContact CA-O 3.28Å; I692-W703 PolarHBondContact N-O 2.89Å; I692-W703 PolarHBondContact O-N 3.17Å; L694-W703 HydrophobicContact CD1-CD2 4.47Å; L694-W703 HydrophobicContact CD1-CG 4.31Å; K701-W703 HydrophobicContact CB-CZ2 4.43Å; K701-W703 HydrophobicContact CD-CZ2 4.41Å; K701-W703 PolarHBondContact O-NE1 3.43Å; W703-L714 HydrophobicContact CB-CB 4.01Å; W703-L714 HydrophobicContact CB-CD1 4.43Å; W703-L714 HydrophobicContact CB-CD2 4.21Å; W703-L714 HydrophobicContact CB-CG 4.44Å; W703-L714 HydrophobicContact CD2-CB 4.34Å; W703-L714 HydrophobicContact CE3-CB 3.98Å; W703-L714 HydrophobicContact CG-CB 4.36Å; W703-V715 CarbonylContact C-O 3.53Å; W703-V715 VanDerWaalsContact CA-O 3.23Å; W703-V715 WeakPolarHBondContact CA-O 3.42Å; W703-H716 HydrophobicContact CD2-CB 4.35Å; W703-H716 HydrophobicContact CE3-CB 3.87Å; W703-H716 HydrophobicContact CH2-CB 4.13Å; W703-H716 AromaticContact CZ2-CD2 3.89Å; W703-H716 HydrophobicContact CZ3-CB 3.75Å
704	Y	91.4	Very high	82.4	Confident	39 Å²	39	59.9 Å²	59.9	15%	0.153	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	153.2	164.4	-60.3	-59.9	0	0	0	109.9	L686 K691 L714 V715 T717 V720 V722	L686-Y704 HydrophobicContact CD1-CD2 4.24Å; L686-Y704 HydrophobicContact CD1-CG 4.38Å; K691-Y704 HydrophobicContact CD-CE1 4.44Å; K691-Y704 HydrophobicContact CG-CD1 4.16Å; K691-Y704 HydrophobicContact CG-CE1 3.75Å; Y704-L714 WeakPolarHBondContact O-CA 3.32Å; Y704-V715 PolarHBondContact N-O 2.83Å; Y704-V715 PolarHBondContact O-N 3.4Å; Y704-T717 HydrophobicContact CD1-CG2 4.31Å; Y704-T717 HydrophobicContact CD2-CG2 3.91Å; Y704-T717 HydrophobicContact CE1-CG2 4.09Å; Y704-T717 HydrophobicContact CE2-CG2 3.68Å; Y704-T717 HydrophobicContact CG-CG2 4.21Å; Y704-V720 HydrophobicContact CD2-CB 4.44Å; Y704-V720 HydrophobicContact CD2-CG2 4.5Å; Y704-V722 HydrophobicContact CE2-CG2 4.48Å
705	I	91.9	Very high	82.8	Confident	0 Å²	0	59 Å²	59	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	117.4	165.9	-51.5	172.1	0	0	0	107.5	L686 L687 I692 I712 L714 I941 N944	L686-I705 WeakPolarHBondContact CA-O 2.95Å; L687-I705 HydrophobicContact CB-CB 4.25Å; L687-I705 HydrophobicContact CB-CG2 4.05Å; L687-I705 HydrophobicContact CD1-CG2 3.84Å; L687-I705 PolarHBondContact N-O 3.46Å; I692-I705 HydrophobicContact CD1-CD1 3.78Å; I692-I705 HydrophobicContact CD1-CG1 3.78Å; I705-I712 HydrophobicContact CG2-CG2 3.83Å; I705-L714 HydrophobicContact CG1-CD2 3.94Å; I705-I941 HydrophobicContact CG2-CG2 3.99Å; I705-N944 HydrophobicContact CD1-CB 3.48Å; I705-N944 VanDerWaalsContact CD1-CB 3.48Å
706	G	90.3	Very high	83.7	Confident	0 Å²	0	56 Å²	56	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	157.7	179.7	0	0	0	0	0	113.1	A685 I712 G713	A685-G706 CarbonylContact O-C 3.42Å; A685-G706 WeakPolarHBondContact O-CA 3.31Å; G706-I712 WeakPolarHBondContact O-CA 3.31Å; G706-G713 PolarHBondContact N-O 3.39Å; G706-G713 PolarHBondContact O-N 2.95Å
707	Y	90.4	Very high	84.9	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.2	167.2	173.7	-101.2	0	0	0	109.7	A685 G710 K711 I712 F731 P734 L736 L740	A685-Y707 PolarHBondContact N-O 2.94Å; A685-Y707 VanDerWaalsContact N-O 3.14Å; A685-Y707 PolarHBondContact O-N 3.43Å; Y707-G710 WeakPolarHBondContact OH-CA 3.45Å; Y707-K711 WeakPolarHBondContact CA-O 3.42Å; Y707-I712 HydrophobicContact CD2-CG1 3.78Å; Y707-F731 HydrophobicContact CD1-CZ 4.09Å; Y707-F731 HydrophobicContact CE1-CE1 4.33Å; Y707-F731 HydrophobicContact CE1-CZ 4.19Å; Y707-P734 WeakPolarHBondContact CE1-O 3.35Å; Y707-P734 PolarHBondContact OH-O 3.12Å; Y707-L736 HydrophobicContact CD1-CB 3.97Å; Y707-L736 HydrophobicContact CD2-CD1 3.86Å; Y707-L736 HydrophobicContact CE1-CB 3.85Å; Y707-L736 HydrophobicContact CE2-CD1 3.76Å; Y707-L736 HydrophobicContact CG-CB 4.38Å; Y707-L736 HydrophobicContact CG-CD1 4.26Å; Y707-L736 HydrophobicContact CG-CD2 4.32Å; Y707-L740 HydrophobicContact CE2-CD2 3.89Å; Y707-L740 WeakPolarHBondContact OH-CD2 3.23Å
708	Y	88.4	Confident	86.3	Confident	9 Å²	9	54.5 Å²	54.5	4%	0.035	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	130.9	-175.3	172.9	-91.3	0	0	0	109.7	L662 E677 D682 G710 K711	L662-Y708 HydrophobicContact CD1-CD2 4.13Å; L662-Y708 HydrophobicContact CD1-CE2 3.98Å; E677-Y708 WeakPolarHBondContact O-CD1 3.25Å; E677-Y708 WeakPolarHBondContact O-CE1 3.27Å; D682-Y708 HydrophobicContact CB-CE2 4.05Å; D682-Y708 PolarHBondContact OD2-OH 3.24Å; D682-Y708 VanDerWaalsContact OD2-OH 3.07Å; Y708-G710 VanDerWaalsContact C-N 3.35Å; Y708-G710 PolarHBondContact O-N 3.47Å; Y708-K711 PolarHBondContact N-O 2.87Å; Y708-K711 PolarHBondContact O-N 3.36Å
709	Q	84.2	Confident	87.8	Confident	92 Å²	92	48.3 Å²	48.3	43%	0.43	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.5	52.2	178.3	-65.6	-176.9	-11.2	0	0	114	K711 S732	Q709-K711 VanDerWaalsContact C-N 3.27Å; Q709-K711 PolarHBondContact O-N 2.93Å; Q709-S732 VanDerWaalsContact CG-O 3.31Å; Q709-S732 WeakPolarHBondContact CG-O 3.14Å
710	G	82.4	Confident	88.7	Confident	18 Å²	18	39 Å²	39	19%	0.186	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	6.1	177.4	0	0	0	0	0	115.9	Y707 Y708	Y707-G710 WeakPolarHBondContact OH-CA 3.45Å; Y708-G710 VanDerWaalsContact C-N 3.35Å; Y708-G710 PolarHBondContact O-N 3.47Å
711	K	86.9	Confident	89.1	Confident	125 Å²	125	39.8 Å²	39.8	54%	0.543	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	138	-175.7	-64.2	166.3	-171	161	0	111.3	L676 Y707 Y708 Q709	L676-K711 HydrophobicContact CD2-CB 4.08Å; Y707-K711 WeakPolarHBondContact CA-O 3.42Å; Y708-K711 PolarHBondContact N-O 2.87Å; Y708-K711 PolarHBondContact O-N 3.36Å; Q709-K711 VanDerWaalsContact C-N 3.27Å; Q709-K711 PolarHBondContact O-N 2.93Å
712	I	89.8	Confident	89.2	Confident	9 Å²	9	38.3 Å²	38.3	5%	0.046	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	135.9	168.2	-60.8	179.8	0	0	0	109	L687 I705 G706 Y707 L741 Q744 I745 I941	L687-I712 HydrophobicContact CD1-CB 4.41Å; L687-I712 HydrophobicContact CD1-CD1 3.78Å; L687-I712 HydrophobicContact CD1-CG1 3.94Å; L687-I712 HydrophobicContact CD1-CG2 3.64Å; I705-I712 HydrophobicContact CG2-CG2 3.83Å; G706-I712 WeakPolarHBondContact O-CA 3.31Å; Y707-I712 HydrophobicContact CD2-CG1 3.78Å; I712-L741 HydrophobicContact CD1-CD1 3.38Å; I712-Q744 HydrophobicContact CB-CB 4.19Å; I712-Q744 HydrophobicContact CD1-CB 3.73Å; I712-Q744 HydrophobicContact CD1-CG 4.22Å; I712-Q744 HydrophobicContact CG1-CB 3.96Å; I712-Q744 HydrophobicContact CG1-CG 4.11Å; I712-I745 HydrophobicContact CD1-CG2 4.07Å; I712-I941 HydrophobicContact CG2-CG2 3.67Å
713	G	89.9	Confident	88.7	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.3	-178.8	176.9	0	0	0	0	0	113	Y674 L676 G706	Y674-G713 WeakPolarHBondContact O-CA 3.11Å; L676-G713 WeakPolarHBondContact CD1-O 3.49Å; G706-G713 PolarHBondContact N-O 3.39Å; G706-G713 PolarHBondContact O-N 2.95Å
714	L	90.7	Very high	88	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	134.3	-175.5	-62	176.5	0	0	0	112.6	Y674 L675 L676 I692 L694 W703 Y704 I705 T937 I941	Y674-L714 PolarHBondContact O-N 2.99Å; L675-L714 HydrophobicContact CD2-CB 4.05Å; L675-L714 HydrophobicContact CD2-CD1 4.45Å; L676-L714 PolarHBondContact N-O 3.34Å; L676-L714 VanDerWaalsContact N-O 3.13Å; I692-L714 HydrophobicContact CB-CD2 4.46Å; I692-L714 HydrophobicContact CD1-CD2 3.92Å; I692-L714 HydrophobicContact CG2-CD1 4.45Å; L694-L714 HydrophobicContact CD1-CD1 3.52Å; L694-L714 HydrophobicContact CG-CD1 4.31Å; W703-L714 HydrophobicContact CB-CB 4.01Å; W703-L714 HydrophobicContact CB-CD1 4.43Å; W703-L714 HydrophobicContact CB-CD2 4.21Å; W703-L714 HydrophobicContact CB-CG 4.44Å; W703-L714 HydrophobicContact CD2-CB 4.34Å; W703-L714 HydrophobicContact CE3-CB 3.98Å; W703-L714 HydrophobicContact CG-CB 4.36Å; Y704-L714 WeakPolarHBondContact O-CA 3.32Å; I705-L714 HydrophobicContact CG1-CD2 3.94Å; L714-T937 HydrophobicContact CD1-CG2 3.57Å; L714-I941 HydrophobicContact CD2-CD1 4.47Å; L714-I941 HydrophobicContact CD2-CG1 3.98Å; L714-I941 HydrophobicContact CG-CD1 4.11Å; L714-I941 HydrophobicContact CG-CG1 4.13Å
715	V	90.4	Very high	87.1	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	135.4	172.9	65.6	0	0	0	0	109.7	L662 Y678 I684 L686 W703 Y704 V720	L662-V715 HydrophobicContact CD2-CG2 4Å; Y678-V715 HydrophobicContact CD1-CG2 4.44Å; Y678-V715 HydrophobicContact CE1-CG2 3.76Å; I684-V715 HydrophobicContact CD1-CB 3.98Å; I684-V715 HydrophobicContact CD1-CG1 3.95Å; I684-V715 HydrophobicContact CD1-CG2 4.16Å; L686-V715 HydrophobicContact CD2-CG1 4.08Å; W703-V715 CarbonylContact C-O 3.53Å; W703-V715 VanDerWaalsContact CA-O 3.23Å; W703-V715 WeakPolarHBondContact CA-O 3.42Å; Y704-V715 PolarHBondContact N-O 2.83Å; Y704-V715 PolarHBondContact O-N 3.4Å; V715-V720 HydrophobicContact CB-CG2 4.23Å; V715-V720 HydrophobicContact CG1-CG2 3.76Å; V715-V720 HydrophobicContact CG2-CG2 3.41Å; V715-V720 VanDerWaalsContact CG2-CG2 3.41Å
716	H	90.1	Very high	85.9	Confident	23 Å²	23	50.8 Å²	50.8	11%	0.106	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	132	-174.1	-175.2	-86.6	0	0	0	110.5	W703 K718 N719	W703-H716 HydrophobicContact CD2-CB 4.35Å; W703-H716 HydrophobicContact CE3-CB 3.87Å; W703-H716 HydrophobicContact CH2-CB 4.13Å; W703-H716 AromaticContact CZ2-CD2 3.89Å; W703-H716 HydrophobicContact CZ3-CB 3.75Å; H716-K718 PolarHBondContact ND1-N 3.23Å; H716-K718 PolarHBondContact O-N 2.94Å; H716-N719 HydrophobicContact CB-CB 4.49Å; H716-N719 WeakPolarHBondContact O-CB 3.34Å; H716-N719 PolarHBondContact O-N 3.06Å
717	T	90.1	Very high	85	Confident	15 Å²	15	55.5 Å²	55.5	9%	0.092	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-54.8	-47.1	-171.8	57	0	0	0	0	112.8	K691 E702 Y704 N719 V720	K691-T717 HydrophobicContact CD-CG2 4.17Å; K691-T717 HydrophobicContact CG-CG2 4.39Å; E702-T717 HydrophobicContact CB-CG2 3.51Å; E702-T717 PolarHBondContact O-N 2.95Å; E702-T717 PolarHBondContact OE2-OG1 3.08Å; Y704-T717 HydrophobicContact CD1-CG2 4.31Å; Y704-T717 HydrophobicContact CD2-CG2 3.91Å; Y704-T717 HydrophobicContact CE1-CG2 4.09Å; Y704-T717 HydrophobicContact CE2-CG2 3.68Å; Y704-T717 HydrophobicContact CG-CG2 4.21Å; T717-N719 PolarHBondContact O-N 3.18Å; T717-V720 PolarHBondContact O-N 3.02Å
718	K	88.9	Confident	84	Confident	169 Å²	169	57.3 Å²	57.3	74%	0.735	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-64.3	-1.7	177.4	-53.5	-169.9	179.1	-170.9	0	115.6	H716	H716-K718 PolarHBondContact ND1-N 3.23Å; H716-K718 PolarHBondContact O-N 2.94Å
719	N	90.3	Very high	82.6	Confident	21 Å²	21	62.6 Å²	62.6	11%	0.112	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-106	-0.5	174.7	-68.8	3.8	0	0	0	112.7	L663 Y678 H716 T717	L663-N719 PolarHBondContact N-O 3.02Å; Y678-N719 HydrophobicContact CE2-CB 4.35Å; Y678-N719 PolarHBondContact OH-ND2 3.18Å; H716-N719 HydrophobicContact CB-CB 4.49Å; H716-N719 WeakPolarHBondContact O-CB 3.34Å; H716-N719 PolarHBondContact O-N 3.06Å; T717-N719 PolarHBondContact O-N 3.18Å
720	V	89.8	Confident	81.5	Confident	12 Å²	12	67.9 Å²	67.9	7%	0.073	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	125.4	-179.5	-171	0	0	0	0	109.9	L662 I684 L686 Y704 V715 T717	L662-V720 HydrophobicContact CD2-CG2 4.25Å; I684-V720 HydrophobicContact CG2-CG1 4.01Å; I684-V720 HydrophobicContact CG2-CG2 4.42Å; L686-V720 HydrophobicContact CD1-CG1 4.37Å; Y704-V720 HydrophobicContact CD2-CB 4.44Å; Y704-V720 HydrophobicContact CD2-CG2 4.5Å; V715-V720 HydrophobicContact CB-CG2 4.23Å; V715-V720 HydrophobicContact CG1-CG2 3.76Å; V715-V720 HydrophobicContact CG2-CG2 3.41Å; V715-V720 VanDerWaalsContact CG2-CG2 3.41Å; T717-V720 PolarHBondContact O-N 3.02Å
721	L	88.8	Confident	80.7	Confident	100 Å²	100	68.7 Å²	68.7	52%	0.524	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	114.4	162.5	177.4	66.2	0	0	0	107.7	G660 K661 L663	G660-L721 CarbonylContact C-O 3.58Å; G660-L721 WeakPolarHBondContact CA-O 3.46Å; K661-L721 PolarHBondContact N-O 3.16Å; K661-L721 PolarHBondContact O-N 2.76Å; L663-L721 HydrophobicContact CD1-CB 4.29Å; L663-L721 HydrophobicContact CD2-CB 3.98Å; L663-L721 HydrophobicContact CG-CB 4.26Å
722	V	86.7	Confident	79.5	Confident	65 Å²	65	65.3 Å²	65.3	39%	0.394	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	130.6	176.3	-175.6	0	0	0	0	108.8	K658 L686 Y704	K658-V722 HydrophobicContact CD-CG1 4.49Å; L686-V722 HydrophobicContact CD1-CG2 3.98Å; Y704-V722 HydrophobicContact CE2-CG2 4.48Å
723	V	79.9	Confident	78.4	Confident	97 Å²	97	66.6 Å²	66.6	59%	0.588	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107	-36.1	-172.2	-176.3	0	0	0	0	112	Y659 K661	Y659-V723 PolarHBondContact O-N 3.06Å; K661-V723 HydrophobicContact CB-CG2 4.03Å
724	G	77.2	Confident	77.8	Confident	28 Å²	28	70.2 Å²	70.2	29%	0.289	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	155.8	-164.3	177.1	0	0	0	0	0	113.8	K658 Y659	K658-G724 CarbonylContact C-O 3.57Å; K658-G724 WeakPolarHBondContact CA-O 3.42Å; Y659-G724 PolarHBondContact N-O 2.96Å; Y659-G724 PolarHBondContact O-N 3.21Å
725	K	72.1	Confident	77.3	Confident	160 Å²	160	74 Å²	74	70%	0.696	41%	0.405	S	S	*	.	S	Bend	trans	-88.4	-18.9	171.2	-71.6	-173.7	174.7	-174.3	0	113.7	K658 K727	K658-K725 HydrophobicContact CG-CG 4.25Å; K725-K727 PolarHBondContact O-N 2.93Å
726	V	67.3	Low	77	Confident	124 Å²	124	74.3 Å²	74.3	75%	0.752	41%	0.406	S	S	*	.	S	Bend	trans	-69.2	125	-179	-176.6	0	0	0	0	109.8	Y659 P728	Y659-V726 WeakPolarHBondContact CD2-O 3.47Å; V726-P728 VanDerWaalsContact O-CD 3.23Å; V726-P728 WeakPolarHBondContact O-CD 3.37Å
727	K	70.7	Confident	77	Confident	99 Å²	99	75.4 Å²	75.4	43%	0.43	41%	0.414	S	S	.	.			trans	-64.7	115.8	174.4	-177.5	174.6	176.5	178.8	0	109.7	Y659 K725 D735	Y659-K727 HydrophobicContact CE1-CG 4.29Å; Y659-K727 VanDerWaalsContact CE2-CA 3.49Å; Y659-K727 HydrophobicContact CE2-CB 3.8Å; Y659-K727 HydrophobicContact CE2-CG 4.31Å; K725-K727 PolarHBondContact O-N 2.93Å; K727-D735 WeakPolarHBondContact CE-OD1 3.48Å; K727-D735 IonicContact NZ-OD1 2.71Å; K727-D735 PolarHBondContact NZ-OD1 2.88Å; K727-D735 IonicContact NZ-OD2 2.7Å; K727-D735 PolarHBondContact NZ-OD2 2.99Å
728	P	68.9	Low	76.9	Confident	37 Å²	37	74.7 Å²	74.7	24%	0.24	41%	0.41	C	S	.	.			trans	-69.1	146.7	-179.3	-21.6	35.5	0	0	0	111.8	Y659 V683 V726 Y730	Y659-P728 HydrophobicContact CG-CG 4.36Å; V683-P728 HydrophobicContact CG1-CG 3.88Å; V683-P728 HydrophobicContact CG2-CB 4.06Å; V683-P728 HydrophobicContact CG2-CG 4.11Å; V726-P728 VanDerWaalsContact O-CD 3.23Å; V726-P728 WeakPolarHBondContact O-CD 3.37Å; P728-Y730 PolarHBondContact O-N 2.92Å
729	S	59.2	Low	76.9	Confident	120 Å²	120	68.9 Å²	68.9	84%	0.839	39%	0.39	S	S	*	.	S	Bend	trans	-59.3	-15	-176.1	-34.1	0	0	0	0	115.3
730	Y	61.2	Low	76.8	Confident	203 Å²	203	69.8 Å²	69.8	80%	0.796	40%	0.395	S	S	*	.			trans	-121.3	80.8	177.3	-60.5	-78.8	0	0	0	109.8	V683 P728	V683-Y730 WeakPolarHBondContact CG2-O 3.17Å; P728-Y730 PolarHBondContact O-N 2.92Å
731	F	66.5	Low	76.8	Confident	35 Å²	35	69.2 Å²	69.2	15%	0.154	39%	0.392	C	S	.	.			trans	-103.2	117.7	174	-173.2	-101.3	0	0	0	110.8	Y659 V683 A685 Y707 G733	Y659-F731 HydrophobicContact CD1-CD2 4.14Å; Y659-F731 HydrophobicContact CD1-CE2 4.16Å; Y659-F731 AromaticContact CE1-CD2 3.84Å; Y659-F731 HydrophobicContact CE1-CD2 3.84Å; Y659-F731 AromaticContact CE1-CE2 3.8Å; Y659-F731 HydrophobicContact CE1-CE2 3.8Å; V683-F731 HydrophobicContact CB-CD2 4.4Å; V683-F731 HydrophobicContact CG1-CD2 3.91Å; V683-F731 HydrophobicContact CG1-CE2 4.42Å; A685-F731 HydrophobicContact CB-CE2 4.05Å; A685-F731 HydrophobicContact CB-CZ 4.22Å; Y707-F731 HydrophobicContact CD1-CZ 4.09Å; Y707-F731 HydrophobicContact CE1-CE1 4.33Å; Y707-F731 HydrophobicContact CE1-CZ 4.19Å; F731-G733 PolarHBondContact O-N 2.76Å
732	S	60.2	Low	76.9	Confident	54 Å²	54	64.9 Å²	64.9	38%	0.378	37%	0.369	S	S	.	.			trans	-94.9	83.6	-169.2	-59.4	0	0	0	0	112.8	Q709	Q709-S732 VanDerWaalsContact CG-O 3.31Å; Q709-S732 WeakPolarHBondContact CG-O 3.14Å
733	G	67.6	Low	77	Confident	36 Å²	36	65 Å²	65	37%	0.371	37%	0.365	S	S	.	.	S	Bend	trans	158.5	177.1	172.5	0	0	0	0	0	112.8	F731	F731-G733 PolarHBondContact O-N 2.76Å
734	P	76.8	Confident	77.4	Confident	77 Å²	77	61.2 Å²	61.2	50%	0.5	34%	0.341	S	S	.	.			trans	-62.3	151.9	166.8	27.5	-32.2	0	0	0	110.2	Y707	Y707-P734 WeakPolarHBondContact CE1-O 3.35Å; Y707-P734 PolarHBondContact OH-O 3.12Å
735	D	80.3	Confident	78	Confident	80 Å²	80	60 Å²	60	43%	0.428	33%	0.328	S	S	.	.			trans	-70.1	149	174.1	-86.9	-37.3	0	0	0	111.4	K727 T737	K727-D735 WeakPolarHBondContact CE-OD1 3.48Å; K727-D735 IonicContact NZ-OD1 2.71Å; K727-D735 PolarHBondContact NZ-OD1 2.88Å; K727-D735 IonicContact NZ-OD2 2.7Å; K727-D735 PolarHBondContact NZ-OD2 2.99Å; D735-T737 PolarHBondContact O-N 3.06Å
736	L	84.3	Confident	78.8	Confident	6 Å²	6	52.4 Å²	52.4	3%	0.031	30%	0.295	C	S	.	.			trans	-79.1	104.6	-179.2	-178.5	63.7	0	0	0	110.5	V654 L657 L687 Y707 L740 L741	V654-L736 HydrophobicContact CB-CD2 4.13Å; V654-L736 HydrophobicContact CB-CG 4.27Å; V654-L736 HydrophobicContact CG2-CD2 4.06Å; V654-L736 HydrophobicContact CG2-CG 3.95Å; V654-L736 PolarHBondContact N-O 2.87Å; L657-L736 HydrophobicContact CD1-CB 4.4Å; L657-L736 HydrophobicContact CD1-CD2 4.24Å; L657-L736 HydrophobicContact CD2-CD2 4.4Å; L687-L736 HydrophobicContact CD2-CD2 3.79Å; Y707-L736 HydrophobicContact CD1-CB 3.97Å; Y707-L736 HydrophobicContact CD2-CD1 3.86Å; Y707-L736 HydrophobicContact CE1-CB 3.85Å; Y707-L736 HydrophobicContact CE2-CD1 3.76Å; Y707-L736 HydrophobicContact CG-CB 4.38Å; Y707-L736 HydrophobicContact CG-CD1 4.26Å; Y707-L736 HydrophobicContact CG-CD2 4.32Å; L736-L740 HydrophobicContact CD1-CB 4.38Å; L736-L740 HydrophobicContact CD1-CD2 4.3Å; L736-L740 HydrophobicContact CD1-CG 4.3Å; L736-L741 HydrophobicContact CD1-CB 4.05Å; L736-L741 HydrophobicContact CG-CB 4.46Å
737	T	89.6	Confident	79.7	Confident	45 Å²	45	51.1 Å²	51.1	28%	0.276	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-82.1	157.8	165.3	64.6	0	0	0	0	111.5	R652 D735 S739 L740 L741	R652-T737 CarbonylContact O-C 3.54Å; R652-T737 WeakPolarHBondContact O-CA 3.27Å; D735-T737 PolarHBondContact O-N 3.06Å; T737-S739 VanDerWaalsContact C-N 3.3Å; T737-S739 PolarHBondContact O-N 2.84Å; T737-S739 PolarHBondContact OG1-OG 2.75Å; T737-L740 PolarHBondContact O-N 3.25Å; T737-L740 WeakPolarHBondContact OG1-CB 3.34Å; T737-L740 PolarHBondContact OG1-N 2.74Å; T737-L740 VanDerWaalsContact OG1-N 3.13Å; T737-L741 WeakPolarHBondContact O-CB 3.48Å; T737-L741 PolarHBondContact O-N 3.15Å
738	T	89.3	Confident	80.4	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.3	-34	171.5	37.7	0	0	0	0	113.5	Q650 D651 R652 V654 L741 L742 L949 A952 A953	Q650-T738 PolarHBondContact O-OG1 2.89Å; D651-T738 VanDerWaalsContact CA-OG1 3.31Å; D651-T738 WeakPolarHBondContact CA-OG1 3.13Å; D651-T738 PolarHBondContact OD1-N 2.63Å; D651-T738 PolarHBondContact OD1-OG1 2.77Å; R652-T738 PolarHBondContact N-OG1 2.99Å; R652-T738 PolarHBondContact O-N 3.23Å; R652-T738 PolarHBondContact O-OG1 3.24Å; V654-T738 HydrophobicContact CG2-CG2 4.11Å; T738-L741 PolarHBondContact O-N 3.23Å; T738-L742 VanDerWaalsContact O-CB 3.28Å; T738-L742 WeakPolarHBondContact O-CB 3.32Å; T738-L742 PolarHBondContact O-N 2.9Å; T738-L949 HydrophobicContact CG2-CD1 4.49Å; T738-A952 HydrophobicContact CG2-CB 3.47Å; T738-A952 VanDerWaalsContact CG2-CB 3.47Å; T738-A953 HydrophobicContact CG2-CB 3.98Å
739	S	88.1	Confident	81.1	Confident	47 Å²	47	44.7 Å²	44.7	33%	0.329	25%	0.245	S	C	.	.	H	α-helix	trans	-65.3	-44.3	173.8	57.7	0	0	0	0	111.6	D651 T737 L742 E743	D651-S739 VanDerWaalsContact CG-CB 3.43Å; D651-S739 VanDerWaalsContact OD1-CB 3.32Å; D651-S739 WeakPolarHBondContact OD1-CB 3.16Å; D651-S739 PolarHBondContact OD1-N 2.91Å; D651-S739 PolarHBondContact OD1-OG 2.86Å; D651-S739 VanDerWaalsContact OD1-OG 3.13Å; D651-S739 WeakPolarHBondContact OD2-CB 3.5Å; D651-S739 PolarHBondContact OD2-OG 2.91Å; T737-S739 VanDerWaalsContact C-N 3.3Å; T737-S739 PolarHBondContact O-N 2.84Å; T737-S739 PolarHBondContact OG1-OG 2.75Å; S739-L742 PolarHBondContact O-N 2.89Å; S739-E743 WeakPolarHBondContact O-CB 3.36Å; S739-E743 PolarHBondContact O-N 2.92Å
740	L	88.2	Confident	82.1	Confident	40 Å²	40	42.4 Å²	42.4	21%	0.209	22%	0.22	C	C	.	.	H	α-helix	trans	-65.8	-43.4	175.3	-177.6	61.9	0	0	0	110.8	Y707 L736 T737 L742 E743 Q744	Y707-L740 HydrophobicContact CE2-CD2 3.89Å; Y707-L740 WeakPolarHBondContact OH-CD2 3.23Å; L736-L740 HydrophobicContact CD1-CB 4.38Å; L736-L740 HydrophobicContact CD1-CD2 4.3Å; L736-L740 HydrophobicContact CD1-CG 4.3Å; T737-L740 PolarHBondContact O-N 3.25Å; T737-L740 WeakPolarHBondContact OG1-CB 3.34Å; T737-L740 PolarHBondContact OG1-N 2.74Å; T737-L740 VanDerWaalsContact OG1-N 3.13Å; L740-L742 PolarHBondContact O-N 2.91Å; L740-E743 PolarHBondContact O-N 2.91Å; L740-Q744 HydrophobicContact CD1-CG 4.08Å; L740-Q744 HydrophobicContact CG-CG 4.29Å; L740-Q744 WeakPolarHBondContact O-CB 3.39Å; L740-Q744 VanDerWaalsContact O-CG 3.27Å; L740-Q744 WeakPolarHBondContact O-CG 3.29Å; L740-Q744 PolarHBondContact O-N 2.98Å
741	L	89.8	Confident	83.1	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-53.6	-53.3	173.7	177.2	57.1	0	0	0	110.9	V654 L687 I712 L736 T737 T738 E743 Q744 I745 L949	V654-L741 HydrophobicContact CG2-CD2 4.08Å; L687-L741 HydrophobicContact CD1-CD1 4.46Å; L687-L741 HydrophobicContact CD2-CD1 3.89Å; I712-L741 HydrophobicContact CD1-CD1 3.38Å; L736-L741 HydrophobicContact CD1-CB 4.05Å; L736-L741 HydrophobicContact CG-CB 4.46Å; T737-L741 WeakPolarHBondContact O-CB 3.48Å; T737-L741 PolarHBondContact O-N 3.15Å; T738-L741 PolarHBondContact O-N 3.23Å; L741-E743 PolarHBondContact O-N 2.76Å; L741-Q744 PolarHBondContact O-N 3.24Å; L741-I745 HydrophobicContact CD1-CG2 3.91Å; L741-I745 WeakPolarHBondContact O-CG1 3.43Å; L741-I745 WeakPolarHBondContact O-CG2 3.36Å; L741-I745 PolarHBondContact O-N 2.98Å; L741-L949 HydrophobicContact CB-CD1 4.4Å; L741-L949 HydrophobicContact CD2-CB 3.89Å; L741-L949 HydrophobicContact CD2-CD1 3.89Å; L741-L949 HydrophobicContact CG-CB 4.39Å; L741-L949 HydrophobicContact CG-CD1 4.04Å
742	L	91.1	Very high	83.9	Confident	9 Å²	9	35.5 Å²	35.5	5%	0.047	19%	0.194	C	C	.	.	H	α-helix	trans	-57.9	-45.6	177	179.6	61	0	0	0	112.6	F649 T738 S739 L740 L746 T827 L830 K831 L949	F649-L742 HydrophobicContact CE2-CD2 3.94Å; F649-L742 HydrophobicContact CZ-CD2 3.88Å; T738-L742 VanDerWaalsContact O-CB 3.28Å; T738-L742 WeakPolarHBondContact O-CB 3.32Å; T738-L742 PolarHBondContact O-N 2.9Å; S739-L742 PolarHBondContact O-N 2.89Å; L740-L742 PolarHBondContact O-N 2.91Å; L742-L746 HydrophobicContact CD1-CD1 3.61Å; L742-L746 HydrophobicContact CD1-CG 4.08Å; L742-L746 HydrophobicContact CG-CD1 4.27Å; L742-L746 WeakPolarHBondContact O-CB 3.48Å; L742-L746 WeakPolarHBondContact O-CG 3.47Å; L742-L746 PolarHBondContact O-N 2.92Å; L742-T827 HydrophobicContact CD2-CG2 4.09Å; L742-L830 HydrophobicContact CD1-CB 3.88Å; L742-L830 HydrophobicContact CD1-CD1 3.46Å; L742-L830 VanDerWaalsContact CD1-CD1 3.46Å; L742-L830 HydrophobicContact CD1-CG 4.31Å; L742-K831 HydrophobicContact CD2-CG 4.35Å; L742-L949 HydrophobicContact CB-CD1 4.27Å; L742-L949 HydrophobicContact CD1-CD2 3.93Å
743	E	88.6	Confident	85.1	Confident	69 Å²	69	33.9 Å²	33.9	32%	0.322	18%	0.182	S	C	.	.	H	α-helix	trans	-64.4	-41.8	179.7	-155.8	-70.5	125	0	0	112	S739 L740 L741 R747 K823	S739-E743 WeakPolarHBondContact O-CB 3.36Å; S739-E743 PolarHBondContact O-N 2.92Å; L740-E743 PolarHBondContact O-N 2.91Å; L741-E743 PolarHBondContact O-N 2.76Å; E743-R747 IonicContact OE2-CZ 3.74Å; E743-R747 IonicContact OE2-NE 2.83Å; E743-R747 IonicContact OE2-NH2 3.63Å; E743-R747 PolarHBondContact OE2-NH2 2.81Å; E743-K823 IonicContact OE1-NZ 3.68Å; E743-K823 PolarHBondContact OE1-NZ 3.14Å
744	Q	88.1	Confident	85.9	Confident	16 Å²	16	32.6 Å²	32.6	8%	0.075	17%	0.166	C	C	.	.	H	α-helix	trans	-69.1	-47.7	177.8	-68.4	-48.5	-68.3	0	0	112	I712 L740 L741 L746 R747	I712-Q744 HydrophobicContact CB-CB 4.19Å; I712-Q744 HydrophobicContact CD1-CB 3.73Å; I712-Q744 HydrophobicContact CD1-CG 4.22Å; I712-Q744 HydrophobicContact CG1-CB 3.96Å; I712-Q744 HydrophobicContact CG1-CG 4.11Å; L740-Q744 HydrophobicContact CD1-CG 4.08Å; L740-Q744 HydrophobicContact CG-CG 4.29Å; L740-Q744 WeakPolarHBondContact O-CB 3.39Å; L740-Q744 VanDerWaalsContact O-CG 3.27Å; L740-Q744 WeakPolarHBondContact O-CG 3.29Å; L740-Q744 PolarHBondContact O-N 2.98Å; L741-Q744 PolarHBondContact O-N 3.24Å; Q744-L746 VanDerWaalsContact C-N 3.34Å; Q744-L746 PolarHBondContact O-N 2.92Å; Q744-R747 VanDerWaalsContact CD-CZ 3.48Å; Q744-R747 WeakPolarHBondContact O-CB 3.47Å; Q744-R747 WeakPolarHBondContact O-CD 3.33Å; Q744-R747 VanDerWaalsContact O-CG 3.28Å; Q744-R747 WeakPolarHBondContact O-CG 3.43Å; Q744-R747 PolarHBondContact O-N 2.77Å
745	I	90.2	Very high	86.2	Confident	3 Å²	3	30.7 Å²	30.7	2%	0.015	15%	0.151	C	C	.	.	H	α-helix	trans	-72.8	-24.2	-173.4	70.2	176	0	0	0	113.5	I712 L741 R747 P748 L942 L946 L949	I712-I745 HydrophobicContact CD1-CG2 4.07Å; L741-I745 HydrophobicContact CD1-CG2 3.91Å; L741-I745 WeakPolarHBondContact O-CG1 3.43Å; L741-I745 WeakPolarHBondContact O-CG2 3.36Å; L741-I745 PolarHBondContact O-N 2.98Å; I745-R747 VanDerWaalsContact C-N 3.33Å; I745-P748 WeakPolarHBondContact O-CD 3.5Å; I745-L942 HydrophobicContact CB-CB 4.33Å; I745-L942 HydrophobicContact CB-CG 4.28Å; I745-L942 HydrophobicContact CG1-CG 4.39Å; I745-L942 WeakPolarHBondContact O-CB 3.2Å; I745-L942 WeakPolarHBondContact O-CD1 3.27Å; I745-L942 WeakPolarHBondContact O-CG 3.37Å; I745-L946 HydrophobicContact CD1-CD2 4.18Å; I745-L949 HydrophobicContact CD1-CD2 3.95Å
746	L	90.1	Very high	86.4	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	0.2	177.6	-68.2	-176.2	0	0	0	114.8	L742 Q744 P748 C749 K823 M826 T827 L830 L942	L742-L746 HydrophobicContact CD1-CD1 3.61Å; L742-L746 HydrophobicContact CD1-CG 4.08Å; L742-L746 HydrophobicContact CG-CD1 4.27Å; L742-L746 WeakPolarHBondContact O-CB 3.48Å; L742-L746 WeakPolarHBondContact O-CG 3.47Å; L742-L746 PolarHBondContact O-N 2.92Å; Q744-L746 VanDerWaalsContact C-N 3.34Å; Q744-L746 PolarHBondContact O-N 2.92Å; L746-P748 VanDerWaalsContact C-CD 3.42Å; L746-C749 WeakPolarHBondContact O-CB 3.41Å; L746-C749 PolarHBondContact O-N 2.97Å; L746-C749 VanDerWaalsContact O-N 3.14Å; L746-K823 HydrophobicContact CB-CG 4.08Å; L746-M826 HydrophobicContact CD1-CB 4.06Å; L746-M826 HydrophobicContact CD2-CB 3.63Å; L746-M826 HydrophobicContact CD2-CG 4.47Å; L746-T827 VanDerWaalsContact CD1-OG1 3.22Å; L746-T827 WeakPolarHBondContact CD1-OG1 3.44Å; L746-L830 HydrophobicContact CD1-CD1 4.22Å; L746-L830 HydrophobicContact CD2-CD1 3.83Å; L746-L830 HydrophobicContact CG-CD1 4.23Å; L746-L942 HydrophobicContact CD2-CD1 4Å
747	R	85.1	Confident	86.2	Confident	97 Å²	97	30.1 Å²	30.1	37%	0.366	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-52.6	-41.2	173.7	-70.4	175.2	174.9	-157.4	-11.2	116.2	E743 Q744 I745 C749	E743-R747 IonicContact OE2-CZ 3.74Å; E743-R747 IonicContact OE2-NE 2.83Å; E743-R747 IonicContact OE2-NH2 3.63Å; E743-R747 PolarHBondContact OE2-NH2 2.81Å; Q744-R747 VanDerWaalsContact CD-CZ 3.48Å; Q744-R747 WeakPolarHBondContact O-CB 3.47Å; Q744-R747 WeakPolarHBondContact O-CD 3.33Å; Q744-R747 VanDerWaalsContact O-CG 3.28Å; Q744-R747 WeakPolarHBondContact O-CG 3.43Å; Q744-R747 PolarHBondContact O-N 2.77Å; I745-R747 VanDerWaalsContact C-N 3.33Å; R747-C749 VanDerWaalsContact C-N 3.28Å; R747-C749 PolarHBondContact O-N 2.88Å
748	P	84.8	Confident	86	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.006	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-65.8	-27.3	176.8	29.6	-38.3	0	0	0	113.3	Y674 I745 L746 K750 F751 H935 L942	Y674-P748 WeakPolarHBondContact OH-CA 3.45Å; I745-P748 WeakPolarHBondContact O-CD 3.5Å; L746-P748 VanDerWaalsContact C-CD 3.42Å; P748-K750 PolarHBondContact O-N 2.87Å; P748-F751 PolarHBondContact O-N 2.86Å; P748-H935 HydrophobicContact CB-CB 4.16Å; P748-H935 WeakPolarHBondContact CB-O 3.39Å; P748-L942 HydrophobicContact CG-CD1 4.09Å
749	C	83.4	Confident	85.9	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-64	-14.7	-176.2	-58.1	0	0	0	0	113.7	L746 R747 F751 Q822 L942	L746-C749 WeakPolarHBondContact O-CB 3.41Å; L746-C749 PolarHBondContact O-N 2.97Å; L746-C749 VanDerWaalsContact O-N 3.14Å; R747-C749 VanDerWaalsContact C-N 3.28Å; R747-C749 PolarHBondContact O-N 2.88Å; C749-F751 PolarHBondContact O-N 3.44Å; C749-Q822 VanDerWaalsContact O-CB 3.23Å; C749-Q822 WeakPolarHBondContact O-CB 3.41Å; C749-Q822 PolarHBondContact O-OE1 2.8Å; C749-L942 VanDerWaalsContact SG-CD1 3.53Å
750	K	81.6	Confident	85.7	Confident	73 Å²	73	29.9 Å²	29.9	32%	0.317	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-73.1	-6.2	171.7	-62.9	-150.5	177.5	-153.9	0	114.3	P748 S820 K823	P748-K750 PolarHBondContact O-N 2.87Å; K750-S820 WeakPolarHBondContact CD-OG 3.4Å; K750-S820 WeakPolarHBondContact CE-OG 3.47Å; K750-S820 WeakPolarHBondContact CG-OG 3.48Å; K750-S820 PolarHBondContact NZ-OG 2.9Å; K750-K823 HydrophobicContact CG-CB 4.38Å
751	F	80.9	Confident	85.6	Confident	92 Å²	92	28.7 Å²	28.7	40%	0.404	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-133.4	24.3	-167.8	-54.4	-86	0	0	0	113.5	P748 C749 H935	P748-F751 PolarHBondContact O-N 2.86Å; C749-F751 PolarHBondContact O-N 3.44Å; F751-H935 HydrophobicContact CB-CB 4.17Å; F751-H935 AromaticContact CD1-CE1 3.99Å; F751-H935 AromaticContact CD1-NE2 3.71Å; F751-H935 AromaticContact CD2-CD2 3.99Å; F751-H935 AromaticContact CD2-CE1 3.26Å; F751-H935 WeakPolarHBondContact CD2-CE1 3.49Å; F751-H935 AromaticContact CD2-CG 3.73Å; F751-H935 AromaticContact CD2-ND1 3.27Å; F751-H935 VanDerWaalsContact CD2-ND1 3.27Å; F751-H935 WeakPolarHBondContact CD2-ND1 3.35Å; F751-H935 AromaticContact CD2-NE2 3.76Å; F751-H935 AromaticContact CE2-CE1 3.36Å; F751-H935 WeakPolarHBondContact CE2-CE1 3.45Å; F751-H935 AromaticContact CE2-ND1 3.73Å; F751-H935 AromaticContact CG-CD2 3.64Å; F751-H935 AromaticContact CG-CE1 3.59Å; F751-H935 AromaticContact CG-CG 3.77Å; F751-H935 AromaticContact CG-ND1 3.75Å; F751-H935 AromaticContact CG-NE2 3.57Å; F751-H935 AromaticContact CZ-CE1 3.77Å
752	L	84.2	Confident	85.3	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.151	C	C	.	.			trans	-112.5	138.2	179	-54.6	176.7	0	0	0	110.5	S245 Q822 F845 T849 W933	S245-L752 VanDerWaalsContact CB-O 3.31Å; S245-L752 WeakPolarHBondContact CB-O 3.45Å; L752-Q822 PolarHBondContact O-NE2 3.03Å; L752-Q822 PolarHBondContact O-OE1 2.77Å; L752-Q822 VanDerWaalsContact O-OE1 3.06Å; L752-F845 HydrophobicContact CB-CB 3.95Å; L752-F845 HydrophobicContact CB-CD2 4.42Å; L752-F845 HydrophobicContact CD1-CB 3.95Å; L752-F845 HydrophobicContact CD1-CD2 4.39Å; L752-T849 VanDerWaalsContact CA-OG1 3.31Å; L752-T849 WeakPolarHBondContact CA-OG1 3.23Å; L752-W933 HydrophobicContact CD2-CZ2 3.92Å
753	T	84.5	Confident	85	Confident	20 Å²	20	29.7 Å²	29.7	12%	0.123	15%	0.149	C	C	.	.			trans	-72.6	142.2	171.6	-47.2	0	0	0	0	109.9	L848 T849 V852	T753-L848 HydrophobicContact CG2-CD2 3.95Å; T753-L848 HydrophobicContact CG2-CG 4.06Å; T753-T849 PolarHBondContact N-OG1 3.27Å; T753-V852 HydrophobicContact CG2-CG2 4.39Å
754	Y	84.8	Confident	84.8	Confident	9 Å²	9	27.2 Å²	27.2	4%	0.035	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-145.4	156.6	180	71.4	-77	0	0	0	113	S247 L248 Y756 V759 F821 Q822 F845	S247-Y754 PolarHBondContact OG-O 3.31Å; L248-Y754 PolarHBondContact N-O 2.87Å; Y754-Y756 HydrophobicContact CE2-CD2 4.35Å; Y754-V759 HydrophobicContact CD2-CG2 4.03Å; Y754-F821 HydrophobicContact CD2-CE1 4.31Å; Y754-F821 AromaticContact CE2-CD1 3.75Å; Y754-F821 HydrophobicContact CE2-CD1 3.75Å; Y754-F821 AromaticContact CE2-CE1 3.62Å; Y754-F821 HydrophobicContact CE2-CE1 3.62Å; Y754-F821 AromaticContact CZ-CD1 3.72Å; Y754-Q822 HydrophobicContact CD1-CG 3.9Å; Y754-Q822 HydrophobicContact CE1-CG 4.09Å; Y754-Q822 HydrophobicContact CG-CG 4.33Å; Y754-F845 VanDerWaalsContact CB-CE1 3.47Å; Y754-F845 HydrophobicContact CG-CZ 4.42Å
755	I	83	Confident	84.6	Confident	38 Å²	38	32.5 Å²	32.5	20%	0.195	16%	0.162	C	C	.	.			trans	-103.1	109.4	173.4	-42.9	-173.2	0	0	0	108.3	L248 A757 S758 V759 L848	L248-I755 HydrophobicContact CD1-CD1 3.78Å; L248-I755 HydrophobicContact CD1-CG1 3.72Å; L248-I755 HydrophobicContact CG-CG1 4.19Å; I755-A757 HydrophobicContact CG2-CB 4.32Å; I755-A757 PolarHBondContact O-N 3.41Å; I755-S758 PolarHBondContact O-N 2.86Å; I755-S758 VanDerWaalsContact O-N 3.08Å; I755-V759 WeakPolarHBondContact O-CG2 3.12Å; I755-V759 PolarHBondContact O-N 3.02Å; I755-V759 VanDerWaalsContact O-N 3.08Å; I755-L848 HydrophobicContact CD1-CD2 4.2Å; I755-L848 HydrophobicContact CG1-CD2 3.55Å
756	Y	84	Confident	84.2	Confident	22 Å²	22	35.4 Å²	35.4	9%	0.086	18%	0.178	C	C	.	.	H	α-helix	trans	-58.2	-35.8	-177.2	179.7	-102.9	0	0	0	112.7	S247 Y754 V759 R760 L803 E804 K807 F821	S247-Y756 WeakPolarHBondContact OG-CB 3.21Å; S247-Y756 PolarHBondContact OG-N 3.26Å; Y754-Y756 HydrophobicContact CE2-CD2 4.35Å; Y756-V759 PolarHBondContact O-N 2.83Å; Y756-R760 WeakPolarHBondContact O-CB 3.46Å; Y756-R760 PolarHBondContact O-N 2.89Å; Y756-L803 HydrophobicContact CE2-CD2 4.33Å; Y756-L803 HydrophobicContact CE2-CG 4.13Å; Y756-L803 PolarHBondContact OH-O 2.79Å; Y756-E804 WeakPolarHBondContact OH-CA 3.48Å; Y756-E804 WeakPolarHBondContact OH-CG 3.35Å; Y756-E804 PolarHBondContact OH-N 3.06Å; Y756-K807 HydrophobicContact CD2-CD 3.92Å; Y756-K807 HydrophobicContact CE1-CD 4.46Å; Y756-K807 HydrophobicContact CE2-CB 4.19Å; Y756-K807 HydrophobicContact CE2-CD 3.81Å; Y756-K807 HydrophobicContact CE2-CG 4.35Å; Y756-K807 HydrophobicContact CG-CD 4.31Å; Y756-F821 HydrophobicContact CD2-CE1 4.16Å; Y756-F821 AromaticContact CD2-CZ 3.81Å; Y756-F821 HydrophobicContact CD2-CZ 3.81Å; Y756-F821 HydrophobicContact CE2-CE1 4.44Å; Y756-F821 HydrophobicContact CE2-CE2 4.08Å; Y756-F821 AromaticContact CE2-CZ 3.64Å; Y756-F821 HydrophobicContact CE2-CZ 3.64Å
757	A	81.4	Confident	84	Confident	52 Å²	52	35.9 Å²	35.9	43%	0.43	18%	0.18	S	C	.	.	H	α-helix	trans	-62	-42.5	175.5	0	0	0	0	0	113.1	I755 T761	I755-A757 HydrophobicContact CG2-CB 4.32Å; I755-A757 PolarHBondContact O-N 3.41Å; A757-T761 PolarHBondContact O-N 2.92Å; A757-T761 PolarHBondContact O-OG1 2.81Å
758	S	85.2	Confident	83.9	Confident	54 Å²	54	34.3 Å²	34.3	38%	0.378	18%	0.184	S	C	.	.	H	α-helix	trans	-66.6	-44.5	176.6	-52.1	0	0	0	0	111.1	I755 R760 T761 L762	I755-S758 PolarHBondContact O-N 2.86Å; I755-S758 VanDerWaalsContact O-N 3.08Å; S758-R760 PolarHBondContact O-N 2.91Å; S758-T761 WeakPolarHBondContact O-CB 3.03Å; S758-T761 PolarHBondContact O-N 3.23Å; S758-L762 PolarHBondContact O-N 3.06Å
759	V	86.1	Confident	84	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.006	19%	0.193	C	C	.	.	H	α-helix	trans	-57	-50	175.3	177.7	0	0	0	0	111.2	Y754 I755 Y756 T761 L762 L763 L803 F821 L825 L841 F845	Y754-V759 HydrophobicContact CD2-CG2 4.03Å; I755-V759 WeakPolarHBondContact O-CG2 3.12Å; I755-V759 PolarHBondContact O-N 3.02Å; I755-V759 VanDerWaalsContact O-N 3.08Å; Y756-V759 PolarHBondContact O-N 2.83Å; V759-T761 PolarHBondContact O-N 3.4Å; V759-L762 PolarHBondContact O-N 3.08Å; V759-L763 HydrophobicContact CG1-CD1 4.08Å; V759-L763 VanDerWaalsContact O-CD1 3.31Å; V759-L763 WeakPolarHBondContact O-CD1 3.43Å; V759-L763 PolarHBondContact O-N 3.19Å; V759-L803 HydrophobicContact CG1-CD2 4.34Å; V759-F821 HydrophobicContact CG1-CE1 4.47Å; V759-L825 HydrophobicContact CG1-CD2 3.54Å; V759-L841 HydrophobicContact CG2-CD2 4.19Å; V759-F845 HydrophobicContact CG2-CE1 3.54Å; V759-F845 HydrophobicContact CG2-CZ 3.59Å
760	R	85.4	Confident	84.3	Confident	31 Å²	31	37 Å²	37	12%	0.117	20%	0.199	C	C	.	.	H	α-helix	trans	-55.1	-51.2	176.2	-178.4	-172.6	-170.7	137.7	15	111.3	Y756 S758 L762 L763 M764 A800 L803 E804	Y756-R760 WeakPolarHBondContact O-CB 3.46Å; Y756-R760 PolarHBondContact O-N 2.89Å; S758-R760 PolarHBondContact O-N 2.91Å; R760-L762 PolarHBondContact O-N 3.09Å; R760-L763 PolarHBondContact O-N 3.39Å; R760-M764 HydrophobicContact CG-CG 4.36Å; R760-M764 HydrophobicContact CG-SD 3.65Å; R760-M764 VanDerWaalsContact O-CG 3.24Å; R760-M764 WeakPolarHBondContact O-CG 3.28Å; R760-M764 PolarHBondContact O-N 2.86Å; R760-A800 HydrophobicContact CG-CB 4.34Å; R760-L803 HydrophobicContact CB-CD2 4Å; R760-L803 HydrophobicContact CG-CD2 4.39Å; R760-E804 IonicContact CZ-OE1 3.91Å; R760-E804 IonicContact CZ-OE2 2.65Å; R760-E804 VanDerWaalsContact NH1-CD 3.29Å; R760-E804 IonicContact NH1-OE1 2.68Å; R760-E804 PolarHBondContact NH1-OE1 2.82Å; R760-E804 IonicContact NH1-OE2 3.5Å; R760-E804 VanDerWaalsContact NH2-CD 3.3Å; R760-E804 IonicContact NH2-OE1 2.7Å; R760-E804 PolarHBondContact NH2-OE1 2.95Å; R760-E804 IonicContact NH2-OE2 3.72Å; R760-E804 PolarHBondContact NH2-OE2 2.86Å
761	T	84.4	Confident	84.7	Confident	15 Å²	15	36.6 Å²	36.6	9%	0.092	20%	0.195	C	C	.	.	H	α-helix	trans	-53.3	-53.7	178.8	-48.2	0	0	0	0	111.1	R285 A757 S758 V759 L763 M764 E765	R285-T761 PolarHBondContact NH1-OG1 2.87Å; R285-T761 PolarHBondContact NH2-OG1 3Å; A757-T761 PolarHBondContact O-N 2.92Å; A757-T761 PolarHBondContact O-OG1 2.81Å; S758-T761 WeakPolarHBondContact O-CB 3.03Å; S758-T761 PolarHBondContact O-N 3.23Å; V759-T761 PolarHBondContact O-N 3.4Å; T761-L763 VanDerWaalsContact C-N 3.28Å; T761-L763 PolarHBondContact O-N 2.77Å; T761-M764 PolarHBondContact O-N 3.18Å; T761-E765 HydrophobicContact CG2-CG 4.35Å; T761-E765 VanDerWaalsContact CG2-OE1 3.27Å; T761-E765 WeakPolarHBondContact CG2-OE1 3.39Å; T761-E765 WeakPolarHBondContact O-CG 3.49Å; T761-E765 PolarHBondContact O-N 3.09Å
762	L	83.4	Confident	85	Confident	30 Å²	30	34 Å²	34	16%	0.157	19%	0.188	C	C	.	.	H	α-helix	trans	-68.6	-28.9	-172	-157.1	72.6	0	0	0	112.1	S758 V759 R760 N766 L837 R840 L841	S758-L762 PolarHBondContact O-N 3.06Å; V759-L762 PolarHBondContact O-N 3.08Å; R760-L762 PolarHBondContact O-N 3.09Å; L762-N766 VanDerWaalsContact O-CB 3.3Å; L762-N766 WeakPolarHBondContact O-CB 3.36Å; L762-N766 PolarHBondContact O-N 3.17Å; L762-N766 PolarHBondContact O-ND2 2.87Å; L762-L837 HydrophobicContact CB-CD1 4.3Å; L762-L837 HydrophobicContact CD2-CD1 3.53Å; L762-L837 HydrophobicContact CG-CD1 3.54Å; L762-R840 HydrophobicContact CD2-CB 4.04Å; L762-L841 HydrophobicContact CB-CD2 4.42Å; L762-L841 HydrophobicContact CD2-CD2 3.71Å; L762-L841 HydrophobicContact CD2-CG 3.93Å
763	L	85.7	Confident	85.3	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-71.6	-45.6	171.2	-94.5	75.6	0	0	0	112.4	V759 R760 T761 E765 N766 L767 F773 V799 L803 L825 L829 L837 L841	V759-L763 HydrophobicContact CG1-CD1 4.08Å; V759-L763 VanDerWaalsContact O-CD1 3.31Å; V759-L763 WeakPolarHBondContact O-CD1 3.43Å; V759-L763 PolarHBondContact O-N 3.19Å; R760-L763 PolarHBondContact O-N 3.39Å; T761-L763 VanDerWaalsContact C-N 3.28Å; T761-L763 PolarHBondContact O-N 2.77Å; L763-E765 VanDerWaalsContact C-N 3.28Å; L763-E765 PolarHBondContact O-N 2.8Å; L763-N766 PolarHBondContact O-N 3.23Å; L763-L767 HydrophobicContact CB-CD1 4.1Å; L763-L767 HydrophobicContact CD2-CD1 3.78Å; L763-L767 HydrophobicContact CG-CD1 3.74Å; L763-L767 HydrophobicContact CG-CG 4.41Å; L763-L767 WeakPolarHBondContact O-CB 3.37Å; L763-L767 PolarHBondContact O-N 3.33Å; L763-F773 HydrophobicContact CD2-CE1 3.9Å; L763-F773 HydrophobicContact CD2-CE2 3.83Å; L763-F773 HydrophobicContact CD2-CZ 3.35Å; L763-V799 HydrophobicContact CB-CG1 4.24Å; L763-L803 HydrophobicContact CD2-CD1 3.95Å; L763-L803 HydrophobicContact CD2-CD2 4.17Å; L763-L825 HydrophobicContact CD1-CD1 4.23Å; L763-L825 HydrophobicContact CD2-CD1 3.63Å; L763-L829 HydrophobicContact CD1-CD1 4.32Å; L763-L837 HydrophobicContact CD1-CD2 4.41Å; L763-L837 HydrophobicContact CG-CD2 4.46Å; L763-L841 HydrophobicContact CD1-CD1 4.05Å
764	M	84.6	Confident	85.6	Confident	17 Å²	17	33 Å²	33	8%	0.084	18%	0.183	C	C	.	.	H	α-helix	trans	-58.4	-41.5	176.7	-67	175.9	85.5	0	0	111.3	E282 R760 T761 N766 P796 E797 A800	E282-M764 HydrophobicContact CG-CE 3.71Å; E282-M764 WeakPolarHBondContact OE1-CE 3.46Å; R760-M764 HydrophobicContact CG-CG 4.36Å; R760-M764 HydrophobicContact CG-SD 3.65Å; R760-M764 VanDerWaalsContact O-CG 3.24Å; R760-M764 WeakPolarHBondContact O-CG 3.28Å; R760-M764 PolarHBondContact O-N 2.86Å; T761-M764 PolarHBondContact O-N 3.18Å; M764-N766 PolarHBondContact O-N 3.17Å; M764-P796 HydrophobicContact CB-CB 3.85Å; M764-P796 HydrophobicContact CE-CB 4.24Å; M764-P796 WeakPolarHBondContact CE-O 3.49Å; M764-P796 HydrophobicContact CG-CB 4.27Å; M764-P796 WeakPolarHBondContact CG-O 3.45Å; M764-E797 HydrophobicContact CE-CG 4.01Å; M764-A800 HydrophobicContact CE-CB 3.85Å; M764-A800 HydrophobicContact CG-CB 4.05Å; M764-A800 HydrophobicContact SD-CB 3.75Å
765	E	82.9	Confident	85.8	Confident	128 Å²	128	35 Å²	35	60%	0.598	19%	0.193	S	C	*	.	H	α-helix	trans	-75.5	-16	179.7	-70	173.9	178	0	0	115	T761 L763	T761-E765 HydrophobicContact CG2-CG 4.35Å; T761-E765 VanDerWaalsContact CG2-OE1 3.27Å; T761-E765 WeakPolarHBondContact CG2-OE1 3.39Å; T761-E765 WeakPolarHBondContact O-CG 3.49Å; T761-E765 PolarHBondContact O-N 3.09Å; L763-E765 VanDerWaalsContact C-N 3.28Å; L763-E765 PolarHBondContact O-N 2.8Å
766	N	82.7	Confident	86.1	Confident	63 Å²	63	33.9 Å²	33.9	34%	0.337	19%	0.19	S	C	.	.	H	α-helix	trans	-129	-4	-170.2	-64.5	-106.1	0	0	0	115.3	L762 L763 M764 L837 R840	L762-N766 VanDerWaalsContact O-CB 3.3Å; L762-N766 WeakPolarHBondContact O-CB 3.36Å; L762-N766 PolarHBondContact O-N 3.17Å; L762-N766 PolarHBondContact O-ND2 2.87Å; L763-N766 PolarHBondContact O-N 3.23Å; M764-N766 PolarHBondContact O-N 3.17Å; N766-L837 HydrophobicContact CB-CD1 4.12Å; N766-L837 HydrophobicContact CB-CD2 4.14Å; N766-R840 PolarHBondContact OD1-NH1 2.97Å
767	L	86.1	Confident	86.3	Confident	10 Å²	10	33.9 Å²	33.9	5%	0.052	19%	0.192	C	C	.	.			trans	-107.8	133.4	175.5	-64.9	-180	0	0	0	111.4	L763 F773 V799 L829 M832 L837	L763-L767 HydrophobicContact CB-CD1 4.1Å; L763-L767 HydrophobicContact CD2-CD1 3.78Å; L763-L767 HydrophobicContact CG-CD1 3.74Å; L763-L767 HydrophobicContact CG-CG 4.41Å; L763-L767 WeakPolarHBondContact O-CB 3.37Å; L763-L767 PolarHBondContact O-N 3.33Å; L767-F773 HydrophobicContact CD1-CB 4.28Å; L767-F773 HydrophobicContact CD1-CD1 4.23Å; L767-F773 HydrophobicContact CD1-CD2 3.78Å; L767-F773 HydrophobicContact CD1-CE2 4.15Å; L767-F773 HydrophobicContact CD1-CG 3.84Å; L767-V799 HydrophobicContact CB-CG1 4.24Å; L767-V799 HydrophobicContact CB-CG2 4.16Å; L767-V799 HydrophobicContact CD1-CG1 3.83Å; L767-L829 HydrophobicContact CD1-CD2 4.11Å; L767-L829 HydrophobicContact CD2-CD2 3.94Å; L767-M832 HydrophobicContact CD2-CE 4.13Å; L767-L837 HydrophobicContact CD2-CD2 4.17Å; L767-L837 HydrophobicContact CG-CD2 4.35Å
768	S	82.4	Confident	86.5	Confident	65 Å²	65	33.8 Å²	33.8	46%	0.455	20%	0.196	S	C	.	.	S	Bend	trans	-107.5	1.5	-173.1	61.6	0	0	0	0	114.7	Y646	Y646-S768 PolarHBondContact OH-N 3.09Å; Y646-S768 PolarHBondContact OH-OG 3.3Å; Y646-S768 VanDerWaalsContact OH-OG 3.04Å
769	S	87.8	Confident	86.6	Confident	28 Å²	28	32.2 Å²	32.2	20%	0.196	18%	0.182	C	C	.	.			trans	-152.9	117.9	175.9	-178.4	0	0	0	0	110.7	R771 S772 F773 E795	S769-R771 VanDerWaalsContact C-N 3.26Å; S769-R771 PolarHBondContact O-N 3.5Å; S769-R771 PolarHBondContact OG-N 3.04Å; S769-S772 PolarHBondContact OG-N 3.29Å; S769-F773 PolarHBondContact O-N 3.45Å; S769-E795 WeakPolarHBondContact CA-OE2 3.43Å
770	W	89.1	Confident	86.6	Confident	29 Å²	29	37.6 Å²	37.6	11%	0.11	21%	0.21	C	C	.	.	H	α-helix	trans	-64.7	-33.6	171.5	75	-89.7	0	0	0	112	F773 A774 L784 F787 E795 R798 V799 V802	W770-F773 PolarHBondContact O-N 2.91Å; W770-A774 HydrophobicContact CE3-CB 4.21Å; W770-A774 HydrophobicContact CZ3-CB 4.39Å; W770-A774 WeakPolarHBondContact O-CB 3.41Å; W770-A774 PolarHBondContact O-N 3.48Å; W770-L784 HydrophobicContact CD2-CD1 4.24Å; W770-L784 HydrophobicContact CE3-CD1 4.32Å; W770-L784 HydrophobicContact CH2-CB 4.02Å; W770-L784 HydrophobicContact CH2-CD1 4.25Å; W770-L784 HydrophobicContact CZ2-CB 4.06Å; W770-L784 HydrophobicContact CZ2-CD1 4.19Å; W770-L784 HydrophobicContact CZ3-CD1 4.33Å; W770-F787 HydrophobicContact CZ3-CD2 4.12Å; W770-F787 AromaticContact CZ3-CE2 3.84Å; W770-F787 HydrophobicContact CZ3-CE2 3.84Å; W770-E795 VanDerWaalsContact CD1-OE2 3.26Å; W770-E795 PolarHBondContact N-OE2 3.09Å; W770-E795 VanDerWaalsContact N-OE2 3.11Å; W770-R798 HydrophobicContact CB-CB 3.65Å; W770-R798 HydrophobicContact CD2-CB 4.33Å; W770-R798 HydrophobicContact CG-CB 3.56Å; W770-R798 HydrophobicContact CG-CG 4.48Å; W770-V799 HydrophobicContact CB-CG2 3.89Å; W770-V802 HydrophobicContact CB-CG2 4.42Å; W770-V802 HydrophobicContact CE3-CG2 3.95Å
771	R	89.3	Confident	86.2	Confident	64 Å²	64	43.3 Å²	43.3	24%	0.242	24%	0.243	C	C	.	.	H	α-helix	trans	-60.3	-55.6	-178.2	-176.3	70.8	-105.3	163.1	-1.1	110.7	S769 F773 A774 D775 Y779 L782	S769-R771 VanDerWaalsContact C-N 3.26Å; S769-R771 PolarHBondContact O-N 3.5Å; S769-R771 PolarHBondContact OG-N 3.04Å; R771-F773 PolarHBondContact O-N 3.35Å; R771-A774 PolarHBondContact O-N 2.86Å; R771-A774 VanDerWaalsContact O-N 3.16Å; R771-D775 IonicContact CZ-OD1 3.46Å; R771-D775 IonicContact CZ-OD2 3.69Å; R771-D775 IonicContact NE-OD1 3.41Å; R771-D775 PolarHBondContact NE-OD1 3.38Å; R771-D775 IonicContact NE-OD2 2.84Å; R771-D775 PolarHBondContact NE-OD2 3.13Å; R771-D775 IonicContact NH2-OD1 3.56Å; R771-D775 PolarHBondContact NH2-OD1 3.25Å; R771-D775 IonicContact NH2-OD2 2.73Å; R771-D775 PolarHBondContact O-N 3.46Å; R771-Y779 PolarHBondContact NH2-O 2.98Å; R771-L782 PolarHBondContact NH1-O 3.19Å
772	S	88.3	Confident	86.3	Confident	38 Å²	38	45.1 Å²	45.1	27%	0.266	25%	0.252	S	S	.	.	H	α-helix	trans	-61.6	-32.4	178.7	-58	0	0	0	0	112.9	S769 A776	S769-S772 PolarHBondContact OG-N 3.29Å; S772-A776 VanDerWaalsContact O-CB 3.25Å; S772-A776 WeakPolarHBondContact O-CB 3.43Å; S772-A776 PolarHBondContact O-N 3.43Å
773	F	91.1	Very high	86.3	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-70.4	-43.8	174.5	-178.6	-122.9	0	0	0	112.6	L763 L767 S769 W770 R771 A776 L777 V799 V802 L803 L825 A828 L829 M832	L763-F773 HydrophobicContact CD2-CE1 3.9Å; L763-F773 HydrophobicContact CD2-CE2 3.83Å; L763-F773 HydrophobicContact CD2-CZ 3.35Å; L767-F773 HydrophobicContact CD1-CB 4.28Å; L767-F773 HydrophobicContact CD1-CD1 4.23Å; L767-F773 HydrophobicContact CD1-CD2 3.78Å; L767-F773 HydrophobicContact CD1-CE2 4.15Å; L767-F773 HydrophobicContact CD1-CG 3.84Å; S769-F773 PolarHBondContact O-N 3.45Å; W770-F773 PolarHBondContact O-N 2.91Å; R771-F773 PolarHBondContact O-N 3.35Å; F773-A776 PolarHBondContact O-N 3.09Å; F773-L777 HydrophobicContact CD1-CD1 4.2Å; F773-L777 HydrophobicContact CD2-CD1 4.37Å; F773-L777 HydrophobicContact CE1-CD1 3.82Å; F773-L777 HydrophobicContact CE2-CD1 4Å; F773-L777 HydrophobicContact CE2-CG 4.35Å; F773-L777 HydrophobicContact CG-CD1 4.46Å; F773-L777 HydrophobicContact CZ-CD1 3.71Å; F773-L777 HydrophobicContact CZ-CG 4.5Å; F773-L777 WeakPolarHBondContact O-CG 3.36Å; F773-L777 PolarHBondContact O-N 3.45Å; F773-L777 VanDerWaalsContact O-N 3.11Å; F773-V799 HydrophobicContact CD1-CG1 4.29Å; F773-V802 HydrophobicContact CD1-CB 4.07Å; F773-V802 HydrophobicContact CD1-CG1 3.72Å; F773-V802 HydrophobicContact CE1-CB 4.27Å; F773-V802 HydrophobicContact CE1-CG1 3.91Å; F773-L803 HydrophobicContact CE1-CB 4.38Å; F773-L803 HydrophobicContact CZ-CD1 4.19Å; F773-L825 HydrophobicContact CE2-CD1 4.1Å; F773-L825 HydrophobicContact CZ-CD1 3.95Å; F773-A828 HydrophobicContact CD2-CB 4.47Å; F773-A828 HydrophobicContact CE2-CB 4.31Å; F773-L829 HydrophobicContact CD2-CD2 4.3Å; F773-L829 HydrophobicContact CE2-CD2 4.08Å; F773-M832 HydrophobicContact CB-CE 4.27Å; F773-M832 HydrophobicContact CB-SD 4.13Å; F773-M832 HydrophobicContact CD2-SD 4.07Å
774	A	90.3	Very high	86.1	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.4	-44.6	174.2	0	0	0	0	0	111.8	W770 R771 L777 G778 Y779 F787 V802	W770-A774 HydrophobicContact CE3-CB 4.21Å; W770-A774 HydrophobicContact CZ3-CB 4.39Å; W770-A774 WeakPolarHBondContact O-CB 3.41Å; W770-A774 PolarHBondContact O-N 3.48Å; R771-A774 PolarHBondContact O-N 2.86Å; R771-A774 VanDerWaalsContact O-N 3.16Å; A774-L777 PolarHBondContact O-N 3Å; A774-G778 PolarHBondContact O-N 3.17Å; A774-Y779 WeakPolarHBondContact O-CB 3.43Å; A774-Y779 PolarHBondContact O-N 2.74Å; A774-F787 HydrophobicContact CB-CZ 4.01Å; A774-V802 HydrophobicContact CB-CG1 4.05Å; A774-V802 HydrophobicContact CB-CG2 4.21Å
775	D	88.8	Confident	85.9	Confident	49 Å²	49	54 Å²	54	26%	0.262	31%	0.307	S	S	.	.	H	α-helix	trans	-66	-39.8	178.3	-67.7	-42	0	0	0	112	R771 L777 G778 L780	R771-D775 IonicContact CZ-OD1 3.46Å; R771-D775 IonicContact CZ-OD2 3.69Å; R771-D775 IonicContact NE-OD1 3.41Å; R771-D775 PolarHBondContact NE-OD1 3.38Å; R771-D775 IonicContact NE-OD2 2.84Å; R771-D775 PolarHBondContact NE-OD2 3.13Å; R771-D775 IonicContact NH2-OD1 3.56Å; R771-D775 PolarHBondContact NH2-OD1 3.25Å; R771-D775 IonicContact NH2-OD2 2.73Å; R771-D775 PolarHBondContact O-N 3.46Å; D775-L777 VanDerWaalsContact C-N 3.29Å; D775-L777 PolarHBondContact O-N 3.5Å; D775-G778 WeakPolarHBondContact O-CA 3.22Å; D775-G778 PolarHBondContact O-N 3.03Å; D775-L780 HydrophobicContact CB-CD2 4.07Å
776	A	88.8	Confident	86	Confident	15 Å²	15	52.4 Å²	52.4	12%	0.124	30%	0.299	C	S	.	.	H	α-helix	trans	-65.8	-29.4	175.8	0	0	0	0	0	113.4	S772 F773 G778 A828 K831 M832	S772-A776 VanDerWaalsContact O-CB 3.25Å; S772-A776 WeakPolarHBondContact O-CB 3.43Å; S772-A776 PolarHBondContact O-N 3.43Å; F773-A776 PolarHBondContact O-N 3.09Å; A776-G778 VanDerWaalsContact C-N 3.3Å; A776-A828 HydrophobicContact CB-CB 3.81Å; A776-K831 HydrophobicContact CB-CB 4.41Å; A776-M832 HydrophobicContact CB-CG 3.76Å; A776-M832 HydrophobicContact CB-SD 3.96Å
777	L	88.3	Confident	86	Confident	23 Å²	23	50.3 Å²	50.3	12%	0.12	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-9.5	170	-71.5	168.4	0	0	0	113.7	F773 A774 D775 Y779 V802 L806 E824 A828	F773-L777 HydrophobicContact CD1-CD1 4.2Å; F773-L777 HydrophobicContact CD2-CD1 4.37Å; F773-L777 HydrophobicContact CE1-CD1 3.82Å; F773-L777 HydrophobicContact CE2-CD1 4Å; F773-L777 HydrophobicContact CE2-CG 4.35Å; F773-L777 HydrophobicContact CG-CD1 4.46Å; F773-L777 HydrophobicContact CZ-CD1 3.71Å; F773-L777 HydrophobicContact CZ-CG 4.5Å; F773-L777 WeakPolarHBondContact O-CG 3.36Å; F773-L777 PolarHBondContact O-N 3.45Å; F773-L777 VanDerWaalsContact O-N 3.11Å; A774-L777 PolarHBondContact O-N 3Å; D775-L777 VanDerWaalsContact C-N 3.29Å; D775-L777 PolarHBondContact O-N 3.5Å; L777-Y779 HydrophobicContact CB-CD2 3.73Å; L777-Y779 HydrophobicContact CB-CE2 3.93Å; L777-Y779 HydrophobicContact CD1-CD2 4.41Å; L777-Y779 HydrophobicContact CD1-CE2 4.2Å; L777-V802 HydrophobicContact CD1-CG1 3.8Å; L777-L806 HydrophobicContact CD1-CB 4.44Å; L777-L806 HydrophobicContact CD1-CD1 4.46Å; L777-L806 HydrophobicContact CD1-CD2 3.93Å; L777-L806 HydrophobicContact CD1-CG 4.5Å; L777-L806 HydrophobicContact CD2-CD1 3.88Å; L777-L806 HydrophobicContact CD2-CD2 3.54Å; L777-L806 HydrophobicContact CD2-CG 4.31Å; L777-L806 HydrophobicContact CG-CD2 4.42Å; L777-E824 HydrophobicContact CD2-CB 4.37Å; L777-A828 HydrophobicContact CB-CB 4.46Å; L777-A828 HydrophobicContact CD2-CB 3.49Å; L777-A828 VanDerWaalsContact CD2-CB 3.49Å; L777-A828 HydrophobicContact CG-CB 3.6Å
778	G	86.2	Confident	85.7	Confident	50 Å²	50	51.3 Å²	51.3	52%	0.515	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.6	9.6	179.1	0	0	0	0	0	115.4	A774 D775 A776 L780	A774-G778 PolarHBondContact O-N 3.17Å; D775-G778 WeakPolarHBondContact O-CA 3.22Å; D775-G778 PolarHBondContact O-N 3.03Å; A776-G778 VanDerWaalsContact C-N 3.3Å; G778-L780 PolarHBondContact O-N 3.34Å
779	Y	88.1	Confident	84.9	Confident	21 Å²	21	60.5 Å²	60.5	8%	0.082	32%	0.319	C	S	.	.			trans	-81.3	50.7	175	-61.9	-74.8	0	0	0	112.3	R771 A774 L777 N781 L782 F786 F787 D809	R771-Y779 PolarHBondContact NH2-O 2.98Å; A774-Y779 WeakPolarHBondContact O-CB 3.43Å; A774-Y779 PolarHBondContact O-N 2.74Å; L777-Y779 HydrophobicContact CB-CD2 3.73Å; L777-Y779 HydrophobicContact CB-CE2 3.93Å; L777-Y779 HydrophobicContact CD1-CD2 4.41Å; L777-Y779 HydrophobicContact CD1-CE2 4.2Å; Y779-N781 PolarHBondContact O-N 2.98Å; Y779-L782 HydrophobicContact CD1-CD1 3.86Å; Y779-L782 HydrophobicContact CG-CD1 4.44Å; Y779-L782 PolarHBondContact O-N 3.27Å; Y779-F786 HydrophobicContact CD1-CE1 4.14Å; Y779-F786 HydrophobicContact CE1-CE1 4.14Å; Y779-F787 HydrophobicContact CD1-CE1 4.19Å; Y779-F787 HydrophobicContact CD1-CZ 4.4Å; Y779-F787 AromaticContact CD2-CE1 3.95Å; Y779-F787 HydrophobicContact CD2-CE1 3.95Å; Y779-F787 HydrophobicContact CD2-CZ 4.34Å; Y779-F787 HydrophobicContact CE2-CE1 4.35Å; Y779-F787 AromaticContact CG-CE1 3.87Å; Y779-F787 HydrophobicContact CG-CE1 3.87Å; Y779-F787 AromaticContact CG-CZ 3.94Å; Y779-F787 HydrophobicContact CG-CZ 3.94Å; Y779-D809 WeakPolarHBondContact CE1-OD2 3.32Å; Y779-D809 PolarHBondContact OH-OD2 3.29Å
780	L	84.1	Confident	84	Confident	113 Å²	113	61.9 Å²	61.9	59%	0.592	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	132.6	-173.1	-60	175.7	0	0	0	111.7	D775 G778 L782	D775-L780 HydrophobicContact CB-CD2 4.07Å; G778-L780 PolarHBondContact O-N 3.34Å; L780-L782 PolarHBondContact O-N 2.74Å
781	N	78.1	Confident	82.6	Confident	152 Å²	152	69.7 Å²	69.7	81%	0.813	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	4.8	176.7	-60.8	-21.4	0	0	0	117.4	Y779	Y779-N781 PolarHBondContact O-N 2.98Å
782	L	86.7	Confident	81.9	Confident	53 Å²	53	68.1 Å²	68.1	28%	0.277	37%	0.366	S	S	.	.			trans	-68.8	136.1	177.4	-58.3	-172	0	0	0	111.8	R771 Y779 L780 F786 F787	R771-L782 PolarHBondContact NH1-O 3.19Å; Y779-L782 HydrophobicContact CD1-CD1 3.86Å; Y779-L782 HydrophobicContact CG-CD1 4.44Å; Y779-L782 PolarHBondContact O-N 3.27Å; L780-L782 PolarHBondContact O-N 2.74Å; L782-F786 HydrophobicContact CB-CB 4.32Å; L782-F786 HydrophobicContact CB-CD1 4.43Å; L782-F786 HydrophobicContact CB-CG 4.35Å; L782-F786 HydrophobicContact CD1-CD1 3.59Å; L782-F786 HydrophobicContact CD1-CD2 4.19Å; L782-F786 HydrophobicContact CD1-CE1 3.56Å; L782-F786 HydrophobicContact CD1-CE2 4.16Å; L782-F786 HydrophobicContact CD1-CG 3.92Å; L782-F786 HydrophobicContact CD1-CZ 3.86Å; L782-F787 HydrophobicContact CB-CE2 4.14Å; L782-F787 HydrophobicContact CB-CZ 4.34Å
783	P	83.1	Confident	80.8	Confident	77 Å²	77	73.5 Å²	73.5	50%	0.5	39%	0.391	S	S	.	.			trans	-71.7	160.9	179.2	31.4	-36.7	0	0	0	112	T785 F786 F787	P783-T785 WeakPolarHBondContact CG-OG1 3.47Å; P783-T785 PolarHBondContact O-N 2.96Å; P783-T785 VanDerWaalsContact O-N 3.16Å; P783-F786 VanDerWaalsContact O-CB 3.27Å; P783-F786 WeakPolarHBondContact O-CB 3.29Å; P783-F786 PolarHBondContact O-N 3.33Å; P783-F787 WeakPolarHBondContact O-CD2 3.44Å
784	L	81.4	Confident	80.4	Confident	42 Å²	42	75.4 Å²	75.4	22%	0.22	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-58.5	-30.8	178.6	-175.2	60.8	0	0	0	112.4	W770 F786 F787 C788 R798	W770-L784 HydrophobicContact CD2-CD1 4.24Å; W770-L784 HydrophobicContact CE3-CD1 4.32Å; W770-L784 HydrophobicContact CH2-CB 4.02Å; W770-L784 HydrophobicContact CH2-CD1 4.25Å; W770-L784 HydrophobicContact CZ2-CB 4.06Å; W770-L784 HydrophobicContact CZ2-CD1 4.19Å; W770-L784 HydrophobicContact CZ3-CD1 4.33Å; L784-F786 PolarHBondContact O-N 2.91Å; L784-F786 VanDerWaalsContact O-N 3.12Å; L784-F787 PolarHBondContact O-N 2.95Å; L784-C788 PolarHBondContact O-N 3.17Å; L784-C788 VanDerWaalsContact O-N 3.09Å; L784-R798 HydrophobicContact CD1-CB 4.15Å; L784-R798 HydrophobicContact CD1-CG 4.04Å; L784-R798 HydrophobicContact CD2-CG 4.02Å
785	T	81.6	Confident	80.1	Confident	113 Å²	113	78 Å²	78	69%	0.693	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-61.3	-14.7	175.4	51.8	0	0	0	0	114.7	P783 C788	P783-T785 WeakPolarHBondContact CG-OG1 3.47Å; P783-T785 PolarHBondContact O-N 2.96Å; P783-T785 VanDerWaalsContact O-N 3.16Å; T785-C788 CarbonylContact C-O 3.47Å; T785-C788 VanDerWaalsContact CA-O 3.31Å; T785-C788 WeakPolarHBondContact CA-O 3.33Å
786	F	83.6	Confident	79.9	Confident	95 Å²	95	77.1 Å²	77.1	42%	0.417	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-75.9	-27	170.6	-177.5	-94.2	0	0	0	112.7	Y779 L782 P783 L784 K805	Y779-F786 HydrophobicContact CD1-CE1 4.14Å; Y779-F786 HydrophobicContact CE1-CE1 4.14Å; L782-F786 HydrophobicContact CB-CB 4.32Å; L782-F786 HydrophobicContact CB-CD1 4.43Å; L782-F786 HydrophobicContact CB-CG 4.35Å; L782-F786 HydrophobicContact CD1-CD1 3.59Å; L782-F786 HydrophobicContact CD1-CD2 4.19Å; L782-F786 HydrophobicContact CD1-CE1 3.56Å; L782-F786 HydrophobicContact CD1-CE2 4.16Å; L782-F786 HydrophobicContact CD1-CG 3.92Å; L782-F786 HydrophobicContact CD1-CZ 3.86Å; P783-F786 VanDerWaalsContact O-CB 3.27Å; P783-F786 WeakPolarHBondContact O-CB 3.29Å; P783-F786 PolarHBondContact O-N 3.33Å; L784-F786 PolarHBondContact O-N 2.91Å; L784-F786 VanDerWaalsContact O-N 3.12Å; F786-K805 HydrophobicContact CE1-CG 4.18Å
787	F	83.6	Confident	79.7	Confident	20 Å²	20	77.6 Å²	77.6	9%	0.088	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-32	-174.4	-55.5	-86.3	0	0	0	113	W770 A774 Y779 L782 P783 L784 V802 K805	W770-F787 HydrophobicContact CZ3-CD2 4.12Å; W770-F787 AromaticContact CZ3-CE2 3.84Å; W770-F787 HydrophobicContact CZ3-CE2 3.84Å; A774-F787 HydrophobicContact CB-CZ 4.01Å; Y779-F787 HydrophobicContact CD1-CE1 4.19Å; Y779-F787 HydrophobicContact CD1-CZ 4.4Å; Y779-F787 AromaticContact CD2-CE1 3.95Å; Y779-F787 HydrophobicContact CD2-CE1 3.95Å; Y779-F787 HydrophobicContact CD2-CZ 4.34Å; Y779-F787 HydrophobicContact CE2-CE1 4.35Å; Y779-F787 AromaticContact CG-CE1 3.87Å; Y779-F787 HydrophobicContact CG-CE1 3.87Å; Y779-F787 AromaticContact CG-CZ 3.94Å; Y779-F787 HydrophobicContact CG-CZ 3.94Å; L782-F787 HydrophobicContact CB-CE2 4.14Å; L782-F787 HydrophobicContact CB-CZ 4.34Å; P783-F787 WeakPolarHBondContact O-CD2 3.44Å; L784-F787 PolarHBondContact O-N 2.95Å; F787-V802 HydrophobicContact CD1-CB 4.27Å; F787-V802 HydrophobicContact CD1-CG1 4.44Å; F787-V802 HydrophobicContact CD1-CG2 3.83Å; F787-V802 HydrophobicContact CD2-CG2 4.47Å; F787-V802 HydrophobicContact CE1-CB 4.45Å; F787-V802 HydrophobicContact CE1-CG1 4.16Å; F787-V802 HydrophobicContact CE1-CG2 4.04Å; F787-V802 HydrophobicContact CG-CG2 4.05Å; F787-V802 HydrophobicContact CZ-CG2 4.43Å; F787-K805 HydrophobicContact CD1-CB 3.86Å; F787-K805 HydrophobicContact CD1-CG 3.91Å; F787-K805 HydrophobicContact CE1-CG 4.4Å
788	C	78.6	Confident	79.6	Confident	31 Å²	31	79.1 Å²	79.1	21%	0.209	42%	0.418	C	S	.	.			trans	-141.9	148.4	174.1	-161.6	0	0	0	0	110.8	L784 T785 L792	L784-C788 PolarHBondContact O-N 3.17Å; L784-C788 VanDerWaalsContact O-N 3.09Å; T785-C788 CarbonylContact C-O 3.47Å; T785-C788 VanDerWaalsContact CA-O 3.31Å; T785-C788 WeakPolarHBondContact CA-O 3.33Å; C788-L792 HydrophobicContact CB-CD1 3.98Å
789	R	66.4	Low	79.7	Confident	258 Å²	258	76.8 Å²	76.8	97%	0.974	39%	0.393	S	S	*	.	S	Bend	trans	-90.4	-9.2	173	-66.7	-173.7	-179.8	-174.1	0.4	113.7
790	A	68.3	Low	79.7	Confident	56 Å²	56	75.8 Å²	75.8	46%	0.463	39%	0.39	S	S	.	.	S	Bend	trans	-97.6	149.7	175.8	0	0	0	0	0	110.5	L792	A790-L792 PolarHBondContact O-N 2.98Å
791	E	60.6	Low	79.9	Confident	193 Å²	193	70.9 Å²	70.9	90%	0.902	37%	0.365	S	S	*	.			trans	-73.3	112.2	166.4	-63.7	-175.3	150.2	0	0	107.9
792	L	74.8	Confident	80.4	Confident	31 Å²	31	63.7 Å²	63.7	16%	0.162	33%	0.326	C	S	.	.			trans	-103.8	117.9	178.4	-63.8	176.6	0	0	0	108.5	C788 A790 E797 R798 S801	C788-L792 HydrophobicContact CB-CD1 3.98Å; A790-L792 PolarHBondContact O-N 2.98Å; L792-E797 HydrophobicContact CD1-CB 4.34Å; L792-R798 HydrophobicContact CB-CG 4.05Å; L792-R798 PolarHBondContact O-NE 2.87Å; L792-R798 PolarHBondContact O-NH2 2.9Å; L792-S801 WeakPolarHBondContact CD1-OG 3.25Å
793	D	64.5	Low	80.6	Confident	151 Å²	151	61.1 Å²	61.1	81%	0.807	31%	0.313	S	S	*	.			trans	-77.7	-26	177.6	-72.9	-38.3	0	0	0	113.2	R798	D793-R798 PolarHBondContact O-NH2 2.87Å
794	S	83.1	Confident	80.8	Confident	40 Å²	40	60.6 Å²	60.6	28%	0.28	30%	0.303	S	S	.	.			trans	-90.7	120	-172.1	-166.7	0	0	0	0	113	P796 E797 R798	S794-P796 VanDerWaalsContact OG-CD 3.32Å; S794-P796 WeakPolarHBondContact OG-CD 3.2Å; S794-P796 VanDerWaalsContact OG-CG 3.28Å; S794-P796 WeakPolarHBondContact OG-CG 3.3Å; S794-E797 PolarHBondContact O-N 2.72Å; S794-R798 WeakPolarHBondContact O-CG 3.34Å; S794-R798 PolarHBondContact O-N 2.99Å
795	E	83.4	Confident	81.1	Confident	56 Å²	56	60.3 Å²	60.3	26%	0.262	30%	0.3	S	S	.	.	H	α-helix	trans	-50.2	-47.9	173.5	-81.8	-63.5	117.2	0	0	114.8	S769 W770 E797 R798 V799	S769-E795 WeakPolarHBondContact CA-OE2 3.43Å; W770-E795 VanDerWaalsContact CD1-OE2 3.26Å; W770-E795 PolarHBondContact N-OE2 3.09Å; W770-E795 VanDerWaalsContact N-OE2 3.11Å; E795-E797 VanDerWaalsContact C-N 3.26Å; E795-E797 PolarHBondContact O-N 3.11Å; E795-R798 WeakPolarHBondContact O-CB 3.23Å; E795-R798 PolarHBondContact O-N 2.88Å; E795-R798 WeakPolarHBondContact OE1-CD 3.36Å; E795-R798 IonicContact OE1-CZ 3.68Å; E795-R798 IonicContact OE1-NE 3.86Å; E795-R798 IonicContact OE1-NH1 2.69Å; E795-R798 PolarHBondContact OE1-NH1 3.12Å; E795-V799 WeakPolarHBondContact O-CG2 3.28Å; E795-V799 PolarHBondContact O-N 3.4Å
796	P	84.9	Confident	81.4	Confident	29 Å²	29	55.1 Å²	55.1	19%	0.188	27%	0.269	C	S	.	.	H	α-helix	trans	-62	-31	176.3	22.9	-34.7	0	0	0	113.1	E282 M764 S794 V799 A800	E282-P796 WeakPolarHBondContact OE2-CG 3.36Å; M764-P796 HydrophobicContact CB-CB 3.85Å; M764-P796 HydrophobicContact CE-CB 4.24Å; M764-P796 WeakPolarHBondContact CE-O 3.49Å; M764-P796 HydrophobicContact CG-CB 4.27Å; M764-P796 WeakPolarHBondContact CG-O 3.45Å; S794-P796 VanDerWaalsContact OG-CD 3.32Å; S794-P796 WeakPolarHBondContact OG-CD 3.2Å; S794-P796 VanDerWaalsContact OG-CG 3.28Å; S794-P796 WeakPolarHBondContact OG-CG 3.3Å; P796-V799 WeakPolarHBondContact O-CB 3.24Å; P796-V799 PolarHBondContact O-N 3.05Å; P796-A800 WeakPolarHBondContact O-CB 3.47Å; P796-A800 PolarHBondContact O-N 3.44Å
797	E	84.5	Confident	81.6	Confident	25 Å²	25	52.3 Å²	52.3	12%	0.117	26%	0.256	C	S	.	.	H	α-helix	trans	-72.9	-36.8	175.3	-61.9	-169.6	136.6	0	0	111.8	S280 R281 M764 L792 S794 E795 A800 S801	S280-E797 WeakPolarHBondContact CA-OE1 3.21Å; S280-E797 VanDerWaalsContact CB-OE1 3.27Å; S280-E797 WeakPolarHBondContact CB-OE1 3.38Å; S280-E797 PolarHBondContact OG-OE1 2.89Å; R281-E797 PolarHBondContact N-OE1 3.28Å; M764-E797 HydrophobicContact CE-CG 4.01Å; L792-E797 HydrophobicContact CD1-CB 4.34Å; S794-E797 PolarHBondContact O-N 2.72Å; E795-E797 VanDerWaalsContact C-N 3.26Å; E795-E797 PolarHBondContact O-N 3.11Å; E797-A800 WeakPolarHBondContact O-CB 3.42Å; E797-A800 PolarHBondContact O-N 2.76Å; E797-A800 VanDerWaalsContact O-N 3.14Å; E797-S801 PolarHBondContact O-N 3.36Å; E797-S801 PolarHBondContact O-OG 2.75Å
798	R	86.6	Confident	81.6	Confident	56 Å²	56	56.5 Å²	56.5	21%	0.211	28%	0.276	C	S	.	.	H	α-helix	trans	-61.1	-44.9	169.2	-59.7	172.3	-174.7	162.6	-0.5	111.2	W770 L784 L792 D793 S794 E795 A800 S801 V802	W770-R798 HydrophobicContact CB-CB 3.65Å; W770-R798 HydrophobicContact CD2-CB 4.33Å; W770-R798 HydrophobicContact CG-CB 3.56Å; W770-R798 HydrophobicContact CG-CG 4.48Å; L784-R798 HydrophobicContact CD1-CB 4.15Å; L784-R798 HydrophobicContact CD1-CG 4.04Å; L784-R798 HydrophobicContact CD2-CG 4.02Å; L792-R798 HydrophobicContact CB-CG 4.05Å; L792-R798 PolarHBondContact O-NE 2.87Å; L792-R798 PolarHBondContact O-NH2 2.9Å; D793-R798 PolarHBondContact O-NH2 2.87Å; S794-R798 WeakPolarHBondContact O-CG 3.34Å; S794-R798 PolarHBondContact O-N 2.99Å; E795-R798 WeakPolarHBondContact O-CB 3.23Å; E795-R798 PolarHBondContact O-N 2.88Å; E795-R798 WeakPolarHBondContact OE1-CD 3.36Å; E795-R798 IonicContact OE1-CZ 3.68Å; E795-R798 IonicContact OE1-NE 3.86Å; E795-R798 IonicContact OE1-NH1 2.69Å; E795-R798 PolarHBondContact OE1-NH1 3.12Å; R798-A800 VanDerWaalsContact C-N 3.26Å; R798-A800 PolarHBondContact O-N 3.28Å; R798-S801 PolarHBondContact O-N 2.95Å; R798-V802 WeakPolarHBondContact O-CG2 3.43Å; R798-V802 PolarHBondContact O-N 2.82Å
799	V	87.8	Confident	81.8	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.006	27%	0.273	C	S	.	.	H	α-helix	trans	-56.3	-41.7	172	167.7	0	0	0	0	110.9	L763 L767 W770 F773 E795 P796 V802 L803	L763-V799 HydrophobicContact CB-CG1 4.24Å; L767-V799 HydrophobicContact CB-CG1 4.24Å; L767-V799 HydrophobicContact CB-CG2 4.16Å; L767-V799 HydrophobicContact CD1-CG1 3.83Å; W770-V799 HydrophobicContact CB-CG2 3.89Å; F773-V799 HydrophobicContact CD1-CG1 4.29Å; E795-V799 WeakPolarHBondContact O-CG2 3.28Å; E795-V799 PolarHBondContact O-N 3.4Å; P796-V799 WeakPolarHBondContact O-CB 3.24Å; P796-V799 PolarHBondContact O-N 3.05Å; V799-V802 PolarHBondContact O-N 2.85Å; V799-L803 PolarHBondContact O-N 2.91Å
800	A	87.6	Confident	82.5	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.1	-39.5	178.2	0	0	0	0	0	112.9	R760 M764 P796 E797 R798 L803 E804	R760-A800 HydrophobicContact CG-CB 4.34Å; M764-A800 HydrophobicContact CE-CB 3.85Å; M764-A800 HydrophobicContact CG-CB 4.05Å; M764-A800 HydrophobicContact SD-CB 3.75Å; P796-A800 WeakPolarHBondContact O-CB 3.47Å; P796-A800 PolarHBondContact O-N 3.44Å; E797-A800 WeakPolarHBondContact O-CB 3.42Å; E797-A800 PolarHBondContact O-N 2.76Å; E797-A800 VanDerWaalsContact O-N 3.14Å; R798-A800 VanDerWaalsContact C-N 3.26Å; R798-A800 PolarHBondContact O-N 3.28Å; A800-L803 CarbonylContact O-C 3.6Å; A800-L803 WeakPolarHBondContact O-CB 3.48Å; A800-L803 PolarHBondContact O-N 2.63Å; A800-L803 VanDerWaalsContact O-N 3.17Å; A800-E804 WeakPolarHBondContact O-CG 3.5Å; A800-E804 PolarHBondContact O-N 3.46Å
801	S	87.9	Confident	82.9	Confident	10 Å²	10	45.5 Å²	45.5	7%	0.07	23%	0.227	C	C	.	.	H	α-helix	trans	-64.6	-38.1	173.4	-62.4	0	0	0	0	112.5	L792 E797 R798 L803 E804 K805	L792-S801 WeakPolarHBondContact CD1-OG 3.25Å; E797-S801 PolarHBondContact O-N 3.36Å; E797-S801 PolarHBondContact O-OG 2.75Å; R798-S801 PolarHBondContact O-N 2.95Å; S801-L803 VanDerWaalsContact C-N 3.3Å; S801-L803 PolarHBondContact O-N 3.17Å; S801-E804 PolarHBondContact O-N 2.8Å; S801-K805 WeakPolarHBondContact O-CB 3.42Å; S801-K805 PolarHBondContact O-N 2.9Å
802	V	89.8	Confident	83.6	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62	-38.7	171.3	179.5	0	0	0	0	111.3	W770 F773 A774 L777 F787 R798 V799 K805 L806	W770-V802 HydrophobicContact CB-CG2 4.42Å; W770-V802 HydrophobicContact CE3-CG2 3.95Å; F773-V802 HydrophobicContact CD1-CB 4.07Å; F773-V802 HydrophobicContact CD1-CG1 3.72Å; F773-V802 HydrophobicContact CE1-CB 4.27Å; F773-V802 HydrophobicContact CE1-CG1 3.91Å; A774-V802 HydrophobicContact CB-CG1 4.05Å; A774-V802 HydrophobicContact CB-CG2 4.21Å; L777-V802 HydrophobicContact CD1-CG1 3.8Å; F787-V802 HydrophobicContact CD1-CB 4.27Å; F787-V802 HydrophobicContact CD1-CG1 4.44Å; F787-V802 HydrophobicContact CD1-CG2 3.83Å; F787-V802 HydrophobicContact CD2-CG2 4.47Å; F787-V802 HydrophobicContact CE1-CB 4.45Å; F787-V802 HydrophobicContact CE1-CG1 4.16Å; F787-V802 HydrophobicContact CE1-CG2 4.04Å; F787-V802 HydrophobicContact CG-CG2 4.05Å; F787-V802 HydrophobicContact CZ-CG2 4.43Å; R798-V802 WeakPolarHBondContact O-CG2 3.43Å; R798-V802 PolarHBondContact O-N 2.82Å; V799-V802 PolarHBondContact O-N 2.85Å; V802-K805 PolarHBondContact O-N 3.1Å; V802-L806 WeakPolarHBondContact O-CB 3.32Å; V802-L806 PolarHBondContact O-N 3.14Å
803	L	89.8	Confident	82.7	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-72.8	-33.7	177.4	-171.5	67.2	0	0	0	113.5	Y756 V759 R760 L763 F773 V799 A800 S801 L806 K807 F821 L825	Y756-L803 HydrophobicContact CE2-CD2 4.33Å; Y756-L803 HydrophobicContact CE2-CG 4.13Å; Y756-L803 PolarHBondContact OH-O 2.79Å; V759-L803 HydrophobicContact CG1-CD2 4.34Å; R760-L803 HydrophobicContact CB-CD2 4Å; R760-L803 HydrophobicContact CG-CD2 4.39Å; L763-L803 HydrophobicContact CD2-CD1 3.95Å; L763-L803 HydrophobicContact CD2-CD2 4.17Å; F773-L803 HydrophobicContact CE1-CB 4.38Å; F773-L803 HydrophobicContact CZ-CD1 4.19Å; V799-L803 PolarHBondContact O-N 2.91Å; A800-L803 CarbonylContact O-C 3.6Å; A800-L803 WeakPolarHBondContact O-CB 3.48Å; A800-L803 PolarHBondContact O-N 2.63Å; A800-L803 VanDerWaalsContact O-N 3.17Å; S801-L803 VanDerWaalsContact C-N 3.3Å; S801-L803 PolarHBondContact O-N 3.17Å; L803-L806 HydrophobicContact CD1-CD2 4.4Å; L803-K807 PolarHBondContact O-N 2.89Å; L803-F821 HydrophobicContact CD1-CE2 3.81Å; L803-F821 HydrophobicContact CD1-CZ 3.64Å; L803-F821 HydrophobicContact CG-CE2 4.41Å; L803-F821 HydrophobicContact CG-CZ 4.21Å; L803-L825 HydrophobicContact CD1-CD1 4.01Å
804	E	88.3	Confident	82.4	Confident	65 Å²	65	45.7 Å²	45.7	30%	0.304	23%	0.233	S	C	.	.	H	α-helix	trans	-65.2	-46.5	170.6	-76.3	175.3	135.6	0	0	109.5	Y756 R760 A800 S801 L806 K807 E808	Y756-E804 WeakPolarHBondContact OH-CA 3.48Å; Y756-E804 WeakPolarHBondContact OH-CG 3.35Å; Y756-E804 PolarHBondContact OH-N 3.06Å; R760-E804 IonicContact CZ-OE1 3.91Å; R760-E804 IonicContact CZ-OE2 2.65Å; R760-E804 VanDerWaalsContact NH1-CD 3.29Å; R760-E804 IonicContact NH1-OE1 2.68Å; R760-E804 PolarHBondContact NH1-OE1 2.82Å; R760-E804 IonicContact NH1-OE2 3.5Å; R760-E804 VanDerWaalsContact NH2-CD 3.3Å; R760-E804 IonicContact NH2-OE1 2.7Å; R760-E804 PolarHBondContact NH2-OE1 2.95Å; R760-E804 IonicContact NH2-OE2 3.72Å; R760-E804 PolarHBondContact NH2-OE2 2.86Å; A800-E804 WeakPolarHBondContact O-CG 3.5Å; A800-E804 PolarHBondContact O-N 3.46Å; S801-E804 PolarHBondContact O-N 2.8Å; E804-L806 PolarHBondContact O-N 3.41Å; E804-K807 WeakPolarHBondContact O-CA 3.41Å; E804-K807 WeakPolarHBondContact O-CB 3.45Å; E804-K807 PolarHBondContact O-N 2.87Å; E804-E808 PolarHBondContact O-N 2.81Å
805	K	88.1	Confident	81.1	Confident	36 Å²	36	46.3 Å²	46.3	16%	0.157	23%	0.233	C	C	.	.	H	α-helix	trans	-62.8	-42	177.7	-170.7	47.8	176.8	155.2	0	113.2	F786 F787 S801 V802 K807 E808 D809	F786-K805 HydrophobicContact CE1-CG 4.18Å; F787-K805 HydrophobicContact CD1-CB 3.86Å; F787-K805 HydrophobicContact CD1-CG 3.91Å; F787-K805 HydrophobicContact CE1-CG 4.4Å; S801-K805 WeakPolarHBondContact O-CB 3.42Å; S801-K805 PolarHBondContact O-N 2.9Å; V802-K805 PolarHBondContact O-N 3.1Å; K805-K807 PolarHBondContact O-N 2.87Å; K805-E808 HydrophobicContact CD-CB 4.48Å; K805-E808 WeakPolarHBondContact CD-OE2 3.48Å; K805-E808 IonicContact NZ-OE2 2.72Å; K805-E808 PolarHBondContact NZ-OE2 3.37Å; K805-E808 WeakPolarHBondContact O-CB 3.17Å; K805-E808 PolarHBondContact O-N 3.03Å; K805-D809 VanDerWaalsContact CE-OD1 3.26Å; K805-D809 WeakPolarHBondContact CE-OD1 3.5Å; K805-D809 IonicContact NZ-OD1 3.83Å; K805-D809 PolarHBondContact NZ-OD1 2.67Å; K805-D809 PolarHBondContact O-N 3.35Å
806	L	88.4	Confident	79.7	Confident	5 Å²	5	48.1 Å²	48.1	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-57.9	-37	172.3	-179	64.2	0	0	0	112.3	L777 V802 L803 E804 C810 F821 E824 L825	L777-L806 HydrophobicContact CD1-CB 4.44Å; L777-L806 HydrophobicContact CD1-CD1 4.46Å; L777-L806 HydrophobicContact CD1-CD2 3.93Å; L777-L806 HydrophobicContact CD1-CG 4.5Å; L777-L806 HydrophobicContact CD2-CD1 3.88Å; L777-L806 HydrophobicContact CD2-CD2 3.54Å; L777-L806 HydrophobicContact CD2-CG 4.31Å; L777-L806 HydrophobicContact CG-CD2 4.42Å; V802-L806 WeakPolarHBondContact O-CB 3.32Å; V802-L806 PolarHBondContact O-N 3.14Å; L803-L806 HydrophobicContact CD1-CD2 4.4Å; E804-L806 PolarHBondContact O-N 3.41Å; L806-C810 WeakPolarHBondContact O-CB 3.39Å; L806-C810 PolarHBondContact O-N 2.79Å; L806-C810 PolarHBondContact O-SG 3.04Å; L806-F821 HydrophobicContact CB-CE2 4.46Å; L806-F821 HydrophobicContact CD2-CD2 4.12Å; L806-F821 HydrophobicContact CD2-CE2 4.05Å; L806-F821 HydrophobicContact CG-CD2 4Å; L806-F821 HydrophobicContact CG-CE2 4.19Å; L806-E824 HydrophobicContact CD1-CB 4.06Å; L806-L825 HydrophobicContact CD2-CB 4.38Å
807	K	86.6	Confident	78.1	Confident	35 Å²	35	52.7 Å²	52.7	15%	0.152	26%	0.263	C	S	.	.	H	α-helix	trans	-69	-44.7	177.6	-166.9	-171.4	176.9	-174	0	111.4	E250 Y756 L803 E804 K805 C810 N811 F821	E250-K807 WeakPolarHBondContact OE1-CE 3.18Å; E250-K807 IonicContact OE1-NZ 3.81Å; E250-K807 PolarHBondContact OE1-NZ 2.88Å; Y756-K807 HydrophobicContact CD2-CD 3.92Å; Y756-K807 HydrophobicContact CE1-CD 4.46Å; Y756-K807 HydrophobicContact CE2-CB 4.19Å; Y756-K807 HydrophobicContact CE2-CD 3.81Å; Y756-K807 HydrophobicContact CE2-CG 4.35Å; Y756-K807 HydrophobicContact CG-CD 4.31Å; L803-K807 PolarHBondContact O-N 2.89Å; E804-K807 WeakPolarHBondContact O-CA 3.41Å; E804-K807 WeakPolarHBondContact O-CB 3.45Å; E804-K807 PolarHBondContact O-N 2.87Å; K805-K807 PolarHBondContact O-N 2.87Å; K807-C810 PolarHBondContact O-N 2.9Å; K807-N811 WeakPolarHBondContact O-CB 3.43Å; K807-N811 PolarHBondContact O-N 2.85Å; K807-F821 HydrophobicContact CB-CD2 4.09Å; K807-F821 HydrophobicContact CB-CE2 3.95Å; K807-F821 HydrophobicContact CG-CD2 4.38Å; K807-F821 HydrophobicContact CG-CE2 4.45Å
808	E	84.6	Confident	76.7	Confident	109 Å²	109	60.8 Å²	60.8	51%	0.509	29%	0.293	S	S	.	.	H	α-helix	trans	-56.1	-52.5	173.9	-66.5	179	174.1	0	0	111.5	E804 K805 C810 N811 N812	E804-E808 PolarHBondContact O-N 2.81Å; K805-E808 HydrophobicContact CD-CB 4.48Å; K805-E808 WeakPolarHBondContact CD-OE2 3.48Å; K805-E808 IonicContact NZ-OE2 2.72Å; K805-E808 PolarHBondContact NZ-OE2 3.37Å; K805-E808 WeakPolarHBondContact O-CB 3.17Å; K805-E808 PolarHBondContact O-N 3.03Å; E808-C810 PolarHBondContact O-N 2.92Å; E808-N811 CarbonylContact O-C 3.5Å; E808-N811 WeakPolarHBondContact O-CA 3.44Å; E808-N811 PolarHBondContact O-N 2.92Å; E808-N812 PolarHBondContact O-N 2.83Å
809	D	82.8	Confident	75.6	Confident	25 Å²	25	62.2 Å²	62.2	13%	0.134	30%	0.3	C	S	.	.	H	α-helix	trans	-67.4	-26.9	-172.9	-66.9	-14.5	0	0	0	112.4	Y779 K805 N815	Y779-D809 WeakPolarHBondContact CE1-OD2 3.32Å; Y779-D809 PolarHBondContact OH-OD2 3.29Å; K805-D809 VanDerWaalsContact CE-OD1 3.26Å; K805-D809 WeakPolarHBondContact CE-OD1 3.5Å; K805-D809 IonicContact NZ-OD1 3.83Å; K805-D809 PolarHBondContact NZ-OD1 2.67Å; K805-D809 PolarHBondContact O-N 3.35Å; D809-N815 VanDerWaalsContact O-CB 3.3Å; D809-N815 WeakPolarHBondContact O-CB 3.4Å; D809-N815 PolarHBondContact O-ND2 2.68Å; D809-N815 VanDerWaalsContact O-ND2 3.07Å
810	C	81.1	Confident	75.4	Confident	9 Å²	9	63.3 Å²	63.3	6%	0.061	31%	0.308	C	S	.	.	H	α-helix	trans	-79.4	-26.5	170.3	-71.4	0	0	0	0	113.5	L806 K807 E808 F821	L806-C810 WeakPolarHBondContact O-CB 3.39Å; L806-C810 PolarHBondContact O-N 2.79Å; L806-C810 PolarHBondContact O-SG 3.04Å; K807-C810 PolarHBondContact O-N 2.9Å; E808-C810 PolarHBondContact O-N 2.92Å; C810-F821 HydrophobicContact CB-CB 4.18Å
811	N	74.8	Confident	75.3	Confident	80 Å²	80	64 Å²	64	43%	0.428	31%	0.311	S	S	.	.	H	α-helix	trans	-87.8	-14.5	178.9	-81.4	1.2	0	0	0	113.2	K807 E808 K816	K807-N811 WeakPolarHBondContact O-CB 3.43Å; K807-N811 PolarHBondContact O-N 2.85Å; E808-N811 CarbonylContact O-C 3.5Å; E808-N811 WeakPolarHBondContact O-CA 3.44Å; E808-N811 PolarHBondContact O-N 2.92Å; N811-K816 WeakPolarHBondContact O-CE 3.47Å
812	N	76.9	Confident	75.2	Confident	89 Å²	89	63.9 Å²	63.9	48%	0.476	31%	0.31	S	S	.	.	S	Bend	trans	-63.5	132.5	173.4	-94.8	-26.1	0	0	0	112.2	E808 E814 N815 K816	E808-N812 PolarHBondContact O-N 2.83Å; N812-E814 VanDerWaalsContact C-N 3.3Å; N812-E814 PolarHBondContact O-N 2.87Å; N812-N815 PolarHBondContact O-N 2.78Å; N812-K816 PolarHBondContact O-N 2.81Å
813	T	54.7	Low	75.1	Confident	108 Å²	108	65.4 Å²	65.4	66%	0.663	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-35	-167.8	25.6	0	0	0	0	115	N815 K816	T813-N815 VanDerWaalsContact C-N 3.32Å; T813-N815 PolarHBondContact O-N 2.79Å; T813-K816 HydrophobicContact CG2-CD 4.18Å
814	E	58.8	Low	75.1	Confident	181 Å²	181	67.4 Å²	67.4	85%	0.846	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-26.5	179.3	-58.4	178.4	157.3	0	0	112.9	N812	N812-E814 VanDerWaalsContact C-N 3.3Å; N812-E814 PolarHBondContact O-N 2.87Å
815	N	56.8	Low	75.3	Confident	54 Å²	54	64.3 Å²	64.3	29%	0.289	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-13.4	-178.4	-78.2	-36.9	0	0	0	114.1	D809 N812 T813 D817 R818 K819	D809-N815 VanDerWaalsContact O-CB 3.3Å; D809-N815 WeakPolarHBondContact O-CB 3.4Å; D809-N815 PolarHBondContact O-ND2 2.68Å; D809-N815 VanDerWaalsContact O-ND2 3.07Å; N812-N815 PolarHBondContact O-N 2.78Å; T813-N815 VanDerWaalsContact C-N 3.32Å; T813-N815 PolarHBondContact O-N 2.79Å; N815-D817 PolarHBondContact O-N 2.89Å; N815-R818 PolarHBondContact O-N 2.84Å; N815-K819 PolarHBondContact O-N 2.96Å
816	K	53.6	Low	75.5	Confident	94 Å²	94	62.6 Å²	62.6	41%	0.409	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-21.9	-170	-80.1	-177.6	-172.6	176.5	0	115.8	R244 N811 N812 T813	R244-K816 PolarHBondContact NH1-O 3.09Å; N811-K816 WeakPolarHBondContact O-CE 3.47Å; N812-K816 PolarHBondContact O-N 2.81Å; T813-K816 HydrophobicContact CG2-CD 4.18Å
817	D	50.1	Low	75.6	Confident	125 Å²	125	63.4 Å²	63.4	67%	0.668	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-14.6	179.8	-67	-21.5	0	0	0	113.5	R244 N815	R244-D817 IonicContact CZ-OD1 3.66Å; R244-D817 IonicContact NH1-OD1 2.72Å; R244-D817 PolarHBondContact NH1-OD1 3.36Å; R244-D817 IonicContact NH2-OD1 3.26Å; R244-D817 PolarHBondContact NH2-OD1 2.83Å; N815-D817 PolarHBondContact O-N 2.89Å
818	R	56.1	Low	75.9	Confident	195 Å²	195	61.8 Å²	61.8	74%	0.736	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-59.6	179.2	-67.6	-177.9	172.8	-167.2	-3.8	111.4	N815	N815-R818 PolarHBondContact O-N 2.84Å
819	K	64	Low	76.3	Confident	85 Å²	85	56.6 Å²	56.6	37%	0.37	28%	0.278	S	S	.	.			trans	-98.4	150.1	-176.8	-67.8	-172.3	176.9	-174.2	0	111.4	N815 E824	N815-K819 PolarHBondContact O-N 2.96Å; K819-E824 HydrophobicContact CB-CG 4.1Å; K819-E824 HydrophobicContact CG-CG 4.4Å
820	S	82	Confident	76.6	Confident	25 Å²	25	55.4 Å²	55.4	18%	0.175	27%	0.271	C	S	.	.			trans	-143	117	176.8	51.5	0	0	0	0	109.6	K750 Q822 K823 E824	K750-S820 WeakPolarHBondContact CD-OG 3.4Å; K750-S820 WeakPolarHBondContact CE-OG 3.47Å; K750-S820 WeakPolarHBondContact CG-OG 3.48Å; K750-S820 PolarHBondContact NZ-OG 2.9Å; S820-Q822 VanDerWaalsContact C-N 3.28Å; S820-Q822 PolarHBondContact O-N 2.85Å; S820-K823 WeakPolarHBondContact O-CA 3.45Å; S820-K823 PolarHBondContact O-N 2.99Å; S820-K823 VanDerWaalsContact OG-CB 3.3Å; S820-K823 WeakPolarHBondContact OG-CB 3.33Å; S820-E824 PolarHBondContact N-OE1 2.94Å; S820-E824 PolarHBondContact O-N 3.37Å; S820-E824 VanDerWaalsContact O-N 3.1Å
821	F	86.7	Confident	77.1	Confident	14 Å²	14	58.7 Å²	58.7	6%	0.061	28%	0.284	C	S	.	.	H	α-helix	trans	-38.5	-52	-169.5	177.6	-101.2	0	0	0	114.2	Y754 Y756 V759 L803 L806 K807 C810 E824 L825	Y754-F821 HydrophobicContact CD2-CE1 4.31Å; Y754-F821 AromaticContact CE2-CD1 3.75Å; Y754-F821 HydrophobicContact CE2-CD1 3.75Å; Y754-F821 AromaticContact CE2-CE1 3.62Å; Y754-F821 HydrophobicContact CE2-CE1 3.62Å; Y754-F821 AromaticContact CZ-CD1 3.72Å; Y756-F821 HydrophobicContact CD2-CE1 4.16Å; Y756-F821 AromaticContact CD2-CZ 3.81Å; Y756-F821 HydrophobicContact CD2-CZ 3.81Å; Y756-F821 HydrophobicContact CE2-CE1 4.44Å; Y756-F821 HydrophobicContact CE2-CE2 4.08Å; Y756-F821 AromaticContact CE2-CZ 3.64Å; Y756-F821 HydrophobicContact CE2-CZ 3.64Å; V759-F821 HydrophobicContact CG1-CE1 4.47Å; L803-F821 HydrophobicContact CD1-CE2 3.81Å; L803-F821 HydrophobicContact CD1-CZ 3.64Å; L803-F821 HydrophobicContact CG-CE2 4.41Å; L803-F821 HydrophobicContact CG-CZ 4.21Å; L806-F821 HydrophobicContact CB-CE2 4.46Å; L806-F821 HydrophobicContact CD2-CD2 4.12Å; L806-F821 HydrophobicContact CD2-CE2 4.05Å; L806-F821 HydrophobicContact CG-CD2 4Å; L806-F821 HydrophobicContact CG-CE2 4.19Å; K807-F821 HydrophobicContact CB-CD2 4.09Å; K807-F821 HydrophobicContact CB-CE2 3.95Å; K807-F821 HydrophobicContact CG-CD2 4.38Å; K807-F821 HydrophobicContact CG-CE2 4.45Å; C810-F821 HydrophobicContact CB-CB 4.18Å; F821-E824 PolarHBondContact O-N 3Å; F821-L825 HydrophobicContact CE1-CD2 4.13Å; F821-L825 HydrophobicContact CZ-CD2 4.37Å; F821-L825 WeakPolarHBondContact O-CB 3.15Å; F821-L825 PolarHBondContact O-N 3.3Å
822	Q	86	Confident	77.7	Confident	8 Å²	8	55.2 Å²	55.2	4%	0.037	27%	0.266	C	S	.	.	H	α-helix	trans	-66.3	-37.4	-179.8	-66.5	168.3	-73.1	0	0	113.7	S245 C749 L752 Y754 S820 M826 F845	S245-Q822 PolarHBondContact OG-OE1 3.27Å; C749-Q822 VanDerWaalsContact O-CB 3.23Å; C749-Q822 WeakPolarHBondContact O-CB 3.41Å; C749-Q822 PolarHBondContact O-OE1 2.8Å; L752-Q822 PolarHBondContact O-NE2 3.03Å; L752-Q822 PolarHBondContact O-OE1 2.77Å; L752-Q822 VanDerWaalsContact O-OE1 3.06Å; Y754-Q822 HydrophobicContact CD1-CG 3.9Å; Y754-Q822 HydrophobicContact CE1-CG 4.09Å; Y754-Q822 HydrophobicContact CG-CG 4.33Å; S820-Q822 VanDerWaalsContact C-N 3.28Å; S820-Q822 PolarHBondContact O-N 2.85Å; Q822-M826 WeakPolarHBondContact O-CB 3.46Å; Q822-M826 WeakPolarHBondContact O-CG 3.29Å; Q822-M826 PolarHBondContact O-N 2.94Å; Q822-F845 HydrophobicContact CB-CE2 4.5Å; Q822-F845 HydrophobicContact CG-CE2 3.95Å; Q822-F845 VanDerWaalsContact NE2-CD2 3.33Å
823	K	87.6	Confident	78.2	Confident	31 Å²	31	51.8 Å²	51.8	14%	0.135	25%	0.248	C	C	.	.	H	α-helix	trans	-67.1	-47.1	175.1	-170.1	-171.1	171.8	-169.7	0	110.3	E743 L746 K750 S820 M826 T827	E743-K823 IonicContact OE1-NZ 3.68Å; E743-K823 PolarHBondContact OE1-NZ 3.14Å; L746-K823 HydrophobicContact CB-CG 4.08Å; K750-K823 HydrophobicContact CG-CB 4.38Å; S820-K823 WeakPolarHBondContact O-CA 3.45Å; S820-K823 PolarHBondContact O-N 2.99Å; S820-K823 VanDerWaalsContact OG-CB 3.3Å; S820-K823 WeakPolarHBondContact OG-CB 3.33Å; K823-M826 PolarHBondContact O-N 2.97Å; K823-T827 VanDerWaalsContact O-CB 3.28Å; K823-T827 WeakPolarHBondContact O-CB 3.49Å; K823-T827 PolarHBondContact O-N 3.23Å; K823-T827 PolarHBondContact O-OG1 3.34Å
824	E	89.8	Confident	79.8	Confident	42 Å²	42	47.5 Å²	47.5	20%	0.196	22%	0.222	C	C	.	.	H	α-helix	trans	-63.3	-45.5	-179	-49.9	-43.8	129.7	0	0	110.9	L777 L806 K819 S820 F821 T827 A828	L777-E824 HydrophobicContact CD2-CB 4.37Å; L806-E824 HydrophobicContact CD1-CB 4.06Å; K819-E824 HydrophobicContact CB-CG 4.1Å; K819-E824 HydrophobicContact CG-CG 4.4Å; S820-E824 PolarHBondContact N-OE1 2.94Å; S820-E824 PolarHBondContact O-N 3.37Å; S820-E824 VanDerWaalsContact O-N 3.1Å; F821-E824 PolarHBondContact O-N 3Å; E824-T827 WeakPolarHBondContact O-CB 3.48Å; E824-T827 PolarHBondContact O-N 3.34Å; E824-A828 PolarHBondContact O-N 3.31Å
825	L	91.9	Very high	81.1	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-55.6	-53.9	175.2	175	62.7	0	0	0	112.1	V759 L763 F773 L803 L806 F821 T827 A828 L829	V759-L825 HydrophobicContact CG1-CD2 3.54Å; L763-L825 HydrophobicContact CD1-CD1 4.23Å; L763-L825 HydrophobicContact CD2-CD1 3.63Å; F773-L825 HydrophobicContact CE2-CD1 4.1Å; F773-L825 HydrophobicContact CZ-CD1 3.95Å; L803-L825 HydrophobicContact CD1-CD1 4.01Å; L806-L825 HydrophobicContact CD2-CB 4.38Å; F821-L825 HydrophobicContact CE1-CD2 4.13Å; F821-L825 HydrophobicContact CZ-CD2 4.37Å; F821-L825 WeakPolarHBondContact O-CB 3.15Å; F821-L825 PolarHBondContact O-N 3.3Å; L825-T827 VanDerWaalsContact C-N 3.28Å; L825-T827 PolarHBondContact O-N 2.82Å; L825-A828 PolarHBondContact O-N 2.79Å; L825-L829 HydrophobicContact CD1-CD1 3.98Å; L825-L829 HydrophobicContact CD1-CG 4.23Å; L825-L829 HydrophobicContact CG-CD1 4.22Å; L825-L829 WeakPolarHBondContact O-CG 3.49Å; L825-L829 PolarHBondContact O-N 2.75Å
826	M	91.6	Very high	82.3	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-67	-31.3	178.8	-61.5	-54.9	169.6	0	0	112	L746 Q822 K823 L830 V838 L841 I842 F845	L746-M826 HydrophobicContact CD1-CB 4.06Å; L746-M826 HydrophobicContact CD2-CB 3.63Å; L746-M826 HydrophobicContact CD2-CG 4.47Å; Q822-M826 WeakPolarHBondContact O-CB 3.46Å; Q822-M826 WeakPolarHBondContact O-CG 3.29Å; Q822-M826 PolarHBondContact O-N 2.94Å; K823-M826 PolarHBondContact O-N 2.97Å; M826-L830 VanDerWaalsContact O-CB 3.27Å; M826-L830 WeakPolarHBondContact O-CB 3.38Å; M826-L830 VanDerWaalsContact O-CG 3.23Å; M826-L830 WeakPolarHBondContact O-CG 3.49Å; M826-L830 PolarHBondContact O-N 3.33Å; M826-V838 HydrophobicContact SD-CB 4.23Å; M826-V838 HydrophobicContact SD-CG1 3.83Å; M826-V838 HydrophobicContact SD-CG2 4.04Å; M826-L841 HydrophobicContact CE-CB 3.48Å; M826-L841 VanDerWaalsContact CE-CB 3.48Å; M826-L841 HydrophobicContact CE-CD1 3.89Å; M826-L841 HydrophobicContact CE-CG 4.3Å; M826-L841 HydrophobicContact SD-CB 4.43Å; M826-L841 HydrophobicContact SD-CD1 4.29Å; M826-I842 HydrophobicContact CE-CG1 4.34Å; M826-F845 HydrophobicContact CE-CD2 4.13Å; M826-F845 HydrophobicContact CE-CE2 3.43Å; M826-F845 VanDerWaalsContact CE-CE2 3.43Å; M826-F845 HydrophobicContact CE-CZ 3.91Å
827	T	92.2	Very high	83.9	Confident	23 Å²	23	35.3 Å²	35.3	14%	0.141	18%	0.177	C	C	.	.	H	α-helix	trans	-62.3	-48.2	174.6	-59.2	0	0	0	0	110.7	L742 L746 K823 E824 L825 K831	L742-T827 HydrophobicContact CD2-CG2 4.09Å; L746-T827 VanDerWaalsContact CD1-OG1 3.22Å; L746-T827 WeakPolarHBondContact CD1-OG1 3.44Å; K823-T827 VanDerWaalsContact O-CB 3.28Å; K823-T827 WeakPolarHBondContact O-CB 3.49Å; K823-T827 PolarHBondContact O-N 3.23Å; K823-T827 PolarHBondContact O-OG1 3.34Å; E824-T827 WeakPolarHBondContact O-CB 3.48Å; E824-T827 PolarHBondContact O-N 3.34Å; L825-T827 VanDerWaalsContact C-N 3.28Å; L825-T827 PolarHBondContact O-N 2.82Å; T827-K831 HydrophobicContact CG2-CD 4.29Å; T827-K831 WeakPolarHBondContact O-CB 3.43Å; T827-K831 VanDerWaalsContact O-CG 3.26Å; T827-K831 WeakPolarHBondContact O-CG 3.49Å; T827-K831 PolarHBondContact O-N 3.19Å
828	A	92.1	Very high	85.8	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.008	15%	0.145	C	C	.	.	H	α-helix	trans	-65.5	-45.9	178.3	0	0	0	0	0	112.4	F773 A776 L777 E824 L825 L830 K831 M832	F773-A828 HydrophobicContact CD2-CB 4.47Å; F773-A828 HydrophobicContact CE2-CB 4.31Å; A776-A828 HydrophobicContact CB-CB 3.81Å; L777-A828 HydrophobicContact CB-CB 4.46Å; L777-A828 HydrophobicContact CD2-CB 3.49Å; L777-A828 VanDerWaalsContact CD2-CB 3.49Å; L777-A828 HydrophobicContact CG-CB 3.6Å; E824-A828 PolarHBondContact O-N 3.31Å; L825-A828 PolarHBondContact O-N 2.79Å; A828-L830 PolarHBondContact O-N 3.08Å; A828-K831 WeakPolarHBondContact O-CB 3.31Å; A828-K831 PolarHBondContact O-N 3.27Å; A828-K831 VanDerWaalsContact O-N 3.14Å; A828-M832 WeakPolarHBondContact O-CG 3.43Å; A828-M832 PolarHBondContact O-N 3.06Å; A828-M832 VanDerWaalsContact O-N 3.13Å
829	L	91.9	Very high	87.3	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63.5	-40.2	179	-66.5	179.9	0	0	0	112.4	L763 L767 F773 L825 K831 M832 C834 L837 V838 L841	L763-L829 HydrophobicContact CD1-CD1 4.32Å; L767-L829 HydrophobicContact CD1-CD2 4.11Å; L767-L829 HydrophobicContact CD2-CD2 3.94Å; F773-L829 HydrophobicContact CD2-CD2 4.3Å; F773-L829 HydrophobicContact CE2-CD2 4.08Å; L825-L829 HydrophobicContact CD1-CD1 3.98Å; L825-L829 HydrophobicContact CD1-CG 4.23Å; L825-L829 HydrophobicContact CG-CD1 4.22Å; L825-L829 WeakPolarHBondContact O-CG 3.49Å; L825-L829 PolarHBondContact O-N 2.75Å; L829-K831 VanDerWaalsContact C-N 3.34Å; L829-M832 PolarHBondContact O-N 2.84Å; L829-C834 HydrophobicContact CB-CB 4.16Å; L829-C834 HydrophobicContact CD2-CB 4.24Å; L829-C834 VanDerWaalsContact O-CB 3.31Å; L829-C834 WeakPolarHBondContact O-CB 3.49Å; L829-C834 PolarHBondContact O-N 3.07Å; L829-L837 HydrophobicContact CD1-CD2 4.05Å; L829-L837 HydrophobicContact CD1-CG 4.17Å; L829-L837 HydrophobicContact CD2-CD2 3.88Å; L829-V838 HydrophobicContact CB-CG2 3.4Å; L829-V838 HydrophobicContact CD1-CG2 4.09Å; L829-V838 HydrophobicContact CG-CG2 4.42Å; L829-L841 HydrophobicContact CD1-CD1 3.72Å
830	L	91	Very high	88.4	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-67.6	-33.1	173.9	-71.1	178.4	0	0	0	112.4	L742 L746 M826 A828 M832 D833 V838 L946 L949 F954	L742-L830 HydrophobicContact CD1-CB 3.88Å; L742-L830 HydrophobicContact CD1-CD1 3.46Å; L742-L830 VanDerWaalsContact CD1-CD1 3.46Å; L742-L830 HydrophobicContact CD1-CG 4.31Å; L746-L830 HydrophobicContact CD1-CD1 4.22Å; L746-L830 HydrophobicContact CD2-CD1 3.83Å; L746-L830 HydrophobicContact CG-CD1 4.23Å; M826-L830 VanDerWaalsContact O-CB 3.27Å; M826-L830 WeakPolarHBondContact O-CB 3.38Å; M826-L830 VanDerWaalsContact O-CG 3.23Å; M826-L830 WeakPolarHBondContact O-CG 3.49Å; M826-L830 PolarHBondContact O-N 3.33Å; A828-L830 PolarHBondContact O-N 3.08Å; L830-M832 PolarHBondContact O-N 3.44Å; L830-D833 PolarHBondContact O-N 2.79Å; L830-V838 HydrophobicContact CD2-CB 4.1Å; L830-V838 HydrophobicContact CD2-CG1 3.91Å; L830-V838 HydrophobicContact CD2-CG2 3.94Å; L830-V838 HydrophobicContact CG-CG1 4.16Å; L830-V838 HydrophobicContact CG-CG2 4.02Å; L830-L946 HydrophobicContact CD1-CD2 4.19Å; L830-L946 HydrophobicContact CD2-CD2 3.81Å; L830-L949 HydrophobicContact CB-CD2 4.47Å; L830-L949 HydrophobicContact CD1-CD2 4.04Å; L830-F954 WeakPolarHBondContact O-CE2 3.38Å; L830-F954 VanDerWaalsContact O-CZ 3.28Å; L830-F954 WeakPolarHBondContact O-CZ 3.27Å
831	K	90.3	Very high	88.8	Confident	77 Å²	77	21.8 Å²	21.8	34%	0.335	11%	0.112	S	C	.	.	H	α-helix	trans	-68	-19.6	173.3	-78.3	175.6	176.2	-176.9	0	114.3	F649 L742 A776 T827 A828 L829 F954	F649-K831 HydrophobicContact CB-CB 3.93Å; F649-K831 HydrophobicContact CB-CG 3.85Å; F649-K831 HydrophobicContact CD1-CG 4.34Å; F649-K831 HydrophobicContact CD2-CG 4.1Å; F649-K831 HydrophobicContact CG-CB 4.4Å; F649-K831 HydrophobicContact CG-CG 3.86Å; L742-K831 HydrophobicContact CD2-CG 4.35Å; A776-K831 HydrophobicContact CB-CB 4.41Å; T827-K831 HydrophobicContact CG2-CD 4.29Å; T827-K831 WeakPolarHBondContact O-CB 3.43Å; T827-K831 VanDerWaalsContact O-CG 3.26Å; T827-K831 WeakPolarHBondContact O-CG 3.49Å; T827-K831 PolarHBondContact O-N 3.19Å; A828-K831 WeakPolarHBondContact O-CB 3.31Å; A828-K831 PolarHBondContact O-N 3.27Å; A828-K831 VanDerWaalsContact O-N 3.14Å; L829-K831 VanDerWaalsContact C-N 3.34Å; K831-F954 WeakPolarHBondContact O-CZ 3.3Å
832	M	88.6	Confident	88.9	Confident	7 Å²	7	21.1 Å²	21.1	3%	0.034	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	6.2	177	-65.1	171.2	69	0	0	113.2	Y646 L767 F773 A776 A828 L829 L830 C834	Y646-M832 HydrophobicContact CD1-CB 3.95Å; Y646-M832 HydrophobicContact CD1-CE 3.83Å; Y646-M832 WeakPolarHBondContact CD1-O 3.5Å; Y646-M832 HydrophobicContact CD2-CE 3.75Å; Y646-M832 HydrophobicContact CE1-CB 4.45Å; Y646-M832 HydrophobicContact CE1-CE 3.71Å; Y646-M832 HydrophobicContact CE2-CE 3.63Å; Y646-M832 HydrophobicContact CG-CB 4.45Å; Y646-M832 HydrophobicContact CG-CE 3.85Å; L767-M832 HydrophobicContact CD2-CE 4.13Å; F773-M832 HydrophobicContact CB-CE 4.27Å; F773-M832 HydrophobicContact CB-SD 4.13Å; F773-M832 HydrophobicContact CD2-SD 4.07Å; A776-M832 HydrophobicContact CB-CG 3.76Å; A776-M832 HydrophobicContact CB-SD 3.96Å; A828-M832 WeakPolarHBondContact O-CG 3.43Å; A828-M832 PolarHBondContact O-N 3.06Å; A828-M832 VanDerWaalsContact O-N 3.13Å; L829-M832 PolarHBondContact O-N 2.84Å; L830-M832 PolarHBondContact O-N 3.44Å; M832-C834 PolarHBondContact O-N 2.89Å
833	D	86.6	Confident	89.1	Confident	18 Å²	18	22.8 Å²	22.8	10%	0.096	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	24.4	-168.6	-162.9	37	0	0	0	114.8	I635 P647 L830 Q835 R950 F954	I635-D833 WeakPolarHBondContact CD1-OD2 3.34Å; P647-D833 HydrophobicContact CG-CB 3.6Å; L830-D833 PolarHBondContact O-N 2.79Å; D833-Q835 PolarHBondContact O-N 2.91Å; D833-Q835 WeakPolarHBondContact OD1-CG 3.19Å; D833-R950 VanDerWaalsContact CG-NE 3.34Å; D833-R950 WeakPolarHBondContact OD1-CD 3.46Å; D833-R950 WeakPolarHBondContact OD1-CG 3.4Å; D833-R950 IonicContact OD1-CZ 3.3Å; D833-R950 IonicContact OD1-NE 3.06Å; D833-R950 PolarHBondContact OD1-NE 3.23Å; D833-R950 IonicContact OD1-NH2 2.7Å; D833-R950 IonicContact OD2-CZ 3.97Å; D833-R950 VanDerWaalsContact OD2-CZ 3.3Å; D833-R950 IonicContact OD2-NE 2.62Å; D833-R950 PolarHBondContact OD2-NE 2.81Å; D833-R950 IonicContact OD2-NH2 2.68Å; D833-R950 PolarHBondContact OD2-NH2 3.3Å; D833-F954 HydrophobicContact CB-CD2 4.03Å; D833-F954 HydrophobicContact CB-CE1 4.27Å; D833-F954 HydrophobicContact CB-CE2 3.74Å; D833-F954 HydrophobicContact CB-CG 4.43Å; D833-F954 HydrophobicContact CB-CZ 3.87Å
834	C	88.4	Confident	89.1	Confident	17 Å²	17	23.8 Å²	23.8	12%	0.115	12%	0.124	C	C	.	.			trans	-76.6	40.8	175.3	-63.2	0	0	0	0	112.5	L829 M832 G836 L837 V838	L829-C834 HydrophobicContact CB-CB 4.16Å; L829-C834 HydrophobicContact CD2-CB 4.24Å; L829-C834 VanDerWaalsContact O-CB 3.31Å; L829-C834 WeakPolarHBondContact O-CB 3.49Å; L829-C834 PolarHBondContact O-N 3.07Å; M832-C834 PolarHBondContact O-N 2.89Å; C834-G836 VanDerWaalsContact C-N 3.34Å; C834-G836 PolarHBondContact O-N 2.86Å; C834-L837 HydrophobicContact CB-CB 4.24Å; C834-L837 WeakPolarHBondContact O-CB 3.49Å; C834-L837 PolarHBondContact O-N 2.89Å; C834-V838 PolarHBondContact O-N 2.96Å
835	Q	84.9	Confident	89.1	Confident	18 Å²	18	22 Å²	22	8%	0.084	12%	0.116	C	C	.	.	H	α-helix	trans	-52.4	-46.7	-173.9	-61.5	-75.1	-8	0	0	112.5	D833 L837 V838 V839 R950	D833-Q835 PolarHBondContact O-N 2.91Å; D833-Q835 WeakPolarHBondContact OD1-CG 3.19Å; Q835-L837 VanDerWaalsContact C-N 3.3Å; Q835-L837 PolarHBondContact O-N 2.82Å; Q835-V838 PolarHBondContact O-N 2.75Å; Q835-V839 WeakPolarHBondContact O-CG2 3.35Å; Q835-V839 PolarHBondContact O-N 2.84Å; Q835-R950 HydrophobicContact CG-CG 4.35Å
836	G	83.6	Confident	89	Confident	46 Å²	46	22.1 Å²	22.1	47%	0.474	12%	0.116	S	C	.	.	H	α-helix	trans	-65.4	-29.2	179.2	0	0	0	0	0	114.1	C834 R840	C834-G836 VanDerWaalsContact C-N 3.34Å; C834-G836 PolarHBondContact O-N 2.86Å; G836-R840 WeakPolarHBondContact O-CG 3.4Å; G836-R840 PolarHBondContact O-N 2.76Å
837	L	86.9	Confident	88.9	Confident	10 Å²	10	22.1 Å²	22.1	5%	0.052	12%	0.116	C	C	.	.	H	α-helix	trans	-73.6	-42.5	173.8	178.8	59.5	0	0	0	110.7	L762 L763 N766 L767 L829 C834 Q835 V839 R840 L841	L762-L837 HydrophobicContact CB-CD1 4.3Å; L762-L837 HydrophobicContact CD2-CD1 3.53Å; L762-L837 HydrophobicContact CG-CD1 3.54Å; L763-L837 HydrophobicContact CD1-CD2 4.41Å; L763-L837 HydrophobicContact CG-CD2 4.46Å; N766-L837 HydrophobicContact CB-CD1 4.12Å; N766-L837 HydrophobicContact CB-CD2 4.14Å; L767-L837 HydrophobicContact CD2-CD2 4.17Å; L767-L837 HydrophobicContact CG-CD2 4.35Å; L829-L837 HydrophobicContact CD1-CD2 4.05Å; L829-L837 HydrophobicContact CD1-CG 4.17Å; L829-L837 HydrophobicContact CD2-CD2 3.88Å; C834-L837 HydrophobicContact CB-CB 4.24Å; C834-L837 WeakPolarHBondContact O-CB 3.49Å; C834-L837 PolarHBondContact O-N 2.89Å; Q835-L837 VanDerWaalsContact C-N 3.3Å; Q835-L837 PolarHBondContact O-N 2.82Å; L837-V839 VanDerWaalsContact C-N 3.35Å; L837-V839 PolarHBondContact O-N 2.97Å; L837-R840 PolarHBondContact O-N 2.82Å; L837-L841 HydrophobicContact CD1-CD1 4.36Å; L837-L841 HydrophobicContact CD1-CG 4.47Å; L837-L841 HydrophobicContact CG-CD1 4.19Å; L837-L841 WeakPolarHBondContact O-CG 3.21Å; L837-L841 PolarHBondContact O-N 2.75Å; L837-L841 VanDerWaalsContact O-N 3.07Å
838	V	89.6	Confident	88.8	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.7	-43.3	175.1	171.8	0	0	0	0	111.3	M826 L829 L830 C834 Q835 L841 I842	M826-V838 HydrophobicContact SD-CB 4.23Å; M826-V838 HydrophobicContact SD-CG1 3.83Å; M826-V838 HydrophobicContact SD-CG2 4.04Å; L829-V838 HydrophobicContact CB-CG2 3.4Å; L829-V838 HydrophobicContact CD1-CG2 4.09Å; L829-V838 HydrophobicContact CG-CG2 4.42Å; L830-V838 HydrophobicContact CD2-CB 4.1Å; L830-V838 HydrophobicContact CD2-CG1 3.91Å; L830-V838 HydrophobicContact CD2-CG2 3.94Å; L830-V838 HydrophobicContact CG-CG1 4.16Å; L830-V838 HydrophobicContact CG-CG2 4.02Å; C834-V838 PolarHBondContact O-N 2.96Å; Q835-V838 PolarHBondContact O-N 2.75Å; V838-L841 PolarHBondContact O-N 2.85Å; V838-I842 HydrophobicContact CG1-CD1 3.53Å; V838-I842 HydrophobicContact CG1-CG1 4.33Å; V838-I842 WeakPolarHBondContact O-CB 3.41Å; V838-I842 VanDerWaalsContact O-CG1 3.23Å; V838-I842 WeakPolarHBondContact O-CG1 3.32Å; V838-I842 PolarHBondContact O-N 2.92Å
839	V	88.3	Confident	88.6	Confident	17 Å²	17	21.2 Å²	21.2	10%	0.103	11%	0.11	C	C	.	.	H	α-helix	trans	-57.3	-50.7	175.4	162.4	0	0	0	0	112	Q835 L837 I842 Q843 Y911 L946	Q835-V839 WeakPolarHBondContact O-CG2 3.35Å; Q835-V839 PolarHBondContact O-N 2.84Å; L837-V839 VanDerWaalsContact C-N 3.35Å; L837-V839 PolarHBondContact O-N 2.97Å; V839-I842 PolarHBondContact O-N 2.7Å; V839-Q843 PolarHBondContact O-N 2.85Å; V839-Y911 HydrophobicContact CB-CD2 4.32Å; V839-Y911 HydrophobicContact CB-CE2 4.37Å; V839-Y911 HydrophobicContact CG1-CD1 3.65Å; V839-Y911 HydrophobicContact CG1-CD2 3.45Å; V839-Y911 VanDerWaalsContact CG1-CD2 3.45Å; V839-Y911 HydrophobicContact CG1-CE1 4.09Å; V839-Y911 HydrophobicContact CG1-CE2 3.89Å; V839-Y911 HydrophobicContact CG1-CG 3.31Å; V839-Y911 HydrophobicContact CG2-CD2 3.94Å; V839-Y911 HydrophobicContact CG2-CE1 4.39Å; V839-Y911 HydrophobicContact CG2-CE2 3.52Å; V839-L946 HydrophobicContact CG2-CD1 3.56Å
840	R	86.9	Confident	88.4	Confident	128 Å²	128	21.2 Å²	21.2	48%	0.483	11%	0.111	S	C	.	.	H	α-helix	trans	-58.9	-50.5	178.3	-70.3	172.9	-171.5	158.5	1.8	111.6	L762 N766 G836 L837 I842 Q843 D844	L762-R840 HydrophobicContact CD2-CB 4.04Å; N766-R840 PolarHBondContact OD1-NH1 2.97Å; G836-R840 WeakPolarHBondContact O-CG 3.4Å; G836-R840 PolarHBondContact O-N 2.76Å; L837-R840 PolarHBondContact O-N 2.82Å; R840-I842 VanDerWaalsContact C-N 3.29Å; R840-I842 PolarHBondContact O-N 2.9Å; R840-Q843 PolarHBondContact O-N 2.84Å; R840-Q843 VanDerWaalsContact O-N 3.16Å; R840-D844 PolarHBondContact O-N 2.86Å
841	L	89.8	Confident	88.3	Confident	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-59.2	-40.3	178.8	-68.7	169.5	0	0	0	111.7	V759 L762 L763 M826 L829 L837 V838 F845	V759-L841 HydrophobicContact CG2-CD2 4.19Å; L762-L841 HydrophobicContact CB-CD2 4.42Å; L762-L841 HydrophobicContact CD2-CD2 3.71Å; L762-L841 HydrophobicContact CD2-CG 3.93Å; L763-L841 HydrophobicContact CD1-CD1 4.05Å; M826-L841 HydrophobicContact CE-CB 3.48Å; M826-L841 VanDerWaalsContact CE-CB 3.48Å; M826-L841 HydrophobicContact CE-CD1 3.89Å; M826-L841 HydrophobicContact CE-CG 4.3Å; M826-L841 HydrophobicContact SD-CB 4.43Å; M826-L841 HydrophobicContact SD-CD1 4.29Å; L829-L841 HydrophobicContact CD1-CD1 3.72Å; L837-L841 HydrophobicContact CD1-CD1 4.36Å; L837-L841 HydrophobicContact CD1-CG 4.47Å; L837-L841 HydrophobicContact CG-CD1 4.19Å; L837-L841 WeakPolarHBondContact O-CG 3.21Å; L837-L841 PolarHBondContact O-N 2.75Å; L837-L841 VanDerWaalsContact O-N 3.07Å; V838-L841 PolarHBondContact O-N 2.85Å; L841-F845 HydrophobicContact CB-CE1 4.38Å; L841-F845 HydrophobicContact CB-CZ 4.29Å; L841-F845 HydrophobicContact CD2-CE1 4.28Å; L841-F845 HydrophobicContact CD2-CZ 4.42Å; L841-F845 VanDerWaalsContact O-CB 3.3Å; L841-F845 WeakPolarHBondContact O-CB 3.45Å; L841-F845 WeakPolarHBondContact O-CD1 3.16Å; L841-F845 WeakPolarHBondContact O-CG 3.36Å; L841-F845 PolarHBondContact O-N 3.36Å
842	I	89.8	Confident	88	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-67.7	-38.8	177.9	-73.7	172.3	0	0	0	111.7	M826 V838 V839 R840 F845 V846 I915 T939 L942 V943	M826-I842 HydrophobicContact CE-CG1 4.34Å; V838-I842 HydrophobicContact CG1-CD1 3.53Å; V838-I842 HydrophobicContact CG1-CG1 4.33Å; V838-I842 WeakPolarHBondContact O-CB 3.41Å; V838-I842 VanDerWaalsContact O-CG1 3.23Å; V838-I842 WeakPolarHBondContact O-CG1 3.32Å; V838-I842 PolarHBondContact O-N 2.92Å; V839-I842 PolarHBondContact O-N 2.7Å; R840-I842 VanDerWaalsContact C-N 3.29Å; R840-I842 PolarHBondContact O-N 2.9Å; I842-F845 PolarHBondContact O-N 3.13Å; I842-V846 HydrophobicContact CG2-CG2 4.43Å; I842-V846 WeakPolarHBondContact O-CB 3.39Å; I842-V846 VanDerWaalsContact O-CG2 3.29Å; I842-V846 WeakPolarHBondContact O-CG2 3.36Å; I842-V846 PolarHBondContact O-N 2.88Å; I842-I915 HydrophobicContact CG2-CD1 4.47Å; I842-T939 HydrophobicContact CG2-CG2 3.31Å; I842-L942 HydrophobicContact CD1-CD1 3.65Å; I842-L942 HydrophobicContact CD1-CD2 3.51Å; I842-L942 HydrophobicContact CD1-CG 4.28Å; I842-V943 HydrophobicContact CG2-CG2 4.13Å
843	Q	88.6	Confident	87.7	Confident	43 Å²	43	25 Å²	25	20%	0.201	13%	0.133	C	C	.	.	H	α-helix	trans	-62.4	-50.5	174.1	180	168.6	-18.6	0	0	111	V839 R840 F845 V846 L847	V839-Q843 PolarHBondContact O-N 2.85Å; R840-Q843 PolarHBondContact O-N 2.84Å; R840-Q843 VanDerWaalsContact O-N 3.16Å; Q843-F845 VanDerWaalsContact C-N 3.33Å; Q843-F845 PolarHBondContact O-N 2.93Å; Q843-V846 PolarHBondContact O-N 3.24Å; Q843-L847 HydrophobicContact CG-CD1 3.92Å; Q843-L847 HydrophobicContact CG-CG 4.5Å; Q843-L847 VanDerWaalsContact O-CG 3.3Å; Q843-L847 WeakPolarHBondContact O-CG 3.27Å; Q843-L847 PolarHBondContact O-N 3.33Å
844	D	87.8	Confident	87.6	Confident	51 Å²	51	24.4 Å²	24.4	27%	0.273	13%	0.13	S	C	.	.	H	α-helix	trans	-55.5	-47	175.8	-72.8	-16.5	0	0	0	111.9	R840 L847 L848	R840-D844 PolarHBondContact O-N 2.86Å; D844-L847 PolarHBondContact O-N 3.16Å; D844-L848 WeakPolarHBondContact O-CB 3.49Å; D844-L848 PolarHBondContact O-N 3.37Å
845	F	89.8	Confident	87.4	Confident	6 Å²	6	24.7 Å²	24.7	3%	0.026	13%	0.134	C	C	.	.	H	α-helix	trans	-65.9	-40.6	-179	-68.5	8.2	0	0	0	111.3	L752 Y754 V759 Q822 M826 L841 I842 Q843 T849	L752-F845 HydrophobicContact CB-CB 3.95Å; L752-F845 HydrophobicContact CB-CD2 4.42Å; L752-F845 HydrophobicContact CD1-CB 3.95Å; L752-F845 HydrophobicContact CD1-CD2 4.39Å; Y754-F845 VanDerWaalsContact CB-CE1 3.47Å; Y754-F845 HydrophobicContact CG-CZ 4.42Å; V759-F845 HydrophobicContact CG2-CE1 3.54Å; V759-F845 HydrophobicContact CG2-CZ 3.59Å; Q822-F845 HydrophobicContact CB-CE2 4.5Å; Q822-F845 HydrophobicContact CG-CE2 3.95Å; Q822-F845 VanDerWaalsContact NE2-CD2 3.33Å; M826-F845 HydrophobicContact CE-CD2 4.13Å; M826-F845 HydrophobicContact CE-CE2 3.43Å; M826-F845 VanDerWaalsContact CE-CE2 3.43Å; M826-F845 HydrophobicContact CE-CZ 3.91Å; L841-F845 HydrophobicContact CB-CE1 4.38Å; L841-F845 HydrophobicContact CB-CZ 4.29Å; L841-F845 HydrophobicContact CD2-CE1 4.28Å; L841-F845 HydrophobicContact CD2-CZ 4.42Å; L841-F845 VanDerWaalsContact O-CB 3.3Å; L841-F845 WeakPolarHBondContact O-CB 3.45Å; L841-F845 WeakPolarHBondContact O-CD1 3.16Å; L841-F845 WeakPolarHBondContact O-CG 3.36Å; L841-F845 PolarHBondContact O-N 3.36Å; I842-F845 PolarHBondContact O-N 3.13Å; Q843-F845 VanDerWaalsContact C-N 3.33Å; Q843-F845 PolarHBondContact O-N 2.93Å; F845-T849 WeakPolarHBondContact O-CB 3.24Å; F845-T849 PolarHBondContact O-N 2.94Å; F845-T849 PolarHBondContact O-OG1 3.38Å
846	V	90.1	Very high	87.2	Confident	1 Å²	1	30 Å²	30	1%	0.006	16%	0.159	C	C	.	.	H	α-helix	trans	-65.4	-45.9	176.8	162.6	0	0	0	0	111.3	I842 Q843 T849 T850 I915 L918 L936 T939	I842-V846 HydrophobicContact CG2-CG2 4.43Å; I842-V846 WeakPolarHBondContact O-CB 3.39Å; I842-V846 VanDerWaalsContact O-CG2 3.29Å; I842-V846 WeakPolarHBondContact O-CG2 3.36Å; I842-V846 PolarHBondContact O-N 2.88Å; Q843-V846 PolarHBondContact O-N 3.24Å; V846-T849 PolarHBondContact O-N 2.71Å; V846-T850 WeakPolarHBondContact O-CB 3.5Å; V846-T850 PolarHBondContact O-N 2.93Å; V846-T850 PolarHBondContact O-OG1 2.83Å; V846-I915 HydrophobicContact CG1-CG1 4.48Å; V846-L918 HydrophobicContact CG1-CD2 3.64Å; V846-L936 HydrophobicContact CG1-CD1 3.63Å; V846-L936 HydrophobicContact CG2-CD1 4.27Å; V846-T939 HydrophobicContact CG2-CG2 3.66Å
847	L	90.4	Very high	87.3	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-62.9	-45	178.9	-66.3	169.3	0	0	0	110.8	Q843 D844 T850 A851 Y897 L900 W903 L918	Q843-L847 HydrophobicContact CG-CD1 3.92Å; Q843-L847 HydrophobicContact CG-CG 4.5Å; Q843-L847 VanDerWaalsContact O-CG 3.3Å; Q843-L847 WeakPolarHBondContact O-CG 3.27Å; Q843-L847 PolarHBondContact O-N 3.33Å; D844-L847 PolarHBondContact O-N 3.16Å; L847-T850 PolarHBondContact O-N 2.9Å; L847-A851 WeakPolarHBondContact O-CB 3.42Å; L847-A851 PolarHBondContact O-N 2.82Å; L847-Y897 HydrophobicContact CB-CE2 4.12Å; L847-L900 HydrophobicContact CD2-CB 4.12Å; L847-W903 HydrophobicContact CD2-CE3 4.44Å; L847-W903 HydrophobicContact CD2-CZ3 4.27Å; L847-L918 HydrophobicContact CD2-CD2 4.11Å
848	L	88.7	Confident	87.4	Confident	2 Å²	2	31.1 Å²	31.1	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-66.9	-44.1	178.1	-177.2	62.7	0	0	0	112.8	T753 I755 D844 T850 A851 V852 W893 Y897	T753-L848 HydrophobicContact CG2-CD2 3.95Å; T753-L848 HydrophobicContact CG2-CG 4.06Å; I755-L848 HydrophobicContact CD1-CD2 4.2Å; I755-L848 HydrophobicContact CG1-CD2 3.55Å; D844-L848 WeakPolarHBondContact O-CB 3.49Å; D844-L848 PolarHBondContact O-N 3.37Å; L848-T850 VanDerWaalsContact C-N 3.27Å; L848-T850 PolarHBondContact O-N 2.81Å; L848-A851 PolarHBondContact O-N 2.82Å; L848-V852 HydrophobicContact CD1-CG2 4.37Å; L848-V852 WeakPolarHBondContact O-CG2 3.42Å; L848-V852 PolarHBondContact O-N 2.85Å; L848-W893 HydrophobicContact CD1-CE3 4.12Å; L848-W893 HydrophobicContact CD1-CZ3 4.02Å; L848-Y897 HydrophobicContact CB-CD2 4.09Å; L848-Y897 HydrophobicContact CB-CE2 3.73Å; L848-Y897 HydrophobicContact CD1-CD2 3.95Å; L848-Y897 HydrophobicContact CD1-CE2 4.12Å; L848-Y897 HydrophobicContact CD1-CG 4.22Å
849	T	87.7	Confident	87.3	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.012	16%	0.161	C	C	.	.	H	α-helix	trans	-62.3	-40.3	176.7	-46.6	0	0	0	0	110.5	L752 T753 F845 V846 V852 E853 W933	L752-T849 VanDerWaalsContact CA-OG1 3.31Å; L752-T849 WeakPolarHBondContact CA-OG1 3.23Å; T753-T849 PolarHBondContact N-OG1 3.27Å; F845-T849 WeakPolarHBondContact O-CB 3.24Å; F845-T849 PolarHBondContact O-N 2.94Å; F845-T849 PolarHBondContact O-OG1 3.38Å; V846-T849 PolarHBondContact O-N 2.71Å; T849-V852 PolarHBondContact O-N 2.85Å; T849-E853 HydrophobicContact CG2-CG 4.21Å; T849-E853 WeakPolarHBondContact O-CB 3.46Å; T849-E853 WeakPolarHBondContact O-CG 3.5Å; T849-E853 PolarHBondContact O-N 3.17Å; T849-W933 VanDerWaalsContact CB-CZ2 3.5Å; T849-W933 HydrophobicContact CG2-CH2 4.04Å; T849-W933 HydrophobicContact CG2-CZ2 3.29Å
850	T	88.5	Confident	87.3	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.006	16%	0.164	C	C	.	.	H	α-helix	trans	-63.2	-45.1	176.3	-52.9	0	0	0	0	111.1	V846 L847 L848 V852 E853 V854 L861 L900 L918 L922 W933	V846-T850 WeakPolarHBondContact O-CB 3.5Å; V846-T850 PolarHBondContact O-N 2.93Å; V846-T850 PolarHBondContact O-OG1 2.83Å; L847-T850 PolarHBondContact O-N 2.9Å; L848-T850 VanDerWaalsContact C-N 3.27Å; L848-T850 PolarHBondContact O-N 2.81Å; T850-V852 VanDerWaalsContact C-N 3.32Å; T850-V852 PolarHBondContact O-N 2.75Å; T850-E853 PolarHBondContact O-N 3.19Å; T850-V854 HydrophobicContact CG2-CG2 3.8Å; T850-V854 WeakPolarHBondContact O-CB 3.38Å; T850-V854 WeakPolarHBondContact O-CG2 3.34Å; T850-V854 PolarHBondContact O-N 3.03Å; T850-L861 HydrophobicContact CG2-CD2 3.92Å; T850-L900 HydrophobicContact CG2-CD1 3.83Å; T850-L918 HydrophobicContact CG2-CD1 4.15Å; T850-L918 HydrophobicContact CG2-CD2 4.46Å; T850-L922 HydrophobicContact CG2-CD1 3.93Å; T850-L922 HydrophobicContact CG2-CD2 3.96Å; T850-L922 HydrophobicContact CG2-CG 4.39Å; T850-W933 VanDerWaalsContact OG1-CH2 3.31Å; T850-W933 WeakPolarHBondContact OG1-CH2 3.3Å; T850-W933 VanDerWaalsContact OG1-CZ3 3.3Å; T850-W933 WeakPolarHBondContact OG1-CZ3 3.41Å
851	A	88	Confident	87.4	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-58.3	-42.8	177.5	0	0	0	0	0	112.6	L847 L848 A855 W893 A896 Y897 L900	L847-A851 WeakPolarHBondContact O-CB 3.42Å; L847-A851 PolarHBondContact O-N 2.82Å; L848-A851 PolarHBondContact O-N 2.82Å; A851-A855 PolarHBondContact O-N 2.74Å; A851-W893 WeakPolarHBondContact O-CB 3.38Å; A851-A896 HydrophobicContact CB-CB 4Å; A851-Y897 HydrophobicContact CB-CD2 4.15Å; A851-Y897 HydrophobicContact CB-CG 4.39Å; A851-L900 HydrophobicContact CB-CD1 4.17Å
852	V	85	Confident	87.3	Confident	55 Å²	55	29.5 Å²	29.5	33%	0.333	14%	0.141	S	C	.	.	H	α-helix	trans	-72	-44.5	179.1	174.7	0	0	0	0	112.6	T753 L848 T849 T850 V854 W893	T753-V852 HydrophobicContact CG2-CG2 4.39Å; L848-V852 HydrophobicContact CD1-CG2 4.37Å; L848-V852 WeakPolarHBondContact O-CG2 3.42Å; L848-V852 PolarHBondContact O-N 2.85Å; T849-V852 PolarHBondContact O-N 2.85Å; T850-V852 VanDerWaalsContact C-N 3.32Å; T850-V852 PolarHBondContact O-N 2.75Å; V852-V854 VanDerWaalsContact C-N 3.33Å; V852-V854 PolarHBondContact O-N 3.48Å; V852-W893 HydrophobicContact CB-CB 4.46Å; V852-W893 HydrophobicContact CG2-CB 3.96Å; V852-W893 HydrophobicContact CG2-CD2 4.25Å; V852-W893 HydrophobicContact CG2-CE3 4.43Å; V852-W893 HydrophobicContact CG2-CG 4.05Å
853	E	82.9	Confident	87.1	Confident	107 Å²	107	34.1 Å²	34.1	50%	0.5	16%	0.163	S	C	.	.	H	α-helix	trans	-69.8	-27.8	178.3	-76.6	-80.4	155.8	0	0	113.2	T849 T850	T849-E853 HydrophobicContact CG2-CG 4.21Å; T849-E853 WeakPolarHBondContact O-CB 3.46Å; T849-E853 WeakPolarHBondContact O-CG 3.5Å; T849-E853 PolarHBondContact O-N 3.17Å; T850-E853 PolarHBondContact O-N 3.19Å
854	V	83.9	Confident	87.1	Confident	6 Å²	6	35.2 Å²	35.2	4%	0.036	17%	0.167	C	C	.	.	H	α-helix	trans	-89	-41.5	-178.7	175.9	0	0	0	0	111.4	T850 V852 Q856 R857 W858 L861 L922 M925 I929	T850-V854 HydrophobicContact CG2-CG2 3.8Å; T850-V854 WeakPolarHBondContact O-CB 3.38Å; T850-V854 WeakPolarHBondContact O-CG2 3.34Å; T850-V854 PolarHBondContact O-N 3.03Å; V852-V854 VanDerWaalsContact C-N 3.33Å; V852-V854 PolarHBondContact O-N 3.48Å; V854-Q856 PolarHBondContact O-N 3.11Å; V854-R857 VanDerWaalsContact CG1-C 3.48Å; V854-R857 HydrophobicContact CG1-CB 4.11Å; V854-R857 WeakPolarHBondContact O-CB 3.35Å; V854-R857 PolarHBondContact O-N 2.92Å; V854-W858 VanDerWaalsContact CG1-CA 3.46Å; V854-W858 HydrophobicContact CG1-CB 4.07Å; V854-L861 HydrophobicContact CG1-CB 4.25Å; V854-L861 HydrophobicContact CG1-CD2 4.3Å; V854-L861 HydrophobicContact CG2-CD2 4.06Å; V854-L922 HydrophobicContact CG2-CD2 3.7Å; V854-M925 HydrophobicContact CG1-CE 4.25Å; V854-I929 HydrophobicContact CB-CD1 4.42Å; V854-I929 HydrophobicContact CG2-CD1 3.67Å
855	A	83.8	Confident	87	Confident	24 Å²	24	34.2 Å²	34.2	20%	0.198	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	38	-114.4	176.6	0	0	0	0	0	113.5	A851 R857 W858 M892	A851-A855 PolarHBondContact O-N 2.74Å; A855-R857 PolarHBondContact O-N 3.29Å; A855-W858 VanDerWaalsContact O-CB 3.29Å; A855-W858 WeakPolarHBondContact O-CB 3.45Å; A855-W858 VanDerWaalsContact O-CD1 3.3Å; A855-W858 PolarHBondContact O-N 2.95Å; A855-M892 HydrophobicContact CB-CB 4.45Å
856	Q	81.1	Confident	86.7	Confident	130 Å²	130	37.3 Å²	37.3	61%	0.607	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-54.3	-23.6	-179.2	-62.7	173.1	10.8	0	0	114.6	V854 W858 M892	V854-Q856 PolarHBondContact O-N 3.11Å; Q856-W858 VanDerWaalsContact C-N 3.34Å; Q856-M892 HydrophobicContact CG-CB 4.37Å; Q856-M892 HydrophobicContact CG-CG 4.18Å
857	R	85.8	Confident	86.3	Confident	75 Å²	75	46 Å²	46	28%	0.283	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-88.6	7.7	178.7	-63.8	179.2	61	-151.8	-1.6	113.7	V854 A855 R859 E860 L861 M925 N927	V854-R857 VanDerWaalsContact CG1-C 3.48Å; V854-R857 HydrophobicContact CG1-CB 4.11Å; V854-R857 WeakPolarHBondContact O-CB 3.35Å; V854-R857 PolarHBondContact O-N 2.92Å; A855-R857 PolarHBondContact O-N 3.29Å; R857-R859 VanDerWaalsContact C-N 3.26Å; R857-R859 PolarHBondContact O-N 3.09Å; R857-E860 IonicContact CZ-OE2 2.75Å; R857-E860 VanDerWaalsContact CZ-OE2 3.26Å; R857-E860 IonicContact NE-OE2 3.97Å; R857-E860 PolarHBondContact NE-OE2 2.84Å; R857-E860 IonicContact NH2-OE1 2.93Å; R857-E860 IonicContact NH2-OE2 3.85Å; R857-E860 PolarHBondContact NH2-OE2 3.26Å; R857-E860 VanDerWaalsContact O-CB 3.32Å; R857-E860 WeakPolarHBondContact O-CB 3.49Å; R857-E860 PolarHBondContact O-N 3.29Å; R857-L861 PolarHBondContact O-N 2.92Å; R857-M925 HydrophobicContact CB-CE 4Å; R857-N927 PolarHBondContact NH1-O 3.35Å; R857-N927 PolarHBondContact NH2-O 2.92Å
858	W	88.5	Confident	85.8	Confident	3 Å²	3	46.8 Å²	46.8	1%	0.011	22%	0.223	C	C	.	.	H	α-helix	trans	-62.4	-34.4	-174.7	82.8	-86.7	0	0	0	112.7	V854 A855 Q856 E860 L861 A862 M873 Y876 E877 P895 A896 F899	V854-W858 VanDerWaalsContact CG1-CA 3.46Å; V854-W858 HydrophobicContact CG1-CB 4.07Å; A855-W858 VanDerWaalsContact O-CB 3.29Å; A855-W858 WeakPolarHBondContact O-CB 3.45Å; A855-W858 VanDerWaalsContact O-CD1 3.3Å; A855-W858 PolarHBondContact O-N 2.95Å; Q856-W858 VanDerWaalsContact C-N 3.34Å; W858-E860 VanDerWaalsContact C-N 3.28Å; W858-E860 PolarHBondContact O-N 3.32Å; W858-L861 WeakPolarHBondContact O-CB 3.49Å; W858-L861 PolarHBondContact O-N 2.7Å; W858-A862 HydrophobicContact CE3-CB 4.17Å; W858-A862 HydrophobicContact CZ3-CB 4.06Å; W858-A862 PolarHBondContact O-N 2.67Å; W858-M873 HydrophobicContact CH2-CB 3.86Å; W858-M873 HydrophobicContact CH2-CG 4.1Å; W858-M873 HydrophobicContact CZ2-CB 4.09Å; W858-M873 WeakPolarHBondContact CZ2-O 3.42Å; W858-Y876 HydrophobicContact CH2-CD2 4.04Å; W858-Y876 HydrophobicContact CH2-CG 4.2Å; W858-Y876 HydrophobicContact CZ3-CD2 4.36Å; W858-E877 HydrophobicContact CZ2-CG 3.93Å; W858-E877 WeakPolarHBondContact CZ2-OE1 3.4Å; W858-E877 PolarHBondContact NE1-OE1 2.84Å; W858-P895 HydrophobicContact CZ2-CB 4.23Å; W858-A896 HydrophobicContact CB-CB 3.4Å; W858-A896 VanDerWaalsContact CB-CB 3.4Å; W858-A896 HydrophobicContact CD2-CB 4.46Å; W858-A896 HydrophobicContact CG-CB 3.82Å; W858-F899 HydrophobicContact CE3-CB 3.94Å; W858-F899 AromaticContact CE3-CD1 3.97Å; W858-F899 HydrophobicContact CE3-CD1 3.97Å; W858-F899 HydrophobicContact CE3-CG 4Å; W858-F899 HydrophobicContact CZ3-CB 3.59Å; W858-F899 HydrophobicContact CZ3-CD1 4.1Å; W858-F899 HydrophobicContact CZ3-CD2 4.27Å; W858-F899 AromaticContact CZ3-CG 3.68Å; W858-F899 HydrophobicContact CZ3-CG 3.68Å
859	R	88	Confident	85.4	Confident	76 Å²	76	48.9 Å²	48.9	29%	0.287	24%	0.238	S	C	.	.	H	α-helix	trans	-54.5	-42	171.1	-66	-172.7	178.8	-131.8	13.8	112.2	R857 E863 M873 D874 E877	R857-R859 VanDerWaalsContact C-N 3.26Å; R857-R859 PolarHBondContact O-N 3.09Å; R859-E863 WeakPolarHBondContact O-CB 3.43Å; R859-E863 PolarHBondContact O-N 3.23Å; R859-E863 VanDerWaalsContact O-N 3.09Å; R859-M873 HydrophobicContact CB-CE 4.45Å; R859-M873 HydrophobicContact CB-SD 3.62Å; R859-M873 HydrophobicContact CG-CB 4.36Å; R859-M873 HydrophobicContact CG-CG 4.45Å; R859-M873 HydrophobicContact CG-SD 3.77Å; R859-M873 WeakPolarHBondContact O-CE 3.5Å; R859-D874 IonicContact CZ-OD1 2.69Å; R859-D874 IonicContact NH1-OD1 3.87Å; R859-D874 PolarHBondContact NH1-OD1 3.02Å; R859-D874 IonicContact NH1-OD2 2.61Å; R859-D874 IonicContact NH2-OD1 3.26Å; R859-D874 PolarHBondContact NH2-OD1 2.71Å; R859-E877 IonicContact CZ-OE1 3.21Å; R859-E877 IonicContact CZ-OE2 3.47Å; R859-E877 IonicContact NE-OE1 2.83Å; R859-E877 PolarHBondContact NE-OE1 2.8Å; R859-E877 IonicContact NE-OE2 3.34Å; R859-E877 IonicContact NH2-OE1 2.7Å; R859-E877 PolarHBondContact NH2-OE1 3.44Å; R859-E877 IonicContact NH2-OE2 2.68Å; R859-E877 PolarHBondContact NH2-OE2 3.13Å
860	E	88.6	Confident	85	Confident	35 Å²	35	56.8 Å²	56.8	16%	0.164	27%	0.272	C	S	.	.	H	α-helix	trans	-64.2	-41.8	175.3	-177	-174.8	-171.5	0	0	111.1	R857 W858 E863 K864 M925 K926	R857-E860 IonicContact CZ-OE2 2.75Å; R857-E860 VanDerWaalsContact CZ-OE2 3.26Å; R857-E860 IonicContact NE-OE2 3.97Å; R857-E860 PolarHBondContact NE-OE2 2.84Å; R857-E860 IonicContact NH2-OE1 2.93Å; R857-E860 IonicContact NH2-OE2 3.85Å; R857-E860 PolarHBondContact NH2-OE2 3.26Å; R857-E860 VanDerWaalsContact O-CB 3.32Å; R857-E860 WeakPolarHBondContact O-CB 3.49Å; R857-E860 PolarHBondContact O-N 3.29Å; W858-E860 VanDerWaalsContact C-N 3.28Å; W858-E860 PolarHBondContact O-N 3.32Å; E860-E863 PolarHBondContact O-N 2.63Å; E860-K864 WeakPolarHBondContact O-CG 3.5Å; E860-K864 PolarHBondContact O-N 3.31Å; E860-K864 VanDerWaalsContact O-N 3.17Å; E860-M925 HydrophobicContact CB-CE 3.87Å; E860-M925 HydrophobicContact CG-CB 4.48Å; E860-M925 HydrophobicContact CG-CE 3.94Å; E860-M925 HydrophobicContact CG-CG 4.38Å; E860-M925 WeakPolarHBondContact OE2-CE 3.35Å; E860-K926 WeakPolarHBondContact OE1-CB 3.41Å; E860-K926 WeakPolarHBondContact OE1-CG 3.05Å; E860-K926 PolarHBondContact OE1-N 3.37Å
861	L	87.8	Confident	84.5	Confident	2 Å²	2	64.5 Å²	64.5	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-66.9	-45.9	179.3	-179.6	59.7	0	0	0	111.8	T850 V854 R857 W858 E863 K864 L865 L900 L918 L922 M925	T850-L861 HydrophobicContact CG2-CD2 3.92Å; V854-L861 HydrophobicContact CG1-CB 4.25Å; V854-L861 HydrophobicContact CG1-CD2 4.3Å; V854-L861 HydrophobicContact CG2-CD2 4.06Å; R857-L861 PolarHBondContact O-N 2.92Å; W858-L861 WeakPolarHBondContact O-CB 3.49Å; W858-L861 PolarHBondContact O-N 2.7Å; L861-E863 VanDerWaalsContact C-N 3.27Å; L861-E863 PolarHBondContact O-N 2.77Å; L861-K864 CarbonylContact O-C 3.55Å; L861-K864 PolarHBondContact O-N 2.83Å; L861-L865 HydrophobicContact CD1-CD1 3.87Å; L861-L865 HydrophobicContact CD1-CG 3.96Å; L861-L865 HydrophobicContact CD2-CD1 4.37Å; L861-L865 HydrophobicContact CG-CD1 3.75Å; L861-L865 HydrophobicContact CG-CG 4.26Å; L861-L865 WeakPolarHBondContact O-CG 3.35Å; L861-L865 PolarHBondContact O-N 3.02Å; L861-L900 HydrophobicContact CD2-CD2 4.16Å; L861-L918 HydrophobicContact CD2-CD1 4.41Å; L861-L922 HydrophobicContact CD1-CD2 3.95Å; L861-L922 HydrophobicContact CD1-CG 4.06Å; L861-L922 HydrophobicContact CD2-CD2 3.89Å; L861-M925 HydrophobicContact CB-CE 3.97Å; L861-M925 HydrophobicContact CB-SD 4.3Å; L861-M925 HydrophobicContact CD1-SD 4.27Å
862	A	87.9	Confident	84	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-58.8	-38.4	176.4	0	0	0	0	0	112.2	W858 K864 L865 V866 K867 V868 M873 F899	W858-A862 HydrophobicContact CE3-CB 4.17Å; W858-A862 HydrophobicContact CZ3-CB 4.06Å; W858-A862 PolarHBondContact O-N 2.67Å; A862-K864 VanDerWaalsContact C-N 3.35Å; A862-K864 PolarHBondContact O-N 3.41Å; A862-L865 PolarHBondContact O-N 3.14Å; A862-V866 PolarHBondContact O-N 2.83Å; A862-K867 PolarHBondContact O-N 3.09Å; A862-V868 HydrophobicContact CB-CB 4.29Å; A862-V868 HydrophobicContact CB-CG2 4.06Å; A862-M873 HydrophobicContact CB-CE 4.15Å; A862-F899 HydrophobicContact CB-CD1 4.02Å; A862-F899 HydrophobicContact CB-CD2 4.3Å; A862-F899 HydrophobicContact CB-CE1 3.59Å; A862-F899 HydrophobicContact CB-CE2 3.9Å; A862-F899 HydrophobicContact CB-CG 4.37Å; A862-F899 HydrophobicContact CB-CZ 3.54Å
863	E	87.2	Confident	83.7	Confident	97 Å²	97	67.5 Å²	67.5	45%	0.453	32%	0.319	S	S	.	.	H	α-helix	trans	-64.3	-34.7	173.2	-160.8	-167.9	-111.2	0	0	112.6	R859 E860 L861 K867 M873	R859-E863 WeakPolarHBondContact O-CB 3.43Å; R859-E863 PolarHBondContact O-N 3.23Å; R859-E863 VanDerWaalsContact O-N 3.09Å; E860-E863 PolarHBondContact O-N 2.63Å; L861-E863 VanDerWaalsContact C-N 3.27Å; L861-E863 PolarHBondContact O-N 2.77Å; E863-K867 WeakPolarHBondContact O-CA 3.3Å; E863-K867 PolarHBondContact O-N 3.44Å; E863-M873 HydrophobicContact CB-CE 4.05Å
864	K	87.1	Confident	83.5	Confident	66 Å²	66	65 Å²	65	29%	0.287	31%	0.309	S	S	.	.	H	α-helix	trans	-85.4	-17.9	177.9	-58.3	-41.8	162.7	-151.7	0	115	E860 L861 A862 K924	E860-K864 WeakPolarHBondContact O-CG 3.5Å; E860-K864 PolarHBondContact O-N 3.31Å; E860-K864 VanDerWaalsContact O-N 3.17Å; L861-K864 CarbonylContact O-C 3.55Å; L861-K864 PolarHBondContact O-N 2.83Å; A862-K864 VanDerWaalsContact C-N 3.35Å; A862-K864 PolarHBondContact O-N 3.41Å; K864-K924 HydrophobicContact CB-CB 3.75Å; K864-K924 HydrophobicContact CB-CD 4.41Å; K864-K924 HydrophobicContact CD-CB 4.48Å; K864-K924 HydrophobicContact CG-CB 3.94Å
865	L	85.4	Confident	83.4	Confident	30 Å²	30	67.7 Å²	67.7	16%	0.157	33%	0.332	C	S	.	.	H	α-helix	trans	-87.2	-55.7	176	-71.8	175.8	0	0	0	111.8	L861 A862 F899 L900 W903 L918	L861-L865 HydrophobicContact CD1-CD1 3.87Å; L861-L865 HydrophobicContact CD1-CG 3.96Å; L861-L865 HydrophobicContact CD2-CD1 4.37Å; L861-L865 HydrophobicContact CG-CD1 3.75Å; L861-L865 HydrophobicContact CG-CG 4.26Å; L861-L865 WeakPolarHBondContact O-CG 3.35Å; L861-L865 PolarHBondContact O-N 3.02Å; A862-L865 PolarHBondContact O-N 3.14Å; L865-F899 HydrophobicContact CD1-CE1 4.11Å; L865-F899 HydrophobicContact CD1-CZ 4.36Å; L865-L900 HydrophobicContact CD1-CD2 4.1Å; L865-W903 HydrophobicContact CD1-CD2 3.94Å; L865-W903 HydrophobicContact CD1-CE3 4.35Å; L865-W903 HydrophobicContact CD1-CG 4.43Å; L865-W903 HydrophobicContact CD1-CH2 4.46Å; L865-W903 HydrophobicContact CD1-CZ2 4.01Å; L865-W903 HydrophobicContact CD2-CH2 4.3Å; L865-W903 HydrophobicContact CD2-CZ2 3.59Å; L865-W903 HydrophobicContact CG-CZ2 4.29Å; L865-L918 HydrophobicContact CD1-CD1 4.18Å
866	V	84.2	Confident	83.2	Confident	71 Å²	71	69.3 Å²	69.3	43%	0.43	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.8	-3.1	-171.3	179.7	0	0	0	0	113.8	A862 V868 W903	A862-V866 PolarHBondContact O-N 2.83Å; V866-V868 VanDerWaalsContact C-N 3.28Å; V866-V868 HydrophobicContact CB-CG2 4.01Å; V866-V868 HydrophobicContact CG1-CG2 4.37Å; V866-V868 PolarHBondContact O-N 3.29Å; V866-W903 VanDerWaalsContact CG2-CD1 3.41Å
867	K	81.3	Confident	83.3	Confident	183 Å²	183	63.8 Å²	63.8	80%	0.796	31%	0.307	S	S	*	.			trans	58.3	38.9	-171.8	-50.5	177.3	-177.2	174.3	0	112.8	A862 E863	A862-K867 PolarHBondContact O-N 3.09Å; E863-K867 WeakPolarHBondContact O-CA 3.3Å; E863-K867 PolarHBondContact O-N 3.44Å
868	V	80.4	Confident	82.9	Confident	17 Å²	17	62.9 Å²	62.9	10%	0.103	32%	0.316	C	S	.	.			trans	-49.6	139.7	177.6	-177.5	0	0	0	0	110.9	A862 V866 Q872 M873 F899	A862-V868 HydrophobicContact CB-CB 4.29Å; A862-V868 HydrophobicContact CB-CG2 4.06Å; V866-V868 VanDerWaalsContact C-N 3.28Å; V866-V868 HydrophobicContact CB-CG2 4.01Å; V866-V868 HydrophobicContact CG1-CG2 4.37Å; V866-V868 PolarHBondContact O-N 3.29Å; V868-Q872 HydrophobicContact CG1-CB 3.44Å; V868-Q872 VanDerWaalsContact CG1-CB 3.44Å; V868-Q872 HydrophobicContact CG1-CG 4.5Å; V868-M873 HydrophobicContact CB-CE 4.14Å; V868-M873 HydrophobicContact CB-CG 4.43Å; V868-M873 HydrophobicContact CG1-CG 3.93Å; V868-M873 WeakPolarHBondContact O-CE 3.23Å; V868-F899 HydrophobicContact CG2-CE2 3.79Å; V868-F899 HydrophobicContact CG2-CZ 4.38Å
869	S	80.1	Confident	82.5	Confident	46 Å²	46	66.9 Å²	66.9	32%	0.322	34%	0.342	S	S	.	.			trans	-74.4	157.8	179	87	0	0	0	0	111.8	Q871 Q872 M873	S869-Q871 VanDerWaalsContact C-N 3.32Å; S869-Q871 PolarHBondContact O-N 3.4Å; S869-Q872 WeakPolarHBondContact O-CB 3.23Å; S869-Q872 PolarHBondContact O-N 3.16Å; S869-Q872 VanDerWaalsContact O-N 3.13Å; S869-Q872 WeakPolarHBondContact OG-CG 3.32Å; S869-Q872 PolarHBondContact OG-N 3.09Å; S869-M873 WeakPolarHBondContact O-CG 3.48Å; S869-M873 PolarHBondContact O-N 2.96Å
870	K	79.5	Confident	81.9	Confident	168 Å²	168	65.4 Å²	65.4	73%	0.73	34%	0.339	S	S	*	.	H	α-helix	trans	-56.1	-46.2	176	-70.9	-174	178.2	-178	0	111.9	Q872 M873 D874	K870-Q872 VanDerWaalsContact C-N 3.29Å; K870-Q872 PolarHBondContact O-N 3.48Å; K870-M873 WeakPolarHBondContact O-CA 3.28Å; K870-M873 WeakPolarHBondContact O-CB 3.3Å; K870-M873 PolarHBondContact O-N 2.98Å; K870-D874 VanDerWaalsContact O-CG 3.31Å; K870-D874 PolarHBondContact O-N 3.24Å
871	Q	77.6	Confident	81.5	Confident	164 Å²	164	68.8 Å²	68.8	77%	0.766	35%	0.35	S	S	*	.	H	α-helix	trans	-57.5	-40.3	176.8	-68.3	169.5	-29.4	0	0	112.4	S869 A875	S869-Q871 VanDerWaalsContact C-N 3.32Å; S869-Q871 PolarHBondContact O-N 3.4Å; Q871-A875 WeakPolarHBondContact O-CB 3.45Å; Q871-A875 PolarHBondContact O-N 3.28Å; Q871-A875 VanDerWaalsContact O-N 3.09Å
872	Q	77	Confident	80.7	Confident	107 Å²	107	72.6 Å²	72.6	50%	0.5	37%	0.37	S	S	.	.	H	α-helix	trans	-67.7	-38.4	174.2	-72.4	169.4	-25.8	0	0	111.8	V868 S869 K870 A875 Y876	V868-Q872 HydrophobicContact CG1-CB 3.44Å; V868-Q872 VanDerWaalsContact CG1-CB 3.44Å; V868-Q872 HydrophobicContact CG1-CG 4.5Å; S869-Q872 WeakPolarHBondContact O-CB 3.23Å; S869-Q872 PolarHBondContact O-N 3.16Å; S869-Q872 VanDerWaalsContact O-N 3.13Å; S869-Q872 WeakPolarHBondContact OG-CG 3.32Å; S869-Q872 PolarHBondContact OG-N 3.09Å; K870-Q872 VanDerWaalsContact C-N 3.29Å; K870-Q872 PolarHBondContact O-N 3.48Å; Q872-A875 PolarHBondContact O-N 3.39Å; Q872-Y876 WeakPolarHBondContact O-CD2 3.42Å; Q872-Y876 PolarHBondContact O-N 3.39Å
873	M	79.2	Confident	79.9	Confident	10 Å²	10	83 Å²	83	5%	0.049	42%	0.416	C	S	.	.	H	α-helix	trans	-64.2	-45.5	174.6	-65.5	175.5	-175	0	0	112.1	W858 R859 A862 E863 V868 S869 K870 A875 Y876 E877	W858-M873 HydrophobicContact CH2-CB 3.86Å; W858-M873 HydrophobicContact CH2-CG 4.1Å; W858-M873 HydrophobicContact CZ2-CB 4.09Å; W858-M873 WeakPolarHBondContact CZ2-O 3.42Å; R859-M873 HydrophobicContact CB-CE 4.45Å; R859-M873 HydrophobicContact CB-SD 3.62Å; R859-M873 HydrophobicContact CG-CB 4.36Å; R859-M873 HydrophobicContact CG-CG 4.45Å; R859-M873 HydrophobicContact CG-SD 3.77Å; R859-M873 WeakPolarHBondContact O-CE 3.5Å; A862-M873 HydrophobicContact CB-CE 4.15Å; E863-M873 HydrophobicContact CB-CE 4.05Å; V868-M873 HydrophobicContact CB-CE 4.14Å; V868-M873 HydrophobicContact CB-CG 4.43Å; V868-M873 HydrophobicContact CG1-CG 3.93Å; V868-M873 WeakPolarHBondContact O-CE 3.23Å; S869-M873 WeakPolarHBondContact O-CG 3.48Å; S869-M873 PolarHBondContact O-N 2.96Å; K870-M873 WeakPolarHBondContact O-CA 3.28Å; K870-M873 WeakPolarHBondContact O-CB 3.3Å; K870-M873 PolarHBondContact O-N 2.98Å; M873-A875 PolarHBondContact O-N 3.11Å; M873-Y876 PolarHBondContact O-N 2.89Å; M873-Y876 VanDerWaalsContact O-N 3.14Å; M873-E877 PolarHBondContact O-N 3.46Å
874	D	79.7	Confident	78.8	Confident	54 Å²	54	83.5 Å²	83.5	29%	0.289	43%	0.426	S	S	.	.	H	α-helix	trans	-62.3	-29.9	178.4	-65.3	-47.4	0	0	0	111.6	R859 K870 E877 A878 R881	R859-D874 IonicContact CZ-OD1 2.69Å; R859-D874 IonicContact NH1-OD1 3.87Å; R859-D874 PolarHBondContact NH1-OD1 3.02Å; R859-D874 IonicContact NH1-OD2 2.61Å; R859-D874 IonicContact NH2-OD1 3.26Å; R859-D874 PolarHBondContact NH2-OD1 2.71Å; K870-D874 VanDerWaalsContact O-CG 3.31Å; K870-D874 PolarHBondContact O-N 3.24Å; D874-E877 PolarHBondContact O-N 2.95Å; D874-A878 WeakPolarHBondContact O-CB 3.35Å; D874-A878 PolarHBondContact O-N 2.71Å; D874-R881 IonicContact OD1-NH2 3.71Å
875	A	80.9	Confident	77.8	Confident	64 Å²	64	82 Å²	82	53%	0.529	43%	0.428	S	S	.	.	H	α-helix	trans	-71.8	-29.8	174.5	0	0	0	0	0	114.4	Q871 Q872 M873 P879	Q871-A875 WeakPolarHBondContact O-CB 3.45Å; Q871-A875 PolarHBondContact O-N 3.28Å; Q871-A875 VanDerWaalsContact O-N 3.09Å; Q872-A875 PolarHBondContact O-N 3.39Å; M873-A875 PolarHBondContact O-N 3.11Å; A875-P879 WeakPolarHBondContact O-CD 3.48Å
876	Y	80.5	Confident	77	Confident	58 Å²	58	84.7 Å²	84.7	23%	0.227	45%	0.446	C	S	.	.	H	α-helix	trans	-74.6	-27.5	169.5	-73.5	-77.4	0	0	0	112.3	W858 Q872 M873 H880 D898 F899 T902	W858-Y876 HydrophobicContact CH2-CD2 4.04Å; W858-Y876 HydrophobicContact CH2-CG 4.2Å; W858-Y876 HydrophobicContact CZ3-CD2 4.36Å; Q872-Y876 WeakPolarHBondContact O-CD2 3.42Å; Q872-Y876 PolarHBondContact O-N 3.39Å; M873-Y876 PolarHBondContact O-N 2.89Å; M873-Y876 VanDerWaalsContact O-N 3.14Å; Y876-H880 PolarHBondContact O-CD2 2.92Å; Y876-D898 HydrophobicContact CD1-CB 4.34Å; Y876-F899 HydrophobicContact CD1-CB 4.17Å; Y876-F899 HydrophobicContact CD2-CB 4.38Å; Y876-F899 HydrophobicContact CE1-CB 4.22Å; Y876-F899 HydrophobicContact CE2-CB 4.45Å; Y876-F899 AromaticContact CE2-CD2 3.99Å; Y876-F899 HydrophobicContact CE2-CD2 3.99Å; Y876-F899 HydrophobicContact CG-CB 4.26Å; Y876-T902 WeakPolarHBondContact OH-CG2 3.31Å
877	E	81.8	Confident	76.4	Confident	13 Å²	13	81.9 Å²	81.9	6%	0.061	43%	0.429	C	S	.	.	H	α-helix	trans	-81.7	-30.3	176.3	-84.6	175.9	-148.6	0	0	113.2	W858 R859 M873 D874 P879 H880 R881 V887 P895	W858-E877 HydrophobicContact CZ2-CG 3.93Å; W858-E877 WeakPolarHBondContact CZ2-OE1 3.4Å; W858-E877 PolarHBondContact NE1-OE1 2.84Å; R859-E877 IonicContact CZ-OE1 3.21Å; R859-E877 IonicContact CZ-OE2 3.47Å; R859-E877 IonicContact NE-OE1 2.83Å; R859-E877 PolarHBondContact NE-OE1 2.8Å; R859-E877 IonicContact NE-OE2 3.34Å; R859-E877 IonicContact NH2-OE1 2.7Å; R859-E877 PolarHBondContact NH2-OE1 3.44Å; R859-E877 IonicContact NH2-OE2 2.68Å; R859-E877 PolarHBondContact NH2-OE2 3.13Å; M873-E877 PolarHBondContact O-N 3.46Å; D874-E877 PolarHBondContact O-N 2.95Å; E877-P879 VanDerWaalsContact C-CD 3.45Å; E877-H880 PolarHBondContact O-N 2.92Å; E877-R881 PolarHBondContact O-N 3.33Å; E877-V887 HydrophobicContact CB-CG2 3.76Å; E877-V887 HydrophobicContact CG-CG2 3.98Å; E877-V887 WeakPolarHBondContact O-CG2 3.29Å; E877-P895 HydrophobicContact CG-CB 3.79Å; E877-P895 HydrophobicContact CG-CG 3.79Å
878	A	78.9	Confident	76.1	Confident	56 Å²	56	76.5 Å²	76.5	46%	0.463	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-51	-41	-177.1	0	0	0	0	0	115.6	D874 H880	D874-A878 WeakPolarHBondContact O-CB 3.35Å; D874-A878 PolarHBondContact O-N 2.71Å; A878-H880 PolarHBondContact O-N 2.86Å
879	P	78.8	Confident	75.5	Confident	87 Å²	87	78.5 Å²	78.5	57%	0.565	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-69.2	-13.3	177	-19.9	33.8	0	0	0	114.9	A875 E877	A875-P879 WeakPolarHBondContact O-CD 3.48Å; E877-P879 VanDerWaalsContact C-CD 3.45Å
880	H	76.1	Confident	75	Confident	46 Å²	46	80 Å²	80	21%	0.213	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-113.8	6	-175.4	-58.1	-77.3	0	0	0	112.9	Y876 E877 A878 V887 K894 P895 D898	Y876-H880 PolarHBondContact O-CD2 2.92Å; E877-H880 PolarHBondContact O-N 2.92Å; A878-H880 PolarHBondContact O-N 2.86Å; H880-V887 HydrophobicContact CB-CG1 4.11Å; H880-V887 HydrophobicContact CB-CG2 4.39Å; H880-K894 WeakPolarHBondContact CE1-CB 3.49Å; H880-K894 WeakPolarHBondContact ND1-CB 3.41Å; H880-K894 WeakPolarHBondContact ND1-CD 3.33Å; H880-P895 HydrophobicContact CB-CG 4.07Å; H880-D898 IonicContact CD2-OD2 3.3Å; H880-D898 IonicContact CE1-OD2 2.71Å; H880-D898 IonicContact NE2-OD2 3.97Å; H880-D898 PolarHBondContact NE2-OD2 3.47Å
881	R	79.2	Confident	74.9	Confident	105 Å²	105	72.5 Å²	72.5	40%	0.396	40%	0.395	S	S	.	.	B	Isolated β-bridge	trans	-72.6	142.3	173.4	-71.1	171.5	-173.6	-136.5	7.5	110.4	D874 E877 G885 V886 V887	D874-R881 IonicContact OD1-NH2 3.71Å; E877-R881 PolarHBondContact O-N 3.33Å; R881-G885 VanDerWaalsContact CD-O 3.23Å; R881-G885 WeakPolarHBondContact CD-O 3.14Å; R881-G885 WeakPolarHBondContact CG-O 3.49Å; R881-G885 PolarHBondContact NH1-O 3.11Å; R881-V886 CarbonylContact C-O 3.57Å; R881-V886 WeakPolarHBondContact CA-O 3.15Å; R881-V887 HydrophobicContact CB-CG2 4.45Å; R881-V887 HydrophobicContact CG-CG2 3.6Å
882	D	72	Confident	75	Confident	82 Å²	82	65.6 Å²	65.6	44%	0.439	36%	0.363	S	S	.	.			trans	-80.4	-173.2	173.9	73.6	6.9	0	0	0	112.1	T884 G885 V886	D882-T884 PolarHBondContact O-N 2.84Å; D882-T884 VanDerWaalsContact O-N 3.14Å; D882-T884 VanDerWaalsContact OD1-CA 3.3Å; D882-T884 WeakPolarHBondContact OD1-CA 3.39Å; D882-T884 WeakPolarHBondContact OD1-CB 3.35Å; D882-T884 PolarHBondContact OD1-N 3.02Å; D882-T884 PolarHBondContact OD1-OG1 3.38Å; D882-T884 PolarHBondContact OD2-OG1 2.71Å; D882-G885 PolarHBondContact O-N 3.26Å; D882-G885 PolarHBondContact OD1-N 3.38Å; D882-V886 VanDerWaalsContact CG-O 3.27Å; D882-V886 PolarHBondContact N-O 3.4Å; D882-V886 PolarHBondContact OD1-N 3.29Å
883	K	70.4	Confident	75.2	Confident	219 Å²	219	63.4 Å²	63.4	95%	0.952	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-12.7	178.5	-63.7	-177.7	-179.7	178.8	0	114.2
884	T	64.9	Low	75.4	Confident	108 Å²	108	66.8 Å²	66.8	66%	0.663	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-5.6	175	77.6	0	0	0	0	112.6	D882	D882-T884 PolarHBondContact O-N 2.84Å; D882-T884 VanDerWaalsContact O-N 3.14Å; D882-T884 VanDerWaalsContact OD1-CA 3.3Å; D882-T884 WeakPolarHBondContact OD1-CA 3.39Å; D882-T884 WeakPolarHBondContact OD1-CB 3.35Å; D882-T884 PolarHBondContact OD1-N 3.02Å; D882-T884 PolarHBondContact OD1-OG1 3.38Å; D882-T884 PolarHBondContact OD2-OG1 2.71Å
885	G	65	Low	75.6	Confident	33 Å²	33	64.2 Å²	64.2	34%	0.34	35%	0.351	S	S	.	.	S	Bend	trans	84.4	11.4	-178.4	0	0	0	0	0	114.3	R881 D882	R881-G885 VanDerWaalsContact CD-O 3.23Å; R881-G885 WeakPolarHBondContact CD-O 3.14Å; R881-G885 WeakPolarHBondContact CG-O 3.49Å; R881-G885 PolarHBondContact NH1-O 3.11Å; D882-G885 PolarHBondContact O-N 3.26Å; D882-G885 PolarHBondContact OD1-N 3.38Å
886	V	69	Low	75.7	Confident	87 Å²	87	61.2 Å²	61.2	53%	0.527	33%	0.326	S	S	.	.			trans	-110.1	143	179.4	-176.1	0	0	0	0	109.4	R881 D882	R881-V886 CarbonylContact C-O 3.57Å; R881-V886 WeakPolarHBondContact CA-O 3.15Å; D882-V886 VanDerWaalsContact CG-O 3.27Å; D882-V886 PolarHBondContact N-O 3.4Å; D882-V886 PolarHBondContact OD1-N 3.29Å
887	V	72.7	Confident	76	Confident	13 Å²	13	60.2 Å²	60.2	8%	0.079	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-83.9	125.8	169.7	-176.6	0	0	0	0	108.2	E877 H880 R881 S889 A891 M892 P895	E877-V887 HydrophobicContact CB-CG2 3.76Å; E877-V887 HydrophobicContact CG-CG2 3.98Å; E877-V887 WeakPolarHBondContact O-CG2 3.29Å; H880-V887 HydrophobicContact CB-CG1 4.11Å; H880-V887 HydrophobicContact CB-CG2 4.39Å; R881-V887 HydrophobicContact CB-CG2 4.45Å; R881-V887 HydrophobicContact CG-CG2 3.6Å; V887-S889 PolarHBondContact O-N 3.37Å; V887-A891 HydrophobicContact CG1-CB 4.39Å; V887-M892 HydrophobicContact CB-SD 3.69Å; V887-M892 HydrophobicContact CG1-CG 4.19Å; V887-M892 HydrophobicContact CG1-SD 3.51Å; V887-M892 VanDerWaalsContact CG1-SD 3.51Å; V887-P895 HydrophobicContact CG1-CG 4.35Å
888	D	74.8	Confident	76.1	Confident	69 Å²	69	62.4 Å²	62.4	37%	0.369	33%	0.334	S	S	.	.			trans	-55.5	132.2	173.7	163.5	35.3	0	0	0	110.8	E890 A891 M892	D888-E890 PolarHBondContact O-N 3.3Å; D888-E890 VanDerWaalsContact O-N 3.09Å; D888-E890 PolarHBondContact OD1-N 2.88Å; D888-A891 HydrophobicContact CB-CB 4.08Å; D888-A891 CarbonylContact O-C 3.5Å; D888-A891 WeakPolarHBondContact O-CA 3.4Å; D888-A891 WeakPolarHBondContact O-CB 3.37Å; D888-A891 PolarHBondContact O-N 3.22Å; D888-A891 PolarHBondContact OD2-N 3.15Å; D888-M892 WeakPolarHBondContact O-CG 3.46Å; D888-M892 PolarHBondContact O-N 3.04Å; D888-M892 VanDerWaalsContact O-N 3.11Å
889	S	68.3	Low	76.5	Confident	60 Å²	60	60.1 Å²	60.1	42%	0.42	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.2	-33.5	174.7	64.4	0	0	0	0	114.9	V887	V887-S889 PolarHBondContact O-N 3.37Å
890	E	68.6	Low	76.8	Confident	78 Å²	78	56 Å²	56	36%	0.364	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-18.3	179.2	-51.8	-170.5	170.8	0	0	112.6	N237 F239 D888 W893	N237-E890 PolarHBondContact ND2-OE1 2.82Å; N237-E890 PolarHBondContact OD1-OE1 3.1Å; F239-E890 VanDerWaalsContact CE2-CD 3.45Å; F239-E890 HydrophobicContact CE2-CG 4.36Å; F239-E890 WeakPolarHBondContact CE2-OE1 3.43Å; F239-E890 VanDerWaalsContact CE2-OE2 3.27Å; F239-E890 WeakPolarHBondContact CE2-OE2 3.25Å; D888-E890 PolarHBondContact O-N 3.3Å; D888-E890 VanDerWaalsContact O-N 3.09Å; D888-E890 PolarHBondContact OD1-N 2.88Å; E890-W893 PolarHBondContact O-NE1 3.38Å
891	A	78.3	Confident	77.3	Confident	10 Å²	10	57.5 Å²	57.5	8%	0.083	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-11.1	172.4	0	0	0	0	0	114.1	V887 D888 W893 K894 P895	V887-A891 HydrophobicContact CG1-CB 4.39Å; D888-A891 HydrophobicContact CB-CB 4.08Å; D888-A891 CarbonylContact O-C 3.5Å; D888-A891 WeakPolarHBondContact O-CA 3.4Å; D888-A891 WeakPolarHBondContact O-CB 3.37Å; D888-A891 PolarHBondContact O-N 3.22Å; D888-A891 PolarHBondContact OD2-N 3.15Å; A891-W893 PolarHBondContact O-N 3.29Å; A891-K894 HydrophobicContact CB-CD 4.37Å; A891-K894 WeakPolarHBondContact O-CG 3.19Å; A891-K894 PolarHBondContact O-N 3.45Å; A891-P895 WeakPolarHBondContact O-CD 3.43Å
892	M	79.2	Confident	77.5	Confident	19 Å²	19	55 Å²	55	9%	0.094	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-13.7	-176.5	-75.6	-66	-77.4	0	0	115.9	A855 Q856 V887 D888 K894	A855-M892 HydrophobicContact CB-CB 4.45Å; Q856-M892 HydrophobicContact CG-CB 4.37Å; Q856-M892 HydrophobicContact CG-CG 4.18Å; V887-M892 HydrophobicContact CB-SD 3.69Å; V887-M892 HydrophobicContact CG1-CG 4.19Å; V887-M892 HydrophobicContact CG1-SD 3.51Å; V887-M892 VanDerWaalsContact CG1-SD 3.51Å; D888-M892 WeakPolarHBondContact O-CG 3.46Å; D888-M892 PolarHBondContact O-N 3.04Å; D888-M892 VanDerWaalsContact O-N 3.11Å; M892-K894 VanDerWaalsContact C-N 3.32Å
893	W	81.5	Confident	78.2	Confident	61 Å²	61	51.4 Å²	51.4	23%	0.231	27%	0.273	C	S	.	.	H	α-helix	trans	-72.4	-21.4	171.1	67.2	-95.2	0	0	0	113.3	L248 L848 A851 V852 E890 A891 A896 Y897	L248-W893 HydrophobicContact CD1-CH2 3.63Å; L248-W893 HydrophobicContact CD1-CZ2 4.37Å; L248-W893 HydrophobicContact CD1-CZ3 4.11Å; L248-W893 HydrophobicContact CD2-CH2 4.33Å; L248-W893 HydrophobicContact CD2-CZ2 4.36Å; L848-W893 HydrophobicContact CD1-CE3 4.12Å; L848-W893 HydrophobicContact CD1-CZ3 4.02Å; A851-W893 WeakPolarHBondContact O-CB 3.38Å; V852-W893 HydrophobicContact CB-CB 4.46Å; V852-W893 HydrophobicContact CG2-CB 3.96Å; V852-W893 HydrophobicContact CG2-CD2 4.25Å; V852-W893 HydrophobicContact CG2-CE3 4.43Å; V852-W893 HydrophobicContact CG2-CG 4.05Å; E890-W893 PolarHBondContact O-NE1 3.38Å; A891-W893 PolarHBondContact O-N 3.29Å; W893-A896 PolarHBondContact O-N 2.96Å; W893-Y897 WeakPolarHBondContact O-CB 3.28Å; W893-Y897 PolarHBondContact O-N 2.72Å
894	K	83.1	Confident	78.9	Confident	81 Å²	81	41.3 Å²	41.3	35%	0.352	23%	0.23	S	C	.	.	H	α-helix	trans	-71.8	-51.6	-179.4	-49.7	165.3	-173.7	166.4	0	112	H880 A891 M892 A896 Y897 D898	H880-K894 WeakPolarHBondContact CE1-CB 3.49Å; H880-K894 WeakPolarHBondContact ND1-CB 3.41Å; H880-K894 WeakPolarHBondContact ND1-CD 3.33Å; A891-K894 HydrophobicContact CB-CD 4.37Å; A891-K894 WeakPolarHBondContact O-CG 3.19Å; A891-K894 PolarHBondContact O-N 3.45Å; M892-K894 VanDerWaalsContact C-N 3.32Å; K894-A896 PolarHBondContact O-N 3.15Å; K894-Y897 PolarHBondContact O-N 3.22Å; K894-Y897 VanDerWaalsContact O-N 3.08Å; K894-D898 PolarHBondContact O-N 2.96Å
895	P	83.4	Confident	79.6	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-54.5	-39.9	169.9	-22.7	31	0	0	0	112.6	W858 E877 H880 V887 A891 Y897 F899	W858-P895 HydrophobicContact CZ2-CB 4.23Å; E877-P895 HydrophobicContact CG-CB 3.79Å; E877-P895 HydrophobicContact CG-CG 3.79Å; H880-P895 HydrophobicContact CB-CG 4.07Å; V887-P895 HydrophobicContact CG1-CG 4.35Å; A891-P895 WeakPolarHBondContact O-CD 3.43Å; P895-Y897 PolarHBondContact O-N 3.24Å; P895-F899 WeakPolarHBondContact O-CB 3.45Å; P895-F899 PolarHBondContact O-N 2.87Å
896	A	84.2	Confident	80.1	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.3	-39.5	178	0	0	0	0	0	112.6	A851 W858 W893 K894 L900	A851-A896 HydrophobicContact CB-CB 4Å; W858-A896 HydrophobicContact CB-CB 3.4Å; W858-A896 VanDerWaalsContact CB-CB 3.4Å; W858-A896 HydrophobicContact CD2-CB 4.46Å; W858-A896 HydrophobicContact CG-CB 3.82Å; W893-A896 PolarHBondContact O-N 2.96Å; K894-A896 PolarHBondContact O-N 3.15Å; A896-L900 VanDerWaalsContact O-CB 3.28Å; A896-L900 WeakPolarHBondContact O-CB 3.44Å; A896-L900 WeakPolarHBondContact O-CG 3.36Å; A896-L900 PolarHBondContact O-N 2.84Å
897	Y	86.1	Confident	79.9	Confident	37 Å²	37	43.9 Å²	43.9	15%	0.145	23%	0.231	C	C	.	.	H	α-helix	trans	-73.2	-44.2	178.2	-173.5	-115.2	0	0	0	111.9	L847 L848 A851 W893 K894 P895 F899 L900 L901	L847-Y897 HydrophobicContact CB-CE2 4.12Å; L848-Y897 HydrophobicContact CB-CD2 4.09Å; L848-Y897 HydrophobicContact CB-CE2 3.73Å; L848-Y897 HydrophobicContact CD1-CD2 3.95Å; L848-Y897 HydrophobicContact CD1-CE2 4.12Å; L848-Y897 HydrophobicContact CD1-CG 4.22Å; A851-Y897 HydrophobicContact CB-CD2 4.15Å; A851-Y897 HydrophobicContact CB-CG 4.39Å; W893-Y897 WeakPolarHBondContact O-CB 3.28Å; W893-Y897 PolarHBondContact O-N 2.72Å; K894-Y897 PolarHBondContact O-N 3.22Å; K894-Y897 VanDerWaalsContact O-N 3.08Å; P895-Y897 PolarHBondContact O-N 3.24Å; Y897-F899 VanDerWaalsContact C-N 3.32Å; Y897-F899 PolarHBondContact O-N 3.11Å; Y897-L900 PolarHBondContact O-N 3.23Å; Y897-L900 VanDerWaalsContact O-N 3.17Å; Y897-L901 WeakPolarHBondContact O-CB 3.14Å; Y897-L901 PolarHBondContact O-N 2.72Å
898	D	83.9	Confident	79.1	Confident	60 Å²	60	45.2 Å²	45.2	32%	0.321	25%	0.247	S	C	.	.	H	α-helix	trans	-60.9	-42.1	177	-66	-24.8	0	0	0	111.3	Y876 H880 K894 T902	Y876-D898 HydrophobicContact CD1-CB 4.34Å; H880-D898 IonicContact CD2-OD2 3.3Å; H880-D898 IonicContact CE1-OD2 2.71Å; H880-D898 IonicContact NE2-OD2 3.97Å; H880-D898 PolarHBondContact NE2-OD2 3.47Å; K894-D898 PolarHBondContact O-N 2.96Å; D898-T902 WeakPolarHBondContact O-CB 3.39Å; D898-T902 PolarHBondContact O-N 3.17Å; D898-T902 VanDerWaalsContact O-N 3.13Å; D898-T902 PolarHBondContact O-OG1 2.89Å
899	F	87.9	Confident	78.4	Confident	7 Å²	7	50.1 Å²	50.1	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-61.8	-50.9	170.6	165.1	-104	0	0	0	112	W858 A862 L865 V868 Y876 P895 Y897 L901 T902 W903	W858-F899 HydrophobicContact CE3-CB 3.94Å; W858-F899 AromaticContact CE3-CD1 3.97Å; W858-F899 HydrophobicContact CE3-CD1 3.97Å; W858-F899 HydrophobicContact CE3-CG 4Å; W858-F899 HydrophobicContact CZ3-CB 3.59Å; W858-F899 HydrophobicContact CZ3-CD1 4.1Å; W858-F899 HydrophobicContact CZ3-CD2 4.27Å; W858-F899 AromaticContact CZ3-CG 3.68Å; W858-F899 HydrophobicContact CZ3-CG 3.68Å; A862-F899 HydrophobicContact CB-CD1 4.02Å; A862-F899 HydrophobicContact CB-CD2 4.3Å; A862-F899 HydrophobicContact CB-CE1 3.59Å; A862-F899 HydrophobicContact CB-CE2 3.9Å; A862-F899 HydrophobicContact CB-CG 4.37Å; A862-F899 HydrophobicContact CB-CZ 3.54Å; L865-F899 HydrophobicContact CD1-CE1 4.11Å; L865-F899 HydrophobicContact CD1-CZ 4.36Å; V868-F899 HydrophobicContact CG2-CE2 3.79Å; V868-F899 HydrophobicContact CG2-CZ 4.38Å; Y876-F899 HydrophobicContact CD1-CB 4.17Å; Y876-F899 HydrophobicContact CD2-CB 4.38Å; Y876-F899 HydrophobicContact CE1-CB 4.22Å; Y876-F899 HydrophobicContact CE2-CB 4.45Å; Y876-F899 AromaticContact CE2-CD2 3.99Å; Y876-F899 HydrophobicContact CE2-CD2 3.99Å; Y876-F899 HydrophobicContact CG-CB 4.26Å; P895-F899 WeakPolarHBondContact O-CB 3.45Å; P895-F899 PolarHBondContact O-N 2.87Å; Y897-F899 VanDerWaalsContact C-N 3.32Å; Y897-F899 PolarHBondContact O-N 3.11Å; F899-L901 VanDerWaalsContact C-N 3.33Å; F899-L901 PolarHBondContact O-N 2.81Å; F899-T902 PolarHBondContact O-N 3.31Å; F899-W903 HydrophobicContact CE1-CB 4.41Å; F899-W903 HydrophobicContact CE2-CB 4.07Å; F899-W903 HydrophobicContact CZ-CB 3.96Å; F899-W903 HydrophobicContact CZ-CG 4.13Å; F899-W903 WeakPolarHBondContact O-CB 3.4Å; F899-W903 PolarHBondContact O-N 2.69Å
900	L	85.1	Confident	78.7	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-64.7	-35	-176.4	-80.1	172.3	0	0	0	112.9	L847 T850 A851 L861 L865 A896 Y897 W903 S904 L918	L847-L900 HydrophobicContact CD2-CB 4.12Å; T850-L900 HydrophobicContact CG2-CD1 3.83Å; A851-L900 HydrophobicContact CB-CD1 4.17Å; L861-L900 HydrophobicContact CD2-CD2 4.16Å; L865-L900 HydrophobicContact CD1-CD2 4.1Å; A896-L900 VanDerWaalsContact O-CB 3.28Å; A896-L900 WeakPolarHBondContact O-CB 3.44Å; A896-L900 WeakPolarHBondContact O-CG 3.36Å; A896-L900 PolarHBondContact O-N 2.84Å; Y897-L900 PolarHBondContact O-N 3.23Å; Y897-L900 VanDerWaalsContact O-N 3.17Å; L900-W903 HydrophobicContact CD2-CE3 3.91Å; L900-W903 HydrophobicContact CD2-CZ3 4.4Å; L900-S904 WeakPolarHBondContact O-CB 3.3Å; L900-S904 PolarHBondContact O-N 3.19Å; L900-S904 PolarHBondContact O-OG 2.97Å; L900-L918 HydrophobicContact CD2-CD1 3.66Å
901	L	86	Confident	79.2	Confident	76 Å²	76	47.9 Å²	47.9	40%	0.398	26%	0.259	S	S	.	.	H	α-helix	trans	-64.5	-52.3	173.7	-173	67	0	0	0	110.4	Y897 F899 W903 S904 S905	Y897-L901 WeakPolarHBondContact O-CB 3.14Å; Y897-L901 PolarHBondContact O-N 2.72Å; F899-L901 VanDerWaalsContact C-N 3.33Å; F899-L901 PolarHBondContact O-N 2.81Å; L901-W903 VanDerWaalsContact C-N 3.29Å; L901-W903 PolarHBondContact O-N 3.09Å; L901-S904 PolarHBondContact O-N 2.61Å; L901-S904 VanDerWaalsContact O-N 3.14Å; L901-S904 PolarHBondContact O-OG 2.88Å; L901-S905 PolarHBondContact O-N 2.83Å
902	T	84	Confident	79.6	Confident	53 Å²	53	49 Å²	49	33%	0.325	26%	0.261	S	S	.	.	H	α-helix	trans	-60.3	-37.8	178.3	-53.3	0	0	0	0	112.2	Y876 D898 F899 S905 Q906	Y876-T902 WeakPolarHBondContact OH-CG2 3.31Å; D898-T902 WeakPolarHBondContact O-CB 3.39Å; D898-T902 PolarHBondContact O-N 3.17Å; D898-T902 VanDerWaalsContact O-N 3.13Å; D898-T902 PolarHBondContact O-OG1 2.89Å; F899-T902 PolarHBondContact O-N 3.31Å; T902-S905 PolarHBondContact O-OG 2.78Å; T902-Q906 WeakPolarHBondContact O-CG 3.5Å
903	W	86.9	Confident	79.9	Confident	6 Å²	6	51.9 Å²	51.9	2%	0.023	28%	0.277	C	S	.	.	H	α-helix	trans	-66.5	-44.9	174.2	168.6	70.6	0	0	0	112.3	L847 L865 V866 F899 L900 L901 S905 Q906 I907 V914 E917 L918	L847-W903 HydrophobicContact CD2-CE3 4.44Å; L847-W903 HydrophobicContact CD2-CZ3 4.27Å; L865-W903 HydrophobicContact CD1-CD2 3.94Å; L865-W903 HydrophobicContact CD1-CE3 4.35Å; L865-W903 HydrophobicContact CD1-CG 4.43Å; L865-W903 HydrophobicContact CD1-CH2 4.46Å; L865-W903 HydrophobicContact CD1-CZ2 4.01Å; L865-W903 HydrophobicContact CD2-CH2 4.3Å; L865-W903 HydrophobicContact CD2-CZ2 3.59Å; L865-W903 HydrophobicContact CG-CZ2 4.29Å; V866-W903 VanDerWaalsContact CG2-CD1 3.41Å; F899-W903 HydrophobicContact CE1-CB 4.41Å; F899-W903 HydrophobicContact CE2-CB 4.07Å; F899-W903 HydrophobicContact CZ-CB 3.96Å; F899-W903 HydrophobicContact CZ-CG 4.13Å; F899-W903 WeakPolarHBondContact O-CB 3.4Å; F899-W903 PolarHBondContact O-N 2.69Å; L900-W903 HydrophobicContact CD2-CE3 3.91Å; L900-W903 HydrophobicContact CD2-CZ3 4.4Å; L901-W903 VanDerWaalsContact C-N 3.29Å; L901-W903 PolarHBondContact O-N 3.09Å; W903-S905 VanDerWaalsContact C-N 3.28Å; W903-S905 PolarHBondContact O-N 2.81Å; W903-Q906 WeakPolarHBondContact O-CB 3.31Å; W903-Q906 PolarHBondContact O-N 2.74Å; W903-I907 HydrophobicContact CD2-CD1 4.38Å; W903-I907 VanDerWaalsContact CE2-CD1 3.44Å; W903-I907 HydrophobicContact CH2-CD1 3.83Å; W903-I907 HydrophobicContact CZ2-CD1 3.15Å; W903-V914 HydrophobicContact CH2-CG1 4.5Å; W903-V914 WeakPolarHBondContact CH2-O 3.32Å; W903-V914 HydrophobicContact CZ3-CG1 4.14Å; W903-E917 HydrophobicContact CZ2-CB 4.34Å; W903-L918 HydrophobicContact CE3-CD1 4.49Å; W903-L918 HydrophobicContact CH2-CB 3.6Å; W903-L918 HydrophobicContact CH2-CD1 4.03Å; W903-L918 HydrophobicContact CH2-CG 4.36Å; W903-L918 HydrophobicContact CZ3-CB 3.89Å; W903-L918 HydrophobicContact CZ3-CD1 3.79Å; W903-L918 HydrophobicContact CZ3-CD2 4.43Å; W903-L918 HydrophobicContact CZ3-CG 4.25Å
904	S	84.1	Confident	80.1	Confident	7 Å²	7	49 Å²	49	5%	0.049	27%	0.267	C	S	.	.	H	α-helix	trans	-61.6	-35.9	-177.6	72.1	0	0	0	0	112.7	L900 L901 Q906 I907	L900-S904 WeakPolarHBondContact O-CB 3.3Å; L900-S904 PolarHBondContact O-N 3.19Å; L900-S904 PolarHBondContact O-OG 2.97Å; L901-S904 PolarHBondContact O-N 2.61Å; L901-S904 VanDerWaalsContact O-N 3.14Å; L901-S904 PolarHBondContact O-OG 2.88Å; S904-Q906 PolarHBondContact O-N 3.04Å; S904-I907 PolarHBondContact O-N 3.38Å
905	S	78.9	Confident	80.4	Confident	91 Å²	91	45.3 Å²	45.3	64%	0.636	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-13.7	175.5	51.4	0	0	0	0	114.9	L901 T902 W903	L901-S905 PolarHBondContact O-N 2.83Å; T902-S905 PolarHBondContact O-OG 2.78Å; W903-S905 VanDerWaalsContact C-N 3.28Å; W903-S905 PolarHBondContact O-N 2.81Å
906	Q	75.6	Confident	80.6	Confident	130 Å²	130	46.1 Å²	46.1	61%	0.607	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-13.7	179.5	-68.2	171.5	11.6	0	0	113.3	T902 W903 S904	T902-Q906 WeakPolarHBondContact O-CG 3.5Å; W903-Q906 WeakPolarHBondContact O-CB 3.31Å; W903-Q906 PolarHBondContact O-N 2.74Å; S904-Q906 PolarHBondContact O-N 3.04Å
907	I	66.1	Low	80.8	Confident	62 Å²	62	48.6 Å²	48.6	32%	0.318	27%	0.266	S	S	.	.	S	Bend	trans	-87.6	-14.8	-179.6	-75	178.6	0	0	0	112.6	W903 S904 D913 V914 E917	W903-I907 HydrophobicContact CD2-CD1 4.38Å; W903-I907 VanDerWaalsContact CE2-CD1 3.44Å; W903-I907 HydrophobicContact CH2-CD1 3.83Å; W903-I907 HydrophobicContact CZ2-CD1 3.15Å; S904-I907 PolarHBondContact O-N 3.38Å; I907-D913 HydrophobicContact CG2-CB 4.25Å; I907-V914 HydrophobicContact CB-CG2 4.16Å; I907-V914 HydrophobicContact CG2-CG2 3.9Å; I907-E917 HydrophobicContact CD1-CB 4.23Å
908	G	55.9	Low	80.9	Confident	40 Å²	40	46.8 Å²	46.8	41%	0.412	26%	0.259	S	S	.	.			trans	100	178.8	179.7	0	0	0	0	0	113.3	S910	G908-S910 PolarHBondContact O-N 2.82Å
909	D	58.5	Low	81.1	Confident	172 Å²	172	44.1 Å²	44.1	92%	0.92	24%	0.244	S	C	*	.	S	Bend	trans	-70.4	-2.7	-168	-57.5	-43	0	0	0	114.9	Y911	D909-Y911 PolarHBondContact O-N 3.12Å
910	S	76.4	Confident	81	Confident	42 Å²	42	44.7 Å²	44.7	29%	0.294	25%	0.248	S	C	.	.			trans	-83.3	96.3	-179	-178.1	0	0	0	0	112.1	G908 R912 D913 V914	G908-S910 PolarHBondContact O-N 2.82Å; S910-R912 PolarHBondContact O-N 2.8Å; S910-R912 VanDerWaalsContact O-N 3.15Å; S910-D913 WeakPolarHBondContact CB-OD2 3.44Å; S910-D913 PolarHBondContact O-N 3.46Å; S910-D913 PolarHBondContact OG-N 2.66Å; S910-D913 PolarHBondContact OG-OD2 2.82Å; S910-V914 PolarHBondContact O-N 3.23Å
911	Y	78.9	Confident	81.1	Confident	49 Å²	49	44.6 Å²	44.6	19%	0.192	25%	0.248	C	C	.	.	H	α-helix	trans	-54.3	-27.8	171.3	66.2	-79.7	0	0	0	113.7	V839 D909 I915 V943	V839-Y911 HydrophobicContact CB-CD2 4.32Å; V839-Y911 HydrophobicContact CB-CE2 4.37Å; V839-Y911 HydrophobicContact CG1-CD1 3.65Å; V839-Y911 HydrophobicContact CG1-CD2 3.45Å; V839-Y911 VanDerWaalsContact CG1-CD2 3.45Å; V839-Y911 HydrophobicContact CG1-CE1 4.09Å; V839-Y911 HydrophobicContact CG1-CE2 3.89Å; V839-Y911 HydrophobicContact CG1-CG 3.31Å; V839-Y911 HydrophobicContact CG2-CD2 3.94Å; V839-Y911 HydrophobicContact CG2-CE1 4.39Å; V839-Y911 HydrophobicContact CG2-CE2 3.52Å; D909-Y911 PolarHBondContact O-N 3.12Å; Y911-I915 VanDerWaalsContact O-CG1 3.31Å; Y911-I915 WeakPolarHBondContact O-CG1 3Å; Y911-I915 PolarHBondContact O-N 2.81Å; Y911-V943 HydrophobicContact CD2-CB 4.37Å; Y911-V943 HydrophobicContact CD2-CG1 3.64Å; Y911-V943 HydrophobicContact CD2-CG2 3.93Å; Y911-V943 HydrophobicContact CE2-CB 4.26Å; Y911-V943 HydrophobicContact CE2-CG1 3.63Å; Y911-V943 HydrophobicContact CE2-CG2 4.05Å
912	R	85.1	Confident	81.1	Confident	33 Å²	33	41 Å²	41	13%	0.125	23%	0.229	C	C	.	.	H	α-helix	trans	-64.6	-49.4	173.2	-69.6	-172.5	-174.3	165.6	18.9	111	E690 S910 I915 Q916 V943 D947	E690-R912 IonicContact OE1-NH1 2.74Å; E690-R912 PolarHBondContact OE1-NH1 2.83Å; E690-R912 IonicContact OE2-CZ 2.63Å; E690-R912 IonicContact OE2-NH1 2.76Å; E690-R912 PolarHBondContact OE2-NH1 2.73Å; S910-R912 PolarHBondContact O-N 2.8Å; S910-R912 VanDerWaalsContact O-N 3.15Å; R912-I915 PolarHBondContact O-N 3.08Å; R912-Q916 WeakPolarHBondContact O-CB 3.26Å; R912-Q916 PolarHBondContact O-N 3.34Å; R912-V943 HydrophobicContact CB-CG1 4.39Å; R912-V943 HydrophobicContact CG-CG1 3.66Å; R912-D947 IonicContact CZ-OD2 3.74Å; R912-D947 IonicContact NH1-OD2 2.74Å; R912-D947 IonicContact NH2-OD1 3.86Å; R912-D947 PolarHBondContact NH2-OD1 3.07Å; R912-D947 IonicContact NH2-OD2 2.75Å; R912-D947 PolarHBondContact NH2-OD2 3.05Å
913	D	85.4	Confident	81.1	Confident	80 Å²	80	39.3 Å²	39.3	43%	0.428	22%	0.218	S	C	.	.	H	α-helix	trans	-70.8	-37.6	-177	-65.7	-63.3	0	0	0	112.2	I907 S910 I915 Q916 E917	I907-D913 HydrophobicContact CG2-CB 4.25Å; S910-D913 WeakPolarHBondContact CB-OD2 3.44Å; S910-D913 PolarHBondContact O-N 3.46Å; S910-D913 PolarHBondContact OG-N 2.66Å; S910-D913 PolarHBondContact OG-OD2 2.82Å; D913-I915 PolarHBondContact O-N 3.23Å; D913-Q916 PolarHBondContact O-N 3.11Å; D913-E917 PolarHBondContact O-N 3.27Å
914	V	86.9	Confident	81	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.012	23%	0.233	C	C	.	.	H	α-helix	trans	-55.8	-51.1	171.5	172.9	0	0	0	0	110.9	W903 I907 S910 L918	W903-V914 HydrophobicContact CH2-CG1 4.5Å; W903-V914 WeakPolarHBondContact CH2-O 3.32Å; W903-V914 HydrophobicContact CZ3-CG1 4.14Å; I907-V914 HydrophobicContact CB-CG2 4.16Å; I907-V914 HydrophobicContact CG2-CG2 3.9Å; S910-V914 PolarHBondContact O-N 3.23Å; V914-L918 VanDerWaalsContact O-CB 3.24Å; V914-L918 WeakPolarHBondContact O-CB 3.19Å; V914-L918 PolarHBondContact O-N 3.13Å
915	I	88.1	Confident	81	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-71.9	-33.6	-178.2	-60.4	169	0	0	0	110.9	I842 V846 Y911 R912 D913 H919 L936 L940 V943	I842-I915 HydrophobicContact CG2-CD1 4.47Å; V846-I915 HydrophobicContact CG1-CG1 4.48Å; Y911-I915 VanDerWaalsContact O-CG1 3.31Å; Y911-I915 WeakPolarHBondContact O-CG1 3Å; Y911-I915 PolarHBondContact O-N 2.81Å; R912-I915 PolarHBondContact O-N 3.08Å; D913-I915 PolarHBondContact O-N 3.23Å; I915-H919 WeakPolarHBondContact O-CB 3.44Å; I915-H919 PolarHBondContact O-N 2.76Å; I915-L936 HydrophobicContact CG2-CD1 4.31Å; I915-L940 HydrophobicContact CB-CD2 4.15Å; I915-L940 HydrophobicContact CG2-CD2 3.63Å; I915-L940 HydrophobicContact CG2-CG 3.94Å; I915-V943 HydrophobicContact CD1-CG1 4.46Å; I915-V943 HydrophobicContact CD1-CG2 3.92Å
916	Q	88	Confident	80.9	Confident	17 Å²	17	47 Å²	47	8%	0.079	24%	0.24	C	C	.	.	H	α-helix	trans	-69.7	-42.8	178.4	175.7	61.1	102.6	0	0	112.6	R693 R912 D913 T920 L940	R693-Q916 PolarHBondContact O-NE2 3.48Å; R693-Q916 PolarHBondContact O-OE1 3.32Å; R912-Q916 WeakPolarHBondContact O-CB 3.26Å; R912-Q916 PolarHBondContact O-N 3.34Å; D913-Q916 PolarHBondContact O-N 3.11Å; Q916-T920 PolarHBondContact NE2-OG1 2.88Å; Q916-T920 WeakPolarHBondContact O-CB 3.33Å; Q916-T920 PolarHBondContact O-N 2.88Å; Q916-T920 VanDerWaalsContact O-N 3.07Å; Q916-T920 PolarHBondContact O-OG1 3Å; Q916-L940 HydrophobicContact CB-CD2 4.2Å
917	E	88.2	Confident	80.8	Confident	52 Å²	52	46.6 Å²	46.6	24%	0.243	24%	0.241	C	C	.	.	H	α-helix	trans	-76.2	-28.6	174.3	-73.7	-57.9	144.2	0	0	112.3	R693 W903 I907 D913 T920 G921 K924	R693-E917 IonicContact CZ-OE1 3.5Å; R693-E917 IonicContact NH1-OE1 3.54Å; R693-E917 IonicContact NH2-OE1 3.98Å; R693-E917 PolarHBondContact NH2-OE1 3.47Å; W903-E917 HydrophobicContact CZ2-CB 4.34Å; I907-E917 HydrophobicContact CD1-CB 4.23Å; D913-E917 PolarHBondContact O-N 3.27Å; E917-T920 CarbonylContact O-C 3.55Å; E917-T920 PolarHBondContact O-N 3.13Å; E917-G921 PolarHBondContact O-N 3.39Å; E917-K924 IonicContact OE2-NZ 2.67Å
918	L	88.9	Confident	80.9	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.6	-47.9	171.7	-173.6	56.9	0	0	0	111.4	V846 L847 T850 L861 L865 L900 W903 V914 T920 G921 L922	V846-L918 HydrophobicContact CG1-CD2 3.64Å; L847-L918 HydrophobicContact CD2-CD2 4.11Å; T850-L918 HydrophobicContact CG2-CD1 4.15Å; T850-L918 HydrophobicContact CG2-CD2 4.46Å; L861-L918 HydrophobicContact CD2-CD1 4.41Å; L865-L918 HydrophobicContact CD1-CD1 4.18Å; L900-L918 HydrophobicContact CD2-CD1 3.66Å; W903-L918 HydrophobicContact CE3-CD1 4.49Å; W903-L918 HydrophobicContact CH2-CB 3.6Å; W903-L918 HydrophobicContact CH2-CD1 4.03Å; W903-L918 HydrophobicContact CH2-CG 4.36Å; W903-L918 HydrophobicContact CZ3-CB 3.89Å; W903-L918 HydrophobicContact CZ3-CD1 3.79Å; W903-L918 HydrophobicContact CZ3-CD2 4.43Å; W903-L918 HydrophobicContact CZ3-CG 4.25Å; V914-L918 VanDerWaalsContact O-CB 3.24Å; V914-L918 WeakPolarHBondContact O-CB 3.19Å; V914-L918 PolarHBondContact O-N 3.13Å; L918-T920 VanDerWaalsContact C-N 3.33Å; L918-T920 PolarHBondContact O-N 3.31Å; L918-G921 PolarHBondContact O-N 3.45Å; L918-G921 VanDerWaalsContact O-N 3.17Å; L918-L922 HydrophobicContact CG-CD1 4.25Å; L918-L922 WeakPolarHBondContact O-CG 3.23Å; L918-L922 PolarHBondContact O-N 2.97Å
919	H	88.1	Confident	81.6	Confident	4 Å²	4	43.7 Å²	43.7	2%	0.019	22%	0.218	C	C	.	.	H	α-helix	trans	-57.4	-48.6	173.9	-171.4	-57.9	0	0	0	110.6	L694 I915 G921 L922 D923 L936 T937 L940	L694-H919 VanDerWaalsContact CD2-CE1 3.48Å; L694-H919 WeakPolarHBondContact CD2-CE1 3.33Å; I915-H919 WeakPolarHBondContact O-CB 3.44Å; I915-H919 PolarHBondContact O-N 2.76Å; H919-G921 VanDerWaalsContact C-N 3.27Å; H919-G921 PolarHBondContact O-N 3.35Å; H919-L922 PolarHBondContact O-N 2.68Å; H919-D923 IonicContact CE1-OD1 2.66Å; H919-D923 IonicContact CE1-OD2 2.81Å; H919-D923 IonicContact ND1-OD2 2.76Å; H919-D923 WeakPolarHBondContact O-CB 3.31Å; H919-D923 PolarHBondContact O-N 2.76Å; H919-L936 HydrophobicContact CB-CD2 3.96Å; H919-L936 HydrophobicContact CB-CG 4.48Å; H919-T937 PolarHBondContact NE2-OG1 2.83Å; H919-L940 HydrophobicContact CB-CD1 3.92Å; H919-L940 VanDerWaalsContact CD2-CD1 3.49Å; H919-L940 WeakPolarHBondContact CD2-CD1 3.45Å
920	T	86.3	Confident	81.9	Confident	18 Å²	18	36.1 Å²	36.1	11%	0.11	18%	0.178	C	C	.	.	H	α-helix	trans	-61.2	-33.6	177.2	-52	0	0	0	0	112.3	Q916 E917 L918 K924	Q916-T920 PolarHBondContact NE2-OG1 2.88Å; Q916-T920 WeakPolarHBondContact O-CB 3.33Å; Q916-T920 PolarHBondContact O-N 2.88Å; Q916-T920 VanDerWaalsContact O-N 3.07Å; Q916-T920 PolarHBondContact O-OG1 3Å; E917-T920 CarbonylContact O-C 3.55Å; E917-T920 PolarHBondContact O-N 3.13Å; L918-T920 VanDerWaalsContact C-N 3.33Å; L918-T920 PolarHBondContact O-N 3.31Å; T920-K924 HydrophobicContact CG2-CD 4.47Å; T920-K924 VanDerWaalsContact O-CD 3.31Å; T920-K924 WeakPolarHBondContact O-CD 3.48Å; T920-K924 WeakPolarHBondContact O-CG 3.22Å; T920-K924 PolarHBondContact O-N 3.3Å; T920-K924 VanDerWaalsContact O-N 3.09Å
921	G	86.4	Confident	81.3	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.7	-49.3	172.5	0	0	0	0	0	113.2	E917 L918 H919 D923 K924 M925	E917-G921 PolarHBondContact O-N 3.39Å; L918-G921 PolarHBondContact O-N 3.45Å; L918-G921 VanDerWaalsContact O-N 3.17Å; H919-G921 VanDerWaalsContact C-N 3.27Å; H919-G921 PolarHBondContact O-N 3.35Å; G921-D923 VanDerWaalsContact C-N 3.29Å; G921-D923 PolarHBondContact O-N 3.25Å; G921-K924 WeakPolarHBondContact O-CA 3.37Å; G921-K924 WeakPolarHBondContact O-CB 3.39Å; G921-K924 PolarHBondContact O-N 3.27Å; G921-M925 PolarHBondContact O-N 2.63Å
922	L	86.4	Confident	80.5	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.9	-34.2	176.8	-66.9	161.2	0	0	0	111.8	T850 V854 L861 L918 H919 K924 M925 P928 I929 T930 W933 L936	T850-L922 HydrophobicContact CG2-CD1 3.93Å; T850-L922 HydrophobicContact CG2-CD2 3.96Å; T850-L922 HydrophobicContact CG2-CG 4.39Å; V854-L922 HydrophobicContact CG2-CD2 3.7Å; L861-L922 HydrophobicContact CD1-CD2 3.95Å; L861-L922 HydrophobicContact CD1-CG 4.06Å; L861-L922 HydrophobicContact CD2-CD2 3.89Å; L918-L922 HydrophobicContact CG-CD1 4.25Å; L918-L922 WeakPolarHBondContact O-CG 3.23Å; L918-L922 PolarHBondContact O-N 2.97Å; H919-L922 PolarHBondContact O-N 2.68Å; L922-K924 VanDerWaalsContact C-N 3.29Å; L922-K924 PolarHBondContact O-N 3.41Å; L922-M925 HydrophobicContact CD2-SD 3.9Å; L922-M925 PolarHBondContact O-N 2.72Å; L922-P928 WeakPolarHBondContact O-CA 3.29Å; L922-P928 WeakPolarHBondContact O-CB 3.49Å; L922-I929 HydrophobicContact CD2-CD1 4.38Å; L922-T930 HydrophobicContact CB-CG2 3.71Å; L922-W933 HydrophobicContact CD1-CZ3 4.16Å; L922-L936 HydrophobicContact CD1-CD2 3.45Å; L922-L936 VanDerWaalsContact CD1-CD2 3.45Å
923	D	84.4	Confident	79.7	Confident	19 Å²	19	48.8 Å²	48.8	10%	0.102	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-18.1	170.3	-96.1	1.9	0	0	0	113.6	K695 H919 G921 T930	K695-D923 WeakPolarHBondContact CA-OD2 3.5Å; K695-D923 HydrophobicContact CB-CB 3.61Å; K695-D923 WeakPolarHBondContact CB-OD2 3.28Å; K695-D923 HydrophobicContact CD-CB 4.05Å; K695-D923 VanDerWaalsContact CD-O 3.29Å; K695-D923 WeakPolarHBondContact CD-O 3.38Å; K695-D923 PolarHBondContact N-OD2 2.99Å; K695-D923 PolarHBondContact NZ-O 3.09Å; H919-D923 IonicContact CE1-OD1 2.66Å; H919-D923 IonicContact CE1-OD2 2.81Å; H919-D923 IonicContact ND1-OD2 2.76Å; H919-D923 WeakPolarHBondContact O-CB 3.31Å; H919-D923 PolarHBondContact O-N 2.76Å; G921-D923 VanDerWaalsContact C-N 3.29Å; G921-D923 PolarHBondContact O-N 3.25Å; D923-T930 VanDerWaalsContact OD1-CB 3.32Å; D923-T930 WeakPolarHBondContact OD1-CB 3.17Å; D923-T930 WeakPolarHBondContact OD1-CG2 3.27Å; D923-T930 PolarHBondContact OD1-OG1 3Å
924	K	84.3	Confident	79.3	Confident	76 Å²	76	47.2 Å²	47.2	33%	0.33	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-11.4	174.8	-74	156.3	-178.8	157.8	0	113.5	K864 E917 T920 G921 L922	K864-K924 HydrophobicContact CB-CB 3.75Å; K864-K924 HydrophobicContact CB-CD 4.41Å; K864-K924 HydrophobicContact CD-CB 4.48Å; K864-K924 HydrophobicContact CG-CB 3.94Å; E917-K924 IonicContact OE2-NZ 2.67Å; T920-K924 HydrophobicContact CG2-CD 4.47Å; T920-K924 VanDerWaalsContact O-CD 3.31Å; T920-K924 WeakPolarHBondContact O-CD 3.48Å; T920-K924 WeakPolarHBondContact O-CG 3.22Å; T920-K924 PolarHBondContact O-N 3.3Å; T920-K924 VanDerWaalsContact O-N 3.09Å; G921-K924 WeakPolarHBondContact O-CA 3.37Å; G921-K924 WeakPolarHBondContact O-CB 3.39Å; G921-K924 PolarHBondContact O-N 3.27Å; L922-K924 VanDerWaalsContact C-N 3.29Å; L922-K924 PolarHBondContact O-N 3.41Å
925	M	84.7	Confident	79	Confident	7 Å²	7	48.9 Å²	48.9	3%	0.034	22%	0.22	C	C	.	.	S	Bend	trans	-71.4	152.5	178.6	-57.5	179	90.2	0	0	112.5	V854 R857 E860 L861 G921 L922 N927 I929	V854-M925 HydrophobicContact CG1-CE 4.25Å; R857-M925 HydrophobicContact CB-CE 4Å; E860-M925 HydrophobicContact CB-CE 3.87Å; E860-M925 HydrophobicContact CG-CB 4.48Å; E860-M925 HydrophobicContact CG-CE 3.94Å; E860-M925 HydrophobicContact CG-CG 4.38Å; E860-M925 WeakPolarHBondContact OE2-CE 3.35Å; L861-M925 HydrophobicContact CB-CE 3.97Å; L861-M925 HydrophobicContact CB-SD 4.3Å; L861-M925 HydrophobicContact CD1-SD 4.27Å; G921-M925 PolarHBondContact O-N 2.63Å; L922-M925 HydrophobicContact CD2-SD 3.9Å; L922-M925 PolarHBondContact O-N 2.72Å; M925-N927 VanDerWaalsContact C-N 3.3Å; M925-N927 PolarHBondContact O-N 3.17Å; M925-I929 HydrophobicContact SD-CD1 4.14Å
926	K	75.9	Confident	78.7	Confident	183 Å²	183	48.8 Å²	48.8	80%	0.796	22%	0.22	S	C	*	.	S	Bend	trans	-55.2	-44.3	179.1	-66.9	173.6	180	177.8	0	112	E860	E860-K926 WeakPolarHBondContact OE1-CB 3.41Å; E860-K926 WeakPolarHBondContact OE1-CG 3.05Å; E860-K926 PolarHBondContact OE1-N 3.37Å
927	N	74.3	Confident	78.7	Confident	121 Å²	121	48.5 Å²	48.5	65%	0.647	22%	0.219	S	C	*	.	S	Bend	trans	-113.9	95.6	169.4	-80.6	-45	0	0	0	109	R857 M925 I929	R857-N927 PolarHBondContact NH1-O 3.35Å; R857-N927 PolarHBondContact NH2-O 2.92Å; M925-N927 VanDerWaalsContact C-N 3.3Å; M925-N927 PolarHBondContact O-N 3.17Å; N927-I929 PolarHBondContact O-N 3.07Å
928	P	68.2	Low	78.7	Confident	27 Å²	27	46.1 Å²	46.1	18%	0.175	21%	0.208	C	C	.	.			trans	-72.8	120.3	-173.1	27.9	-34.8	0	0	0	111.7	L922 T930 K931	L922-P928 WeakPolarHBondContact O-CA 3.29Å; L922-P928 WeakPolarHBondContact O-CB 3.49Å; P928-T930 VanDerWaalsContact C-N 3.28Å; P928-T930 PolarHBondContact O-N 3.42Å; P928-K931 HydrophobicContact CG-CD 3.95Å; P928-K931 HydrophobicContact CG-CG 4.22Å; P928-K931 PolarHBondContact O-N 3.36Å
929	I	69.5	Low	78.7	Confident	14 Å²	14	46.1 Å²	46.1	7%	0.072	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-69.6	-28.5	-174.5	-66.9	163.8	0	0	0	111.3	V854 L922 M925 N927 K931 R932 W933	V854-I929 HydrophobicContact CB-CD1 4.42Å; V854-I929 HydrophobicContact CG2-CD1 3.67Å; L922-I929 HydrophobicContact CD2-CD1 4.38Å; M925-I929 HydrophobicContact SD-CD1 4.14Å; N927-I929 PolarHBondContact O-N 3.07Å; I929-K931 PolarHBondContact O-N 3.04Å; I929-R932 WeakPolarHBondContact O-CA 3.3Å; I929-R932 PolarHBondContact O-N 3.14Å; I929-W933 HydrophobicContact CG2-CB 4.06Å; I929-W933 PolarHBondContact O-N 2.76Å
930	T	64.8	Low	78.7	Confident	12 Å²	12	45.9 Å²	45.9	7%	0.074	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-49.2	-30.9	174.4	55.5	0	0	0	0	114.4	L922 D923 P928 R932	L922-T930 HydrophobicContact CB-CG2 3.71Å; D923-T930 VanDerWaalsContact OD1-CB 3.32Å; D923-T930 WeakPolarHBondContact OD1-CB 3.17Å; D923-T930 WeakPolarHBondContact OD1-CG2 3.27Å; D923-T930 PolarHBondContact OD1-OG1 3Å; P928-T930 VanDerWaalsContact C-N 3.28Å; P928-T930 PolarHBondContact O-N 3.42Å; T930-R932 VanDerWaalsContact C-N 3.28Å; T930-R932 PolarHBondContact O-N 3.33Å
931	K	64.3	Low	78.9	Confident	151 Å²	151	45.2 Å²	45.2	66%	0.657	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-65.8	-29.6	175.4	-68.4	-176.9	-179.3	174.5	0	113.1	P928 I929	P928-K931 HydrophobicContact CG-CD 3.95Å; P928-K931 HydrophobicContact CG-CG 4.22Å; P928-K931 PolarHBondContact O-N 3.36Å; I929-K931 PolarHBondContact O-N 3.04Å
932	R	61.8	Low	79.1	Confident	227 Å²	227	45.2 Å²	45.2	86%	0.857	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-51.9	176.6	-62.4	-179.6	178.3	-177.9	-1.5	110.2	I929 T930 K934	I929-R932 WeakPolarHBondContact O-CA 3.3Å; I929-R932 PolarHBondContact O-N 3.14Å; T930-R932 VanDerWaalsContact C-N 3.28Å; T930-R932 PolarHBondContact O-N 3.33Å; R932-K934 PolarHBondContact O-N 3.39Å
933	W	69.8	Low	79.2	Confident	12 Å²	12	45.2 Å²	45.2	5%	0.045	20%	0.203	C	C	.	.			trans	-81.5	65.6	-178.4	-168.4	43	0	0	0	111.7	L752 T849 T850 L922 I929 H935 L936	L752-W933 HydrophobicContact CD2-CZ2 3.92Å; T849-W933 VanDerWaalsContact CB-CZ2 3.5Å; T849-W933 HydrophobicContact CG2-CH2 4.04Å; T849-W933 HydrophobicContact CG2-CZ2 3.29Å; T850-W933 VanDerWaalsContact OG1-CH2 3.31Å; T850-W933 WeakPolarHBondContact OG1-CH2 3.3Å; T850-W933 VanDerWaalsContact OG1-CZ3 3.3Å; T850-W933 WeakPolarHBondContact OG1-CZ3 3.41Å; L922-W933 HydrophobicContact CD1-CZ3 4.16Å; I929-W933 HydrophobicContact CG2-CB 4.06Å; I929-W933 PolarHBondContact O-N 2.76Å; W933-H935 PolarHBondContact O-N 2.92Å; W933-L936 HydrophobicContact CD2-CB 4.1Å; W933-L936 HydrophobicContact CE3-CB 3.85Å; W933-L936 HydrophobicContact CE3-CD2 4.15Å; W933-L936 HydrophobicContact CE3-CG 4.45Å; W933-L936 HydrophobicContact CH2-CB 4.27Å; W933-L936 HydrophobicContact CH2-CD1 3.89Å; W933-L936 HydrophobicContact CH2-CG 4.48Å; W933-L936 HydrophobicContact CZ2-CB 4.48Å; W933-L936 HydrophobicContact CZ3-CB 3.96Å; W933-L936 HydrophobicContact CZ3-CD1 3.96Å; W933-L936 HydrophobicContact CZ3-CD2 3.87Å; W933-L936 HydrophobicContact CZ3-CG 4.14Å; W933-L936 PolarHBondContact O-N 3.3Å
934	K	76.6	Confident	79.4	Confident	47 Å²	47	45.1 Å²	45.1	20%	0.204	20%	0.203	C	C	.	.	H	α-helix	trans	-54.3	-23.8	180	-70.8	173.6	172.7	175.4	0	112.9	N670 K671 N672 Y674 R932 L936 T937 G938	N670-K934 PolarHBondContact OD1-NZ 3.15Å; K671-K934 PolarHBondContact O-NZ 3.35Å; N672-K934 HydrophobicContact CB-CD 4.3Å; N672-K934 WeakPolarHBondContact OD1-CD 3.29Å; Y674-K934 HydrophobicContact CD2-CB 4.21Å; Y674-K934 WeakPolarHBondContact CD2-O 3.5Å; Y674-K934 HydrophobicContact CE2-CB 4.36Å; Y674-K934 WeakPolarHBondContact CE2-O 3.4Å; R932-K934 PolarHBondContact O-N 3.39Å; K934-L936 PolarHBondContact O-N 2.88Å; K934-T937 WeakPolarHBondContact O-CB 3.41Å; K934-T937 PolarHBondContact O-N 2.98Å; K934-G938 PolarHBondContact O-N 2.76Å
935	H	79.6	Confident	79.7	Confident	38 Å²	38	41.5 Å²	41.5	18%	0.176	19%	0.187	C	C	.	.	H	α-helix	trans	-70	-27	-175.1	-54.7	-65.5	0	0	0	114.5	Y674 P748 F751 W933 T937 G938 T939	Y674-H935 AromaticContact CE2-ND1 3.72Å; Y674-H935 AromaticContact CZ-ND1 3.9Å; Y674-H935 PolarHBondContact OH-ND1 2.91Å; Y674-H935 VanDerWaalsContact OH-ND1 3.13Å; P748-H935 HydrophobicContact CB-CB 4.16Å; P748-H935 WeakPolarHBondContact CB-O 3.39Å; F751-H935 HydrophobicContact CB-CB 4.17Å; F751-H935 AromaticContact CD1-CE1 3.99Å; F751-H935 AromaticContact CD1-NE2 3.71Å; F751-H935 AromaticContact CD2-CD2 3.99Å; F751-H935 AromaticContact CD2-CE1 3.26Å; F751-H935 WeakPolarHBondContact CD2-CE1 3.49Å; F751-H935 AromaticContact CD2-CG 3.73Å; F751-H935 AromaticContact CD2-ND1 3.27Å; F751-H935 VanDerWaalsContact CD2-ND1 3.27Å; F751-H935 WeakPolarHBondContact CD2-ND1 3.35Å; F751-H935 AromaticContact CD2-NE2 3.76Å; F751-H935 AromaticContact CE2-CE1 3.36Å; F751-H935 WeakPolarHBondContact CE2-CE1 3.45Å; F751-H935 AromaticContact CE2-ND1 3.73Å; F751-H935 AromaticContact CG-CD2 3.64Å; F751-H935 AromaticContact CG-CE1 3.59Å; F751-H935 AromaticContact CG-CG 3.77Å; F751-H935 AromaticContact CG-ND1 3.75Å; F751-H935 AromaticContact CG-NE2 3.57Å; F751-H935 AromaticContact CZ-CE1 3.77Å; W933-H935 PolarHBondContact O-N 2.92Å; H935-T937 VanDerWaalsContact C-N 3.31Å; H935-T937 PolarHBondContact O-N 3Å; H935-G938 CarbonylContact O-C 3.56Å; H935-G938 VanDerWaalsContact O-CA 3.26Å; H935-G938 WeakPolarHBondContact O-CA 3.2Å; H935-G938 PolarHBondContact O-N 3.47Å; H935-T939 PolarHBondContact O-N 2.94Å; H935-T939 PolarHBondContact O-OG1 3.18Å
936	L	83.3	Confident	79.9	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.5	-39.4	174	-174.9	68	0	0	0	111.8	V846 I915 H919 L922 W933 K934 G938 T939 L940	V846-L936 HydrophobicContact CG1-CD1 3.63Å; V846-L936 HydrophobicContact CG2-CD1 4.27Å; I915-L936 HydrophobicContact CG2-CD1 4.31Å; H919-L936 HydrophobicContact CB-CD2 3.96Å; H919-L936 HydrophobicContact CB-CG 4.48Å; L922-L936 HydrophobicContact CD1-CD2 3.45Å; L922-L936 VanDerWaalsContact CD1-CD2 3.45Å; W933-L936 HydrophobicContact CD2-CB 4.1Å; W933-L936 HydrophobicContact CE3-CB 3.85Å; W933-L936 HydrophobicContact CE3-CD2 4.15Å; W933-L936 HydrophobicContact CE3-CG 4.45Å; W933-L936 HydrophobicContact CH2-CB 4.27Å; W933-L936 HydrophobicContact CH2-CD1 3.89Å; W933-L936 HydrophobicContact CH2-CG 4.48Å; W933-L936 HydrophobicContact CZ2-CB 4.48Å; W933-L936 HydrophobicContact CZ3-CB 3.96Å; W933-L936 HydrophobicContact CZ3-CD1 3.96Å; W933-L936 HydrophobicContact CZ3-CD2 3.87Å; W933-L936 HydrophobicContact CZ3-CG 4.14Å; W933-L936 PolarHBondContact O-N 3.3Å; K934-L936 PolarHBondContact O-N 2.88Å; L936-G938 VanDerWaalsContact C-N 3.26Å; L936-G938 PolarHBondContact O-N 2.92Å; L936-T939 PolarHBondContact O-N 2.88Å; L936-T939 VanDerWaalsContact O-N 3.13Å; L936-L940 PolarHBondContact O-N 2.83Å
937	T	86.3	Confident	80.4	Confident	11 Å²	11	36.7 Å²	36.7	7%	0.067	17%	0.17	C	C	.	.	H	α-helix	trans	-64	-33.4	171.1	-50.2	0	0	0	0	111.4	L694 L714 H919 K934 H935 I941	L694-T937 HydrophobicContact CD1-CG2 4.26Å; L694-T937 HydrophobicContact CD2-CG2 4.48Å; L714-T937 HydrophobicContact CD1-CG2 3.57Å; H919-T937 PolarHBondContact NE2-OG1 2.83Å; K934-T937 WeakPolarHBondContact O-CB 3.41Å; K934-T937 PolarHBondContact O-N 2.98Å; H935-T937 VanDerWaalsContact C-N 3.31Å; H935-T937 PolarHBondContact O-N 3Å; T937-I941 WeakPolarHBondContact O-CG1 3.45Å; T937-I941 PolarHBondContact O-N 2.61Å
938	G	88.3	Confident	80.9	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-63.8	-40.7	169.5	0	0	0	0	0	113	Y674 K934 H935 L936 I941 L942	Y674-G938 VanDerWaalsContact CD1-CA 3.46Å; Y674-G938 VanDerWaalsContact CE1-CA 3.4Å; K934-G938 PolarHBondContact O-N 2.76Å; H935-G938 CarbonylContact O-C 3.56Å; H935-G938 VanDerWaalsContact O-CA 3.26Å; H935-G938 WeakPolarHBondContact O-CA 3.2Å; H935-G938 PolarHBondContact O-N 3.47Å; L936-G938 VanDerWaalsContact C-N 3.26Å; L936-G938 PolarHBondContact O-N 2.92Å; G938-I941 WeakPolarHBondContact O-CB 3.43Å; G938-I941 PolarHBondContact O-N 3.28Å; G938-L942 PolarHBondContact O-N 2.9Å
939	T	89.4	Confident	81.9	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-68.8	-35	177.8	-48.9	0	0	0	0	112.1	I842 V846 H935 L936 L942 V943	I842-T939 HydrophobicContact CG2-CG2 3.31Å; V846-T939 HydrophobicContact CG2-CG2 3.66Å; H935-T939 PolarHBondContact O-N 2.94Å; H935-T939 PolarHBondContact O-OG1 3.18Å; L936-T939 PolarHBondContact O-N 2.88Å; L936-T939 VanDerWaalsContact O-N 3.13Å; T939-L942 WeakPolarHBondContact O-CB 3.3Å; T939-L942 PolarHBondContact O-N 2.82Å; T939-V943 WeakPolarHBondContact O-CB 3.4Å; T939-V943 PolarHBondContact O-N 3.15Å
940	L	88.5	Confident	82.7	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-58.8	-45.8	168.4	-79.2	173.3	0	0	0	111.8	I692 L694 I915 Q916 H919 L936 L942 V943 N944	I692-L940 HydrophobicContact CD1-CB 4.15Å; I692-L940 HydrophobicContact CG2-CD1 4.15Å; L694-L940 HydrophobicContact CD2-CD1 4.34Å; I915-L940 HydrophobicContact CB-CD2 4.15Å; I915-L940 HydrophobicContact CG2-CD2 3.63Å; I915-L940 HydrophobicContact CG2-CG 3.94Å; Q916-L940 HydrophobicContact CB-CD2 4.2Å; H919-L940 HydrophobicContact CB-CD1 3.92Å; H919-L940 VanDerWaalsContact CD2-CD1 3.49Å; H919-L940 WeakPolarHBondContact CD2-CD1 3.45Å; L936-L940 PolarHBondContact O-N 2.83Å; L940-L942 VanDerWaalsContact C-N 3.34Å; L940-L942 PolarHBondContact O-N 2.86Å; L940-V943 PolarHBondContact O-N 3.2Å; L940-N944 WeakPolarHBondContact O-CB 3.47Å; L940-N944 PolarHBondContact O-N 3.03Å; L940-N944 VanDerWaalsContact O-N 3.16Å; L940-N944 PolarHBondContact O-ND2 2.83Å
941	I	90.3	Very high	83.7	Confident	4 Å²	4	36.7 Å²	36.7	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-58	-47.7	175	-69.7	161	0	0	0	110.6	Y674 I705 I712 L714 T937 G938 S945	Y674-I941 HydrophobicContact CD1-CD1 3.91Å; Y674-I941 HydrophobicContact CG-CD1 4.25Å; I705-I941 HydrophobicContact CG2-CG2 3.99Å; I712-I941 HydrophobicContact CG2-CG2 3.67Å; L714-I941 HydrophobicContact CD2-CD1 4.47Å; L714-I941 HydrophobicContact CD2-CG1 3.98Å; L714-I941 HydrophobicContact CG-CD1 4.11Å; L714-I941 HydrophobicContact CG-CG1 4.13Å; T937-I941 WeakPolarHBondContact O-CG1 3.45Å; T937-I941 PolarHBondContact O-N 2.61Å; G938-I941 WeakPolarHBondContact O-CB 3.43Å; G938-I941 PolarHBondContact O-N 3.28Å; I941-S945 VanDerWaalsContact O-CB 3.3Å; I941-S945 WeakPolarHBondContact O-CB 3.29Å; I941-S945 PolarHBondContact O-N 2.82Å; I941-S945 VanDerWaalsContact O-N 3.13Å; I941-S945 PolarHBondContact O-OG 2.82Å
942	L	90.8	Very high	84.7	Confident	0 Å²	0	30 Å²	30	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-55.5	-58.1	178.6	-172.5	177	0	0	0	111	I745 L746 P748 C749 I842 G938 T939 L940 N944 S945 L946	I745-L942 HydrophobicContact CB-CB 4.33Å; I745-L942 HydrophobicContact CB-CG 4.28Å; I745-L942 HydrophobicContact CG1-CG 4.39Å; I745-L942 WeakPolarHBondContact O-CB 3.2Å; I745-L942 WeakPolarHBondContact O-CD1 3.27Å; I745-L942 WeakPolarHBondContact O-CG 3.37Å; L746-L942 HydrophobicContact CD2-CD1 4Å; P748-L942 HydrophobicContact CG-CD1 4.09Å; C749-L942 VanDerWaalsContact SG-CD1 3.53Å; I842-L942 HydrophobicContact CD1-CD1 3.65Å; I842-L942 HydrophobicContact CD1-CD2 3.51Å; I842-L942 HydrophobicContact CD1-CG 4.28Å; G938-L942 PolarHBondContact O-N 2.9Å; T939-L942 WeakPolarHBondContact O-CB 3.3Å; T939-L942 PolarHBondContact O-N 2.82Å; L940-L942 VanDerWaalsContact C-N 3.34Å; L940-L942 PolarHBondContact O-N 2.86Å; L942-N944 VanDerWaalsContact C-N 3.26Å; L942-N944 PolarHBondContact O-N 3.16Å; L942-S945 PolarHBondContact O-N 3.27Å; L942-L946 HydrophobicContact CD2-CD1 4.16Å; L942-L946 HydrophobicContact CD2-CD2 3.64Å; L942-L946 HydrophobicContact CD2-CG 3.94Å; L942-L946 WeakPolarHBondContact O-CG 3.46Å; L942-L946 PolarHBondContact O-N 2.86Å
943	V	89.2	Confident	85.9	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.6	-29.4	-173.4	141.5	0	0	0	0	113.5	I842 Y911 R912 I915 T939 L940	I842-V943 HydrophobicContact CG2-CG2 4.13Å; Y911-V943 HydrophobicContact CD2-CB 4.37Å; Y911-V943 HydrophobicContact CD2-CG1 3.64Å; Y911-V943 HydrophobicContact CD2-CG2 3.93Å; Y911-V943 HydrophobicContact CE2-CB 4.26Å; Y911-V943 HydrophobicContact CE2-CG1 3.63Å; Y911-V943 HydrophobicContact CE2-CG2 4.05Å; R912-V943 HydrophobicContact CB-CG1 4.39Å; R912-V943 HydrophobicContact CG-CG1 3.66Å; I915-V943 HydrophobicContact CD1-CG1 4.46Å; I915-V943 HydrophobicContact CD1-CG2 3.92Å; T939-V943 WeakPolarHBondContact O-CB 3.4Å; T939-V943 PolarHBondContact O-N 3.15Å; L940-V943 PolarHBondContact O-N 3.2Å
944	N	88.7	Confident	86.6	Confident	17 Å²	17	20.7 Å²	20.7	9%	0.091	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-1.1	175.1	-70.1	-89.7	0	0	0	113.4	E690 I692 I705 L940 L942	E690-N944 PolarHBondContact OE2-OD1 2.98Å; I692-N944 HydrophobicContact CD1-CB 4.44Å; I705-N944 HydrophobicContact CD1-CB 3.48Å; I705-N944 VanDerWaalsContact CD1-CB 3.48Å; L940-N944 WeakPolarHBondContact O-CB 3.47Å; L940-N944 PolarHBondContact O-N 3.03Å; L940-N944 VanDerWaalsContact O-N 3.16Å; L940-N944 PolarHBondContact O-ND2 2.83Å; L942-N944 VanDerWaalsContact C-N 3.26Å; L942-N944 PolarHBondContact O-N 3.16Å
945	S	89.3	Confident	86.6	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-7.6	176.5	-56.1	0	0	0	0	113.7	I941 L942 D947 M948 L949	I941-S945 VanDerWaalsContact O-CB 3.3Å; I941-S945 WeakPolarHBondContact O-CB 3.29Å; I941-S945 PolarHBondContact O-N 2.82Å; I941-S945 VanDerWaalsContact O-N 3.13Å; I941-S945 PolarHBondContact O-OG 2.82Å; L942-S945 PolarHBondContact O-N 3.27Å; S945-D947 PolarHBondContact O-N 2.91Å; S945-M948 PolarHBondContact O-N 3.21Å; S945-L949 PolarHBondContact O-N 2.86Å
946	L	88.6	Confident	85.9	Confident	2 Å²	2	24.1 Å²	24.1	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-61.7	-43.1	-176.1	-70	-174.3	0	0	0	112.9	I745 L830 V839 L942 M948 L949 R950	I745-L946 HydrophobicContact CD1-CD2 4.18Å; L830-L946 HydrophobicContact CD1-CD2 4.19Å; L830-L946 HydrophobicContact CD2-CD2 3.81Å; V839-L946 HydrophobicContact CG2-CD1 3.56Å; L942-L946 HydrophobicContact CD2-CD1 4.16Å; L942-L946 HydrophobicContact CD2-CD2 3.64Å; L942-L946 HydrophobicContact CD2-CG 3.94Å; L942-L946 WeakPolarHBondContact O-CG 3.46Å; L942-L946 PolarHBondContact O-N 2.86Å; L946-M948 VanDerWaalsContact C-N 3.32Å; L946-M948 PolarHBondContact O-N 2.76Å; L946-L949 PolarHBondContact O-N 3.47Å; L946-R950 WeakPolarHBondContact O-CB 3.5Å; L946-R950 PolarHBondContact O-N 2.88Å
947	D	86.5	Confident	84.4	Confident	86 Å²	86	31.1 Å²	31.1	46%	0.46	17%	0.172	S	C	.	.	H	α-helix	trans	-63.4	-40.1	-180	-58.6	8.6	0	0	0	111.6	R912 S945 R950 A951	R912-D947 IonicContact CZ-OD2 3.74Å; R912-D947 IonicContact NH1-OD2 2.74Å; R912-D947 IonicContact NH2-OD1 3.86Å; R912-D947 PolarHBondContact NH2-OD1 3.07Å; R912-D947 IonicContact NH2-OD2 2.75Å; R912-D947 PolarHBondContact NH2-OD2 3.05Å; S945-D947 PolarHBondContact O-N 2.91Å; D947-R950 PolarHBondContact O-N 2.84Å; D947-A951 WeakPolarHBondContact O-CB 3.46Å; D947-A951 PolarHBondContact O-N 3.26Å
948	M	86.1	Confident	82.4	Confident	37 Å²	37	38.7 Å²	38.7	18%	0.182	21%	0.207	C	C	.	.	H	α-helix	trans	-67.1	-41.4	177.2	-174.1	54.8	67.5	0	0	111.3	V654 S656 L687 S945 L946 A952	V654-M948 HydrophobicContact CG1-CG 4.06Å; V654-M948 HydrophobicContact CG1-SD 3.86Å; S656-M948 PolarHBondContact OG-SD 3.41Å; L687-M948 HydrophobicContact CD2-CG 3.97Å; L687-M948 WeakPolarHBondContact O-CE 3.21Å; S945-M948 PolarHBondContact O-N 3.21Å; L946-M948 VanDerWaalsContact C-N 3.32Å; L946-M948 PolarHBondContact O-N 2.76Å; M948-A952 WeakPolarHBondContact O-CB 3.42Å; M948-A952 PolarHBondContact O-N 2.86Å
949	L	87.8	Confident	79.9	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.1	-44.5	171.9	178.1	67.2	0	0	0	111.3	F649 T738 L741 L742 I745 L830 S945 L946 A952 A953	F649-L949 HydrophobicContact CE2-CD1 4.1Å; T738-L949 HydrophobicContact CG2-CD1 4.49Å; L741-L949 HydrophobicContact CB-CD1 4.4Å; L741-L949 HydrophobicContact CD2-CB 3.89Å; L741-L949 HydrophobicContact CD2-CD1 3.89Å; L741-L949 HydrophobicContact CG-CB 4.39Å; L741-L949 HydrophobicContact CG-CD1 4.04Å; L742-L949 HydrophobicContact CB-CD1 4.27Å; L742-L949 HydrophobicContact CD1-CD2 3.93Å; I745-L949 HydrophobicContact CD1-CD2 3.95Å; L830-L949 HydrophobicContact CB-CD2 4.47Å; L830-L949 HydrophobicContact CD1-CD2 4.04Å; S945-L949 PolarHBondContact O-N 2.86Å; L946-L949 PolarHBondContact O-N 3.47Å; L949-A952 PolarHBondContact O-N 3.17Å; L949-A953 VanDerWaalsContact O-CB 3.23Å; L949-A953 WeakPolarHBondContact O-CB 3.27Å; L949-A953 PolarHBondContact O-N 3.16Å
950	R	87.4	Confident	77.3	Confident	82 Å²	82	53.8 Å²	53.8	31%	0.309	28%	0.277	S	S	.	.	H	α-helix	trans	-61.9	-48.5	179.6	-170.2	179.6	-158.7	-150.1	-4.4	111.6	K634 D833 Q835 L946 D947 A952 F954	K634-R950 PolarHBondContact O-NH1 2.82Å; K634-R950 PolarHBondContact O-NH2 2.94Å; D833-R950 VanDerWaalsContact CG-NE 3.34Å; D833-R950 WeakPolarHBondContact OD1-CD 3.46Å; D833-R950 WeakPolarHBondContact OD1-CG 3.4Å; D833-R950 IonicContact OD1-CZ 3.3Å; D833-R950 IonicContact OD1-NE 3.06Å; D833-R950 PolarHBondContact OD1-NE 3.23Å; D833-R950 IonicContact OD1-NH2 2.7Å; D833-R950 IonicContact OD2-CZ 3.97Å; D833-R950 VanDerWaalsContact OD2-CZ 3.3Å; D833-R950 IonicContact OD2-NE 2.62Å; D833-R950 PolarHBondContact OD2-NE 2.81Å; D833-R950 IonicContact OD2-NH2 2.68Å; D833-R950 PolarHBondContact OD2-NH2 3.3Å; Q835-R950 HydrophobicContact CG-CG 4.35Å; L946-R950 WeakPolarHBondContact O-CB 3.5Å; L946-R950 PolarHBondContact O-N 2.88Å; D947-R950 PolarHBondContact O-N 2.84Å; R950-A952 VanDerWaalsContact C-N 3.35Å; R950-A952 PolarHBondContact O-N 2.91Å; R950-F954 HydrophobicContact CG-CD2 4.29Å; R950-F954 PolarHBondContact O-N 2.85Å
951	A	85.4	Confident	74.6	Confident	56 Å²	56	61.5 Å²	61.5	46%	0.463	32%	0.318	S	S	.	.	H	α-helix	trans	-62.3	-39.8	179.1	0	0	0	0	0	112.4	D947 S955	D947-A951 WeakPolarHBondContact O-CB 3.46Å; D947-A951 PolarHBondContact O-N 3.26Å; A951-S955 WeakPolarHBondContact O-CB 3.31Å; A951-S955 PolarHBondContact O-OG 3.48Å
952	A	85.8	Confident	71.9	Confident	10 Å²	10	69.3 Å²	69.3	8%	0.083	35%	0.352	C	S	.	.	H	α-helix	trans	-78	-38.4	-179.3	0	0	0	0	0	113.8	V654 T738 M948 L949 R950	V654-A952 HydrophobicContact CB-CB 4.44Å; V654-A952 HydrophobicContact CG1-CB 4.22Å; V654-A952 HydrophobicContact CG2-CB 3.99Å; T738-A952 HydrophobicContact CG2-CB 3.47Å; T738-A952 VanDerWaalsContact CG2-CB 3.47Å; M948-A952 WeakPolarHBondContact O-CB 3.42Å; M948-A952 PolarHBondContact O-N 2.86Å; L949-A952 PolarHBondContact O-N 3.17Å; R950-A952 VanDerWaalsContact C-N 3.35Å; R950-A952 PolarHBondContact O-N 2.91Å
953	A	85.8	Confident	69.3	Low	0 Å²	0	74.1 Å²	74.1	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-87	-21.2	-172.5	0	0	0	0	0	115	F649 Q650 T738 L949	F649-A953 HydrophobicContact CD2-CB 3.67Å; F649-A953 HydrophobicContact CE2-CB 3.58Å; F649-A953 HydrophobicContact CG-CB 4.44Å; F649-A953 HydrophobicContact CZ-CB 4.29Å; Q650-A953 PolarHBondContact N-O 2.9Å; T738-A953 HydrophobicContact CG2-CB 3.98Å; L949-A953 VanDerWaalsContact O-CB 3.23Å; L949-A953 WeakPolarHBondContact O-CB 3.27Å; L949-A953 PolarHBondContact O-N 3.16Å
954	F	85.1	Confident	66.7	Low	43 Å²	43	85.4 Å²	85.4	19%	0.189	45%	0.45	C	S	.	.	H	α-helix	trans	-126.8	6.7	-173.5	-58.4	-67.9	0	0	0	114.7	P647 F649 L830 K831 D833 R950	P647-F954 HydrophobicContact CB-CD1 3.82Å; P647-F954 HydrophobicContact CB-CE1 4.15Å; P647-F954 HydrophobicContact CG-CD1 4.07Å; P647-F954 HydrophobicContact CG-CE1 4.11Å; F649-F954 HydrophobicContact CB-CE1 4.12Å; F649-F954 HydrophobicContact CB-CZ 4.21Å; F649-F954 HydrophobicContact CD2-CZ 4.14Å; L830-F954 WeakPolarHBondContact O-CE2 3.38Å; L830-F954 VanDerWaalsContact O-CZ 3.28Å; L830-F954 WeakPolarHBondContact O-CZ 3.27Å; K831-F954 WeakPolarHBondContact O-CZ 3.3Å; D833-F954 HydrophobicContact CB-CD2 4.03Å; D833-F954 HydrophobicContact CB-CE1 4.27Å; D833-F954 HydrophobicContact CB-CE2 3.74Å; D833-F954 HydrophobicContact CB-CG 4.43Å; D833-F954 HydrophobicContact CB-CZ 3.87Å; R950-F954 HydrophobicContact CG-CD2 4.29Å; R950-F954 PolarHBondContact O-N 2.85Å
955	S	76.3	Confident	65.6	Low	45 Å²	45	88.8 Å²	88.8	32%	0.315	47%	0.468	S	S	.	.			trans	-61.6	139.3	171.6	32.7	0	0	0	0	110.9	R652 A951	R652-S955 PolarHBondContact NH1-O 3.46Å; R652-S955 PolarHBondContact NH1-OG 2.84Å; A951-S955 WeakPolarHBondContact O-CB 3.31Å; A951-S955 PolarHBondContact O-OG 3.48Å
956	P	66.2	Low	64.3	Low	113 Å²	113	93.5 Å²	93.5	73%	0.734	49%	0.492	S	S	*	.			trans	-55.9	147.9	163.3	28.3	-34.2	0	0	0	108.4	E958	P956-E958 PolarHBondContact O-N 3.17Å
957	Q	51.2	Low	63	Low	146 Å²	146	98.6 Å²	98.6	68%	0.682	52%	0.519	S	S	*	.			trans	-67.1	106.4	176.5	-176	172.1	-3	0	0	108	H959	Q957-H959 PolarHBondContact O-N 2.81Å; Q957-H959 VanDerWaalsContact O-N 3.08Å; Q957-H959 PolarHBondContact O-ND1 3.06Å
958	E	43	Very low	61.6	Low	171 Å²	171	99.3 Å²	99.3	80%	0.799	52%	0.523	S	S	*	.			trans	-50.4	119.3	164	-69.3	-179.7	164.1	0	0	106.3	P956 E960	P956-E958 PolarHBondContact O-N 3.17Å; E958-E960 PolarHBondContact O-N 2.83Å
959	H	35.7	Very low	60.1	Low	165 Å²	165	103.2 Å²	103.2	76%	0.764	54%	0.544	S	S	*	.			trans	-65.9	122.2	165	-73.8	17.9	0	0	0	104.9	Q957 D961	Q957-H959 PolarHBondContact O-N 2.81Å; Q957-H959 VanDerWaalsContact O-N 3.08Å; Q957-H959 PolarHBondContact O-ND1 3.06Å; H959-D961 PolarHBondContact O-N 2.87Å
960	E	34.8	Very low	58.2	Low	152 Å²	152	110.1 Å²	110.1	71%	0.71	58%	0.58	S	S	*	*			trans	-59.2	114.4	169	-67.3	-177.1	138	0	0	106.5	E958 F962	E958-E960 PolarHBondContact O-N 2.83Å; E960-F962 HydrophobicContact CB-CD2 4.13Å; E960-F962 HydrophobicContact CB-CE2 3.94Å; E960-F962 WeakPolarHBondContact O-CD2 3.22Å; E960-F962 PolarHBondContact O-N 3.41Å
961	D	31.9	Very low	56.1	Low	163 Å²	163	112.1 Å²	112.1	87%	0.872	60%	0.599	S	S	*	*			trans	-62.9	90.5	163.4	-83.3	-37.4	0	0	0	106.3	H959 A963	H959-D961 PolarHBondContact O-N 2.87Å; D961-A963 PolarHBondContact O-N 2.93Å
962	F	34.7	Very low	53.9	Low	167 Å²	167	116.4 Å²	116.4	73%	0.732	61%	0.61	S	S	*	*			trans	-63.2	85.7	169.4	-83	-85.9	0	0	0	107.9	E960 I964	E960-F962 HydrophobicContact CB-CD2 4.13Å; E960-F962 HydrophobicContact CB-CE2 3.94Å; E960-F962 WeakPolarHBondContact O-CD2 3.22Å; E960-F962 PolarHBondContact O-N 3.41Å; F962-I964 PolarHBondContact O-N 3.13Å; F962-I964 VanDerWaalsContact O-N 3.11Å
963	A	35.3	Very low	51.2	Low	101 Å²	101	125.3 Å²	125.3	84%	0.835	65%	0.654	S	S	*	*			trans	-61.2	110.9	169.2	0	0	0	0	0	108.7	D961	D961-A963 PolarHBondContact O-N 2.93Å
964	I	34.7	Very low	48.1	Very low	237 Å²	237	136.6 Å²	136.6	100%	1.215	71%	0.713	S	S	*	*			trans	-83.2	0	169.6	-58.6	176.6	0	0	0	108.4	F962	F962-I964 PolarHBondContact O-N 3.13Å; F962-I964 VanDerWaalsContact O-N 3.11Å

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