A0A3Q0KP06_SCHMA Loading...

Leucine-rich repeat protein

AlphaFold DB , UniProt , Accession A0A3Q0KP06, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 891 aa.

						>A0A3Q0KP06_SCHMA|A0A3Q0KP06
MKNNEKDSNKPSKNNYDLLNDEDILSSEMSTVFMKDDSVRKQTILCYEQMNLKTCPIIDSNEICHFLSLQYNQIHRIEHLHHLTKLVYLNISDNQLTTMNGLETLYSLRILLLGNNQIKQICALNNLYNLNVLDLNHNQIQIIENLIHLKKLYCLNLSFNYITTVTGLSGLISLTELNLRHNNILLIEPIDNVPKLIWIFLSFNHIKSWSQISGLTNLNLFAQVTLDGNPIVSDPTYRKMISSDKRFFKDNTTVYPLKPNPSKAINKMNMDEQCLLKRNVPISFLLENKQHFPDEQQLTTTTTTNIVHELLNYFKEKEQHDSILRANSVDNSINSSTENLTALMNYNDSTLSRNEQNLAYLSNNLSNLIQSNLSLWSIHSDLQYFSPTSTINQMKEGEDNWTEEVTNVNVEINSSDNSNSNNNMVGYSSIGTLTDESVLFPLIPSTKNNLLKFTYSLKGLTHLVLEGILSTTVFNVDDDDNDYNVHKLSNVIENDSKFEKQTNESTENAIKFDCFSSLVNHLQYVQSNNNINDNNNAIISRDDDDENEDNEIERKESNHSLKLLNFNRIVKLTIRNVNWNEFVNCISKLHELLPQLEELNLENNQLKYLHQVTDLIDFEYLTALHITGSNGNPIVEQSGQLWRSFIIWSLADSLNLTFLDGKLIKPNEVNESKNLFSLFYERIKMRNSYCTTSNQSFYKRLETVNNISNMMNNKIPMSDVNIDDSGLRLVNSISSPTLPRTVLNSHNNNNINNNNRNIDATIATTSVHTTSTLVNCSRFVEQQNLLLTKKELNNDNEVTRDNSVDSIRRSSSNKFKINESSINRFKQNQSSIHNISPALKQVNKSENFENGLQSNEGKLSIQNQLLKDWPSILKRLIHQAITDNHITTNKL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.7	Very low	29.7	Very low	238 Å²	238	154.1 Å²	154.1	100%	1.172	78%	0.782	S	S	*	*				0	135.9	0	-81.1	179.1	162.1	0	0	107.9
2	K	32.4	Very low	29.3	Very low	204 Å²	204	149.3 Å²	149.3	89%	0.887	77%	0.774	S	S	*	*			trans	51.7	92.4	169.6	-62.8	-170	177.4	-174.8	0	114.3
3	N	28.8	Very low	29.3	Very low	140 Å²	140	153.8 Å²	153.8	75%	0.749	78%	0.783	S	S	*	*			cis	63.5	120.5	42.1	-92.1	68.8	0	0	0	114.9
4	N	30.4	Very low	28.9	Very low	119 Å²	119	153.4 Å²	153.4	64%	0.636	78%	0.784	S	S	*	*			trans	70.7	151.3	151.6	-54.8	33.3	0	0	0	115.3
5	E	30.2	Very low	28.7	Very low	134 Å²	134	151.3 Å²	151.3	63%	0.626	78%	0.775	S	S	*	*			cis	-168	175.5	-6.5	-109.2	166.9	-138.6	0	0	104.7
6	K	32.1	Very low	28.7	Very low	155 Å²	155	152.9 Å²	152.9	67%	0.674	77%	0.77	S	S	*	*			cis	-160.3	-178	16.2	-140.6	160	-173	136.3	0	109.7
7	D	31.9	Very low	28.5	Very low	136 Å²	136	151.9 Å²	151.9	73%	0.727	77%	0.768	S	S	*	*			trans	70.7	145.5	158.1	-64.7	-40.1	0	0	0	120.7
8	S	28.3	Very low	28.5	Very low	88 Å²	88	153.3 Å²	153.3	62%	0.615	78%	0.777	S	S	*	*				-175.9	98.8	-50.8	37.3	0	0	0	0	108.4
9	N	28.8	Very low	28.4	Very low	173 Å²	173	152.2 Å²	152.2	93%	0.925	77%	0.772	S	S	*	*			trans	-176.3	138.2	142.4	-94.2	-35.2	0	0	0	112
10	K	25.4	Very low	28.4	Very low	190 Å²	190	152.8 Å²	152.8	83%	0.826	78%	0.777	S	S	*	*			trans	-125.6	172.2	168.8	-108.5	-168.3	178.8	-174.8	0	106.2
11	P	30	Very low	28.2	Very low	118 Å²	118	151.7 Å²	151.7	77%	0.766	77%	0.774	S	S	*	*			cis	-131.8	173.3	19.1	38.6	-20.4	0	0	0	116.2
12	S	24.2	Very low	28	Very low	97 Å²	97	149.2 Å²	149.2	68%	0.678	76%	0.759	S	S	*	*			trans	-70.1	143.9	166.9	49.8	0	0	0	0	113.5
13	K	30	Very low	27.7	Very low	207 Å²	207	147 Å²	147	90%	0.9	76%	0.757	S	S	*	*			trans	-156.7	142.6	132.6	-113.8	177.5	-178.1	-176	0	110.4
14	N	23.3	Very low	27.6	Very low	148 Å²	148	148.3 Å²	148.3	79%	0.791	76%	0.762	S	S	*	*			trans	-75.5	160.9	176.1	-57.5	-4	0	0	0	110.4
15	N	26	Very low	27.3	Very low	122 Å²	122	150 Å²	150	65%	0.652	77%	0.77	S	S	*	*			trans	-169.1	140.6	136	-104.8	-5.9	0	0	0	113.1
16	Y	28.8	Very low	27	Very low	177 Å²	177	149.1 Å²	149.1	69%	0.694	78%	0.779	S	S	*	*			trans	57.7	97.3	158.1	-47.5	-49.8	0	0	0	120.4
17	D	24.3	Very low	26.7	Very low	137 Å²	137	146.6 Å²	146.6	73%	0.733	78%	0.781	S	S	*	*				44.8	114.9	101.5	-43.2	-24.3	0	0	0	118.7
18	L	30.2	Very low	26.4	Very low	177 Å²	177	148.1 Å²	148.1	93%	0.927	78%	0.784	S	S	*	*			trans	-133.6	110.7	142.4	-95.3	168.2	0	0	0	107.2
19	L	26.3	Very low	26.2	Very low	132 Å²	132	150.7 Å²	150.7	69%	0.691	79%	0.788	S	S	*	*			trans	-75.2	136.7	178	-73.1	163.2	0	0	0	110.5
20	N	27.5	Very low	25.9	Very low	164 Å²	164	147.6 Å²	147.6	88%	0.877	78%	0.78	S	S	*	*			trans	-119.5	95.8	156.9	-84.6	-9.6	0	0	0	106.1
21	D	24.7	Very low	25.8	Very low	130 Å²	130	144.5 Å²	144.5	70%	0.695	78%	0.777	S	S	*	*			trans	-91.5	98.3	176.1	-67.7	-54.4	0	0	0	110.2
22	E	25.1	Very low	25.5	Very low	185 Å²	185	144.2 Å²	144.2	86%	0.864	77%	0.773	S	S	*	*			trans	-159.2	151.3	146.3	-111.5	173.4	-159.4	0	0	107.7
23	D	25.1	Very low	25.5	Very low	159 Å²	159	148 Å²	148	85%	0.85	78%	0.777	S	S	*	*	S	Bend	trans	58.7	70	-177.2	-69.4	-19.7	0	0	0	118.3
24	I	26.8	Very low	25.2	Very low	166 Å²	166	146.3 Å²	146.3	85%	0.851	78%	0.775	S	S	*	*			trans	-158.9	106.2	130.2	-87.8	136.5	0	0	0	107.7
25	L	24	Very low	25.2	Very low	154 Å²	154	148.6 Å²	148.6	81%	0.806	78%	0.777	S	S	*	*			trans	-152.1	42.1	172.7	-117.5	175.9	0	0	0	113.2
26	S	24.4	Very low	25.3	Very low	116 Å²	116	149 Å²	149	81%	0.811	78%	0.78	S	S	*	*	S	Bend	trans	-149	54.7	-178.4	70.6	0	0	0	0	115.5
27	S	25.7	Very low	25.1	Very low	102 Å²	102	148.6 Å²	148.6	71%	0.713	79%	0.789	S	S	*	*	S	Bend	trans	-165	-24.9	156.7	55.4	0	0	0	0	116.6
28	E	24.9	Very low	25.3	Very low	168 Å²	168	145.2 Å²	145.2	79%	0.785	78%	0.777	S	S	*	*	S	Bend	trans	-98.6	-1.6	-172.3	-60.6	-162.3	139.5	0	0	115.4	S30	E28-S30 PolarHBondContact O-N 2.87Å
29	M	23.9	Very low	25.5	Very low	142 Å²	142	143.3 Å²	143.3	70%	0.7	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	54.9	176.4	-165	78.2	108.4	0	0	112.1	F33	M29-F33 HydrophobicContact SD-CD2 4.48Å; M29-F33 HydrophobicContact SD-CE2 4.46Å
30	S	23	Very low	26	Very low	109 Å²	109	147.2 Å²	147.2	76%	0.762	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144	5.1	-176.7	-67.2	0	0	0	0	115.6	E28	E28-S30 PolarHBondContact O-N 2.87Å
31	T	23.1	Very low	26.6	Very low	125 Å²	125	148.3 Å²	148.3	77%	0.767	78%	0.775	S	S	*	*	S	Bend	trans	-135.8	3.4	-175.6	44.6	0	0	0	0	115.5
32	V	24.7	Very low	27.7	Very low	112 Å²	112	147 Å²	147	68%	0.679	76%	0.764	S	S	*	*	S	Bend	trans	-110	-34	-174.7	-178.9	0	0	0	0	113.9	M34	V32-M34 PolarHBondContact O-N 2.64Å
33	F	23.4	Very low	29.5	Very low	176 Å²	176	139.7 Å²	139.7	77%	0.772	73%	0.732	S	S	*	*	S	Bend	trans	-95.5	53.5	-177.4	-74.4	-77.8	0	0	0	113.8	M29	M29-F33 HydrophobicContact SD-CD2 4.48Å; M29-F33 HydrophobicContact SD-CE2 4.46Å
34	M	22.8	Very low	31.7	Very low	172 Å²	172	134.9 Å²	134.9	85%	0.847	71%	0.706	S	S	*	*	S	Bend	trans	-138.6	46.3	175.4	-86.9	-77.7	163.9	0	0	111	V32	V32-M34 PolarHBondContact O-N 2.64Å
35	K	25.2	Very low	34.1	Very low	195 Å²	195	128 Å²	128	85%	0.848	67%	0.671	S	S	*	*			trans	179.7	83.5	165.2	-104	157.7	-173.6	174.9	0	112.2
36	D	27.9	Very low	36.9	Very low	131 Å²	131	123.9 Å²	123.9	70%	0.701	65%	0.654	S	S	*	*			trans	-149	58.3	147.9	-151.3	-16.7	0	0	0	111.5	S38	D36-S38 PolarHBondContact O-N 3Å; D36-S38 VanDerWaalsContact OD1-CB 3.32Å; D36-S38 WeakPolarHBondContact OD1-CB 3.08Å; D36-S38 PolarHBondContact OD1-OG 3.25Å
37	D	24	Very low	39.6	Very low	168 Å²	168	121.4 Å²	121.4	90%	0.898	63%	0.627	S	S	*	*			trans	-69.3	44.3	171	-68.7	-68.9	0	0	0	112.2
38	S	29	Very low	42.1	Very low	66 Å²	66	118 Å²	118	46%	0.462	60%	0.6	S	S	.	*			trans	-124.6	48.9	-174.1	89	0	0	0	0	113.8	D36 R40	D36-S38 PolarHBondContact O-N 3Å; D36-S38 VanDerWaalsContact OD1-CB 3.32Å; D36-S38 WeakPolarHBondContact OD1-CB 3.08Å; D36-S38 PolarHBondContact OD1-OG 3.25Å; S38-R40 VanDerWaalsContact C-N 3.34Å; S38-R40 WeakPolarHBondContact O-CG 3.3Å; S38-R40 PolarHBondContact O-N 3.38Å
39	V	34.5	Very low	44.8	Very low	137 Å²	137	114 Å²	114	83%	0.83	58%	0.582	S	S	*	*			trans	-48.4	105.1	151.2	174.1	0	0	0	0	107.1	K41	V39-K41 VanDerWaalsContact C-N 3.31Å; V39-K41 PolarHBondContact O-N 3.04Å
40	R	37.1	Very low	47.5	Very low	215 Å²	215	113.1 Å²	113.1	81%	0.811	58%	0.577	S	S	*	*			trans	-67	87.1	-163.8	-68.5	-177.4	-179.5	159.9	1.4	110.8	S38 Q42	S38-R40 VanDerWaalsContact C-N 3.34Å; S38-R40 WeakPolarHBondContact O-CG 3.3Å; S38-R40 PolarHBondContact O-N 3.38Å; R40-Q42 PolarHBondContact O-N 3.25Å
41	K	38.9	Very low	50.4	Low	187 Å²	187	111.2 Å²	111.2	81%	0.813	56%	0.558	S	S	*	*			trans	-52.2	110.5	175.2	-73.3	177.4	179.7	170.8	0	108	V39 T43	V39-K41 VanDerWaalsContact C-N 3.31Å; V39-K41 PolarHBondContact O-N 3.04Å; K41-T43 VanDerWaalsContact C-N 3.26Å; K41-T43 PolarHBondContact O-N 3.14Å; K41-T43 PolarHBondContact O-OG1 3.3Å
42	Q	47.9	Very low	53.5	Low	102 Å²	102	107.5 Å²	107.5	48%	0.477	53%	0.534	S	S	.	.			trans	-67.4	89.6	170	-70.4	-177.8	-1.2	0	0	107.7	R40 I44	R40-Q42 PolarHBondContact O-N 3.25Å; Q42-I44 PolarHBondContact O-N 2.94Å
43	T	62.5	Low	56.8	Low	31 Å²	31	108.1 Å²	108.1	19%	0.19	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	117.8	-169	-33	0	0	0	0	110	K41 L45 H65 F66	K41-T43 VanDerWaalsContact C-N 3.26Å; K41-T43 PolarHBondContact O-N 3.14Å; K41-T43 PolarHBondContact O-OG1 3.3Å; T43-L45 HydrophobicContact CG2-CD1 4.5Å; T43-L45 HydrophobicContact CG2-CD2 3.56Å; T43-L45 HydrophobicContact CG2-CG 3.75Å; T43-H65 PolarHBondContact O-N 3.23Å; T43-F66 PolarHBondContact O-N 3.21Å
44	I	71.5	Confident	60.1	Low	59 Å²	59	103.1 Å²	103.1	30%	0.303	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	117.7	159.8	-58.2	179	0	0	0	105.5	Q42 F66 K447	Q42-I44 PolarHBondContact O-N 2.94Å; I44-F66 WeakPolarHBondContact CA-O 3.48Å; I44-F66 HydrophobicContact CB-CB 4.25Å; I44-F66 HydrophobicContact CG1-CB 3.91Å; I44-F66 HydrophobicContact CG1-CD2 4.22Å; I44-F66 HydrophobicContact CG1-CG 4.2Å; I44-F66 HydrophobicContact CG2-CB 4.2Å; I44-K447 HydrophobicContact CD1-CB 4.28Å; I44-K447 HydrophobicContact CD1-CD 3.63Å; I44-K447 HydrophobicContact CD1-CG 3.94Å; I44-K447 HydrophobicContact CG1-CD 4.18Å
45	L	78.2	Confident	63.4	Low	22 Å²	22	95 Å²	95	12%	0.115	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	113.4	174.2	-67.2	179.8	0	0	0	108.8	T43 Y47 I58 C64 F66 L67 S68	T43-L45 HydrophobicContact CG2-CD1 4.5Å; T43-L45 HydrophobicContact CG2-CD2 3.56Å; T43-L45 HydrophobicContact CG2-CG 3.75Å; L45-Y47 HydrophobicContact CB-CD2 4.41Å; L45-Y47 HydrophobicContact CB-CE2 3.81Å; L45-Y47 HydrophobicContact CD1-CE2 4.33Å; L45-Y47 HydrophobicContact CG-CE2 4.49Å; L45-I58 HydrophobicContact CD1-CB 4.49Å; L45-I58 HydrophobicContact CD1-CD1 3.72Å; L45-I58 HydrophobicContact CD1-CG1 3.88Å; L45-I58 HydrophobicContact CD1-CG2 3.75Å; L45-C64 HydrophobicContact CD1-CB 4.09Å; L45-F66 PolarHBondContact N-O 3.4Å; L45-L67 HydrophobicContact CB-CD1 3.81Å; L45-L67 WeakPolarHBondContact O-CA 3.4Å; L45-S68 PolarHBondContact O-N 3.36Å
46	C	82.1	Confident	66.4	Low	66 Å²	66	86.6 Å²	86.6	45%	0.446	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	104.6	178.8	-75.5	0	0	0	0	109.7	E48	C46-E48 HydrophobicContact CB-CG 4.24Å
47	Y	80.8	Confident	69.2	Low	64 Å²	64	86.7 Å²	86.7	25%	0.251	44%	0.436	S	S	.	.			trans	-106	40.3	174.5	-56.2	-87.9	0	0	0	111	L45 M50 L52 P56 I58 L67 S68 L69 N72	L45-Y47 HydrophobicContact CB-CD2 4.41Å; L45-Y47 HydrophobicContact CB-CE2 3.81Å; L45-Y47 HydrophobicContact CD1-CE2 4.33Å; L45-Y47 HydrophobicContact CG-CE2 4.49Å; Y47-M50 WeakPolarHBondContact O-CG 3.39Å; Y47-L52 HydrophobicContact CG-CD1 4.4Å; Y47-P56 HydrophobicContact CD2-CB 4.46Å; Y47-P56 HydrophobicContact CD2-CG 3.7Å; Y47-P56 HydrophobicContact CE1-CB 4.46Å; Y47-P56 HydrophobicContact CE2-CB 4.22Å; Y47-P56 HydrophobicContact CE2-CG 3.68Å; Y47-P56 HydrophobicContact CG-CG 4.2Å; Y47-I58 HydrophobicContact CE2-CD1 4.37Å; Y47-I58 HydrophobicContact CE2-CG1 4.46Å; Y47-L67 HydrophobicContact CD2-CD1 4.02Å; Y47-L67 HydrophobicContact CE2-CD1 4.09Å; Y47-S68 PolarHBondContact N-O 3.01Å; Y47-L69 HydrophobicContact CD2-CD2 3.83Å; Y47-L69 HydrophobicContact CG-CD2 4.32Å; Y47-N72 PolarHBondContact O-ND2 3.21Å
48	E	79.6	Confident	72	Confident	30 Å²	30	79 Å²	79	14%	0.14	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	142.5	-172.9	-49.6	-172.5	171	0	0	111.6	C46 M50 S68 Q70	C46-E48 HydrophobicContact CB-CG 4.24Å; E48-M50 WeakPolarHBondContact O-CG 3.2Å; E48-M50 PolarHBondContact O-N 3.37Å; E48-S68 WeakPolarHBondContact OE1-CB 3.25Å; E48-S68 PolarHBondContact OE1-OG 3.04Å; E48-Q70 VanDerWaalsContact CA-O 3.27Å; E48-Q70 WeakPolarHBondContact CA-O 3.5Å; E48-Q70 HydrophobicContact CB-CG 4.07Å; E48-Q70 VanDerWaalsContact CD-CG 3.43Å; E48-Q70 HydrophobicContact CG-CG 3.66Å; E48-Q70 PolarHBondContact OE1-NE2 3.49Å; E48-Q70 PolarHBondContact OE2-NE2 3.22Å
49	Q	80.6	Confident	74.2	Confident	86 Å²	86	81.7 Å²	81.7	40%	0.402	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	12.7	178.2	-59.7	176.9	-22.5	0	0	115.4	N51 Q70 Y71	Q49-N51 VanDerWaalsContact C-N 3.27Å; Q49-N51 PolarHBondContact O-N 3.13Å; Q49-N51 PolarHBondContact O-ND2 3.32Å; Q49-Q70 PolarHBondContact N-O 2.85Å; Q49-Q70 VanDerWaalsContact N-O 3.1Å; Q49-Y71 VanDerWaalsContact CA-O 3.27Å; Q49-Y71 WeakPolarHBondContact CA-O 3.45Å; Q49-Y71 HydrophobicContact CG-CG 4.18Å; Q49-Y71 PolarHBondContact N-O 2.95Å
50	M	80.4	Confident	75.8	Confident	123 Å²	123	79.4 Å²	79.4	61%	0.606	39%	0.394	S	S	*	.	S	Bend	trans	-79.5	0.5	-174.2	-66.6	-65.8	-91	0	0	114.7	Y47 E48 L52 N72	Y47-M50 WeakPolarHBondContact O-CG 3.39Å; E48-M50 WeakPolarHBondContact O-CG 3.2Å; E48-M50 PolarHBondContact O-N 3.37Å; M50-L52 HydrophobicContact CB-CD1 4.36Å; M50-L52 HydrophobicContact CB-CD2 4.46Å; M50-L52 HydrophobicContact CB-CG 3.92Å; M50-L52 PolarHBondContact O-N 3.4Å; M50-N72 PolarHBondContact N-OD1 2.56Å
51	N	84.8	Confident	76.9	Confident	69 Å²	69	76.1 Å²	76.1	37%	0.369	39%	0.392	S	S	.	.			trans	57.3	29.9	-175.9	-70.3	-80.4	0	0	0	114.7	Q49 N72 Q73 H878	Q49-N51 VanDerWaalsContact C-N 3.27Å; Q49-N51 PolarHBondContact O-N 3.13Å; Q49-N51 PolarHBondContact O-ND2 3.32Å; N51-N72 PolarHBondContact N-OD1 2.73Å; N51-Q73 PolarHBondContact OD1-NE2 3.2Å; N51-H878 PolarHBondContact OD1-CE1 3.1Å; N51-H878 PolarHBondContact OD1-NE2 2.8Å
52	L	88.1	Confident	78	Confident	47 Å²	47	71.3 Å²	71.3	25%	0.246	37%	0.373	C	S	.	.			trans	-66.3	138.3	175.5	-61.5	178.1	0	0	0	111.3	Y47 M50 P56 N72 Q73 I74	Y47-L52 HydrophobicContact CG-CD1 4.4Å; M50-L52 HydrophobicContact CB-CD1 4.36Å; M50-L52 HydrophobicContact CB-CD2 4.46Å; M50-L52 HydrophobicContact CB-CG 3.92Å; M50-L52 PolarHBondContact O-N 3.4Å; L52-P56 HydrophobicContact CD1-CG 4.49Å; L52-N72 HydrophobicContact CB-CB 4.38Å; L52-N72 PolarHBondContact N-OD1 2.74Å; L52-Q73 CarbonylContact O-C 3.51Å; L52-Q73 VanDerWaalsContact O-C 3.26Å; L52-Q73 VanDerWaalsContact O-CA 3.27Å; L52-Q73 WeakPolarHBondContact O-CA 3.45Å; L52-Q73 WeakPolarHBondContact O-CB 3.41Å; L52-Q73 PolarHBondContact O-N 2.75Å; L52-I74 HydrophobicContact CB-CD1 4.43Å; L52-I74 HydrophobicContact CB-CG1 4.26Å; L52-I74 PolarHBondContact O-N 2.85Å
53	K	93.3	Very high	79.1	Confident	125 Å²	125	70.6 Å²	70.6	54%	0.543	37%	0.371	S	S	.	.	S	Bend	trans	-102.8	-14.3	177.2	-64.3	-174.2	175.7	-170.9	0	114.3	Q73 I74 H75	K53-Q73 HydrophobicContact CG-CB 4.09Å; K53-I74 WeakPolarHBondContact O-CA 3.32Å; K53-H75 PolarHBondContact O-N 2.9Å
54	T	93.7	Very high	79.8	Confident	70 Å²	70	69.2 Å²	69.2	43%	0.429	36%	0.363	S	S	.	.	S	Bend	trans	-134.4	159	-179.1	57.9	0	0	0	0	106.7	E78	T54-E78 VanDerWaalsContact CB-OE1 3.27Å; T54-E78 WeakPolarHBondContact CB-OE1 3.44Å; T54-E78 VanDerWaalsContact CG2-OE1 3.23Å; T54-E78 WeakPolarHBondContact CG2-OE1 3.43Å
55	C	91.1	Very high	80.4	Confident	2 Å²	2	68.7 Å²	68.7	1%	0.014	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-61.8	145.8	169.1	-67.3	0	0	0	0	110	E78 L80	C55-E78 HydrophobicContact CB-CG 4.4Å; C55-E78 WeakPolarHBondContact CB-O 3.27Å; C55-L80 HydrophobicContact CB-CD2 4.04Å; C55-L80 HydrophobicContact CB-CG 4.33Å
56	P	88.2	Confident	80.7	Confident	19 Å²	19	68.2 Å²	68.2	12%	0.123	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-66	146.5	173	28.9	-33.3	0	0	0	110.1	Y47 L52 I58 L69	Y47-P56 HydrophobicContact CD2-CB 4.46Å; Y47-P56 HydrophobicContact CD2-CG 3.7Å; Y47-P56 HydrophobicContact CE1-CB 4.46Å; Y47-P56 HydrophobicContact CE2-CB 4.22Å; Y47-P56 HydrophobicContact CE2-CG 3.68Å; Y47-P56 HydrophobicContact CG-CG 4.2Å; L52-P56 HydrophobicContact CD1-CG 4.49Å; P56-I58 HydrophobicContact CG-CD1 4.31Å; P56-I58 HydrophobicContact CG-CG1 4.4Å; P56-I58 PolarHBondContact O-N 3.14Å; P56-L69 HydrophobicContact CG-CD2 3.8Å
57	I	86.1	Confident	81	Confident	133 Å²	133	65.1 Å²	65.1	68%	0.682	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-76.8	119.4	165.3	-58.5	175.6	0	0	0	106.4	H79	I57-H79 HydrophobicContact CG1-CB 4.49Å
58	I	84.7	Confident	81.3	Confident	7 Å²	7	62.2 Å²	62.2	4%	0.036	32%	0.324	C	S	.	.			trans	-106.7	141.9	174.7	-65	159.9	0	0	0	106.3	L45 Y47 P56 L67 L80 H82 L83	L45-I58 HydrophobicContact CD1-CB 4.49Å; L45-I58 HydrophobicContact CD1-CD1 3.72Å; L45-I58 HydrophobicContact CD1-CG1 3.88Å; L45-I58 HydrophobicContact CD1-CG2 3.75Å; Y47-I58 HydrophobicContact CE2-CD1 4.37Å; Y47-I58 HydrophobicContact CE2-CG1 4.46Å; P56-I58 HydrophobicContact CG-CD1 4.31Å; P56-I58 HydrophobicContact CG-CG1 4.4Å; P56-I58 PolarHBondContact O-N 3.14Å; I58-L67 HydrophobicContact CD1-CD1 3.87Å; I58-L67 HydrophobicContact CD1-CD2 3.91Å; I58-L80 HydrophobicContact CD1-CD2 4.49Å; I58-H82 PolarHBondContact O-CE1 2.87Å; I58-H82 VanDerWaalsContact O-CE1 3.24Å; I58-H82 PolarHBondContact O-NE2 2.96Å; I58-L83 HydrophobicContact CD1-CD1 3.9Å; I58-L83 HydrophobicContact CG2-CD2 4.09Å
59	D	74.7	Confident	81.8	Confident	121 Å²	121	60.8 Å²	60.8	65%	0.647	32%	0.318	S	S	*	.			trans	-71.6	134.5	179.8	-84.5	-38.5	0	0	0	111.1	N61 E62	D59-N61 PolarHBondContact O-N 3.05Å; D59-E62 PolarHBondContact O-N 3.15Å
60	S	68	Low	82	Confident	89 Å²	89	57.1 Å²	57.1	62%	0.622	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-11.5	-178	57.5	0	0	0	0	114.9
61	N	59.9	Low	82.3	Confident	147 Å²	147	53.7 Å²	53.7	79%	0.786	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-16.4	178.8	-61.6	-9.9	0	0	0	112.1	D59	D59-N61 PolarHBondContact O-N 3.05Å
62	E	62.3	Low	82.5	Confident	86 Å²	86	50.9 Å²	50.9	40%	0.402	27%	0.266	S	S	.	.	S	Bend	trans	-82.5	124.1	175.8	-67.4	-152.9	151.7	0	0	111.7	D59 C64	D59-E62 PolarHBondContact O-N 3.15Å; E62-C64 PolarHBondContact O-N 3.37Å
63	I	71.4	Confident	82.8	Confident	87 Å²	87	50.1 Å²	50.1	45%	0.446	26%	0.261	S	S	.	.			trans	-82	66.5	173.7	-40.5	-178.3	0	0	0	109.7	H65 K85	I63-H65 WeakPolarHBondContact CG2-CE1 3.43Å; I63-H65 PolarHBondContact O-CE1 3.04Å; I63-H65 PolarHBondContact O-N 3.18Å; I63-H65 PolarHBondContact O-ND1 3.49Å; I63-K85 HydrophobicContact CG2-CB 4Å; I63-K85 HydrophobicContact CG2-CG 4.15Å
64	C	76.1	Confident	82.9	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.014	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	119.3	174.1	-177.9	0	0	0	0	110.4	L45 E62 F66 L83	L45-C64 HydrophobicContact CD1-CB 4.09Å; E62-C64 PolarHBondContact O-N 3.37Å; C64-F66 PolarHBondContact SG-O 3.43Å; C64-L83 HydrophobicContact CB-CD2 4.12Å
65	H	84	Confident	83	Confident	47 Å²	47	44.8 Å²	44.8	22%	0.218	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-21.5	176.1	-68.6	77.7	0	0	0	111.8	T43 I63 V87 Y88	T43-H65 PolarHBondContact O-N 3.23Å; I63-H65 WeakPolarHBondContact CG2-CE1 3.43Å; I63-H65 PolarHBondContact O-CE1 3.04Å; I63-H65 PolarHBondContact O-N 3.18Å; I63-H65 PolarHBondContact O-ND1 3.49Å; H65-V87 PolarHBondContact O-N 3.33Å; H65-Y88 PolarHBondContact O-N 3.21Å; H65-Y88 VanDerWaalsContact O-N 3.09Å
66	F	85.7	Confident	83.2	Confident	13 Å²	13	52.3 Å²	52.3	6%	0.057	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	113.4	-172.3	-63.2	-87.6	0	0	0	109.9	T43 I44 L45 C64 Y88 V307 L311	T43-F66 PolarHBondContact O-N 3.21Å; I44-F66 WeakPolarHBondContact CA-O 3.48Å; I44-F66 HydrophobicContact CB-CB 4.25Å; I44-F66 HydrophobicContact CG1-CB 3.91Å; I44-F66 HydrophobicContact CG1-CD2 4.22Å; I44-F66 HydrophobicContact CG1-CG 4.2Å; I44-F66 HydrophobicContact CG2-CB 4.2Å; L45-F66 PolarHBondContact N-O 3.4Å; C64-F66 PolarHBondContact SG-O 3.43Å; F66-Y88 VanDerWaalsContact CD1-CB 3.41Å; F66-Y88 HydrophobicContact CD1-CD1 4.3Å; F66-Y88 AromaticContact CD1-CG 3.99Å; F66-Y88 HydrophobicContact CD1-CG 3.99Å; F66-V307 HydrophobicContact CD1-CG1 4.36Å; F66-V307 HydrophobicContact CE1-CG1 4.49Å; F66-L311 HydrophobicContact CD1-CD1 4.34Å; F66-L311 HydrophobicContact CE1-CD1 3.48Å; F66-L311 VanDerWaalsContact CE1-CD1 3.48Å; F66-L311 HydrophobicContact CE1-CD2 3.71Å; F66-L311 HydrophobicContact CE1-CG 4.04Å; F66-L311 HydrophobicContact CZ-CD1 3.69Å; F66-L311 HydrophobicContact CZ-CD2 3.7Å; F66-L311 HydrophobicContact CZ-CG 4.31Å
67	L	87.1	Confident	83.6	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	123.7	179.3	-178.9	58	0	0	0	110	L45 Y47 I58 L69 L80 L83 L86 Y88 L89 N90	L45-L67 HydrophobicContact CB-CD1 3.81Å; L45-L67 WeakPolarHBondContact O-CA 3.4Å; Y47-L67 HydrophobicContact CD2-CD1 4.02Å; Y47-L67 HydrophobicContact CE2-CD1 4.09Å; I58-L67 HydrophobicContact CD1-CD1 3.87Å; I58-L67 HydrophobicContact CD1-CD2 3.91Å; L67-L69 HydrophobicContact CD1-CD2 3.92Å; L67-L69 HydrophobicContact CD1-CG 4.11Å; L67-L69 HydrophobicContact CD2-CD1 4.08Å; L67-L69 HydrophobicContact CD2-CG 4.4Å; L67-L69 HydrophobicContact CG-CD1 4.2Å; L67-L69 HydrophobicContact CG-CD2 4.34Å; L67-L69 HydrophobicContact CG-CG 3.98Å; L67-L80 HydrophobicContact CD2-CD1 3.92Å; L67-L80 HydrophobicContact CD2-CD2 3.62Å; L67-L80 HydrophobicContact CD2-CG 4.4Å; L67-L83 HydrophobicContact CD2-CD1 4.01Å; L67-L86 HydrophobicContact CB-CD1 3.64Å; L67-L86 HydrophobicContact CB-CD2 4.16Å; L67-L86 HydrophobicContact CD2-CD2 4.46Å; L67-Y88 PolarHBondContact N-O 3.08Å; L67-L89 HydrophobicContact CB-CD1 4.16Å; L67-L89 HydrophobicContact CD2-CD1 4.05Å; L67-L89 HydrophobicContact CG-CD1 4.05Å; L67-L89 WeakPolarHBondContact O-CA 3.42Å; L67-N90 PolarHBondContact O-N 2.98Å
68	S	88.4	Confident	84	Confident	4 Å²	4	48.6 Å²	48.6	3%	0.028	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	121.9	174.1	-156	0	0	0	0	110.1	L45 Y47 E48 N90	L45-S68 PolarHBondContact O-N 3.36Å; Y47-S68 PolarHBondContact N-O 3.01Å; E48-S68 WeakPolarHBondContact OE1-CB 3.25Å; E48-S68 PolarHBondContact OE1-OG 3.04Å; S68-N90 PolarHBondContact OG-ND2 3.13Å
69	L	88.9	Confident	84.3	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.256	C	S	.	.			trans	-124	17	-176.8	-61.5	176.9	0	0	0	110.8	Y47 P56 L67 N72 I74 L80 L89 N90 I91 N94	Y47-L69 HydrophobicContact CD2-CD2 3.83Å; Y47-L69 HydrophobicContact CG-CD2 4.32Å; P56-L69 HydrophobicContact CG-CD2 3.8Å; L67-L69 HydrophobicContact CD1-CD2 3.92Å; L67-L69 HydrophobicContact CD1-CG 4.11Å; L67-L69 HydrophobicContact CD2-CD1 4.08Å; L67-L69 HydrophobicContact CD2-CG 4.4Å; L67-L69 HydrophobicContact CG-CD1 4.2Å; L67-L69 HydrophobicContact CG-CD2 4.34Å; L67-L69 HydrophobicContact CG-CG 3.98Å; L69-N72 PolarHBondContact O-ND2 3.14Å; L69-I74 HydrophobicContact CB-CD1 4Å; L69-I74 HydrophobicContact CD1-CD1 4.11Å; L69-I74 HydrophobicContact CG-CD1 4.45Å; L69-L80 HydrophobicContact CD1-CD1 4.47Å; L69-L89 HydrophobicContact CD1-CD1 4.44Å; L69-N90 PolarHBondContact N-O 3.34Å; L69-I91 HydrophobicContact CB-CB 4.19Å; L69-I91 HydrophobicContact CB-CD1 4.3Å; L69-I91 HydrophobicContact CB-CG1 3.93Å; L69-I91 HydrophobicContact CD1-CD1 3.85Å; L69-I91 HydrophobicContact CD1-CG1 4.36Å; L69-N94 PolarHBondContact O-ND2 2.86Å
70	Q	85.2	Confident	85.2	Confident	8 Å²	8	46.4 Å²	46.4	4%	0.037	23%	0.225	C	C	.	.			trans	-64.3	155.4	-175.3	59.2	171.8	20.2	0	0	113.8	E48 Q49 N72 N90 S92 T303	E48-Q70 VanDerWaalsContact CA-O 3.27Å; E48-Q70 WeakPolarHBondContact CA-O 3.5Å; E48-Q70 HydrophobicContact CB-CG 4.07Å; E48-Q70 VanDerWaalsContact CD-CG 3.43Å; E48-Q70 HydrophobicContact CG-CG 3.66Å; E48-Q70 PolarHBondContact OE1-NE2 3.49Å; E48-Q70 PolarHBondContact OE2-NE2 3.22Å; Q49-Q70 PolarHBondContact N-O 2.85Å; Q49-Q70 VanDerWaalsContact N-O 3.1Å; Q70-N72 PolarHBondContact O-ND2 2.8Å; Q70-N90 PolarHBondContact OE1-ND2 3.37Å; Q70-S92 VanDerWaalsContact CA-O 3.3Å; Q70-S92 WeakPolarHBondContact CA-O 3.42Å; Q70-T303 PolarHBondContact NE2-OG1 3.27Å
71	Y	86	Confident	86.3	Confident	51 Å²	51	47.7 Å²	47.7	20%	0.2	22%	0.221	C	C	.	.	S	Bend	trans	57.2	51.7	-178.6	-59.8	-93.3	0	0	0	112.9	Q49 S92 D93 Q290 H885	Q49-Y71 VanDerWaalsContact CA-O 3.27Å; Q49-Y71 WeakPolarHBondContact CA-O 3.45Å; Q49-Y71 HydrophobicContact CG-CG 4.18Å; Q49-Y71 PolarHBondContact N-O 2.95Å; Y71-S92 PolarHBondContact N-O 2.98Å; Y71-D93 CarbonylContact C-O 3.6Å; Y71-D93 VanDerWaalsContact CA-O 3.26Å; Y71-D93 WeakPolarHBondContact CA-O 3.34Å; Y71-D93 HydrophobicContact CD1-CB 3.98Å; Y71-D93 HydrophobicContact CD2-CB 4.3Å; Y71-D93 HydrophobicContact CE1-CB 4.23Å; Y71-D93 HydrophobicContact CE2-CB 4.49Å; Y71-D93 HydrophobicContact CG-CB 4.01Å; Y71-D93 PolarHBondContact N-O 3.18Å; Y71-Q290 PolarHBondContact OH-NE2 3.4Å; Y71-Q290 VanDerWaalsContact OH-NE2 3.17Å; Y71-H885 AromaticContact CD1-CE1 3.94Å; Y71-H885 AromaticContact CE1-CE1 3.41Å; Y71-H885 VanDerWaalsContact CE1-CE1 3.41Å; Y71-H885 WeakPolarHBondContact CE1-CE1 3.28Å; Y71-H885 AromaticContact CE1-NE2 3.48Å; Y71-H885 WeakPolarHBondContact CE1-NE2 3.45Å
72	N	88.9	Confident	87.8	Confident	11 Å²	11	43.3 Å²	43.3	6%	0.059	20%	0.196	C	C	.	.	S	Bend	trans	-125.8	-168	178.2	-80.7	-68.3	0	0	0	111	Y47 M50 N51 L52 L69 Q70 I74 D93 N94	Y47-N72 PolarHBondContact O-ND2 3.21Å; M50-N72 PolarHBondContact N-OD1 2.56Å; N51-N72 PolarHBondContact N-OD1 2.73Å; L52-N72 HydrophobicContact CB-CB 4.38Å; L52-N72 PolarHBondContact N-OD1 2.74Å; L69-N72 PolarHBondContact O-ND2 3.14Å; Q70-N72 PolarHBondContact O-ND2 2.8Å; N72-I74 HydrophobicContact CB-CD1 4.27Å; N72-I74 HydrophobicContact CB-CG1 4.04Å; N72-D93 PolarHBondContact N-O 2.74Å; N72-N94 WeakPolarHBondContact CA-OD1 3.41Å; N72-N94 WeakPolarHBondContact CB-OD1 3.3Å; N72-N94 PolarHBondContact O-OD1 2.95Å
73	Q	94.7	Very high	89.1	Confident	30 Å²	30	39.5 Å²	39.5	14%	0.14	18%	0.178	C	C	.	.			trans	-117.7	24	-179	-57.8	174.2	41.7	0	0	110.8	N51 L52 K53 H75 N94 H878	N51-Q73 PolarHBondContact OD1-NE2 3.2Å; L52-Q73 CarbonylContact O-C 3.51Å; L52-Q73 VanDerWaalsContact O-C 3.26Å; L52-Q73 VanDerWaalsContact O-CA 3.27Å; L52-Q73 WeakPolarHBondContact O-CA 3.45Å; L52-Q73 WeakPolarHBondContact O-CB 3.41Å; L52-Q73 PolarHBondContact O-N 2.75Å; K53-Q73 HydrophobicContact CG-CB 4.09Å; Q73-H75 PolarHBondContact O-CD2 2.78Å; Q73-H75 PolarHBondContact O-CE1 2.91Å; Q73-H75 PolarHBondContact O-N 2.86Å; Q73-H75 PolarHBondContact O-ND1 3.3Å; Q73-H75 PolarHBondContact O-NE2 3.34Å; Q73-N94 PolarHBondContact N-OD1 3.42Å; Q73-H878 PolarHBondContact NE2-CE1 3.09Å; Q73-H878 PolarHBondContact NE2-NE2 2.84Å
74	I	96	Very high	90.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	17%	0.172	C	C	.	.			trans	-70.2	122.3	-171.9	-56.9	173.6	0	0	0	109.5	L52 K53 L69 N72 R76 I91 N94 Q95 L96	L52-I74 HydrophobicContact CB-CD1 4.43Å; L52-I74 HydrophobicContact CB-CG1 4.26Å; L52-I74 PolarHBondContact O-N 2.85Å; K53-I74 WeakPolarHBondContact O-CA 3.32Å; L69-I74 HydrophobicContact CB-CD1 4Å; L69-I74 HydrophobicContact CD1-CD1 4.11Å; L69-I74 HydrophobicContact CG-CD1 4.45Å; N72-I74 HydrophobicContact CB-CD1 4.27Å; N72-I74 HydrophobicContact CB-CG1 4.04Å; I74-R76 WeakPolarHBondContact CG2-O 3.29Å; I74-I91 HydrophobicContact CB-CD1 4.29Å; I74-I91 HydrophobicContact CD1-CD1 3.99Å; I74-I91 HydrophobicContact CD1-CG1 4.41Å; I74-I91 HydrophobicContact CG2-CD1 4.03Å; I74-N94 VanDerWaalsContact CB-OD1 3.23Å; I74-N94 WeakPolarHBondContact CB-OD1 3.36Å; I74-N94 WeakPolarHBondContact CG1-OD1 3.43Å; I74-N94 PolarHBondContact N-OD1 2.77Å; I74-Q95 CarbonylContact O-C 3.41Å; I74-Q95 VanDerWaalsContact O-C 3.25Å; I74-Q95 WeakPolarHBondContact O-CA 3.39Å; I74-Q95 PolarHBondContact O-N 3.18Å; I74-L96 HydrophobicContact CG2-CD2 4.17Å; I74-L96 PolarHBondContact O-N 3.03Å
75	H	95.8	Very high	90.7	Very high	83 Å²	83	43.5 Å²	43.5	38%	0.384	20%	0.197	S	C	.	.			trans	-93.6	-19.1	-176.3	-53.5	-67.5	0	0	0	113.6	K53 Q73 Q95	K53-H75 PolarHBondContact O-N 2.9Å; Q73-H75 PolarHBondContact O-CD2 2.78Å; Q73-H75 PolarHBondContact O-CE1 2.91Å; Q73-H75 PolarHBondContact O-N 2.86Å; Q73-H75 PolarHBondContact O-ND1 3.3Å; Q73-H75 PolarHBondContact O-NE2 3.34Å; H75-Q95 PolarHBondContact CE1-OE1 3.01Å; H75-Q95 VanDerWaalsContact CE1-OE1 3.25Å; H75-Q95 WeakPolarHBondContact ND1-CB 3.39Å
76	R	96.3	Very high	91	Very high	161 Å²	161	41.3 Å²	41.3	61%	0.608	19%	0.186	S	C	*	.	S	Bend	trans	-148.3	149.1	-178.1	-70.6	-175.1	169.5	-179.1	-5.2	111.8	I74	I74-R76 WeakPolarHBondContact CG2-O 3.29Å
77	I	96.1	Very high	91.2	Very high	9 Å²	9	41.7 Å²	41.7	5%	0.046	19%	0.19	C	C	.	.			trans	-85.5	114.3	169.5	-50.3	179.4	0	0	0	107.3	L80 I91 L96 L102 L113	I77-L80 HydrophobicContact CG2-CD1 3.89Å; I77-L80 HydrophobicContact CG2-CG 4.34Å; I77-I91 HydrophobicContact CG1-CD1 4.41Å; I77-L96 HydrophobicContact CD1-CD1 4.05Å; I77-L96 HydrophobicContact CG1-CD1 3.93Å; I77-L96 HydrophobicContact CG1-CD2 3.88Å; I77-L102 HydrophobicContact CD1-CD1 4.13Å; I77-L102 HydrophobicContact CD1-CD2 3.81Å; I77-L102 HydrophobicContact CD1-CG 3.78Å; I77-L102 HydrophobicContact CG2-CD2 4.34Å; I77-L113 HydrophobicContact CD1-CD2 4.26Å
78	E	93.8	Very high	91.4	Very high	65 Å²	65	42.1 Å²	42.1	30%	0.304	19%	0.191	S	C	.	.			trans	-147.1	167.1	-175.1	58.1	-166.5	175.7	0	0	110.1	T54 C55 L80	T54-E78 VanDerWaalsContact CB-OE1 3.27Å; T54-E78 WeakPolarHBondContact CB-OE1 3.44Å; T54-E78 VanDerWaalsContact CG2-OE1 3.23Å; T54-E78 WeakPolarHBondContact CG2-OE1 3.43Å; C55-E78 HydrophobicContact CB-CG 4.4Å; C55-E78 WeakPolarHBondContact CB-O 3.27Å; E78-L80 WeakPolarHBondContact O-CG 3.45Å; E78-L80 PolarHBondContact O-N 2.99Å
79	H	91.4	Very high	91.6	Very high	80 Å²	80	41.9 Å²	41.9	37%	0.37	19%	0.19	S	C	.	.	S	Bend	trans	59.8	-23.8	-174.9	-53.3	-61.6	0	0	0	117.7	I57 H81 H82	I57-H79 HydrophobicContact CG1-CB 4.49Å; H79-H81 PolarHBondContact O-N 3.22Å; H79-H81 VanDerWaalsContact O-N 3.1Å; H79-H82 PolarHBondContact O-CE1 2.91Å; H79-H82 PolarHBondContact O-ND1 3.21Å
80	L	92.6	Very high	91.7	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-68.9	-7.3	-175.7	-52.3	-168.9	0	0	0	115.4	C55 I58 L67 L69 I77 E78 H82 L83 L89	C55-L80 HydrophobicContact CB-CD2 4.04Å; C55-L80 HydrophobicContact CB-CG 4.33Å; I58-L80 HydrophobicContact CD1-CD2 4.49Å; L67-L80 HydrophobicContact CD2-CD1 3.92Å; L67-L80 HydrophobicContact CD2-CD2 3.62Å; L67-L80 HydrophobicContact CD2-CG 4.4Å; L69-L80 HydrophobicContact CD1-CD1 4.47Å; I77-L80 HydrophobicContact CG2-CD1 3.89Å; I77-L80 HydrophobicContact CG2-CG 4.34Å; E78-L80 WeakPolarHBondContact O-CG 3.45Å; E78-L80 PolarHBondContact O-N 2.99Å; L80-H82 PolarHBondContact O-N 3.46Å; L80-L83 HydrophobicContact CB-CD1 4.26Å; L80-L83 HydrophobicContact CD2-CD1 4.01Å; L80-L83 VanDerWaalsContact O-CB 3.28Å; L80-L83 WeakPolarHBondContact O-CB 3.45Å; L80-L83 PolarHBondContact O-N 2.97Å; L80-L89 HydrophobicContact CD1-CD1 4.16Å; L80-L89 HydrophobicContact CD1-CD2 4.14Å
81	H	92	Very high	92.2	Very high	115 Å²	115	41.5 Å²	41.5	53%	0.532	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-61.2	-20.8	-167.3	62.6	-95.4	0	0	0	115.6	H79 T104	H79-H81 PolarHBondContact O-N 3.22Å; H79-H81 VanDerWaalsContact O-N 3.1Å; H81-T104 VanDerWaalsContact CA-OG1 3.3Å; H81-T104 WeakPolarHBondContact CA-OG1 3.26Å; H81-T104 WeakPolarHBondContact O-CB 3.49Å; H81-T104 PolarHBondContact O-OG1 2.99Å
82	H	90.3	Very high	92.4	Very high	55 Å²	55	39.6 Å²	39.6	26%	0.255	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-83.8	-15.8	176.8	62.2	-93.6	0	0	0	112.5	I58 H79 L80 T84	I58-H82 PolarHBondContact O-CE1 2.87Å; I58-H82 VanDerWaalsContact O-CE1 3.24Å; I58-H82 PolarHBondContact O-NE2 2.96Å; H79-H82 PolarHBondContact O-CE1 2.91Å; H79-H82 PolarHBondContact O-ND1 3.21Å; L80-H82 PolarHBondContact O-N 3.46Å; H82-T84 PolarHBondContact O-N 2.8Å
83	L	91.4	Very high	92.5	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.031	18%	0.184	C	C	.	.			trans	-76.4	47.8	-179	-55.9	178.3	0	0	0	112.2	I58 C64 L67 L80 K85 L86 L105	I58-L83 HydrophobicContact CD1-CD1 3.9Å; I58-L83 HydrophobicContact CG2-CD2 4.09Å; C64-L83 HydrophobicContact CB-CD2 4.12Å; L67-L83 HydrophobicContact CD2-CD1 4.01Å; L80-L83 HydrophobicContact CB-CD1 4.26Å; L80-L83 HydrophobicContact CD2-CD1 4.01Å; L80-L83 VanDerWaalsContact O-CB 3.28Å; L80-L83 WeakPolarHBondContact O-CB 3.45Å; L80-L83 PolarHBondContact O-N 2.97Å; L83-K85 PolarHBondContact O-N 2.96Å; L83-L86 HydrophobicContact CB-CB 4.18Å; L83-L86 WeakPolarHBondContact O-CB 3.47Å; L83-L86 PolarHBondContact O-N 3.42Å; L83-L105 HydrophobicContact CB-CD2 4.25Å; L83-L105 WeakPolarHBondContact O-CD2 3.45Å
84	T	91.1	Very high	92.5	Very high	52 Å²	52	39 Å²	39	32%	0.319	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-15.1	-177	60.9	0	0	0	0	114	H82 Y106 S107	H82-T84 PolarHBondContact O-N 2.8Å; T84-Y106 HydrophobicContact CG2-CD2 4.44Å; T84-Y106 HydrophobicContact CG2-CE2 4.35Å; T84-S107 VanDerWaalsContact O-CB 3.29Å; T84-S107 WeakPolarHBondContact O-CB 3.46Å; T84-S107 PolarHBondContact O-OG 3.38Å
85	K	89.4	Confident	92.6	Very high	122 Å²	122	41.3 Å²	41.3	53%	0.53	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	0.3	175.4	-59	-57.1	-175.2	-178.7	0	114.5	I63 L83 V87	I63-K85 HydrophobicContact CG2-CB 4Å; I63-K85 HydrophobicContact CG2-CG 4.15Å; L83-K85 PolarHBondContact O-N 2.96Å; K85-V87 PolarHBondContact O-N 3.23Å
86	L	90	Very high	92.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.173	C	C	.	.			trans	-63.6	127	178.5	-164.7	71.6	0	0	0	110.7	L67 L83 L89 L105 S107 L108	L67-L86 HydrophobicContact CB-CD1 3.64Å; L67-L86 HydrophobicContact CB-CD2 4.16Å; L67-L86 HydrophobicContact CD2-CD2 4.46Å; L83-L86 HydrophobicContact CB-CB 4.18Å; L83-L86 WeakPolarHBondContact O-CB 3.47Å; L83-L86 PolarHBondContact O-N 3.42Å; L86-L89 HydrophobicContact CD2-CB 3.9Å; L86-L89 HydrophobicContact CD2-CD1 4.27Å; L86-L89 HydrophobicContact CD2-CG 4.45Å; L86-L105 HydrophobicContact CD2-CD1 4.27Å; L86-S107 CarbonylContact O-C 3.09Å; L86-S107 WeakPolarHBondContact O-CB 3.21Å; L86-L108 HydrophobicContact CB-CD1 4.31Å; L86-L108 HydrophobicContact CD2-CD1 4.05Å; L86-L108 HydrophobicContact CG-CD1 4Å; L86-L108 VanDerWaalsContact O-CA 3.32Å; L86-L108 WeakPolarHBondContact O-CA 3.48Å; L86-L108 PolarHBondContact O-N 2.78Å; L86-L108 VanDerWaalsContact O-N 3.15Å
87	V	89.8	Confident	92.7	Very high	22 Å²	22	33.3 Å²	33.3	13%	0.133	17%	0.166	C	C	.	.			trans	-104.8	-35.8	-178.3	179.7	0	0	0	0	111	H65 K85 R109 I110	H65-V87 PolarHBondContact O-N 3.33Å; K85-V87 PolarHBondContact O-N 3.23Å; V87-R109 HydrophobicContact CG1-CB 4.03Å; V87-R109 HydrophobicContact CG1-CG 3.95Å; V87-R109 PolarHBondContact O-N 2.9Å; V87-I110 PolarHBondContact O-N 3.43Å; V87-I110 VanDerWaalsContact O-N 3.13Å
88	Y	90.7	Very high	92.8	Very high	8 Å²	8	34.7 Å²	34.7	3%	0.031	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	125.3	178.9	175.4	-87.9	0	0	0	110.2	H65 F66 L67 N90 I110 L112 V307	H65-Y88 PolarHBondContact O-N 3.21Å; H65-Y88 VanDerWaalsContact O-N 3.09Å; F66-Y88 VanDerWaalsContact CD1-CB 3.41Å; F66-Y88 HydrophobicContact CD1-CD1 4.3Å; F66-Y88 AromaticContact CD1-CG 3.99Å; F66-Y88 HydrophobicContact CD1-CG 3.99Å; L67-Y88 PolarHBondContact N-O 3.08Å; Y88-N90 HydrophobicContact CE1-CB 3.56Å; Y88-N90 WeakPolarHBondContact OH-CB 3.29Å; Y88-I110 HydrophobicContact CD2-CB 3.7Å; Y88-I110 HydrophobicContact CD2-CD1 3.89Å; Y88-I110 HydrophobicContact CD2-CG1 4.42Å; Y88-I110 HydrophobicContact CD2-CG2 3.54Å; Y88-I110 HydrophobicContact CE2-CB 4.38Å; Y88-I110 HydrophobicContact CE2-CG2 3.7Å; Y88-L112 HydrophobicContact CE2-CD1 4.12Å; Y88-V307 HydrophobicContact CD2-CG1 4.45Å; Y88-V307 HydrophobicContact CD2-CG2 4.23Å; Y88-V307 HydrophobicContact CE1-CG2 4.24Å; Y88-V307 HydrophobicContact CE2-CG1 4.44Å; Y88-V307 HydrophobicContact CE2-CG2 3.44Å; Y88-V307 VanDerWaalsContact CE2-CG2 3.44Å; Y88-V307 VanDerWaalsContact CZ-CG2 3.42Å; Y88-V307 WeakPolarHBondContact OH-CG2 3.35Å
89	L	93.6	Very high	93	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	121	168.2	178.5	58.2	0	0	0	109.4	L67 L69 L80 L86 I91 L102 L105 L108 I110 L111 L112	L67-L89 HydrophobicContact CB-CD1 4.16Å; L67-L89 HydrophobicContact CD2-CD1 4.05Å; L67-L89 HydrophobicContact CG-CD1 4.05Å; L67-L89 WeakPolarHBondContact O-CA 3.42Å; L69-L89 HydrophobicContact CD1-CD1 4.44Å; L80-L89 HydrophobicContact CD1-CD1 4.16Å; L80-L89 HydrophobicContact CD1-CD2 4.14Å; L86-L89 HydrophobicContact CD2-CB 3.9Å; L86-L89 HydrophobicContact CD2-CD1 4.27Å; L86-L89 HydrophobicContact CD2-CG 4.45Å; L89-I91 HydrophobicContact CG-CG2 4.38Å; L89-L102 HydrophobicContact CD2-CD2 3.58Å; L89-L105 HydrophobicContact CD2-CD1 4.17Å; L89-L108 HydrophobicContact CB-CD1 3.81Å; L89-L108 HydrophobicContact CB-CD2 4.31Å; L89-I110 PolarHBondContact N-O 3.25Å; L89-L111 HydrophobicContact CB-CD1 4.24Å; L89-L111 HydrophobicContact CD2-CD1 4.08Å; L89-L111 HydrophobicContact CG-CD1 4.25Å; L89-L111 WeakPolarHBondContact O-CA 3.26Å; L89-L112 PolarHBondContact O-N 3.39Å
90	N	91.1	Very high	93.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	114.5	167.3	178.2	23.6	0	0	0	109.6	L67 S68 L69 Q70 Y88 S92 L112	L67-N90 PolarHBondContact O-N 2.98Å; S68-N90 PolarHBondContact OG-ND2 3.13Å; L69-N90 PolarHBondContact N-O 3.34Å; Q70-N90 PolarHBondContact OE1-ND2 3.37Å; Y88-N90 HydrophobicContact CE1-CB 3.56Å; Y88-N90 WeakPolarHBondContact OH-CB 3.29Å; N90-S92 VanDerWaalsContact OD1-CB 3.32Å; N90-S92 WeakPolarHBondContact OD1-CB 3.49Å; N90-S92 PolarHBondContact OD1-N 3Å; N90-S92 PolarHBondContact OD1-OG 3.48Å; N90-L112 HydrophobicContact CB-CB 4.21Å; N90-L112 HydrophobicContact CB-CD1 4.27Å; N90-L112 WeakPolarHBondContact OD1-CB 3.36Å
91	I	95.1	Very high	93.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.174	C	C	.	.			trans	-132.8	35.3	173.2	-167.6	169.6	0	0	0	109.4	L69 I74 I77 L89 N94 L96 L112 L113 N116	L69-I91 HydrophobicContact CB-CB 4.19Å; L69-I91 HydrophobicContact CB-CD1 4.3Å; L69-I91 HydrophobicContact CB-CG1 3.93Å; L69-I91 HydrophobicContact CD1-CD1 3.85Å; L69-I91 HydrophobicContact CD1-CG1 4.36Å; I74-I91 HydrophobicContact CB-CD1 4.29Å; I74-I91 HydrophobicContact CD1-CD1 3.99Å; I74-I91 HydrophobicContact CD1-CG1 4.41Å; I74-I91 HydrophobicContact CG2-CD1 4.03Å; I77-I91 HydrophobicContact CG1-CD1 4.41Å; L89-I91 HydrophobicContact CG-CG2 4.38Å; I91-N94 HydrophobicContact CG1-CB 4.43Å; I91-N94 PolarHBondContact O-ND2 2.88Å; I91-L96 HydrophobicContact CD1-CD1 4.12Å; I91-L96 HydrophobicContact CD1-CD2 4.36Å; I91-L96 HydrophobicContact CG1-CD1 4.11Å; I91-L96 HydrophobicContact CG2-CD1 3.74Å; I91-L112 CarbonylContact C-O 3.48Å; I91-L112 PolarHBondContact N-O 3.16Å; I91-L113 HydrophobicContact CG2-CD2 3.45Å; I91-L113 VanDerWaalsContact CG2-CD2 3.45Å; I91-L113 HydrophobicContact CG2-CG 4.41Å; I91-N116 PolarHBondContact O-ND2 2.98Å
92	S	90.7	Very high	93.6	Very high	11 Å²	11	27.2 Å²	27.2	8%	0.077	15%	0.149	C	C	.	.			trans	-62.2	164.4	169.2	-47.5	0	0	0	0	110.8	Q70 Y71 N90 N94 L112 G114	Q70-S92 VanDerWaalsContact CA-O 3.3Å; Q70-S92 WeakPolarHBondContact CA-O 3.42Å; Y71-S92 PolarHBondContact N-O 2.98Å; N90-S92 VanDerWaalsContact OD1-CB 3.32Å; N90-S92 WeakPolarHBondContact OD1-CB 3.49Å; N90-S92 PolarHBondContact OD1-N 3Å; N90-S92 PolarHBondContact OD1-OG 3.48Å; S92-N94 PolarHBondContact O-N 2.85Å; S92-N94 PolarHBondContact O-ND2 2.82Å; S92-L112 PolarHBondContact N-O 3.34Å; S92-L112 WeakPolarHBondContact OG-CB 3.41Å; S92-L112 PolarHBondContact OG-O 3.21Å; S92-G114 CarbonylContact C-O 3.6Å; S92-G114 WeakPolarHBondContact CA-O 3.38Å; S92-G114 WeakPolarHBondContact CB-O 3.48Å; S92-G114 PolarHBondContact OG-N 3.24Å
93	D	91.5	Very high	93.9	Very high	17 Å²	17	27.9 Å²	27.9	9%	0.091	15%	0.152	C	C	.	.	S	Bend	trans	59.4	52	170.7	-45	-68.5	0	0	0	111.8	Y71 N72 G114 N115 H885	Y71-D93 CarbonylContact C-O 3.6Å; Y71-D93 VanDerWaalsContact CA-O 3.26Å; Y71-D93 WeakPolarHBondContact CA-O 3.34Å; Y71-D93 HydrophobicContact CD1-CB 3.98Å; Y71-D93 HydrophobicContact CD2-CB 4.3Å; Y71-D93 HydrophobicContact CE1-CB 4.23Å; Y71-D93 HydrophobicContact CE2-CB 4.49Å; Y71-D93 HydrophobicContact CG-CB 4.01Å; Y71-D93 PolarHBondContact N-O 3.18Å; N72-D93 PolarHBondContact N-O 2.74Å; D93-G114 PolarHBondContact N-O 3.44Å; D93-N115 WeakPolarHBondContact CA-O 3.33Å; D93-N115 HydrophobicContact CB-CB 4.47Å; D93-N115 PolarHBondContact N-O 2.97Å; D93-N115 WeakPolarHBondContact OD1-CB 3.37Å; D93-N115 PolarHBondContact OD1-ND2 2.74Å; D93-H885 IonicContact OD1-CE1 2.71Å; D93-H885 PolarHBondContact OD1-CE1 3.16Å; D93-H885 IonicContact OD1-ND1 2.61Å; D93-H885 IonicContact OD1-NE2 2.77Å
94	N	94.2	Very high	94.1	Very high	11 Å²	11	29.4 Å²	29.4	6%	0.059	16%	0.161	C	C	.	.	S	Bend	trans	-139.6	-162.2	-172.3	-93	-80.2	0	0	0	110.4	L69 N72 Q73 I74 I91 S92 N115 N116	L69-N94 PolarHBondContact O-ND2 2.86Å; N72-N94 WeakPolarHBondContact CA-OD1 3.41Å; N72-N94 WeakPolarHBondContact CB-OD1 3.3Å; N72-N94 PolarHBondContact O-OD1 2.95Å; Q73-N94 PolarHBondContact N-OD1 3.42Å; I74-N94 VanDerWaalsContact CB-OD1 3.23Å; I74-N94 WeakPolarHBondContact CB-OD1 3.36Å; I74-N94 WeakPolarHBondContact CG1-OD1 3.43Å; I74-N94 PolarHBondContact N-OD1 2.77Å; I91-N94 HydrophobicContact CG1-CB 4.43Å; I91-N94 PolarHBondContact O-ND2 2.88Å; S92-N94 PolarHBondContact O-N 2.85Å; S92-N94 PolarHBondContact O-ND2 2.82Å; N94-N115 PolarHBondContact N-O 2.88Å; N94-N116 WeakPolarHBondContact CA-OD1 3.35Å; N94-N116 VanDerWaalsContact CB-OD1 3.27Å; N94-N116 WeakPolarHBondContact CB-OD1 3.24Å; N94-N116 PolarHBondContact O-OD1 3.39Å
95	Q	97.1	Very high	94.3	Very high	49 Å²	49	26.9 Å²	26.9	23%	0.229	15%	0.146	C	C	.	.			trans	-127.6	29.2	-175.7	-59.1	-174.1	35.8	0	0	112.3	I74 H75 N116	I74-Q95 CarbonylContact O-C 3.41Å; I74-Q95 VanDerWaalsContact O-C 3.25Å; I74-Q95 WeakPolarHBondContact O-CA 3.39Å; I74-Q95 PolarHBondContact O-N 3.18Å; H75-Q95 PolarHBondContact CE1-OE1 3.01Å; H75-Q95 VanDerWaalsContact CE1-OE1 3.25Å; H75-Q95 WeakPolarHBondContact ND1-CB 3.39Å; Q95-N116 PolarHBondContact N-OD1 3.11Å
96	L	98.1	Very high	94.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.142	C	C	.	.			trans	-65.7	132.9	178.2	-59	177	0	0	0	110.7	I74 I77 I91 L113 N116 Q117 I118	I74-L96 HydrophobicContact CG2-CD2 4.17Å; I74-L96 PolarHBondContact O-N 3.03Å; I77-L96 HydrophobicContact CD1-CD1 4.05Å; I77-L96 HydrophobicContact CG1-CD1 3.93Å; I77-L96 HydrophobicContact CG1-CD2 3.88Å; I91-L96 HydrophobicContact CD1-CD1 4.12Å; I91-L96 HydrophobicContact CD1-CD2 4.36Å; I91-L96 HydrophobicContact CG1-CD1 4.11Å; I91-L96 HydrophobicContact CG2-CD1 3.74Å; L96-L113 HydrophobicContact CD1-CD2 3.51Å; L96-N116 HydrophobicContact CB-CB 4.33Å; L96-N116 VanDerWaalsContact CB-OD1 3.26Å; L96-N116 WeakPolarHBondContact CB-OD1 3.29Å; L96-N116 WeakPolarHBondContact CG-OD1 3.44Å; L96-N116 PolarHBondContact N-OD1 3.47Å; L96-Q117 CarbonylContact O-C 3.29Å; L96-Q117 VanDerWaalsContact O-CA 3.23Å; L96-Q117 WeakPolarHBondContact O-CA 3.31Å; L96-Q117 WeakPolarHBondContact O-CB 3.47Å; L96-Q117 PolarHBondContact O-N 3.08Å; L96-I118 HydrophobicContact CB-CD1 4.48Å; L96-I118 HydrophobicContact CB-CG1 4.26Å; L96-I118 PolarHBondContact O-N 3.14Å
97	T	97.4	Very high	94.6	Very high	76 Å²	76	28 Å²	28	47%	0.466	15%	0.153	S	C	.	.	S	Bend	trans	-107.2	-6.6	175.1	47.8	0	0	0	0	113.3	Q117	T97-Q117 HydrophobicContact CG2-CB 3.99Å
98	T	97.4	Very high	94.9	Very high	37 Å²	37	27 Å²	27	23%	0.227	15%	0.147	C	C	.	.			trans	-154	159.3	-177.1	177.7	0	0	0	0	109.6	N100 C122	T98-N100 HydrophobicContact CG2-CB 4.37Å; T98-N100 PolarHBondContact OG1-N 3.36Å; T98-N100 PolarHBondContact OG1-OD1 2.93Å; T98-N100 VanDerWaalsContact OG1-OD1 3.13Å; T98-C122 PolarHBondContact OG1-SG 3.04Å
99	M	97.6	Very high	95	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.156	C	C	.	.			trans	-96.5	-0.9	176.7	-61	171.7	59.9	0	0	113.1	L102 L111 L113 I118 I121 C122 A123 L124 L135	M99-L102 HydrophobicContact CB-CD1 4.09Å; M99-L102 HydrophobicContact CE-CD1 4.25Å; M99-L102 WeakPolarHBondContact O-CD1 3.49Å; M99-L102 VanDerWaalsContact O-CG 3.28Å; M99-L102 WeakPolarHBondContact O-CG 3.31Å; M99-L111 HydrophobicContact CE-CD2 4.3Å; M99-L113 HydrophobicContact CE-CD1 3.67Å; M99-L113 HydrophobicContact CG-CD1 4.04Å; M99-L113 HydrophobicContact SD-CD1 4.25Å; M99-I118 HydrophobicContact CG-CD1 3.93Å; M99-I118 HydrophobicContact CG-CG1 4.45Å; M99-I118 HydrophobicContact CG-CG2 3.91Å; M99-I118 HydrophobicContact SD-CG2 4.17Å; M99-I121 HydrophobicContact SD-CG2 4.37Å; M99-C122 WeakPolarHBondContact CB-O 3.43Å; M99-C122 PolarHBondContact N-SG 3.02Å; M99-A123 HydrophobicContact CB-CB 4.3Å; M99-A123 VanDerWaalsContact O-CB 3.25Å; M99-A123 WeakPolarHBondContact O-CB 3.22Å; M99-L124 HydrophobicContact CE-CD1 3.94Å; M99-L124 HydrophobicContact CE-CD2 3.49Å; M99-L124 VanDerWaalsContact CE-CD2 3.49Å; M99-L124 HydrophobicContact CE-CG 3.65Å; M99-L135 HydrophobicContact CE-CD2 4.37Å; M99-L135 HydrophobicContact SD-CD1 4.46Å; M99-L135 HydrophobicContact SD-CD2 3.9Å
100	N	97.2	Very high	94.9	Very high	84 Å²	84	29.5 Å²	29.5	45%	0.449	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	139.5	178.6	-64.4	13.6	0	0	0	111.5	T98 E103 C122	T98-N100 HydrophobicContact CG2-CB 4.37Å; T98-N100 PolarHBondContact OG1-N 3.36Å; T98-N100 PolarHBondContact OG1-OD1 2.93Å; T98-N100 VanDerWaalsContact OG1-OD1 3.13Å; N100-E103 WeakPolarHBondContact CA-OE1 3.45Å; N100-C122 PolarHBondContact OD1-SG 2.87Å
101	G	95.5	Very high	95.1	Very high	22 Å²	22	29.5 Å²	29.5	23%	0.227	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	111	-8.1	-171.2	0	0	0	0	0	114.2	E103	G101-E103 WeakPolarHBondContact CA-OE2 3.38Å; G101-E103 PolarHBondContact N-OE1 3.06Å; G101-E103 PolarHBondContact N-OE2 2.71Å
102	L	97.1	Very high	95.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.158	C	C	.	.			trans	-89.5	-11.6	178.2	-65.4	173.6	0	0	0	114.2	I77 L89 M99 T104 L105 L111 A123 L127	I77-L102 HydrophobicContact CD1-CD1 4.13Å; I77-L102 HydrophobicContact CD1-CD2 3.81Å; I77-L102 HydrophobicContact CD1-CG 3.78Å; I77-L102 HydrophobicContact CG2-CD2 4.34Å; L89-L102 HydrophobicContact CD2-CD2 3.58Å; M99-L102 HydrophobicContact CB-CD1 4.09Å; M99-L102 HydrophobicContact CE-CD1 4.25Å; M99-L102 WeakPolarHBondContact O-CD1 3.49Å; M99-L102 VanDerWaalsContact O-CG 3.28Å; M99-L102 WeakPolarHBondContact O-CG 3.31Å; L102-T104 PolarHBondContact O-N 2.61Å; L102-L105 HydrophobicContact CD2-CD1 3.68Å; L102-L105 WeakPolarHBondContact O-CB 3.38Å; L102-L105 PolarHBondContact O-N 3.38Å; L102-L111 HydrophobicContact CD1-CD1 4.34Å; L102-L111 HydrophobicContact CD1-CD2 3.66Å; L102-L111 HydrophobicContact CD2-CD1 4.27Å; L102-A123 HydrophobicContact CB-CB 4.39Å; L102-L127 HydrophobicContact CB-CD2 4.42Å; L102-L127 WeakPolarHBondContact O-CD1 3.32Å
103	E	95.7	Very high	95.3	Very high	68 Å²	68	29.2 Å²	29.2	32%	0.318	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-13.4	-160.6	-58.3	82.3	177.1	0	0	114.6	N100 G101 Y106 A123 N126	N100-E103 WeakPolarHBondContact CA-OE1 3.45Å; G101-E103 WeakPolarHBondContact CA-OE2 3.38Å; G101-E103 PolarHBondContact N-OE1 3.06Å; G101-E103 PolarHBondContact N-OE2 2.71Å; E103-Y106 WeakPolarHBondContact O-CE1 3.27Å; E103-A123 HydrophobicContact CG-CB 4.01Å; E103-A123 WeakPolarHBondContact OE1-CB 3.41Å; E103-N126 WeakPolarHBondContact O-CB 3.46Å; E103-N126 PolarHBondContact O-ND2 2.96Å
104	T	94.9	Very high	95.3	Very high	38 Å²	38	28.5 Å²	28.5	23%	0.233	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-3.7	-177.8	44	0	0	0	0	113.8	H81 L102 Y106	H81-T104 VanDerWaalsContact CA-OG1 3.3Å; H81-T104 WeakPolarHBondContact CA-OG1 3.26Å; H81-T104 WeakPolarHBondContact O-CB 3.49Å; H81-T104 PolarHBondContact O-OG1 2.99Å; L102-T104 PolarHBondContact O-N 2.61Å; T104-Y106 WeakPolarHBondContact O-CD2 3.23Å; T104-Y106 VanDerWaalsContact O-CE2 3.26Å; T104-Y106 WeakPolarHBondContact O-CE2 3.41Å; T104-Y106 PolarHBondContact O-N 2.91Å
105	L	95.2	Very high	95.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.157	C	C	.	.			trans	-86.2	58.1	-175.5	-55.2	-178.1	0	0	0	111.6	L83 L86 L89 L102 S107 L108	L83-L105 HydrophobicContact CB-CD2 4.25Å; L83-L105 WeakPolarHBondContact O-CD2 3.45Å; L86-L105 HydrophobicContact CD2-CD1 4.27Å; L89-L105 HydrophobicContact CD2-CD1 4.17Å; L102-L105 HydrophobicContact CD2-CD1 3.68Å; L102-L105 WeakPolarHBondContact O-CB 3.38Å; L102-L105 PolarHBondContact O-N 3.38Å; L105-S107 PolarHBondContact O-N 3.12Å; L105-S107 VanDerWaalsContact O-N 3.08Å; L105-L108 HydrophobicContact CB-CB 4.21Å; L105-L108 VanDerWaalsContact O-CB 3.24Å; L105-L108 WeakPolarHBondContact O-CB 3.17Å; L105-L108 PolarHBondContact O-N 2.96Å
106	Y	94.1	Very high	95.2	Very high	112 Å²	112	27.9 Å²	27.9	44%	0.439	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.2	-172	-45.9	-62.2	0	0	0	115	T84 E103 T104 N126 N129	T84-Y106 HydrophobicContact CG2-CD2 4.44Å; T84-Y106 HydrophobicContact CG2-CE2 4.35Å; E103-Y106 WeakPolarHBondContact O-CE1 3.27Å; T104-Y106 WeakPolarHBondContact O-CD2 3.23Å; T104-Y106 VanDerWaalsContact O-CE2 3.26Å; T104-Y106 WeakPolarHBondContact O-CE2 3.41Å; T104-Y106 PolarHBondContact O-N 2.91Å; Y106-N126 HydrophobicContact CD1-CB 3.83Å; Y106-N126 HydrophobicContact CE1-CB 3.8Å; Y106-N129 PolarHBondContact O-ND2 3.44Å
107	S	93.4	Very high	95.2	Very high	33 Å²	33	30.1 Å²	30.1	23%	0.231	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-4.4	179.6	-54.3	0	0	0	0	113.8	T84 L86 L105	T84-S107 VanDerWaalsContact O-CB 3.29Å; T84-S107 WeakPolarHBondContact O-CB 3.46Å; T84-S107 PolarHBondContact O-OG 3.38Å; L86-S107 CarbonylContact O-C 3.09Å; L86-S107 WeakPolarHBondContact O-CB 3.21Å; L105-S107 PolarHBondContact O-N 3.12Å; L105-S107 VanDerWaalsContact O-N 3.08Å
108	L	94.6	Very high	95.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.137	C	C	.	.			trans	-69.3	132.8	-170.3	-155.3	76.5	0	0	0	112	L86 L89 L105 L111 L127 N129 L130	L86-L108 HydrophobicContact CB-CD1 4.31Å; L86-L108 HydrophobicContact CD2-CD1 4.05Å; L86-L108 HydrophobicContact CG-CD1 4Å; L86-L108 VanDerWaalsContact O-CA 3.32Å; L86-L108 WeakPolarHBondContact O-CA 3.48Å; L86-L108 PolarHBondContact O-N 2.78Å; L86-L108 VanDerWaalsContact O-N 3.15Å; L89-L108 HydrophobicContact CB-CD1 3.81Å; L89-L108 HydrophobicContact CB-CD2 4.31Å; L105-L108 HydrophobicContact CB-CB 4.21Å; L105-L108 VanDerWaalsContact O-CB 3.24Å; L105-L108 WeakPolarHBondContact O-CB 3.17Å; L105-L108 PolarHBondContact O-N 2.96Å; L108-L111 HydrophobicContact CD2-CB 3.89Å; L108-L111 HydrophobicContact CD2-CD1 4.06Å; L108-L111 HydrophobicContact CD2-CD2 4.24Å; L108-L111 HydrophobicContact CD2-CG 4.28Å; L108-L127 HydrophobicContact CB-CD2 4.39Å; L108-L127 HydrophobicContact CD2-CD2 3.91Å; L108-N129 CarbonylContact O-C 3.59Å; L108-N129 VanDerWaalsContact O-C 3.29Å; L108-L130 HydrophobicContact CD2-CD1 4.3Å; L108-L130 HydrophobicContact CG-CD1 4.37Å; L108-L130 PolarHBondContact O-N 2.91Å
109	R	92.9	Very high	95.2	Very high	60 Å²	60	31.2 Å²	31.2	23%	0.226	15%	0.154	C	C	.	.			trans	-121.7	-33.1	-178.2	-62.6	-172.4	-169.1	168.3	-3	113.3	V87 N129 N131 V132 E318	V87-R109 HydrophobicContact CG1-CB 4.03Å; V87-R109 HydrophobicContact CG1-CG 3.95Å; V87-R109 PolarHBondContact O-N 2.9Å; R109-N129 HydrophobicContact CG-CB 4.45Å; R109-N131 WeakPolarHBondContact O-CA 3.32Å; R109-N131 PolarHBondContact O-N 2.81Å; R109-V132 PolarHBondContact O-N 2.77Å; R109-E318 IonicContact CZ-OE1 3.85Å; R109-E318 IonicContact CZ-OE2 3.1Å; R109-E318 IonicContact NH1-OE1 3.6Å; R109-E318 PolarHBondContact NH1-OE1 2.99Å; R109-E318 IonicContact NH1-OE2 3.6Å; R109-E318 PolarHBondContact NH1-OE2 3.31Å; R109-E318 VanDerWaalsContact NH2-CD 3.3Å; R109-E318 IonicContact NH2-OE1 2.99Å; R109-E318 PolarHBondContact NH2-OE1 2.88Å; R109-E318 IonicContact NH2-OE2 2.78Å; R109-E318 PolarHBondContact NH2-OE2 3.15Å
110	I	91.4	Very high	95.2	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	118.9	179.1	-56.6	163.2	0	0	0	107.5	V87 Y88 L89 L112 V132 F314	V87-I110 PolarHBondContact O-N 3.43Å; V87-I110 VanDerWaalsContact O-N 3.13Å; Y88-I110 HydrophobicContact CD2-CB 3.7Å; Y88-I110 HydrophobicContact CD2-CD1 3.89Å; Y88-I110 HydrophobicContact CD2-CG1 4.42Å; Y88-I110 HydrophobicContact CD2-CG2 3.54Å; Y88-I110 HydrophobicContact CE2-CB 4.38Å; Y88-I110 HydrophobicContact CE2-CG2 3.7Å; L89-I110 PolarHBondContact N-O 3.25Å; I110-L112 HydrophobicContact CG2-CD2 3.99Å; I110-L112 HydrophobicContact CG2-CG 4.1Å; I110-V132 HydrophobicContact CG1-CB 4.43Å; I110-V132 HydrophobicContact CG1-CG2 4.4Å; I110-V132 HydrophobicContact CG2-CB 4.28Å; I110-F314 HydrophobicContact CD1-CD2 3.91Å; I110-F314 HydrophobicContact CD1-CE2 3.5Å; I110-F314 HydrophobicContact CD1-CZ 4.43Å; I110-F314 HydrophobicContact CG1-CE2 3.8Å; I110-F314 HydrophobicContact CG1-CZ 4.27Å
111	L	95.8	Very high	95.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	111.8	177.7	176.7	55.7	0	0	0	109.1	L89 M99 L102 L108 L113 L124 L127 L130 V132 L133 D134	L89-L111 HydrophobicContact CB-CD1 4.24Å; L89-L111 HydrophobicContact CD2-CD1 4.08Å; L89-L111 HydrophobicContact CG-CD1 4.25Å; L89-L111 WeakPolarHBondContact O-CA 3.26Å; M99-L111 HydrophobicContact CE-CD2 4.3Å; L102-L111 HydrophobicContact CD1-CD1 4.34Å; L102-L111 HydrophobicContact CD1-CD2 3.66Å; L102-L111 HydrophobicContact CD2-CD1 4.27Å; L108-L111 HydrophobicContact CD2-CB 3.89Å; L108-L111 HydrophobicContact CD2-CD1 4.06Å; L108-L111 HydrophobicContact CD2-CD2 4.24Å; L108-L111 HydrophobicContact CD2-CG 4.28Å; L111-L113 HydrophobicContact CD1-CD1 3.83Å; L111-L113 HydrophobicContact CD1-CD2 4.42Å; L111-L113 HydrophobicContact CD1-CG 3.81Å; L111-L113 HydrophobicContact CD2-CD1 3.75Å; L111-L113 HydrophobicContact CG-CD1 3.67Å; L111-L113 HydrophobicContact CG-CG 4.02Å; L111-L124 HydrophobicContact CD2-CD2 3.86Å; L111-L127 HydrophobicContact CD2-CD2 4.43Å; L111-L130 HydrophobicContact CB-CD1 3.74Å; L111-L130 HydrophobicContact CB-CD2 4.45Å; L111-V132 PolarHBondContact N-O 3.06Å; L111-L133 HydrophobicContact CB-CD1 4.27Å; L111-L133 HydrophobicContact CD2-CD1 3.91Å; L111-L133 HydrophobicContact CG-CD1 4.07Å; L111-D134 PolarHBondContact O-N 2.99Å
112	L	94.5	Very high	95.4	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.026	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	115.8	176.7	-48.3	-177.6	0	0	0	109.3	Y88 L89 N90 I91 S92 I110 V132 D134 L286	Y88-L112 HydrophobicContact CE2-CD1 4.12Å; L89-L112 PolarHBondContact O-N 3.39Å; N90-L112 HydrophobicContact CB-CB 4.21Å; N90-L112 HydrophobicContact CB-CD1 4.27Å; N90-L112 WeakPolarHBondContact OD1-CB 3.36Å; I91-L112 CarbonylContact C-O 3.48Å; I91-L112 PolarHBondContact N-O 3.16Å; S92-L112 PolarHBondContact N-O 3.34Å; S92-L112 WeakPolarHBondContact OG-CB 3.41Å; S92-L112 PolarHBondContact OG-O 3.21Å; I110-L112 HydrophobicContact CG2-CD2 3.99Å; I110-L112 HydrophobicContact CG2-CG 4.1Å; L112-V132 HydrophobicContact CD2-CG1 4.43Å; L112-D134 HydrophobicContact CD2-CB 3.63Å; L112-L286 HydrophobicContact CD1-CD2 4.17Å; L112-L286 HydrophobicContact CD2-CD1 4.48Å; L112-L286 HydrophobicContact CD2-CD2 3.89Å
113	L	96.3	Very high	95.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.156	C	C	.	.			trans	-126.2	22	-176.8	-74.5	162.8	0	0	0	111.3	I77 I91 L96 M99 L111 N116 I118 D134 L135 N138	I77-L113 HydrophobicContact CD1-CD2 4.26Å; I91-L113 HydrophobicContact CG2-CD2 3.45Å; I91-L113 VanDerWaalsContact CG2-CD2 3.45Å; I91-L113 HydrophobicContact CG2-CG 4.41Å; L96-L113 HydrophobicContact CD1-CD2 3.51Å; M99-L113 HydrophobicContact CE-CD1 3.67Å; M99-L113 HydrophobicContact CG-CD1 4.04Å; M99-L113 HydrophobicContact SD-CD1 4.25Å; L111-L113 HydrophobicContact CD1-CD1 3.83Å; L111-L113 HydrophobicContact CD1-CD2 4.42Å; L111-L113 HydrophobicContact CD1-CG 3.81Å; L111-L113 HydrophobicContact CD2-CD1 3.75Å; L111-L113 HydrophobicContact CG-CD1 3.67Å; L111-L113 HydrophobicContact CG-CG 4.02Å; L113-N116 PolarHBondContact O-ND2 3.42Å; L113-N116 VanDerWaalsContact O-ND2 3.16Å; L113-I118 HydrophobicContact CB-CD1 3.98Å; L113-I118 HydrophobicContact CD1-CD1 4.28Å; L113-I118 HydrophobicContact CD2-CD1 4.03Å; L113-I118 HydrophobicContact CG-CD1 4.35Å; L113-D134 WeakPolarHBondContact CA-O 3.44Å; L113-D134 WeakPolarHBondContact CB-O 3.4Å; L113-D134 PolarHBondContact N-O 2.96Å; L113-L135 HydrophobicContact CB-CD2 3.76Å; L113-L135 HydrophobicContact CD1-CD2 3.78Å; L113-L135 HydrophobicContact CG-CD2 4.43Å; L113-N138 PolarHBondContact O-ND2 3.41Å
114	G	91.1	Very high	95.4	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.01	14%	0.141	C	C	.	.			trans	-60.2	159.3	-177.1	0	0	0	0	0	113.2	S92 D93 N116 N136	S92-G114 CarbonylContact C-O 3.6Å; S92-G114 WeakPolarHBondContact CA-O 3.38Å; S92-G114 WeakPolarHBondContact CB-O 3.48Å; S92-G114 PolarHBondContact OG-N 3.24Å; D93-G114 PolarHBondContact N-O 3.44Å; G114-N116 PolarHBondContact O-N 2.92Å; G114-N116 PolarHBondContact O-ND2 3.34Å; G114-N136 CarbonylContact C-O 3.59Å; G114-N136 VanDerWaalsContact CA-O 3.31Å; G114-N136 WeakPolarHBondContact CA-O 3.49Å; G114-N136 WeakPolarHBondContact CA-OD1 3.38Å
115	N	92.7	Very high	95.4	Very high	38 Å²	38	32.1 Å²	32.1	20%	0.203	15%	0.154	C	C	.	.	S	Bend	trans	49.3	57.7	176.3	-72.2	-44.7	0	0	0	113	D93 N94 N136 H137	D93-N115 WeakPolarHBondContact CA-O 3.33Å; D93-N115 HydrophobicContact CB-CB 4.47Å; D93-N115 PolarHBondContact N-O 2.97Å; D93-N115 WeakPolarHBondContact OD1-CB 3.37Å; D93-N115 PolarHBondContact OD1-ND2 2.74Å; N94-N115 PolarHBondContact N-O 2.88Å; N115-N136 PolarHBondContact N-O 3.09Å; N115-H137 WeakPolarHBondContact CA-O 3.45Å; N115-H137 HydrophobicContact CB-CB 4.41Å; N115-H137 WeakPolarHBondContact OD1-CB 3.29Å
116	N	96.1	Very high	95.4	Very high	10 Å²	10	34.7 Å²	34.7	5%	0.053	17%	0.168	C	C	.	.	S	Bend	trans	-132	-165.8	179.5	-89.3	-78.2	0	0	0	110.2	I91 N94 Q95 L96 L113 G114 I118 H137 N138	I91-N116 PolarHBondContact O-ND2 2.98Å; N94-N116 WeakPolarHBondContact CA-OD1 3.35Å; N94-N116 VanDerWaalsContact CB-OD1 3.27Å; N94-N116 WeakPolarHBondContact CB-OD1 3.24Å; N94-N116 PolarHBondContact O-OD1 3.39Å; Q95-N116 PolarHBondContact N-OD1 3.11Å; L96-N116 HydrophobicContact CB-CB 4.33Å; L96-N116 VanDerWaalsContact CB-OD1 3.26Å; L96-N116 WeakPolarHBondContact CB-OD1 3.29Å; L96-N116 WeakPolarHBondContact CG-OD1 3.44Å; L96-N116 PolarHBondContact N-OD1 3.47Å; L113-N116 PolarHBondContact O-ND2 3.42Å; L113-N116 VanDerWaalsContact O-ND2 3.16Å; G114-N116 PolarHBondContact O-N 2.92Å; G114-N116 PolarHBondContact O-ND2 3.34Å; N116-I118 HydrophobicContact CB-CD1 4.2Å; N116-I118 HydrophobicContact CB-CG1 4.27Å; N116-H137 PolarHBondContact N-O 3.24Å; N116-H137 VanDerWaalsContact N-O 3.15Å; N116-N138 WeakPolarHBondContact CA-OD1 3.32Å; N116-N138 WeakPolarHBondContact CB-OD1 3.36Å; N116-N138 PolarHBondContact O-OD1 3.32Å
117	Q	97.8	Very high	95.5	Very high	47 Å²	47	29.4 Å²	29.4	22%	0.22	15%	0.147	C	C	.	.			trans	-122.6	25.7	-177	-57.8	178.6	47	0	0	112	L96 T97 K119 N138	L96-Q117 CarbonylContact O-C 3.29Å; L96-Q117 VanDerWaalsContact O-CA 3.23Å; L96-Q117 WeakPolarHBondContact O-CA 3.31Å; L96-Q117 WeakPolarHBondContact O-CB 3.47Å; L96-Q117 PolarHBondContact O-N 3.08Å; T97-Q117 HydrophobicContact CG2-CB 3.99Å; Q117-K119 PolarHBondContact O-N 3.45Å; Q117-N138 PolarHBondContact N-OD1 2.97Å
118	I	98.6	Very high	95.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.16	C	C	.	.			trans	-71.3	126.3	-176.2	-59.5	162.3	0	0	0	109.3	L96 M99 L113 N116 Q120 L135 N138 Q139 I140	L96-I118 HydrophobicContact CB-CD1 4.48Å; L96-I118 HydrophobicContact CB-CG1 4.26Å; L96-I118 PolarHBondContact O-N 3.14Å; M99-I118 HydrophobicContact CG-CD1 3.93Å; M99-I118 HydrophobicContact CG-CG1 4.45Å; M99-I118 HydrophobicContact CG-CG2 3.91Å; M99-I118 HydrophobicContact SD-CG2 4.17Å; L113-I118 HydrophobicContact CB-CD1 3.98Å; L113-I118 HydrophobicContact CD1-CD1 4.28Å; L113-I118 HydrophobicContact CD2-CD1 4.03Å; L113-I118 HydrophobicContact CG-CD1 4.35Å; N116-I118 HydrophobicContact CB-CD1 4.2Å; N116-I118 HydrophobicContact CB-CG1 4.27Å; I118-Q120 WeakPolarHBondContact CG2-O 3.41Å; I118-L135 HydrophobicContact CD1-CD2 4.04Å; I118-N138 HydrophobicContact CB-CB 4.49Å; I118-N138 VanDerWaalsContact CB-OD1 3.24Å; I118-N138 WeakPolarHBondContact CB-OD1 3.34Å; I118-N138 WeakPolarHBondContact CG1-OD1 3.38Å; I118-N138 PolarHBondContact N-OD1 3.48Å; I118-Q139 CarbonylContact O-C 3.58Å; I118-Q139 WeakPolarHBondContact O-CA 3.25Å; I118-Q139 PolarHBondContact O-N 3.34Å; I118-I140 PolarHBondContact O-N 3.3Å
119	K	97.8	Very high	95.6	Very high	136 Å²	136	36.4 Å²	36.4	59%	0.591	17%	0.173	S	C	*	.			trans	-99.1	-19.6	-177.8	-69.3	173.5	180	177.3	0	114.2	Q117 Q139	Q117-K119 PolarHBondContact O-N 3.45Å; K119-Q139 HydrophobicContact CG-CB 3.76Å
120	Q	97.7	Very high	95.7	Very high	105 Å²	105	33.6 Å²	33.6	49%	0.491	16%	0.163	S	C	.	.	S	Bend	trans	-145.4	141.1	-170.8	-163.8	179.5	12.4	0	0	109.7	I118 C122 E144	I118-Q120 WeakPolarHBondContact CG2-O 3.41Å; Q120-C122 PolarHBondContact O-N 3.04Å; Q120-E144 WeakPolarHBondContact CG-OE1 3.28Å; Q120-E144 PolarHBondContact NE2-OE1 3.44Å
121	I	98.1	Very high	95.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.169	C	C	.	.			trans	-80	112.8	172.5	-53.9	176.1	0	0	0	107.7	M99 L124 L135 I140 E144 N145 L146 L157	M99-I121 HydrophobicContact SD-CG2 4.37Å; I121-L124 HydrophobicContact CG2-CD1 3.55Å; I121-L124 HydrophobicContact CG2-CG 4.35Å; I121-L135 HydrophobicContact CD1-CD1 4.28Å; I121-L135 HydrophobicContact CG1-CD1 4.08Å; I121-I140 HydrophobicContact CD1-CG2 4.44Å; I121-I140 HydrophobicContact CG1-CD1 3.99Å; I121-I140 HydrophobicContact CG1-CG2 4.25Å; I121-E144 WeakPolarHBondContact CG2-O 3.1Å; I121-N145 PolarHBondContact O-ND2 2.64Å; I121-L146 HydrophobicContact CD1-CD1 4.44Å; I121-L146 HydrophobicContact CD1-CD2 4.33Å; I121-L146 HydrophobicContact CD1-CG 4.49Å; I121-L146 HydrophobicContact CG2-CD2 3.75Å; I121-L157 HydrophobicContact CD1-CD2 4.33Å
122	C	96.9	Very high	95.6	Very high	21 Å²	21	34.9 Å²	34.9	14%	0.142	17%	0.169	C	C	.	.			trans	-140.5	177.4	-177.6	65.5	0	0	0	0	111.6	T98 M99 N100 Q120 L124	T98-C122 PolarHBondContact OG1-SG 3.04Å; M99-C122 WeakPolarHBondContact CB-O 3.43Å; M99-C122 PolarHBondContact N-SG 3.02Å; N100-C122 PolarHBondContact OD1-SG 2.87Å; Q120-C122 PolarHBondContact O-N 3.04Å; C122-L124 PolarHBondContact O-N 2.77Å
123	A	96.3	Very high	95.7	Very high	10 Å²	10	34.6 Å²	34.6	8%	0.083	17%	0.168	C	C	.	.	S	Bend	trans	60.6	-4	177	0	0	0	0	0	117.9	M99 L102 E103 N125	M99-A123 HydrophobicContact CB-CB 4.3Å; M99-A123 VanDerWaalsContact O-CB 3.25Å; M99-A123 WeakPolarHBondContact O-CB 3.22Å; L102-A123 HydrophobicContact CB-CB 4.39Å; E103-A123 HydrophobicContact CG-CB 4.01Å; E103-A123 WeakPolarHBondContact OE1-CB 3.41Å; A123-N125 VanDerWaalsContact C-N 3.25Å; A123-N125 PolarHBondContact O-N 2.84Å
124	L	97.4	Very high	95.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-73.2	-7.6	-178	-64.9	-177.2	0	0	0	115.1	M99 L111 I121 C122 N126 L127 L130 L133 L146 H148 L149	M99-L124 HydrophobicContact CE-CD1 3.94Å; M99-L124 HydrophobicContact CE-CD2 3.49Å; M99-L124 VanDerWaalsContact CE-CD2 3.49Å; M99-L124 HydrophobicContact CE-CG 3.65Å; L111-L124 HydrophobicContact CD2-CD2 3.86Å; I121-L124 HydrophobicContact CG2-CD1 3.55Å; I121-L124 HydrophobicContact CG2-CG 4.35Å; C122-L124 PolarHBondContact O-N 2.77Å; L124-N126 PolarHBondContact O-N 2.96Å; L124-L127 HydrophobicContact CD2-CD2 3.9Å; L124-L127 PolarHBondContact O-N 3.06Å; L124-L130 HydrophobicContact CD2-CD2 4.38Å; L124-L133 HydrophobicContact CD1-CD2 3.68Å; L124-L146 HydrophobicContact CD1-CD2 3.73Å; L124-H148 PolarHBondContact O-NE2 3.11Å; L124-L149 HydrophobicContact CD1-CD1 3.94Å
125	N	94	Very high	96	Very high	94 Å²	94	34.8 Å²	34.8	50%	0.503	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-48.7	-35.6	-166.5	-63.7	-2	0	0	0	115.3	A123 Y128 H148	A123-N125 VanDerWaalsContact C-N 3.25Å; A123-N125 PolarHBondContact O-N 2.84Å; N125-Y128 VanDerWaalsContact O-CZ 3.24Å; N125-Y128 PolarHBondContact O-OH 3.36Å; N125-H148 WeakPolarHBondContact CA-NE2 3.35Å; N125-H148 PolarHBondContact O-CD2 3.33Å; N125-H148 VanDerWaalsContact O-CD2 3.25Å; N125-H148 PolarHBondContact O-NE2 3.41Å
126	N	95.3	Very high	96	Very high	55 Å²	55	33.5 Å²	33.5	29%	0.294	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-100	-1.8	-175.7	-61.3	-27.3	0	0	0	114	E103 Y106 L124 Y128	E103-N126 WeakPolarHBondContact O-CB 3.46Å; E103-N126 PolarHBondContact O-ND2 2.96Å; Y106-N126 HydrophobicContact CD1-CB 3.83Å; Y106-N126 HydrophobicContact CE1-CB 3.8Å; L124-N126 PolarHBondContact O-N 2.96Å; N126-Y128 HydrophobicContact CB-CE2 4.5Å; N126-Y128 WeakPolarHBondContact O-CD2 3.49Å; N126-Y128 PolarHBondContact O-N 3.42Å
127	L	96.8	Very high	95.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.174	C	C	.	.			trans	-88.9	48.3	-171.8	-72.8	66	0	0	0	111.3	L102 L108 L111 L124 N129 L130 L149	L102-L127 HydrophobicContact CB-CD2 4.42Å; L102-L127 WeakPolarHBondContact O-CD1 3.32Å; L108-L127 HydrophobicContact CB-CD2 4.39Å; L108-L127 HydrophobicContact CD2-CD2 3.91Å; L111-L127 HydrophobicContact CD2-CD2 4.43Å; L124-L127 HydrophobicContact CD2-CD2 3.9Å; L124-L127 PolarHBondContact O-N 3.06Å; L127-N129 PolarHBondContact O-N 2.91Å; L127-L130 HydrophobicContact CB-CB 4.46Å; L127-L130 WeakPolarHBondContact O-CB 3.23Å; L127-L130 PolarHBondContact O-N 3.17Å; L127-L149 VanDerWaalsContact O-CD2 3.23Å; L127-L149 WeakPolarHBondContact O-CD2 3.39Å
128	Y	95.2	Very high	95.9	Very high	127 Å²	127	34.2 Å²	34.2	50%	0.498	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-15.1	-177.8	-51.9	-78.2	0	0	0	114.5	N125 N126 H148	N125-Y128 VanDerWaalsContact O-CZ 3.24Å; N125-Y128 PolarHBondContact O-OH 3.36Å; N126-Y128 HydrophobicContact CB-CE2 4.5Å; N126-Y128 WeakPolarHBondContact O-CD2 3.49Å; N126-Y128 PolarHBondContact O-N 3.42Å; Y128-H148 HydrophobicContact CD1-CB 4.07Å; Y128-H148 AromaticContact CD1-CD2 3.89Å; Y128-H148 HydrophobicContact CE1-CB 3.91Å; Y128-H148 AromaticContact CE1-CD2 3.9Å
129	N	94.1	Very high	95.9	Very high	54 Å²	54	36.8 Å²	36.8	29%	0.289	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-3	177.1	-68.7	-53.6	0	0	0	114.4	Y106 L108 R109 L127 N131 K151	Y106-N129 PolarHBondContact O-ND2 3.44Å; L108-N129 CarbonylContact O-C 3.59Å; L108-N129 VanDerWaalsContact O-C 3.29Å; R109-N129 HydrophobicContact CG-CB 4.45Å; L127-N129 PolarHBondContact O-N 2.91Å; N129-N131 PolarHBondContact O-N 2.83Å; N129-N131 PolarHBondContact O-OD1 2.86Å; N129-K151 PolarHBondContact OD1-NZ 3.26Å
130	L	95.9	Very high	95.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.149	C	C	.	.			trans	-64.1	124.7	-175.3	-157.2	71.8	0	0	0	111.7	L108 L111 L124 L127 L133 L149 K151 L152	L108-L130 HydrophobicContact CD2-CD1 4.3Å; L108-L130 HydrophobicContact CG-CD1 4.37Å; L108-L130 PolarHBondContact O-N 2.91Å; L111-L130 HydrophobicContact CB-CD1 3.74Å; L111-L130 HydrophobicContact CB-CD2 4.45Å; L124-L130 HydrophobicContact CD2-CD2 4.38Å; L127-L130 HydrophobicContact CB-CB 4.46Å; L127-L130 WeakPolarHBondContact O-CB 3.23Å; L127-L130 PolarHBondContact O-N 3.17Å; L130-L133 HydrophobicContact CD2-CB 3.9Å; L130-L133 HydrophobicContact CD2-CD1 4.2Å; L130-L133 HydrophobicContact CD2-CD2 4.35Å; L130-L133 HydrophobicContact CD2-CG 4.39Å; L130-L149 HydrophobicContact CB-CD2 4.22Å; L130-L149 HydrophobicContact CD2-CD1 4.43Å; L130-K151 CarbonylContact O-C 3.22Å; L130-K151 VanDerWaalsContact O-C 3.26Å; L130-L152 HydrophobicContact CD2-CD1 4.21Å; L130-L152 HydrophobicContact CG-CD1 4.21Å; L130-L152 VanDerWaalsContact O-CA 3.31Å; L130-L152 WeakPolarHBondContact O-CA 3.35Å; L130-L152 PolarHBondContact O-N 2.67Å; L130-L152 VanDerWaalsContact O-N 3.07Å
131	N	92.9	Very high	95.9	Very high	28 Å²	28	31 Å²	31	15%	0.15	15%	0.152	C	C	.	.			trans	-106.1	-37.7	179.6	-66	121.6	0	0	0	112	R109 N129 K151 Y153 C154 F314	R109-N131 WeakPolarHBondContact O-CA 3.32Å; R109-N131 PolarHBondContact O-N 2.81Å; N129-N131 PolarHBondContact O-N 2.83Å; N129-N131 PolarHBondContact O-OD1 2.86Å; N131-K151 PolarHBondContact ND2-O 2.9Å; N131-Y153 HydrophobicContact CB-CD1 3.94Å; N131-Y153 HydrophobicContact CB-CE1 3.84Å; N131-Y153 WeakPolarHBondContact O-CD1 3.19Å; N131-Y153 WeakPolarHBondContact O-CE1 3.45Å; N131-Y153 PolarHBondContact O-N 2.8Å; N131-C154 PolarHBondContact O-N 3.28Å; N131-F314 HydrophobicContact CB-CE1 3.67Å; N131-F314 HydrophobicContact CB-CZ 4.07Å
132	V	93.1	Very high	95.9	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.6	177.8	-175.5	0	0	0	0	109.7	R109 I110 L111 L112 Y153 C154 L286 F314	R109-V132 PolarHBondContact O-N 2.77Å; I110-V132 HydrophobicContact CG1-CB 4.43Å; I110-V132 HydrophobicContact CG1-CG2 4.4Å; I110-V132 HydrophobicContact CG2-CB 4.28Å; L111-V132 PolarHBondContact N-O 3.06Å; L112-V132 HydrophobicContact CD2-CG1 4.43Å; V132-Y153 HydrophobicContact CG2-CE1 3.69Å; V132-C154 WeakPolarHBondContact CA-O 3.46Å; V132-C154 HydrophobicContact CG1-CB 4.28Å; V132-C154 HydrophobicContact CG2-CB 4.27Å; V132-L286 HydrophobicContact CG1-CD1 4.25Å; V132-F314 HydrophobicContact CG2-CE2 4.39Å; V132-F314 HydrophobicContact CG2-CZ 3.7Å
133	L	96.7	Very high	95.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	115.1	171.2	178.7	55.5	0	0	0	108.7	L111 L124 L130 L135 L146 L152 C154 L155 N156	L111-L133 HydrophobicContact CB-CD1 4.27Å; L111-L133 HydrophobicContact CD2-CD1 3.91Å; L111-L133 HydrophobicContact CG-CD1 4.07Å; L124-L133 HydrophobicContact CD1-CD2 3.68Å; L130-L133 HydrophobicContact CD2-CB 3.9Å; L130-L133 HydrophobicContact CD2-CD1 4.2Å; L130-L133 HydrophobicContact CD2-CD2 4.35Å; L130-L133 HydrophobicContact CD2-CG 4.39Å; L133-L135 HydrophobicContact CD1-CD1 3.88Å; L133-L135 HydrophobicContact CD1-CG 3.87Å; L133-L135 HydrophobicContact CD2-CD1 3.76Å; L133-L135 HydrophobicContact CG-CD1 3.77Å; L133-L135 HydrophobicContact CG-CG 4.07Å; L133-L146 HydrophobicContact CD2-CD2 3.92Å; L133-L152 HydrophobicContact CB-CD1 3.78Å; L133-C154 PolarHBondContact N-O 2.79Å; L133-C154 VanDerWaalsContact N-O 3.11Å; L133-L155 HydrophobicContact CB-CD1 4.06Å; L133-L155 HydrophobicContact CD2-CD1 3.92Å; L133-L155 HydrophobicContact CG-CD1 4.03Å; L133-N156 PolarHBondContact O-N 3.27Å
134	D	94.7	Very high	95.9	Very high	5 Å²	5	37 Å²	37	3%	0.027	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	120.4	169.4	-160.9	-20.8	0	0	0	110.8	L111 L112 L113 N136 N156 L286	L111-D134 PolarHBondContact O-N 2.99Å; L112-D134 HydrophobicContact CD2-CB 3.63Å; L113-D134 WeakPolarHBondContact CA-O 3.44Å; L113-D134 WeakPolarHBondContact CB-O 3.4Å; L113-D134 PolarHBondContact N-O 2.96Å; D134-N136 WeakPolarHBondContact OD1-CB 3.44Å; D134-N136 PolarHBondContact OD1-N 3.3Å; D134-N156 HydrophobicContact CB-CB 4.22Å; D134-N156 VanDerWaalsContact CG-ND2 3.25Å; D134-N156 WeakPolarHBondContact OD1-CB 3.26Å; D134-N156 PolarHBondContact OD1-ND2 3.36Å; D134-N156 PolarHBondContact OD2-ND2 3.05Å; D134-L286 HydrophobicContact CB-CD1 4.27Å; D134-L286 WeakPolarHBondContact OD2-CB 3.35Å; D134-L286 WeakPolarHBondContact OD2-CD1 3.46Å
135	L	97.1	Very high	95.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.196	C	C	.	.			trans	-129.3	25.9	178.2	-74.5	164.8	0	0	0	110.2	M99 L113 I118 I121 L133 N138 I140 N156 L157 N160	M99-L135 HydrophobicContact CE-CD2 4.37Å; M99-L135 HydrophobicContact SD-CD1 4.46Å; M99-L135 HydrophobicContact SD-CD2 3.9Å; L113-L135 HydrophobicContact CB-CD2 3.76Å; L113-L135 HydrophobicContact CD1-CD2 3.78Å; L113-L135 HydrophobicContact CG-CD2 4.43Å; I118-L135 HydrophobicContact CD1-CD2 4.04Å; I121-L135 HydrophobicContact CD1-CD1 4.28Å; I121-L135 HydrophobicContact CG1-CD1 4.08Å; L133-L135 HydrophobicContact CD1-CD1 3.88Å; L133-L135 HydrophobicContact CD1-CG 3.87Å; L133-L135 HydrophobicContact CD2-CD1 3.76Å; L133-L135 HydrophobicContact CG-CD1 3.77Å; L133-L135 HydrophobicContact CG-CG 4.07Å; L135-N138 WeakPolarHBondContact O-CB 3.34Å; L135-N138 PolarHBondContact O-ND2 3.38Å; L135-I140 HydrophobicContact CB-CD1 3.82Å; L135-I140 HydrophobicContact CD1-CD1 3.92Å; L135-I140 HydrophobicContact CD2-CD1 4.23Å; L135-I140 HydrophobicContact CG-CD1 4.23Å; L135-N156 PolarHBondContact N-O 3.26Å; L135-L157 HydrophobicContact CB-CD2 3.9Å; L135-L157 HydrophobicContact CD1-CD2 4.13Å; L135-N160 PolarHBondContact O-ND2 2.73Å
136	N	92.8	Very high	96	Very high	10 Å²	10	35.8 Å²	35.8	5%	0.053	17%	0.172	C	C	.	.			trans	-62.6	159.9	179.1	77.9	-6.7	0	0	0	112.7	G114 N115 D134 N138 S158	G114-N136 CarbonylContact C-O 3.59Å; G114-N136 VanDerWaalsContact CA-O 3.31Å; G114-N136 WeakPolarHBondContact CA-O 3.49Å; G114-N136 WeakPolarHBondContact CA-OD1 3.38Å; N115-N136 PolarHBondContact N-O 3.09Å; D134-N136 WeakPolarHBondContact OD1-CB 3.44Å; D134-N136 PolarHBondContact OD1-N 3.3Å; N136-N138 VanDerWaalsContact C-N 3.34Å; N136-N138 PolarHBondContact O-N 3.37Å; N136-N138 PolarHBondContact O-ND2 3.44Å; N136-S158 CarbonylContact C-O 3.46Å; N136-S158 WeakPolarHBondContact CA-O 3.49Å; N136-S158 WeakPolarHBondContact CB-O 3.45Å; N136-S158 WeakPolarHBondContact CB-OG 3.49Å
137	H	95	Very high	96	Very high	65 Å²	65	38.4 Å²	38.4	30%	0.301	19%	0.185	S	C	.	.	S	Bend	trans	49.6	53.1	177.5	-64.2	98.5	0	0	0	112.8	N115 N116 S158 F159	N115-H137 WeakPolarHBondContact CA-O 3.45Å; N115-H137 HydrophobicContact CB-CB 4.41Å; N115-H137 WeakPolarHBondContact OD1-CB 3.29Å; N116-H137 PolarHBondContact N-O 3.24Å; N116-H137 VanDerWaalsContact N-O 3.15Å; H137-S158 PolarHBondContact N-O 3.06Å; H137-F159 VanDerWaalsContact CA-O 3.24Å; H137-F159 WeakPolarHBondContact CA-O 3.42Å; H137-F159 HydrophobicContact CB-CB 4.3Å; H137-F159 VanDerWaalsContact CD2-CB 3.43Å; H137-F159 WeakPolarHBondContact CD2-CB 3.46Å; H137-F159 AromaticContact CD2-CD1 3.82Å; H137-F159 AromaticContact CD2-CG 3.52Å; H137-F159 AromaticContact CE1-CD2 3.4Å; H137-F159 VanDerWaalsContact CE1-CD2 3.4Å; H137-F159 WeakPolarHBondContact CE1-CD2 3.49Å; H137-F159 AromaticContact CE1-CE2 3.76Å; H137-F159 AromaticContact CE1-CG 3.7Å; H137-F159 PolarHBondContact N-O 2.92Å; H137-F159 AromaticContact ND1-CD2 3.99Å; H137-F159 AromaticContact NE2-CD1 3.48Å; H137-F159 WeakPolarHBondContact NE2-CD1 3.39Å; H137-F159 AromaticContact NE2-CD2 3.43Å; H137-F159 WeakPolarHBondContact NE2-CD2 3.42Å; H137-F159 AromaticContact NE2-CE1 3.81Å; H137-F159 AromaticContact NE2-CE2 3.76Å; H137-F159 AromaticContact NE2-CG 3.26Å; H137-F159 VanDerWaalsContact NE2-CG 3.26Å; H137-F159 WeakPolarHBondContact NE2-CG 3.41Å; H137-F159 AromaticContact NE2-CZ 3.93Å
138	N	97.4	Very high	96	Very high	7 Å²	7	40.2 Å²	40.2	4%	0.037	19%	0.193	C	C	.	.	S	Bend	trans	-127	-161.9	178.7	-89	-81.4	0	0	0	109.7	L113 N116 Q117 I118 L135 N136 I140 F159 N160	L113-N138 PolarHBondContact O-ND2 3.41Å; N116-N138 WeakPolarHBondContact CA-OD1 3.32Å; N116-N138 WeakPolarHBondContact CB-OD1 3.36Å; N116-N138 PolarHBondContact O-OD1 3.32Å; Q117-N138 PolarHBondContact N-OD1 2.97Å; I118-N138 HydrophobicContact CB-CB 4.49Å; I118-N138 VanDerWaalsContact CB-OD1 3.24Å; I118-N138 WeakPolarHBondContact CB-OD1 3.34Å; I118-N138 WeakPolarHBondContact CG1-OD1 3.38Å; I118-N138 PolarHBondContact N-OD1 3.48Å; L135-N138 WeakPolarHBondContact O-CB 3.34Å; L135-N138 PolarHBondContact O-ND2 3.38Å; N136-N138 VanDerWaalsContact C-N 3.34Å; N136-N138 PolarHBondContact O-N 3.37Å; N136-N138 PolarHBondContact O-ND2 3.44Å; N138-I140 HydrophobicContact CB-CD1 4.47Å; N138-I140 HydrophobicContact CB-CG1 4.42Å; N138-F159 PolarHBondContact N-O 2.86Å; N138-N160 WeakPolarHBondContact CA-OD1 2.89Å; N138-N160 VanDerWaalsContact CB-OD1 3.29Å; N138-N160 WeakPolarHBondContact CB-OD1 3.46Å; N138-N160 PolarHBondContact O-OD1 3.37Å
139	Q	98.2	Very high	96.1	Very high	55 Å²	55	34.1 Å²	34.1	26%	0.257	17%	0.169	S	C	.	.			trans	-120.6	22.8	-174.2	-56.3	-176.3	12.9	0	0	112.5	I118 K119 N160 Y161	I118-Q139 CarbonylContact O-C 3.58Å; I118-Q139 WeakPolarHBondContact O-CA 3.25Å; I118-Q139 PolarHBondContact O-N 3.34Å; K119-Q139 HydrophobicContact CG-CB 3.76Å; Q139-N160 PolarHBondContact N-OD1 2.74Å; Q139-Y161 HydrophobicContact CB-CD2 4.32Å; Q139-Y161 HydrophobicContact CB-CE2 4.07Å; Q139-Y161 HydrophobicContact CG-CE2 4.17Å
140	I	98.5	Very high	96.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.182	C	C	.	.			trans	-71.9	135.5	-174.9	-58.8	167.4	0	0	0	110.3	I118 I121 L135 N138 I142 L157 N160 Y161 I162	I118-I140 PolarHBondContact O-N 3.3Å; I121-I140 HydrophobicContact CD1-CG2 4.44Å; I121-I140 HydrophobicContact CG1-CD1 3.99Å; I121-I140 HydrophobicContact CG1-CG2 4.25Å; L135-I140 HydrophobicContact CB-CD1 3.82Å; L135-I140 HydrophobicContact CD1-CD1 3.92Å; L135-I140 HydrophobicContact CD2-CD1 4.23Å; L135-I140 HydrophobicContact CG-CD1 4.23Å; N138-I140 HydrophobicContact CB-CD1 4.47Å; N138-I140 HydrophobicContact CB-CG1 4.42Å; I140-I142 WeakPolarHBondContact CG2-O 3.48Å; I140-L157 HydrophobicContact CD1-CD2 3.88Å; I140-N160 HydrophobicContact CB-CB 4.44Å; I140-N160 VanDerWaalsContact CB-OD1 3.3Å; I140-N160 WeakPolarHBondContact CB-OD1 3.37Å; I140-N160 PolarHBondContact N-OD1 2.96Å; I140-Y161 CarbonylContact O-C 3.18Å; I140-Y161 WeakPolarHBondContact O-CA 3.29Å; I140-Y161 PolarHBondContact O-N 3.3Å; I140-I162 HydrophobicContact CG2-CG1 4.46Å; I140-I162 PolarHBondContact O-N 3.49Å
141	Q	97.8	Very high	96.2	Very high	120 Å²	120	42.5 Å²	42.5	56%	0.561	20%	0.203	S	C	*	.			trans	-113.3	-22.7	179.3	-67.1	174.6	18.8	0	0	113.3
142	I	97.3	Very high	96.3	Very high	97 Å²	97	41.1 Å²	41.1	50%	0.497	20%	0.196	S	C	.	.	S	Bend	trans	-135.1	137	-173.5	-58.4	177.8	0	0	0	108.3	I140 E144	I140-I142 WeakPolarHBondContact CG2-O 3.48Å; I142-E144 HydrophobicContact CG2-CB 4.31Å; I142-E144 HydrophobicContact CG2-CG 4.37Å
143	I	97.2	Very high	96.3	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.01	20%	0.198	C	C	.	.			trans	-87.1	116.2	169.9	-52.4	-179.6	0	0	0	107.3	L146 L157 I162 T166 G167 L168 L179	I143-L146 HydrophobicContact CG2-CD1 3.66Å; I143-L157 HydrophobicContact CD1-CD1 3.87Å; I143-L157 HydrophobicContact CG1-CD1 3.93Å; I143-L157 HydrophobicContact CG2-CD1 4.43Å; I143-I162 HydrophobicContact CD1-CD1 4.26Å; I143-I162 HydrophobicContact CD1-CG2 4.41Å; I143-I162 HydrophobicContact CG1-CD1 3.92Å; I143-I162 HydrophobicContact CG1-CG2 4.28Å; I143-T166 WeakPolarHBondContact CB-O 3.16Å; I143-G167 WeakPolarHBondContact O-CA 3.47Å; I143-L168 HydrophobicContact CD1-CD2 4.35Å; I143-L168 HydrophobicContact CG2-CD2 4.18Å; I143-L179 HydrophobicContact CD1-CD2 4.16Å
144	E	96.2	Very high	96.1	Very high	58 Å²	58	41.6 Å²	41.6	27%	0.271	20%	0.198	S	C	.	.			trans	-153.9	170.4	-177.7	57.9	172.6	177.8	0	0	111.4	Q120 I121 I142 L146	Q120-E144 WeakPolarHBondContact CG-OE1 3.28Å; Q120-E144 PolarHBondContact NE2-OE1 3.44Å; I121-E144 WeakPolarHBondContact CG2-O 3.1Å; I142-E144 HydrophobicContact CG2-CB 4.31Å; I142-E144 HydrophobicContact CG2-CG 4.37Å; E144-L146 VanDerWaalsContact C-N 3.26Å; E144-L146 WeakPolarHBondContact O-CG 3.43Å; E144-L146 PolarHBondContact O-N 2.76Å
145	N	96.1	Very high	96.2	Very high	66 Å²	66	41.3 Å²	41.3	35%	0.353	20%	0.196	S	C	.	.	S	Bend	trans	58.9	29	175.8	-54.4	-43.8	0	0	0	115.2	I121 H148	I121-N145 PolarHBondContact O-ND2 2.64Å; N145-H148 PolarHBondContact O-CE1 3.31Å; N145-H148 VanDerWaalsContact O-CE1 3.26Å
146	L	97.4	Very high	96.1	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	20%	0.196	C	C	.	.			trans	-108.1	-8.2	178	-55.3	-176.2	0	0	0	114.7	I121 L124 L133 I143 E144 H148 L149 L155 L171	I121-L146 HydrophobicContact CD1-CD1 4.44Å; I121-L146 HydrophobicContact CD1-CD2 4.33Å; I121-L146 HydrophobicContact CD1-CG 4.49Å; I121-L146 HydrophobicContact CG2-CD2 3.75Å; L124-L146 HydrophobicContact CD1-CD2 3.73Å; L133-L146 HydrophobicContact CD2-CD2 3.92Å; I143-L146 HydrophobicContact CG2-CD1 3.66Å; E144-L146 VanDerWaalsContact C-N 3.26Å; E144-L146 WeakPolarHBondContact O-CG 3.43Å; E144-L146 PolarHBondContact O-N 2.76Å; L146-H148 PolarHBondContact O-N 2.82Å; L146-L149 HydrophobicContact CB-CD1 4.23Å; L146-L149 HydrophobicContact CD2-CD1 3.69Å; L146-L149 WeakPolarHBondContact O-CB 3.24Å; L146-L149 WeakPolarHBondContact O-CG 3.13Å; L146-L149 PolarHBondContact O-N 3.48Å; L146-L155 HydrophobicContact CD1-CD1 4.43Å; L146-L155 HydrophobicContact CD1-CD2 3.61Å; L146-L171 HydrophobicContact CB-CD1 4.2Å; L146-L171 HydrophobicContact CB-CD2 4.1Å; L146-L171 HydrophobicContact CB-CG 4.42Å; L146-L171 HydrophobicContact CD1-CD1 4.05Å; L146-L171 WeakPolarHBondContact O-CD2 3.25Å
147	I	96.1	Very high	96.3	Very high	111 Å²	111	40.9 Å²	40.9	57%	0.569	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-26.2	-164.8	-173.7	162.4	0	0	0	116	S169	I147-S169 VanDerWaalsContact CA-O 3.3Å; I147-S169 WeakPolarHBondContact CA-O 3.46Å; I147-S169 WeakPolarHBondContact CG1-O 3.15Å
148	H	95.8	Very high	96.2	Very high	37 Å²	37	37.8 Å²	37.8	17%	0.171	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-10.4	179.7	57.6	-71.6	0	0	0	113.7	L124 N125 Y128 N145 L146 K150	L124-H148 PolarHBondContact O-NE2 3.11Å; N125-H148 WeakPolarHBondContact CA-NE2 3.35Å; N125-H148 PolarHBondContact O-CD2 3.33Å; N125-H148 VanDerWaalsContact O-CD2 3.25Å; N125-H148 PolarHBondContact O-NE2 3.41Å; Y128-H148 HydrophobicContact CD1-CB 4.07Å; Y128-H148 AromaticContact CD1-CD2 3.89Å; Y128-H148 HydrophobicContact CE1-CB 3.91Å; Y128-H148 AromaticContact CE1-CD2 3.9Å; N145-H148 PolarHBondContact O-CE1 3.31Å; N145-H148 VanDerWaalsContact O-CE1 3.26Å; L146-H148 PolarHBondContact O-N 2.82Å; H148-K150 PolarHBondContact O-N 2.79Å
149	L	97.4	Very high	96.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.193	C	C	.	.			trans	-80.4	53.7	-175.6	-54.2	176.8	0	0	0	112.1	L124 L127 L130 L146 K151 L152 L171	L124-L149 HydrophobicContact CD1-CD1 3.94Å; L127-L149 VanDerWaalsContact O-CD2 3.23Å; L127-L149 WeakPolarHBondContact O-CD2 3.39Å; L130-L149 HydrophobicContact CB-CD2 4.22Å; L130-L149 HydrophobicContact CD2-CD1 4.43Å; L146-L149 HydrophobicContact CB-CD1 4.23Å; L146-L149 HydrophobicContact CD2-CD1 3.69Å; L146-L149 WeakPolarHBondContact O-CB 3.24Å; L146-L149 WeakPolarHBondContact O-CG 3.13Å; L146-L149 PolarHBondContact O-N 3.48Å; L149-K151 PolarHBondContact O-N 2.79Å; L149-L152 HydrophobicContact CB-CB 4.06Å; L149-L152 HydrophobicContact CD1-CD2 4.49Å; L149-L152 WeakPolarHBondContact O-CB 3.43Å; L149-L152 PolarHBondContact O-N 3.47Å; L149-L171 HydrophobicContact CB-CD2 3.96Å
150	K	96.5	Very high	96	Very high	126 Å²	126	38.4 Å²	38.4	55%	0.548	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-15.8	-173.6	-63.2	-180	-177.4	179.7	0	114.6	H148 I172 S173	H148-K150 PolarHBondContact O-N 2.79Å; K150-I172 HydrophobicContact CB-CD1 4.26Å; K150-I172 HydrophobicContact CB-CG1 4.13Å; K150-I172 HydrophobicContact CD-CD1 4.47Å; K150-I172 HydrophobicContact CG-CD1 4.47Å; K150-I172 HydrophobicContact CG-CG1 4.48Å; K150-S173 WeakPolarHBondContact O-CB 3.27Å; K150-S173 PolarHBondContact O-OG 3.32Å
151	K	95.6	Very high	96	Very high	103 Å²	103	44.2 Å²	44.2	45%	0.448	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-5.1	176.9	-67.8	-172.7	-177.8	178.9	0	114.1	N129 L130 N131 L149 Y153	N129-K151 PolarHBondContact OD1-NZ 3.26Å; L130-K151 CarbonylContact O-C 3.22Å; L130-K151 VanDerWaalsContact O-C 3.26Å; N131-K151 PolarHBondContact ND2-O 2.9Å; L149-K151 PolarHBondContact O-N 2.79Å; K151-Y153 PolarHBondContact O-N 3.15Å
152	L	96	Very high	96	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.177	C	C	.	.			trans	-67.9	123.4	178.7	-166.3	77.5	0	0	0	109.1	L130 L133 L149 L155 L171 S173 L174	L130-L152 HydrophobicContact CD2-CD1 4.21Å; L130-L152 HydrophobicContact CG-CD1 4.21Å; L130-L152 VanDerWaalsContact O-CA 3.31Å; L130-L152 WeakPolarHBondContact O-CA 3.35Å; L130-L152 PolarHBondContact O-N 2.67Å; L130-L152 VanDerWaalsContact O-N 3.07Å; L133-L152 HydrophobicContact CB-CD1 3.78Å; L149-L152 HydrophobicContact CB-CB 4.06Å; L149-L152 HydrophobicContact CD1-CD2 4.49Å; L149-L152 WeakPolarHBondContact O-CB 3.43Å; L149-L152 PolarHBondContact O-N 3.47Å; L152-L155 HydrophobicContact CD2-CB 4.11Å; L152-L155 HydrophobicContact CD2-CD1 4.35Å; L152-L155 HydrophobicContact CD2-CD2 4.44Å; L152-L171 HydrophobicContact CB-CD2 4.17Å; L152-L171 HydrophobicContact CD2-CD1 4.32Å; L152-L171 HydrophobicContact CD2-CD2 3.94Å; L152-S173 CarbonylContact O-C 3.4Å; L152-S173 WeakPolarHBondContact O-CB 3.35Å; L152-L174 HydrophobicContact CD2-CD1 4.45Å; L152-L174 WeakPolarHBondContact O-CA 3.41Å; L152-L174 PolarHBondContact O-N 3.23Å; L152-L174 VanDerWaalsContact O-N 3.16Å
153	Y	93.4	Very high	95.9	Very high	10 Å²	10	37.1 Å²	37.1	4%	0.039	17%	0.174	C	C	.	.			trans	-119.2	-22.3	178.5	80.9	-68.9	0	0	0	113.2	N131 V132 K151 S173 T175 E176 I282 Y313 F314	N131-Y153 HydrophobicContact CB-CD1 3.94Å; N131-Y153 HydrophobicContact CB-CE1 3.84Å; N131-Y153 WeakPolarHBondContact O-CD1 3.19Å; N131-Y153 WeakPolarHBondContact O-CE1 3.45Å; N131-Y153 PolarHBondContact O-N 2.8Å; V132-Y153 HydrophobicContact CG2-CE1 3.69Å; K151-Y153 PolarHBondContact O-N 3.15Å; Y153-S173 WeakPolarHBondContact CA-O 3.35Å; Y153-S173 WeakPolarHBondContact CB-O 3.36Å; Y153-T175 WeakPolarHBondContact CD2-OG1 3.05Å; Y153-T175 PolarHBondContact O-N 3.43Å; Y153-T175 PolarHBondContact O-OG1 3.08Å; Y153-T175 VanDerWaalsContact O-OG1 3.11Å; Y153-E176 PolarHBondContact O-N 3.36Å; Y153-I282 HydrophobicContact CE2-CD1 3.64Å; Y153-I282 WeakPolarHBondContact OH-CD1 3.42Å; Y153-Y313 AromaticContact CE2-CE1 3.64Å; Y153-Y313 HydrophobicContact CE2-CE1 3.64Å; Y153-Y313 AromaticContact CZ-CE1 3.78Å; Y153-Y313 WeakPolarHBondContact OH-CE1 3.34Å; Y153-F314 HydrophobicContact CD1-CE1 4.41Å; Y153-F314 AromaticContact CE1-CE1 3.4Å; Y153-F314 HydrophobicContact CE1-CE1 3.4Å; Y153-F314 AromaticContact CE1-CZ 3.52Å; Y153-F314 HydrophobicContact CE1-CZ 3.52Å; Y153-F314 AromaticContact CZ-CE1 3.77Å; Y153-F314 AromaticContact CZ-CZ 3.73Å; Y153-F314 WeakPolarHBondContact OH-CE1 3.39Å; Y153-F314 WeakPolarHBondContact OH-CZ 3.49Å
154	C	91.9	Very high	95.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	122.7	171	174.5	0	0	0	0	110.8	N131 V132 L133 E176	N131-C154 PolarHBondContact O-N 3.28Å; V132-C154 WeakPolarHBondContact CA-O 3.46Å; V132-C154 HydrophobicContact CG1-CB 4.28Å; V132-C154 HydrophobicContact CG2-CB 4.27Å; L133-C154 PolarHBondContact N-O 2.79Å; L133-C154 VanDerWaalsContact N-O 3.11Å; C154-E176 HydrophobicContact CB-CB 4.3Å
155	L	96.2	Very high	95.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	113.9	173.6	178	56.2	0	0	0	109.8	L133 L146 L152 L157 L168 L171 L174 E176 L177 N178	L133-L155 HydrophobicContact CB-CD1 4.06Å; L133-L155 HydrophobicContact CD2-CD1 3.92Å; L133-L155 HydrophobicContact CG-CD1 4.03Å; L146-L155 HydrophobicContact CD1-CD1 4.43Å; L146-L155 HydrophobicContact CD1-CD2 3.61Å; L152-L155 HydrophobicContact CD2-CB 4.11Å; L152-L155 HydrophobicContact CD2-CD1 4.35Å; L152-L155 HydrophobicContact CD2-CD2 4.44Å; L155-L157 HydrophobicContact CD1-CD1 4Å; L155-L157 HydrophobicContact CD1-CG 3.95Å; L155-L157 HydrophobicContact CD2-CD1 3.78Å; L155-L157 HydrophobicContact CG-CD1 3.79Å; L155-L157 HydrophobicContact CG-CG 4.05Å; L155-L168 HydrophobicContact CD2-CD2 4.18Å; L155-L171 HydrophobicContact CD2-CD1 4.25Å; L155-L174 HydrophobicContact CB-CD1 3.75Å; L155-E176 PolarHBondContact N-O 2.83Å; L155-L177 HydrophobicContact CB-CD1 4.3Å; L155-L177 HydrophobicContact CD2-CD1 4.01Å; L155-L177 HydrophobicContact CG-CD1 4.18Å; L155-N178 PolarHBondContact O-N 3.48Å
156	N	95	Very high	95.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	115.1	175.9	-168.9	17.2	0	0	0	111	L133 D134 L135 S158 N178	L133-N156 PolarHBondContact O-N 3.27Å; D134-N156 HydrophobicContact CB-CB 4.22Å; D134-N156 VanDerWaalsContact CG-ND2 3.25Å; D134-N156 WeakPolarHBondContact OD1-CB 3.26Å; D134-N156 PolarHBondContact OD1-ND2 3.36Å; D134-N156 PolarHBondContact OD2-ND2 3.05Å; L135-N156 PolarHBondContact N-O 3.26Å; N156-S158 PolarHBondContact OD1-N 3.46Å; N156-S158 PolarHBondContact OD1-OG 2.86Å; N156-N178 HydrophobicContact CB-CB 4.45Å; N156-N178 WeakPolarHBondContact OD1-CB 3.37Å; N156-N178 VanDerWaalsContact OD1-CG 3.28Å; N156-N178 PolarHBondContact OD1-ND2 2.81Å; N156-N178 VanDerWaalsContact OD1-ND2 3.13Å
157	L	97.1	Very high	95.2	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.192	C	C	.	.			trans	-129	22.3	-179.2	-74.5	166.9	0	0	0	110.8	I121 L135 I140 I143 L155 N160 I162 N178 L179 N182	I121-L157 HydrophobicContact CD1-CD2 4.33Å; L135-L157 HydrophobicContact CB-CD2 3.9Å; L135-L157 HydrophobicContact CD1-CD2 4.13Å; I140-L157 HydrophobicContact CD1-CD2 3.88Å; I143-L157 HydrophobicContact CD1-CD1 3.87Å; I143-L157 HydrophobicContact CG1-CD1 3.93Å; I143-L157 HydrophobicContact CG2-CD1 4.43Å; L155-L157 HydrophobicContact CD1-CD1 4Å; L155-L157 HydrophobicContact CD1-CG 3.95Å; L155-L157 HydrophobicContact CD2-CD1 3.78Å; L155-L157 HydrophobicContact CG-CD1 3.79Å; L155-L157 HydrophobicContact CG-CG 4.05Å; L157-N160 PolarHBondContact O-ND2 2.99Å; L157-I162 HydrophobicContact CB-CD1 3.87Å; L157-I162 HydrophobicContact CD1-CD1 4.08Å; L157-I162 HydrophobicContact CD2-CD1 4.36Å; L157-I162 HydrophobicContact CG-CD1 4.35Å; L157-N178 CarbonylContact C-O 3.56Å; L157-N178 WeakPolarHBondContact CA-O 3.47Å; L157-N178 PolarHBondContact N-O 3.45Å; L157-L179 HydrophobicContact CB-CD2 3.96Å; L157-L179 HydrophobicContact CD1-CD2 4.34Å; L157-N182 PolarHBondContact O-ND2 3.28Å
158	S	92.4	Very high	95.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.165	C	C	.	.			trans	-66.9	159.1	179.3	68.2	0	0	0	0	112.8	N136 H137 N156 N160 N178 R180 E287	N136-S158 CarbonylContact C-O 3.46Å; N136-S158 WeakPolarHBondContact CA-O 3.49Å; N136-S158 WeakPolarHBondContact CB-O 3.45Å; N136-S158 WeakPolarHBondContact CB-OG 3.49Å; H137-S158 PolarHBondContact N-O 3.06Å; N156-S158 PolarHBondContact OD1-N 3.46Å; N156-S158 PolarHBondContact OD1-OG 2.86Å; S158-N160 PolarHBondContact O-N 2.63Å; S158-N160 PolarHBondContact O-ND2 2.96Å; S158-N178 PolarHBondContact N-O 2.83Å; S158-R180 CarbonylContact C-O 3.42Å; S158-R180 WeakPolarHBondContact CA-O 3.48Å; S158-R180 WeakPolarHBondContact CB-O 3.3Å; S158-E287 WeakPolarHBondContact CB-OE1 3.45Å; S158-E287 WeakPolarHBondContact OG-CG 3.06Å; S158-E287 PolarHBondContact OG-OE1 3.28Å
159	F	95.1	Very high	95	Very high	72 Å²	72	33.5 Å²	33.5	32%	0.316	18%	0.175	S	C	.	.	S	Bend	trans	51.7	52.2	-178	-63.9	-94	0	0	0	112.8	H137 N138 R180 H181 E287	H137-F159 VanDerWaalsContact CA-O 3.24Å; H137-F159 WeakPolarHBondContact CA-O 3.42Å; H137-F159 HydrophobicContact CB-CB 4.3Å; H137-F159 VanDerWaalsContact CD2-CB 3.43Å; H137-F159 WeakPolarHBondContact CD2-CB 3.46Å; H137-F159 AromaticContact CD2-CD1 3.82Å; H137-F159 AromaticContact CD2-CG 3.52Å; H137-F159 AromaticContact CE1-CD2 3.4Å; H137-F159 VanDerWaalsContact CE1-CD2 3.4Å; H137-F159 WeakPolarHBondContact CE1-CD2 3.49Å; H137-F159 AromaticContact CE1-CE2 3.76Å; H137-F159 AromaticContact CE1-CG 3.7Å; H137-F159 PolarHBondContact N-O 2.92Å; H137-F159 AromaticContact ND1-CD2 3.99Å; H137-F159 AromaticContact NE2-CD1 3.48Å; H137-F159 WeakPolarHBondContact NE2-CD1 3.39Å; H137-F159 AromaticContact NE2-CD2 3.43Å; H137-F159 WeakPolarHBondContact NE2-CD2 3.42Å; H137-F159 AromaticContact NE2-CE1 3.81Å; H137-F159 AromaticContact NE2-CE2 3.76Å; H137-F159 AromaticContact NE2-CG 3.26Å; H137-F159 VanDerWaalsContact NE2-CG 3.26Å; H137-F159 WeakPolarHBondContact NE2-CG 3.41Å; H137-F159 AromaticContact NE2-CZ 3.93Å; N138-F159 PolarHBondContact N-O 2.86Å; F159-R180 PolarHBondContact N-O 3.07Å; F159-H181 VanDerWaalsContact CA-O 3.28Å; F159-H181 WeakPolarHBondContact CA-O 3.27Å; F159-H181 HydrophobicContact CB-CB 4.44Å; F159-H181 HydrophobicContact CD1-CB 3.55Å; F159-H181 AromaticContact CD1-CG 3.77Å; F159-H181 HydrophobicContact CD2-CB 4.13Å; F159-H181 HydrophobicContact CE1-CB 3.76Å; F159-H181 AromaticContact CE1-CD2 3.48Å; F159-H181 VanDerWaalsContact CE1-CD2 3.48Å; F159-H181 WeakPolarHBondContact CE1-CD2 3.44Å; F159-H181 AromaticContact CE1-CG 3.4Å; F159-H181 VanDerWaalsContact CE1-CG 3.4Å; F159-H181 AromaticContact CE1-ND1 3.78Å; F159-H181 AromaticContact CE1-NE2 3.93Å; F159-H181 HydrophobicContact CE2-CB 4.31Å; F159-H181 AromaticContact CE2-CD2 3.45Å; F159-H181 VanDerWaalsContact CE2-CD2 3.45Å; F159-H181 WeakPolarHBondContact CE2-CD2 3.38Å; F159-H181 HydrophobicContact CG-CB 3.76Å; F159-H181 HydrophobicContact CZ-CB 4.15Å; F159-H181 AromaticContact CZ-CD2 3.1Å; F159-H181 WeakPolarHBondContact CZ-CD2 3.47Å; F159-H181 AromaticContact CZ-CG 3.57Å; F159-H181 AromaticContact CZ-NE2 3.5Å; F159-H181 PolarHBondContact N-O 3Å; F159-E287 WeakPolarHBondContact CE2-OE1 3.31Å
160	N	97.1	Very high	94.7	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.021	19%	0.186	C	C	.	.	S	Bend	trans	-127.8	-168.8	174.6	-84.4	-86.7	0	0	0	109.2	L135 N138 Q139 I140 L157 S158 I162 H181 N182	L135-N160 PolarHBondContact O-ND2 2.73Å; N138-N160 WeakPolarHBondContact CA-OD1 2.89Å; N138-N160 VanDerWaalsContact CB-OD1 3.29Å; N138-N160 WeakPolarHBondContact CB-OD1 3.46Å; N138-N160 PolarHBondContact O-OD1 3.37Å; Q139-N160 PolarHBondContact N-OD1 2.74Å; I140-N160 HydrophobicContact CB-CB 4.44Å; I140-N160 VanDerWaalsContact CB-OD1 3.3Å; I140-N160 WeakPolarHBondContact CB-OD1 3.37Å; I140-N160 PolarHBondContact N-OD1 2.96Å; L157-N160 PolarHBondContact O-ND2 2.99Å; S158-N160 PolarHBondContact O-N 2.63Å; S158-N160 PolarHBondContact O-ND2 2.96Å; N160-I162 HydrophobicContact CB-CD1 4.42Å; N160-I162 HydrophobicContact CB-CG1 4.4Å; N160-H181 PolarHBondContact N-O 2.9Å; N160-N182 WeakPolarHBondContact CA-OD1 3.22Å; N160-N182 VanDerWaalsContact CB-OD1 3.32Å; N160-N182 WeakPolarHBondContact CB-OD1 3.5Å; N160-N182 PolarHBondContact O-OD1 3Å
161	Y	97.8	Very high	94.7	Very high	121 Å²	121	28.6 Å²	28.6	48%	0.475	16%	0.16	S	C	.	.			trans	-112	17.6	-175.2	-58.8	-55.7	0	0	0	114	Q139 I140 T163 N182 N183	Q139-Y161 HydrophobicContact CB-CD2 4.32Å; Q139-Y161 HydrophobicContact CB-CE2 4.07Å; Q139-Y161 HydrophobicContact CG-CE2 4.17Å; I140-Y161 CarbonylContact O-C 3.18Å; I140-Y161 WeakPolarHBondContact O-CA 3.29Å; I140-Y161 PolarHBondContact O-N 3.3Å; Y161-T163 PolarHBondContact O-N 3.23Å; Y161-N182 PolarHBondContact N-OD1 2.9Å; Y161-N183 WeakPolarHBondContact CA-ND2 3.3Å; Y161-N183 PolarHBondContact O-ND2 3.38Å; Y161-N183 VanDerWaalsContact O-ND2 3.17Å
162	I	98.2	Very high	94.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.159	C	C	.	.			trans	-62.5	130.2	-173.4	-59	164.3	0	0	0	110.8	I140 I143 L157 N160 T164 L179 N182 N183 I184	I140-I162 HydrophobicContact CG2-CG1 4.46Å; I140-I162 PolarHBondContact O-N 3.49Å; I143-I162 HydrophobicContact CD1-CD1 4.26Å; I143-I162 HydrophobicContact CD1-CG2 4.41Å; I143-I162 HydrophobicContact CG1-CD1 3.92Å; I143-I162 HydrophobicContact CG1-CG2 4.28Å; L157-I162 HydrophobicContact CB-CD1 3.87Å; L157-I162 HydrophobicContact CD1-CD1 4.08Å; L157-I162 HydrophobicContact CD2-CD1 4.36Å; L157-I162 HydrophobicContact CG-CD1 4.35Å; N160-I162 HydrophobicContact CB-CD1 4.42Å; N160-I162 HydrophobicContact CB-CG1 4.4Å; I162-T164 VanDerWaalsContact CG2-O 3.24Å; I162-T164 WeakPolarHBondContact CG2-O 3.11Å; I162-L179 HydrophobicContact CD1-CD2 3.98Å; I162-N182 HydrophobicContact CB-CB 4.47Å; I162-N182 VanDerWaalsContact CB-OD1 3.28Å; I162-N182 WeakPolarHBondContact CB-OD1 3.42Å; I162-N182 WeakPolarHBondContact CG1-OD1 3.49Å; I162-N182 PolarHBondContact N-OD1 3.45Å; I162-N183 CarbonylContact O-C 3.27Å; I162-N183 VanDerWaalsContact O-C 3.27Å; I162-N183 VanDerWaalsContact O-CA 3.27Å; I162-N183 WeakPolarHBondContact O-CA 3.22Å; I162-N183 WeakPolarHBondContact O-CB 3.18Å; I162-N183 PolarHBondContact O-N 2.92Å; I162-I184 HydrophobicContact CG2-CG1 4.48Å; I162-I184 PolarHBondContact O-N 2.78Å
163	T	95.6	Very high	94.5	Very high	69 Å²	69	29.1 Å²	29.1	42%	0.423	17%	0.169	S	C	.	.			trans	-105.8	-26.8	-178.3	51.4	0	0	0	0	113.8	Y161 N183	Y161-T163 PolarHBondContact O-N 3.23Å; T163-N183 HydrophobicContact CG2-CB 3.73Å
164	T	92.8	Very high	94.5	Very high	58 Å²	58	28.6 Å²	28.6	36%	0.356	17%	0.167	S	C	.	.	B	Isolated β-bridge	trans	-134.7	144.2	-179.3	57.1	0	0	0	0	111.1	I162 T166	I162-T164 VanDerWaalsContact CG2-O 3.24Å; I162-T164 WeakPolarHBondContact CG2-O 3.11Å; T164-T166 PolarHBondContact O-N 3.05Å
165	V	93.7	Very high	94.4	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.024	17%	0.174	C	C	.	.			trans	-95.9	74.5	-178.8	-171	0	0	0	0	109.6	L168 L177 L179 I184 I187 I190	V165-L168 HydrophobicContact CG1-CD1 3.73Å; V165-L177 HydrophobicContact CG1-CD2 4.49Å; V165-L179 HydrophobicContact CG1-CD1 4.04Å; V165-L179 HydrophobicContact CG2-CD1 3.92Å; V165-I184 HydrophobicContact CG2-CD1 3.67Å; V165-I184 HydrophobicContact CG2-CG1 4.12Å; V165-I184 HydrophobicContact CG2-CG2 3.96Å; V165-I187 HydrophobicContact CG2-CG1 4.24Å; V165-I190 HydrophobicContact CG1-CG2 4.33Å
166	T	92.6	Very high	94.1	Very high	50 Å²	50	30.3 Å²	30.3	31%	0.307	18%	0.177	S	C	.	.			trans	-111	-171.4	176.3	61.3	0	0	0	0	110.4	I143 T164 L168	I143-T166 WeakPolarHBondContact CB-O 3.16Å; T164-T166 PolarHBondContact O-N 3.05Å; T166-L168 PolarHBondContact O-N 3.09Å
167	G	93.1	Very high	94	Very high	32 Å²	32	30.3 Å²	30.3	33%	0.33	18%	0.177	S	C	.	.			trans	72.3	-7.2	170.3	0	0	0	0	0	117.8	I143 S169	I143-G167 WeakPolarHBondContact O-CA 3.47Å; G167-S169 PolarHBondContact O-N 2.87Å
168	L	94.8	Very high	93.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.177	C	C	.	.			trans	-72	-3.9	-179.9	-59.5	176.3	0	0	0	114.8	I143 L155 V165 T166 G170 L171 L174 L177 I190 V193	I143-L168 HydrophobicContact CD1-CD2 4.35Å; I143-L168 HydrophobicContact CG2-CD2 4.18Å; L155-L168 HydrophobicContact CD2-CD2 4.18Å; V165-L168 HydrophobicContact CG1-CD1 3.73Å; T166-L168 PolarHBondContact O-N 3.09Å; L168-G170 PolarHBondContact O-N 3.48Å; L168-L171 HydrophobicContact CB-CD1 4.46Å; L168-L171 HydrophobicContact CD2-CD1 3.97Å; L168-L171 WeakPolarHBondContact O-CB 3.46Å; L168-L171 WeakPolarHBondContact O-CG 3.47Å; L168-L171 PolarHBondContact O-N 2.96Å; L168-L174 HydrophobicContact CD2-CD2 4.33Å; L168-L177 HydrophobicContact CD1-CD2 3.59Å; L168-L177 HydrophobicContact CD2-CD1 4.3Å; L168-L177 HydrophobicContact CD2-CD2 4.25Å; L168-I190 HydrophobicContact CD1-CG2 4.14Å; L168-V193 HydrophobicContact CB-CG1 3.92Å
169	S	92.1	Very high	93.9	Very high	55 Å²	55	30.3 Å²	30.3	39%	0.385	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	132.3	-178	-65.4	0	0	0	0	111.9	I147 G167 N192	I147-S169 VanDerWaalsContact CA-O 3.3Å; I147-S169 WeakPolarHBondContact CA-O 3.46Å; I147-S169 WeakPolarHBondContact CG1-O 3.15Å; G167-S169 PolarHBondContact O-N 2.87Å; S169-N192 WeakPolarHBondContact CA-ND2 3.43Å; S169-N192 PolarHBondContact N-ND2 3.07Å; S169-N192 PolarHBondContact OG-ND2 3.15Å
170	G	92.2	Very high	93.7	Very high	23 Å²	23	28 Å²	28	24%	0.237	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	92	-11.5	180	0	0	0	0	0	115.1	L168 I172	L168-G170 PolarHBondContact O-N 3.48Å; G170-I172 PolarHBondContact O-N 2.86Å
171	L	95.4	Very high	93.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.179	C	C	.	.			trans	-77.8	54.2	176.6	-59.8	-179	0	0	0	112.4	L146 L149 L152 L155 L168 S173 L174 V193	L146-L171 HydrophobicContact CB-CD1 4.2Å; L146-L171 HydrophobicContact CB-CD2 4.1Å; L146-L171 HydrophobicContact CB-CG 4.42Å; L146-L171 HydrophobicContact CD1-CD1 4.05Å; L146-L171 WeakPolarHBondContact O-CD2 3.25Å; L149-L171 HydrophobicContact CB-CD2 3.96Å; L152-L171 HydrophobicContact CB-CD2 4.17Å; L152-L171 HydrophobicContact CD2-CD1 4.32Å; L152-L171 HydrophobicContact CD2-CD2 3.94Å; L155-L171 HydrophobicContact CD2-CD1 4.25Å; L168-L171 HydrophobicContact CB-CD1 4.46Å; L168-L171 HydrophobicContact CD2-CD1 3.97Å; L168-L171 WeakPolarHBondContact O-CB 3.46Å; L168-L171 WeakPolarHBondContact O-CG 3.47Å; L168-L171 PolarHBondContact O-N 2.96Å; L171-S173 PolarHBondContact O-N 2.99Å; L171-L174 HydrophobicContact CB-CB 4.07Å; L171-L174 HydrophobicContact CB-CD2 4.45Å; L171-L174 HydrophobicContact CD1-CD2 4.19Å; L171-L174 VanDerWaalsContact O-CB 3.3Å; L171-L174 WeakPolarHBondContact O-CB 3.44Å; L171-L174 PolarHBondContact O-N 3.1Å; L171-V193 HydrophobicContact CB-CG1 4Å
172	I	93.7	Very high	93.5	Very high	83 Å²	83	25.2 Å²	25.2	43%	0.426	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-9.9	-174	61.6	171.6	0	0	0	115.3	K150 G170 K195	K150-I172 HydrophobicContact CB-CD1 4.26Å; K150-I172 HydrophobicContact CB-CG1 4.13Å; K150-I172 HydrophobicContact CD-CD1 4.47Å; K150-I172 HydrophobicContact CG-CD1 4.47Å; K150-I172 HydrophobicContact CG-CG1 4.48Å; G170-I172 PolarHBondContact O-N 2.86Å; I172-K195 WeakPolarHBondContact O-CD 3.26Å; I172-K195 WeakPolarHBondContact O-CE 3.16Å; I172-K195 WeakPolarHBondContact O-CG 3.44Å
173	S	94.3	Very high	93.5	Very high	30 Å²	30	28 Å²	28	21%	0.21	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-0.4	176	-60.6	0	0	0	0	113.9	K150 L152 Y153 L171 T175	K150-S173 WeakPolarHBondContact O-CB 3.27Å; K150-S173 PolarHBondContact O-OG 3.32Å; L152-S173 CarbonylContact O-C 3.4Å; L152-S173 WeakPolarHBondContact O-CB 3.35Å; Y153-S173 WeakPolarHBondContact CA-O 3.35Å; Y153-S173 WeakPolarHBondContact CB-O 3.36Å; L171-S173 PolarHBondContact O-N 2.99Å; S173-T175 PolarHBondContact O-N 2.96Å; S173-T175 VanDerWaalsContact O-N 3.15Å
174	L	93.6	Very high	93.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.152	C	C	.	.			trans	-64.2	114.1	-174.9	-162.8	67.9	0	0	0	111.1	L152 L155 L168 L171 E176 L177 V193 K195 L196	L152-L174 HydrophobicContact CD2-CD1 4.45Å; L152-L174 WeakPolarHBondContact O-CA 3.41Å; L152-L174 PolarHBondContact O-N 3.23Å; L152-L174 VanDerWaalsContact O-N 3.16Å; L155-L174 HydrophobicContact CB-CD1 3.75Å; L168-L174 HydrophobicContact CD2-CD2 4.33Å; L171-L174 HydrophobicContact CB-CB 4.07Å; L171-L174 HydrophobicContact CB-CD2 4.45Å; L171-L174 HydrophobicContact CD1-CD2 4.19Å; L171-L174 VanDerWaalsContact O-CB 3.3Å; L171-L174 WeakPolarHBondContact O-CB 3.44Å; L171-L174 PolarHBondContact O-N 3.1Å; L174-E176 WeakPolarHBondContact CD1-O 3.2Å; L174-L177 HydrophobicContact CD2-CB 4.14Å; L174-L177 HydrophobicContact CD2-CD1 4.49Å; L174-L177 HydrophobicContact CD2-CD2 4.48Å; L174-V193 HydrophobicContact CB-CB 4.46Å; L174-V193 HydrophobicContact CB-CG1 4.19Å; L174-V193 HydrophobicContact CD2-CG1 3.98Å; L174-K195 CarbonylContact O-C 3.59Å; L174-L196 HydrophobicContact CD2-CD1 4.14Å; L174-L196 HydrophobicContact CG-CD1 4Å; L174-L196 WeakPolarHBondContact O-CA 3.26Å; L174-L196 PolarHBondContact O-N 3.49Å
175	T	90.4	Very high	93.7	Very high	24 Å²	24	26 Å²	26	15%	0.147	16%	0.156	C	C	.	.			trans	-106.1	-27.6	174.8	56.1	0	0	0	0	112.4	Y153 S173 K195 I197 W198	Y153-T175 WeakPolarHBondContact CD2-OG1 3.05Å; Y153-T175 PolarHBondContact O-N 3.43Å; Y153-T175 PolarHBondContact O-OG1 3.08Å; Y153-T175 VanDerWaalsContact O-OG1 3.11Å; S173-T175 PolarHBondContact O-N 2.96Å; S173-T175 VanDerWaalsContact O-N 3.15Å; T175-K195 WeakPolarHBondContact CA-O 3.37Å; T175-K195 HydrophobicContact CG2-CB 4.36Å; T175-I197 HydrophobicContact CG2-CD1 4.2Å; T175-I197 PolarHBondContact O-N 2.95Å; T175-W198 PolarHBondContact O-N 3.42Å
176	E	89.7	Confident	93.6	Very high	12 Å²	12	29.5 Å²	29.5	6%	0.056	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	125	178.9	-58.9	-176.1	-154.7	0	0	111.3	Y153 C154 L155 L174 W198 I282 S283	Y153-E176 PolarHBondContact O-N 3.36Å; C154-E176 HydrophobicContact CB-CB 4.3Å; L155-E176 PolarHBondContact N-O 2.83Å; L174-E176 WeakPolarHBondContact CD1-O 3.2Å; E176-W198 HydrophobicContact CB-CB 4.46Å; E176-W198 HydrophobicContact CG-CB 4.16Å; E176-W198 HydrophobicContact CG-CG 4.3Å; E176-I282 VanDerWaalsContact CD-N 3.31Å; E176-I282 PolarHBondContact OE1-N 2.95Å; E176-I282 PolarHBondContact OE2-N 3.2Å; E176-S283 PolarHBondContact OE2-N 2.82Å
177	L	93.3	Very high	93.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	115.5	174.3	175.6	57.9	0	0	0	109.8	L155 V165 L168 L174 L179 L196 W198 I199 F200	L155-L177 HydrophobicContact CB-CD1 4.3Å; L155-L177 HydrophobicContact CD2-CD1 4.01Å; L155-L177 HydrophobicContact CG-CD1 4.18Å; V165-L177 HydrophobicContact CG1-CD2 4.49Å; L168-L177 HydrophobicContact CD1-CD2 3.59Å; L168-L177 HydrophobicContact CD2-CD1 4.3Å; L168-L177 HydrophobicContact CD2-CD2 4.25Å; L174-L177 HydrophobicContact CD2-CB 4.14Å; L174-L177 HydrophobicContact CD2-CD1 4.49Å; L174-L177 HydrophobicContact CD2-CD2 4.48Å; L177-L179 HydrophobicContact CD1-CD1 4.17Å; L177-L179 HydrophobicContact CD1-CD2 4.35Å; L177-L179 HydrophobicContact CD1-CG 4.05Å; L177-L179 HydrophobicContact CD2-CD1 3.87Å; L177-L179 HydrophobicContact CG-CD1 3.84Å; L177-L179 HydrophobicContact CG-CG 4.05Å; L177-L196 HydrophobicContact CB-CD1 3.68Å; L177-L196 HydrophobicContact CB-CD2 4.43Å; L177-L196 HydrophobicContact CD2-CD2 4.48Å; L177-W198 PolarHBondContact N-O 2.81Å; L177-I199 HydrophobicContact CB-CG1 4.39Å; L177-I199 HydrophobicContact CD2-CD1 4.19Å; L177-I199 HydrophobicContact CD2-CG1 4.36Å; L177-I199 HydrophobicContact CG-CG1 4.41Å; L177-I199 WeakPolarHBondContact O-CA 3.4Å; L177-F200 PolarHBondContact O-N 3.48Å
178	N	91.2	Very high	93.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	117.4	-178	-170.3	-7.5	0	0	0	111.6	L155 N156 L157 S158 R180 F200 S283 E287	L155-N178 PolarHBondContact O-N 3.48Å; N156-N178 HydrophobicContact CB-CB 4.45Å; N156-N178 WeakPolarHBondContact OD1-CB 3.37Å; N156-N178 VanDerWaalsContact OD1-CG 3.28Å; N156-N178 PolarHBondContact OD1-ND2 2.81Å; N156-N178 VanDerWaalsContact OD1-ND2 3.13Å; L157-N178 CarbonylContact C-O 3.56Å; L157-N178 WeakPolarHBondContact CA-O 3.47Å; L157-N178 PolarHBondContact N-O 3.45Å; S158-N178 PolarHBondContact N-O 2.83Å; N178-R180 WeakPolarHBondContact OD1-CG 3.3Å; N178-R180 PolarHBondContact OD1-N 3.11Å; N178-F200 HydrophobicContact CB-CB 4.47Å; N178-F200 HydrophobicContact CB-CD2 3.9Å; N178-F200 WeakPolarHBondContact OD1-CB 2.97Å; N178-S283 WeakPolarHBondContact CB-OG 3.48Å; N178-S283 WeakPolarHBondContact ND2-CB 3.49Å; N178-S283 PolarHBondContact ND2-O 3.24Å; N178-S283 PolarHBondContact ND2-OG 2.9Å; N178-E287 PolarHBondContact ND2-OE2 3.38Å
179	L	94.8	Very high	92.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.193	C	C	.	.			trans	-128.7	24.6	-176.1	-65.4	165.6	0	0	0	110.7	I143 L157 I162 V165 L177 N182 I184 F200 L201 N204	I143-L179 HydrophobicContact CD1-CD2 4.16Å; L157-L179 HydrophobicContact CB-CD2 3.96Å; L157-L179 HydrophobicContact CD1-CD2 4.34Å; I162-L179 HydrophobicContact CD1-CD2 3.98Å; V165-L179 HydrophobicContact CG1-CD1 4.04Å; V165-L179 HydrophobicContact CG2-CD1 3.92Å; L177-L179 HydrophobicContact CD1-CD1 4.17Å; L177-L179 HydrophobicContact CD1-CD2 4.35Å; L177-L179 HydrophobicContact CD1-CG 4.05Å; L177-L179 HydrophobicContact CD2-CD1 3.87Å; L177-L179 HydrophobicContact CG-CD1 3.84Å; L177-L179 HydrophobicContact CG-CG 4.05Å; L179-N182 PolarHBondContact O-ND2 3.08Å; L179-I184 HydrophobicContact CB-CD1 3.73Å; L179-I184 HydrophobicContact CD1-CD1 3.87Å; L179-I184 HydrophobicContact CD2-CD1 4.33Å; L179-I184 HydrophobicContact CG-CD1 4.19Å; L179-F200 CarbonylContact C-O 3.59Å; L179-F200 VanDerWaalsContact C-O 3.22Å; L179-F200 WeakPolarHBondContact CA-O 3.06Å; L179-F200 PolarHBondContact N-O 3.24Å; L179-L201 HydrophobicContact CB-CD2 4.43Å; L179-L201 HydrophobicContact CD1-CD2 4.31Å; L179-N204 PolarHBondContact O-ND2 3.4Å
180	R	91.4	Very high	92.7	Very high	24 Å²	24	32 Å²	32	9%	0.091	18%	0.176	C	C	.	.			trans	-57.6	149.8	177.3	-64.9	-157.6	-71.5	167.8	-12.4	111.3	S158 F159 N178 N182 F200 S202 E287	S158-R180 CarbonylContact C-O 3.42Å; S158-R180 WeakPolarHBondContact CA-O 3.48Å; S158-R180 WeakPolarHBondContact CB-O 3.3Å; F159-R180 PolarHBondContact N-O 3.07Å; N178-R180 WeakPolarHBondContact OD1-CG 3.3Å; N178-R180 PolarHBondContact OD1-N 3.11Å; R180-N182 PolarHBondContact O-N 2.93Å; R180-N182 PolarHBondContact O-ND2 2.81Å; R180-F200 HydrophobicContact CG-CB 3.68Å; R180-F200 PolarHBondContact N-O 3.13Å; R180-S202 CarbonylContact C-O 3.04Å; R180-S202 WeakPolarHBondContact CA-O 3.37Å; R180-E287 IonicContact CZ-OE1 3.52Å; R180-E287 IonicContact CZ-OE2 2.82Å; R180-E287 IonicContact NE-OE1 3.38Å; R180-E287 PolarHBondContact NE-OE1 3.08Å; R180-E287 IonicContact NE-OE2 2.64Å; R180-E287 PolarHBondContact NE-OE2 2.78Å; R180-E287 IonicContact NH2-OE1 2.74Å; R180-E287 IonicContact NH2-OE2 3.74Å; R180-E287 PolarHBondContact NH2-OE2 3.26Å
181	H	94.3	Very high	92.2	Very high	63 Å²	63	35.1 Å²	35.1	29%	0.292	19%	0.187	S	C	.	.	S	Bend	trans	51.2	58.7	176.6	-63.9	-87.1	0	0	0	113.2	F159 N160 S202 F203	F159-H181 VanDerWaalsContact CA-O 3.28Å; F159-H181 WeakPolarHBondContact CA-O 3.27Å; F159-H181 HydrophobicContact CB-CB 4.44Å; F159-H181 HydrophobicContact CD1-CB 3.55Å; F159-H181 AromaticContact CD1-CG 3.77Å; F159-H181 HydrophobicContact CD2-CB 4.13Å; F159-H181 HydrophobicContact CE1-CB 3.76Å; F159-H181 AromaticContact CE1-CD2 3.48Å; F159-H181 VanDerWaalsContact CE1-CD2 3.48Å; F159-H181 WeakPolarHBondContact CE1-CD2 3.44Å; F159-H181 AromaticContact CE1-CG 3.4Å; F159-H181 VanDerWaalsContact CE1-CG 3.4Å; F159-H181 AromaticContact CE1-ND1 3.78Å; F159-H181 AromaticContact CE1-NE2 3.93Å; F159-H181 HydrophobicContact CE2-CB 4.31Å; F159-H181 AromaticContact CE2-CD2 3.45Å; F159-H181 VanDerWaalsContact CE2-CD2 3.45Å; F159-H181 WeakPolarHBondContact CE2-CD2 3.38Å; F159-H181 HydrophobicContact CG-CB 3.76Å; F159-H181 HydrophobicContact CZ-CB 4.15Å; F159-H181 AromaticContact CZ-CD2 3.1Å; F159-H181 WeakPolarHBondContact CZ-CD2 3.47Å; F159-H181 AromaticContact CZ-CG 3.57Å; F159-H181 AromaticContact CZ-NE2 3.5Å; F159-H181 PolarHBondContact N-O 3Å; N160-H181 PolarHBondContact N-O 2.9Å; H181-S202 PolarHBondContact N-O 3.26Å; H181-F203 WeakPolarHBondContact CA-O 3.45Å; H181-F203 AromaticContact CD2-CD2 3.95Å; H181-F203 AromaticContact CE1-CD1 3.89Å; H181-F203 AromaticContact CE1-CD2 3.41Å; H181-F203 VanDerWaalsContact CE1-CD2 3.41Å; H181-F203 WeakPolarHBondContact CE1-CD2 3.07Å; H181-F203 AromaticContact CE1-CG 3.32Å; H181-F203 WeakPolarHBondContact CE1-CG 3.43Å; H181-F203 WeakPolarHBondContact ND1-CB 3.4Å; H181-F203 AromaticContact ND1-CG 3.84Å; H181-F203 AromaticContact NE2-CD2 3.19Å; H181-F203 WeakPolarHBondContact NE2-CD2 3.45Å; H181-F203 AromaticContact NE2-CE2 3.75Å; H181-F203 AromaticContact NE2-CG 3.63Å
182	N	96.8	Very high	91.8	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.016	20%	0.2	C	C	.	.	S	Bend	trans	-129.1	-176.9	175.4	-87.4	-88.7	0	0	0	110.3	L157 N160 Y161 I162 L179 R180 I184 N204	L157-N182 PolarHBondContact O-ND2 3.28Å; N160-N182 WeakPolarHBondContact CA-OD1 3.22Å; N160-N182 VanDerWaalsContact CB-OD1 3.32Å; N160-N182 WeakPolarHBondContact CB-OD1 3.5Å; N160-N182 PolarHBondContact O-OD1 3Å; Y161-N182 PolarHBondContact N-OD1 2.9Å; I162-N182 HydrophobicContact CB-CB 4.47Å; I162-N182 VanDerWaalsContact CB-OD1 3.28Å; I162-N182 WeakPolarHBondContact CB-OD1 3.42Å; I162-N182 WeakPolarHBondContact CG1-OD1 3.49Å; I162-N182 PolarHBondContact N-OD1 3.45Å; L179-N182 PolarHBondContact O-ND2 3.08Å; R180-N182 PolarHBondContact O-N 2.93Å; R180-N182 PolarHBondContact O-ND2 2.81Å; N182-I184 HydrophobicContact CB-CD1 4.29Å; N182-I184 HydrophobicContact CB-CG1 4.27Å; N182-N204 WeakPolarHBondContact CA-OD1 3.24Å; N182-N204 WeakPolarHBondContact CB-OD1 3.32Å; N182-N204 PolarHBondContact O-OD1 2.97Å
183	N	97.5	Very high	91.7	Very high	59 Å²	59	33.6 Å²	33.6	32%	0.316	18%	0.179	S	C	.	.			trans	-99	21.6	-176.9	-64.5	-45.2	0	0	0	113.3	Y161 I162 T163 L185	Y161-N183 WeakPolarHBondContact CA-ND2 3.3Å; Y161-N183 PolarHBondContact O-ND2 3.38Å; Y161-N183 VanDerWaalsContact O-ND2 3.17Å; I162-N183 CarbonylContact O-C 3.27Å; I162-N183 VanDerWaalsContact O-C 3.27Å; I162-N183 VanDerWaalsContact O-CA 3.27Å; I162-N183 WeakPolarHBondContact O-CA 3.22Å; I162-N183 WeakPolarHBondContact O-CB 3.18Å; I162-N183 PolarHBondContact O-N 2.92Å; T163-N183 HydrophobicContact CG2-CB 3.73Å; N183-L185 PolarHBondContact O-N 3.16Å
184	I	97.1	Very high	91.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.189	C	C	.	.			trans	-68.3	126.3	-169.7	-60	162.8	0	0	0	111	I162 V165 L179 N182 I187 L201 N204 H205	I162-I184 HydrophobicContact CG2-CG1 4.48Å; I162-I184 PolarHBondContact O-N 2.78Å; V165-I184 HydrophobicContact CG2-CD1 3.67Å; V165-I184 HydrophobicContact CG2-CG1 4.12Å; V165-I184 HydrophobicContact CG2-CG2 3.96Å; L179-I184 HydrophobicContact CB-CD1 3.73Å; L179-I184 HydrophobicContact CD1-CD1 3.87Å; L179-I184 HydrophobicContact CD2-CD1 4.33Å; L179-I184 HydrophobicContact CG-CD1 4.19Å; N182-I184 HydrophobicContact CB-CD1 4.29Å; N182-I184 HydrophobicContact CB-CG1 4.27Å; I184-I187 HydrophobicContact CG2-CG1 4.29Å; I184-L201 HydrophobicContact CD1-CD2 4.42Å; I184-N204 HydrophobicContact CB-CB 4.18Å; I184-N204 VanDerWaalsContact CB-OD1 3.23Å; I184-N204 WeakPolarHBondContact CB-OD1 3.46Å; I184-N204 WeakPolarHBondContact CG1-OD1 3.29Å; I184-N204 PolarHBondContact N-OD1 2.87Å; I184-H205 CarbonylContact O-C 3.54Å; I184-H205 WeakPolarHBondContact O-CA 3.49Å; I184-H205 PolarHBondContact O-N 3.31Å
185	L	95.1	Very high	91.1	Very high	85 Å²	85	40.2 Å²	40.2	45%	0.445	21%	0.211	S	C	.	.			trans	-106.6	-24.4	176.6	-74.8	163.5	0	0	0	113.2	N183 H205 Q211	N183-L185 PolarHBondContact O-N 3.16Å; L185-H205 HydrophobicContact CD2-CB 3.56Å; L185-H205 HydrophobicContact CG-CB 4.14Å; L185-Q211 WeakPolarHBondContact O-CB 3.4Å; L185-Q211 PolarHBondContact O-NE2 3.33Å
186	L	92.6	Very high	91	Very high	77 Å²	77	39.2 Å²	39.2	40%	0.403	21%	0.205	S	C	.	.	B	Isolated β-bridge	trans	-153.9	140.9	-173.4	174.8	62.4	0	0	0	109.4	E188 Q211	L186-E188 HydrophobicContact CD2-CG 4.49Å; L186-Q211 WeakPolarHBondContact CA-O 3.28Å; L186-Q211 HydrophobicContact CD1-CB 4.36Å
187	I	90.5	Very high	90.7	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	22%	0.215	C	C	.	.			trans	-109.6	111.4	168.1	-53.3	178.4	0	0	0	107.7	V165 I184 I190 L201 Q211 I212 G214 L215	V165-I187 HydrophobicContact CG2-CG1 4.24Å; I184-I187 HydrophobicContact CG2-CG1 4.29Å; I187-I190 HydrophobicContact CG2-CG2 4.46Å; I187-L201 HydrophobicContact CD1-CD1 3.38Å; I187-L201 HydrophobicContact CD1-CD2 3.62Å; I187-L201 HydrophobicContact CD1-CG 4.13Å; I187-Q211 PolarHBondContact N-O 2.95Å; I187-I212 HydrophobicContact CD1-CB 4.28Å; I187-I212 HydrophobicContact CD1-CG2 3.77Å; I187-I212 HydrophobicContact CG1-CG2 4.24Å; I187-G214 PolarHBondContact O-N 2.99Å; I187-L215 HydrophobicContact CD1-CD1 4.14Å; I187-L215 HydrophobicContact CD1-CD2 4.2Å; I187-L215 HydrophobicContact CD1-CG 4.21Å; I187-L215 HydrophobicContact CG2-CD2 3.88Å; I187-L215 HydrophobicContact CG2-CG 4.29Å
188	E	88.5	Confident	90.2	Very high	94 Å²	94	43.4 Å²	43.4	44%	0.439	22%	0.223	S	C	.	.			trans	-70.9	164.8	170.2	-62.4	-179.5	170.1	0	0	110.1	L186 I190	L186-E188 HydrophobicContact CD2-CG 4.49Å; E188-I190 PolarHBondContact O-N 3.03Å; E188-I190 VanDerWaalsContact O-N 3.15Å
189	P	87.1	Confident	90.1	Very high	90 Å²	90	43.4 Å²	43.4	58%	0.584	22%	0.224	S	C	*	.			trans	-57.3	117.8	179.2	-26.5	36.4	0	0	0	113.1
190	I	87.4	Confident	89.8	Confident	4 Å²	4	43.7 Å²	43.7	2%	0.021	23%	0.225	C	C	.	.			trans	-104.9	42.9	-179.5	58.2	167.4	0	0	0	112.5	V165 L168 I187 E188 N192 V193 L196 I199 G214 L215 L218	V165-I190 HydrophobicContact CG1-CG2 4.33Å; L168-I190 HydrophobicContact CD1-CG2 4.14Å; I187-I190 HydrophobicContact CG2-CG2 4.46Å; E188-I190 PolarHBondContact O-N 3.03Å; E188-I190 VanDerWaalsContact O-N 3.15Å; I190-N192 PolarHBondContact O-N 3.42Å; I190-N192 PolarHBondContact O-OD1 2.99Å; I190-V193 HydrophobicContact CB-CG2 4.06Å; I190-V193 HydrophobicContact CD1-CG2 4.05Å; I190-V193 HydrophobicContact CG1-CG2 4.28Å; I190-V193 VanDerWaalsContact O-CG2 3.26Å; I190-V193 WeakPolarHBondContact O-CG2 3.29Å; I190-V193 PolarHBondContact O-N 2.82Å; I190-L196 HydrophobicContact CD1-CD2 3.9Å; I190-I199 HydrophobicContact CD1-CD1 4.27Å; I190-G214 PolarHBondContact N-O 3.46Å; I190-L215 HydrophobicContact CD1-CD2 3.62Å; I190-L215 HydrophobicContact CG1-CD2 4.1Å; I190-L218 HydrophobicContact CD1-CD1 4.3Å; I190-L218 HydrophobicContact CG1-CD2 4.35Å
191	D	82.7	Confident	89.8	Confident	89 Å²	89	42.6 Å²	42.6	48%	0.476	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-17	178.7	-54.5	-2.4	0	0	0	113.1	V193 N217	D191-V193 VanDerWaalsContact C-N 3.34Å; D191-N217 VanDerWaalsContact CG-ND2 3.28Å; D191-N217 WeakPolarHBondContact OD1-CB 3.33Å; D191-N217 PolarHBondContact OD1-ND2 3.44Å; D191-N217 PolarHBondContact OD2-ND2 3.42Å
192	N	86.3	Confident	89.5	Confident	50 Å²	50	39.6 Å²	39.6	27%	0.267	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-8.4	-179.1	58.9	1.9	0	0	0	115.1	S169 I190 P194	S169-N192 WeakPolarHBondContact CA-ND2 3.43Å; S169-N192 PolarHBondContact N-ND2 3.07Å; S169-N192 PolarHBondContact OG-ND2 3.15Å; I190-N192 PolarHBondContact O-N 3.42Å; I190-N192 PolarHBondContact O-OD1 2.99Å; N192-P194 VanDerWaalsContact O-CD 3.27Å; N192-P194 WeakPolarHBondContact O-CD 3.45Å
193	V	91	Very high	89.3	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.225	C	C	.	.			trans	-116.1	66.4	174.6	-70.9	0	0	0	0	111.7	L168 L171 L174 I190 D191 K195 L196 L218	L168-V193 HydrophobicContact CB-CG1 3.92Å; L171-V193 HydrophobicContact CB-CG1 4Å; L174-V193 HydrophobicContact CB-CB 4.46Å; L174-V193 HydrophobicContact CB-CG1 4.19Å; L174-V193 HydrophobicContact CD2-CG1 3.98Å; I190-V193 HydrophobicContact CB-CG2 4.06Å; I190-V193 HydrophobicContact CD1-CG2 4.05Å; I190-V193 HydrophobicContact CG1-CG2 4.28Å; I190-V193 VanDerWaalsContact O-CG2 3.26Å; I190-V193 WeakPolarHBondContact O-CG2 3.29Å; I190-V193 PolarHBondContact O-N 2.82Å; D191-V193 VanDerWaalsContact C-N 3.34Å; V193-K195 PolarHBondContact O-N 3.28Å; V193-L196 HydrophobicContact CB-CB 4.43Å; V193-L196 HydrophobicContact CG2-CB 4.19Å; V193-L196 HydrophobicContact CG2-CD2 4.18Å; V193-L196 WeakPolarHBondContact O-CB 3.39Å; V193-L196 PolarHBondContact O-N 2.82Å; V193-L196 VanDerWaalsContact O-N 3.1Å; V193-L218 HydrophobicContact CG2-CD2 4.42Å
194	P	87.1	Confident	89.2	Confident	64 Å²	64	41.2 Å²	41.2	42%	0.416	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-13	-168	27.7	-37.7	0	0	0	115.1	N192	N192-P194 VanDerWaalsContact O-CD 3.27Å; N192-P194 WeakPolarHBondContact O-CD 3.45Å
195	K	88.9	Confident	89.1	Confident	106 Å²	106	45.5 Å²	45.5	46%	0.461	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	6.6	177.8	-63.1	-165.7	-165.8	173.7	0	114.2	I172 L174 T175 V193 I197	I172-K195 WeakPolarHBondContact O-CD 3.26Å; I172-K195 WeakPolarHBondContact O-CE 3.16Å; I172-K195 WeakPolarHBondContact O-CG 3.44Å; L174-K195 CarbonylContact O-C 3.59Å; T175-K195 WeakPolarHBondContact CA-O 3.37Å; T175-K195 HydrophobicContact CG2-CB 4.36Å; V193-K195 PolarHBondContact O-N 3.28Å; K195-I197 PolarHBondContact O-N 3.22Å
196	L	87.2	Confident	89	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.01	21%	0.21	C	C	.	.			trans	-67.9	123.5	-174.6	-165.9	71.1	0	0	0	111.9	L174 L177 I190 V193 I199 L218	L174-L196 HydrophobicContact CD2-CD1 4.14Å; L174-L196 HydrophobicContact CG-CD1 4Å; L174-L196 WeakPolarHBondContact O-CA 3.26Å; L174-L196 PolarHBondContact O-N 3.49Å; L177-L196 HydrophobicContact CB-CD1 3.68Å; L177-L196 HydrophobicContact CB-CD2 4.43Å; L177-L196 HydrophobicContact CD2-CD2 4.48Å; I190-L196 HydrophobicContact CD1-CD2 3.9Å; V193-L196 HydrophobicContact CB-CB 4.43Å; V193-L196 HydrophobicContact CG2-CB 4.19Å; V193-L196 HydrophobicContact CG2-CD2 4.18Å; V193-L196 WeakPolarHBondContact O-CB 3.39Å; V193-L196 PolarHBondContact O-N 2.82Å; V193-L196 VanDerWaalsContact O-N 3.1Å; L196-I199 HydrophobicContact CD2-CB 4.16Å; L196-I199 HydrophobicContact CD2-CD1 4.23Å; L196-I199 HydrophobicContact CD2-CG1 4.48Å; L196-L218 HydrophobicContact CB-CD1 4.48Å; L196-L218 HydrophobicContact CB-CD2 4.39Å; L196-L218 HydrophobicContact CD2-CD1 4.11Å
197	I	83.3	Confident	89.1	Confident	52 Å²	52	43.9 Å²	43.9	27%	0.267	22%	0.217	S	C	.	.			trans	-113.7	-36.3	-178.7	-63.6	166.7	0	0	0	110.8	T175 K195 L220 A222 Q223	T175-I197 HydrophobicContact CG2-CD1 4.2Å; T175-I197 PolarHBondContact O-N 2.95Å; K195-I197 PolarHBondContact O-N 3.22Å; I197-L220 HydrophobicContact CD1-CD1 4.34Å; I197-L220 HydrophobicContact CG1-CB 4.24Å; I197-L220 HydrophobicContact CG1-CD1 3.97Å; I197-A222 CarbonylContact O-C 3.42Å; I197-A222 VanDerWaalsContact O-CA 3.32Å; I197-A222 WeakPolarHBondContact O-CA 3.43Å; I197-Q223 PolarHBondContact O-N 3.48Å
198	W	84.1	Confident	89.1	Confident	48 Å²	48	45.8 Å²	45.8	18%	0.182	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126.7	-178	-60.6	94	0	0	0	110.7	T175 E176 L177 F200 Q223 N279 P281	T175-W198 PolarHBondContact O-N 3.42Å; E176-W198 HydrophobicContact CB-CB 4.46Å; E176-W198 HydrophobicContact CG-CB 4.16Å; E176-W198 HydrophobicContact CG-CG 4.3Å; L177-W198 PolarHBondContact N-O 2.81Å; W198-F200 HydrophobicContact CB-CE2 3.71Å; W198-F200 HydrophobicContact CB-CZ 3.81Å; W198-F200 HydrophobicContact CD2-CZ 4.24Å; W198-F200 HydrophobicContact CE3-CE1 4.19Å; W198-F200 AromaticContact CE3-CZ 3.8Å; W198-F200 HydrophobicContact CE3-CZ 3.8Å; W198-F200 HydrophobicContact CG-CZ 4.3Å; W198-Q223 HydrophobicContact CD2-CB 4.09Å; W198-Q223 HydrophobicContact CE3-CB 3.5Å; W198-Q223 VanDerWaalsContact CE3-CB 3.5Å; W198-Q223 HydrophobicContact CE3-CG 4.23Å; W198-Q223 VanDerWaalsContact CH2-NE2 3.29Å; W198-Q223 HydrophobicContact CZ3-CB 3.76Å; W198-Q223 VanDerWaalsContact CZ3-CD 3.45Å; W198-Q223 HydrophobicContact CZ3-CG 4.2Å; W198-N279 WeakPolarHBondContact CZ2-O 3.35Å; W198-P281 HydrophobicContact CD2-CB 4.35Å; W198-P281 HydrophobicContact CD2-CG 3.57Å; W198-P281 HydrophobicContact CE3-CG 3.57Å; W198-P281 HydrophobicContact CG-CB 4.48Å; W198-P281 HydrophobicContact CG-CG 4.19Å; W198-P281 HydrophobicContact CH2-CG 3.77Å; W198-P281 HydrophobicContact CZ2-CG 3.78Å; W198-P281 HydrophobicContact CZ3-CG 3.68Å
199	I	89.1	Confident	88.9	Confident	1 Å²	1	42 Å²	42	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	114.5	172.6	-165.9	178.9	0	0	0	111.5	L177 I190 L196 L201 L215 Q223 V224 T225	L177-I199 HydrophobicContact CB-CG1 4.39Å; L177-I199 HydrophobicContact CD2-CD1 4.19Å; L177-I199 HydrophobicContact CD2-CG1 4.36Å; L177-I199 HydrophobicContact CG-CG1 4.41Å; L177-I199 WeakPolarHBondContact O-CA 3.4Å; I190-I199 HydrophobicContact CD1-CD1 4.27Å; L196-I199 HydrophobicContact CD2-CB 4.16Å; L196-I199 HydrophobicContact CD2-CD1 4.23Å; L196-I199 HydrophobicContact CD2-CG1 4.48Å; I199-L201 HydrophobicContact CD1-CD1 4.33Å; I199-L201 HydrophobicContact CD1-CD2 4.14Å; I199-L201 HydrophobicContact CD1-CG 4.34Å; I199-L201 HydrophobicContact CG1-CD1 4.47Å; I199-L201 HydrophobicContact CG1-CD2 4.22Å; I199-L201 HydrophobicContact CG1-CG 4.14Å; I199-L215 HydrophobicContact CD1-CD2 3.77Å; I199-L215 HydrophobicContact CG2-CD1 4.35Å; I199-Q223 PolarHBondContact N-O 3.17Å; I199-V224 HydrophobicContact CG2-CB 4.31Å; I199-V224 HydrophobicContact CG2-CG1 4.09Å; I199-V224 HydrophobicContact CG2-CG2 3.92Å; I199-V224 WeakPolarHBondContact O-CA 3.1Å; I199-T225 PolarHBondContact O-N 3.3Å
200	F	88.3	Confident	89	Confident	6 Å²	6	41.5 Å²	41.5	3%	0.026	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	105.7	-176.8	-52.9	-83.3	0	0	0	109.9	L177 N178 L179 R180 W198 T225 P281 S283	L177-F200 PolarHBondContact O-N 3.48Å; N178-F200 HydrophobicContact CB-CB 4.47Å; N178-F200 HydrophobicContact CB-CD2 3.9Å; N178-F200 WeakPolarHBondContact OD1-CB 2.97Å; L179-F200 CarbonylContact C-O 3.59Å; L179-F200 VanDerWaalsContact C-O 3.22Å; L179-F200 WeakPolarHBondContact CA-O 3.06Å; L179-F200 PolarHBondContact N-O 3.24Å; R180-F200 HydrophobicContact CG-CB 3.68Å; R180-F200 PolarHBondContact N-O 3.13Å; W198-F200 HydrophobicContact CB-CE2 3.71Å; W198-F200 HydrophobicContact CB-CZ 3.81Å; W198-F200 HydrophobicContact CD2-CZ 4.24Å; W198-F200 HydrophobicContact CE3-CE1 4.19Å; W198-F200 AromaticContact CE3-CZ 3.8Å; W198-F200 HydrophobicContact CE3-CZ 3.8Å; W198-F200 HydrophobicContact CG-CZ 4.3Å; F200-T225 WeakPolarHBondContact CA-OG1 3.32Å; F200-T225 HydrophobicContact CD1-CG2 3.68Å; F200-T225 HydrophobicContact CE1-CG2 4.04Å; F200-P281 HydrophobicContact CE1-CG 4.39Å; F200-P281 HydrophobicContact CE2-CB 4.05Å; F200-P281 HydrophobicContact CZ-CB 3.58Å; F200-P281 HydrophobicContact CZ-CG 3.62Å; F200-S283 WeakPolarHBondContact CD2-OG 3.3Å; F200-S283 WeakPolarHBondContact CE2-OG 3.44Å
201	L	91.2	Very high	89.1	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.			trans	-106.4	12.9	-180	-58.7	160.7	0	0	0	111.4	L179 I184 I187 I199 F203 N204 I206 L215 V224 T225 L226 N229	L179-L201 HydrophobicContact CB-CD2 4.43Å; L179-L201 HydrophobicContact CD1-CD2 4.31Å; I184-L201 HydrophobicContact CD1-CD2 4.42Å; I187-L201 HydrophobicContact CD1-CD1 3.38Å; I187-L201 HydrophobicContact CD1-CD2 3.62Å; I187-L201 HydrophobicContact CD1-CG 4.13Å; I199-L201 HydrophobicContact CD1-CD1 4.33Å; I199-L201 HydrophobicContact CD1-CD2 4.14Å; I199-L201 HydrophobicContact CD1-CG 4.34Å; I199-L201 HydrophobicContact CG1-CD1 4.47Å; I199-L201 HydrophobicContact CG1-CD2 4.22Å; I199-L201 HydrophobicContact CG1-CG 4.14Å; L201-F203 PolarHBondContact O-N 3.18Å; L201-N204 PolarHBondContact O-N 3.47Å; L201-N204 PolarHBondContact O-ND2 2.64Å; L201-I206 HydrophobicContact CB-CD1 4Å; L201-I206 HydrophobicContact CD1-CD1 4.27Å; L201-L215 HydrophobicContact CD1-CD1 4.15Å; L201-V224 HydrophobicContact CD1-CG1 3.91Å; L201-T225 CarbonylContact C-O 3.57Å; L201-T225 WeakPolarHBondContact CA-O 3.27Å; L201-T225 WeakPolarHBondContact CB-O 3.33Å; L201-T225 PolarHBondContact N-O 3.16Å; L201-L226 HydrophobicContact CB-CD2 4.07Å; L201-L226 HydrophobicContact CD1-CD2 4.1Å; L201-N229 PolarHBondContact O-ND2 2.92Å
202	S	87.6	Confident	89.3	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-32.2	123.6	172.6	60.6	0	0	0	0	113	R180 H181 N204 T225 L226 D227 L257	R180-S202 CarbonylContact C-O 3.04Å; R180-S202 WeakPolarHBondContact CA-O 3.37Å; H181-S202 PolarHBondContact N-O 3.26Å; S202-N204 PolarHBondContact O-N 2.83Å; S202-N204 PolarHBondContact O-ND2 2.66Å; S202-T225 PolarHBondContact N-O 2.9Å; S202-T225 VanDerWaalsContact OG-CB 3.27Å; S202-T225 WeakPolarHBondContact OG-CB 3.24Å; S202-T225 PolarHBondContact OG-OG1 3.24Å; S202-L226 PolarHBondContact OG-N 3.09Å; S202-D227 VanDerWaalsContact CB-N 3.29Å; S202-D227 WeakPolarHBondContact CB-O 3.37Å; S202-D227 PolarHBondContact OG-N 3.34Å; S202-L257 WeakPolarHBondContact OG-CD1 3.32Å
203	F	92.7	Very high	89.2	Confident	92 Å²	92	39.3 Å²	39.3	40%	0.404	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	53.1	171.9	-53.8	-89.5	0	0	0	114.7	H181 L201 D227 N229	H181-F203 WeakPolarHBondContact CA-O 3.45Å; H181-F203 AromaticContact CD2-CD2 3.95Å; H181-F203 AromaticContact CE1-CD1 3.89Å; H181-F203 AromaticContact CE1-CD2 3.41Å; H181-F203 VanDerWaalsContact CE1-CD2 3.41Å; H181-F203 WeakPolarHBondContact CE1-CD2 3.07Å; H181-F203 AromaticContact CE1-CG 3.32Å; H181-F203 WeakPolarHBondContact CE1-CG 3.43Å; H181-F203 WeakPolarHBondContact ND1-CB 3.4Å; H181-F203 AromaticContact ND1-CG 3.84Å; H181-F203 AromaticContact NE2-CD2 3.19Å; H181-F203 WeakPolarHBondContact NE2-CD2 3.45Å; H181-F203 AromaticContact NE2-CE2 3.75Å; H181-F203 AromaticContact NE2-CG 3.63Å; L201-F203 PolarHBondContact O-N 3.18Å; F203-D227 PolarHBondContact N-O 3.04Å; F203-N229 PolarHBondContact N-ND2 3.04Å
204	N	94.4	Very high	88.9	Confident	5 Å²	5	39.4 Å²	39.4	3%	0.027	20%	0.204	C	C	.	.	S	Bend	trans	-111.1	-165.8	167.6	-80.8	-90.3	0	0	0	110.3	L179 N182 I184 L201 S202 I206 N229	L179-N204 PolarHBondContact O-ND2 3.4Å; N182-N204 WeakPolarHBondContact CA-OD1 3.24Å; N182-N204 WeakPolarHBondContact CB-OD1 3.32Å; N182-N204 PolarHBondContact O-OD1 2.97Å; I184-N204 HydrophobicContact CB-CB 4.18Å; I184-N204 VanDerWaalsContact CB-OD1 3.23Å; I184-N204 WeakPolarHBondContact CB-OD1 3.46Å; I184-N204 WeakPolarHBondContact CG1-OD1 3.29Å; I184-N204 PolarHBondContact N-OD1 2.87Å; L201-N204 PolarHBondContact O-N 3.47Å; L201-N204 PolarHBondContact O-ND2 2.64Å; S202-N204 PolarHBondContact O-N 2.83Å; S202-N204 PolarHBondContact O-ND2 2.66Å; N204-I206 HydrophobicContact CB-CD1 4.42Å; N204-I206 HydrophobicContact CB-CG1 4.47Å; N204-N229 WeakPolarHBondContact CA-OD1 3.34Å; N204-N229 WeakPolarHBondContact CB-OD1 3.27Å; N204-N229 PolarHBondContact N-ND2 2.91Å; N204-N229 PolarHBondContact N-OD1 3.15Å; N204-N229 PolarHBondContact O-OD1 2.8Å; N204-N229 VanDerWaalsContact O-OD1 3.05Å
205	H	96.2	Very high	88.8	Confident	89 Å²	89	36.6 Å²	36.6	41%	0.412	19%	0.185	S	C	.	.			trans	-106.2	21.8	-174.3	-65.2	78	0	0	0	113.6	I184 L185 K207 N229	I184-H205 CarbonylContact O-C 3.54Å; I184-H205 WeakPolarHBondContact O-CA 3.49Å; I184-H205 PolarHBondContact O-N 3.31Å; L185-H205 HydrophobicContact CD2-CB 3.56Å; L185-H205 HydrophobicContact CG-CB 4.14Å; H205-K207 VanDerWaalsContact O-CG 3.29Å; H205-K207 WeakPolarHBondContact O-CG 3.38Å; H205-N229 PolarHBondContact N-OD1 3.24Å
206	I	93.6	Very high	88.3	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.			trans	-69.5	128	-178	-58.7	162.2	0	0	0	110.3	L201 N204 Q211 I212 L226 N229 P230 I231	L201-I206 HydrophobicContact CB-CD1 4Å; L201-I206 HydrophobicContact CD1-CD1 4.27Å; N204-I206 HydrophobicContact CB-CD1 4.42Å; N204-I206 HydrophobicContact CB-CG1 4.47Å; I206-Q211 HydrophobicContact CG2-CB 4.24Å; I206-I212 HydrophobicContact CD1-CG2 3.79Å; I206-I212 HydrophobicContact CG1-CG2 4.28Å; I206-I212 HydrophobicContact CG2-CG2 3.76Å; I206-L226 HydrophobicContact CD1-CD2 3.94Å; I206-N229 HydrophobicContact CB-CB 4.17Å; I206-N229 VanDerWaalsContact CB-OD1 3.26Å; I206-N229 WeakPolarHBondContact CB-OD1 3.34Å; I206-N229 WeakPolarHBondContact CG1-OD1 3.42Å; I206-N229 PolarHBondContact N-OD1 2.85Å; I206-P230 WeakPolarHBondContact O-CD 3.47Å; I206-I231 HydrophobicContact CG2-CB 4.39Å; I206-I231 HydrophobicContact CG2-CD1 4.18Å; I206-I231 HydrophobicContact CG2-CG2 4.28Å; I206-I231 PolarHBondContact O-N 3.25Å
207	K	93.2	Very high	87.6	Confident	128 Å²	128	37.6 Å²	37.6	56%	0.557	20%	0.197	S	C	*	.			trans	-115	-28.1	-173.2	-44.7	-172.6	178.9	173.8	0	114.1	H205 Q211 P230	H205-K207 VanDerWaalsContact O-CG 3.29Å; H205-K207 WeakPolarHBondContact O-CG 3.38Å; K207-Q211 VanDerWaalsContact CA-OE1 3.25Å; K207-Q211 VanDerWaalsContact CB-OE1 3.26Å; K207-P230 HydrophobicContact CB-CB 4.35Å; K207-P230 HydrophobicContact CG-CB 4.04Å; K207-P230 HydrophobicContact CG-CG 4.23Å
208	S	91.3	Very high	87.1	Confident	41 Å²	41	35.5 Å²	35.5	29%	0.287	19%	0.187	S	C	.	.	S	Bend	trans	-145.1	157.4	-177.9	61.2	0	0	0	0	112.9	S210 Q211 I231	S208-S210 PolarHBondContact O-N 2.88Å; S208-S210 PolarHBondContact OG-OG 2.9Å; S208-Q211 WeakPolarHBondContact O-CB 3.26Å; S208-Q211 PolarHBondContact O-N 3.36Å; S208-Q211 PolarHBondContact OG-OE1 3.45Å; S208-I231 VanDerWaalsContact C-CD1 3.48Å
209	W	85.1	Confident	85.9	Confident	16 Å²	16	39 Å²	39	6%	0.061	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-57.9	-31.3	-179.7	-60.2	108.7	0	0	0	114.1	Q211 I212 S213 L226 I231 T236 Y237 M240 F247 F248	W209-Q211 PolarHBondContact O-N 2.79Å; W209-I212 HydrophobicContact CE3-CD1 3.75Å; W209-I212 HydrophobicContact CE3-CG1 4.26Å; W209-I212 HydrophobicContact CZ3-CD1 3.82Å; W209-I212 WeakPolarHBondContact O-CG1 3.19Å; W209-I212 PolarHBondContact O-N 3.39Å; W209-I212 VanDerWaalsContact O-N 3.09Å; W209-S213 PolarHBondContact O-N 3.09Å; W209-L226 HydrophobicContact CH2-CD1 4.08Å; W209-L226 HydrophobicContact CZ3-CD1 3.75Å; W209-I231 HydrophobicContact CD2-CD1 3.64Å; W209-I231 HydrophobicContact CE3-CD1 3.72Å; W209-I231 HydrophobicContact CG-CD1 4.17Å; W209-I231 HydrophobicContact CH2-CD1 4.06Å; W209-I231 HydrophobicContact CZ2-CD1 3.96Å; W209-I231 HydrophobicContact CZ2-CG1 4.21Å; W209-I231 HydrophobicContact CZ3-CD1 3.94Å; W209-T236 PolarHBondContact NE1-OG1 2.97Å; W209-Y237 AromaticContact CH2-CD2 3.69Å; W209-Y237 HydrophobicContact CH2-CD2 3.69Å; W209-Y237 HydrophobicContact CH2-CE2 4.32Å; W209-Y237 AromaticContact CZ2-CD2 3.91Å; W209-Y237 HydrophobicContact CZ2-CD2 3.91Å; W209-M240 HydrophobicContact CD2-CE 3.44Å; W209-M240 VanDerWaalsContact CD2-CE 3.44Å; W209-M240 HydrophobicContact CE3-CE 3.32Å; W209-M240 HydrophobicContact CG-CE 4.31Å; W209-M240 HydrophobicContact CH2-CB 4.13Å; W209-M240 HydrophobicContact CH2-CE 3.45Å; W209-M240 VanDerWaalsContact CH2-CE 3.45Å; W209-M240 HydrophobicContact CH2-CG 4.11Å; W209-M240 HydrophobicContact CZ2-CB 4.31Å; W209-M240 HydrophobicContact CZ2-CE 3.57Å; W209-M240 HydrophobicContact CZ3-CE 3.32Å; W209-M240 HydrophobicContact CZ3-CG 4.43Å; W209-F247 HydrophobicContact CB-CD1 3.54Å; W209-F247 HydrophobicContact CB-CE1 3.8Å; W209-F247 HydrophobicContact CB-CG 4.1Å; W209-F247 AromaticContact CG-CD1 3.97Å; W209-F247 HydrophobicContact CG-CD1 3.97Å; W209-F247 HydrophobicContact CG-CD2 4.46Å; W209-F247 HydrophobicContact CG-CE1 4.12Å; W209-F247 HydrophobicContact CG-CG 4.13Å; W209-F247 HydrophobicContact CG-CZ 4.41Å; W209-F248 HydrophobicContact CE3-CE2 4.44Å; W209-F248 HydrophobicContact CZ3-CE2 4.27Å
210	S	87.7	Confident	84.3	Confident	78 Å²	78	42.4 Å²	42.4	55%	0.545	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-57.7	-29.7	173.7	50.6	0	0	0	0	113.2	S208 I212 S213	S208-S210 PolarHBondContact O-N 2.88Å; S208-S210 PolarHBondContact OG-OG 2.9Å; S210-I212 VanDerWaalsContact C-N 3.26Å; S210-I212 PolarHBondContact O-N 2.9Å; S210-S213 WeakPolarHBondContact O-CB 3.08Å; S210-S213 PolarHBondContact O-N 3.19Å; S210-S213 PolarHBondContact O-OG 2.82Å
211	Q	89.9	Confident	82.6	Confident	36 Å²	36	48 Å²	48	17%	0.168	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-77.8	-6	179.6	-65.3	173.6	-75.2	0	0	113.9	L185 L186 I187 I206 K207 S208 W209	L185-Q211 WeakPolarHBondContact O-CB 3.4Å; L185-Q211 PolarHBondContact O-NE2 3.33Å; L186-Q211 WeakPolarHBondContact CA-O 3.28Å; L186-Q211 HydrophobicContact CD1-CB 4.36Å; I187-Q211 PolarHBondContact N-O 2.95Å; I206-Q211 HydrophobicContact CG2-CB 4.24Å; K207-Q211 VanDerWaalsContact CA-OE1 3.25Å; K207-Q211 VanDerWaalsContact CB-OE1 3.26Å; S208-Q211 WeakPolarHBondContact O-CB 3.26Å; S208-Q211 PolarHBondContact O-N 3.36Å; S208-Q211 PolarHBondContact OG-OE1 3.45Å; W209-Q211 PolarHBondContact O-N 2.79Å
212	I	87.7	Confident	81.1	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-122.7	16.2	171.6	65.1	-179.3	0	0	0	112.7	I187 I206 W209 S210 G214 L215 L226 F248	I187-I212 HydrophobicContact CD1-CB 4.28Å; I187-I212 HydrophobicContact CD1-CG2 3.77Å; I187-I212 HydrophobicContact CG1-CG2 4.24Å; I206-I212 HydrophobicContact CD1-CG2 3.79Å; I206-I212 HydrophobicContact CG1-CG2 4.28Å; I206-I212 HydrophobicContact CG2-CG2 3.76Å; W209-I212 HydrophobicContact CE3-CD1 3.75Å; W209-I212 HydrophobicContact CE3-CG1 4.26Å; W209-I212 HydrophobicContact CZ3-CD1 3.82Å; W209-I212 WeakPolarHBondContact O-CG1 3.19Å; W209-I212 PolarHBondContact O-N 3.39Å; W209-I212 VanDerWaalsContact O-N 3.09Å; S210-I212 VanDerWaalsContact C-N 3.26Å; S210-I212 PolarHBondContact O-N 2.9Å; I212-G214 PolarHBondContact O-N 3.4Å; I212-L215 HydrophobicContact CB-CD1 4.13Å; I212-L215 WeakPolarHBondContact O-CB 3.29Å; I212-L215 WeakPolarHBondContact O-CG 3.49Å; I212-L215 PolarHBondContact O-N 2.73Å; I212-L215 VanDerWaalsContact O-N 3.12Å; I212-L226 HydrophobicContact CD1-CD1 3.72Å; I212-L226 HydrophobicContact CD1-CD2 4.13Å; I212-F248 HydrophobicContact CD1-CZ 3.8Å; I212-F248 HydrophobicContact CG1-CZ 4.21Å
213	S	84	Confident	80.4	Confident	61 Å²	61	50 Å²	50	43%	0.427	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-59.7	-26.4	176.9	57.7	0	0	0	0	113.5	W209 S210 L215 T216	W209-S213 PolarHBondContact O-N 3.09Å; S210-S213 WeakPolarHBondContact O-CB 3.08Å; S210-S213 PolarHBondContact O-N 3.19Å; S210-S213 PolarHBondContact O-OG 2.82Å; S213-L215 PolarHBondContact O-N 2.99Å; S213-L215 VanDerWaalsContact O-N 3.09Å; S213-T216 WeakPolarHBondContact O-CB 3.26Å; S213-T216 VanDerWaalsContact O-CG2 3.3Å; S213-T216 WeakPolarHBondContact O-CG2 3.06Å; S213-T216 PolarHBondContact O-N 3.06Å; S213-T216 PolarHBondContact O-OG1 3.31Å
214	G	84.5	Confident	79.8	Confident	2 Å²	2	45.6 Å²	45.6	2%	0.021	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-61.7	-11	173.3	0	0	0	0	0	116	I187 I190 I212	I187-G214 PolarHBondContact O-N 2.99Å; I190-G214 PolarHBondContact N-O 3.46Å; I212-G214 PolarHBondContact O-N 3.4Å
215	L	85.2	Confident	79.2	Confident	4 Å²	4	45.8 Å²	45.8	2%	0.021	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-83.5	-16.9	172.9	-58.1	-178.9	0	0	0	113.6	I187 I190 I199 L201 I212 S213 N217 L218 V224 F248	I187-L215 HydrophobicContact CD1-CD1 4.14Å; I187-L215 HydrophobicContact CD1-CD2 4.2Å; I187-L215 HydrophobicContact CD1-CG 4.21Å; I187-L215 HydrophobicContact CG2-CD2 3.88Å; I187-L215 HydrophobicContact CG2-CG 4.29Å; I190-L215 HydrophobicContact CD1-CD2 3.62Å; I190-L215 HydrophobicContact CG1-CD2 4.1Å; I199-L215 HydrophobicContact CD1-CD2 3.77Å; I199-L215 HydrophobicContact CG2-CD1 4.35Å; L201-L215 HydrophobicContact CD1-CD1 4.15Å; I212-L215 HydrophobicContact CB-CD1 4.13Å; I212-L215 WeakPolarHBondContact O-CB 3.29Å; I212-L215 WeakPolarHBondContact O-CG 3.49Å; I212-L215 PolarHBondContact O-N 2.73Å; I212-L215 VanDerWaalsContact O-N 3.12Å; S213-L215 PolarHBondContact O-N 2.99Å; S213-L215 VanDerWaalsContact O-N 3.09Å; L215-N217 PolarHBondContact O-N 2.87Å; L215-L218 HydrophobicContact CB-CD1 4.47Å; L215-L218 HydrophobicContact CD2-CD1 4.17Å; L215-L218 WeakPolarHBondContact O-CB 3.43Å; L215-L218 WeakPolarHBondContact O-CG 3.44Å; L215-L218 PolarHBondContact O-N 2.95Å; L215-V224 HydrophobicContact CD1-CG1 4.27Å; L215-V224 HydrophobicContact CD1-CG2 4.39Å; L215-F248 HydrophobicContact CB-CE1 4.12Å; L215-F248 HydrophobicContact CD1-CE1 4.41Å
216	T	77.2	Confident	78.7	Confident	51 Å²	51	41.5 Å²	41.5	31%	0.313	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-26.1	-169.3	53.6	0	0	0	0	114.5	S213 F247 F248 K249	S213-T216 WeakPolarHBondContact O-CB 3.26Å; S213-T216 VanDerWaalsContact O-CG2 3.3Å; S213-T216 WeakPolarHBondContact O-CG2 3.06Å; S213-T216 PolarHBondContact O-N 3.06Å; S213-T216 PolarHBondContact O-OG1 3.31Å; T216-F247 WeakPolarHBondContact CG2-O 3.3Å; T216-F248 HydrophobicContact CG2-CD1 4.37Å; T216-K249 VanDerWaalsContact O-CE 3.26Å; T216-K249 WeakPolarHBondContact O-CE 3.4Å
217	N	73.6	Confident	78.2	Confident	78 Å²	78	42.8 Å²	42.8	42%	0.417	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-20.2	-179.7	-76.3	-14.4	0	0	0	113.7	D191 L215 N219 K249	D191-N217 VanDerWaalsContact CG-ND2 3.28Å; D191-N217 WeakPolarHBondContact OD1-CB 3.33Å; D191-N217 PolarHBondContact OD1-ND2 3.44Å; D191-N217 PolarHBondContact OD2-ND2 3.42Å; L215-N217 PolarHBondContact O-N 2.87Å; N217-N219 PolarHBondContact O-N 3.05Å; N217-N219 PolarHBondContact O-OD1 3.48Å; N217-K249 PolarHBondContact O-NZ 3.28Å
218	L	73.2	Confident	77.9	Confident	9 Å²	9	39 Å²	39	5%	0.047	23%	0.227	C	C	.	.			trans	-56.3	137.9	-178.7	-63.8	174.9	0	0	0	111.3	I190 V193 L196 L215 A222 K249	I190-L218 HydrophobicContact CD1-CD1 4.3Å; I190-L218 HydrophobicContact CG1-CD2 4.35Å; V193-L218 HydrophobicContact CG2-CD2 4.42Å; L196-L218 HydrophobicContact CB-CD1 4.48Å; L196-L218 HydrophobicContact CB-CD2 4.39Å; L196-L218 HydrophobicContact CD2-CD1 4.11Å; L215-L218 HydrophobicContact CB-CD1 4.47Å; L215-L218 HydrophobicContact CD2-CD1 4.17Å; L215-L218 WeakPolarHBondContact O-CB 3.43Å; L215-L218 WeakPolarHBondContact O-CG 3.44Å; L215-L218 PolarHBondContact O-N 2.95Å; L218-A222 HydrophobicContact CD1-CB 4.44Å; L218-K249 PolarHBondContact O-NZ 3.24Å
219	N	58.9	Low	77.8	Confident	121 Å²	121	37.2 Å²	37.2	65%	0.647	21%	0.214	S	C	*	.			trans	-99	-9.4	-169.9	-81.5	-26.7	0	0	0	114.7	N217 K249	N217-N219 PolarHBondContact O-N 3.05Å; N217-N219 PolarHBondContact O-OD1 3.48Å; N219-K249 PolarHBondContact OD1-NZ 2.75Å
220	L	55.1	Low	78.2	Confident	73 Å²	73	39.2 Å²	39.2	38%	0.382	23%	0.23	S	C	.	.	S	Bend	trans	-104.3	172.8	178.4	-59.6	-175.1	0	0	0	111.7	I197 A222	I197-L220 HydrophobicContact CD1-CD1 4.34Å; I197-L220 HydrophobicContact CG1-CB 4.24Å; I197-L220 HydrophobicContact CG1-CD1 3.97Å; L220-A222 PolarHBondContact O-N 3.02Å
221	F	53.1	Low	78.3	Confident	123 Å²	123	35.5 Å²	35.5	54%	0.539	20%	0.204	S	C	.	.			trans	-66.1	76.9	177.1	-85.1	-102.5	0	0	0	111.3	Q223 N251	F221-Q223 PolarHBondContact O-N 3.19Å; F221-N251 HydrophobicContact CD1-CB 4.05Å; F221-N251 WeakPolarHBondContact CD1-O 3.42Å; F221-N251 HydrophobicContact CD2-CB 4.1Å; F221-N251 HydrophobicContact CE1-CB 3.88Å; F221-N251 HydrophobicContact CE2-CB 3.93Å; F221-N251 HydrophobicContact CG-CB 4.15Å; F221-N251 HydrophobicContact CZ-CB 3.82Å
222	A	59.3	Low	78.1	Confident	3 Å²	3	36.3 Å²	36.3	3%	0.025	21%	0.211	C	C	.	.			trans	-64.6	116	176.3	0	0	0	0	0	110.2	I197 L218 L220 V224 T252 T253	I197-A222 CarbonylContact O-C 3.42Å; I197-A222 VanDerWaalsContact O-CA 3.32Å; I197-A222 WeakPolarHBondContact O-CA 3.43Å; L218-A222 HydrophobicContact CD1-CB 4.44Å; L220-A222 PolarHBondContact O-N 3.02Å; A222-V224 HydrophobicContact CB-CG2 4.41Å; A222-T252 HydrophobicContact CB-CG2 4.27Å; A222-T252 WeakPolarHBondContact O-CG2 3.42Å; A222-T253 PolarHBondContact O-N 2.93Å; A222-T253 VanDerWaalsContact O-N 3.07Å
223	Q	71.9	Confident	78.1	Confident	39 Å²	39	41.4 Å²	41.4	18%	0.182	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	115.2	171.9	-61.5	-168.8	61.5	0	0	107.8	I197 W198 I199 F221 T253 Y255	I197-Q223 PolarHBondContact O-N 3.48Å; W198-Q223 HydrophobicContact CD2-CB 4.09Å; W198-Q223 HydrophobicContact CE3-CB 3.5Å; W198-Q223 VanDerWaalsContact CE3-CB 3.5Å; W198-Q223 HydrophobicContact CE3-CG 4.23Å; W198-Q223 VanDerWaalsContact CH2-NE2 3.29Å; W198-Q223 HydrophobicContact CZ3-CB 3.76Å; W198-Q223 VanDerWaalsContact CZ3-CD 3.45Å; W198-Q223 HydrophobicContact CZ3-CG 4.2Å; I199-Q223 PolarHBondContact N-O 3.17Å; F221-Q223 PolarHBondContact O-N 3.19Å; Q223-T253 WeakPolarHBondContact CA-O 3.47Å; Q223-Y255 HydrophobicContact CB-CD2 4.08Å; Q223-Y255 HydrophobicContact CB-CE2 4.13Å; Q223-Y255 HydrophobicContact CG-CD2 4.3Å; Q223-Y255 HydrophobicContact CG-CE2 3.83Å
224	V	80.6	Confident	78.2	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	124.5	-168.6	-169.4	0	0	0	0	109.4	I199 L201 L215 A222 L226 T252 T253 V254 Y255	I199-V224 HydrophobicContact CG2-CB 4.31Å; I199-V224 HydrophobicContact CG2-CG1 4.09Å; I199-V224 HydrophobicContact CG2-CG2 3.92Å; I199-V224 WeakPolarHBondContact O-CA 3.1Å; L201-V224 HydrophobicContact CD1-CG1 3.91Å; L215-V224 HydrophobicContact CD1-CG1 4.27Å; L215-V224 HydrophobicContact CD1-CG2 4.39Å; A222-V224 HydrophobicContact CB-CG2 4.41Å; V224-L226 HydrophobicContact CG1-CD1 4.29Å; V224-L226 HydrophobicContact CG1-CD2 4.38Å; V224-L226 HydrophobicContact CG1-CG 4.01Å; V224-T252 HydrophobicContact CG2-CG2 4.03Å; V224-T253 PolarHBondContact N-O 2.84Å; V224-V254 HydrophobicContact CB-CG2 4.49Å; V224-V254 CarbonylContact O-C 3.55Å; V224-V254 WeakPolarHBondContact O-CA 3.21Å; V224-Y255 PolarHBondContact O-N 3.02Å
225	T	83	Confident	78.2	Confident	8 Å²	8	46 Å²	46	5%	0.049	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.6	171.5	77.3	0	0	0	0	110.8	I199 F200 L201 S202 Y255 L257	I199-T225 PolarHBondContact O-N 3.3Å; F200-T225 WeakPolarHBondContact CA-OG1 3.32Å; F200-T225 HydrophobicContact CD1-CG2 3.68Å; F200-T225 HydrophobicContact CE1-CG2 4.04Å; L201-T225 CarbonylContact C-O 3.57Å; L201-T225 WeakPolarHBondContact CA-O 3.27Å; L201-T225 WeakPolarHBondContact CB-O 3.33Å; L201-T225 PolarHBondContact N-O 3.16Å; S202-T225 PolarHBondContact N-O 2.9Å; S202-T225 VanDerWaalsContact OG-CB 3.27Å; S202-T225 WeakPolarHBondContact OG-CB 3.24Å; S202-T225 PolarHBondContact OG-OG1 3.24Å; T225-Y255 WeakPolarHBondContact CA-O 3.18Å; T225-L257 HydrophobicContact CG2-CD2 4.12Å; T225-L257 HydrophobicContact CG2-CG 4.28Å
226	L	85.2	Confident	78.1	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.283	C	S	.	.			trans	-131.1	0.5	-169.9	-76.5	170.4	0	0	0	114.4	L201 S202 I206 W209 I212 V224 N229 V232 Y237 V254	L201-L226 HydrophobicContact CB-CD2 4.07Å; L201-L226 HydrophobicContact CD1-CD2 4.1Å; S202-L226 PolarHBondContact OG-N 3.09Å; I206-L226 HydrophobicContact CD1-CD2 3.94Å; W209-L226 HydrophobicContact CH2-CD1 4.08Å; W209-L226 HydrophobicContact CZ3-CD1 3.75Å; I212-L226 HydrophobicContact CD1-CD1 3.72Å; I212-L226 HydrophobicContact CD1-CD2 4.13Å; V224-L226 HydrophobicContact CG1-CD1 4.29Å; V224-L226 HydrophobicContact CG1-CD2 4.38Å; V224-L226 HydrophobicContact CG1-CG 4.01Å; L226-N229 VanDerWaalsContact O-CB 3.25Å; L226-N229 WeakPolarHBondContact O-CB 3.49Å; L226-N229 PolarHBondContact O-N 3.12Å; L226-N229 PolarHBondContact O-ND2 3.3Å; L226-V232 WeakPolarHBondContact O-CG2 3.11Å; L226-Y237 HydrophobicContact CB-CE2 3.68Å; L226-Y237 HydrophobicContact CD1-CE2 4.13Å; L226-V254 HydrophobicContact CD1-CG1 3.99Å
227	D	83	Confident	78.2	Confident	27 Å²	27	45.9 Å²	45.9	14%	0.144	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	151.6	-176.7	-45.7	-76	0	0	0	114.1	S202 F203 N229 Y237 P256 L257	S202-D227 VanDerWaalsContact CB-N 3.29Å; S202-D227 WeakPolarHBondContact CB-O 3.37Å; S202-D227 PolarHBondContact OG-N 3.34Å; F203-D227 PolarHBondContact N-O 3.04Å; D227-N229 PolarHBondContact O-N 3.04Å; D227-N229 PolarHBondContact O-ND2 2.93Å; D227-Y237 PolarHBondContact OD1-OH 3.46Å; D227-P256 VanDerWaalsContact OD1-CA 3.3Å; D227-P256 WeakPolarHBondContact OD1-CA 2.99Å; D227-P256 WeakPolarHBondContact OD1-CB 3.22Å; D227-P256 WeakPolarHBondContact OD2-CA 3.47Å; D227-L257 WeakPolarHBondContact OD2-CB 3.46Å; D227-L257 PolarHBondContact OD2-N 3.08Å
228	G	86.7	Confident	78	Confident	47 Å²	47	51.7 Å²	51.7	49%	0.485	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	-8.7	-178.1	0	0	0	0	0	115.7
229	N	89.7	Confident	77.9	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.021	31%	0.308	C	S	.	.	S	Bend	trans	-75.1	148.5	166.8	-72.8	-97.4	0	0	0	110.4	L201 F203 N204 H205 I206 L226 D227 I231 V232	L201-N229 PolarHBondContact O-ND2 2.92Å; F203-N229 PolarHBondContact N-ND2 3.04Å; N204-N229 WeakPolarHBondContact CA-OD1 3.34Å; N204-N229 WeakPolarHBondContact CB-OD1 3.27Å; N204-N229 PolarHBondContact N-ND2 2.91Å; N204-N229 PolarHBondContact N-OD1 3.15Å; N204-N229 PolarHBondContact O-OD1 2.8Å; N204-N229 VanDerWaalsContact O-OD1 3.05Å; H205-N229 PolarHBondContact N-OD1 3.24Å; I206-N229 HydrophobicContact CB-CB 4.17Å; I206-N229 VanDerWaalsContact CB-OD1 3.26Å; I206-N229 WeakPolarHBondContact CB-OD1 3.34Å; I206-N229 WeakPolarHBondContact CG1-OD1 3.42Å; I206-N229 PolarHBondContact N-OD1 2.85Å; L226-N229 VanDerWaalsContact O-CB 3.25Å; L226-N229 WeakPolarHBondContact O-CB 3.49Å; L226-N229 PolarHBondContact O-N 3.12Å; L226-N229 PolarHBondContact O-ND2 3.3Å; D227-N229 PolarHBondContact O-N 3.04Å; D227-N229 PolarHBondContact O-ND2 2.93Å; N229-I231 HydrophobicContact CB-CG2 3.81Å; N229-I231 PolarHBondContact O-N 3.04Å; N229-I231 VanDerWaalsContact O-N 3.09Å; N229-V232 VanDerWaalsContact O-CB 3.32Å; N229-V232 WeakPolarHBondContact O-CB 3.1Å; N229-V232 WeakPolarHBondContact O-CG2 3.38Å; N229-V232 PolarHBondContact O-N 3.03Å
230	P	93.5	Very high	78.3	Confident	59 Å²	59	51.6 Å²	51.6	38%	0.383	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-51.7	-32.3	174.9	-29.4	34.4	0	0	0	115.4	I206 K207 V232 S233	I206-P230 WeakPolarHBondContact O-CD 3.47Å; K207-P230 HydrophobicContact CB-CB 4.35Å; K207-P230 HydrophobicContact CG-CB 4.04Å; K207-P230 HydrophobicContact CG-CG 4.23Å; P230-V232 PolarHBondContact O-N 3.32Å; P230-V232 VanDerWaalsContact O-N 3.1Å; P230-S233 VanDerWaalsContact O-CB 3.28Å; P230-S233 WeakPolarHBondContact O-CB 3.29Å; P230-S233 PolarHBondContact O-N 3.01Å; P230-S233 PolarHBondContact O-OG 3.2Å
231	I	89.6	Confident	78.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-55.4	-23.7	176.6	-162	174.5	0	0	0	113.9	I206 S208 W209 N229 S233 D234	I206-I231 HydrophobicContact CG2-CB 4.39Å; I206-I231 HydrophobicContact CG2-CD1 4.18Å; I206-I231 HydrophobicContact CG2-CG2 4.28Å; I206-I231 PolarHBondContact O-N 3.25Å; S208-I231 VanDerWaalsContact C-CD1 3.48Å; W209-I231 HydrophobicContact CD2-CD1 3.64Å; W209-I231 HydrophobicContact CE3-CD1 3.72Å; W209-I231 HydrophobicContact CG-CD1 4.17Å; W209-I231 HydrophobicContact CH2-CD1 4.06Å; W209-I231 HydrophobicContact CZ2-CD1 3.96Å; W209-I231 HydrophobicContact CZ2-CG1 4.21Å; W209-I231 HydrophobicContact CZ3-CD1 3.94Å; N229-I231 HydrophobicContact CB-CG2 3.81Å; N229-I231 PolarHBondContact O-N 3.04Å; N229-I231 VanDerWaalsContact O-N 3.09Å; I231-S233 PolarHBondContact O-N 2.76Å; I231-S233 VanDerWaalsContact O-N 3.1Å; I231-D234 VanDerWaalsContact O-CB 3.27Å; I231-D234 WeakPolarHBondContact O-CB 3.37Å; I231-D234 PolarHBondContact O-N 3.37Å
232	V	86.4	Confident	78.7	Confident	53 Å²	53	49.3 Å²	49.3	32%	0.321	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-59.4	-22	174.9	177.3	0	0	0	0	112.2	L226 N229 P230 D234 Y237	L226-V232 WeakPolarHBondContact O-CG2 3.11Å; N229-V232 VanDerWaalsContact O-CB 3.32Å; N229-V232 WeakPolarHBondContact O-CB 3.1Å; N229-V232 WeakPolarHBondContact O-CG2 3.38Å; N229-V232 PolarHBondContact O-N 3.03Å; P230-V232 PolarHBondContact O-N 3.32Å; P230-V232 VanDerWaalsContact O-N 3.1Å; V232-D234 VanDerWaalsContact C-N 3.34Å; V232-Y237 HydrophobicContact CB-CD1 4.2Å; V232-Y237 HydrophobicContact CB-CE1 4.1Å; V232-Y237 HydrophobicContact CG1-CD1 4Å; V232-Y237 HydrophobicContact CG1-CE1 3.82Å; V232-Y237 HydrophobicContact CG2-CD1 4.36Å; V232-Y237 HydrophobicContact CG2-CE1 3.83Å; V232-Y237 HydrophobicContact CG2-CE2 4.25Å
233	S	86.7	Confident	78.4	Confident	107 Å²	107	54 Å²	54	75%	0.748	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-79	-14.5	177.1	-46	0	0	0	0	113.5	P230 I231	P230-S233 VanDerWaalsContact O-CB 3.28Å; P230-S233 WeakPolarHBondContact O-CB 3.29Å; P230-S233 PolarHBondContact O-N 3.01Å; P230-S233 PolarHBondContact O-OG 3.2Å; I231-S233 PolarHBondContact O-N 2.76Å; I231-S233 VanDerWaalsContact O-N 3.1Å
234	D	86.2	Confident	77.1	Confident	55 Å²	55	54.2 Å²	54.2	29%	0.294	32%	0.315	S	S	.	.	S	Bend	trans	-71.6	128.6	-180	-168.8	-53.2	0	0	0	110.2	I231 V232 T236 Y237	I231-D234 VanDerWaalsContact O-CB 3.27Å; I231-D234 WeakPolarHBondContact O-CB 3.37Å; I231-D234 PolarHBondContact O-N 3.37Å; V232-D234 VanDerWaalsContact C-N 3.34Å; D234-T236 PolarHBondContact O-N 3.09Å; D234-T236 VanDerWaalsContact OD1-CB 3.3Å; D234-T236 WeakPolarHBondContact OD1-CB 3.36Å; D234-T236 WeakPolarHBondContact OD1-CG2 3.38Å; D234-T236 PolarHBondContact OD1-N 3.22Å; D234-T236 PolarHBondContact OD1-OG1 2.97Å; D234-Y237 VanDerWaalsContact O-CB 3.24Å; D234-Y237 WeakPolarHBondContact O-CB 3.18Å; D234-Y237 PolarHBondContact O-N 3.18Å
235	P	84	Confident	75.6	Confident	104 Å²	104	58 Å²	58	68%	0.675	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-21.4	176.5	-27	35.9	0	0	0	114.9
236	T	82.8	Confident	73.7	Confident	45 Å²	45	67 Å²	67	28%	0.276	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-22.8	174	63.6	0	0	0	0	113.5	W209 D234 R238 K239 M240	W209-T236 PolarHBondContact NE1-OG1 2.97Å; D234-T236 PolarHBondContact O-N 3.09Å; D234-T236 VanDerWaalsContact OD1-CB 3.3Å; D234-T236 WeakPolarHBondContact OD1-CB 3.36Å; D234-T236 WeakPolarHBondContact OD1-CG2 3.38Å; D234-T236 PolarHBondContact OD1-N 3.22Å; D234-T236 PolarHBondContact OD1-OG1 2.97Å; T236-R238 VanDerWaalsContact C-N 3.33Å; T236-R238 PolarHBondContact O-N 3.4Å; T236-K239 WeakPolarHBondContact O-CA 3.23Å; T236-K239 WeakPolarHBondContact O-CB 3.43Å; T236-K239 PolarHBondContact O-N 2.9Å; T236-M240 PolarHBondContact O-N 3.24Å
237	Y	79.3	Confident	71.7	Confident	8 Å²	8	72 Å²	72	3%	0.031	39%	0.387	C	S	.	.	H	α-helix	trans	-57.5	-45	175.8	-173.8	-104.4	0	0	0	112.2	W209 L226 D227 V232 D234 K239 M240 I241 V254	W209-Y237 AromaticContact CH2-CD2 3.69Å; W209-Y237 HydrophobicContact CH2-CD2 3.69Å; W209-Y237 HydrophobicContact CH2-CE2 4.32Å; W209-Y237 AromaticContact CZ2-CD2 3.91Å; W209-Y237 HydrophobicContact CZ2-CD2 3.91Å; L226-Y237 HydrophobicContact CB-CE2 3.68Å; L226-Y237 HydrophobicContact CD1-CE2 4.13Å; D227-Y237 PolarHBondContact OD1-OH 3.46Å; V232-Y237 HydrophobicContact CB-CD1 4.2Å; V232-Y237 HydrophobicContact CB-CE1 4.1Å; V232-Y237 HydrophobicContact CG1-CD1 4Å; V232-Y237 HydrophobicContact CG1-CE1 3.82Å; V232-Y237 HydrophobicContact CG2-CD1 4.36Å; V232-Y237 HydrophobicContact CG2-CE1 3.83Å; V232-Y237 HydrophobicContact CG2-CE2 4.25Å; D234-Y237 VanDerWaalsContact O-CB 3.24Å; D234-Y237 WeakPolarHBondContact O-CB 3.18Å; D234-Y237 PolarHBondContact O-N 3.18Å; Y237-K239 PolarHBondContact O-N 3.34Å; Y237-M240 PolarHBondContact O-N 3.25Å; Y237-I241 HydrophobicContact CD1-CD1 3.86Å; Y237-I241 HydrophobicContact CE1-CD1 3.35Å; Y237-I241 HydrophobicContact CE1-CG1 4.46Å; Y237-I241 HydrophobicContact CE2-CD1 4.43Å; Y237-I241 PolarHBondContact O-N 2.91Å; Y237-I241 VanDerWaalsContact O-N 3.14Å; Y237-V254 HydrophobicContact CE2-CG1 4.19Å
238	R	71	Confident	70.2	Confident	200 Å²	200	72 Å²	72	76%	0.755	39%	0.385	S	S	*	.	H	α-helix	trans	-64.3	-27.1	174.6	-68.1	-174.1	176.9	-126.1	-0.3	113.2	T236 S242	T236-R238 VanDerWaalsContact C-N 3.33Å; T236-R238 PolarHBondContact O-N 3.4Å; R238-S242 WeakPolarHBondContact O-CB 3.49Å; R238-S242 PolarHBondContact O-N 3.17Å; R238-S242 PolarHBondContact O-OG 3.17Å
239	K	70	Confident	68.4	Low	115 Å²	115	73.5 Å²	73.5	50%	0.5	38%	0.378	S	S	.	.	H	α-helix	trans	-77.8	-42.1	175.4	-62.6	-178	179.4	-180	0	111.3	T236 Y237 I241 S242 S243 D244	T236-K239 WeakPolarHBondContact O-CA 3.23Å; T236-K239 WeakPolarHBondContact O-CB 3.43Å; T236-K239 PolarHBondContact O-N 2.9Å; Y237-K239 PolarHBondContact O-N 3.34Å; K239-I241 PolarHBondContact O-N 2.99Å; K239-S242 CarbonylContact O-C 3.25Å; K239-S242 WeakPolarHBondContact O-CA 3.36Å; K239-S242 PolarHBondContact O-N 3.36Å; K239-S243 PolarHBondContact O-N 3.06Å; K239-D244 HydrophobicContact CB-CB 3.82Å; K239-D244 VanDerWaalsContact O-CB 3.25Å; K239-D244 WeakPolarHBondContact O-CB 3.47Å; K239-D244 PolarHBondContact O-N 3.24Å
240	M	67.6	Low	66.4	Low	13 Å²	13	79.1 Å²	79.1	6%	0.064	41%	0.408	C	S	.	.	H	α-helix	trans	-59.9	-46.9	178.2	-162.4	88.9	77.4	0	0	111.6	W209 T236 Y237 S242 S243 F247 F248 V254	W209-M240 HydrophobicContact CD2-CE 3.44Å; W209-M240 VanDerWaalsContact CD2-CE 3.44Å; W209-M240 HydrophobicContact CE3-CE 3.32Å; W209-M240 HydrophobicContact CG-CE 4.31Å; W209-M240 HydrophobicContact CH2-CB 4.13Å; W209-M240 HydrophobicContact CH2-CE 3.45Å; W209-M240 VanDerWaalsContact CH2-CE 3.45Å; W209-M240 HydrophobicContact CH2-CG 4.11Å; W209-M240 HydrophobicContact CZ2-CB 4.31Å; W209-M240 HydrophobicContact CZ2-CE 3.57Å; W209-M240 HydrophobicContact CZ3-CE 3.32Å; W209-M240 HydrophobicContact CZ3-CG 4.43Å; T236-M240 PolarHBondContact O-N 3.24Å; Y237-M240 PolarHBondContact O-N 3.25Å; M240-S242 VanDerWaalsContact C-N 3.28Å; M240-S242 PolarHBondContact O-N 3.26Å; M240-S243 PolarHBondContact O-N 3.42Å; M240-F247 HydrophobicContact CE-CB 3.68Å; M240-F247 HydrophobicContact CE-CD2 3.61Å; M240-F247 HydrophobicContact CE-CG 3.9Å; M240-F247 HydrophobicContact SD-CB 4.38Å; M240-F247 HydrophobicContact SD-CD2 4.38Å; M240-F248 HydrophobicContact CE-CD2 4.49Å; M240-F248 HydrophobicContact CE-CE2 4.14Å; M240-F248 HydrophobicContact SD-CD2 4.18Å; M240-F248 HydrophobicContact SD-CE2 4.28Å; M240-V254 HydrophobicContact CG-CB 4.28Å; M240-V254 HydrophobicContact CG-CG2 3.79Å
241	I	62.8	Low	64.3	Low	58 Å²	58	79.7 Å²	79.7	30%	0.297	41%	0.408	S	S	.	.	H	α-helix	trans	-61.2	-40	172.2	-66.6	171.5	0	0	0	110.6	Y237 K239 S243 V254 P256	Y237-I241 HydrophobicContact CD1-CD1 3.86Å; Y237-I241 HydrophobicContact CE1-CD1 3.35Å; Y237-I241 HydrophobicContact CE1-CG1 4.46Å; Y237-I241 HydrophobicContact CE2-CD1 4.43Å; Y237-I241 PolarHBondContact O-N 2.91Å; Y237-I241 VanDerWaalsContact O-N 3.14Å; K239-I241 PolarHBondContact O-N 2.99Å; I241-S243 PolarHBondContact O-N 3.19Å; I241-S243 VanDerWaalsContact O-N 3.12Å; I241-V254 HydrophobicContact CG1-CG1 4.15Å; I241-P256 HydrophobicContact CD1-CB 4.16Å; I241-P256 HydrophobicContact CD1-CG 4.19Å; I241-P256 HydrophobicContact CG2-CG 4.22Å
242	S	54.3	Low	62.5	Low	90 Å²	90	80.4 Å²	80.4	63%	0.629	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	36.5	177.5	-52.5	0	0	0	0	114.1	R238 K239 M240	R238-S242 WeakPolarHBondContact O-CB 3.49Å; R238-S242 PolarHBondContact O-N 3.17Å; R238-S242 PolarHBondContact O-OG 3.17Å; K239-S242 CarbonylContact O-C 3.25Å; K239-S242 WeakPolarHBondContact O-CA 3.36Å; K239-S242 PolarHBondContact O-N 3.36Å; M240-S242 VanDerWaalsContact C-N 3.28Å; M240-S242 PolarHBondContact O-N 3.26Å
243	S	52.2	Low	61	Low	101 Å²	101	80.1 Å²	80.1	71%	0.706	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	6.8	173.6	-47	0	0	0	0	119.4	K239 M240 I241 K245	K239-S243 PolarHBondContact O-N 3.06Å; M240-S243 PolarHBondContact O-N 3.42Å; I241-S243 PolarHBondContact O-N 3.19Å; I241-S243 VanDerWaalsContact O-N 3.12Å; S243-K245 PolarHBondContact O-N 2.95Å; S243-K245 VanDerWaalsContact O-N 3.16Å
244	D	45.1	Very low	59.7	Low	44 Å²	44	75.3 Å²	75.3	24%	0.235	38%	0.378	C	S	.	.			trans	-85.5	81.4	179.4	-163.5	-13	0	0	0	112.3	K239 R246	K239-D244 HydrophobicContact CB-CB 3.82Å; K239-D244 VanDerWaalsContact O-CB 3.25Å; K239-D244 WeakPolarHBondContact O-CB 3.47Å; K239-D244 PolarHBondContact O-N 3.24Å; D244-R246 VanDerWaalsContact C-N 3.25Å; D244-R246 VanDerWaalsContact CG-NH2 3.34Å; D244-R246 PolarHBondContact O-N 3.33Å; D244-R246 VanDerWaalsContact O-N 3.09Å; D244-R246 IonicContact OD1-CZ 3.9Å; D244-R246 IonicContact OD1-NE 2.67Å; D244-R246 PolarHBondContact OD1-NE 2.83Å; D244-R246 IonicContact OD1-NH2 3.26Å; D244-R246 PolarHBondContact OD1-NH2 2.98Å; D244-R246 VanDerWaalsContact OD1-NH2 3.16Å; D244-R246 IonicContact OD2-CZ 3.96Å; D244-R246 IonicContact OD2-NE 3.18Å; D244-R246 IonicContact OD2-NH2 3.38Å; D244-R246 PolarHBondContact OD2-NH2 2.83Å
245	K	49.6	Very low	58.3	Low	81 Å²	81	77.8 Å²	77.8	35%	0.352	38%	0.383	S	S	.	.			trans	-73	4.3	-165.8	-60.4	-176.6	-178.2	170.8	0	117.1	S243 F247 F248 D250	S243-K245 PolarHBondContact O-N 2.95Å; S243-K245 VanDerWaalsContact O-N 3.16Å; K245-F247 PolarHBondContact O-N 3.17Å; K245-F248 PolarHBondContact O-N 2.82Å; K245-D250 HydrophobicContact CD-CB 4.47Å; K245-D250 WeakPolarHBondContact CD-O 3.44Å; K245-D250 WeakPolarHBondContact CE-O 3.41Å; K245-D250 PolarHBondContact NZ-O 3.29Å
246	R	41.5	Very low	56.6	Low	197 Å²	197	75.4 Å²	75.4	74%	0.743	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-6.7	-162.4	-84.5	-176	-78.6	-168.9	-9.2	119	D244	D244-R246 VanDerWaalsContact C-N 3.25Å; D244-R246 VanDerWaalsContact CG-NH2 3.34Å; D244-R246 PolarHBondContact O-N 3.33Å; D244-R246 VanDerWaalsContact O-N 3.09Å; D244-R246 IonicContact OD1-CZ 3.9Å; D244-R246 IonicContact OD1-NE 2.67Å; D244-R246 PolarHBondContact OD1-NE 2.83Å; D244-R246 IonicContact OD1-NH2 3.26Å; D244-R246 PolarHBondContact OD1-NH2 2.98Å; D244-R246 VanDerWaalsContact OD1-NH2 3.16Å; D244-R246 IonicContact OD2-CZ 3.96Å; D244-R246 IonicContact OD2-NE 3.18Å; D244-R246 IonicContact OD2-NH2 3.38Å; D244-R246 PolarHBondContact OD2-NH2 2.83Å
247	F	44.4	Very low	54.8	Low	105 Å²	105	75.1 Å²	75.1	46%	0.461	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	2	178.6	-69.3	-95.5	0	0	0	113.8	W209 T216 M240 K245	W209-F247 HydrophobicContact CB-CD1 3.54Å; W209-F247 HydrophobicContact CB-CE1 3.8Å; W209-F247 HydrophobicContact CB-CG 4.1Å; W209-F247 AromaticContact CG-CD1 3.97Å; W209-F247 HydrophobicContact CG-CD1 3.97Å; W209-F247 HydrophobicContact CG-CD2 4.46Å; W209-F247 HydrophobicContact CG-CE1 4.12Å; W209-F247 HydrophobicContact CG-CG 4.13Å; W209-F247 HydrophobicContact CG-CZ 4.41Å; T216-F247 WeakPolarHBondContact CG2-O 3.3Å; M240-F247 HydrophobicContact CE-CB 3.68Å; M240-F247 HydrophobicContact CE-CD2 3.61Å; M240-F247 HydrophobicContact CE-CG 3.9Å; M240-F247 HydrophobicContact SD-CB 4.38Å; M240-F247 HydrophobicContact SD-CD2 4.38Å; K245-F247 PolarHBondContact O-N 3.17Å
248	F	50.1	Low	53.1	Low	26 Å²	26	81.2 Å²	81.2	11%	0.114	39%	0.391	C	S	.	.	S	Bend	trans	-138.2	178.8	177.6	-59.4	-77.6	0	0	0	110.1	W209 I212 L215 T216 M240 K245 T252 V254	W209-F248 HydrophobicContact CE3-CE2 4.44Å; W209-F248 HydrophobicContact CZ3-CE2 4.27Å; I212-F248 HydrophobicContact CD1-CZ 3.8Å; I212-F248 HydrophobicContact CG1-CZ 4.21Å; L215-F248 HydrophobicContact CB-CE1 4.12Å; L215-F248 HydrophobicContact CD1-CE1 4.41Å; T216-F248 HydrophobicContact CG2-CD1 4.37Å; M240-F248 HydrophobicContact CE-CD2 4.49Å; M240-F248 HydrophobicContact CE-CE2 4.14Å; M240-F248 HydrophobicContact SD-CD2 4.18Å; M240-F248 HydrophobicContact SD-CE2 4.28Å; K245-F248 PolarHBondContact O-N 2.82Å; F248-T252 VanDerWaalsContact CB-CB 3.45Å; F248-T252 HydrophobicContact CB-CG2 3.81Å; F248-T252 HydrophobicContact CD1-CG2 3.79Å; F248-T252 HydrophobicContact CD2-CG2 3.87Å; F248-T252 HydrophobicContact CE1-CG2 4.28Å; F248-T252 HydrophobicContact CE2-CG2 4.35Å; F248-T252 HydrophobicContact CG-CG2 3.56Å; F248-V254 HydrophobicContact CE2-CG2 3.98Å
249	K	49.5	Very low	51.1	Low	78 Å²	78	76.2 Å²	76.2	34%	0.339	39%	0.385	S	S	.	.			trans	-65	156.2	164.8	-65.1	171.4	-172.9	159.5	0	109.1	T216 N217 L218 N219 N251 T252	T216-K249 VanDerWaalsContact O-CE 3.26Å; T216-K249 WeakPolarHBondContact O-CE 3.4Å; N217-K249 PolarHBondContact O-NZ 3.28Å; L218-K249 PolarHBondContact O-NZ 3.24Å; N219-K249 PolarHBondContact OD1-NZ 2.75Å; K249-N251 PolarHBondContact O-N 2.92Å; K249-T252 PolarHBondContact O-N 2.78Å; K249-T252 VanDerWaalsContact O-N 3.1Å
250	D	47.3	Very low	49	Very low	122 Å²	122	77.5 Å²	77.5	65%	0.652	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	2.3	-178.8	-70.2	-58.6	0	0	0	115.7	K245	K245-D250 HydrophobicContact CD-CB 4.47Å; K245-D250 WeakPolarHBondContact CD-O 3.44Å; K245-D250 WeakPolarHBondContact CE-O 3.41Å; K245-D250 PolarHBondContact NZ-O 3.29Å
251	N	50.8	Low	47.1	Very low	71 Å²	71	83 Å²	83	38%	0.38	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-16.2	-177.7	-57.2	-3	0	0	0	112.9	F221 K249	F221-N251 HydrophobicContact CD1-CB 4.05Å; F221-N251 WeakPolarHBondContact CD1-O 3.42Å; F221-N251 HydrophobicContact CD2-CB 4.1Å; F221-N251 HydrophobicContact CE1-CB 3.88Å; F221-N251 HydrophobicContact CE2-CB 3.93Å; F221-N251 HydrophobicContact CG-CB 4.15Å; F221-N251 HydrophobicContact CZ-CB 3.82Å; K249-N251 PolarHBondContact O-N 2.92Å
252	T	51.1	Low	45.4	Very low	15 Å²	15	84.2 Å²	84.2	9%	0.092	45%	0.447	C	S	.	.			trans	-77.3	138	-179.2	-56.8	0	0	0	0	110.7	A222 V224 F248 K249	A222-T252 HydrophobicContact CB-CG2 4.27Å; A222-T252 WeakPolarHBondContact O-CG2 3.42Å; V224-T252 HydrophobicContact CG2-CG2 4.03Å; F248-T252 VanDerWaalsContact CB-CB 3.45Å; F248-T252 HydrophobicContact CB-CG2 3.81Å; F248-T252 HydrophobicContact CD1-CG2 3.79Å; F248-T252 HydrophobicContact CD2-CG2 3.87Å; F248-T252 HydrophobicContact CE1-CG2 4.28Å; F248-T252 HydrophobicContact CE2-CG2 4.35Å; F248-T252 HydrophobicContact CG-CG2 3.56Å; K249-T252 PolarHBondContact O-N 2.78Å; K249-T252 VanDerWaalsContact O-N 3.1Å
253	T	55.4	Low	44.1	Very low	47 Å²	47	90.2 Å²	90.2	29%	0.288	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	125.7	-179.1	-53	0	0	0	0	110.7	A222 Q223 V224 Y255	A222-T253 PolarHBondContact O-N 2.93Å; A222-T253 VanDerWaalsContact O-N 3.07Å; Q223-T253 WeakPolarHBondContact CA-O 3.47Å; V224-T253 PolarHBondContact N-O 2.84Å; T253-Y255 HydrophobicContact CG2-CD2 3.88Å; T253-Y255 HydrophobicContact CG2-CE1 4.28Å; T253-Y255 HydrophobicContact CG2-CE2 3.32Å
254	V	58.8	Low	42.9	Very low	7 Å²	7	89.8 Å²	89.8	4%	0.042	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	117.6	177.1	179.2	0	0	0	0	109.1	V224 L226 Y237 M240 I241 F248	V224-V254 HydrophobicContact CB-CG2 4.49Å; V224-V254 CarbonylContact O-C 3.55Å; V224-V254 WeakPolarHBondContact O-CA 3.21Å; L226-V254 HydrophobicContact CD1-CG1 3.99Å; Y237-V254 HydrophobicContact CE2-CG1 4.19Å; M240-V254 HydrophobicContact CG-CB 4.28Å; M240-V254 HydrophobicContact CG-CG2 3.79Å; I241-V254 HydrophobicContact CG1-CG1 4.15Å; F248-V254 HydrophobicContact CE2-CG2 3.98Å
255	Y	57.5	Low	41.9	Very low	106 Å²	106	94.7 Å²	94.7	42%	0.416	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.6	-177.6	-75.5	-86.1	0	0	0	111.6	Q223 V224 T225 T253	Q223-Y255 HydrophobicContact CB-CD2 4.08Å; Q223-Y255 HydrophobicContact CB-CE2 4.13Å; Q223-Y255 HydrophobicContact CG-CD2 4.3Å; Q223-Y255 HydrophobicContact CG-CE2 3.83Å; V224-Y255 PolarHBondContact O-N 3.02Å; T225-Y255 WeakPolarHBondContact CA-O 3.18Å; T253-Y255 HydrophobicContact CG2-CD2 3.88Å; T253-Y255 HydrophobicContact CG2-CE1 4.28Å; T253-Y255 HydrophobicContact CG2-CE2 3.32Å
256	P	48.5	Very low	40.7	Very low	55 Å²	55	98.3 Å²	98.3	36%	0.357	51%	0.513	S	S	.	.			trans	-78.3	137.9	165.1	32.5	-32.5	0	0	0	110.9	D227 I241 K258	D227-P256 VanDerWaalsContact OD1-CA 3.3Å; D227-P256 WeakPolarHBondContact OD1-CA 2.99Å; D227-P256 WeakPolarHBondContact OD1-CB 3.22Å; D227-P256 WeakPolarHBondContact OD2-CA 3.47Å; I241-P256 HydrophobicContact CD1-CB 4.16Å; I241-P256 HydrophobicContact CD1-CG 4.19Å; I241-P256 HydrophobicContact CG2-CG 4.22Å; P256-K258 VanDerWaalsContact C-N 3.29Å; P256-K258 PolarHBondContact O-N 3.15Å
257	L	45.3	Very low	40.1	Very low	38 Å²	38	97.9 Å²	97.9	20%	0.199	52%	0.516	C	S	.	.	S	Bend	trans	-68.4	-11.6	-172.7	-86	173.6	0	0	0	116.6	S202 T225 D227 F284	S202-L257 WeakPolarHBondContact OG-CD1 3.32Å; T225-L257 HydrophobicContact CG2-CD2 4.12Å; T225-L257 HydrophobicContact CG2-CG 4.28Å; D227-L257 WeakPolarHBondContact OD2-CB 3.46Å; D227-L257 PolarHBondContact OD2-N 3.08Å; L257-F284 HydrophobicContact CD2-CE2 4.5Å
258	K	42.5	Very low	39.1	Very low	137 Å²	137	98.7 Å²	98.7	60%	0.596	52%	0.523	S	S	*	.	S	Bend	trans	-144.1	153.5	178.7	-75.6	-155.8	178.5	-161	0	112.3	P256 M270	P256-K258 VanDerWaalsContact C-N 3.29Å; P256-K258 PolarHBondContact O-N 3.15Å; K258-M270 HydrophobicContact CD-SD 3.8Å; K258-M270 WeakPolarHBondContact CE-SD 3.48Å; K258-M270 HydrophobicContact CG-CE 4.37Å; K258-M270 HydrophobicContact CG-SD 4.12Å; K258-M270 PolarHBondContact NZ-SD 2.82Å
259	P	29.6	Very low	37.9	Very low	95 Å²	95	103.4 Å²	103.4	62%	0.617	55%	0.549	S	S	*	.			trans	-71.7	164	-161.4	26.6	-35.8	0	0	0	115.5
260	N	25.6	Very low	36.8	Very low	142 Å²	142	104.1 Å²	104.1	76%	0.759	56%	0.555	S	S	*	*			trans	-69.2	118.8	-166.7	-153.7	-4.3	0	0	0	112.1	S262	N260-S262 PolarHBondContact O-N 3Å
261	P	27.7	Very low	35.8	Very low	129 Å²	129	102.3 Å²	102.3	84%	0.838	55%	0.545	S	S	*	.			trans	-82.6	70.3	-168.1	33.4	-37.5	0	0	0	112.8
262	S	27	Very low	34.6	Very low	83 Å²	83	105.8 Å²	105.8	58%	0.58	56%	0.559	S	S	*	*			trans	-148.6	32.2	-174.3	61.1	0	0	0	0	117.6	N260	N260-S262 PolarHBondContact O-N 3Å
263	K	26.9	Very low	33.5	Very low	215 Å²	215	111.9 Å²	111.9	94%	0.935	59%	0.587	S	S	*	*	S	Bend	trans	-164.4	154.4	142.6	-102.2	144.7	-169.8	-178.5	0	111.2
264	A	26.1	Very low	32.2	Very low	92 Å²	92	113.1 Å²	113.1	76%	0.76	60%	0.596	S	S	*	*			trans	-75.6	146.3	-164.8	0	0	0	0	0	114.3
265	I	24.2	Very low	30.6	Very low	148 Å²	148	116.2 Å²	116.2	76%	0.759	61%	0.612	S	S	*	*				167.8	122.4	122.6	-85.2	156.4	0	0	0	109.8
266	N	25.2	Very low	29.3	Very low	157 Å²	157	118.8 Å²	118.8	84%	0.84	63%	0.633	S	S	*	*			trans	56.4	174.1	157.4	-63.6	-8.6	0	0	0	121.6
267	K	27.6	Very low	28.5	Very low	188 Å²	188	122.1 Å²	122.1	82%	0.817	64%	0.641	S	S	*	*	S	Bend	trans	-74.9	166.1	168.1	-64	171.9	177.2	174.8	0	109.8
268	M	23.6	Very low	27.8	Very low	121 Å²	121	130.8 Å²	130.8	60%	0.596	67%	0.671	S	S	*	*			trans	60.7	90	177.6	-70.9	117.4	133.4	0	0	115.1	E295	M268-E295 WeakPolarHBondContact CE-OE1 3.06Å; M268-E295 WeakPolarHBondContact CE-OE2 3.27Å
269	N	25.6	Very low	28	Very low	125 Å²	125	130.5 Å²	130.5	67%	0.668	68%	0.676	S	S	*	*				-173.2	142.9	102.2	-90.3	-14	0	0	0	111
270	M	26.2	Very low	28.6	Very low	93 Å²	93	127.4 Å²	127.4	46%	0.458	66%	0.656	S	S	.	*			trans	-95.3	114	155	-74.5	-74.9	-58.9	0	0	104.8	K258 E272	K258-M270 HydrophobicContact CD-SD 3.8Å; K258-M270 WeakPolarHBondContact CE-SD 3.48Å; K258-M270 HydrophobicContact CG-CE 4.37Å; K258-M270 HydrophobicContact CG-SD 4.12Å; K258-M270 PolarHBondContact NZ-SD 2.82Å; M270-E272 PolarHBondContact O-N 3.25Å
271	D	26.7	Very low	30.1	Very low	84 Å²	84	121.1 Å²	121.1	45%	0.449	62%	0.623	S	S	.	*			trans	-52.8	126	-164.1	-60.4	-72.4	0	0	0	113.9	Q273 C274	D271-Q273 HydrophobicContact CB-CB 4.17Å; D271-Q273 PolarHBondContact O-N 3.13Å; D271-C274 WeakPolarHBondContact O-CB 3.47Å; D271-C274 PolarHBondContact O-N 2.73Å
272	E	25.4	Very low	32	Very low	145 Å²	145	115.6 Å²	115.6	68%	0.678	59%	0.586	S	S	*	*	H	α-helix	trans	-56.3	-23.9	170.7	-60.5	176.6	128.7	0	0	111.5	M270 C274 L275 L276	M270-E272 PolarHBondContact O-N 3.25Å; E272-C274 PolarHBondContact O-N 3.42Å; E272-C274 VanDerWaalsContact O-N 3.14Å; E272-L275 PolarHBondContact O-N 3.13Å; E272-L276 PolarHBondContact O-N 2.98Å
273	Q	27.9	Very low	33.5	Very low	142 Å²	142	111.6 Å²	111.6	66%	0.664	56%	0.558	S	S	*	*	H	α-helix	trans	-61.1	-13.9	171.6	-56	-172.4	19.3	0	0	114.8	D271 K277	D271-Q273 HydrophobicContact CB-CB 4.17Å; D271-Q273 PolarHBondContact O-N 3.13Å; Q273-K277 VanDerWaalsContact O-CD 3.29Å; Q273-K277 WeakPolarHBondContact O-CD 3.31Å; Q273-K277 WeakPolarHBondContact O-CE 3.23Å; Q273-K277 WeakPolarHBondContact O-CG 3.21Å; Q273-K277 PolarHBondContact O-NZ 3.05Å
274	C	28.4	Very low	34.7	Very low	73 Å²	73	103.6 Å²	103.6	49%	0.493	52%	0.523	S	S	.	.	H	α-helix	trans	-82.3	-37	169	-78.1	0	0	0	0	111.8	D271 E272 V280	D271-C274 WeakPolarHBondContact O-CB 3.47Å; D271-C274 PolarHBondContact O-N 2.73Å; E272-C274 PolarHBondContact O-N 3.42Å; E272-C274 VanDerWaalsContact O-N 3.14Å; C274-V280 WeakPolarHBondContact O-CG2 3.46Å
275	L	25.9	Very low	35.9	Very low	73 Å²	73	100.8 Å²	100.8	38%	0.382	50%	0.495	S	S	.	.	H	α-helix	trans	-75.3	-36	-174.3	-61.8	172.3	0	0	0	112.5	E272 K277 L285 F292	E272-L275 PolarHBondContact O-N 3.13Å; L275-K277 PolarHBondContact O-N 2.92Å; L275-L285 HydrophobicContact CD2-CD2 4.36Å; L275-F292 HydrophobicContact CD1-CD1 4.04Å; L275-F292 HydrophobicContact CD1-CE1 3.67Å; L275-F292 HydrophobicContact CD2-CE1 3.68Å; L275-F292 HydrophobicContact CD2-CZ 4.26Å; L275-F292 HydrophobicContact CG-CE1 4.33Å
276	L	28.3	Very low	37.5	Very low	160 Å²	160	94.3 Å²	94.3	84%	0.838	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	6.2	177.5	-72.2	166	0	0	0	114.5	E272	E272-L276 PolarHBondContact O-N 2.98Å
277	K	32.2	Very low	38.8	Very low	124 Å²	124	88 Å²	88	54%	0.539	43%	0.428	S	S	.	.	S	Bend	trans	-91.6	123.3	175.5	-74.5	170.1	-177.4	153.9	0	109.8	Q273 L275 N279 V280	Q273-K277 VanDerWaalsContact O-CD 3.29Å; Q273-K277 WeakPolarHBondContact O-CD 3.31Å; Q273-K277 WeakPolarHBondContact O-CE 3.23Å; Q273-K277 WeakPolarHBondContact O-CG 3.21Å; Q273-K277 PolarHBondContact O-NZ 3.05Å; L275-K277 PolarHBondContact O-N 2.92Å; K277-N279 PolarHBondContact O-N 3.04Å; K277-V280 VanDerWaalsContact O-CG2 3.26Å; K277-V280 WeakPolarHBondContact O-CG2 3.49Å; K277-V280 PolarHBondContact O-N 3.19Å; K277-V280 VanDerWaalsContact O-N 3.13Å
278	R	30.7	Very low	39.3	Very low	220 Å²	220	80.3 Å²	80.3	83%	0.83	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	4.2	-177.5	-146.6	173.9	-176	173.6	0.1	116.3	E316	R278-E316 IonicContact NH2-OE1 2.65Å
279	N	46	Very low	40.3	Very low	131 Å²	131	76.5 Å²	76.5	70%	0.701	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.5	24.1	-177.3	-64.1	-12.1	0	0	0	112.5	W198 K277 P281	W198-N279 WeakPolarHBondContact CZ2-O 3.35Å; K277-N279 PolarHBondContact O-N 3.04Å; N279-P281 WeakPolarHBondContact O-CD 3.45Å
280	V	42.9	Very low	40.7	Very low	31 Å²	31	74.8 Å²	74.8	19%	0.188	36%	0.363	C	S	.	.			trans	-65.8	128.5	172.2	-174.8	0	0	0	0	109.1	C274 K277 I282 F284 L285	C274-V280 WeakPolarHBondContact O-CG2 3.46Å; K277-V280 VanDerWaalsContact O-CG2 3.26Å; K277-V280 WeakPolarHBondContact O-CG2 3.49Å; K277-V280 PolarHBondContact O-N 3.19Å; K277-V280 VanDerWaalsContact O-N 3.13Å; V280-I282 PolarHBondContact O-N 2.98Å; V280-F284 HydrophobicContact CG1-CD1 4.01Å; V280-L285 HydrophobicContact CB-CD2 4.47Å; V280-L285 HydrophobicContact CB-CG 4.47Å; V280-L285 HydrophobicContact CG1-CD1 4.42Å; V280-L285 HydrophobicContact CG1-CD2 3.75Å; V280-L285 HydrophobicContact CG1-CG 3.79Å
281	P	57.8	Low	40.9	Very low	10 Å²	10	77.1 Å²	77.1	7%	0.065	37%	0.373	C	S	.	.			trans	-61.9	131.5	176.3	-22	33.5	0	0	0	111.4	W198 F200 N279 S283 F284 L285	W198-P281 HydrophobicContact CD2-CB 4.35Å; W198-P281 HydrophobicContact CD2-CG 3.57Å; W198-P281 HydrophobicContact CE3-CG 3.57Å; W198-P281 HydrophobicContact CG-CB 4.48Å; W198-P281 HydrophobicContact CG-CG 4.19Å; W198-P281 HydrophobicContact CH2-CG 3.77Å; W198-P281 HydrophobicContact CZ2-CG 3.78Å; W198-P281 HydrophobicContact CZ3-CG 3.68Å; F200-P281 HydrophobicContact CE1-CG 4.39Å; F200-P281 HydrophobicContact CE2-CB 4.05Å; F200-P281 HydrophobicContact CZ-CB 3.58Å; F200-P281 HydrophobicContact CZ-CG 3.62Å; N279-P281 WeakPolarHBondContact O-CD 3.45Å; P281-S283 PolarHBondContact O-N 3.18Å; P281-F284 HydrophobicContact CB-CB 4.05Å; P281-F284 HydrophobicContact CG-CB 4.45Å; P281-F284 WeakPolarHBondContact O-CA 3.44Å; P281-F284 WeakPolarHBondContact O-CB 3.38Å; P281-F284 PolarHBondContact O-N 3.14Å; P281-L285 PolarHBondContact O-N 3.31Å
282	I	67.4	Low	41	Very low	12 Å²	12	75.6 Å²	75.6	6%	0.062	36%	0.363	C	S	.	.	H	α-helix	trans	-61.1	-37.8	178.2	-65.9	169.2	0	0	0	110.6	Y153 E176 V280 F284 L285 L286 L310	Y153-I282 HydrophobicContact CE2-CD1 3.64Å; Y153-I282 WeakPolarHBondContact OH-CD1 3.42Å; E176-I282 VanDerWaalsContact CD-N 3.31Å; E176-I282 PolarHBondContact OE1-N 2.95Å; E176-I282 PolarHBondContact OE2-N 3.2Å; V280-I282 PolarHBondContact O-N 2.98Å; I282-F284 PolarHBondContact O-N 3.06Å; I282-L285 PolarHBondContact O-N 2.86Å; I282-L286 HydrophobicContact CG2-CD1 3.83Å; I282-L286 HydrophobicContact CG2-CG 4.26Å; I282-L286 WeakPolarHBondContact O-CB 3.41Å; I282-L286 VanDerWaalsContact O-CG 3.28Å; I282-L286 WeakPolarHBondContact O-CG 3.47Å; I282-L286 PolarHBondContact O-N 2.85Å; I282-L310 HydrophobicContact CB-CD2 4.46Å; I282-L310 HydrophobicContact CD1-CD2 3.57Å; I282-L310 HydrophobicContact CG1-CD2 3.79Å; I282-L310 HydrophobicContact CG2-CD2 3.86Å
283	S	57.5	Low	40.9	Very low	0 Å²	0	72.9 Å²	72.9	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-64.8	-26.4	175.6	79.7	0	0	0	0	113.1	E176 N178 F200 P281 E287	E176-S283 PolarHBondContact OE2-N 2.82Å; N178-S283 WeakPolarHBondContact CB-OG 3.48Å; N178-S283 WeakPolarHBondContact ND2-CB 3.49Å; N178-S283 PolarHBondContact ND2-O 3.24Å; N178-S283 PolarHBondContact ND2-OG 2.9Å; F200-S283 WeakPolarHBondContact CD2-OG 3.3Å; F200-S283 WeakPolarHBondContact CE2-OG 3.44Å; P281-S283 PolarHBondContact O-N 3.18Å; S283-E287 PolarHBondContact O-N 3.44Å
284	F	53.8	Low	40.8	Very low	46 Å²	46	73.8 Å²	73.8	20%	0.202	37%	0.367	C	S	.	.	H	α-helix	trans	-76.2	-41.8	172.5	-179.2	-85.1	0	0	0	111.1	L257 V280 P281 I282 L286 N288	L257-F284 HydrophobicContact CD2-CE2 4.5Å; V280-F284 HydrophobicContact CG1-CD1 4.01Å; P281-F284 HydrophobicContact CB-CB 4.05Å; P281-F284 HydrophobicContact CG-CB 4.45Å; P281-F284 WeakPolarHBondContact O-CA 3.44Å; P281-F284 WeakPolarHBondContact O-CB 3.38Å; P281-F284 PolarHBondContact O-N 3.14Å; I282-F284 PolarHBondContact O-N 3.06Å; F284-L286 VanDerWaalsContact C-N 3.31Å; F284-L286 PolarHBondContact O-N 2.97Å; F284-N288 VanDerWaalsContact CD2-ND2 3.31Å; F284-N288 WeakPolarHBondContact CD2-ND2 3.46Å; F284-N288 HydrophobicContact CE1-CB 4.43Å; F284-N288 VanDerWaalsContact CE2-ND2 3.32Å; F284-N288 WeakPolarHBondContact CE2-ND2 3.28Å; F284-N288 WeakPolarHBondContact CG-ND2 3.46Å; F284-N288 WeakPolarHBondContact CZ-ND2 3.46Å; F284-N288 WeakPolarHBondContact O-CB 3.33Å; F284-N288 PolarHBondContact O-N 2.53Å; F284-N288 PolarHBondContact O-ND2 3.23Å
285	L	50.9	Low	40.6	Very low	33 Å²	33	76.6 Å²	76.6	17%	0.173	37%	0.373	C	S	.	.	H	α-helix	trans	-59.8	-42.1	173.7	-66.6	174.4	0	0	0	111.7	L275 V280 P281 I282 K289 F292	L275-L285 HydrophobicContact CD2-CD2 4.36Å; V280-L285 HydrophobicContact CB-CD2 4.47Å; V280-L285 HydrophobicContact CB-CG 4.47Å; V280-L285 HydrophobicContact CG1-CD1 4.42Å; V280-L285 HydrophobicContact CG1-CD2 3.75Å; V280-L285 HydrophobicContact CG1-CG 3.79Å; P281-L285 PolarHBondContact O-N 3.31Å; I282-L285 PolarHBondContact O-N 2.86Å; L285-K289 WeakPolarHBondContact O-CG 3.48Å; L285-K289 PolarHBondContact O-N 3.14Å; L285-F292 HydrophobicContact CD2-CZ 4.32Å
286	L	57.8	Low	40.5	Very low	12 Å²	12	78.5 Å²	78.5	6%	0.063	38%	0.38	C	S	.	.	H	α-helix	trans	-63.9	-49.1	-179.6	-73.7	166.8	0	0	0	112.9	L112 V132 D134 I282 F284 K289	L112-L286 HydrophobicContact CD1-CD2 4.17Å; L112-L286 HydrophobicContact CD2-CD1 4.48Å; L112-L286 HydrophobicContact CD2-CD2 3.89Å; V132-L286 HydrophobicContact CG1-CD1 4.25Å; D134-L286 HydrophobicContact CB-CD1 4.27Å; D134-L286 WeakPolarHBondContact OD2-CB 3.35Å; D134-L286 WeakPolarHBondContact OD2-CD1 3.46Å; I282-L286 HydrophobicContact CG2-CD1 3.83Å; I282-L286 HydrophobicContact CG2-CG 4.26Å; I282-L286 WeakPolarHBondContact O-CB 3.41Å; I282-L286 VanDerWaalsContact O-CG 3.28Å; I282-L286 WeakPolarHBondContact O-CG 3.47Å; I282-L286 PolarHBondContact O-N 2.85Å; F284-L286 VanDerWaalsContact C-N 3.31Å; F284-L286 PolarHBondContact O-N 2.97Å; L286-K289 WeakPolarHBondContact O-CG 3.48Å
287	E	51.2	Low	40.3	Very low	26 Å²	26	73.6 Å²	73.6	12%	0.121	35%	0.352	C	S	.	.	H	α-helix	trans	-69.4	-37.1	177.6	-76.6	-176.6	109	0	0	113.6	S158 F159 N178 R180 S283 K289	S158-E287 WeakPolarHBondContact CB-OE1 3.45Å; S158-E287 WeakPolarHBondContact OG-CG 3.06Å; S158-E287 PolarHBondContact OG-OE1 3.28Å; F159-E287 WeakPolarHBondContact CE2-OE1 3.31Å; N178-E287 PolarHBondContact ND2-OE2 3.38Å; R180-E287 IonicContact CZ-OE1 3.52Å; R180-E287 IonicContact CZ-OE2 2.82Å; R180-E287 IonicContact NE-OE1 3.38Å; R180-E287 PolarHBondContact NE-OE1 3.08Å; R180-E287 IonicContact NE-OE2 2.64Å; R180-E287 PolarHBondContact NE-OE2 2.78Å; R180-E287 IonicContact NH2-OE1 2.74Å; R180-E287 IonicContact NH2-OE2 3.74Å; R180-E287 PolarHBondContact NH2-OE2 3.26Å; S283-E287 PolarHBondContact O-N 3.44Å; E287-K289 VanDerWaalsContact C-N 3.27Å; E287-K289 PolarHBondContact O-N 3.34Å
288	N	39	Very low	40	Very low	25 Å²	25	71.8 Å²	71.8	13%	0.134	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-86.1	9.4	-175	-65	-87.6	0	0	0	113.4	F284 Q290 H291 F292	F284-N288 VanDerWaalsContact CD2-ND2 3.31Å; F284-N288 WeakPolarHBondContact CD2-ND2 3.46Å; F284-N288 HydrophobicContact CE1-CB 4.43Å; F284-N288 VanDerWaalsContact CE2-ND2 3.32Å; F284-N288 WeakPolarHBondContact CE2-ND2 3.28Å; F284-N288 WeakPolarHBondContact CG-ND2 3.46Å; F284-N288 WeakPolarHBondContact CZ-ND2 3.46Å; F284-N288 WeakPolarHBondContact O-CB 3.33Å; F284-N288 PolarHBondContact O-N 2.53Å; F284-N288 PolarHBondContact O-ND2 3.23Å; N288-Q290 PolarHBondContact O-N 3.04Å; N288-H291 HydrophobicContact CB-CB 4.32Å; N288-H291 CarbonylContact O-C 3.39Å; N288-H291 PolarHBondContact O-N 3.07Å; N288-F292 WeakPolarHBondContact O-CD2 3.32Å; N288-F292 VanDerWaalsContact O-CE2 3.31Å; N288-F292 WeakPolarHBondContact O-CE2 3.3Å; N288-F292 PolarHBondContact O-N 3.32Å; N288-F292 VanDerWaalsContact O-N 3.14Å
289	K	44.3	Very low	39.8	Very low	41 Å²	41	62 Å²	62	18%	0.178	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-48.7	-28.4	172.3	-79.1	-172.9	176.9	179.4	0	114.1	L285 L286 E287 L298 I306	L285-K289 WeakPolarHBondContact O-CG 3.48Å; L285-K289 PolarHBondContact O-N 3.14Å; L286-K289 WeakPolarHBondContact O-CG 3.48Å; E287-K289 VanDerWaalsContact C-N 3.27Å; E287-K289 PolarHBondContact O-N 3.34Å; K289-L298 VanDerWaalsContact O-CD1 3.24Å; K289-L298 WeakPolarHBondContact O-CD1 3.35Å; K289-I306 HydrophobicContact CG-CD1 4.33Å
290	Q	35.1	Very low	39.1	Very low	89 Å²	89	58 Å²	58	42%	0.416	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-105.8	12.8	178.8	-59.8	-179.5	-5.4	0	0	113.3	Y71 N288 H885	Y71-Q290 PolarHBondContact OH-NE2 3.4Å; Y71-Q290 VanDerWaalsContact OH-NE2 3.17Å; N288-Q290 PolarHBondContact O-N 3.04Å; Q290-H885 PolarHBondContact NE2-NE2 2.84Å
291	H	29.5	Very low	38.4	Very low	143 Å²	143	58 Å²	58	66%	0.662	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.2	3.7	-178.9	-86.8	21.1	0	0	0	113.7	N288	N288-H291 HydrophobicContact CB-CB 4.32Å; N288-H291 CarbonylContact O-C 3.39Å; N288-H291 PolarHBondContact O-N 3.07Å
292	F	28.9	Very low	37.1	Very low	52 Å²	52	59.7 Å²	59.7	23%	0.228	30%	0.303	C	S	.	.	S	Bend	trans	-55.7	138.5	143.2	-58.8	-79.6	0	0	0	107.6	L275 L285 N288	L275-F292 HydrophobicContact CD1-CD1 4.04Å; L275-F292 HydrophobicContact CD1-CE1 3.67Å; L275-F292 HydrophobicContact CD2-CE1 3.68Å; L275-F292 HydrophobicContact CD2-CZ 4.26Å; L275-F292 HydrophobicContact CG-CE1 4.33Å; L285-F292 HydrophobicContact CD2-CZ 4.32Å; N288-F292 WeakPolarHBondContact O-CD2 3.32Å; N288-F292 VanDerWaalsContact O-CE2 3.31Å; N288-F292 WeakPolarHBondContact O-CE2 3.3Å; N288-F292 PolarHBondContact O-N 3.32Å; N288-F292 VanDerWaalsContact O-N 3.14Å
293	P	24.2	Very low	35.5	Very low	88 Å²	88	60.3 Å²	60.3	57%	0.571	31%	0.308	S	S	*	.			trans	-62.2	139.7	-164.4	22.8	-33.3	0	0	0	112.8	E295 Q296	P293-E295 PolarHBondContact O-N 2.66Å; P293-Q296 PolarHBondContact O-N 3.3Å
294	D	25.3	Very low	34.4	Very low	160 Å²	160	61 Å²	61	86%	0.856	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	48.3	170.3	-72.8	-53.7	0	0	0	112.4
295	E	23.2	Very low	33.6	Very low	132 Å²	132	62.5 Å²	62.5	62%	0.617	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.9	2.1	175.2	-133.6	161.5	-115	0	0	111.5	M268 P293	M268-E295 WeakPolarHBondContact CE-OE1 3.06Å; M268-E295 WeakPolarHBondContact CE-OE2 3.27Å; P293-E295 PolarHBondContact O-N 2.66Å
296	Q	24.7	Very low	33.1	Very low	113 Å²	113	62 Å²	62	53%	0.528	32%	0.32	S	S	.	.	S	Bend	trans	-124.1	119.1	152.3	-65.4	-136.3	-1.1	0	0	110.7	P293 L298 N584	P293-Q296 PolarHBondContact O-N 3.3Å; Q296-L298 PolarHBondContact O-N 3.29Å; Q296-N584 WeakPolarHBondContact CA-OD1 3.37Å; Q296-N584 VanDerWaalsContact CB-ND2 3.33Å; Q296-N584 WeakPolarHBondContact CB-ND2 3.08Å; Q296-N584 VanDerWaalsContact CD-ND2 3.28Å; Q296-N584 HydrophobicContact CG-CB 3.95Å; Q296-N584 WeakPolarHBondContact CG-ND2 3.38Å; Q296-N584 PolarHBondContact OE1-ND2 3.01Å
297	Q	25.2	Very low	32.2	Very low	57 Å²	57	62 Å²	62	27%	0.266	32%	0.32	S	S	.	.			trans	-67.5	108	176.7	-69.2	-175	12.5	0	0	109.3	T299 N580 V583 N584 D614	Q297-T299 PolarHBondContact O-N 3.24Å; Q297-N580 HydrophobicContact CB-CB 3.74Å; Q297-N580 WeakPolarHBondContact CB-ND2 3.3Å; Q297-N580 WeakPolarHBondContact O-CB 3.27Å; Q297-N580 PolarHBondContact O-ND2 3.13Å; Q297-N580 VanDerWaalsContact O-ND2 3.14Å; Q297-N580 PolarHBondContact OE1-OD1 2.91Å; Q297-V583 HydrophobicContact CB-CG1 4.29Å; Q297-V583 HydrophobicContact CG-CG1 3.76Å; Q297-N584 PolarHBondContact N-OD1 3.46Å; Q297-N584 VanDerWaalsContact N-OD1 3.15Å; Q297-D614 PolarHBondContact NE2-OD2 3.1Å
298	L	24.7	Very low	31.8	Very low	87 Å²	87	63 Å²	63	46%	0.455	33%	0.325	S	S	.	.			trans	-60.1	105.3	179.1	-66.5	165.8	0	0	0	110.4	K289 Q296 T302 N580	K289-L298 VanDerWaalsContact O-CD1 3.24Å; K289-L298 WeakPolarHBondContact O-CD1 3.35Å; Q296-L298 PolarHBondContact O-N 3.29Å; L298-T302 HydrophobicContact CD2-CG2 3.66Å; L298-N580 PolarHBondContact O-ND2 3.3Å
299	T	25.7	Very low	31.9	Very low	13 Å²	13	68.5 Å²	68.5	8%	0.08	35%	0.35	C	S	.	.			trans	-62.8	160.9	169.5	34.2	0	0	0	0	109.9	Q297 T301 T302 N578 N580 E581	Q297-T299 PolarHBondContact O-N 3.24Å; T299-T301 WeakPolarHBondContact CB-OG1 3.46Å; T299-T301 PolarHBondContact O-N 2.99Å; T299-T301 VanDerWaalsContact O-N 3.09Å; T299-T301 WeakPolarHBondContact OG1-CB 3.46Å; T299-T301 PolarHBondContact OG1-OG1 3.4Å; T299-T302 PolarHBondContact O-N 3.16Å; T299-T302 PolarHBondContact O-OG1 3.29Å; T299-N578 HydrophobicContact CG2-CB 4.26Å; T299-N580 HydrophobicContact CG2-CB 3.32Å; T299-N580 PolarHBondContact N-ND2 3.46Å; T299-E581 HydrophobicContact CG2-CG 4.47Å
300	T	31.2	Very low	31.8	Very low	47 Å²	47	67.2 Å²	67.2	29%	0.288	35%	0.345	S	S	.	.	H	α-helix	trans	-50.1	-33.1	165.5	37.9	0	0	0	0	111.5	T302 T303 T304 P444	T300-T302 PolarHBondContact O-N 2.99Å; T300-T302 VanDerWaalsContact O-N 3.16Å; T300-T303 PolarHBondContact O-N 3.35Å; T300-T303 VanDerWaalsContact O-N 3.12Å; T300-T304 PolarHBondContact O-N 2.77Å; T300-T304 PolarHBondContact O-OG1 3.42Å; T300-P444 VanDerWaalsContact OG1-CB 3.28Å; T300-P444 WeakPolarHBondContact OG1-CB 3.12Å; T300-P444 WeakPolarHBondContact OG1-CG 3.4Å
301	T	30	Very low	32.2	Very low	32 Å²	32	64 Å²	64	20%	0.196	33%	0.33	C	S	.	.	H	α-helix	trans	-44.4	-37.7	168.7	-40.7	0	0	0	0	114	T299 T304 N305 T446	T299-T301 WeakPolarHBondContact CB-OG1 3.46Å; T299-T301 PolarHBondContact O-N 2.99Å; T299-T301 VanDerWaalsContact O-N 3.09Å; T299-T301 WeakPolarHBondContact OG1-CB 3.46Å; T299-T301 PolarHBondContact OG1-OG1 3.4Å; T301-T304 WeakPolarHBondContact CA-OG1 3.4Å; T301-T304 PolarHBondContact O-N 3.18Å; T301-T304 PolarHBondContact O-OG1 3.32Å; T301-N305 VanDerWaalsContact O-CB 3.25Å; T301-N305 WeakPolarHBondContact O-CB 3.5Å; T301-N305 PolarHBondContact O-N 2.67Å; T301-N305 PolarHBondContact O-OD1 3.44Å; T301-T446 HydrophobicContact CG2-CG2 3.4Å
302	T	29.6	Very low	32.9	Very low	45 Å²	45	60.9 Å²	60.9	28%	0.276	32%	0.318	S	S	.	.	H	α-helix	trans	-78.7	-33.2	-177.2	-24.6	0	0	0	0	112.5	L298 T299 T300 T304 N305 I306	L298-T302 HydrophobicContact CD2-CG2 3.66Å; T299-T302 PolarHBondContact O-N 3.16Å; T299-T302 PolarHBondContact O-OG1 3.29Å; T300-T302 PolarHBondContact O-N 2.99Å; T300-T302 VanDerWaalsContact O-N 3.16Å; T302-T304 VanDerWaalsContact C-N 3.31Å; T302-N305 PolarHBondContact O-N 2.92Å; T302-I306 WeakPolarHBondContact O-CG1 3.34Å; T302-I306 PolarHBondContact O-N 2.85Å
303	T	34.1	Very low	33.6	Very low	25 Å²	25	62.5 Å²	62.5	15%	0.153	32%	0.324	C	S	.	.	H	α-helix	trans	-61.9	-44.7	170.1	-59.4	0	0	0	0	109.6	Q70 T300 V307	Q70-T303 PolarHBondContact NE2-OG1 3.27Å; T300-T303 PolarHBondContact O-N 3.35Å; T300-T303 VanDerWaalsContact O-N 3.12Å; T303-V307 VanDerWaalsContact O-CG2 3.3Å; T303-V307 WeakPolarHBondContact O-CG2 2.83Å; T303-V307 PolarHBondContact O-N 3.49Å
304	T	33.5	Very low	34.6	Very low	16 Å²	16	59 Å²	59	10%	0.098	30%	0.299	C	S	.	.	H	α-helix	trans	-75.8	-27.5	179.1	36	0	0	0	0	114.4	T300 T301 T302 V307 H308 T446	T300-T304 PolarHBondContact O-N 2.77Å; T300-T304 PolarHBondContact O-OG1 3.42Å; T301-T304 WeakPolarHBondContact CA-OG1 3.4Å; T301-T304 PolarHBondContact O-N 3.18Å; T301-T304 PolarHBondContact O-OG1 3.32Å; T302-T304 VanDerWaalsContact C-N 3.31Å; T304-V307 CarbonylContact O-C 3.26Å; T304-V307 WeakPolarHBondContact O-CB 3.31Å; T304-V307 PolarHBondContact O-N 3.36Å; T304-H308 WeakPolarHBondContact O-CB 3.41Å; T304-H308 PolarHBondContact O-N 3.35Å; T304-T446 WeakPolarHBondContact CB-OG1 3.43Å; T304-T446 WeakPolarHBondContact CG2-OG1 3.37Å; T304-T446 VanDerWaalsContact OG1-CB 3.29Å; T304-T446 WeakPolarHBondContact OG1-CB 3.5Å; T304-T446 PolarHBondContact OG1-OG1 2.77Å
305	N	36.8	Very low	35.3	Very low	77 Å²	77	57 Å²	57	41%	0.412	28%	0.283	S	S	.	.	H	α-helix	trans	-69.3	-42.2	171.7	-77.1	-0.4	0	0	0	111.2	T301 T302 V307 H308 E309	T301-N305 VanDerWaalsContact O-CB 3.25Å; T301-N305 WeakPolarHBondContact O-CB 3.5Å; T301-N305 PolarHBondContact O-N 2.67Å; T301-N305 PolarHBondContact O-OD1 3.44Å; T302-N305 PolarHBondContact O-N 2.92Å; N305-V307 VanDerWaalsContact C-N 3.27Å; N305-V307 PolarHBondContact O-N 3.39Å; N305-H308 CarbonylContact O-C 3.51Å; N305-H308 WeakPolarHBondContact O-CA 3.4Å; N305-H308 PolarHBondContact O-N 3.22Å; N305-E309 PolarHBondContact O-N 3.16Å
306	I	40.2	Very low	36.2	Very low	22 Å²	22	55.1 Å²	55.1	11%	0.113	27%	0.274	C	S	.	.	H	α-helix	trans	-59.7	-41.5	170.4	-68.5	167.9	0	0	0	109.9	K289 T302 H308 L310	K289-I306 HydrophobicContact CG-CD1 4.33Å; T302-I306 WeakPolarHBondContact O-CG1 3.34Å; T302-I306 PolarHBondContact O-N 2.85Å; I306-H308 VanDerWaalsContact C-N 3.31Å; I306-H308 PolarHBondContact O-N 3.39Å; I306-L310 HydrophobicContact CG2-CD1 3.94Å; I306-L310 HydrophobicContact CG2-CG 4.49Å; I306-L310 VanDerWaalsContact O-CB 3.26Å; I306-L310 WeakPolarHBondContact O-CB 3.48Å; I306-L310 WeakPolarHBondContact O-CD1 3.21Å; I306-L310 WeakPolarHBondContact O-CG 3.3Å; I306-L310 PolarHBondContact O-N 3.11Å
307	V	40.9	Very low	36.9	Very low	13 Å²	13	54.1 Å²	54.1	8%	0.079	27%	0.268	C	S	.	.	H	α-helix	trans	-63.7	-34.5	172.1	170.4	0	0	0	0	112	F66 Y88 T303 T304 N305 L311	F66-V307 HydrophobicContact CD1-CG1 4.36Å; F66-V307 HydrophobicContact CE1-CG1 4.49Å; Y88-V307 HydrophobicContact CD2-CG1 4.45Å; Y88-V307 HydrophobicContact CD2-CG2 4.23Å; Y88-V307 HydrophobicContact CE1-CG2 4.24Å; Y88-V307 HydrophobicContact CE2-CG1 4.44Å; Y88-V307 HydrophobicContact CE2-CG2 3.44Å; Y88-V307 VanDerWaalsContact CE2-CG2 3.44Å; Y88-V307 VanDerWaalsContact CZ-CG2 3.42Å; Y88-V307 WeakPolarHBondContact OH-CG2 3.35Å; T303-V307 VanDerWaalsContact O-CG2 3.3Å; T303-V307 WeakPolarHBondContact O-CG2 2.83Å; T303-V307 PolarHBondContact O-N 3.49Å; T304-V307 CarbonylContact O-C 3.26Å; T304-V307 WeakPolarHBondContact O-CB 3.31Å; T304-V307 PolarHBondContact O-N 3.36Å; N305-V307 VanDerWaalsContact C-N 3.27Å; N305-V307 PolarHBondContact O-N 3.39Å; V307-L311 HydrophobicContact CG1-CD1 3.7Å; V307-L311 HydrophobicContact CG1-CG 4.2Å; V307-L311 WeakPolarHBondContact O-CB 3.36Å; V307-L311 WeakPolarHBondContact O-CD1 3.36Å; V307-L311 WeakPolarHBondContact O-CG 3.39Å; V307-L311 PolarHBondContact O-N 3.22Å
308	H	41.1	Very low	37.7	Very low	47 Å²	47	55.5 Å²	55.5	22%	0.218	28%	0.275	C	S	.	.	H	α-helix	trans	-75.8	-38.4	-179.7	-121.4	-80.4	0	0	0	113.2	T304 N305 I306 L311 N312 T446 K447	T304-H308 WeakPolarHBondContact O-CB 3.41Å; T304-H308 PolarHBondContact O-N 3.35Å; N305-H308 CarbonylContact O-C 3.51Å; N305-H308 WeakPolarHBondContact O-CA 3.4Å; N305-H308 PolarHBondContact O-N 3.22Å; I306-H308 VanDerWaalsContact C-N 3.31Å; I306-H308 PolarHBondContact O-N 3.39Å; H308-L311 PolarHBondContact O-N 3.41Å; H308-N312 WeakPolarHBondContact O-CB 3.44Å; H308-N312 VanDerWaalsContact O-CG 3.24Å; H308-N312 PolarHBondContact O-N 3.45Å; H308-T446 PolarHBondContact CD2-O 2.95Å; H308-K447 VanDerWaalsContact NE2-CG 3.25Å; H308-K447 WeakPolarHBondContact NE2-CG 3.35Å
309	E	42	Very low	38.2	Very low	139 Å²	139	56.9 Å²	56.9	65%	0.65	28%	0.279	S	S	*	.	H	α-helix	trans	-66.8	-44.9	171.6	-71.4	-169.3	127.4	0	0	110.9	N305 L311 N312 Y313	N305-E309 PolarHBondContact O-N 3.16Å; E309-L311 VanDerWaalsContact C-N 3.34Å; E309-L311 PolarHBondContact O-N 2.93Å; E309-N312 PolarHBondContact O-N 2.81Å; E309-Y313 WeakPolarHBondContact O-CB 3.5Å; E309-Y313 PolarHBondContact O-N 3.4Å
310	L	41.6	Very low	38.5	Very low	15 Å²	15	62.9 Å²	62.9	8%	0.079	31%	0.306	C	S	.	.	H	α-helix	trans	-57.8	-46.5	171.1	-73.1	172.1	0	0	0	110.8	I282 I306 N312 Y313 F314	I282-L310 HydrophobicContact CB-CD2 4.46Å; I282-L310 HydrophobicContact CD1-CD2 3.57Å; I282-L310 HydrophobicContact CG1-CD2 3.79Å; I282-L310 HydrophobicContact CG2-CD2 3.86Å; I306-L310 HydrophobicContact CG2-CD1 3.94Å; I306-L310 HydrophobicContact CG2-CG 4.49Å; I306-L310 VanDerWaalsContact O-CB 3.26Å; I306-L310 WeakPolarHBondContact O-CB 3.48Å; I306-L310 WeakPolarHBondContact O-CD1 3.21Å; I306-L310 WeakPolarHBondContact O-CG 3.3Å; I306-L310 PolarHBondContact O-N 3.11Å; L310-N312 PolarHBondContact O-N 3.22Å; L310-Y313 WeakPolarHBondContact O-CB 3.24Å; L310-Y313 PolarHBondContact O-N 2.93Å; L310-F314 HydrophobicContact CB-CD2 4.4Å; L310-F314 HydrophobicContact CB-CE2 4.14Å; L310-F314 WeakPolarHBondContact O-CD2 3.42Å; L310-F314 WeakPolarHBondContact O-CG 3.47Å; L310-F314 PolarHBondContact O-N 3.48Å
311	L	44.9	Very low	38.5	Very low	22 Å²	22	66.8 Å²	66.8	12%	0.115	33%	0.325	C	S	.	.	H	α-helix	trans	-64.9	-35.5	177.9	-82.1	169.3	0	0	0	113.4	F66 V307 H308 E309 F314 K315	F66-L311 HydrophobicContact CD1-CD1 4.34Å; F66-L311 HydrophobicContact CE1-CD1 3.48Å; F66-L311 VanDerWaalsContact CE1-CD1 3.48Å; F66-L311 HydrophobicContact CE1-CD2 3.71Å; F66-L311 HydrophobicContact CE1-CG 4.04Å; F66-L311 HydrophobicContact CZ-CD1 3.69Å; F66-L311 HydrophobicContact CZ-CD2 3.7Å; F66-L311 HydrophobicContact CZ-CG 4.31Å; V307-L311 HydrophobicContact CG1-CD1 3.7Å; V307-L311 HydrophobicContact CG1-CG 4.2Å; V307-L311 WeakPolarHBondContact O-CB 3.36Å; V307-L311 WeakPolarHBondContact O-CD1 3.36Å; V307-L311 WeakPolarHBondContact O-CG 3.39Å; V307-L311 PolarHBondContact O-N 3.22Å; H308-L311 PolarHBondContact O-N 3.41Å; E309-L311 VanDerWaalsContact C-N 3.34Å; E309-L311 PolarHBondContact O-N 2.93Å; L311-F314 PolarHBondContact O-N 3.49Å; L311-K315 WeakPolarHBondContact O-CB 3.44Å; L311-K315 WeakPolarHBondContact O-CG 3.27Å; L311-K315 PolarHBondContact O-N 3.12Å
312	N	44.2	Very low	38.5	Very low	76 Å²	76	68.2 Å²	68.2	41%	0.406	34%	0.336	S	S	.	.	H	α-helix	trans	-69.3	-43.5	174.7	-75.8	-5.4	0	0	0	110	H308 E309 L310 F314 K315 E316	H308-N312 WeakPolarHBondContact O-CB 3.44Å; H308-N312 VanDerWaalsContact O-CG 3.24Å; H308-N312 PolarHBondContact O-N 3.45Å; E309-N312 PolarHBondContact O-N 2.81Å; L310-N312 PolarHBondContact O-N 3.22Å; N312-F314 VanDerWaalsContact C-N 3.28Å; N312-F314 PolarHBondContact O-N 3.32Å; N312-K315 PolarHBondContact O-N 2.98Å; N312-K315 VanDerWaalsContact O-N 3.15Å; N312-E316 WeakPolarHBondContact O-CB 3.3Å; N312-E316 WeakPolarHBondContact O-CG 3.42Å; N312-E316 PolarHBondContact O-N 2.84Å
313	Y	42.9	Very low	38.6	Very low	87 Å²	87	71.1 Å²	71.1	34%	0.341	35%	0.349	S	S	.	.	H	α-helix	trans	-58.7	-37.2	171.1	179.9	-93.9	0	0	0	112.8	Y153 E309 L310 K317	Y153-Y313 AromaticContact CE2-CE1 3.64Å; Y153-Y313 HydrophobicContact CE2-CE1 3.64Å; Y153-Y313 AromaticContact CZ-CE1 3.78Å; Y153-Y313 WeakPolarHBondContact OH-CE1 3.34Å; E309-Y313 WeakPolarHBondContact O-CB 3.5Å; E309-Y313 PolarHBondContact O-N 3.4Å; L310-Y313 WeakPolarHBondContact O-CB 3.24Å; L310-Y313 PolarHBondContact O-N 2.93Å; Y313-K317 HydrophobicContact CE1-CD 3.92Å; Y313-K317 PolarHBondContact O-N 2.8Å; Y313-K317 VanDerWaalsContact O-N 3.11Å; Y313-K317 WeakPolarHBondContact OH-CE 3.21Å; Y313-K317 PolarHBondContact OH-NZ 3.36Å
314	F	44.1	Very low	38.4	Very low	13 Å²	13	77.1 Å²	77.1	6%	0.057	38%	0.379	C	S	.	.	H	α-helix	trans	-71.3	-39.4	172.6	-73.8	-57.2	0	0	0	113.4	I110 N131 V132 Y153 L310 L311 N312 K317 E318	I110-F314 HydrophobicContact CD1-CD2 3.91Å; I110-F314 HydrophobicContact CD1-CE2 3.5Å; I110-F314 HydrophobicContact CD1-CZ 4.43Å; I110-F314 HydrophobicContact CG1-CE2 3.8Å; I110-F314 HydrophobicContact CG1-CZ 4.27Å; N131-F314 HydrophobicContact CB-CE1 3.67Å; N131-F314 HydrophobicContact CB-CZ 4.07Å; V132-F314 HydrophobicContact CG2-CE2 4.39Å; V132-F314 HydrophobicContact CG2-CZ 3.7Å; Y153-F314 HydrophobicContact CD1-CE1 4.41Å; Y153-F314 AromaticContact CE1-CE1 3.4Å; Y153-F314 HydrophobicContact CE1-CE1 3.4Å; Y153-F314 AromaticContact CE1-CZ 3.52Å; Y153-F314 HydrophobicContact CE1-CZ 3.52Å; Y153-F314 AromaticContact CZ-CE1 3.77Å; Y153-F314 AromaticContact CZ-CZ 3.73Å; Y153-F314 WeakPolarHBondContact OH-CE1 3.39Å; Y153-F314 WeakPolarHBondContact OH-CZ 3.49Å; L310-F314 HydrophobicContact CB-CD2 4.4Å; L310-F314 HydrophobicContact CB-CE2 4.14Å; L310-F314 WeakPolarHBondContact O-CD2 3.42Å; L310-F314 WeakPolarHBondContact O-CG 3.47Å; L310-F314 PolarHBondContact O-N 3.48Å; L311-F314 PolarHBondContact O-N 3.49Å; N312-F314 VanDerWaalsContact C-N 3.28Å; N312-F314 PolarHBondContact O-N 3.32Å; F314-K317 PolarHBondContact O-N 3.38Å; F314-E318 WeakPolarHBondContact O-CB 3.32Å; F314-E318 PolarHBondContact O-N 3.25Å
315	K	41.7	Very low	38	Very low	119 Å²	119	87.1 Å²	87.1	52%	0.517	42%	0.415	S	S	.	.	H	α-helix	trans	-65	-43.5	174.5	-81.3	177.7	171.3	-174.1	0	111.3	L311 N312 K317 E318 Q319	L311-K315 WeakPolarHBondContact O-CB 3.44Å; L311-K315 WeakPolarHBondContact O-CG 3.27Å; L311-K315 PolarHBondContact O-N 3.12Å; N312-K315 PolarHBondContact O-N 2.98Å; N312-K315 VanDerWaalsContact O-N 3.15Å; K315-K317 VanDerWaalsContact C-N 3.34Å; K315-K317 PolarHBondContact O-N 3.19Å; K315-E318 PolarHBondContact O-N 2.68Å; K315-Q319 VanDerWaalsContact O-CB 3.26Å; K315-Q319 WeakPolarHBondContact O-CB 3.19Å; K315-Q319 VanDerWaalsContact O-CG 3.32Å; K315-Q319 WeakPolarHBondContact O-CG 3.33Å; K315-Q319 PolarHBondContact O-N 2.88Å
316	E	41.7	Very low	37.4	Very low	92 Å²	92	87 Å²	87	43%	0.43	43%	0.425	S	S	.	.	H	α-helix	trans	-58.7	-45.7	174.4	-74.7	-179	171.1	0	0	110.4	R278 N312 Q319 H320	R278-E316 IonicContact NH2-OE1 2.65Å; N312-E316 WeakPolarHBondContact O-CB 3.3Å; N312-E316 WeakPolarHBondContact O-CG 3.42Å; N312-E316 PolarHBondContact O-N 2.84Å; E316-Q319 PolarHBondContact O-N 3.07Å; E316-H320 PolarHBondContact O-CD2 2.99Å; E316-H320 VanDerWaalsContact O-CD2 3.3Å; E316-H320 PolarHBondContact O-N 2.94Å
317	K	39.7	Very low	36.7	Very low	93 Å²	93	93.2 Å²	93.2	40%	0.404	46%	0.458	S	S	.	.	H	α-helix	trans	-66.5	-41.6	175.1	-86.2	-176.7	165.9	174.4	0	114	Y313 F314 K315 H320 D321	Y313-K317 HydrophobicContact CE1-CD 3.92Å; Y313-K317 PolarHBondContact O-N 2.8Å; Y313-K317 VanDerWaalsContact O-N 3.11Å; Y313-K317 WeakPolarHBondContact OH-CE 3.21Å; Y313-K317 PolarHBondContact OH-NZ 3.36Å; F314-K317 PolarHBondContact O-N 3.38Å; K315-K317 VanDerWaalsContact C-N 3.34Å; K315-K317 PolarHBondContact O-N 3.19Å; K317-H320 PolarHBondContact O-N 3.07Å; K317-D321 PolarHBondContact O-N 3.31Å
318	E	41	Very low	35.9	Very low	86 Å²	86	97.9 Å²	97.9	40%	0.402	49%	0.492	S	S	.	.	H	α-helix	trans	-68.9	-32.6	175	-81.5	-159.8	126.4	0	0	112.9	R109 F314 K315 D321 S322	R109-E318 IonicContact CZ-OE1 3.85Å; R109-E318 IonicContact CZ-OE2 3.1Å; R109-E318 IonicContact NH1-OE1 3.6Å; R109-E318 PolarHBondContact NH1-OE1 2.99Å; R109-E318 IonicContact NH1-OE2 3.6Å; R109-E318 PolarHBondContact NH1-OE2 3.31Å; R109-E318 VanDerWaalsContact NH2-CD 3.3Å; R109-E318 IonicContact NH2-OE1 2.99Å; R109-E318 PolarHBondContact NH2-OE1 2.88Å; R109-E318 IonicContact NH2-OE2 2.78Å; R109-E318 PolarHBondContact NH2-OE2 3.15Å; F314-E318 WeakPolarHBondContact O-CB 3.32Å; F314-E318 PolarHBondContact O-N 3.25Å; K315-E318 PolarHBondContact O-N 2.68Å; E318-D321 PolarHBondContact O-N 2.96Å; E318-S322 VanDerWaalsContact O-CB 3.29Å; E318-S322 WeakPolarHBondContact O-CB 3.47Å; E318-S322 PolarHBondContact O-N 3.07Å; E318-S322 PolarHBondContact O-OG 2.86Å
319	Q	35	Very low	35.2	Very low	116 Å²	116	101.9 Å²	101.9	54%	0.542	52%	0.519	S	S	.	.	H	α-helix	trans	-66.4	-40.2	171.6	-78.7	-179.3	-27.3	0	0	110.4	K315 E316 D321 S322 I323	K315-Q319 VanDerWaalsContact O-CB 3.26Å; K315-Q319 WeakPolarHBondContact O-CB 3.19Å; K315-Q319 VanDerWaalsContact O-CG 3.32Å; K315-Q319 WeakPolarHBondContact O-CG 3.33Å; K315-Q319 PolarHBondContact O-N 2.88Å; E316-Q319 PolarHBondContact O-N 3.07Å; Q319-D321 PolarHBondContact O-N 2.96Å; Q319-S322 WeakPolarHBondContact CA-OG 3.34Å; Q319-S322 PolarHBondContact O-N 2.94Å; Q319-S322 PolarHBondContact O-OG 3.16Å; Q319-I323 HydrophobicContact CB-CD1 4.08Å; Q319-I323 WeakPolarHBondContact O-CB 3.42Å; Q319-I323 WeakPolarHBondContact O-CD1 3.41Å; Q319-I323 WeakPolarHBondContact O-CG1 3.43Å; Q319-I323 PolarHBondContact O-N 3.11Å
320	H	33	Very low	34.5	Very low	138 Å²	138	102.5 Å²	102.5	64%	0.639	53%	0.527	S	S	*	.	H	α-helix	trans	-62.7	-39.3	170.2	-84.9	-69.3	0	0	0	113.5	E316 K317 S322	E316-H320 PolarHBondContact O-CD2 2.99Å; E316-H320 VanDerWaalsContact O-CD2 3.3Å; E316-H320 PolarHBondContact O-N 2.94Å; K317-H320 PolarHBondContact O-N 3.07Å; H320-S322 VanDerWaalsContact C-N 3.32Å; H320-S322 PolarHBondContact O-N 3.36Å
321	D	30.8	Very low	33.7	Very low	129 Å²	129	109.3 Å²	109.3	69%	0.69	56%	0.563	S	S	*	*	H	α-helix	trans	-72.5	-17.6	175.5	-83.8	-11.3	0	0	0	113.9	K317 E318 Q319	K317-D321 PolarHBondContact O-N 3.31Å; E318-D321 PolarHBondContact O-N 2.96Å; Q319-D321 PolarHBondContact O-N 2.96Å
322	S	30.4	Very low	32.7	Very low	62 Å²	62	113.4 Å²	113.4	43%	0.434	59%	0.594	S	S	.	*	H	α-helix	trans	-110.9	-26.6	-176.6	56.8	0	0	0	0	115.1	E318 Q319 H320 L324 R325	E318-S322 VanDerWaalsContact O-CB 3.29Å; E318-S322 WeakPolarHBondContact O-CB 3.47Å; E318-S322 PolarHBondContact O-N 3.07Å; E318-S322 PolarHBondContact O-OG 2.86Å; Q319-S322 WeakPolarHBondContact CA-OG 3.34Å; Q319-S322 PolarHBondContact O-N 2.94Å; Q319-S322 PolarHBondContact O-OG 3.16Å; H320-S322 VanDerWaalsContact C-N 3.32Å; H320-S322 PolarHBondContact O-N 3.36Å; S322-L324 PolarHBondContact O-N 2.86Å; S322-R325 WeakPolarHBondContact O-CA 3.32Å; S322-R325 WeakPolarHBondContact O-CB 3.33Å; S322-R325 PolarHBondContact O-N 3.29Å
323	I	30.2	Very low	31.9	Very low	106 Å²	106	117.1 Å²	117.1	54%	0.544	61%	0.612	S	S	.	*	H	α-helix	trans	-66.5	-26.1	168.7	-68.3	167.3	0	0	0	110.2	Q319 R325 A326	Q319-I323 HydrophobicContact CB-CD1 4.08Å; Q319-I323 WeakPolarHBondContact O-CB 3.42Å; Q319-I323 WeakPolarHBondContact O-CD1 3.41Å; Q319-I323 WeakPolarHBondContact O-CG1 3.43Å; Q319-I323 PolarHBondContact O-N 3.11Å; I323-R325 PolarHBondContact O-N 3.11Å; I323-R325 VanDerWaalsContact O-N 3.12Å; I323-A326 PolarHBondContact O-N 2.93Å
324	L	29.8	Very low	31	Very low	152 Å²	152	119.9 Å²	119.9	80%	0.796	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	9.3	165.5	-72.9	172.7	0	0	0	114.5	S322	S322-L324 PolarHBondContact O-N 2.86Å
325	R	25.7	Very low	30	Very low	225 Å²	225	125.1 Å²	125.1	85%	0.849	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.6	4.8	173.1	-88.3	-174.4	169.1	-160.2	-4.1	114.9	S322 I323	S322-R325 WeakPolarHBondContact O-CA 3.32Å; S322-R325 WeakPolarHBondContact O-CB 3.33Å; S322-R325 PolarHBondContact O-N 3.29Å; I323-R325 PolarHBondContact O-N 3.11Å; I323-R325 VanDerWaalsContact O-N 3.12Å
326	A	25.1	Very low	29.2	Very low	74 Å²	74	124.8 Å²	124.8	61%	0.612	68%	0.684	S	S	*	*	S	Bend	trans	-130.1	53.6	-177.6	0	0	0	0	0	112.3	I323	I323-A326 PolarHBondContact O-N 2.93Å
327	N	25.2	Very low	28.2	Very low	153 Å²	153	126.4 Å²	126.4	82%	0.818	70%	0.7	S	S	*	*			trans	-159.3	79	169.1	-98.9	-43.9	0	0	0	110.1
328	S	24.1	Very low	27.5	Very low	112 Å²	112	130.1 Å²	130.1	78%	0.783	72%	0.719	S	S	*	*			trans	-156.3	63.6	176.9	66.2	0	0	0	0	112.3
329	V	26.9	Very low	26.7	Very low	130 Å²	130	133.4 Å²	133.4	79%	0.788	74%	0.739	S	S	*	*			trans	-127.8	128	164.7	179.8	0	0	0	0	108.4
330	D	27.1	Very low	26	Very low	152 Å²	152	135.3 Å²	135.3	81%	0.813	75%	0.752	S	S	*	*			trans	53.5	120.8	166	-59.9	-20.3	0	0	0	122.3
331	N	24.1	Very low	25.5	Very low	158 Å²	158	135 Å²	135	85%	0.845	76%	0.76	S	S	*	*			trans	-70.7	148.2	162.4	-51	-91.6	0	0	0	110.6
332	S	24.7	Very low	25.2	Very low	108 Å²	108	133.5 Å²	133.5	76%	0.755	77%	0.766	S	S	*	*				-170.7	136.4	125.3	33.1	0	0	0	0	115.5
333	I	27.8	Very low	24.8	Very low	154 Å²	154	139.1 Å²	139.1	79%	0.79	79%	0.79	S	S	*	*			trans	62.7	98	142.9	-56.8	166.4	0	0	0	119
334	N	22.4	Very low	24.3	Very low	146 Å²	146	142 Å²	142	78%	0.781	80%	0.803	S	S	*	*				24.4	144.2	129.4	-66.4	-14.9	0	0	0	123
335	S	23	Very low	24	Very low	122 Å²	122	140.6 Å²	140.6	85%	0.853	80%	0.796	S	S	*	*			trans	76.2	148.2	160	77.5	0	0	0	0	116.4
336	S	25.2	Very low	24	Very low	113 Å²	113	141.4 Å²	141.4	79%	0.79	80%	0.801	S	S	*	*			cis	-138.4	160.8	7.8	52.6	0	0	0	0	113.5
337	T	21.9	Very low	24	Very low	125 Å²	125	143.1 Å²	143.1	77%	0.767	80%	0.8	S	S	*	*			trans	-71.5	139.5	165.8	46.7	0	0	0	0	111.5
338	E	23.7	Very low	23.9	Very low	172 Å²	172	142.5 Å²	142.5	80%	0.804	80%	0.796	S	S	*	*			trans	167.9	112.5	131.6	-96.1	170.1	-160.1	0	0	112
339	N	24.7	Very low	23.9	Very low	155 Å²	155	141.9 Å²	141.9	83%	0.829	79%	0.792	S	S	*	*				170.1	129	115.5	-93.8	-69.3	0	0	0	111.5
340	L	20.5	Very low	23.8	Very low	156 Å²	156	141.3 Å²	141.3	82%	0.817	79%	0.789	S	S	*	*			trans	-139.9	145.5	170.1	-107.5	171.1	0	0	0	109
341	T	22.7	Very low	23.7	Very low	132 Å²	132	142.5 Å²	142.5	81%	0.81	80%	0.795	S	S	*	*			trans	54.1	96.2	166.1	49.7	0	0	0	0	118.5
342	A	23.4	Very low	23.7	Very low	97 Å²	97	139.3 Å²	139.3	80%	0.802	79%	0.785	S	S	*	*			trans	-159.5	77.4	147.9	0	0	0	0	0	113
343	L	22.7	Very low	23.5	Very low	179 Å²	179	145 Å²	145	94%	0.937	79%	0.79	S	S	*	*			trans	-176.3	115.9	145.2	-104.6	158.6	0	0	0	110.8
344	M	20.4	Very low	23.3	Very low	166 Å²	166	145.2 Å²	145.2	82%	0.818	79%	0.792	S	S	*	*			trans	-133.8	146.4	172	-120	-176.5	-179	0	0	108.3
345	N	23.4	Very low	23.4	Very low	124 Å²	124	147 Å²	147	66%	0.663	80%	0.796	S	S	*	*			trans	65	112.3	164.6	-50.5	-12.7	0	0	0	117.6
346	Y	25.5	Very low	23.4	Very low	241 Å²	241	150.3 Å²	150.3	95%	0.945	80%	0.798	S	S	*	*				-139	162.4	108.4	-118.2	-84.9	0	0	0	109.7
347	N	23.9	Very low	23.4	Very low	111 Å²	111	152.3 Å²	152.3	59%	0.594	80%	0.8	S	S	*	*			trans	-125.8	156.2	-149.2	-115.4	55.5	0	0	0	113.8
348	D	23.4	Very low	23.5	Very low	139 Å²	139	153 Å²	153	74%	0.743	80%	0.798	S	S	*	*			trans	63.1	155.1	150.7	-63.8	-43.8	0	0	0	119.7
349	S	25.1	Very low	23.5	Very low	99 Å²	99	149.2 Å²	149.2	69%	0.692	80%	0.796	S	S	*	*			cis	-173.8	172.9	-23.7	62.4	0	0	0	0	107.8
350	T	23.6	Very low	23.5	Very low	119 Å²	119	151.5 Å²	151.5	73%	0.73	80%	0.795	S	S	*	*			cis	-143.1	164.5	4.4	68.8	0	0	0	0	109.6
351	L	25.6	Very low	23.7	Very low	177 Å²	177	150.5 Å²	150.5	93%	0.927	79%	0.79	S	S	*	*			trans	-149.9	163.2	133	-145.7	77.8	0	0	0	109.9
352	S	23.4	Very low	23.9	Very low	91 Å²	91	148.8 Å²	148.8	64%	0.636	78%	0.783	S	S	*	*			trans	-106	155.5	-157.3	73.3	0	0	0	0	116.6
353	R	21.8	Very low	24	Very low	226 Å²	226	149.9 Å²	149.9	85%	0.853	78%	0.775	S	S	*	*			trans	71.7	88.4	159.3	-64.5	177.3	165.3	127.3	-5.6	117.3
354	N	23.1	Very low	24.2	Very low	159 Å²	159	146.6 Å²	146.6	85%	0.85	76%	0.759	S	S	*	*				-171.5	59.8	124.7	-97.9	-18.9	0	0	0	113.4
355	E	23.7	Very low	24.6	Very low	183 Å²	183	144.7 Å²	144.7	86%	0.855	75%	0.751	S	S	*	*			trans	-125.5	100.5	173.6	-70.1	-158.5	129.7	0	0	112.8
356	Q	24.3	Very low	24.7	Very low	192 Å²	192	142.1 Å²	142.1	90%	0.897	74%	0.743	S	S	*	*	S	Bend	trans	-154.9	6.6	156.3	-124.9	174.3	17.5	0	0	115.2
357	N	24.5	Very low	24.8	Very low	155 Å²	155	135.7 Å²	135.7	83%	0.829	73%	0.725	S	S	*	*	S	Bend	trans	-135.2	4.8	-174.6	-90	-40.4	0	0	0	116.1
358	L	24.7	Very low	24.9	Very low	140 Å²	140	136.5 Å²	136.5	73%	0.733	73%	0.728	S	S	*	*	S	Bend	trans	-101	-4.3	-178.1	-89.2	163.8	0	0	0	115.5	Y360	L358-Y360 VanDerWaalsContact C-N 3.28Å; L358-Y360 PolarHBondContact O-N 2.98Å
359	A	23.8	Very low	25	Very low	92 Å²	92	135.4 Å²	135.4	76%	0.76	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	-0.8	-179.9	0	0	0	0	0	115.2
360	Y	25	Very low	25	Very low	204 Å²	204	137.4 Å²	137.4	80%	0.8	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	-4.3	-171	-136	-91.7	0	0	0	115.4	L358	L358-Y360 VanDerWaalsContact C-N 3.28Å; L358-Y360 PolarHBondContact O-N 2.98Å
361	L	24.7	Very low	25.1	Very low	135 Å²	135	135.5 Å²	135.5	71%	0.707	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	-19.8	-176.1	-87.4	160.5	0	0	0	114.9
362	S	24.9	Very low	25.1	Very low	96 Å²	96	134 Å²	134	67%	0.671	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-36.2	-179	-172.3	0	0	0	0	113.5	N364	S362-N364 PolarHBondContact O-N 2.9Å
363	N	27	Very low	25	Very low	120 Å²	120	136.7 Å²	136.7	64%	0.642	71%	0.71	S	S	*	*	H	α-helix	trans	-79	-7.7	-172.4	-75	-20.5	0	0	0	115.8	N367	N363-N367 PolarHBondContact O-ND2 3.03Å
364	N	27.1	Very low	25.1	Very low	110 Å²	110	130.5 Å²	130.5	59%	0.588	70%	0.702	S	S	*	*	H	α-helix	trans	-90.8	-16.3	-179.4	-76.1	-44.8	0	0	0	114	S362	S362-N364 PolarHBondContact O-N 2.9Å
365	L	27.1	Very low	25	Very low	126 Å²	126	131.4 Å²	131.4	66%	0.66	71%	0.706	S	S	*	*	H	α-helix	trans	-82.7	-33.2	-178.6	-154.3	69.6	0	0	0	112.8
366	S	25.9	Very low	24.9	Very low	69 Å²	69	134 Å²	134	48%	0.483	71%	0.708	S	S	.	*	H	α-helix	trans	-70.5	-41.8	-179.2	-160.2	0	0	0	0	112.7	L368 I369 Q370	S366-L368 PolarHBondContact O-N 2.8Å; S366-I369 PolarHBondContact O-N 3.07Å; S366-I369 VanDerWaalsContact O-N 3.13Å; S366-Q370 PolarHBondContact O-N 2.93Å
367	N	27.4	Very low	24.8	Very low	106 Å²	106	129.7 Å²	129.7	57%	0.567	70%	0.699	S	S	*	*	H	α-helix	trans	-65.1	-23.8	-179.9	-74	-58.8	0	0	0	113.9	N363 S371	N363-N367 PolarHBondContact O-ND2 3.03Å; N367-S371 PolarHBondContact O-OG 3.34Å
368	L	25.9	Very low	24.7	Very low	128 Å²	128	129.4 Å²	129.4	67%	0.67	70%	0.696	S	S	*	*	H	α-helix	trans	-81.7	-17.3	177.4	-146.9	78.5	0	0	0	113.2	S366 S371	S366-L368 PolarHBondContact O-N 2.8Å; L368-S371 PolarHBondContact O-OG 3.05Å
369	I	26.6	Very low	24.6	Very low	116 Å²	116	130.8 Å²	130.8	60%	0.595	70%	0.698	S	S	*	*	H	α-helix	trans	-97.4	-35.9	-178.5	-65.1	174	0	0	0	110.9	S366 S371	S366-I369 PolarHBondContact O-N 3.07Å; S366-I369 VanDerWaalsContact O-N 3.13Å; I369-S371 VanDerWaalsContact C-N 3.28Å; I369-S371 PolarHBondContact O-N 2.92Å
370	Q	24.7	Very low	24.5	Very low	142 Å²	142	131 Å²	131	66%	0.664	69%	0.694	S	S	*	*	H	α-helix	trans	-73	-14.1	176.7	-73.5	-173.5	-37.5	0	0	114.7	S366 N372	S366-Q370 PolarHBondContact O-N 2.93Å; Q370-N372 PolarHBondContact O-N 3.1Å
371	S	26.4	Very low	24.4	Very low	78 Å²	78	128.6 Å²	128.6	55%	0.545	70%	0.695	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.7	-1.4	-176.2	36.1	0	0	0	0	115.4	N367 L368 I369	N367-S371 PolarHBondContact O-OG 3.34Å; L368-S371 PolarHBondContact O-OG 3.05Å; I369-S371 VanDerWaalsContact C-N 3.28Å; I369-S371 PolarHBondContact O-N 2.92Å
372	N	24.8	Very low	24.3	Very low	146 Å²	146	130.7 Å²	130.7	78%	0.781	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.6	7.7	178.7	-80.7	-62.2	0	0	0	114.8	Q370	Q370-N372 PolarHBondContact O-N 3.1Å
373	L	22.7	Very low	24.1	Very low	147 Å²	147	133.5 Å²	133.5	77%	0.77	71%	0.709	S	S	*	*	S	Bend	trans	-116.5	17.1	-170.2	-89.7	164.7	0	0	0	115.5
374	S	22.5	Very low	24	Very low	97 Å²	97	136.9 Å²	136.9	68%	0.678	71%	0.714	S	S	*	*			trans	-138.4	49.1	-173.4	70.9	0	0	0	0	115.5
375	L	22.3	Very low	23.8	Very low	177 Å²	177	140.8 Å²	140.8	93%	0.927	73%	0.726	S	S	*	*			trans	-136.8	75.5	161.7	-79.5	-179.8	0	0	0	110.6
376	W	21	Very low	23.5	Very low	238 Å²	238	139.5 Å²	139.5	90%	0.902	73%	0.727	S	S	*	*			trans	-96.9	152.3	164.5	-93.9	37.3	0	0	0	110.6
377	S	21.4	Very low	23.5	Very low	102 Å²	102	141.6 Å²	141.6	71%	0.713	74%	0.74	S	S	*	*			trans	61.3	108.2	162.1	-54.7	0	0	0	0	118.2
378	I	22.4	Very low	23.2	Very low	149 Å²	149	142.5 Å²	142.5	76%	0.764	75%	0.749	S	S	*	*				-171.4	133.2	122.9	-97.1	153.5	0	0	0	110.1
379	H	23.9	Very low	23	Very low	168 Å²	168	141.1 Å²	141.1	78%	0.778	75%	0.75	S	S	*	*			trans	59	123.8	178.1	-58.2	-33.5	0	0	0	117.3
380	S	21.9	Very low	22.8	Very low	97 Å²	97	141.5 Å²	141.5	68%	0.678	76%	0.758	S	S	*	*			cis	89.1	140.4	37.4	-59.1	0	0	0	0	113.9
381	D	21.4	Very low	22.7	Very low	153 Å²	153	142.4 Å²	142.4	82%	0.818	77%	0.766	S	S	*	*			trans	64.7	84	165.3	-53.3	-15.6	0	0	0	118.2
382	L	23.1	Very low	22.6	Very low	179 Å²	179	145.7 Å²	145.7	94%	0.937	78%	0.777	S	S	*	*				-161.5	129.3	99	-102.4	165.7	0	0	0	112.1
383	Q	21.5	Very low	22.5	Very low	156 Å²	156	147.4 Å²	147.4	73%	0.729	78%	0.78	S	S	*	*			trans	-84.2	150.2	171.1	-64.9	168.4	-14.5	0	0	109.9
384	Y	23.5	Very low	22.4	Very low	191 Å²	191	150 Å²	150	75%	0.749	79%	0.791	S	S	*	*				166.4	111.3	115.1	-102.5	-98.9	0	0	0	112.1
385	F	24	Very low	22.5	Very low	191 Å²	191	153.2 Å²	153.2	84%	0.838	79%	0.793	S	S	*	*			trans	73.1	144.2	152.1	-82.6	-109.4	0	0	0	122.7
386	S	21	Very low	22.6	Very low	99 Å²	99	152.6 Å²	152.6	69%	0.692	79%	0.785	S	S	*	*			trans	-113.4	161.9	176.3	52.8	0	0	0	0	110.8
387	P	25	Very low	22.8	Very low	114 Å²	114	144.1 Å²	144.1	74%	0.74	77%	0.772	S	S	*	*			trans	-84.9	162.4	174.9	35.8	-35.9	0	0	0	112.5
388	T	21.2	Very low	23	Very low	125 Å²	125	147.3 Å²	147.3	77%	0.767	78%	0.775	S	S	*	*				-176.3	141.5	114	-67.2	0	0	0	0	111
389	S	22.2	Very low	23.1	Very low	98 Å²	98	148 Å²	148	69%	0.685	78%	0.78	S	S	*	*			trans	43.4	114.5	160.2	69.2	0	0	0	0	121.8
390	T	21.2	Very low	23	Very low	125 Å²	125	145.7 Å²	145.7	77%	0.767	77%	0.774	S	S	*	*				151.4	127.9	100.3	-58.3	0	0	0	0	111.9
391	I	23.5	Very low	23.1	Very low	161 Å²	161	153.5 Å²	153.5	83%	0.826	79%	0.789	S	S	*	*			trans	173.8	137	130.9	-93	166.8	0	0	0	109.3
392	N	23.2	Very low	23.1	Very low	146 Å²	146	150.9 Å²	150.9	78%	0.781	78%	0.778	S	S	*	*			trans	-89.3	169.6	174.3	-82.2	-50.9	0	0	0	111.7
393	Q	23.7	Very low	23.1	Very low	182 Å²	182	150.8 Å²	150.8	85%	0.85	77%	0.773	S	S	*	*			trans	76.2	95.4	165.9	-50.4	-176.1	7.8	0	0	117.3
394	M	20.5	Very low	23.3	Very low	201 Å²	201	151.5 Å²	151.5	99%	0.99	78%	0.776	S	S	*	*				-116.9	100.8	117.8	-81.8	-171.1	170.9	0	0	109.4
395	K	24.1	Very low	23.1	Very low	166 Å²	166	148 Å²	148	72%	0.722	78%	0.775	S	S	*	*			trans	-91.1	170.4	138.8	-66.3	-160.9	-179.6	-176.3	0	106.9
396	E	24.4	Very low	23	Very low	163 Å²	163	144.5 Å²	144.5	76%	0.762	77%	0.769	S	S	*	*			cis	-155	178.4	18.9	-147	141.5	-132.5	0	0	110.3
397	G	25.4	Very low	23.1	Very low	60 Å²	60	147 Å²	147	62%	0.619	78%	0.775	S	S	*	*			trans	125.9	87.7	-172.1	0	0	0	0	0	109.3
398	E	25.2	Very low	22.9	Very low	169 Å²	169	148.2 Å²	148.2	79%	0.79	78%	0.78	S	S	*	*				60.9	124.6	77.7	-56.8	-171.1	148	0	0	110.6
399	D	25	Very low	22.9	Very low	163 Å²	163	149.5 Å²	149.5	87%	0.872	78%	0.782	S	S	*	*			cis	-106.4	163.2	42.2	-66.4	-57.9	0	0	0	118.5
400	N	23	Very low	22.9	Very low	121 Å²	121	149.8 Å²	149.8	65%	0.647	78%	0.78	S	S	*	*			trans	-95.4	145.4	168	-75.5	-63.7	0	0	0	112.2
401	W	23	Very low	22.9	Very low	261 Å²	261	153 Å²	153	99%	0.989	79%	0.786	S	S	*	*			trans	-138.4	131.9	139.2	-82.1	84.3	0	0	0	108.4
402	T	21.2	Very low	22.9	Very low	97 Å²	97	151.8 Å²	151.8	60%	0.595	78%	0.779	S	S	*	*			trans	-126.6	174.4	-173.5	47.1	0	0	0	0	111.3
403	E	24.1	Very low	22.9	Very low	177 Å²	177	152.2 Å²	152.2	83%	0.827	78%	0.782	S	S	*	*			trans	71	142.6	167.8	-76.1	163	-179.8	0	0	115.3
404	E	23.9	Very low	23	Very low	171 Å²	171	149.3 Å²	149.3	80%	0.799	78%	0.782	S	S	*	*			cis	-135.2	142.8	-2.8	-99.6	169.6	144.1	0	0	107.9
405	V	21.1	Very low	23.2	Very low	117 Å²	117	144.5 Å²	144.5	71%	0.709	77%	0.768	S	S	*	*				76.4	116.3	67	-179	0	0	0	0	115.2
406	T	21.9	Very low	23.3	Very low	118 Å²	118	143.5 Å²	143.5	72%	0.724	77%	0.771	S	S	*	*			trans	68.7	131.9	163.6	50.8	0	0	0	0	123
407	N	21.3	Very low	23.5	Very low	151 Å²	151	142.6 Å²	142.6	81%	0.807	77%	0.771	S	S	*	*			trans	29.8	122.6	137.8	-56.6	-13.4	0	0	0	121
408	V	22.6	Very low	23.7	Very low	140 Å²	140	144.3 Å²	144.3	85%	0.848	77%	0.774	S	S	*	*				-138.7	132.1	120.6	161.9	0	0	0	0	108.8
409	N	20.7	Very low	23.7	Very low	152 Å²	152	143.8 Å²	143.8	81%	0.813	78%	0.776	S	S	*	*			trans	-113.1	119.8	161.1	-151.8	3.2	0	0	0	106.5
410	V	22	Very low	23.8	Very low	105 Å²	105	140.2 Å²	140.2	64%	0.636	76%	0.764	S	S	*	*			trans	29.8	108.3	170.1	-169.9	0	0	0	0	117.9	I412	V410-I412 HydrophobicContact CG1-CD1 4.04Å; V410-I412 HydrophobicContact CG1-CG1 3.99Å
411	E	22.1	Very low	23.9	Very low	193 Å²	193	140.7 Å²	140.7	90%	0.902	77%	0.767	S	S	*	*			trans	-117.1	135.6	138.7	-79.4	-158.3	144.3	0	0	110.2
412	I	22.5	Very low	24	Very low	134 Å²	134	134.6 Å²	134.6	69%	0.687	75%	0.753	S	S	*	*			trans	-118.6	133	170.4	-64.8	161.8	0	0	0	105.9	V410	V410-I412 HydrophobicContact CG1-CD1 4.04Å; V410-I412 HydrophobicContact CG1-CG1 3.99Å
413	N	22.8	Very low	24.3	Very low	155 Å²	155	136.8 Å²	136.8	83%	0.829	76%	0.761	S	S	*	*			trans	176.2	123.2	138.8	-95.5	-40.5	0	0	0	113.1
414	S	25.4	Very low	24.2	Very low	121 Å²	121	136.9 Å²	136.9	85%	0.846	76%	0.764	S	S	*	*			trans	-169.9	68.9	136	65.7	0	0	0	0	113.6
415	S	25.9	Very low	24.1	Very low	100 Å²	100	135.1 Å²	135.1	70%	0.699	77%	0.765	S	S	*	*	S	Bend	trans	-167.1	119.9	146.4	57.6	0	0	0	0	112.7
416	D	26.7	Very low	24	Very low	146 Å²	146	132.4 Å²	132.4	78%	0.781	76%	0.76	S	S	*	*			trans	72.2	111.1	150.2	-58	-6.4	0	0	0	122.1
417	N	28.2	Very low	24.1	Very low	143 Å²	143	137.3 Å²	137.3	77%	0.765	77%	0.767	S	S	*	*			trans	82.9	89.2	141.7	-63.2	-33.8	0	0	0	122.1
418	S	28.4	Very low	24.1	Very low	97 Å²	97	134.9 Å²	134.9	68%	0.678	76%	0.762	S	S	*	*				73.2	112.8	120.8	66.9	0	0	0	0	121.9
419	N	26.2	Very low	24.2	Very low	157 Å²	157	133.7 Å²	133.7	84%	0.84	76%	0.76	S	S	*	*				40.3	139.4	122.7	-65	0.9	0	0	0	121.3
420	S	25.9	Very low	24.3	Very low	89 Å²	89	134.5 Å²	134.5	62%	0.622	76%	0.762	S	S	*	*			cis	-176.7	160.7	-6.3	51.1	0	0	0	0	112.3
421	N	26	Very low	24.3	Very low	131 Å²	131	133 Å²	133	70%	0.701	77%	0.767	S	S	*	*			trans	74.1	110.6	148.3	-65.6	-4.1	0	0	0	122.3
422	N	25.6	Very low	24.2	Very low	133 Å²	133	129.4 Å²	129.4	71%	0.711	76%	0.759	S	S	*	*				92.4	130.4	117.9	-64.9	-0.1	0	0	0	123.7
423	N	26.9	Very low	24.2	Very low	142 Å²	142	132 Å²	132	76%	0.759	77%	0.773	S	S	*	*			trans	83.7	87.2	139.7	-65	3.9	0	0	0	122.7
424	M	21.5	Very low	24.1	Very low	179 Å²	179	129.3 Å²	129.3	88%	0.882	76%	0.763	S	S	*	*				58.4	132.9	111.6	-112.4	-162.7	173.1	0	0	123.8
425	V	21.8	Very low	23.9	Very low	135 Å²	135	131 Å²	131	82%	0.818	76%	0.762	S	S	*	*			trans	74.1	117.9	154.2	-175	0	0	0	0	118.9
426	G	20.7	Very low	23.8	Very low	60 Å²	60	136.1 Å²	136.1	62%	0.619	78%	0.775	S	S	*	*			trans	157.7	105.2	154.2	0	0	0	0	0	117.9
427	Y	23.1	Very low	23.5	Very low	221 Å²	221	133.5 Å²	133.5	87%	0.867	77%	0.768	S	S	*	*			trans	59.9	97.4	146.8	-65.3	-77.6	0	0	0	122.9
428	S	20.7	Very low	23.2	Very low	99 Å²	99	132.5 Å²	132.5	69%	0.692	77%	0.767	S	S	*	*				54.1	106.8	121.2	64	0	0	0	0	122.6
429	S	25.9	Very low	22.9	Very low	115 Å²	115	133.8 Å²	133.8	80%	0.804	77%	0.766	S	S	*	*				-153.6	125.9	126.6	-69.1	0	0	0	0	105.6
430	I	21.5	Very low	22.8	Very low	170 Å²	170	134.1 Å²	134.1	87%	0.872	76%	0.76	S	S	*	*				54.7	125.2	67.4	-61.9	179.4	0	0	0	110.5
431	G	21.6	Very low	22.7	Very low	72 Å²	72	134.8 Å²	134.8	74%	0.742	76%	0.762	S	S	*	*			cis	-114.1	178.5	15.6	0	0	0	0	0	117.5
432	T	21.3	Very low	22.7	Very low	118 Å²	118	130.3 Å²	130.3	72%	0.724	74%	0.738	S	S	*	*			trans	-76.5	140.3	178.6	40.1	0	0	0	0	112.6	T434	T432-T434 PolarHBondContact O-N 3.17Å
433	L	21.1	Very low	22.8	Very low	188 Å²	188	129.6 Å²	129.6	98%	0.984	73%	0.733	S	S	*	*			trans	-93.4	85.4	159.1	-87.2	167.9	0	0	0	108.6
434	T	21.4	Very low	22.7	Very low	99 Å²	99	125.8 Å²	125.8	61%	0.607	72%	0.716	S	S	*	*			trans	-135.9	107.5	172.2	48.5	0	0	0	0	107.6	T432	T432-T434 PolarHBondContact O-N 3.17Å
435	D	22.4	Very low	23	Very low	157 Å²	157	119.7 Å²	119.7	84%	0.84	69%	0.691	S	S	*	*			trans	-170.1	112.5	148.3	-97.3	-21.3	0	0	0	109	S437	D435-S437 PolarHBondContact O-N 2.78Å; D435-S437 VanDerWaalsContact O-N 3.15Å
436	E	22	Very low	23.4	Very low	207 Å²	207	114.5 Å²	114.5	97%	0.967	66%	0.66	S	S	*	*			trans	-78.4	96.5	179.2	-64.6	-176.7	132.5	0	0	110
437	S	21.6	Very low	23.6	Very low	92 Å²	92	114.4 Å²	114.4	64%	0.643	64%	0.642	S	S	*	*			trans	-144.6	58.1	175.9	51.7	0	0	0	0	112.5	D435 L439	D435-S437 PolarHBondContact O-N 2.78Å; D435-S437 VanDerWaalsContact O-N 3.15Å; S437-L439 PolarHBondContact O-N 3.46Å
438	V	22.4	Very low	23.9	Very low	122 Å²	122	109.7 Å²	109.7	74%	0.739	63%	0.632	S	S	*	*			trans	-69.5	78.7	165.2	-177.7	0	0	0	0	108.8	F440	V438-F440 WeakPolarHBondContact O-CD2 3.16Å; V438-F440 PolarHBondContact O-N 3.04Å
439	L	22.2	Very low	24.8	Very low	123 Å²	123	110.5 Å²	110.5	64%	0.644	63%	0.629	S	S	*	*			trans	-63.5	97.4	170	-90.4	162.5	0	0	0	108.7	S437	S437-L439 PolarHBondContact O-N 3.46Å
440	F	22.6	Very low	25.9	Very low	165 Å²	165	108.2 Å²	108.2	72%	0.724	61%	0.607	S	S	*	*			trans	-55.3	134.4	170.2	-72.8	-88.9	0	0	0	109.5	V438 L442	V438-F440 WeakPolarHBondContact O-CD2 3.16Å; V438-F440 PolarHBondContact O-N 3.04Å; F440-L442 PolarHBondContact O-N 3.28Å
441	P	23.7	Very low	27.6	Very low	102 Å²	102	102.2 Å²	102.2	66%	0.662	58%	0.577	S	S	*	*			trans	-58.3	136.8	167.7	26.7	-33.6	0	0	0	108.5	I443	P441-I443 PolarHBondContact O-N 2.98Å
442	L	27.3	Very low	29.9	Very low	37 Å²	37	101 Å²	101	19%	0.194	55%	0.551	C	S	.	*			trans	-68.6	80.8	180	-80.1	173.5	0	0	0	111	F440 L451 N576 N603 Q605	F440-L442 PolarHBondContact O-N 3.28Å; L442-L451 HydrophobicContact CD2-CD1 4.13Å; L442-N576 HydrophobicContact CD1-CB 3.84Å; L442-N603 WeakPolarHBondContact CD1-ND2 3.27Å; L442-Q605 PolarHBondContact O-NE2 2.9Å
443	I	27.2	Very low	32.6	Very low	119 Å²	119	95.9 Å²	95.9	61%	0.61	52%	0.518	S	S	*	.			trans	-57	132.6	167.4	-62.4	168.2	0	0	0	107.4	P441 S445	P441-I443 PolarHBondContact O-N 2.98Å; I443-S445 PolarHBondContact O-N 3.41Å; I443-S445 PolarHBondContact O-OG 2.89Å
444	P	24.8	Very low	35.4	Very low	61 Å²	61	87.3 Å²	87.3	40%	0.396	47%	0.474	S	S	.	.			trans	-69	76.2	174.1	30	-36.1	0	0	0	110.4	T300 T446	T300-P444 VanDerWaalsContact OG1-CB 3.28Å; T300-P444 WeakPolarHBondContact OG1-CB 3.12Å; T300-P444 WeakPolarHBondContact OG1-CG 3.4Å; P444-T446 PolarHBondContact O-N 2.91Å; P444-T446 PolarHBondContact O-OG1 3.34Å; P444-T446 VanDerWaalsContact O-OG1 3.06Å
445	S	28.8	Very low	38.4	Very low	52 Å²	52	84.1 Å²	84.1	36%	0.364	45%	0.451	S	S	.	.			trans	-79.6	53.6	-171.2	50.2	0	0	0	0	112.9	I443 K447	I443-S445 PolarHBondContact O-N 3.41Å; I443-S445 PolarHBondContact O-OG 2.89Å; S445-K447 PolarHBondContact O-N 3.31Å
446	T	28.3	Very low	41.2	Very low	26 Å²	26	79.1 Å²	79.1	16%	0.16	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	60.5	174.8	33.6	0	0	0	0	112.4	T301 T304 H308 P444	T301-T446 HydrophobicContact CG2-CG2 3.4Å; T304-T446 WeakPolarHBondContact CB-OG1 3.43Å; T304-T446 WeakPolarHBondContact CG2-OG1 3.37Å; T304-T446 VanDerWaalsContact OG1-CB 3.29Å; T304-T446 WeakPolarHBondContact OG1-CB 3.5Å; T304-T446 PolarHBondContact OG1-OG1 2.77Å; H308-T446 PolarHBondContact CD2-O 2.95Å; P444-T446 PolarHBondContact O-N 2.91Å; P444-T446 PolarHBondContact O-OG1 3.34Å; P444-T446 VanDerWaalsContact O-OG1 3.06Å
447	K	26.2	Very low	43.9	Very low	57 Å²	57	72.3 Å²	72.3	25%	0.248	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-140.6	-2.7	165.3	-126.4	-174	-172.3	172.3	0	114.5	I44 H308 S445	I44-K447 HydrophobicContact CD1-CB 4.28Å; I44-K447 HydrophobicContact CD1-CD 3.63Å; I44-K447 HydrophobicContact CD1-CG 3.94Å; I44-K447 HydrophobicContact CG1-CD 4.18Å; H308-K447 VanDerWaalsContact NE2-CG 3.25Å; H308-K447 WeakPolarHBondContact NE2-CG 3.35Å; S445-K447 PolarHBondContact O-N 3.31Å
448	N	30	Very low	46.5	Very low	123 Å²	123	73.3 Å²	73.3	66%	0.658	39%	0.391	S	S	*	.	S	Bend	trans	-153.1	148.8	165.1	-81.3	-36.6	0	0	0	107.5	L450	N448-L450 HydrophobicContact CB-CD1 4.4Å; N448-L450 HydrophobicContact CB-CG 4.04Å; N448-L450 PolarHBondContact O-N 3.37Å
449	N	38.4	Very low	49	Very low	116 Å²	116	69.7 Å²	69.7	62%	0.62	38%	0.378	S	S	*	.			trans	-73.9	72.5	176	-79.9	22.8	0	0	0	111.1	D513	N449-D513 PolarHBondContact ND2-OD1 2.74Å
450	L	48.1	Very low	51.4	Low	66 Å²	66	70.4 Å²	70.4	35%	0.346	38%	0.382	S	S	.	.			trans	-83.8	-28.2	-177.2	-73.3	170.2	0	0	0	113.5	N448 L469 S470	N448-L450 HydrophobicContact CB-CD1 4.4Å; N448-L450 HydrophobicContact CB-CG 4.04Å; N448-L450 PolarHBondContact O-N 3.37Å; L450-L469 HydrophobicContact CB-CD2 4.19Å; L450-L469 CarbonylContact O-C 3.47Å; L450-L469 VanDerWaalsContact O-CA 3.29Å; L450-L469 WeakPolarHBondContact O-CA 3.41Å; L450-S470 PolarHBondContact O-N 3.22Å
451	L	57.3	Low	54.3	Low	45 Å²	45	66 Å²	66	24%	0.236	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	128.6	168.8	-95.2	78.9	0	0	0	110.5	L442 F453 I468 L469	L442-L451 HydrophobicContact CD2-CD1 4.13Å; L451-F453 HydrophobicContact CD2-CZ 4.38Å; L451-I468 WeakPolarHBondContact CA-O 3.1Å; L451-L469 HydrophobicContact CD1-CD2 3.69Å; L451-L469 HydrophobicContact CD1-CG 4.48Å
452	K	71.1	Confident	57.2	Low	47 Å²	47	62.5 Å²	62.5	20%	0.204	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133	161.8	-71.6	-68.7	-161.8	175	0	108.2	I468 K511 F512 D513	K452-I468 PolarHBondContact N-O 2.74Å; K452-I468 PolarHBondContact O-N 3.31Å; K452-K511 HydrophobicContact CB-CB 3.9Å; K452-K511 HydrophobicContact CB-CD 4.22Å; K452-K511 HydrophobicContact CB-CG 3.97Å; K452-K511 HydrophobicContact CD-CB 4.21Å; K452-K511 HydrophobicContact CG-CB 4.15Å; K452-K511 HydrophobicContact CG-CD 4.43Å; K452-F512 CarbonylContact C-O 3.49Å; K452-F512 WeakPolarHBondContact CA-O 3.23Å; K452-D513 IonicContact NZ-OD1 2.95Å; K452-D513 PolarHBondContact NZ-OD1 3.37Å; K452-D513 IonicContact NZ-OD2 3.32Å; K452-D513 PolarHBondContact NZ-OD2 2.58Å
453	F	78	Confident	60	Low	9 Å²	9	60.7 Å²	60.7	4%	0.039	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	138.3	177.1	-59.6	-88.3	0	0	0	110.2	L451 E466 K511 F512 C514 F515 L518 V577 E581	L451-F453 HydrophobicContact CD2-CZ 4.38Å; F453-E466 WeakPolarHBondContact CA-O 3.39Å; F453-K511 WeakPolarHBondContact O-CA 3.42Å; F453-F512 HydrophobicContact CB-CB 4.48Å; F453-F512 PolarHBondContact N-O 2.95Å; F453-F512 PolarHBondContact O-N 3.16Å; F453-C514 VanDerWaalsContact CD2-C 3.47Å; F453-F515 HydrophobicContact CD1-CB 4.08Å; F453-F515 HydrophobicContact CD1-CD2 4.05Å; F453-F515 HydrophobicContact CE1-CB 4.02Å; F453-F515 HydrophobicContact CE1-CD2 4.47Å; F453-F515 HydrophobicContact CG-CB 4.34Å; F453-F515 HydrophobicContact CZ-CB 4.22Å; F453-L518 HydrophobicContact CB-CD1 3.88Å; F453-V577 HydrophobicContact CD1-CG2 4.1Å; F453-V577 HydrophobicContact CE1-CB 4.42Å; F453-V577 HydrophobicContact CE1-CG1 4.19Å; F453-V577 HydrophobicContact CE1-CG2 4.05Å; F453-E581 WeakPolarHBondContact CZ-OE2 3.28Å
454	T	79.8	Confident	62.9	Low	8 Å²	8	55 Å²	55	5%	0.049	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	161.9	170.5	-168.7	0	0	0	0	110.3	E466 I468 A509 L518	T454-E466 PolarHBondContact N-O 2.77Å; T454-E466 PolarHBondContact O-N 3.29Å; T454-I468 HydrophobicContact CG2-CD1 3.45Å; T454-I468 VanDerWaalsContact CG2-CD1 3.45Å; T454-I468 HydrophobicContact CG2-CG1 4.16Å; T454-A509 WeakPolarHBondContact OG1-CB 3.46Å; T454-L518 WeakPolarHBondContact O-CD1 3.48Å
455	Y	84.9	Confident	65.9	Low	33 Å²	33	52.1 Å²	52.1	13%	0.129	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	160.1	164.3	65.3	-85.5	0	0	0	110	V464 I510 F512 L522 L561	Y455-V464 CarbonylContact C-O 3.26Å; Y455-V464 VanDerWaalsContact CA-O 3.24Å; Y455-V464 WeakPolarHBondContact CA-O 3.4Å; Y455-I510 HydrophobicContact CE1-CB 4.42Å; Y455-F512 HydrophobicContact CD1-CE2 4.29Å; Y455-F512 HydrophobicContact CE1-CE2 4.27Å; Y455-L522 HydrophobicContact CD1-CD2 3.98Å; Y455-L522 HydrophobicContact CD2-CD2 4.34Å; Y455-L522 HydrophobicContact CE1-CD2 4.26Å; Y455-L522 HydrophobicContact CG-CD2 4.05Å; Y455-L561 HydrophobicContact CE2-CD2 3.92Å; Y455-L561 WeakPolarHBondContact OH-CD1 3.34Å; Y455-L561 WeakPolarHBondContact OH-CD2 3.32Å
456	S	80.5	Confident	68.5	Low	52 Å²	52	51.6 Å²	51.6	36%	0.364	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	158.9	165.7	63.4	0	0	0	0	110.5	V464	S456-V464 PolarHBondContact N-O 2.76Å; S456-V464 PolarHBondContact O-N 2.89Å
457	L	78.3	Confident	70.9	Confident	64 Å²	64	50.5 Å²	50.5	34%	0.335	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.9	175.4	-76.5	-177.3	0	0	0	110.9	G459 H462 L463 L564	L457-G459 VanDerWaalsContact C-N 3.35Å; L457-G459 PolarHBondContact O-N 2.86Å; L457-H462 WeakPolarHBondContact CA-O 3.44Å; L457-H462 WeakPolarHBondContact CD2-O 3.31Å; L457-L463 HydrophobicContact CD2-CB 4.38Å; L457-L463 HydrophobicContact CD2-CD1 4.03Å; L457-L564 HydrophobicContact CD1-CD1 3.75Å; L457-L564 HydrophobicContact CD1-CD2 4.13Å; L457-L564 HydrophobicContact CD1-CG 3.91Å; L457-L564 HydrophobicContact CG-CD2 4.49Å
458	K	76.9	Confident	72.9	Confident	113 Å²	113	51 Å²	51	49%	0.491	28%	0.276	S	S	.	.	S	Bend	trans	-98.1	63.9	168.9	-72.6	178.6	178.6	161	0	109.7	H462 V464	K458-H462 HydrophobicContact CB-CB 4.08Å; K458-H462 PolarHBondContact N-O 2.99Å; K458-V464 HydrophobicContact CD-CG2 3.66Å; K458-V464 HydrophobicContact CG-CG2 3.9Å
459	G	74.9	Confident	74	Confident	45 Å²	45	49.5 Å²	49.5	46%	0.464	27%	0.268	S	S	.	.	S	Bend	trans	83.5	-174.7	-168.4	0	0	0	0	0	112.8	L457 T461	L457-G459 VanDerWaalsContact C-N 3.35Å; L457-G459 PolarHBondContact O-N 2.86Å; G459-T461 VanDerWaalsContact C-N 3.28Å; G459-T461 PolarHBondContact O-N 3.14Å
460	L	73.1	Confident	74.2	Confident	138 Å²	138	46.1 Å²	46.1	72%	0.723	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-8.3	-165.1	-61.8	176.6	0	0	0	115.8
461	T	81.6	Confident	73.2	Confident	74 Å²	74	48.8 Å²	48.8	45%	0.454	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.3	0.9	-171	60.7	0	0	0	0	114.2	G459 R568 V570 K571	G459-T461 VanDerWaalsContact C-N 3.28Å; G459-T461 PolarHBondContact O-N 3.14Å; T461-R568 WeakPolarHBondContact CA-O 3.13Å; T461-R568 WeakPolarHBondContact CB-O 3.49Å; T461-R568 WeakPolarHBondContact CG2-O 3.16Å; T461-V570 PolarHBondContact O-N 2.93Å; T461-K571 PolarHBondContact O-N 2.83Å
462	H	85.4	Confident	71.8	Confident	27 Å²	27	52.3 Å²	52.3	13%	0.125	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	114.4	-174.4	-177	136.4	0	0	0	110.4	L457 K458 V464 K571 T573	L457-H462 WeakPolarHBondContact CA-O 3.44Å; L457-H462 WeakPolarHBondContact CD2-O 3.31Å; K458-H462 HydrophobicContact CB-CB 4.08Å; K458-H462 PolarHBondContact N-O 2.99Å; H462-V464 WeakPolarHBondContact NE2-CG2 3.44Å; H462-K571 WeakPolarHBondContact CA-O 3.4Å; H462-K571 HydrophobicContact CB-CB 4.31Å; H462-K571 WeakPolarHBondContact ND1-CD 3.44Å; H462-T573 PolarHBondContact NE2-OG1 3.17Å
463	L	87.2	Confident	69.7	Low	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	129.2	174.7	-178.2	61.7	0	0	0	110.3	L457 L465 L522 I569 K571 L572 T573 L593	L457-L463 HydrophobicContact CD2-CB 4.38Å; L457-L463 HydrophobicContact CD2-CD1 4.03Å; L463-L465 HydrophobicContact CD1-CD2 3.87Å; L463-L465 HydrophobicContact CD2-CD2 3.94Å; L463-L465 HydrophobicContact CD2-CG 4.44Å; L463-L465 HydrophobicContact CG-CD2 3.71Å; L463-L465 HydrophobicContact CG-CG 4.27Å; L463-L522 HydrophobicContact CD2-CD1 4.19Å; L463-I569 HydrophobicContact CB-CD1 4.12Å; L463-I569 HydrophobicContact CB-CG2 3.91Å; L463-I569 HydrophobicContact CD2-CD1 4.17Å; L463-K571 PolarHBondContact N-O 3.22Å; L463-L572 HydrophobicContact CB-CD1 4.04Å; L463-L572 HydrophobicContact CD2-CD1 3.99Å; L463-L572 HydrophobicContact CG-CD1 4.02Å; L463-L572 CarbonylContact O-C 3.59Å; L463-L572 WeakPolarHBondContact O-CA 3.03Å; L463-T573 PolarHBondContact O-N 2.82Å; L463-L593 HydrophobicContact CD2-CD1 4.4Å; L463-L593 HydrophobicContact CD2-CD2 4.27Å
464	V	86.2	Confident	67	Low	0 Å²	0	65.9 Å²	65.9	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	124.8	170.7	-173.2	0	0	0	0	108.1	Y455 S456 K458 H462 E466 T573	Y455-V464 CarbonylContact C-O 3.26Å; Y455-V464 VanDerWaalsContact CA-O 3.24Å; Y455-V464 WeakPolarHBondContact CA-O 3.4Å; S456-V464 PolarHBondContact N-O 2.76Å; S456-V464 PolarHBondContact O-N 2.89Å; K458-V464 HydrophobicContact CD-CG2 3.66Å; K458-V464 HydrophobicContact CG-CG2 3.9Å; H462-V464 WeakPolarHBondContact NE2-CG2 3.44Å; V464-E466 HydrophobicContact CG1-CB 4.32Å; V464-T573 CarbonylContact C-O 3.59Å; V464-T573 WeakPolarHBondContact CA-O 3.32Å; V464-T573 HydrophobicContact CG1-CG2 4.08Å
465	L	88.7	Confident	64.3	Low	0 Å²	0	72.6 Å²	72.6	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122	169.6	-49.9	-172.9	0	0	0	108.2	L463 F515 L518 L522 L572 T573 I574 R575 L589	L463-L465 HydrophobicContact CD1-CD2 3.87Å; L463-L465 HydrophobicContact CD2-CD2 3.94Å; L463-L465 HydrophobicContact CD2-CG 4.44Å; L463-L465 HydrophobicContact CG-CD2 3.71Å; L463-L465 HydrophobicContact CG-CG 4.27Å; L465-F515 HydrophobicContact CB-CE2 3.88Å; L465-F515 HydrophobicContact CD1-CE2 3.81Å; L465-F515 HydrophobicContact CD1-CZ 3.8Å; L465-L518 HydrophobicContact CD1-CD2 4.14Å; L465-L518 HydrophobicContact CD2-CD2 3.83Å; L465-L518 HydrophobicContact CG-CD2 4.48Å; L465-L522 HydrophobicContact CD2-CD1 3.98Å; L465-L572 HydrophobicContact CD1-CD1 4.25Å; L465-L572 HydrophobicContact CG-CD1 4.12Å; L465-T573 PolarHBondContact N-O 3.45Å; L465-I574 HydrophobicContact CB-CD1 3.9Å; L465-I574 HydrophobicContact CD1-CD1 3.75Å; L465-I574 HydrophobicContact CG-CD1 3.95Å; L465-R575 PolarHBondContact O-N 3.2Å; L465-L589 HydrophobicContact CD1-CD2 4.08Å
466	E	83.8	Confident	61.5	Low	41 Å²	41	77.5 Å²	77.5	19%	0.192	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	129.3	-164.9	-172.6	157.2	178.3	0	0	113	F453 T454 V464 I468 R575	F453-E466 WeakPolarHBondContact CA-O 3.39Å; T454-E466 PolarHBondContact N-O 2.77Å; T454-E466 PolarHBondContact O-N 3.29Å; V464-E466 HydrophobicContact CG1-CB 4.32Å; E466-I468 HydrophobicContact CG-CG1 4.05Å; E466-R575 WeakPolarHBondContact CA-O 3.31Å; E466-R575 HydrophobicContact CB-CB 4.42Å; E466-R575 HydrophobicContact CG-CB 4.11Å; E466-R575 HydrophobicContact CG-CG 4.41Å; E466-R575 VanDerWaalsContact OE1-CD 3.3Å; E466-R575 WeakPolarHBondContact OE1-CD 3.04Å; E466-R575 IonicContact OE1-CZ 2.66Å; E466-R575 IonicContact OE1-NE 2.71Å; E466-R575 IonicContact OE1-NH1 2.87Å; E466-R575 PolarHBondContact OE1-NH1 3.1Å; E466-R575 IonicContact OE2-CZ 2.82Å; E466-R575 IonicContact OE2-NH1 3.88Å; E466-R575 PolarHBondContact OE2-NH1 2.88Å
467	G	77.5	Confident	58.9	Low	3 Å²	3	82.3 Å²	82.3	3%	0.031	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	119	165.6	0	0	0	0	0	111.1	R575 N576	G467-R575 PolarHBondContact N-O 2.92Å; G467-N576 WeakPolarHBondContact O-CB 3.43Å; G467-N576 PolarHBondContact O-ND2 3.24Å
468	I	70	Confident	56.4	Low	67 Å²	67	86.4 Å²	86.4	34%	0.344	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	140	-178.7	-60.3	-176.5	0	0	0	110	L451 K452 T454 E466	L451-I468 WeakPolarHBondContact CA-O 3.1Å; K452-I468 PolarHBondContact N-O 2.74Å; K452-I468 PolarHBondContact O-N 3.31Å; T454-I468 HydrophobicContact CG2-CD1 3.45Å; T454-I468 VanDerWaalsContact CG2-CD1 3.45Å; T454-I468 HydrophobicContact CG2-CG1 4.16Å; E466-I468 HydrophobicContact CG-CG1 4.05Å
469	L	52.2	Low	53.9	Low	91 Å²	91	88.5 Å²	88.5	48%	0.476	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	129.7	173.7	-74.3	165.5	0	0	0	111.6	L450 L451 T471	L450-L469 HydrophobicContact CB-CD2 4.19Å; L450-L469 CarbonylContact O-C 3.47Å; L450-L469 VanDerWaalsContact O-CA 3.29Å; L450-L469 WeakPolarHBondContact O-CA 3.41Å; L451-L469 HydrophobicContact CD1-CD2 3.69Å; L451-L469 HydrophobicContact CD1-CG 4.48Å; L469-T471 PolarHBondContact O-N 3.39Å
470	S	42.9	Very low	51.5	Low	45 Å²	45	92.9 Å²	92.9	32%	0.315	51%	0.508	S	S	.	.			trans	-87.6	97.4	-177.9	-174.6	0	0	0	0	111.6	L450	L450-S470 PolarHBondContact O-N 3.22Å
471	T	27.9	Very low	49.3	Very low	122 Å²	122	93.1 Å²	93.1	75%	0.748	51%	0.51	S	S	*	.			trans	-109.4	86.2	-176.2	54.2	0	0	0	0	113.4	L469	L469-T471 PolarHBondContact O-N 3.39Å
472	T	27.7	Very low	46.6	Very low	119 Å²	119	96.9 Å²	96.9	73%	0.73	53%	0.527	S	S	*	.			trans	-145.8	95.1	161.5	28.9	0	0	0	0	106.5
473	V	25.3	Very low	43.7	Very low	130 Å²	130	105.7 Å²	105.7	79%	0.788	56%	0.561	S	S	*	*				63.7	104.5	93.4	178.7	0	0	0	0	112.7	N475	V473-N475 HydrophobicContact CG1-CB 4.45Å
474	F	21.7	Very low	40.7	Very low	211 Å²	211	112.1 Å²	112.1	93%	0.925	60%	0.595	S	S	*	*			trans	-92.2	133.6	148.5	-85.8	-91	0	0	0	107.5
475	N	23	Very low	37.7	Very low	150 Å²	150	118.1 Å²	118.1	80%	0.802	63%	0.631	S	S	*	*			trans	-169.2	155.9	159.8	-120	3.6	0	0	0	110.2	V473	V473-N475 HydrophobicContact CG1-CB 4.45Å
476	V	27	Very low	34.6	Very low	135 Å²	135	126.4 Å²	126.4	82%	0.818	67%	0.67	S	S	*	*			trans	75.3	137.8	-174.4	-167.4	0	0	0	0	113.4
477	D	25.1	Very low	31.8	Very low	154 Å²	154	134 Å²	134	82%	0.824	70%	0.702	S	S	*	*			trans	-105.7	-160.9	-155.2	-50.3	-93.9	0	0	0	113.2
478	D	25.6	Very low	29.2	Very low	149 Å²	149	142.5 Å²	142.5	80%	0.797	75%	0.746	S	S	*	*			trans	-72.8	175.2	-163.8	-63.9	-67.9	0	0	0	117.5
479	D	24.7	Very low	26.8	Very low	157 Å²	157	144.1 Å²	144.1	84%	0.84	76%	0.763	S	S	*	*			trans	96	135.1	156.5	-66.1	-30.6	0	0	0	122.4
480	D	26	Very low	25.5	Very low	137 Å²	137	146.2 Å²	146.2	73%	0.733	78%	0.775	S	S	*	*			trans	59.4	103.8	162.5	-85.7	-39.4	0	0	0	123.8
481	N	25.6	Very low	24.6	Very low	143 Å²	143	151.5 Å²	151.5	77%	0.765	81%	0.805	S	S	*	*				46.7	105.8	127.2	-72.2	-62.5	0	0	0	121.7
482	D	24.5	Very low	24.4	Very low	154 Å²	154	151.8 Å²	151.8	82%	0.824	80%	0.801	S	S	*	*				44.8	84	127.5	-146.7	17.8	0	0	0	119
483	Y	24.5	Very low	24.2	Very low	212 Å²	212	154 Å²	154	83%	0.831	80%	0.803	S	S	*	*			trans	-160.3	149.6	148.6	-118.3	-74.4	0	0	0	113.9
484	N	25	Very low	24.1	Very low	135 Å²	135	154.7 Å²	154.7	72%	0.722	80%	0.802	S	S	*	*			trans	74.5	87.9	165.7	-57.7	-53.5	0	0	0	119.3
485	V	24.1	Very low	24.3	Very low	125 Å²	125	152.1 Å²	152.1	76%	0.758	80%	0.798	S	S	*	*			trans	-51.2	153	130.9	177.1	0	0	0	0	109.9
486	H	23.8	Very low	24.2	Very low	174 Å²	174	150.1 Å²	150.1	81%	0.806	80%	0.796	S	S	*	*			trans	80.1	81.1	-177.6	-56.5	-76.6	0	0	0	117.8
487	K	23.7	Very low	24	Very low	200 Å²	200	152.8 Å²	152.8	87%	0.87	80%	0.796	S	S	*	*			trans	-169.9	94.8	130.7	-112.9	175.2	-178.8	178.3	0	113.6
488	L	23.3	Very low	24	Very low	182 Å²	182	155.6 Å²	155.6	95%	0.953	80%	0.801	S	S	*	*			trans	-164.7	56.7	148.6	-113.9	161.6	0	0	0	111.8
489	S	19.9	Very low	23.8	Very low	101 Å²	101	156 Å²	156	71%	0.706	80%	0.799	S	S	*	*			trans	-129.9	147.7	166.3	56.2	0	0	0	0	108.5
490	N	23.6	Very low	23.7	Very low	136 Å²	136	157 Å²	157	73%	0.727	80%	0.795	S	S	*	*			trans	72.9	77.4	-176.4	-53.4	-12	0	0	0	116.3
491	V	25.2	Very low	23.6	Very low	155 Å²	155	159.1 Å²	159.1	94%	0.939	80%	0.801	S	S	*	*				-123.6	110.8	122.2	179.9	0	0	0	0	106.6
492	I	22.4	Very low	23.4	Very low	129 Å²	129	157.9 Å²	157.9	66%	0.662	80%	0.799	S	S	*	*			trans	-130.2	147.1	-179.2	-75.6	178.1	0	0	0	108
493	E	23.5	Very low	23.4	Very low	166 Å²	166	157.8 Å²	157.8	78%	0.776	80%	0.798	S	S	*	*			trans	75.5	138	167.5	-82	166.1	-161.9	0	0	120.7
494	N	25	Very low	23.4	Very low	144 Å²	144	156.9 Å²	156.9	77%	0.77	80%	0.802	S	S	*	*			trans	76.9	127.9	174.6	-43.4	-72	0	0	0	115.4
495	D	24.4	Very low	23.5	Very low	157 Å²	157	155.1 Å²	155.1	84%	0.84	80%	0.8	S	S	*	*			cis	-117.4	139.1	12.9	-109	-43.3	0	0	0	114
496	S	21.8	Very low	23.9	Very low	107 Å²	107	154.8 Å²	154.8	75%	0.748	80%	0.798	S	S	*	*			trans	-101.6	98.4	173.8	60.7	0	0	0	0	111.5
497	K	23.4	Very low	24.2	Very low	191 Å²	191	155.4 Å²	155.4	83%	0.83	80%	0.801	S	S	*	*			trans	-168.9	80.3	169.5	-110.3	157.5	-166.1	163.1	0	114.2
498	F	24.4	Very low	24.9	Very low	213 Å²	213	151.2 Å²	151.2	93%	0.934	79%	0.789	S	S	*	*			trans	-171.7	93.5	140.9	-107.6	-67.6	0	0	0	110.3
499	E	21.5	Very low	26.4	Very low	159 Å²	159	145.1 Å²	145.1	74%	0.743	77%	0.765	S	S	*	*			trans	-70.7	153.5	162.9	-69.4	-169.6	136.1	0	0	110.6
500	K	22.7	Very low	28.2	Very low	177 Å²	177	143.4 Å²	143.4	77%	0.77	75%	0.747	S	S	*	*			trans	75	87.7	167.4	-55.3	155.1	-170	163.1	0	116
501	Q	22.9	Very low	30.6	Very low	181 Å²	181	142.3 Å²	142.3	85%	0.846	74%	0.736	S	S	*	*				-166.7	122.4	105.9	-102	165.1	26	0	0	112.2
502	T	22.3	Very low	32.8	Very low	118 Å²	118	136.1 Å²	136.1	72%	0.724	70%	0.696	S	S	*	*			trans	38.7	128.9	152.1	54.4	0	0	0	0	121.4
503	N	24.1	Very low	34.9	Very low	151 Å²	151	133.9 Å²	133.9	81%	0.807	69%	0.686	S	S	*	*			trans	86.5	73.4	158.7	-48.4	-25.5	0	0	0	117.7
504	E	24.6	Very low	37.4	Very low	193 Å²	193	128 Å²	128	90%	0.902	66%	0.662	S	S	*	*			trans	-89.7	90.9	147.8	-72.2	179.3	161.2	0	0	108.9	T506	E504-T506 PolarHBondContact O-N 3.27Å
505	S	27.8	Very low	39.9	Very low	98 Å²	98	121.1 Å²	121.1	69%	0.685	63%	0.626	S	S	*	*			trans	-78.3	106	165.9	51.5	0	0	0	0	108.5	E507	S505-E507 PolarHBondContact O-N 2.65Å
506	T	30.8	Very low	42.7	Very low	118 Å²	118	115.6 Å²	115.6	72%	0.724	60%	0.599	S	S	*	*			trans	-57.1	110.1	-171.4	43.2	0	0	0	0	112.8	E504 N508	E504-T506 PolarHBondContact O-N 3.27Å; T506-N508 PolarHBondContact O-N 3.47Å; T506-N508 VanDerWaalsContact O-N 3.14Å
507	E	30.9	Very low	45.5	Very low	187 Å²	187	113.1 Å²	113.1	87%	0.874	58%	0.582	S	S	*	*			trans	-72.4	103.9	-179.8	-63.6	-174.2	111.4	0	0	110.8	S505	S505-E507 PolarHBondContact O-N 2.65Å
508	N	39.1	Very low	48.4	Very low	112 Å²	112	104 Å²	104	60%	0.599	54%	0.542	S	S	*	.			trans	-152.4	60.9	163.1	-101.2	-49.3	0	0	0	109.1	T506 I510	T506-N508 PolarHBondContact O-N 3.47Å; T506-N508 VanDerWaalsContact O-N 3.14Å; N508-I510 PolarHBondContact O-N 2.91Å
509	A	53.3	Low	51.3	Low	55 Å²	55	93.9 Å²	93.9	46%	0.455	50%	0.498	S	S	.	.			trans	-70.8	96.3	-175.2	0	0	0	0	0	111.6	T454 K511	T454-A509 WeakPolarHBondContact OG1-CB 3.46Å; A509-K511 PolarHBondContact O-N 3.32Å; A509-K511 VanDerWaalsContact O-N 3.14Å
510	I	59.5	Low	54.3	Low	64 Å²	64	89.6 Å²	89.6	33%	0.328	48%	0.48	S	S	.	.			trans	-65.3	112.6	171.3	-52.9	178.7	0	0	0	108.2	Y455 N508 F512 L561	Y455-I510 HydrophobicContact CE1-CB 4.42Å; N508-I510 PolarHBondContact O-N 2.91Å; I510-F512 HydrophobicContact CB-CE2 3.9Å; I510-F512 HydrophobicContact CB-CZ 4.01Å; I510-F512 HydrophobicContact CG2-CD2 4.44Å; I510-F512 HydrophobicContact CG2-CE1 3.99Å; I510-F512 HydrophobicContact CG2-CE2 3.67Å; I510-F512 HydrophobicContact CG2-CZ 3.39Å; I510-F512 VanDerWaalsContact O-CD2 3.25Å; I510-F512 WeakPolarHBondContact O-CD2 3.18Å; I510-F512 WeakPolarHBondContact O-CE2 3.45Å; I510-L561 HydrophobicContact CD1-CD1 4.44Å
511	K	73.5	Confident	57.1	Low	113 Å²	113	83.2 Å²	83.2	49%	0.491	45%	0.453	S	S	.	.			trans	-97.3	106.5	-172.1	-81.7	174.9	-174.5	176.2	0	111.9	K452 F453 A509	K452-K511 HydrophobicContact CB-CB 3.9Å; K452-K511 HydrophobicContact CB-CD 4.22Å; K452-K511 HydrophobicContact CB-CG 3.97Å; K452-K511 HydrophobicContact CD-CB 4.21Å; K452-K511 HydrophobicContact CG-CB 4.15Å; K452-K511 HydrophobicContact CG-CD 4.43Å; F453-K511 WeakPolarHBondContact O-CA 3.42Å; A509-K511 PolarHBondContact O-N 3.32Å; A509-K511 VanDerWaalsContact O-N 3.14Å
512	F	70.5	Confident	60	Low	26 Å²	26	74.6 Å²	74.6	11%	0.114	41%	0.412	C	S	.	.	B	Isolated β-bridge	trans	-91.7	145.4	179.3	-55.5	-89.7	0	0	0	111.8	K452 F453 Y455 I510 L518 H521	K452-F512 CarbonylContact C-O 3.49Å; K452-F512 WeakPolarHBondContact CA-O 3.23Å; F453-F512 HydrophobicContact CB-CB 4.48Å; F453-F512 PolarHBondContact N-O 2.95Å; F453-F512 PolarHBondContact O-N 3.16Å; Y455-F512 HydrophobicContact CD1-CE2 4.29Å; Y455-F512 HydrophobicContact CE1-CE2 4.27Å; I510-F512 HydrophobicContact CB-CE2 3.9Å; I510-F512 HydrophobicContact CB-CZ 4.01Å; I510-F512 HydrophobicContact CG2-CD2 4.44Å; I510-F512 HydrophobicContact CG2-CE1 3.99Å; I510-F512 HydrophobicContact CG2-CE2 3.67Å; I510-F512 HydrophobicContact CG2-CZ 3.39Å; I510-F512 VanDerWaalsContact O-CD2 3.25Å; I510-F512 WeakPolarHBondContact O-CD2 3.18Å; I510-F512 WeakPolarHBondContact O-CE2 3.45Å; F512-L518 HydrophobicContact CB-CB 4.13Å; F512-L518 HydrophobicContact CD2-CB 3.59Å; F512-L518 HydrophobicContact CD2-CD1 3.93Å; F512-L518 HydrophobicContact CD2-CG 3.74Å; F512-L518 HydrophobicContact CE2-CB 4.14Å; F512-L518 HydrophobicContact CE2-CD1 4.38Å; F512-L518 HydrophobicContact CE2-CG 3.95Å; F512-L518 HydrophobicContact CG-CB 3.81Å; F512-L518 HydrophobicContact CG-CG 4.46Å; F512-H521 HydrophobicContact CE1-CB 3.53Å; F512-H521 AromaticContact CE1-CG 3.72Å; F512-H521 HydrophobicContact CZ-CB 3.61Å; F512-H521 AromaticContact CZ-CD2 3.57Å; F512-H521 AromaticContact CZ-CG 3.44Å; F512-H521 VanDerWaalsContact CZ-CG 3.44Å; F512-H521 AromaticContact CZ-ND1 3.96Å
513	D	66.4	Low	62.8	Low	82 Å²	82	70.9 Å²	70.9	44%	0.439	39%	0.387	S	S	.	.	S	Bend	trans	-78.5	-15.4	178.4	-72	-86.2	0	0	0	114.5	N449 K452	N449-D513 PolarHBondContact ND2-OD1 2.74Å; K452-D513 IonicContact NZ-OD1 2.95Å; K452-D513 PolarHBondContact NZ-OD1 3.37Å; K452-D513 IonicContact NZ-OD2 3.32Å; K452-D513 PolarHBondContact NZ-OD2 2.58Å
514	C	77	Confident	65.4	Low	42 Å²	42	70.5 Å²	70.5	28%	0.284	38%	0.375	S	S	.	.	S	Bend	trans	-147.1	151.2	173.6	62.8	0	0	0	0	111.5	F453 S516 S517 L518	F453-C514 VanDerWaalsContact CD2-C 3.47Å; C514-S516 VanDerWaalsContact C-N 3.3Å; C514-S516 PolarHBondContact O-N 3Å; C514-S517 PolarHBondContact O-N 3.29Å; C514-S517 PolarHBondContact SG-OG 3.43Å; C514-S517 VanDerWaalsContact SG-OG 3.34Å; C514-L518 PolarHBondContact O-N 2.79Å
515	F	77.7	Confident	67.8	Low	0 Å²	0	61.9 Å²	61.9	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-61.8	-36.4	-176.3	-176.1	-107.9	0	0	0	112.8	F453 L465 S517 L518 V519 I574 V577 E581 F582 C585 L589	F453-F515 HydrophobicContact CD1-CB 4.08Å; F453-F515 HydrophobicContact CD1-CD2 4.05Å; F453-F515 HydrophobicContact CE1-CB 4.02Å; F453-F515 HydrophobicContact CE1-CD2 4.47Å; F453-F515 HydrophobicContact CG-CB 4.34Å; F453-F515 HydrophobicContact CZ-CB 4.22Å; L465-F515 HydrophobicContact CB-CE2 3.88Å; L465-F515 HydrophobicContact CD1-CE2 3.81Å; L465-F515 HydrophobicContact CD1-CZ 3.8Å; F515-S517 VanDerWaalsContact C-N 3.34Å; F515-S517 PolarHBondContact O-N 2.85Å; F515-L518 WeakPolarHBondContact O-CB 3.49Å; F515-L518 PolarHBondContact O-N 3.19Å; F515-L518 VanDerWaalsContact O-N 3.16Å; F515-V519 HydrophobicContact CD1-CG2 4.16Å; F515-V519 HydrophobicContact CE1-CG2 3.75Å; F515-V519 HydrophobicContact CE2-CG2 4.47Å; F515-V519 HydrophobicContact CZ-CG2 3.93Å; F515-V519 PolarHBondContact O-N 2.87Å; F515-I574 HydrophobicContact CZ-CD1 4.29Å; F515-V577 HydrophobicContact CB-CG1 4Å; F515-V577 HydrophobicContact CD1-CG1 3.89Å; F515-V577 HydrophobicContact CD2-CB 4.29Å; F515-V577 HydrophobicContact CD2-CG1 3.56Å; F515-V577 HydrophobicContact CD2-CG2 3.7Å; F515-V577 HydrophobicContact CE1-CG1 4.23Å; F515-V577 HydrophobicContact CE2-CB 4.39Å; F515-V577 HydrophobicContact CE2-CG1 3.92Å; F515-V577 HydrophobicContact CE2-CG2 3.74Å; F515-V577 HydrophobicContact CG-CG1 3.54Å; F515-V577 HydrophobicContact CZ-CG1 4.24Å; F515-E581 HydrophobicContact CB-CB 4.22Å; F515-F582 HydrophobicContact CE1-CB 4.48Å; F515-F582 HydrophobicContact CE1-CD2 4.28Å; F515-F582 HydrophobicContact CZ-CD2 4.33Å; F515-C585 HydrophobicContact CD1-CB 4.29Å; F515-C585 HydrophobicContact CE1-CB 3.87Å; F515-L589 HydrophobicContact CE1-CD1 4.32Å; F515-L589 HydrophobicContact CZ-CD1 4.23Å
516	S	82.6	Confident	70	Confident	40 Å²	40	58.7 Å²	58.7	28%	0.28	31%	0.31	S	S	.	.	H	α-helix	trans	-64.6	-34.2	177.8	56.2	0	0	0	0	113.2	C514 V519 N520	C514-S516 VanDerWaalsContact C-N 3.3Å; C514-S516 PolarHBondContact O-N 3Å; S516-V519 PolarHBondContact O-N 2.93Å; S516-N520 WeakPolarHBondContact O-CB 3.23Å; S516-N520 PolarHBondContact O-N 3.46Å; S516-N520 PolarHBondContact O-ND2 2.66Å; S516-N520 PolarHBondContact O-OD1 2.98Å
517	S	80.4	Confident	71.9	Confident	55 Å²	55	56 Å²	56	39%	0.385	30%	0.296	S	S	.	.	H	α-helix	trans	-68	-34.8	172.9	-78.3	0	0	0	0	112.6	C514 F515 H521	C514-S517 PolarHBondContact O-N 3.29Å; C514-S517 PolarHBondContact SG-OG 3.43Å; C514-S517 VanDerWaalsContact SG-OG 3.34Å; F515-S517 VanDerWaalsContact C-N 3.34Å; F515-S517 PolarHBondContact O-N 2.85Å; S517-H521 WeakPolarHBondContact O-CB 3.27Å; S517-H521 PolarHBondContact O-N 3.36Å
518	L	84.6	Confident	73.4	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.7	-50.1	171.9	-177.6	161.2	0	0	0	110.5	F453 T454 L465 F512 C514 F515 N520 H521 L522	F453-L518 HydrophobicContact CB-CD1 3.88Å; T454-L518 WeakPolarHBondContact O-CD1 3.48Å; L465-L518 HydrophobicContact CD1-CD2 4.14Å; L465-L518 HydrophobicContact CD2-CD2 3.83Å; L465-L518 HydrophobicContact CG-CD2 4.48Å; F512-L518 HydrophobicContact CB-CB 4.13Å; F512-L518 HydrophobicContact CD2-CB 3.59Å; F512-L518 HydrophobicContact CD2-CD1 3.93Å; F512-L518 HydrophobicContact CD2-CG 3.74Å; F512-L518 HydrophobicContact CE2-CB 4.14Å; F512-L518 HydrophobicContact CE2-CD1 4.38Å; F512-L518 HydrophobicContact CE2-CG 3.95Å; F512-L518 HydrophobicContact CG-CB 3.81Å; F512-L518 HydrophobicContact CG-CG 4.46Å; C514-L518 PolarHBondContact O-N 2.79Å; F515-L518 WeakPolarHBondContact O-CB 3.49Å; F515-L518 PolarHBondContact O-N 3.19Å; F515-L518 VanDerWaalsContact O-N 3.16Å; L518-N520 PolarHBondContact O-N 3.38Å; L518-H521 WeakPolarHBondContact O-CB 3.27Å; L518-H521 PolarHBondContact O-N 3.43Å; L518-H521 VanDerWaalsContact O-N 3.11Å; L518-L522 HydrophobicContact CD2-CD1 3.65Å; L518-L522 HydrophobicContact CD2-CG 4.08Å; L518-L522 PolarHBondContact O-N 2.78Å
519	V	85.5	Confident	74.3	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63	-42.3	-179.2	176.8	0	0	0	0	111.2	F515 S516 H521 L522 Q523 C585 K588 L589	F515-V519 HydrophobicContact CD1-CG2 4.16Å; F515-V519 HydrophobicContact CE1-CG2 3.75Å; F515-V519 HydrophobicContact CE2-CG2 4.47Å; F515-V519 HydrophobicContact CZ-CG2 3.93Å; F515-V519 PolarHBondContact O-N 2.87Å; S516-V519 PolarHBondContact O-N 2.93Å; V519-H521 VanDerWaalsContact C-N 3.3Å; V519-H521 PolarHBondContact O-N 3.36Å; V519-L522 PolarHBondContact O-N 3.41Å; V519-Q523 PolarHBondContact O-N 2.71Å; V519-C585 HydrophobicContact CG1-CB 4.36Å; V519-C585 HydrophobicContact CG2-CB 4.09Å; V519-K588 HydrophobicContact CG1-CB 3.87Å; V519-K588 HydrophobicContact CG1-CD 4.27Å; V519-L589 HydrophobicContact CG1-CD2 4.24Å; V519-L589 HydrophobicContact CG1-CG 4.3Å; V519-L589 HydrophobicContact CG2-CD2 4.15Å; V519-L589 HydrophobicContact CG2-CG 4.39Å
520	N	84.1	Confident	74.4	Confident	69 Å²	69	47.2 Å²	47.2	37%	0.369	25%	0.247	S	C	.	.	H	α-helix	trans	-59.3	-39	173.3	-68.6	-18.7	0	0	0	112	S516 L518 Q523 Y524 K588	S516-N520 WeakPolarHBondContact O-CB 3.23Å; S516-N520 PolarHBondContact O-N 3.46Å; S516-N520 PolarHBondContact O-ND2 2.66Å; S516-N520 PolarHBondContact O-OD1 2.98Å; L518-N520 PolarHBondContact O-N 3.38Å; N520-Q523 PolarHBondContact O-N 2.91Å; N520-Y524 WeakPolarHBondContact O-CB 3.46Å; N520-Y524 PolarHBondContact O-N 3Å; N520-K588 PolarHBondContact OD1-NZ 3.06Å
521	H	81.7	Confident	73.8	Confident	43 Å²	43	48.5 Å²	48.5	20%	0.199	25%	0.254	C	S	.	.	H	α-helix	trans	-65.6	-42.7	175.7	175.8	90.8	0	0	0	112	F512 S517 L518 V519 Q523 Y524 V525	F512-H521 HydrophobicContact CE1-CB 3.53Å; F512-H521 AromaticContact CE1-CG 3.72Å; F512-H521 HydrophobicContact CZ-CB 3.61Å; F512-H521 AromaticContact CZ-CD2 3.57Å; F512-H521 AromaticContact CZ-CG 3.44Å; F512-H521 VanDerWaalsContact CZ-CG 3.44Å; F512-H521 AromaticContact CZ-ND1 3.96Å; S517-H521 WeakPolarHBondContact O-CB 3.27Å; S517-H521 PolarHBondContact O-N 3.36Å; L518-H521 WeakPolarHBondContact O-CB 3.27Å; L518-H521 PolarHBondContact O-N 3.43Å; L518-H521 VanDerWaalsContact O-N 3.11Å; V519-H521 VanDerWaalsContact C-N 3.3Å; V519-H521 PolarHBondContact O-N 3.36Å; H521-Q523 PolarHBondContact O-N 2.88Å; H521-Y524 WeakPolarHBondContact O-CB 3.48Å; H521-Y524 PolarHBondContact O-N 2.99Å; H521-V525 VanDerWaalsContact O-CG2 3.29Å; H521-V525 WeakPolarHBondContact O-CG2 3.42Å; H521-V525 PolarHBondContact O-N 2.96Å
522	L	83	Confident	72.2	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.2	-41.3	176	-63.7	179.8	0	0	0	112	Y455 L463 L465 L518 V519 V525 Q526 F566 L592	Y455-L522 HydrophobicContact CD1-CD2 3.98Å; Y455-L522 HydrophobicContact CD2-CD2 4.34Å; Y455-L522 HydrophobicContact CE1-CD2 4.26Å; Y455-L522 HydrophobicContact CG-CD2 4.05Å; L463-L522 HydrophobicContact CD2-CD1 4.19Å; L465-L522 HydrophobicContact CD2-CD1 3.98Å; L518-L522 HydrophobicContact CD2-CD1 3.65Å; L518-L522 HydrophobicContact CD2-CG 4.08Å; L518-L522 PolarHBondContact O-N 2.78Å; V519-L522 PolarHBondContact O-N 3.41Å; L522-V525 PolarHBondContact O-N 2.83Å; L522-Q526 PolarHBondContact O-N 3.48Å; L522-F566 HydrophobicContact CB-CE1 4.1Å; L522-F566 HydrophobicContact CB-CZ 4.16Å; L522-F566 HydrophobicContact CD1-CE1 4.48Å; L522-F566 HydrophobicContact CD2-CE1 4.06Å; L522-F566 HydrophobicContact CD2-CZ 4.01Å; L522-F566 HydrophobicContact CG-CE1 4.44Å; L522-L592 HydrophobicContact CB-CD1 4.07Å; L522-L592 HydrophobicContact CB-CD2 3.99Å; L522-L592 HydrophobicContact CD1-CD2 4.15Å
523	Q	82.6	Confident	70.7	Confident	41 Å²	41	51.4 Å²	51.4	19%	0.192	28%	0.276	C	S	.	.	H	α-helix	trans	-62.7	-40.2	173.5	-70.1	-172.1	-53.1	0	0	112.3	V519 N520 H521 Q526 S527 L592	V519-Q523 PolarHBondContact O-N 2.71Å; N520-Q523 PolarHBondContact O-N 2.91Å; H521-Q523 PolarHBondContact O-N 2.88Å; Q523-Q526 PolarHBondContact O-N 3.5Å; Q523-S527 WeakPolarHBondContact O-CB 3.27Å; Q523-S527 PolarHBondContact O-N 3.3Å; Q523-S527 PolarHBondContact O-OG 3.3Å; Q523-L592 HydrophobicContact CG-CD1 3.97Å
524	Y	78.8	Confident	69.2	Low	143 Å²	143	53.5 Å²	53.5	56%	0.561	29%	0.287	S	S	*	.	H	α-helix	trans	-63.4	-40.8	174.1	176.8	-107.2	0	0	0	112.5	N520 H521 S527 N528	N520-Y524 WeakPolarHBondContact O-CB 3.46Å; N520-Y524 PolarHBondContact O-N 3Å; H521-Y524 WeakPolarHBondContact O-CB 3.48Å; H521-Y524 PolarHBondContact O-N 2.99Å; Y524-S527 WeakPolarHBondContact O-CB 3.41Å; Y524-S527 PolarHBondContact O-N 3.13Å; Y524-N528 VanDerWaalsContact CE1-ND2 3.27Å; Y524-N528 WeakPolarHBondContact CE1-ND2 3.26Å; Y524-N528 PolarHBondContact O-N 3.49Å; Y524-N528 PolarHBondContact OH-ND2 3.39Å
525	V	73.8	Confident	67	Low	11 Å²	11	56.7 Å²	56.7	7%	0.067	30%	0.301	C	S	.	.	H	α-helix	trans	-64.8	-46.1	176	172.2	0	0	0	0	111.5	H521 L522 S527 N528 N529 L561 F566	H521-V525 VanDerWaalsContact O-CG2 3.29Å; H521-V525 WeakPolarHBondContact O-CG2 3.42Å; H521-V525 PolarHBondContact O-N 2.96Å; L522-V525 PolarHBondContact O-N 2.83Å; V525-S527 VanDerWaalsContact C-N 3.27Å; V525-S527 PolarHBondContact O-N 2.85Å; V525-N528 PolarHBondContact O-N 3.02Å; V525-N529 PolarHBondContact O-N 2.61Å; V525-L561 HydrophobicContact CG1-CB 3.93Å; V525-L561 HydrophobicContact CG1-CD1 4.34Å; V525-L561 HydrophobicContact CG1-CD2 4.12Å; V525-L561 HydrophobicContact CG1-CG 4.35Å; V525-L561 HydrophobicContact CG2-CD1 3.79Å; V525-F566 HydrophobicContact CG1-CE2 4.2Å; V525-F566 HydrophobicContact CG1-CZ 4.48Å
526	Q	74.4	Confident	64.8	Low	31 Å²	31	63.1 Å²	63.1	15%	0.145	34%	0.336	C	S	.	.	H	α-helix	trans	-59.2	-41	175.6	-169.2	-175.8	24.9	0	0	111.2	L522 Q523 N529 N530 F566 N567 L592	L522-Q526 PolarHBondContact O-N 3.48Å; Q523-Q526 PolarHBondContact O-N 3.5Å; Q526-N529 PolarHBondContact O-N 3.48Å; Q526-N530 PolarHBondContact O-N 2.76Å; Q526-N530 VanDerWaalsContact O-N 3.08Å; Q526-N530 PolarHBondContact O-ND2 3.32Å; Q526-F566 HydrophobicContact CB-CD2 3.72Å; Q526-F566 HydrophobicContact CB-CE2 3.91Å; Q526-F566 HydrophobicContact CG-CD2 3.85Å; Q526-N567 PolarHBondContact NE2-OD1 3.08Å; Q526-L592 HydrophobicContact CB-CD1 4.38Å
527	S	71.1	Confident	62.2	Low	61 Å²	61	65.2 Å²	65.2	43%	0.427	36%	0.355	S	S	.	.	H	α-helix	trans	-61.5	-45.2	176.7	-58.5	0	0	0	0	112.3	Q523 Y524 V525 N530 I531	Q523-S527 WeakPolarHBondContact O-CB 3.27Å; Q523-S527 PolarHBondContact O-N 3.3Å; Q523-S527 PolarHBondContact O-OG 3.3Å; Y524-S527 WeakPolarHBondContact O-CB 3.41Å; Y524-S527 PolarHBondContact O-N 3.13Å; V525-S527 VanDerWaalsContact C-N 3.27Å; V525-S527 PolarHBondContact O-N 2.85Å; S527-N530 PolarHBondContact O-N 3.47Å; S527-I531 WeakPolarHBondContact O-CG1 3.36Å; S527-I531 PolarHBondContact O-N 2.81Å
528	N	60.7	Low	59.6	Low	55 Å²	55	69.3 Å²	69.3	29%	0.294	37%	0.372	S	S	.	.	H	α-helix	trans	-68.7	-36.4	178.3	-78.1	-7	0	0	0	113.3	Y524 V525 I531 N532	Y524-N528 VanDerWaalsContact CE1-ND2 3.27Å; Y524-N528 WeakPolarHBondContact CE1-ND2 3.26Å; Y524-N528 PolarHBondContact O-N 3.49Å; Y524-N528 PolarHBondContact OH-ND2 3.39Å; V525-N528 PolarHBondContact O-N 3.02Å; N528-I531 PolarHBondContact O-N 3.17Å; N528-N532 PolarHBondContact O-N 2.86Å; N528-N532 PolarHBondContact O-ND2 3.22Å
529	N	59.9	Low	57	Low	27 Å²	27	77.2 Å²	77.2	14%	0.144	41%	0.412	C	S	.	.	H	α-helix	trans	-62.9	-46.1	174.2	-72.4	-6.2	0	0	0	110.3	V525 Q526 I531 N532 D533 L561 L564	V525-N529 PolarHBondContact O-N 2.61Å; Q526-N529 PolarHBondContact O-N 3.48Å; N529-I531 PolarHBondContact O-N 3.39Å; N529-N532 PolarHBondContact O-N 2.98Å; N529-D533 PolarHBondContact O-N 3Å; N529-L561 PolarHBondContact ND2-O 3.26Å; N529-L564 PolarHBondContact ND2-O 3.48Å; N529-L564 VanDerWaalsContact ND2-O 3.14Å
530	N	54.7	Low	54.2	Low	88 Å²	88	81.6 Å²	81.6	47%	0.471	44%	0.443	S	S	.	.	H	α-helix	trans	-62	-25.1	177.5	-69.1	-17.1	0	0	0	114.3	Q526 S527 N534	Q526-N530 PolarHBondContact O-N 2.76Å; Q526-N530 VanDerWaalsContact O-N 3.08Å; Q526-N530 PolarHBondContact O-ND2 3.32Å; S527-N530 PolarHBondContact O-N 3.47Å; N530-N534 PolarHBondContact O-ND2 3.27Å
531	I	45.8	Very low	51.5	Low	91 Å²	91	88 Å²	88	47%	0.467	46%	0.461	S	S	.	.	H	α-helix	trans	-78.1	-40.5	177.3	-70.1	164.5	0	0	0	111.2	S527 N528 N529 D533 N534 N535	S527-I531 WeakPolarHBondContact O-CG1 3.36Å; S527-I531 PolarHBondContact O-N 2.81Å; N528-I531 PolarHBondContact O-N 3.17Å; N529-I531 PolarHBondContact O-N 3.39Å; I531-D533 PolarHBondContact O-N 3.01Å; I531-N534 PolarHBondContact O-N 3.1Å; I531-N535 PolarHBondContact O-N 2.77Å
532	N	41.1	Very low	49	Very low	74 Å²	74	91.7 Å²	91.7	40%	0.396	48%	0.483	S	S	.	.	H	α-helix	trans	-68.4	-35	-177.4	-71.5	-48.8	0	0	0	112.8	N528 N529 N534 N535 N536	N528-N532 PolarHBondContact O-N 2.86Å; N528-N532 PolarHBondContact O-ND2 3.22Å; N529-N532 PolarHBondContact O-N 2.98Å; N532-N534 PolarHBondContact O-N 3.04Å; N532-N535 PolarHBondContact O-N 2.68Å; N532-N536 PolarHBondContact O-N 3.19Å; N532-N536 VanDerWaalsContact O-N 3.13Å; N532-N536 PolarHBondContact O-ND2 2.89Å
533	D	39.6	Very low	46.7	Very low	127 Å²	127	98.1 Å²	98.1	68%	0.679	52%	0.517	S	S	*	.	H	α-helix	trans	-61.6	-24.8	174.6	-78.8	-14.6	0	0	0	113.2	N529 I531	N529-D533 PolarHBondContact O-N 3Å; I531-D533 PolarHBondContact O-N 3.01Å
534	N	33.9	Very low	44.1	Very low	125 Å²	125	103 Å²	103	67%	0.668	55%	0.545	S	S	*	.	H	α-helix	trans	-86.7	-26.2	176.6	-75.6	-75.2	0	0	0	113.5	N530 I531 N532	N530-N534 PolarHBondContact O-ND2 3.27Å; I531-N534 PolarHBondContact O-N 3.1Å; N532-N534 PolarHBondContact O-N 3.04Å
535	N	31.6	Very low	41.9	Very low	109 Å²	109	103.9 Å²	103.9	58%	0.583	56%	0.559	S	S	*	*	H	α-helix	trans	-88.9	-23.7	-178.8	-73.7	-20.1	0	0	0	113.5	I531 N532 A537 I538	I531-N535 PolarHBondContact O-N 2.77Å; N532-N535 PolarHBondContact O-N 2.68Å; N535-A537 PolarHBondContact O-N 3.1Å; N535-I538 PolarHBondContact O-N 2.78Å
536	N	31.2	Very low	39.8	Very low	136 Å²	136	111.7 Å²	111.7	73%	0.727	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	6.4	177.2	-76.3	-27.8	0	0	0	114.9	N532	N532-N536 PolarHBondContact O-N 3.19Å; N532-N536 VanDerWaalsContact O-N 3.13Å; N532-N536 PolarHBondContact O-ND2 2.89Å
537	A	28.1	Very low	37.9	Very low	83 Å²	83	118 Å²	118	69%	0.686	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	-16.6	175.5	0	0	0	0	0	114.3	N535	N535-A537 PolarHBondContact O-N 3.1Å
538	I	26.3	Very low	35.9	Very low	142 Å²	142	123.9 Å²	123.9	73%	0.728	65%	0.65	S	S	*	*	S	Bend	trans	-142.7	89	-175.1	-46.9	178.4	0	0	0	111.5	N535	N535-I538 PolarHBondContact O-N 2.78Å
539	I	28.9	Very low	34.3	Very low	166 Å²	166	128.4 Å²	128.4	85%	0.851	68%	0.675	S	S	*	*				-173.2	118.7	126.9	-92.7	151.4	0	0	0	106.6
540	S	26	Very low	32.9	Very low	92 Å²	92	135.4 Å²	135.4	64%	0.643	71%	0.712	S	S	*	*			trans	-109.8	150.6	163.7	65	0	0	0	0	108
541	R	27.8	Very low	31.7	Very low	202 Å²	202	137.2 Å²	137.2	76%	0.762	72%	0.718	S	S	*	*			trans	92.6	114.3	162.5	-71.3	-168.3	167.4	88.1	5.6	119
542	D	30.6	Very low	30.9	Very low	121 Å²	121	140 Å²	140	65%	0.647	73%	0.732	S	S	*	*				89.1	115.3	119.9	-53.8	-4.2	0	0	0	119
543	D	32.9	Very low	30.4	Very low	136 Å²	136	145.9 Å²	145.9	73%	0.727	76%	0.757	S	S	*	*			trans	81.5	115	139.8	-49.6	-10.5	0	0	0	121.5
544	D	29.2	Very low	29.9	Very low	144 Å²	144	149.9 Å²	149.9	77%	0.77	76%	0.763	S	S	*	*			trans	47.3	115.9	132.2	-51.4	-15.7	0	0	0	120.9
545	D	32.9	Very low	29.7	Very low	161 Å²	161	149 Å²	149	86%	0.861	75%	0.753	S	S	*	*				-170.7	167.2	97.1	-111.6	-27	0	0	0	114
546	E	30.1	Very low	29.5	Very low	174 Å²	174	152.2 Å²	152.2	81%	0.813	76%	0.764	S	S	*	*			trans	-55.7	136.5	-171.2	-55.9	176.9	150.6	0	0	116
547	N	32.9	Very low	29.6	Very low	165 Å²	165	149.4 Å²	149.4	88%	0.882	76%	0.756	S	S	*	*			trans	-172.6	87.3	143.9	-101.1	-77.8	0	0	0	109.5
548	E	30	Very low	29.7	Very low	183 Å²	183	150 Å²	150	86%	0.855	75%	0.747	S	S	*	*			trans	-77.2	-179	161.3	-66.4	-167.5	123.2	0	0	110.4
549	D	27	Very low	30	Very low	151 Å²	151	149.1 Å²	149.1	81%	0.807	74%	0.74	S	S	*	*	S	Bend	trans	59.9	72.5	-179.5	-64.1	-18.5	0	0	0	116.6
550	N	29.6	Very low	30.5	Very low	173 Å²	173	144.4 Å²	144.4	93%	0.925	72%	0.721	S	S	*	*	S	Bend	trans	-175.9	1.7	141.3	-104.9	-67.8	0	0	0	116.5
551	E	29.4	Very low	31.3	Very low	127 Å²	127	140.8 Å²	140.8	59%	0.593	70%	0.695	S	S	*	*			trans	-119.3	26.2	-164.4	-140.3	-166.6	-170.9	0	0	117.2	K555	E551-K555 VanDerWaalsContact CD-CE 3.43Å; E551-K555 WeakPolarHBondContact O-CD 3.44Å; E551-K555 VanDerWaalsContact O-CE 3.3Å; E551-K555 WeakPolarHBondContact O-CE 3.04Å; E551-K555 WeakPolarHBondContact OE2-CE 3.46Å; E551-K555 IonicContact OE2-NZ 2.64Å; E551-K555 PolarHBondContact OE2-NZ 2.95Å
552	I	30.7	Very low	32.1	Very low	150 Å²	150	137.2 Å²	137.2	77%	0.769	69%	0.685	S	S	*	*	S	Bend	trans	-88.1	-44.3	-176.2	-64.8	179.1	0	0	0	112.8	R554	I552-R554 PolarHBondContact O-N 3.04Å
553	E	30	Very low	32.8	Very low	197 Å²	197	139 Å²	139	92%	0.921	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	8	-174.6	-65.4	-167.6	141.6	0	0	116.1
554	R	29.6	Very low	33.8	Very low	210 Å²	210	133.6 Å²	133.6	79%	0.792	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.5	-2	179.5	-75.9	-171.1	175.1	128.3	3.1	115.8	I552	I552-R554 PolarHBondContact O-N 3.04Å
555	K	28.4	Very low	35.7	Very low	108 Å²	108	130.6 Å²	130.6	47%	0.47	65%	0.649	S	S	.	*	S	Bend	trans	-96.8	-28.3	-168.8	-71.1	179.6	-179.2	170	0	115.2	E551	E551-K555 VanDerWaalsContact CD-CE 3.43Å; E551-K555 WeakPolarHBondContact O-CD 3.44Å; E551-K555 VanDerWaalsContact O-CE 3.3Å; E551-K555 WeakPolarHBondContact O-CE 3.04Å; E551-K555 WeakPolarHBondContact OE2-CE 3.46Å; E551-K555 IonicContact OE2-NZ 2.64Å; E551-K555 PolarHBondContact OE2-NZ 2.95Å
556	E	28.9	Very low	37.8	Very low	175 Å²	175	123 Å²	123	82%	0.818	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-78	-34.8	-170	-58.7	-164	136.5	0	0	114.6	N558	E556-N558 VanDerWaalsContact C-N 3.29Å; E556-N558 PolarHBondContact O-N 3.43Å
557	S	31.5	Very low	40	Very low	78 Å²	78	118.5 Å²	118.5	55%	0.545	59%	0.59	S	S	.	*	G	3₁₀ helix	trans	-72.4	-14	-175.1	56.1	0	0	0	0	115.4
558	N	32.2	Very low	42.3	Very low	96 Å²	96	118.3 Å²	118.3	51%	0.513	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-101.2	-4.6	-175.9	-84.2	-61.5	0	0	0	114.8	E556	E556-N558 VanDerWaalsContact C-N 3.29Å; E556-N558 PolarHBondContact O-N 3.43Å
559	H	31.5	Very low	44.9	Very low	122 Å²	122	109.8 Å²	109.8	57%	0.565	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-32.2	-170.3	-106.8	-86.6	0	0	0	114.6	L561	H559-L561 VanDerWaalsContact C-N 3.34Å; H559-L561 PolarHBondContact O-N 2.79Å
560	S	39	Very low	47.7	Very low	67 Å²	67	104.8 Å²	104.8	47%	0.469	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-26.4	-175.6	-50.9	0	0	0	0	114.5	L564	S560-L564 WeakPolarHBondContact O-CD1 3.33Å
561	L	43.3	Very low	50.6	Low	16 Å²	16	98.7 Å²	98.7	8%	0.084	48%	0.477	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-23.1	-176.1	-77.6	174.8	0	0	0	114.2	Y455 I510 V525 N529 H559 L563 L564	Y455-L561 HydrophobicContact CE2-CD2 3.92Å; Y455-L561 WeakPolarHBondContact OH-CD1 3.34Å; Y455-L561 WeakPolarHBondContact OH-CD2 3.32Å; I510-L561 HydrophobicContact CD1-CD1 4.44Å; V525-L561 HydrophobicContact CG1-CB 3.93Å; V525-L561 HydrophobicContact CG1-CD1 4.34Å; V525-L561 HydrophobicContact CG1-CD2 4.12Å; V525-L561 HydrophobicContact CG1-CG 4.35Å; V525-L561 HydrophobicContact CG2-CD1 3.79Å; N529-L561 PolarHBondContact ND2-O 3.26Å; H559-L561 VanDerWaalsContact C-N 3.34Å; H559-L561 PolarHBondContact O-N 2.79Å; L561-L563 PolarHBondContact O-N 3.25Å; L561-L564 HydrophobicContact CD2-CD1 4.11Å; L561-L564 HydrophobicContact CD2-CD2 4.34Å; L561-L564 PolarHBondContact O-N 3.25Å; L561-L564 VanDerWaalsContact O-N 3.13Å
562	K	43.9	Very low	53.6	Low	127 Å²	127	92.7 Å²	92.7	55%	0.552	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-8.8	179.8	-75	-178.4	174.9	178.7	0	114.3
563	L	45.6	Very low	56.4	Low	158 Å²	158	85.6 Å²	85.6	83%	0.827	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	0.7	178.7	-81.9	157	0	0	0	113.7	L561 N565	L561-L563 PolarHBondContact O-N 3.25Å; L563-N565 PolarHBondContact O-N 2.97Å
564	L	55	Low	59.2	Low	23 Å²	23	76.2 Å²	76.2	12%	0.12	37%	0.368	C	S	.	.			trans	-75.2	105.9	173.6	-96.6	82.6	0	0	0	111.1	L457 N529 S560 L561 F566	L457-L564 HydrophobicContact CD1-CD1 3.75Å; L457-L564 HydrophobicContact CD1-CD2 4.13Å; L457-L564 HydrophobicContact CD1-CG 3.91Å; L457-L564 HydrophobicContact CG-CD2 4.49Å; N529-L564 PolarHBondContact ND2-O 3.48Å; N529-L564 VanDerWaalsContact ND2-O 3.14Å; S560-L564 WeakPolarHBondContact O-CD1 3.33Å; L561-L564 HydrophobicContact CD2-CD1 4.11Å; L561-L564 HydrophobicContact CD2-CD2 4.34Å; L561-L564 PolarHBondContact O-N 3.25Å; L561-L564 VanDerWaalsContact O-N 3.13Å; L564-F566 HydrophobicContact CB-CD2 4.37Å; L564-F566 HydrophobicContact CB-CE2 3.96Å; L564-F566 HydrophobicContact CB-CZ 4.26Å; L564-F566 HydrophobicContact CD2-CE1 3.87Å; L564-F566 HydrophobicContact CD2-CE2 4.26Å; L564-F566 HydrophobicContact CD2-CZ 3.7Å
565	N	69.3	Low	61.8	Low	82 Å²	82	69 Å²	69	44%	0.439	34%	0.341	S	S	.	.			trans	-95.8	96.1	162.2	-174.2	-26.7	0	0	0	109	L563 N567 R568	L563-N565 PolarHBondContact O-N 2.97Å; N565-N567 PolarHBondContact O-N 3.03Å; N565-N567 VanDerWaalsContact O-N 3.14Å; N565-N567 VanDerWaalsContact OD1-CB 3.31Å; N565-N567 WeakPolarHBondContact OD1-CB 3.4Å; N565-N567 PolarHBondContact OD1-N 2.82Å; N565-R568 PolarHBondContact O-N 3.07Å; N565-R568 VanDerWaalsContact O-N 3.08Å
566	F	76.9	Confident	64.3	Low	1 Å²	1	65.6 Å²	65.6	0%	0.004	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-59.5	-24.4	-176.3	-67.9	-93.6	0	0	0	113.6	L522 V525 Q526 L564 R568 I569 L592 L593	L522-F566 HydrophobicContact CB-CE1 4.1Å; L522-F566 HydrophobicContact CB-CZ 4.16Å; L522-F566 HydrophobicContact CD1-CE1 4.48Å; L522-F566 HydrophobicContact CD2-CE1 4.06Å; L522-F566 HydrophobicContact CD2-CZ 4.01Å; L522-F566 HydrophobicContact CG-CE1 4.44Å; V525-F566 HydrophobicContact CG1-CE2 4.2Å; V525-F566 HydrophobicContact CG1-CZ 4.48Å; Q526-F566 HydrophobicContact CB-CD2 3.72Å; Q526-F566 HydrophobicContact CB-CE2 3.91Å; Q526-F566 HydrophobicContact CG-CD2 3.85Å; L564-F566 HydrophobicContact CB-CD2 4.37Å; L564-F566 HydrophobicContact CB-CE2 3.96Å; L564-F566 HydrophobicContact CB-CZ 4.26Å; L564-F566 HydrophobicContact CD2-CE1 3.87Å; L564-F566 HydrophobicContact CD2-CE2 4.26Å; L564-F566 HydrophobicContact CD2-CZ 3.7Å; F566-R568 PolarHBondContact O-N 2.99Å; F566-I569 HydrophobicContact CB-CD1 4.24Å; F566-I569 HydrophobicContact CD1-CD1 3.66Å; F566-I569 HydrophobicContact CE1-CD1 4.44Å; F566-I569 HydrophobicContact CG-CD1 4.27Å; F566-I569 WeakPolarHBondContact O-CB 3.46Å; F566-I569 PolarHBondContact O-N 2.77Å; F566-L592 HydrophobicContact CB-CG 4.49Å; F566-L592 WeakPolarHBondContact CB-O 3.39Å; F566-L592 HydrophobicContact CD1-CD1 4.06Å; F566-L592 HydrophobicContact CD1-CD2 3.92Å; F566-L592 HydrophobicContact CD1-CG 3.84Å; F566-L592 HydrophobicContact CE1-CD1 4.26Å; F566-L592 HydrophobicContact CE1-CD2 4.11Å; F566-L592 HydrophobicContact CE1-CG 4.35Å; F566-L592 HydrophobicContact CG-CD1 4.29Å; F566-L592 HydrophobicContact CG-CG 4.26Å; F566-L593 HydrophobicContact CB-CD2 4.4Å; F566-L593 HydrophobicContact CD1-CD2 4.17Å
567	N	76.5	Confident	66.7	Low	80 Å²	80	57.3 Å²	57.3	43%	0.428	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-67.3	-5	177.2	-50.5	-11	0	0	0	113.3	Q526 N565 Q595	Q526-N567 PolarHBondContact NE2-OD1 3.08Å; N565-N567 PolarHBondContact O-N 3.03Å; N565-N567 VanDerWaalsContact O-N 3.14Å; N565-N567 VanDerWaalsContact OD1-CB 3.31Å; N565-N567 WeakPolarHBondContact OD1-CB 3.4Å; N565-N567 PolarHBondContact OD1-N 2.82Å; N567-Q595 WeakPolarHBondContact O-CG 3.31Å
568	R	80.5	Confident	68.9	Low	161 Å²	161	54.7 Å²	54.7	61%	0.608	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-98.7	-2.1	172.9	-66.1	-174.5	173.3	-178.3	-1.6	113.9	T461 N565 F566 V570	T461-R568 WeakPolarHBondContact CA-O 3.13Å; T461-R568 WeakPolarHBondContact CB-O 3.49Å; T461-R568 WeakPolarHBondContact CG2-O 3.16Å; N565-R568 PolarHBondContact O-N 3.07Å; N565-R568 VanDerWaalsContact O-N 3.08Å; F566-R568 PolarHBondContact O-N 2.99Å; R568-V570 PolarHBondContact O-N 3Å
569	I	83.7	Confident	71.3	Confident	4 Å²	4	50.1 Å²	50.1	2%	0.021	25%	0.245	C	C	.	.			trans	-81.4	113.5	-179.8	-63.2	164.4	0	0	0	108.6	L463 F566 K571 L593	L463-I569 HydrophobicContact CB-CD1 4.12Å; L463-I569 HydrophobicContact CB-CG2 3.91Å; L463-I569 HydrophobicContact CD2-CD1 4.17Å; F566-I569 HydrophobicContact CB-CD1 4.24Å; F566-I569 HydrophobicContact CD1-CD1 3.66Å; F566-I569 HydrophobicContact CE1-CD1 4.44Å; F566-I569 HydrophobicContact CG-CD1 4.27Å; F566-I569 WeakPolarHBondContact O-CB 3.46Å; F566-I569 PolarHBondContact O-N 2.77Å; I569-K571 VanDerWaalsContact CG2-O 3.31Å; I569-K571 WeakPolarHBondContact CG2-O 3.38Å; I569-L593 HydrophobicContact CB-CD2 3.85Å; I569-L593 HydrophobicContact CD1-CD2 3.6Å; I569-L593 HydrophobicContact CG1-CD2 4.33Å; I569-L593 HydrophobicContact CG2-CD2 3.93Å
570	V	87	Confident	73.4	Confident	45 Å²	45	45.3 Å²	45.3	27%	0.273	22%	0.223	S	C	.	.			trans	-102.8	-16.1	-179.5	-179	0	0	0	0	111	T461 R568 Q595 E597 E598	T461-V570 PolarHBondContact O-N 2.93Å; R568-V570 PolarHBondContact O-N 3Å; V570-Q595 WeakPolarHBondContact CA-O 3.3Å; V570-E597 HydrophobicContact CG1-CB 3.71Å; V570-E597 HydrophobicContact CG1-CG 3.77Å; V570-E597 PolarHBondContact O-N 2.88Å; V570-E598 PolarHBondContact O-N 3.22Å
571	K	89.7	Confident	75.2	Confident	46 Å²	46	44.1 Å²	44.1	20%	0.2	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	136.8	-177.7	-175.2	161.1	-172.8	160.2	0	113.2	T461 H462 L463 I569 E598	T461-K571 PolarHBondContact O-N 2.83Å; H462-K571 WeakPolarHBondContact CA-O 3.4Å; H462-K571 HydrophobicContact CB-CB 4.31Å; H462-K571 WeakPolarHBondContact ND1-CD 3.44Å; L463-K571 PolarHBondContact N-O 3.22Å; I569-K571 VanDerWaalsContact CG2-O 3.31Å; I569-K571 WeakPolarHBondContact CG2-O 3.38Å; K571-E598 WeakPolarHBondContact CA-O 3.36Å; K571-E598 HydrophobicContact CB-CB 4.44Å; K571-E598 HydrophobicContact CD-CB 4.29Å; K571-E598 HydrophobicContact CD-CG 4.23Å; K571-E598 VanDerWaalsContact CD-OE2 3.26Å; K571-E598 WeakPolarHBondContact CD-OE2 3.18Å; K571-E598 VanDerWaalsContact CE-OE1 3.27Å; K571-E598 WeakPolarHBondContact CE-OE1 3.23Å; K571-E598 VanDerWaalsContact CE-OE2 3.23Å; K571-E598 WeakPolarHBondContact CE-OE2 3.31Å; K571-E598 HydrophobicContact CG-CB 4.15Å; K571-E598 HydrophobicContact CG-CG 4.38Å; K571-E598 IonicContact NZ-OE1 2.82Å; K571-E598 PolarHBondContact NZ-OE1 2.84Å; K571-E598 IonicContact NZ-OE2 3.62Å; K571-E598 PolarHBondContact NZ-OE2 3.31Å
572	L	92	Very high	77.1	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	120.9	178.2	-175.7	62.6	0	0	0	110.4	L463 L465 I574 L593 L596 E598 L599 N600	L463-L572 HydrophobicContact CB-CD1 4.04Å; L463-L572 HydrophobicContact CD2-CD1 3.99Å; L463-L572 HydrophobicContact CG-CD1 4.02Å; L463-L572 CarbonylContact O-C 3.59Å; L463-L572 WeakPolarHBondContact O-CA 3.03Å; L465-L572 HydrophobicContact CD1-CD1 4.25Å; L465-L572 HydrophobicContact CG-CD1 4.12Å; L572-I574 HydrophobicContact CD1-CD1 3.8Å; L572-I574 HydrophobicContact CD2-CD1 3.84Å; L572-I574 HydrophobicContact CD2-CG1 4.23Å; L572-I574 HydrophobicContact CG-CD1 3.65Å; L572-I574 HydrophobicContact CG-CG1 4.05Å; L572-L593 HydrophobicContact CD1-CD1 3.97Å; L572-L593 HydrophobicContact CD2-CD1 3.76Å; L572-L593 HydrophobicContact CG-CD1 4.31Å; L572-L596 HydrophobicContact CB-CD1 3.54Å; L572-L596 HydrophobicContact CB-CD2 4.14Å; L572-L596 HydrophobicContact CD2-CD2 4Å; L572-E598 PolarHBondContact N-O 3.49Å; L572-L599 HydrophobicContact CB-CD1 4.13Å; L572-L599 HydrophobicContact CD2-CD1 4.02Å; L572-L599 HydrophobicContact CG-CD1 4.13Å; L572-L599 WeakPolarHBondContact O-CA 3.44Å; L572-N600 PolarHBondContact O-N 2.93Å
573	T	89.7	Confident	78.9	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.7	165.4	-73.2	0	0	0	0	109.2	H462 L463 V464 L465 R575 N600 E602	H462-T573 PolarHBondContact NE2-OG1 3.17Å; L463-T573 PolarHBondContact O-N 2.82Å; V464-T573 CarbonylContact C-O 3.59Å; V464-T573 WeakPolarHBondContact CA-O 3.32Å; V464-T573 HydrophobicContact CG1-CG2 4.08Å; L465-T573 PolarHBondContact N-O 3.45Å; T573-R575 HydrophobicContact CG2-CB 4.32Å; T573-N600 WeakPolarHBondContact CA-O 3.49Å; T573-N600 HydrophobicContact CG2-CB 4.4Å; T573-N600 WeakPolarHBondContact OG1-CB 3.28Å; T573-E602 HydrophobicContact CG2-CG 4.29Å; T573-E602 VanDerWaalsContact CG2-OE1 3.29Å; T573-E602 WeakPolarHBondContact CG2-OE1 3.32Å
574	I	88.6	Confident	80.7	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	107.1	172.6	-53.9	-60.9	0	0	0	108.1	L465 F515 L572 V577 F582 L599 N600 L601 E602 N604	L465-I574 HydrophobicContact CB-CD1 3.9Å; L465-I574 HydrophobicContact CD1-CD1 3.75Å; L465-I574 HydrophobicContact CG-CD1 3.95Å; F515-I574 HydrophobicContact CZ-CD1 4.29Å; L572-I574 HydrophobicContact CD1-CD1 3.8Å; L572-I574 HydrophobicContact CD2-CD1 3.84Å; L572-I574 HydrophobicContact CD2-CG1 4.23Å; L572-I574 HydrophobicContact CG-CD1 3.65Å; L572-I574 HydrophobicContact CG-CG1 4.05Å; I574-V577 HydrophobicContact CG2-CB 3.66Å; I574-V577 HydrophobicContact CG2-CG1 4.41Å; I574-V577 HydrophobicContact CG2-CG2 3.77Å; I574-F582 HydrophobicContact CD1-CD2 4.21Å; I574-F582 HydrophobicContact CD1-CE2 4.07Å; I574-F582 HydrophobicContact CG1-CD2 3.92Å; I574-F582 HydrophobicContact CG1-CE2 3.67Å; I574-F582 HydrophobicContact CG1-CZ 4.36Å; I574-F582 HydrophobicContact CG2-CD2 4.04Å; I574-F582 HydrophobicContact CG2-CG 4.38Å; I574-L599 HydrophobicContact CG1-CD1 4.15Å; I574-N600 PolarHBondContact N-O 3.02Å; I574-L601 HydrophobicContact CB-CD2 4.33Å; I574-E602 PolarHBondContact O-N 2.9Å; I574-N604 PolarHBondContact O-ND2 2.86Å
575	R	84.9	Confident	82.1	Confident	59 Å²	59	31.5 Å²	31.5	22%	0.223	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	134.2	-175.1	-169.3	-174.8	-60.7	154.5	-8	113.6	L465 E466 G467 T573 V577 E602	L465-R575 PolarHBondContact O-N 3.2Å; E466-R575 WeakPolarHBondContact CA-O 3.31Å; E466-R575 HydrophobicContact CB-CB 4.42Å; E466-R575 HydrophobicContact CG-CB 4.11Å; E466-R575 HydrophobicContact CG-CG 4.41Å; E466-R575 VanDerWaalsContact OE1-CD 3.3Å; E466-R575 WeakPolarHBondContact OE1-CD 3.04Å; E466-R575 IonicContact OE1-CZ 2.66Å; E466-R575 IonicContact OE1-NE 2.71Å; E466-R575 IonicContact OE1-NH1 2.87Å; E466-R575 PolarHBondContact OE1-NH1 3.1Å; E466-R575 IonicContact OE2-CZ 2.82Å; E466-R575 IonicContact OE2-NH1 3.88Å; E466-R575 PolarHBondContact OE2-NH1 2.88Å; G467-R575 PolarHBondContact N-O 2.92Å; T573-R575 HydrophobicContact CG2-CB 4.32Å; R575-V577 WeakPolarHBondContact O-CG2 3.08Å; R575-V577 PolarHBondContact O-N 2.7Å; R575-E602 CarbonylContact C-O 3.57Å; R575-E602 VanDerWaalsContact CA-O 3.22Å; R575-E602 WeakPolarHBondContact CA-O 3.4Å; R575-E602 HydrophobicContact CB-CB 4.05Å; R575-E602 HydrophobicContact CG-CB 3.84Å; R575-E602 IonicContact CZ-OE2 2.74Å; R575-E602 IonicContact NE-OE2 2.75Å; R575-E602 PolarHBondContact NE-OE2 2.65Å; R575-E602 IonicContact NH2-OE2 3.13Å; R575-E602 PolarHBondContact NH2-OE2 3.12Å
576	N	81	Confident	82.9	Confident	37 Å²	37	27.8 Å²	27.8	20%	0.198	13%	0.131	C	C	.	.	S	Bend	trans	58.3	14.8	177.3	-57.2	-27.9	0	0	0	114.1	L442 G467 E602 N603	L442-N576 HydrophobicContact CD1-CB 3.84Å; G467-N576 WeakPolarHBondContact O-CB 3.43Å; G467-N576 PolarHBondContact O-ND2 3.24Å; N576-E602 PolarHBondContact N-O 2.78Å; N576-N603 WeakPolarHBondContact CA-O 3.49Å; N576-N603 PolarHBondContact OD1-ND2 3.37Å
577	V	78.3	Confident	83.2	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.154	C	C	.	.			trans	-95.9	125.2	174.4	-172.8	0	0	0	0	107.9	F453 F515 I574 R575 W579 E581 F582 N604	F453-V577 HydrophobicContact CD1-CG2 4.1Å; F453-V577 HydrophobicContact CE1-CB 4.42Å; F453-V577 HydrophobicContact CE1-CG1 4.19Å; F453-V577 HydrophobicContact CE1-CG2 4.05Å; F515-V577 HydrophobicContact CB-CG1 4Å; F515-V577 HydrophobicContact CD1-CG1 3.89Å; F515-V577 HydrophobicContact CD2-CB 4.29Å; F515-V577 HydrophobicContact CD2-CG1 3.56Å; F515-V577 HydrophobicContact CD2-CG2 3.7Å; F515-V577 HydrophobicContact CE1-CG1 4.23Å; F515-V577 HydrophobicContact CE2-CB 4.39Å; F515-V577 HydrophobicContact CE2-CG1 3.92Å; F515-V577 HydrophobicContact CE2-CG2 3.74Å; F515-V577 HydrophobicContact CG-CG1 3.54Å; F515-V577 HydrophobicContact CZ-CG1 4.24Å; I574-V577 HydrophobicContact CG2-CB 3.66Å; I574-V577 HydrophobicContact CG2-CG1 4.41Å; I574-V577 HydrophobicContact CG2-CG2 3.77Å; R575-V577 WeakPolarHBondContact O-CG2 3.08Å; R575-V577 PolarHBondContact O-N 2.7Å; V577-W579 PolarHBondContact O-N 3.31Å; V577-E581 HydrophobicContact CG1-CB 4.28Å; V577-F582 HydrophobicContact CG1-CB 4.35Å; V577-N604 VanDerWaalsContact O-CA 3.24Å; V577-N604 WeakPolarHBondContact O-CA 3.26Å; V577-N604 WeakPolarHBondContact O-CB 3.46Å; V577-N604 PolarHBondContact O-ND2 3.39Å
578	N	79.5	Confident	83.7	Confident	24 Å²	24	30.8 Å²	30.8	13%	0.128	15%	0.149	C	C	.	.			trans	-60.2	135.9	177.5	-164.2	-51.1	0	0	0	110.4	T299 N580 E581 F582 N604 Q605	T299-N578 HydrophobicContact CG2-CB 4.26Å; N578-N580 PolarHBondContact O-N 3.13Å; N578-N580 VanDerWaalsContact O-N 3.09Å; N578-N580 VanDerWaalsContact OD1-CB 3.27Å; N578-N580 WeakPolarHBondContact OD1-CB 3.4Å; N578-N580 PolarHBondContact OD1-N 2.83Å; N578-N580 PolarHBondContact OD1-OD1 3.16Å; N578-E581 PolarHBondContact O-N 3.2Å; N578-F582 PolarHBondContact O-N 2.73Å; N578-N604 CarbonylContact C-O 3.51Å; N578-Q605 PolarHBondContact ND2-OE1 3.4Å
579	W	80.5	Confident	84	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-48.5	-40.5	176	-172	-96.6	0	0	0	111.7	V577 E581 F582 V583 L601 N604 L606 Q611 D614 L615	V577-W579 PolarHBondContact O-N 3.31Å; W579-E581 PolarHBondContact O-N 2.9Å; W579-F582 HydrophobicContact CD2-CD1 4.33Å; W579-F582 AromaticContact CE3-CD1 3.8Å; W579-F582 HydrophobicContact CE3-CD1 3.8Å; W579-F582 HydrophobicContact CE3-CE1 4.32Å; W579-F582 HydrophobicContact CH2-CD1 4.11Å; W579-F582 AromaticContact CH2-CE1 3.89Å; W579-F582 HydrophobicContact CH2-CE1 3.89Å; W579-F582 AromaticContact CZ3-CD1 3.66Å; W579-F582 HydrophobicContact CZ3-CD1 3.66Å; W579-F582 AromaticContact CZ3-CE1 3.7Å; W579-F582 HydrophobicContact CZ3-CE1 3.7Å; W579-F582 PolarHBondContact O-N 2.84Å; W579-V583 WeakPolarHBondContact O-CB 3.26Å; W579-V583 VanDerWaalsContact O-CG1 3.3Å; W579-V583 WeakPolarHBondContact O-CG1 3.42Å; W579-V583 PolarHBondContact O-N 3.03Å; W579-L601 HydrophobicContact CH2-CD1 4.14Å; W579-L601 HydrophobicContact CZ3-CD1 3.59Å; W579-L601 HydrophobicContact CZ3-CD2 3.9Å; W579-L601 HydrophobicContact CZ3-CG 4.38Å; W579-N604 WeakPolarHBondContact CB-O 3.48Å; W579-N604 HydrophobicContact CE3-CB 4.46Å; W579-N604 PolarHBondContact N-O 2.91Å; W579-L606 HydrophobicContact CB-CD2 4.43Å; W579-L606 HydrophobicContact CD2-CD2 3.4Å; W579-L606 VanDerWaalsContact CD2-CD2 3.4Å; W579-L606 HydrophobicContact CD2-CG 3.93Å; W579-L606 HydrophobicContact CE3-CD1 3.94Å; W579-L606 HydrophobicContact CE3-CD2 3.58Å; W579-L606 HydrophobicContact CE3-CG 3.65Å; W579-L606 HydrophobicContact CG-CD2 3.8Å; W579-L606 HydrophobicContact CG-CG 4.32Å; W579-L606 HydrophobicContact CH2-CD2 4.26Å; W579-L606 HydrophobicContact CZ2-CD2 4.15Å; W579-L606 HydrophobicContact CZ3-CD1 3.95Å; W579-L606 HydrophobicContact CZ3-CD2 4.03Å; W579-L606 HydrophobicContact CZ3-CG 4.16Å; W579-Q611 WeakPolarHBondContact CZ2-O 3.38Å; W579-D614 HydrophobicContact CZ2-CB 4.34Å; W579-D614 PolarHBondContact NE1-OD2 2.86Å; W579-L615 HydrophobicContact CH2-CD1 4.16Å; W579-L615 HydrophobicContact CH2-CD2 3.69Å; W579-L615 HydrophobicContact CH2-CG 3.76Å; W579-L615 HydrophobicContact CZ2-CD2 4.39Å; W579-L615 HydrophobicContact CZ2-CG 4.3Å
580	N	76.2	Confident	84.1	Confident	20 Å²	20	25.2 Å²	25.2	11%	0.107	13%	0.13	C	C	.	.	H	α-helix	trans	-59.9	-26.4	178.2	-74.9	51.3	0	0	0	114.8	Q297 L298 T299 N578 N584	Q297-N580 HydrophobicContact CB-CB 3.74Å; Q297-N580 WeakPolarHBondContact CB-ND2 3.3Å; Q297-N580 WeakPolarHBondContact O-CB 3.27Å; Q297-N580 PolarHBondContact O-ND2 3.13Å; Q297-N580 VanDerWaalsContact O-ND2 3.14Å; Q297-N580 PolarHBondContact OE1-OD1 2.91Å; L298-N580 PolarHBondContact O-ND2 3.3Å; T299-N580 HydrophobicContact CG2-CB 3.32Å; T299-N580 PolarHBondContact N-ND2 3.46Å; N578-N580 PolarHBondContact O-N 3.13Å; N578-N580 VanDerWaalsContact O-N 3.09Å; N578-N580 VanDerWaalsContact OD1-CB 3.27Å; N578-N580 WeakPolarHBondContact OD1-CB 3.4Å; N578-N580 PolarHBondContact OD1-N 2.83Å; N578-N580 PolarHBondContact OD1-OD1 3.16Å; N580-N584 PolarHBondContact O-ND2 2.93Å; N580-N584 PolarHBondContact O-OD1 3.48Å
581	E	77.1	Confident	84	Confident	43 Å²	43	29.6 Å²	29.6	20%	0.201	15%	0.147	C	C	.	.	H	α-helix	trans	-95.3	-32.7	175.6	-70.4	-179.3	-145.5	0	0	111.4	T299 F453 F515 V577 N578 W579 C585	T299-E581 HydrophobicContact CG2-CG 4.47Å; F453-E581 WeakPolarHBondContact CZ-OE2 3.28Å; F515-E581 HydrophobicContact CB-CB 4.22Å; V577-E581 HydrophobicContact CG1-CB 4.28Å; N578-E581 PolarHBondContact O-N 3.2Å; W579-E581 PolarHBondContact O-N 2.9Å; E581-C585 PolarHBondContact O-SG 3.48Å; E581-C585 VanDerWaalsContact O-SG 3.38Å
582	F	83	Confident	83.8	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.3	-47.4	175.7	170.4	-111.7	0	0	0	112.4	F515 I574 V577 N578 W579 N584 C585 I586 L589 L599 L601 L615 F618	F515-F582 HydrophobicContact CE1-CB 4.48Å; F515-F582 HydrophobicContact CE1-CD2 4.28Å; F515-F582 HydrophobicContact CZ-CD2 4.33Å; I574-F582 HydrophobicContact CD1-CD2 4.21Å; I574-F582 HydrophobicContact CD1-CE2 4.07Å; I574-F582 HydrophobicContact CG1-CD2 3.92Å; I574-F582 HydrophobicContact CG1-CE2 3.67Å; I574-F582 HydrophobicContact CG1-CZ 4.36Å; I574-F582 HydrophobicContact CG2-CD2 4.04Å; I574-F582 HydrophobicContact CG2-CG 4.38Å; V577-F582 HydrophobicContact CG1-CB 4.35Å; N578-F582 PolarHBondContact O-N 2.73Å; W579-F582 HydrophobicContact CD2-CD1 4.33Å; W579-F582 AromaticContact CE3-CD1 3.8Å; W579-F582 HydrophobicContact CE3-CD1 3.8Å; W579-F582 HydrophobicContact CE3-CE1 4.32Å; W579-F582 HydrophobicContact CH2-CD1 4.11Å; W579-F582 AromaticContact CH2-CE1 3.89Å; W579-F582 HydrophobicContact CH2-CE1 3.89Å; W579-F582 AromaticContact CZ3-CD1 3.66Å; W579-F582 HydrophobicContact CZ3-CD1 3.66Å; W579-F582 AromaticContact CZ3-CE1 3.7Å; W579-F582 HydrophobicContact CZ3-CE1 3.7Å; W579-F582 PolarHBondContact O-N 2.84Å; F582-N584 VanDerWaalsContact C-N 3.29Å; F582-N584 PolarHBondContact O-N 3.38Å; F582-C585 CarbonylContact O-C 3.4Å; F582-C585 WeakPolarHBondContact O-CA 3.34Å; F582-C585 WeakPolarHBondContact O-CB 3.37Å; F582-C585 PolarHBondContact O-N 2.81Å; F582-I586 HydrophobicContact CD1-CD1 4.29Å; F582-I586 HydrophobicContact CD1-CG1 4.29Å; F582-I586 HydrophobicContact CE1-CD1 3.83Å; F582-I586 HydrophobicContact CE1-CG1 3.85Å; F582-I586 HydrophobicContact CE2-CG1 4.39Å; F582-I586 HydrophobicContact CZ-CD1 4.33Å; F582-I586 HydrophobicContact CZ-CG1 3.91Å; F582-I586 PolarHBondContact O-N 2.85Å; F582-L589 HydrophobicContact CD2-CD1 3.99Å; F582-L589 HydrophobicContact CE2-CD1 3.71Å; F582-L599 HydrophobicContact CZ-CD1 4.41Å; F582-L599 HydrophobicContact CZ-CD2 4.22Å; F582-L601 HydrophobicContact CE1-CD2 4.2Å; F582-L601 HydrophobicContact CZ-CD2 4.5Å; F582-L615 HydrophobicContact CE1-CD2 4.02Å; F582-L615 HydrophobicContact CZ-CD2 4.42Å; F582-F618 HydrophobicContact CZ-CE2 4Å; F582-F618 HydrophobicContact CZ-CZ 4.16Å
583	V	82.4	Confident	83.6	Confident	23 Å²	23	27.5 Å²	27.5	14%	0.139	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-58.9	-39.6	-176.5	70.7	0	0	0	0	112.3	Q297 W579 C585 I586 D614	Q297-V583 HydrophobicContact CB-CG1 4.29Å; Q297-V583 HydrophobicContact CG-CG1 3.76Å; W579-V583 WeakPolarHBondContact O-CB 3.26Å; W579-V583 VanDerWaalsContact O-CG1 3.3Å; W579-V583 WeakPolarHBondContact O-CG1 3.42Å; W579-V583 PolarHBondContact O-N 3.03Å; V583-C585 PolarHBondContact O-N 3.45Å; V583-I586 HydrophobicContact CB-CD1 4.33Å; V583-I586 HydrophobicContact CG2-CD1 4.02Å; V583-I586 WeakPolarHBondContact O-CB 3.45Å; V583-I586 PolarHBondContact O-N 3.42Å; V583-I586 VanDerWaalsContact O-N 3.09Å; V583-D614 HydrophobicContact CG2-CB 3.58Å
584	N	82	Confident	83.3	Confident	33 Å²	33	29.6 Å²	29.6	18%	0.176	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-64.5	-11.9	177	-45.6	-11.2	0	0	0	112.9	Q296 Q297 N580 F582	Q296-N584 WeakPolarHBondContact CA-OD1 3.37Å; Q296-N584 VanDerWaalsContact CB-ND2 3.33Å; Q296-N584 WeakPolarHBondContact CB-ND2 3.08Å; Q296-N584 VanDerWaalsContact CD-ND2 3.28Å; Q296-N584 HydrophobicContact CG-CB 3.95Å; Q296-N584 WeakPolarHBondContact CG-ND2 3.38Å; Q296-N584 PolarHBondContact OE1-ND2 3.01Å; Q297-N584 PolarHBondContact N-OD1 3.46Å; Q297-N584 VanDerWaalsContact N-OD1 3.15Å; N580-N584 PolarHBondContact O-ND2 2.93Å; N580-N584 PolarHBondContact O-OD1 3.48Å; F582-N584 VanDerWaalsContact C-N 3.29Å; F582-N584 PolarHBondContact O-N 3.38Å
585	C	85.2	Confident	83.1	Confident	3 Å²	3	34.9 Å²	34.9	2%	0.02	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-114.8	-0.6	-179.8	-57.9	0	0	0	0	112.8	F515 V519 E581 F582 V583 S587 K588 L589	F515-C585 HydrophobicContact CD1-CB 4.29Å; F515-C585 HydrophobicContact CE1-CB 3.87Å; V519-C585 HydrophobicContact CG1-CB 4.36Å; V519-C585 HydrophobicContact CG2-CB 4.09Å; E581-C585 PolarHBondContact O-SG 3.48Å; E581-C585 VanDerWaalsContact O-SG 3.38Å; F582-C585 CarbonylContact O-C 3.4Å; F582-C585 WeakPolarHBondContact O-CA 3.34Å; F582-C585 WeakPolarHBondContact O-CB 3.37Å; F582-C585 PolarHBondContact O-N 2.81Å; V583-C585 PolarHBondContact O-N 3.45Å; C585-S587 PolarHBondContact O-N 3Å; C585-K588 PolarHBondContact O-N 3.49Å; C585-L589 HydrophobicContact CB-CD1 4.18Å; C585-L589 HydrophobicContact CB-CG 4.47Å; C585-L589 WeakPolarHBondContact O-CB 3.47Å; C585-L589 WeakPolarHBondContact O-CG 3.34Å; C585-L589 PolarHBondContact O-N 3.32Å
586	I	85.9	Confident	83.2	Confident	3 Å²	3	32.3 Å²	32.3	2%	0.015	17%	0.167	C	C	.	.	H	α-helix	trans	-56.4	-51.6	-176.6	-79.2	176.9	0	0	0	111.4	F582 V583 K588 L589 H590 D614 L615 D617 F618	F582-I586 HydrophobicContact CD1-CD1 4.29Å; F582-I586 HydrophobicContact CD1-CG1 4.29Å; F582-I586 HydrophobicContact CE1-CD1 3.83Å; F582-I586 HydrophobicContact CE1-CG1 3.85Å; F582-I586 HydrophobicContact CE2-CG1 4.39Å; F582-I586 HydrophobicContact CZ-CD1 4.33Å; F582-I586 HydrophobicContact CZ-CG1 3.91Å; F582-I586 PolarHBondContact O-N 2.85Å; V583-I586 HydrophobicContact CB-CD1 4.33Å; V583-I586 HydrophobicContact CG2-CD1 4.02Å; V583-I586 WeakPolarHBondContact O-CB 3.45Å; V583-I586 PolarHBondContact O-N 3.42Å; V583-I586 VanDerWaalsContact O-N 3.09Å; I586-K588 VanDerWaalsContact C-N 3.3Å; I586-K588 PolarHBondContact O-N 2.85Å; I586-L589 CarbonylContact O-C 3.58Å; I586-L589 PolarHBondContact O-N 2.79Å; I586-L589 VanDerWaalsContact O-N 3.1Å; I586-H590 PolarHBondContact O-N 3.29Å; I586-D614 HydrophobicContact CD1-CB 4.49Å; I586-L615 HydrophobicContact CD1-CD2 4.14Å; I586-D617 HydrophobicContact CG2-CB 3.88Å; I586-F618 HydrophobicContact CB-CE2 4.21Å; I586-F618 HydrophobicContact CB-CZ 4.27Å; I586-F618 HydrophobicContact CD1-CE2 4.16Å; I586-F618 HydrophobicContact CG1-CE2 3.8Å; I586-F618 HydrophobicContact CG1-CZ 4.09Å; I586-F618 HydrophobicContact CG2-CD2 4.11Å; I586-F618 HydrophobicContact CG2-CE2 3.65Å; I586-F618 HydrophobicContact CG2-CZ 3.9Å
587	S	84.2	Confident	83.6	Confident	69 Å²	69	35.3 Å²	35.3	48%	0.483	18%	0.18	S	C	.	.	H	α-helix	trans	-61.1	-39.7	-179	-35	0	0	0	0	111.9	C585 H590 E591	C585-S587 PolarHBondContact O-N 3Å; S587-H590 PolarHBondContact O-N 3.46Å; S587-E591 WeakPolarHBondContact O-CG 3.42Å; S587-E591 PolarHBondContact O-N 3.24Å
588	K	86.4	Confident	84.3	Confident	76 Å²	76	37.6 Å²	37.6	33%	0.33	19%	0.191	S	C	.	.	H	α-helix	trans	-66.1	-37.6	175.1	-71.5	-177.3	169.2	-177.1	0	113	V519 N520 C585 I586 L592	V519-K588 HydrophobicContact CG1-CB 3.87Å; V519-K588 HydrophobicContact CG1-CD 4.27Å; N520-K588 PolarHBondContact OD1-NZ 3.06Å; C585-K588 PolarHBondContact O-N 3.49Å; I586-K588 VanDerWaalsContact C-N 3.3Å; I586-K588 PolarHBondContact O-N 2.85Å; K588-L592 VanDerWaalsContact O-CB 3.27Å; K588-L592 WeakPolarHBondContact O-CB 3.45Å; K588-L592 PolarHBondContact O-N 2.99Å
589	L	86.8	Confident	84.9	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-73.9	-32	177.1	-73.2	169.1	0	0	0	111.6	L465 F515 V519 F582 C585 I586 L592 L593 F618	L465-L589 HydrophobicContact CD1-CD2 4.08Å; F515-L589 HydrophobicContact CE1-CD1 4.32Å; F515-L589 HydrophobicContact CZ-CD1 4.23Å; V519-L589 HydrophobicContact CG1-CD2 4.24Å; V519-L589 HydrophobicContact CG1-CG 4.3Å; V519-L589 HydrophobicContact CG2-CD2 4.15Å; V519-L589 HydrophobicContact CG2-CG 4.39Å; F582-L589 HydrophobicContact CD2-CD1 3.99Å; F582-L589 HydrophobicContact CE2-CD1 3.71Å; C585-L589 HydrophobicContact CB-CD1 4.18Å; C585-L589 HydrophobicContact CB-CG 4.47Å; C585-L589 WeakPolarHBondContact O-CB 3.47Å; C585-L589 WeakPolarHBondContact O-CG 3.34Å; C585-L589 PolarHBondContact O-N 3.32Å; I586-L589 CarbonylContact O-C 3.58Å; I586-L589 PolarHBondContact O-N 2.79Å; I586-L589 VanDerWaalsContact O-N 3.1Å; L589-L592 HydrophobicContact CD2-CD2 4.12Å; L589-L592 PolarHBondContact O-N 2.92Å; L589-L593 HydrophobicContact CD2-CD1 4.43Å; L589-L593 VanDerWaalsContact O-CB 3.23Å; L589-L593 WeakPolarHBondContact O-CB 3.42Å; L589-L593 VanDerWaalsContact O-CG 3.32Å; L589-L593 WeakPolarHBondContact O-CG 3.19Å; L589-L593 PolarHBondContact O-N 2.9Å; L589-F618 HydrophobicContact CB-CE1 4.39Å; L589-F618 HydrophobicContact CB-CZ 4.4Å
590	H	85.9	Confident	85.3	Confident	48 Å²	48	37.5 Å²	37.5	22%	0.222	19%	0.19	C	C	.	.	H	α-helix	trans	-66.8	-44.4	171.6	-174.2	-132	0	0	0	111.5	I586 S587 L592 L593 D617 F618	I586-H590 PolarHBondContact O-N 3.29Å; S587-H590 PolarHBondContact O-N 3.46Å; H590-L592 VanDerWaalsContact C-N 3.35Å; H590-L592 PolarHBondContact O-N 2.97Å; H590-L593 CarbonylContact O-C 3.59Å; H590-L593 PolarHBondContact O-N 3.14Å; H590-D617 PolarHBondContact CE1-O 3.45Å; H590-D617 VanDerWaalsContact CE1-O 3.25Å; H590-D617 PolarHBondContact ND1-O 3.19Å; H590-F618 HydrophobicContact CB-CD1 4.06Å; H590-F618 HydrophobicContact CB-CE1 4.09Å
591	E	85.5	Confident	85.9	Confident	137 Å²	137	36.6 Å²	36.6	64%	0.64	19%	0.185	S	C	*	.	H	α-helix	trans	-60.6	-40.5	171.6	-72.5	176.6	161	0	0	112.7	S587	S587-E591 WeakPolarHBondContact O-CG 3.42Å; S587-E591 PolarHBondContact O-N 3.24Å
592	L	85.5	Confident	86.3	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-69.5	-35	178.6	-171.4	88.4	0	0	0	112.1	L522 Q523 Q526 F566 K588 L589 H590 P594	L522-L592 HydrophobicContact CB-CD1 4.07Å; L522-L592 HydrophobicContact CB-CD2 3.99Å; L522-L592 HydrophobicContact CD1-CD2 4.15Å; Q523-L592 HydrophobicContact CG-CD1 3.97Å; Q526-L592 HydrophobicContact CB-CD1 4.38Å; F566-L592 HydrophobicContact CB-CG 4.49Å; F566-L592 WeakPolarHBondContact CB-O 3.39Å; F566-L592 HydrophobicContact CD1-CD1 4.06Å; F566-L592 HydrophobicContact CD1-CD2 3.92Å; F566-L592 HydrophobicContact CD1-CG 3.84Å; F566-L592 HydrophobicContact CE1-CD1 4.26Å; F566-L592 HydrophobicContact CE1-CD2 4.11Å; F566-L592 HydrophobicContact CE1-CG 4.35Å; F566-L592 HydrophobicContact CG-CD1 4.29Å; F566-L592 HydrophobicContact CG-CG 4.26Å; K588-L592 VanDerWaalsContact O-CB 3.27Å; K588-L592 WeakPolarHBondContact O-CB 3.45Å; K588-L592 PolarHBondContact O-N 2.99Å; L589-L592 HydrophobicContact CD2-CD2 4.12Å; L589-L592 PolarHBondContact O-N 2.92Å; H590-L592 VanDerWaalsContact C-N 3.35Å; H590-L592 PolarHBondContact O-N 2.97Å; L592-P594 VanDerWaalsContact C-CD 3.44Å; L592-P594 WeakPolarHBondContact O-CD 3.49Å
593	L	87.7	Confident	86.2	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.19	C	C	.	.			trans	-126.5	61.7	-167.1	-48.9	173.2	0	0	0	112.3	L463 F566 I569 L572 L589 H590 Q595 L596	L463-L593 HydrophobicContact CD2-CD1 4.4Å; L463-L593 HydrophobicContact CD2-CD2 4.27Å; F566-L593 HydrophobicContact CB-CD2 4.4Å; F566-L593 HydrophobicContact CD1-CD2 4.17Å; I569-L593 HydrophobicContact CB-CD2 3.85Å; I569-L593 HydrophobicContact CD1-CD2 3.6Å; I569-L593 HydrophobicContact CG1-CD2 4.33Å; I569-L593 HydrophobicContact CG2-CD2 3.93Å; L572-L593 HydrophobicContact CD1-CD1 3.97Å; L572-L593 HydrophobicContact CD2-CD1 3.76Å; L572-L593 HydrophobicContact CG-CD1 4.31Å; L589-L593 HydrophobicContact CD2-CD1 4.43Å; L589-L593 VanDerWaalsContact O-CB 3.23Å; L589-L593 WeakPolarHBondContact O-CB 3.42Å; L589-L593 VanDerWaalsContact O-CG 3.32Å; L589-L593 WeakPolarHBondContact O-CG 3.19Å; L589-L593 PolarHBondContact O-N 2.9Å; H590-L593 CarbonylContact O-C 3.59Å; H590-L593 PolarHBondContact O-N 3.14Å; L593-Q595 PolarHBondContact O-N 3.08Å; L593-L596 HydrophobicContact CB-CB 4.27Å; L593-L596 WeakPolarHBondContact O-CB 3.25Å; L593-L596 PolarHBondContact O-N 2.9Å
594	P	82.4	Confident	86.2	Confident	46 Å²	46	36.4 Å²	36.4	30%	0.299	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	7.6	-171.5	30.9	-38.7	0	0	0	115.2	L592	L592-P594 VanDerWaalsContact C-CD 3.44Å; L592-P594 WeakPolarHBondContact O-CD 3.49Å
595	Q	83.9	Confident	85.9	Confident	110 Å²	110	36.8 Å²	36.8	51%	0.514	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.4	21.2	178	-61.7	-70.3	-96.1	0	0	111.9	N567 V570 L593 E597	N567-Q595 WeakPolarHBondContact O-CG 3.31Å; V570-Q595 WeakPolarHBondContact CA-O 3.3Å; L593-Q595 PolarHBondContact O-N 3.08Å; Q595-E597 PolarHBondContact O-N 2.9Å
596	L	88.5	Confident	85.4	Confident	6 Å²	6	36.7 Å²	36.7	3%	0.031	18%	0.183	C	C	.	.			trans	-70.6	110.4	-178.7	-179.3	61.9	0	0	0	112	L572 L593 E598 F618 Y620 L621	L572-L596 HydrophobicContact CB-CD1 3.54Å; L572-L596 HydrophobicContact CB-CD2 4.14Å; L572-L596 HydrophobicContact CD2-CD2 4Å; L593-L596 HydrophobicContact CB-CB 4.27Å; L593-L596 WeakPolarHBondContact O-CB 3.25Å; L593-L596 PolarHBondContact O-N 2.9Å; L596-E598 WeakPolarHBondContact CD1-O 3.34Å; L596-F618 HydrophobicContact CD2-CD1 3.91Å; L596-F618 HydrophobicContact CD2-CE1 3.83Å; L596-Y620 CarbonylContact O-C 3.59Å; L596-L621 HydrophobicContact CG-CD1 4.47Å
597	E	89.7	Confident	84.7	Confident	100 Å²	100	40.2 Å²	40.2	47%	0.467	20%	0.199	S	C	.	.			trans	-101.2	-31.7	177.5	-65.5	176.9	-177.2	0	0	113.1	V570 Q595 T622 A623	V570-E597 HydrophobicContact CG1-CB 3.71Å; V570-E597 HydrophobicContact CG1-CG 3.77Å; V570-E597 PolarHBondContact O-N 2.88Å; Q595-E597 PolarHBondContact O-N 2.9Å; E597-T622 PolarHBondContact O-N 2.84Å; E597-T622 PolarHBondContact O-OG1 2.78Å; E597-A623 PolarHBondContact O-N 3.13Å
598	E	91.3	Very high	84.1	Confident	48 Å²	48	39.7 Å²	39.7	22%	0.224	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.6	-176.9	-171	179.9	171.7	0	0	113.1	V570 K571 L572 L596 N600 A623 H625	V570-E598 PolarHBondContact O-N 3.22Å; K571-E598 WeakPolarHBondContact CA-O 3.36Å; K571-E598 HydrophobicContact CB-CB 4.44Å; K571-E598 HydrophobicContact CD-CB 4.29Å; K571-E598 HydrophobicContact CD-CG 4.23Å; K571-E598 VanDerWaalsContact CD-OE2 3.26Å; K571-E598 WeakPolarHBondContact CD-OE2 3.18Å; K571-E598 VanDerWaalsContact CE-OE1 3.27Å; K571-E598 WeakPolarHBondContact CE-OE1 3.23Å; K571-E598 VanDerWaalsContact CE-OE2 3.23Å; K571-E598 WeakPolarHBondContact CE-OE2 3.31Å; K571-E598 HydrophobicContact CG-CB 4.15Å; K571-E598 HydrophobicContact CG-CG 4.38Å; K571-E598 IonicContact NZ-OE1 2.82Å; K571-E598 PolarHBondContact NZ-OE1 2.84Å; K571-E598 IonicContact NZ-OE2 3.62Å; K571-E598 PolarHBondContact NZ-OE2 3.31Å; L572-E598 PolarHBondContact N-O 3.49Å; L596-E598 WeakPolarHBondContact CD1-O 3.34Å; E598-N600 PolarHBondContact OE1-OD1 2.92Å; E598-A623 WeakPolarHBondContact CA-O 3.49Å; E598-A623 HydrophobicContact CB-CB 4.06Å; E598-A623 HydrophobicContact CG-CB 3.82Å; E598-H625 IonicContact OE1-CD2 3.87Å; E598-H625 IonicContact OE1-CE1 2.61Å; E598-H625 IonicContact OE1-NE2 2.97Å; E598-H625 PolarHBondContact OE1-NE2 3.27Å
599	L	92.4	Very high	83.5	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122.6	177.7	178	61.9	0	0	0	111.2	L572 I574 F582 L601 L615 F618 L621 A623 L624 H625	L572-L599 HydrophobicContact CB-CD1 4.13Å; L572-L599 HydrophobicContact CD2-CD1 4.02Å; L572-L599 HydrophobicContact CG-CD1 4.13Å; L572-L599 WeakPolarHBondContact O-CA 3.44Å; I574-L599 HydrophobicContact CG1-CD1 4.15Å; F582-L599 HydrophobicContact CZ-CD1 4.41Å; F582-L599 HydrophobicContact CZ-CD2 4.22Å; L599-L601 HydrophobicContact CD1-CD2 4.23Å; L599-L601 HydrophobicContact CD2-CD1 4.49Å; L599-L601 HydrophobicContact CD2-CD2 4.29Å; L599-L601 HydrophobicContact CD2-CG 4.42Å; L599-L601 HydrophobicContact CG-CD2 4.17Å; L599-L601 HydrophobicContact CG-CG 4.16Å; L599-L615 HydrophobicContact CD2-CD1 4.27Å; L599-L615 HydrophobicContact CD2-CD2 3.61Å; L599-F618 HydrophobicContact CD2-CE2 4.29Å; L599-L621 HydrophobicContact CB-CD1 3.49Å; L599-L621 VanDerWaalsContact CB-CD1 3.49Å; L599-L621 HydrophobicContact CB-CD2 4.12Å; L599-L621 HydrophobicContact CB-CG 4.44Å; L599-L621 HydrophobicContact CD2-CD2 4.25Å; L599-A623 PolarHBondContact N-O 2.85Å; L599-L624 HydrophobicContact CB-CD1 4.2Å; L599-L624 HydrophobicContact CD2-CD1 4.16Å; L599-L624 HydrophobicContact CG-CD1 4.21Å; L599-H625 PolarHBondContact O-N 2.86Å
600	N	89.8	Confident	83	Confident	21 Å²	21	40.2 Å²	40.2	11%	0.112	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	117.8	178.1	-76.6	29.6	0	0	0	110.7	L572 T573 I574 E598 H625	L572-N600 PolarHBondContact O-N 2.93Å; T573-N600 WeakPolarHBondContact CA-O 3.49Å; T573-N600 HydrophobicContact CG2-CB 4.4Å; T573-N600 WeakPolarHBondContact OG1-CB 3.28Å; I574-N600 PolarHBondContact N-O 3.02Å; E598-N600 PolarHBondContact OE1-OD1 2.92Å; N600-H625 HydrophobicContact CB-CB 4.5Å
601	L	88.5	Confident	82.6	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	97.3	-178.5	-64.8	174.2	0	0	0	109.5	I574 W579 F582 L599 N604 L606 L615 L624 H625 I626 T627 N632	I574-L601 HydrophobicContact CB-CD2 4.33Å; W579-L601 HydrophobicContact CH2-CD1 4.14Å; W579-L601 HydrophobicContact CZ3-CD1 3.59Å; W579-L601 HydrophobicContact CZ3-CD2 3.9Å; W579-L601 HydrophobicContact CZ3-CG 4.38Å; F582-L601 HydrophobicContact CE1-CD2 4.2Å; F582-L601 HydrophobicContact CZ-CD2 4.5Å; L599-L601 HydrophobicContact CD1-CD2 4.23Å; L599-L601 HydrophobicContact CD2-CD1 4.49Å; L599-L601 HydrophobicContact CD2-CD2 4.29Å; L599-L601 HydrophobicContact CD2-CG 4.42Å; L599-L601 HydrophobicContact CG-CD2 4.17Å; L599-L601 HydrophobicContact CG-CG 4.16Å; L601-N604 WeakPolarHBondContact CA-OD1 3.37Å; L601-N604 WeakPolarHBondContact CB-OD1 3.41Å; L601-L606 HydrophobicContact CD1-CD1 4.19Å; L601-L615 HydrophobicContact CD1-CD1 4.35Å; L601-L624 HydrophobicContact CD1-CD1 3.87Å; L601-L624 HydrophobicContact CG-CD1 4.43Å; L601-H625 WeakPolarHBondContact CB-O 3.36Å; L601-H625 PolarHBondContact N-O 3.1Å; L601-I626 HydrophobicContact CB-CG1 4.45Å; L601-I626 HydrophobicContact CD1-CD1 4.4Å; L601-I626 HydrophobicContact CD1-CG1 4.13Å; L601-T627 PolarHBondContact O-N 2.79Å; L601-T627 PolarHBondContact O-OG1 3.44Å; L601-N632 PolarHBondContact O-ND2 3.11Å; L601-N632 VanDerWaalsContact O-ND2 3.08Å
602	E	85.5	Confident	82.3	Confident	36 Å²	36	31.7 Å²	31.7	17%	0.168	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	106	-175.5	-67.8	174	-146.5	0	0	110.6	T573 I574 R575 N576 N604 T627	T573-E602 HydrophobicContact CG2-CG 4.29Å; T573-E602 VanDerWaalsContact CG2-OE1 3.29Å; T573-E602 WeakPolarHBondContact CG2-OE1 3.32Å; I574-E602 PolarHBondContact O-N 2.9Å; R575-E602 CarbonylContact C-O 3.57Å; R575-E602 VanDerWaalsContact CA-O 3.22Å; R575-E602 WeakPolarHBondContact CA-O 3.4Å; R575-E602 HydrophobicContact CB-CB 4.05Å; R575-E602 HydrophobicContact CG-CB 3.84Å; R575-E602 IonicContact CZ-OE2 2.74Å; R575-E602 IonicContact NE-OE2 2.75Å; R575-E602 PolarHBondContact NE-OE2 2.65Å; R575-E602 IonicContact NH2-OE2 3.13Å; R575-E602 PolarHBondContact NH2-OE2 3.12Å; N576-E602 PolarHBondContact N-O 2.78Å; E602-N604 PolarHBondContact N-OD1 2.83Å; E602-T627 WeakPolarHBondContact CA-OG1 3.36Å; E602-T627 HydrophobicContact CG-CG2 3.9Å
603	N	80.8	Confident	82.1	Confident	26 Å²	26	32.4 Å²	32.4	14%	0.139	16%	0.155	C	C	.	.	S	Bend	trans	55.9	60.3	178.6	-176.3	24.7	0	0	0	114.3	L442 N576 G631	L442-N603 WeakPolarHBondContact CD1-ND2 3.27Å; N576-N603 WeakPolarHBondContact CA-O 3.49Å; N576-N603 PolarHBondContact OD1-ND2 3.37Å; N603-G631 WeakPolarHBondContact OD1-CA 3.36Å
604	N	82.3	Confident	81.7	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.16	C	C	.	.			trans	-102.7	5.5	-177.2	-50.5	101.8	0	0	0	114.3	I574 V577 N578 W579 L601 E602 L606 N632	I574-N604 PolarHBondContact O-ND2 2.86Å; V577-N604 VanDerWaalsContact O-CA 3.24Å; V577-N604 WeakPolarHBondContact O-CA 3.26Å; V577-N604 WeakPolarHBondContact O-CB 3.46Å; V577-N604 PolarHBondContact O-ND2 3.39Å; N578-N604 CarbonylContact C-O 3.51Å; W579-N604 WeakPolarHBondContact CB-O 3.48Å; W579-N604 HydrophobicContact CE3-CB 4.46Å; W579-N604 PolarHBondContact N-O 2.91Å; L601-N604 WeakPolarHBondContact CA-OD1 3.37Å; L601-N604 WeakPolarHBondContact CB-OD1 3.41Å; E602-N604 PolarHBondContact N-OD1 2.83Å; N604-L606 VanDerWaalsContact C-N 3.27Å; N604-L606 PolarHBondContact O-N 2.98Å; N604-N632 PolarHBondContact N-OD1 3.16Å; N604-N632 VanDerWaalsContact N-OD1 3.08Å
605	Q	76.1	Confident	81.7	Confident	42 Å²	42	31.1 Å²	31.1	20%	0.196	15%	0.146	C	C	.	.			trans	59.2	33.2	-178.5	-47.7	-167.6	-5.8	0	0	113.8	L442 N578 K607 G631 N632	L442-Q605 PolarHBondContact O-NE2 2.9Å; N578-Q605 PolarHBondContact ND2-OE1 3.4Å; Q605-K607 WeakPolarHBondContact O-CG 3.43Å; Q605-K607 PolarHBondContact O-N 3.32Å; Q605-G631 VanDerWaalsContact CA-O 3.22Å; Q605-G631 WeakPolarHBondContact CA-O 3.21Å; Q605-G631 PolarHBondContact N-O 2.77Å; Q605-N632 PolarHBondContact N-OD1 3.46Å
606	L	74.7	Confident	81.5	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.132	C	C	.	.			trans	-58.5	108.4	171.3	-88.2	164.8	0	0	0	110.9	W579 L601 N604 Q611 V612 I626 N632 P633 I634	W579-L606 HydrophobicContact CB-CD2 4.43Å; W579-L606 HydrophobicContact CD2-CD2 3.4Å; W579-L606 VanDerWaalsContact CD2-CD2 3.4Å; W579-L606 HydrophobicContact CD2-CG 3.93Å; W579-L606 HydrophobicContact CE3-CD1 3.94Å; W579-L606 HydrophobicContact CE3-CD2 3.58Å; W579-L606 HydrophobicContact CE3-CG 3.65Å; W579-L606 HydrophobicContact CG-CD2 3.8Å; W579-L606 HydrophobicContact CG-CG 4.32Å; W579-L606 HydrophobicContact CH2-CD2 4.26Å; W579-L606 HydrophobicContact CZ2-CD2 4.15Å; W579-L606 HydrophobicContact CZ3-CD1 3.95Å; W579-L606 HydrophobicContact CZ3-CD2 4.03Å; W579-L606 HydrophobicContact CZ3-CG 4.16Å; L601-L606 HydrophobicContact CD1-CD1 4.19Å; N604-L606 VanDerWaalsContact C-N 3.27Å; N604-L606 PolarHBondContact O-N 2.98Å; L606-Q611 HydrophobicContact CD2-CB 3.73Å; L606-V612 HydrophobicContact CD1-CG2 4.35Å; L606-V612 HydrophobicContact CD2-CG2 4.02Å; L606-I626 HydrophobicContact CD1-CD1 4.36Å; L606-I626 HydrophobicContact CD1-CG2 4.07Å; L606-N632 HydrophobicContact CB-CB 4.31Å; L606-N632 PolarHBondContact N-OD1 3.48Å; L606-P633 WeakPolarHBondContact O-CD 3.45Å; L606-P633 VanDerWaalsContact O-N 3.12Å; L606-I634 HydrophobicContact CB-CD1 3.92Å; L606-I634 HydrophobicContact CB-CG1 3.91Å; L606-I634 HydrophobicContact CB-CG2 4.48Å; L606-I634 HydrophobicContact CD1-CD1 3.99Å; L606-I634 HydrophobicContact CG-CD1 4.38Å; L606-I634 PolarHBondContact O-N 3.22Å
607	K	70.8	Confident	80.8	Confident	77 Å²	77	31.6 Å²	31.6	34%	0.335	15%	0.152	S	C	.	.			trans	-94.3	-36.8	-175.6	-68.4	176.3	-172.1	174	0	113.1	Q605 I634	Q605-K607 WeakPolarHBondContact O-CG 3.43Å; Q605-K607 PolarHBondContact O-N 3.32Å; K607-I634 VanDerWaalsContact C-CG2 3.45Å
608	Y	71.8	Confident	80.3	Confident	59 Å²	59	27 Å²	27	23%	0.231	13%	0.13	C	C	.	.			trans	-127.4	137.8	-168.1	-45.7	-50.5	0	0	0	112	H610 Q611 I634	Y608-H610 AromaticContact CD2-CE1 3.89Å; Y608-H610 PolarHBondContact O-N 2.95Å; Y608-H610 VanDerWaalsContact O-N 3.13Å; Y608-Q611 HydrophobicContact CD2-CG 4.42Å; Y608-Q611 WeakPolarHBondContact O-CB 3.48Å; Y608-Q611 PolarHBondContact O-N 3.44Å; Y608-I634 VanDerWaalsContact C-CG2 3.46Å
609	L	74.3	Confident	79.3	Confident	34 Å²	34	30.5 Å²	30.5	18%	0.178	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-53.1	-38.9	-178.4	-67.4	-179.2	0	0	0	113.3	Q611 V612 I634 W642 F645	L609-Q611 VanDerWaalsContact C-N 3.26Å; L609-Q611 PolarHBondContact O-N 2.89Å; L609-V612 PolarHBondContact O-N 2.89Å; L609-I634 HydrophobicContact CD2-CB 4.23Å; L609-I634 HydrophobicContact CD2-CG2 4.3Å; L609-W642 HydrophobicContact CD2-CB 3.46Å; L609-W642 VanDerWaalsContact CD2-CB 3.46Å; L609-F645 HydrophobicContact CB-CD1 3.82Å; L609-F645 HydrophobicContact CB-CD2 4.32Å; L609-F645 HydrophobicContact CB-CE1 4.03Å; L609-F645 HydrophobicContact CB-CE2 4.5Å; L609-F645 HydrophobicContact CB-CG 3.98Å; L609-F645 HydrophobicContact CB-CZ 4.36Å; L609-F645 HydrophobicContact CD1-CB 4.18Å; L609-F645 HydrophobicContact CD1-CD2 4.35Å; L609-F645 HydrophobicContact CD1-CG 4.18Å; L609-F645 HydrophobicContact CD2-CB 4.45Å; L609-F645 WeakPolarHBondContact O-CE1 3.3Å
610	H	74.7	Confident	78.6	Confident	53 Å²	53	36.4 Å²	36.4	25%	0.245	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-66.5	-23.8	-178.4	71.9	-110	0	0	0	113.5	Y608 V612 T613 F697	Y608-H610 AromaticContact CD2-CE1 3.89Å; Y608-H610 PolarHBondContact O-N 2.95Å; Y608-H610 VanDerWaalsContact O-N 3.13Å; H610-V612 PolarHBondContact O-N 3.14Å; H610-T613 WeakPolarHBondContact O-CB 3.22Å; H610-T613 PolarHBondContact O-N 3.47Å; H610-T613 PolarHBondContact O-OG1 2.96Å; H610-F697 HydrophobicContact CB-CE2 4.35Å
611	Q	77.7	Confident	78.3	Confident	6 Å²	6	35.4 Å²	35.4	3%	0.028	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-60.4	-32.8	177.9	-73.4	178.9	-66.1	0	0	111.2	W579 L606 Y608 L609 T613 D614	W579-Q611 WeakPolarHBondContact CZ2-O 3.38Å; L606-Q611 HydrophobicContact CD2-CB 3.73Å; Y608-Q611 HydrophobicContact CD2-CG 4.42Å; Y608-Q611 WeakPolarHBondContact O-CB 3.48Å; Y608-Q611 PolarHBondContact O-N 3.44Å; L609-Q611 VanDerWaalsContact C-N 3.26Å; L609-Q611 PolarHBondContact O-N 2.89Å; Q611-T613 PolarHBondContact O-N 3.01Å; Q611-T613 VanDerWaalsContact O-N 3.16Å; Q611-D614 VanDerWaalsContact O-CB 3.27Å; Q611-D614 WeakPolarHBondContact O-CB 3.39Å; Q611-D614 VanDerWaalsContact O-CG 3.26Å; Q611-D614 PolarHBondContact O-N 2.94Å
612	V	80.3	Confident	78.2	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-67.1	-18.1	178.2	-167.4	0	0	0	0	112	L606 L609 H610 D614 L615 L624 I626 I634 I646 L650	L606-V612 HydrophobicContact CD1-CG2 4.35Å; L606-V612 HydrophobicContact CD2-CG2 4.02Å; L609-V612 PolarHBondContact O-N 2.89Å; H610-V612 PolarHBondContact O-N 3.14Å; V612-D614 PolarHBondContact O-N 3.35Å; V612-L615 HydrophobicContact CG1-CD1 3.93Å; V612-L615 WeakPolarHBondContact O-CB 3.37Å; V612-L615 PolarHBondContact O-N 3.3Å; V612-L624 HydrophobicContact CG1-CD2 4.35Å; V612-I626 HydrophobicContact CG1-CD1 4.37Å; V612-I626 HydrophobicContact CG2-CD1 4.47Å; V612-I634 HydrophobicContact CG2-CD1 3.57Å; V612-I646 HydrophobicContact CB-CD1 4.47Å; V612-I646 HydrophobicContact CB-CG1 4.26Å; V612-I646 HydrophobicContact CG1-CD1 3.78Å; V612-I646 HydrophobicContact CG1-CG1 3.77Å; V612-I646 HydrophobicContact CG2-CD1 4.36Å; V612-L650 HydrophobicContact CG1-CD1 3.89Å
613	T	79.9	Confident	78.3	Confident	14 Å²	14	36.3 Å²	36.3	9%	0.086	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-72	-12.4	172.5	71.6	0	0	0	0	113.4	H610 Q611 L615 I616 F645 V704	H610-T613 WeakPolarHBondContact O-CB 3.22Å; H610-T613 PolarHBondContact O-N 3.47Å; H610-T613 PolarHBondContact O-OG1 2.96Å; Q611-T613 PolarHBondContact O-N 3.01Å; Q611-T613 VanDerWaalsContact O-N 3.16Å; T613-L615 PolarHBondContact O-N 2.83Å; T613-I616 WeakPolarHBondContact O-CD1 3.07Å; T613-I616 VanDerWaalsContact O-CG1 3.29Å; T613-I616 WeakPolarHBondContact O-CG1 3.16Å; T613-I616 PolarHBondContact O-N 3.33Å; T613-F645 HydrophobicContact CG2-CE1 3.76Å; T613-F645 HydrophobicContact CG2-CZ 3.96Å; T613-V704 HydrophobicContact CG2-CG2 4.17Å
614	D	79.3	Confident	78.8	Confident	20 Å²	20	35 Å²	35	11%	0.107	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-70	-10.7	171.2	-54.3	-41.6	0	0	0	112.2	Q297 W579 V583 I586 Q611 V612 I616 R700	Q297-D614 PolarHBondContact NE2-OD2 3.1Å; W579-D614 HydrophobicContact CZ2-CB 4.34Å; W579-D614 PolarHBondContact NE1-OD2 2.86Å; V583-D614 HydrophobicContact CG2-CB 3.58Å; I586-D614 HydrophobicContact CD1-CB 4.49Å; Q611-D614 VanDerWaalsContact O-CB 3.27Å; Q611-D614 WeakPolarHBondContact O-CB 3.39Å; Q611-D614 VanDerWaalsContact O-CG 3.26Å; Q611-D614 PolarHBondContact O-N 2.94Å; V612-D614 PolarHBondContact O-N 3.35Å; D614-I616 VanDerWaalsContact C-N 3.29Å; D614-I616 PolarHBondContact O-N 3.44Å; D614-R700 IonicContact OD1-CZ 3.44Å; D614-R700 IonicContact OD1-NH1 3.64Å; D614-R700 PolarHBondContact OD1-NH1 3.48Å
615	L	83.7	Confident	79	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-78.7	-2.9	174.6	-66.8	179.2	0	0	0	114.7	W579 F582 I586 L599 L601 V612 T613 D617 F618 L624 L650	W579-L615 HydrophobicContact CH2-CD1 4.16Å; W579-L615 HydrophobicContact CH2-CD2 3.69Å; W579-L615 HydrophobicContact CH2-CG 3.76Å; W579-L615 HydrophobicContact CZ2-CD2 4.39Å; W579-L615 HydrophobicContact CZ2-CG 4.3Å; F582-L615 HydrophobicContact CE1-CD2 4.02Å; F582-L615 HydrophobicContact CZ-CD2 4.42Å; I586-L615 HydrophobicContact CD1-CD2 4.14Å; L599-L615 HydrophobicContact CD2-CD1 4.27Å; L599-L615 HydrophobicContact CD2-CD2 3.61Å; L601-L615 HydrophobicContact CD1-CD1 4.35Å; V612-L615 HydrophobicContact CG1-CD1 3.93Å; V612-L615 WeakPolarHBondContact O-CB 3.37Å; V612-L615 PolarHBondContact O-N 3.3Å; T613-L615 PolarHBondContact O-N 2.83Å; L615-D617 PolarHBondContact O-N 3.45Å; L615-D617 VanDerWaalsContact O-N 3.1Å; L615-F618 HydrophobicContact CD2-CD2 3.84Å; L615-F618 HydrophobicContact CD2-CE2 3.79Å; L615-F618 PolarHBondContact O-N 2.78Å; L615-F618 VanDerWaalsContact O-N 3.17Å; L615-L624 HydrophobicContact CD1-CD1 3.82Å; L615-L624 HydrophobicContact CD1-CD2 3.8Å; L615-L650 HydrophobicContact CB-CD1 3.94Å; L615-L650 HydrophobicContact CD1-CD1 4.06Å
616	I	79	Confident	79.4	Confident	42 Å²	42	35 Å²	35	22%	0.215	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-59.3	-23.7	-177.1	-72.5	172.3	0	0	0	112.4	T613 D614 F618 L650 L654 V704	T613-I616 WeakPolarHBondContact O-CD1 3.07Å; T613-I616 VanDerWaalsContact O-CG1 3.29Å; T613-I616 WeakPolarHBondContact O-CG1 3.16Å; T613-I616 PolarHBondContact O-N 3.33Å; D614-I616 VanDerWaalsContact C-N 3.29Å; D614-I616 PolarHBondContact O-N 3.44Å; I616-F618 VanDerWaalsContact C-N 3.29Å; I616-F618 PolarHBondContact O-N 2.88Å; I616-L650 HydrophobicContact CD1-CD2 4.29Å; I616-L650 HydrophobicContact CG1-CD2 3.46Å; I616-L650 VanDerWaalsContact CG1-CD2 3.46Å; I616-L654 WeakPolarHBondContact O-CD2 3Å; I616-V704 HydrophobicContact CD1-CG2 3.96Å
617	D	74	Confident	79.3	Confident	85 Å²	85	38 Å²	38	46%	0.455	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-72.4	-12.7	-179.7	-66.9	0.4	0	0	0	114.3	I586 H590 L615 E619	I586-D617 HydrophobicContact CG2-CB 3.88Å; H590-D617 PolarHBondContact CE1-O 3.45Å; H590-D617 VanDerWaalsContact CE1-O 3.25Å; H590-D617 PolarHBondContact ND1-O 3.19Å; L615-D617 PolarHBondContact O-N 3.45Å; L615-D617 VanDerWaalsContact O-N 3.1Å; D617-E619 PolarHBondContact O-N 3.28Å
618	F	79	Confident	78.8	Confident	2 Å²	2	34.8 Å²	34.8	1%	0.009	17%	0.174	C	C	.	.			trans	-88.3	79.2	176.2	-71	-70.2	0	0	0	111.5	F582 I586 L589 H590 L596 L599 L615 I616 Y620 L621 L654	F582-F618 HydrophobicContact CZ-CE2 4Å; F582-F618 HydrophobicContact CZ-CZ 4.16Å; I586-F618 HydrophobicContact CB-CE2 4.21Å; I586-F618 HydrophobicContact CB-CZ 4.27Å; I586-F618 HydrophobicContact CD1-CE2 4.16Å; I586-F618 HydrophobicContact CG1-CE2 3.8Å; I586-F618 HydrophobicContact CG1-CZ 4.09Å; I586-F618 HydrophobicContact CG2-CD2 4.11Å; I586-F618 HydrophobicContact CG2-CE2 3.65Å; I586-F618 HydrophobicContact CG2-CZ 3.9Å; L589-F618 HydrophobicContact CB-CE1 4.39Å; L589-F618 HydrophobicContact CB-CZ 4.4Å; H590-F618 HydrophobicContact CB-CD1 4.06Å; H590-F618 HydrophobicContact CB-CE1 4.09Å; L596-F618 HydrophobicContact CD2-CD1 3.91Å; L596-F618 HydrophobicContact CD2-CE1 3.83Å; L599-F618 HydrophobicContact CD2-CE2 4.29Å; L615-F618 HydrophobicContact CD2-CD2 3.84Å; L615-F618 HydrophobicContact CD2-CE2 3.79Å; L615-F618 PolarHBondContact O-N 2.78Å; L615-F618 VanDerWaalsContact O-N 3.17Å; I616-F618 VanDerWaalsContact C-N 3.29Å; I616-F618 PolarHBondContact O-N 2.88Å; F618-Y620 PolarHBondContact O-N 3.44Å; F618-L621 HydrophobicContact CB-CB 4.09Å; F618-L621 PolarHBondContact O-N 2.9Å; F618-L654 WeakPolarHBondContact O-CD2 3.38Å
619	E	71.1	Confident	77.9	Confident	122 Å²	122	36.9 Å²	36.9	57%	0.57	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-22.1	-166.9	-64.5	-166.7	172	0	0	116.3	D617	D617-E619 PolarHBondContact O-N 3.28Å
620	Y	77.3	Confident	76.9	Confident	125 Å²	125	40.6 Å²	40.6	49%	0.49	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	11.4	-173.9	-55	-54.9	0	0	0	115.2	L596 F618 T622	L596-Y620 CarbonylContact O-C 3.59Å; F618-Y620 PolarHBondContact O-N 3.44Å; Y620-T622 WeakPolarHBondContact O-CG2 3.34Å; Y620-T622 PolarHBondContact O-N 3.47Å
621	L	84.3	Confident	76.2	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.214	C	C	.	.			trans	-73.6	94.8	-172.2	-170.6	71.6	0	0	0	113.7	L596 L599 F618 A623 L624 L654 L656	L596-L621 HydrophobicContact CG-CD1 4.47Å; L599-L621 HydrophobicContact CB-CD1 3.49Å; L599-L621 VanDerWaalsContact CB-CD1 3.49Å; L599-L621 HydrophobicContact CB-CD2 4.12Å; L599-L621 HydrophobicContact CB-CG 4.44Å; L599-L621 HydrophobicContact CD2-CD2 4.25Å; F618-L621 HydrophobicContact CB-CB 4.09Å; F618-L621 PolarHBondContact O-N 2.9Å; L621-A623 WeakPolarHBondContact CD1-O 3.49Å; L621-L624 HydrophobicContact CD2-CD1 4.36Å; L621-L654 HydrophobicContact CB-CB 4.47Å; L621-L654 HydrophobicContact CB-CD1 4.13Å; L621-L654 HydrophobicContact CD2-CD1 4.05Å; L621-L656 WeakPolarHBondContact O-CD1 3.1Å
622	T	85.4	Confident	76.1	Confident	47 Å²	47	38.7 Å²	38.7	29%	0.288	21%	0.213	S	C	.	.			trans	-83.6	-18.9	-179.2	75.1	0	0	0	0	114.5	E597 Y620 T657 F658	E597-T622 PolarHBondContact O-N 2.84Å; E597-T622 PolarHBondContact O-OG1 2.78Å; Y620-T622 WeakPolarHBondContact O-CG2 3.34Å; Y620-T622 PolarHBondContact O-N 3.47Å; T622-T657 PolarHBondContact O-N 3.21Å; T622-T657 PolarHBondContact O-OG1 2.82Å; T622-F658 PolarHBondContact O-N 3.41Å; T622-F658 VanDerWaalsContact O-N 3.16Å
623	A	88.7	Confident	75.7	Confident	8 Å²	8	40.3 Å²	40.3	7%	0.066	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	133.9	-179.2	0	0	0	0	0	112.9	E597 E598 L599 L621 F658	E597-A623 PolarHBondContact O-N 3.13Å; E598-A623 WeakPolarHBondContact CA-O 3.49Å; E598-A623 HydrophobicContact CB-CB 4.06Å; E598-A623 HydrophobicContact CG-CB 3.82Å; L599-A623 PolarHBondContact N-O 2.85Å; L621-A623 WeakPolarHBondContact CD1-O 3.49Å; A623-F658 WeakPolarHBondContact CA-O 3.24Å; A623-F658 HydrophobicContact CB-CB 4.05Å
624	L	90.1	Very high	75.5	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	131	-179	179.1	61.7	0	0	0	110.6	L599 L601 V612 L615 L621 I626 I646 L650 L656 F658 L659 D660	L599-L624 HydrophobicContact CB-CD1 4.2Å; L599-L624 HydrophobicContact CD2-CD1 4.16Å; L599-L624 HydrophobicContact CG-CD1 4.21Å; L601-L624 HydrophobicContact CD1-CD1 3.87Å; L601-L624 HydrophobicContact CG-CD1 4.43Å; V612-L624 HydrophobicContact CG1-CD2 4.35Å; L615-L624 HydrophobicContact CD1-CD1 3.82Å; L615-L624 HydrophobicContact CD1-CD2 3.8Å; L621-L624 HydrophobicContact CD2-CD1 4.36Å; L624-I626 HydrophobicContact CD1-CG1 4.42Å; L624-I626 HydrophobicContact CD2-CD1 4.3Å; L624-I626 HydrophobicContact CG-CD1 4.44Å; L624-I626 HydrophobicContact CG-CG1 4.21Å; L624-I646 HydrophobicContact CD2-CG2 4.12Å; L624-L650 HydrophobicContact CD2-CD1 4.06Å; L624-L656 HydrophobicContact CB-CD1 3.76Å; L624-L656 HydrophobicContact CB-CD2 4.2Å; L624-L656 HydrophobicContact CD2-CD2 4.5Å; L624-F658 PolarHBondContact N-O 2.91Å; L624-L659 HydrophobicContact CB-CD1 4.13Å; L624-L659 HydrophobicContact CD2-CD1 4.2Å; L624-L659 HydrophobicContact CG-CD1 4.1Å; L624-L659 CarbonylContact O-C 3.55Å; L624-L659 VanDerWaalsContact O-CA 3.26Å; L624-L659 WeakPolarHBondContact O-CA 3.15Å; L624-L659 WeakPolarHBondContact O-CD1 3.49Å; L624-D660 PolarHBondContact O-N 2.78Å
625	H	87.6	Confident	75.2	Confident	41 Å²	41	40 Å²	40	19%	0.19	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	129	178.5	-69.8	-114.6	0	0	0	109.5	E598 L599 N600 L601 D660 G661	E598-H625 IonicContact OE1-CD2 3.87Å; E598-H625 IonicContact OE1-CE1 2.61Å; E598-H625 IonicContact OE1-NE2 2.97Å; E598-H625 PolarHBondContact OE1-NE2 3.27Å; L599-H625 PolarHBondContact O-N 2.86Å; N600-H625 HydrophobicContact CB-CB 4.5Å; L601-H625 WeakPolarHBondContact CB-O 3.36Å; L601-H625 PolarHBondContact N-O 3.1Å; H625-D660 WeakPolarHBondContact CA-OD1 3.48Å; H625-G661 PolarHBondContact CE1-N 3.01Å
626	I	84.1	Confident	74.5	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	94.3	-179.1	-51.7	-173.4	0	0	0	108.5	L601 L606 V612 L624 G628 N632 I634 V635 W642 I646 D660	L601-I626 HydrophobicContact CB-CG1 4.45Å; L601-I626 HydrophobicContact CD1-CD1 4.4Å; L601-I626 HydrophobicContact CD1-CG1 4.13Å; L606-I626 HydrophobicContact CD1-CD1 4.36Å; L606-I626 HydrophobicContact CD1-CG2 4.07Å; V612-I626 HydrophobicContact CG1-CD1 4.37Å; V612-I626 HydrophobicContact CG2-CD1 4.47Å; L624-I626 HydrophobicContact CD1-CG1 4.42Å; L624-I626 HydrophobicContact CD2-CD1 4.3Å; L624-I626 HydrophobicContact CG-CD1 4.44Å; L624-I626 HydrophobicContact CG-CG1 4.21Å; I626-G628 PolarHBondContact O-N 3.32Å; I626-G628 VanDerWaalsContact O-N 3.08Å; I626-N632 HydrophobicContact CG2-CB 3.82Å; I626-I634 HydrophobicContact CD1-CD1 4.37Å; I626-I634 HydrophobicContact CG2-CD1 4.49Å; I626-V635 HydrophobicContact CB-CG2 4.44Å; I626-V635 HydrophobicContact CG2-CG2 3.81Å; I626-W642 HydrophobicContact CB-CZ3 4.49Å; I626-W642 HydrophobicContact CD1-CZ3 4.41Å; I626-I646 HydrophobicContact CD1-CD1 3.49Å; I626-I646 VanDerWaalsContact CD1-CD1 3.49Å; I626-D660 PolarHBondContact N-OD1 3.24Å
627	T	72.3	Confident	73.9	Confident	63 Å²	63	50.2 Å²	50.2	39%	0.387	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	114.2	-176.4	65.5	0	0	0	0	110.1	L601 E602 N632	L601-T627 PolarHBondContact O-N 2.79Å; L601-T627 PolarHBondContact O-OG1 3.44Å; E602-T627 WeakPolarHBondContact CA-OG1 3.36Å; E602-T627 HydrophobicContact CG-CG2 3.9Å; T627-N632 PolarHBondContact O-ND2 2.92Å; T627-N632 VanDerWaalsContact O-ND2 3.11Å
628	G	59.5	Low	73.3	Confident	10 Å²	10	47.5 Å²	47.5	10%	0.103	26%	0.256	C	S	.	.			trans	-78.2	-42.4	-175.7	0	0	0	0	0	115.2	I626 N630	I626-G628 PolarHBondContact O-N 3.32Å; I626-G628 VanDerWaalsContact O-N 3.08Å; G628-N630 PolarHBondContact O-N 3.41Å
629	S	54.2	Low	72.9	Confident	102 Å²	102	49.6 Å²	49.6	71%	0.713	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	44.2	-156.5	61.5	0	0	0	0	116.2
630	N	52.7	Low	72.9	Confident	113 Å²	113	51.2 Å²	51.2	60%	0.604	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	145.1	67.4	165.8	-81.1	-23.9	0	0	0	108.9	G628	G628-N630 PolarHBondContact O-N 3.41Å
631	G	60.2	Low	72.7	Confident	17 Å²	17	46.8 Å²	46.8	18%	0.175	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	154.8	-9.5	166.7	0	0	0	0	0	119.2	N603 Q605 P633	N603-G631 WeakPolarHBondContact OD1-CA 3.36Å; Q605-G631 VanDerWaalsContact CA-O 3.22Å; Q605-G631 WeakPolarHBondContact CA-O 3.21Å; Q605-G631 PolarHBondContact N-O 2.77Å; G631-P633 WeakPolarHBondContact O-CD 3.17Å
632	N	75.5	Confident	72.7	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.005	27%	0.274	C	S	.	.			trans	-122.7	82.7	175	-74.3	-48.7	0	0	0	110.9	L601 N604 Q605 L606 I626 T627 I634 V635	L601-N632 PolarHBondContact O-ND2 3.11Å; L601-N632 VanDerWaalsContact O-ND2 3.08Å; N604-N632 PolarHBondContact N-OD1 3.16Å; N604-N632 VanDerWaalsContact N-OD1 3.08Å; Q605-N632 PolarHBondContact N-OD1 3.46Å; L606-N632 HydrophobicContact CB-CB 4.31Å; L606-N632 PolarHBondContact N-OD1 3.48Å; I626-N632 HydrophobicContact CG2-CB 3.82Å; T627-N632 PolarHBondContact O-ND2 2.92Å; T627-N632 VanDerWaalsContact O-ND2 3.11Å; N632-I634 PolarHBondContact O-N 3.44Å; N632-V635 HydrophobicContact CB-CG2 4.32Å; N632-V635 PolarHBondContact O-N 3Å
633	P	71.3	Confident	72.8	Confident	35 Å²	35	47.2 Å²	47.2	23%	0.227	27%	0.267	C	S	.	.	H	α-helix	trans	-47.9	-30.1	-173.5	-32.2	34.4	0	0	0	117	L606 G631 V635 E636 Q637	L606-P633 WeakPolarHBondContact O-CD 3.45Å; L606-P633 VanDerWaalsContact O-N 3.12Å; G631-P633 WeakPolarHBondContact O-CD 3.17Å; P633-V635 PolarHBondContact O-N 3.32Å; P633-E636 PolarHBondContact O-N 3.38Å; P633-Q637 HydrophobicContact CB-CG 4.49Å; P633-Q637 VanDerWaalsContact O-CB 3.29Å; P633-Q637 WeakPolarHBondContact O-CB 3.44Å; P633-Q637 VanDerWaalsContact O-CG 3.3Å; P633-Q637 WeakPolarHBondContact O-CG 3.47Å; P633-Q637 PolarHBondContact O-N 3.07Å
634	I	75.8	Confident	72.5	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-54.1	-34.6	175.3	56.2	171.5	0	0	0	113.5	L606 K607 Y608 L609 V612 I626 N632 S638	L606-I634 HydrophobicContact CB-CD1 3.92Å; L606-I634 HydrophobicContact CB-CG1 3.91Å; L606-I634 HydrophobicContact CB-CG2 4.48Å; L606-I634 HydrophobicContact CD1-CD1 3.99Å; L606-I634 HydrophobicContact CG-CD1 4.38Å; L606-I634 PolarHBondContact O-N 3.22Å; K607-I634 VanDerWaalsContact C-CG2 3.45Å; Y608-I634 VanDerWaalsContact C-CG2 3.46Å; L609-I634 HydrophobicContact CD2-CB 4.23Å; L609-I634 HydrophobicContact CD2-CG2 4.3Å; V612-I634 HydrophobicContact CG2-CD1 3.57Å; I626-I634 HydrophobicContact CD1-CD1 4.37Å; I626-I634 HydrophobicContact CG2-CD1 4.49Å; N632-I634 PolarHBondContact O-N 3.44Å; I634-S638 WeakPolarHBondContact O-CB 3.24Å; I634-S638 PolarHBondContact O-N 2.91Å; I634-S638 PolarHBondContact O-OG 3.31Å
635	V	73.9	Confident	72.2	Confident	25 Å²	25	48.8 Å²	48.8	15%	0.152	28%	0.276	C	S	.	.	H	α-helix	trans	-70.9	-42.2	-174	-178.6	0	0	0	0	110.6	I626 N632 P633 W642	I626-V635 HydrophobicContact CB-CG2 4.44Å; I626-V635 HydrophobicContact CG2-CG2 3.81Å; N632-V635 HydrophobicContact CB-CG2 4.32Å; N632-V635 PolarHBondContact O-N 3Å; P633-V635 PolarHBondContact O-N 3.32Å; V635-W642 HydrophobicContact CG1-CZ2 3.92Å; V635-W642 HydrophobicContact CG2-CD2 4.29Å; V635-W642 HydrophobicContact CG2-CZ2 4.38Å
636	E	68.7	Low	72	Confident	122 Å²	122	46.9 Å²	46.9	57%	0.57	27%	0.267	S	S	*	.	H	α-helix	trans	-79.6	-49.3	179.3	-59.4	-178.8	158.9	0	0	111.4	P633 S638 G639	P633-E636 PolarHBondContact O-N 3.38Å; E636-S638 VanDerWaalsContact C-N 3.3Å; E636-S638 PolarHBondContact O-N 2.83Å; E636-G639 PolarHBondContact O-N 2.88Å
637	Q	66.3	Low	72.1	Confident	135 Å²	135	46.9 Å²	46.9	63%	0.631	27%	0.268	S	S	*	.	H	α-helix	trans	-72.4	-20.6	-172	-63.2	-174.8	13.7	0	0	113.9	P633	P633-Q637 HydrophobicContact CB-CG 4.49Å; P633-Q637 VanDerWaalsContact O-CB 3.29Å; P633-Q637 WeakPolarHBondContact O-CB 3.44Å; P633-Q637 VanDerWaalsContact O-CG 3.3Å; P633-Q637 WeakPolarHBondContact O-CG 3.47Å; P633-Q637 PolarHBondContact O-N 3.07Å
638	S	62.2	Low	72.7	Confident	28 Å²	28	44 Å²	44	20%	0.196	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-3.4	-179.7	-40.8	0	0	0	0	113.8	I634 E636 Q640 L641	I634-S638 WeakPolarHBondContact O-CB 3.24Å; I634-S638 PolarHBondContact O-N 2.91Å; I634-S638 PolarHBondContact O-OG 3.31Å; E636-S638 VanDerWaalsContact C-N 3.3Å; E636-S638 PolarHBondContact O-N 2.83Å; S638-Q640 PolarHBondContact O-N 2.88Å; S638-Q640 VanDerWaalsContact O-N 3.16Å; S638-L641 WeakPolarHBondContact O-CB 3.29Å; S638-L641 PolarHBondContact O-N 3.49Å
639	G	70.3	Confident	73.7	Confident	46 Å²	46	43.8 Å²	43.8	47%	0.474	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	-114.6	-177.8	0	0	0	0	0	112.5	E636 W642	E636-G639 PolarHBondContact O-N 2.88Å; G639-W642 PolarHBondContact O-NE1 2.78Å
640	Q	69.9	Low	75	Confident	156 Å²	156	39 Å²	39	73%	0.729	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-11.7	174.7	-67.1	-176.6	-4.3	0	0	113.7	S638 W642 R643	S638-Q640 PolarHBondContact O-N 2.88Å; S638-Q640 VanDerWaalsContact O-N 3.16Å; Q640-W642 VanDerWaalsContact C-N 3.33Å; Q640-W642 PolarHBondContact O-N 2.97Å; Q640-R643 PolarHBondContact O-N 3.19Å
641	L	74.3	Confident	76.5	Confident	32 Å²	32	34 Å²	34	17%	0.168	19%	0.187	C	C	.	.	H	α-helix	trans	-69.2	-26.9	-172.5	-68.3	174	0	0	0	113.7	S638 S644 F645 L675 L865 I872	S638-L641 WeakPolarHBondContact O-CB 3.29Å; S638-L641 PolarHBondContact O-N 3.49Å; L641-S644 PolarHBondContact O-N 3.48Å; L641-F645 WeakPolarHBondContact O-CB 3.36Å; L641-F645 PolarHBondContact O-N 2.82Å; L641-L675 HydrophobicContact CD2-CD1 4.15Å; L641-L865 HydrophobicContact CD1-CD2 3.86Å; L641-L865 HydrophobicContact CD2-CD1 4.23Å; L641-L865 HydrophobicContact CD2-CD2 3.9Å; L641-L865 HydrophobicContact CG-CD2 4.14Å; L641-I872 HydrophobicContact CD1-CD1 4.27Å
642	W	83.4	Confident	77.4	Confident	19 Å²	19	34.6 Å²	34.6	7%	0.072	19%	0.187	C	C	.	.	H	α-helix	trans	-65.3	-39.8	178.1	70.6	-90.5	0	0	0	111.4	L609 I626 V635 G639 Q640 S644 F645 I646 L659 D660	L609-W642 HydrophobicContact CD2-CB 3.46Å; L609-W642 VanDerWaalsContact CD2-CB 3.46Å; I626-W642 HydrophobicContact CB-CZ3 4.49Å; I626-W642 HydrophobicContact CD1-CZ3 4.41Å; V635-W642 HydrophobicContact CG1-CZ2 3.92Å; V635-W642 HydrophobicContact CG2-CD2 4.29Å; V635-W642 HydrophobicContact CG2-CZ2 4.38Å; G639-W642 PolarHBondContact O-NE1 2.78Å; Q640-W642 VanDerWaalsContact C-N 3.33Å; Q640-W642 PolarHBondContact O-N 2.97Å; W642-S644 PolarHBondContact O-N 3.29Å; W642-F645 PolarHBondContact O-N 3.2Å; W642-I646 HydrophobicContact CE3-CD1 3.57Å; W642-I646 HydrophobicContact CZ3-CD1 3.81Å; W642-I646 WeakPolarHBondContact O-CG1 3.23Å; W642-I646 PolarHBondContact O-N 3.01Å; W642-L659 HydrophobicContact CZ3-CD1 4.11Å; W642-L659 HydrophobicContact CZ3-CD2 4.38Å; W642-L659 HydrophobicContact CZ3-CG 4.33Å; W642-D660 VanDerWaalsContact CH2-OD2 3.3Å; W642-D660 WeakPolarHBondContact CH2-OD2 3.29Å
643	R	88.4	Confident	77.3	Confident	38 Å²	38	35.5 Å²	35.5	14%	0.143	19%	0.193	C	C	.	.	H	α-helix	trans	-59.4	-50.1	175.1	176.3	173.1	-177.6	90.3	-0.1	110.3	Q640 F645 I646 I647 L659 K662 E668	Q640-R643 PolarHBondContact O-N 3.19Å; R643-F645 VanDerWaalsContact C-N 3.32Å; R643-F645 PolarHBondContact O-N 3.2Å; R643-I646 PolarHBondContact O-N 2.96Å; R643-I647 HydrophobicContact CG-CD1 3.66Å; R643-I647 HydrophobicContact CG-CG1 4.42Å; R643-I647 WeakPolarHBondContact O-CB 3.26Å; R643-I647 VanDerWaalsContact O-CG1 3.23Å; R643-I647 WeakPolarHBondContact O-CG1 3.1Å; R643-I647 PolarHBondContact O-N 3.2Å; R643-L659 HydrophobicContact CG-CD2 3.96Å; R643-L659 PolarHBondContact NH1-O 2.8Å; R643-K662 PolarHBondContact NH2-O 2.92Å; R643-E668 IonicContact CZ-OE2 3.98Å; R643-E668 VanDerWaalsContact CZ-OE2 3.32Å; R643-E668 IonicContact NE-OE2 3.2Å; R643-E668 PolarHBondContact NE-OE2 2.97Å; R643-E668 IonicContact NH2-OE2 3.77Å; R643-E668 PolarHBondContact NH2-OE2 3.49Å
644	S	82.8	Confident	77.6	Confident	30 Å²	30	34 Å²	34	21%	0.21	18%	0.183	C	C	.	.	H	α-helix	trans	-64.8	-34.5	177.7	-65	0	0	0	0	112.8	L641 W642 I647 W648 S672	L641-S644 PolarHBondContact O-N 3.48Å; W642-S644 PolarHBondContact O-N 3.29Å; S644-I647 PolarHBondContact O-N 3.16Å; S644-W648 WeakPolarHBondContact O-CB 3.45Å; S644-W648 PolarHBondContact O-N 3.01Å; S644-S672 WeakPolarHBondContact CA-OG 3.41Å; S644-S672 WeakPolarHBondContact CB-OG 3.42Å; S644-S672 VanDerWaalsContact O-CB 3.3Å; S644-S672 WeakPolarHBondContact O-CB 3.45Å; S644-S672 PolarHBondContact O-OG 3.3Å; S644-S672 PolarHBondContact OG-OG 3.25Å
645	F	82.8	Confident	77.8	Confident	10 Å²	10	39.3 Å²	39.3	4%	0.044	21%	0.211	C	C	.	.	H	α-helix	trans	-66.2	-45.3	176.2	-177.2	-88.6	0	0	0	111.7	L609 T613 L641 W642 R643 W648 S649 F676	L609-F645 HydrophobicContact CB-CD1 3.82Å; L609-F645 HydrophobicContact CB-CD2 4.32Å; L609-F645 HydrophobicContact CB-CE1 4.03Å; L609-F645 HydrophobicContact CB-CE2 4.5Å; L609-F645 HydrophobicContact CB-CG 3.98Å; L609-F645 HydrophobicContact CB-CZ 4.36Å; L609-F645 HydrophobicContact CD1-CB 4.18Å; L609-F645 HydrophobicContact CD1-CD2 4.35Å; L609-F645 HydrophobicContact CD1-CG 4.18Å; L609-F645 HydrophobicContact CD2-CB 4.45Å; L609-F645 WeakPolarHBondContact O-CE1 3.3Å; T613-F645 HydrophobicContact CG2-CE1 3.76Å; T613-F645 HydrophobicContact CG2-CZ 3.96Å; L641-F645 WeakPolarHBondContact O-CB 3.36Å; L641-F645 PolarHBondContact O-N 2.82Å; W642-F645 PolarHBondContact O-N 3.2Å; R643-F645 VanDerWaalsContact C-N 3.32Å; R643-F645 PolarHBondContact O-N 3.2Å; F645-W648 HydrophobicContact CD2-CE3 4.2Å; F645-W648 HydrophobicContact CD2-CZ3 4.45Å; F645-W648 HydrophobicContact CE2-CE3 4Å; F645-W648 AromaticContact CE2-CZ3 3.83Å; F645-W648 HydrophobicContact CE2-CZ3 3.83Å; F645-W648 HydrophobicContact CZ-CZ3 4.29Å; F645-W648 PolarHBondContact O-N 3.22Å; F645-S649 WeakPolarHBondContact O-CB 3.43Å; F645-S649 PolarHBondContact O-N 3.35Å; F645-S649 PolarHBondContact O-OG 2.96Å; F645-F676 HydrophobicContact CB-CE1 4.38Å; F645-F676 HydrophobicContact CB-CE2 4.01Å; F645-F676 HydrophobicContact CB-CZ 3.8Å; F645-F676 HydrophobicContact CD2-CD1 4.02Å; F645-F676 AromaticContact CD2-CE1 3.75Å; F645-F676 HydrophobicContact CD2-CE1 3.75Å; F645-F676 HydrophobicContact CD2-CZ 4.05Å; F645-F676 HydrophobicContact CG-CZ 4.45Å
646	I	83.9	Confident	78.3	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-63.5	-43.2	175.4	-66.9	177.5	0	0	0	110.6	V612 L624 I626 W642 R643 W648 S649 L650 L656 L659	V612-I646 HydrophobicContact CB-CD1 4.47Å; V612-I646 HydrophobicContact CB-CG1 4.26Å; V612-I646 HydrophobicContact CG1-CD1 3.78Å; V612-I646 HydrophobicContact CG1-CG1 3.77Å; V612-I646 HydrophobicContact CG2-CD1 4.36Å; L624-I646 HydrophobicContact CD2-CG2 4.12Å; I626-I646 HydrophobicContact CD1-CD1 3.49Å; I626-I646 VanDerWaalsContact CD1-CD1 3.49Å; W642-I646 HydrophobicContact CE3-CD1 3.57Å; W642-I646 HydrophobicContact CZ3-CD1 3.81Å; W642-I646 WeakPolarHBondContact O-CG1 3.23Å; W642-I646 PolarHBondContact O-N 3.01Å; R643-I646 PolarHBondContact O-N 2.96Å; I646-W648 VanDerWaalsContact C-N 3.31Å; I646-W648 PolarHBondContact O-N 3.25Å; I646-S649 PolarHBondContact O-N 3.4Å; I646-L650 HydrophobicContact CG2-CB 4.32Å; I646-L650 HydrophobicContact CG2-CD1 4.2Å; I646-L650 HydrophobicContact CG2-CG 4.45Å; I646-L650 PolarHBondContact O-N 3.22Å; I646-L656 HydrophobicContact CG2-CD2 4.09Å; I646-L659 HydrophobicContact CB-CD2 3.95Å; I646-L659 HydrophobicContact CD1-CD1 4.31Å; I646-L659 HydrophobicContact CG2-CD1 4.19Å; I646-L659 HydrophobicContact CG2-CD2 3.72Å
647	I	85.7	Confident	79.1	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-61.6	-40.4	177.2	-70.4	170.2	0	0	0	111.2	R643 S644 A651 L659 I664 E668 V669	R643-I647 HydrophobicContact CG-CD1 3.66Å; R643-I647 HydrophobicContact CG-CG1 4.42Å; R643-I647 WeakPolarHBondContact O-CB 3.26Å; R643-I647 VanDerWaalsContact O-CG1 3.23Å; R643-I647 WeakPolarHBondContact O-CG1 3.1Å; R643-I647 PolarHBondContact O-N 3.2Å; S644-I647 PolarHBondContact O-N 3.16Å; I647-A651 HydrophobicContact CG2-CB 4.35Å; I647-A651 WeakPolarHBondContact O-CB 3.4Å; I647-A651 PolarHBondContact O-N 2.93Å; I647-L659 HydrophobicContact CG1-CD2 4.15Å; I647-I664 HydrophobicContact CD1-CG1 4.32Å; I647-I664 HydrophobicContact CD1-CG2 4.11Å; I647-I664 HydrophobicContact CG1-CD1 4.1Å; I647-I664 HydrophobicContact CG1-CG1 4.2Å; I647-I664 HydrophobicContact CG1-CG2 4.06Å; I647-I664 HydrophobicContact CG2-CG2 4.09Å; I647-E668 HydrophobicContact CD1-CB 4.11Å; I647-V669 HydrophobicContact CG2-CB 4.23Å; I647-V669 HydrophobicContact CG2-CG2 3.94Å
648	W	84.3	Confident	80.2	Confident	2 Å²	2	33 Å²	33	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-68.1	-38	175	172.6	66	0	0	0	113.5	S644 F645 I646 F676 L701 V704 N705	S644-W648 WeakPolarHBondContact O-CB 3.45Å; S644-W648 PolarHBondContact O-N 3.01Å; F645-W648 HydrophobicContact CD2-CE3 4.2Å; F645-W648 HydrophobicContact CD2-CZ3 4.45Å; F645-W648 HydrophobicContact CE2-CE3 4Å; F645-W648 AromaticContact CE2-CZ3 3.83Å; F645-W648 HydrophobicContact CE2-CZ3 3.83Å; F645-W648 HydrophobicContact CZ-CZ3 4.29Å; F645-W648 PolarHBondContact O-N 3.22Å; I646-W648 VanDerWaalsContact C-N 3.31Å; I646-W648 PolarHBondContact O-N 3.25Å; W648-F676 HydrophobicContact CB-CB 4.13Å; W648-F676 HydrophobicContact CB-CD2 3.97Å; W648-F676 HydrophobicContact CB-CG 4.35Å; W648-F676 HydrophobicContact CD2-CB 3.34Å; W648-F676 HydrophobicContact CD2-CG 4.09Å; W648-F676 HydrophobicContact CE3-CB 3.75Å; W648-F676 HydrophobicContact CE3-CG 4.12Å; W648-F676 HydrophobicContact CG-CB 3.51Å; W648-F676 HydrophobicContact CG-CD2 4.3Å; W648-F676 HydrophobicContact CG-CG 4.2Å; W648-F676 HydrophobicContact CZ2-CB 4.28Å; W648-F676 HydrophobicContact CZ3-CB 4.38Å; W648-L701 HydrophobicContact CH2-CD2 4.18Å; W648-L701 HydrophobicContact CH2-CG 4.06Å; W648-L701 HydrophobicContact CZ3-CG 4.42Å; W648-V704 HydrophobicContact CE3-CG1 4.15Å; W648-V704 HydrophobicContact CH2-CB 4.45Å; W648-V704 HydrophobicContact CH2-CG1 3.85Å; W648-V704 HydrophobicContact CZ2-CG1 4.27Å; W648-V704 HydrophobicContact CZ3-CG1 3.78Å; W648-N705 HydrophobicContact CZ2-CB 4.1Å
649	S	80.2	Confident	81.4	Confident	6 Å²	6	31.7 Å²	31.7	4%	0.042	17%	0.174	C	C	.	.	H	α-helix	trans	-94.8	-27.8	-169.6	55.3	0	0	0	0	115.5	F645 I646 S653	F645-S649 WeakPolarHBondContact O-CB 3.43Å; F645-S649 PolarHBondContact O-N 3.35Å; F645-S649 PolarHBondContact O-OG 2.96Å; I646-S649 PolarHBondContact O-N 3.4Å; S649-S653 PolarHBondContact O-OG 2.81Å
650	L	83.4	Confident	82	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-118.2	-25.4	-176.2	-64.1	-168.2	0	0	0	115.2	V612 L615 I616 L624 I646 D652 S653 L654	V612-L650 HydrophobicContact CG1-CD1 3.89Å; L615-L650 HydrophobicContact CB-CD1 3.94Å; L615-L650 HydrophobicContact CD1-CD1 4.06Å; I616-L650 HydrophobicContact CD1-CD2 4.29Å; I616-L650 HydrophobicContact CG1-CD2 3.46Å; I616-L650 VanDerWaalsContact CG1-CD2 3.46Å; L624-L650 HydrophobicContact CD2-CD1 4.06Å; I646-L650 HydrophobicContact CG2-CB 4.32Å; I646-L650 HydrophobicContact CG2-CD1 4.2Å; I646-L650 HydrophobicContact CG2-CG 4.45Å; I646-L650 PolarHBondContact O-N 3.22Å; L650-D652 PolarHBondContact O-N 3.12Å; L650-S653 WeakPolarHBondContact CA-OG 3.43Å; L650-S653 PolarHBondContact O-N 3.44Å; L650-S653 PolarHBondContact O-OG 3.04Å; L650-S653 VanDerWaalsContact O-OG 3.11Å; L650-L654 HydrophobicContact CB-CD1 4.17Å; L650-L654 HydrophobicContact CB-CG 4.42Å; L650-L654 HydrophobicContact CD1-CD1 4.01Å; L650-L654 HydrophobicContact CD2-CD1 4.11Å; L650-L654 HydrophobicContact CD2-CG 4.5Å; L650-L654 HydrophobicContact CG-CD1 4.34Å; L650-L654 PolarHBondContact O-N 3.41Å
651	A	83.5	Confident	82.5	Confident	9 Å²	9	26.8 Å²	26.8	7%	0.074	15%	0.153	C	C	.	.	H	α-helix	trans	-67.8	-38.1	-168.3	0	0	0	0	0	113.5	I647 N655 L656 I664	I647-A651 HydrophobicContact CG2-CB 4.35Å; I647-A651 WeakPolarHBondContact O-CB 3.4Å; I647-A651 PolarHBondContact O-N 2.93Å; A651-N655 CarbonylContact O-C 3.6Å; A651-N655 VanDerWaalsContact O-CA 3.26Å; A651-N655 WeakPolarHBondContact O-CA 3.19Å; A651-N655 PolarHBondContact O-N 2.69Å; A651-L656 HydrophobicContact CB-CB 4.26Å; A651-L656 PolarHBondContact O-N 3.24Å; A651-I664 HydrophobicContact CB-CD1 4.43Å
652	D	78	Confident	83	Confident	30 Å²	30	32 Å²	32	16%	0.16	18%	0.175	C	C	.	.	H	α-helix	trans	-72.6	-32.1	174.3	-64.4	-33.3	0	0	0	112.9	L650 K673 S708 M711	L650-D652 PolarHBondContact O-N 3.12Å; D652-K673 WeakPolarHBondContact OD1-CE 3.26Å; D652-K673 IonicContact OD1-NZ 2.72Å; D652-K673 PolarHBondContact OD1-NZ 3.29Å; D652-K673 WeakPolarHBondContact OD2-CE 3.48Å; D652-K673 IonicContact OD2-NZ 3.37Å; D652-K673 PolarHBondContact OD2-NZ 3.35Å; D652-S708 WeakPolarHBondContact OD2-CB 2.87Å; D652-S708 PolarHBondContact OD2-OG 3.31Å; D652-M711 HydrophobicContact CB-CB 4.2Å; D652-M711 HydrophobicContact CB-CG 4.3Å; D652-M711 WeakPolarHBondContact O-CE 3.28Å
653	S	75.3	Confident	83.2	Confident	20 Å²	20	35.9 Å²	35.9	14%	0.14	20%	0.196	C	C	.	.	H	α-helix	trans	-85.4	-38.3	-171.1	54.6	0	0	0	0	112.7	S649 L650	S649-S653 PolarHBondContact O-OG 2.81Å; L650-S653 WeakPolarHBondContact CA-OG 3.43Å; L650-S653 PolarHBondContact O-N 3.44Å; L650-S653 PolarHBondContact O-OG 3.04Å; L650-S653 VanDerWaalsContact O-OG 3.11Å
654	L	76.3	Confident	83.2	Confident	3 Å²	3	34.9 Å²	34.9	2%	0.016	19%	0.193	C	C	.	.	H	α-helix	trans	-99.4	-2.3	-179.8	-52.5	-173.7	0	0	0	113	I616 F618 L621 L650 L656	I616-L654 WeakPolarHBondContact O-CD2 3Å; F618-L654 WeakPolarHBondContact O-CD2 3.38Å; L621-L654 HydrophobicContact CB-CB 4.47Å; L621-L654 HydrophobicContact CB-CD1 4.13Å; L621-L654 HydrophobicContact CD2-CD1 4.05Å; L650-L654 HydrophobicContact CB-CD1 4.17Å; L650-L654 HydrophobicContact CB-CG 4.42Å; L650-L654 HydrophobicContact CD1-CD1 4.01Å; L650-L654 HydrophobicContact CD2-CD1 4.11Å; L650-L654 HydrophobicContact CD2-CG 4.5Å; L650-L654 HydrophobicContact CG-CD1 4.34Å; L650-L654 PolarHBondContact O-N 3.41Å; L654-L656 PolarHBondContact O-N 3.49Å
655	N	80.2	Confident	83.3	Confident	112 Å²	112	39.2 Å²	39.2	60%	0.599	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	39.1	-167.1	-55.9	-82.3	0	0	0	112.6	A651 T657	A651-N655 CarbonylContact O-C 3.6Å; A651-N655 VanDerWaalsContact O-CA 3.26Å; A651-N655 WeakPolarHBondContact O-CA 3.19Å; A651-N655 PolarHBondContact O-N 2.69Å; N655-T657 WeakPolarHBondContact O-CG2 3.47Å; N655-T657 PolarHBondContact O-N 3.03Å
656	L	84.2	Confident	83.3	Confident	8 Å²	8	43.7 Å²	43.7	4%	0.042	24%	0.239	C	C	.	.			trans	-60.8	119.3	-175	-164	70.8	0	0	0	110.5	L621 L624 I646 A651 L654 L659 I664	L621-L656 WeakPolarHBondContact O-CD1 3.1Å; L624-L656 HydrophobicContact CB-CD1 3.76Å; L624-L656 HydrophobicContact CB-CD2 4.2Å; L624-L656 HydrophobicContact CD2-CD2 4.5Å; I646-L656 HydrophobicContact CG2-CD2 4.09Å; A651-L656 HydrophobicContact CB-CB 4.26Å; A651-L656 PolarHBondContact O-N 3.24Å; L654-L656 PolarHBondContact O-N 3.49Å; L656-L659 HydrophobicContact CD2-CB 4.38Å; L656-I664 HydrophobicContact CB-CD1 4.06Å; L656-I664 HydrophobicContact CD2-CD1 3.71Å; L656-I664 HydrophobicContact CG-CD1 3.78Å; L656-I664 WeakPolarHBondContact O-CD1 3.27Å
657	T	85.8	Confident	83.1	Confident	56 Å²	56	49.3 Å²	49.3	34%	0.344	27%	0.269	S	S	.	.			trans	-100	-36.6	-178.6	64.8	0	0	0	0	112.3	T622 N655 L663 I664	T622-T657 PolarHBondContact O-N 3.21Å; T622-T657 PolarHBondContact O-OG1 2.82Å; N655-T657 WeakPolarHBondContact O-CG2 3.47Å; N655-T657 PolarHBondContact O-N 3.03Å; T657-L663 CarbonylContact O-C 3.58Å; T657-L663 WeakPolarHBondContact O-CA 3.42Å; T657-I664 PolarHBondContact O-N 3.14Å
658	F	88.3	Confident	82.9	Confident	86 Å²	86	51.6 Å²	51.6	38%	0.377	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	137.1	178.4	-64.8	-84.3	0	0	0	111.7	T622 A623 L624 L663	T622-F658 PolarHBondContact O-N 3.41Å; T622-F658 VanDerWaalsContact O-N 3.16Å; A623-F658 WeakPolarHBondContact CA-O 3.24Å; A623-F658 HydrophobicContact CB-CB 4.05Å; L624-F658 PolarHBondContact N-O 2.91Å; F658-L663 HydrophobicContact CD1-CB 4.24Å; F658-L663 HydrophobicContact CE1-CB 3.95Å; F658-L663 HydrophobicContact CE1-CD1 3.99Å; F658-L663 HydrophobicContact CZ-CD1 4Å
659	L	87.9	Confident	82.8	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	121.5	170	176.7	60.5	0	0	0	108.9	L624 W642 R643 I646 I647 L656 G661 K662 I664	L624-L659 HydrophobicContact CB-CD1 4.13Å; L624-L659 HydrophobicContact CD2-CD1 4.2Å; L624-L659 HydrophobicContact CG-CD1 4.1Å; L624-L659 CarbonylContact O-C 3.55Å; L624-L659 VanDerWaalsContact O-CA 3.26Å; L624-L659 WeakPolarHBondContact O-CA 3.15Å; L624-L659 WeakPolarHBondContact O-CD1 3.49Å; W642-L659 HydrophobicContact CZ3-CD1 4.11Å; W642-L659 HydrophobicContact CZ3-CD2 4.38Å; W642-L659 HydrophobicContact CZ3-CG 4.33Å; R643-L659 HydrophobicContact CG-CD2 3.96Å; R643-L659 PolarHBondContact NH1-O 2.8Å; I646-L659 HydrophobicContact CB-CD2 3.95Å; I646-L659 HydrophobicContact CD1-CD1 4.31Å; I646-L659 HydrophobicContact CG2-CD1 4.19Å; I646-L659 HydrophobicContact CG2-CD2 3.72Å; I647-L659 HydrophobicContact CG1-CD2 4.15Å; L656-L659 HydrophobicContact CD2-CB 4.38Å; L659-G661 VanDerWaalsContact C-N 3.3Å; L659-G661 PolarHBondContact O-N 3.23Å; L659-K662 PolarHBondContact N-O 3.49Å; L659-K662 VanDerWaalsContact N-O 3.15Å; L659-K662 WeakPolarHBondContact O-CB 2.96Å; L659-K662 PolarHBondContact O-N 3.36Å; L659-K662 VanDerWaalsContact O-N 3.07Å; L659-I664 HydrophobicContact CB-CD1 3.9Å; L659-I664 HydrophobicContact CB-CG1 4.08Å
660	D	84.3	Confident	82.7	Confident	52 Å²	52	57 Å²	57	28%	0.278	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	46.6	-168.8	-82.5	2.9	0	0	0	112.9	L624 H625 I626 W642 K662	L624-D660 PolarHBondContact O-N 2.78Å; H625-D660 WeakPolarHBondContact CA-OD1 3.48Å; I626-D660 PolarHBondContact N-OD1 3.24Å; W642-D660 VanDerWaalsContact CH2-OD2 3.3Å; W642-D660 WeakPolarHBondContact CH2-OD2 3.29Å; D660-K662 PolarHBondContact O-N 2.98Å
661	G	79.6	Confident	82.5	Confident	48 Å²	48	61.5 Å²	61.5	50%	0.495	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	5.4	-178.3	0	0	0	0	0	115	H625 L659	H625-G661 PolarHBondContact CE1-N 3.01Å; L659-G661 VanDerWaalsContact C-N 3.3Å; L659-G661 PolarHBondContact O-N 3.23Å
662	K	85	Confident	82.3	Confident	141 Å²	141	61.1 Å²	61.1	61%	0.613	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	115.9	179.4	-67.9	166.9	-174.4	164.4	0	109.9	R643 L659 D660 I664	R643-K662 PolarHBondContact NH2-O 2.92Å; L659-K662 PolarHBondContact N-O 3.49Å; L659-K662 VanDerWaalsContact N-O 3.15Å; L659-K662 WeakPolarHBondContact O-CB 2.96Å; L659-K662 PolarHBondContact O-N 3.36Å; L659-K662 VanDerWaalsContact O-N 3.07Å; D660-K662 PolarHBondContact O-N 2.98Å; K662-I664 PolarHBondContact O-N 3.2Å
663	L	88.1	Confident	82.3	Confident	100 Å²	100	61 Å²	61	52%	0.524	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-47.5	125	173.9	-176.1	73.5	0	0	0	110.6	T657 F658 K665	T657-L663 CarbonylContact O-C 3.58Å; T657-L663 WeakPolarHBondContact O-CA 3.42Å; F658-L663 HydrophobicContact CD1-CB 4.24Å; F658-L663 HydrophobicContact CE1-CB 3.95Å; F658-L663 HydrophobicContact CE1-CD1 3.99Å; F658-L663 HydrophobicContact CZ-CD1 4Å; L663-K665 PolarHBondContact O-N 3.36Å
664	I	86.9	Confident	82.2	Confident	17 Å²	17	64.9 Å²	64.9	9%	0.087	34%	0.344	C	S	.	.			trans	-74.8	113.9	175.3	-63.9	170.2	0	0	0	107.7	I647 A651 L656 T657 L659 K662 V669	I647-I664 HydrophobicContact CD1-CG1 4.32Å; I647-I664 HydrophobicContact CD1-CG2 4.11Å; I647-I664 HydrophobicContact CG1-CD1 4.1Å; I647-I664 HydrophobicContact CG1-CG1 4.2Å; I647-I664 HydrophobicContact CG1-CG2 4.06Å; I647-I664 HydrophobicContact CG2-CG2 4.09Å; A651-I664 HydrophobicContact CB-CD1 4.43Å; L656-I664 HydrophobicContact CB-CD1 4.06Å; L656-I664 HydrophobicContact CD2-CD1 3.71Å; L656-I664 HydrophobicContact CG-CD1 3.78Å; L656-I664 WeakPolarHBondContact O-CD1 3.27Å; T657-I664 PolarHBondContact O-N 3.14Å; L659-I664 HydrophobicContact CB-CD1 3.9Å; L659-I664 HydrophobicContact CB-CG1 4.08Å; K662-I664 PolarHBondContact O-N 3.2Å; I664-V669 HydrophobicContact CG2-CG2 3.59Å
665	K	86.7	Confident	82.2	Confident	121 Å²	121	67 Å²	67	53%	0.526	36%	0.355	S	S	.	.			trans	-82.4	145.1	-179	-64.1	173.2	-175.3	170	0	110.3	L663 N667 E668 V669	L663-K665 PolarHBondContact O-N 3.36Å; K665-N667 PolarHBondContact O-N 2.87Å; K665-E668 HydrophobicContact CB-CG 4.25Å; K665-E668 WeakPolarHBondContact O-CA 3.07Å; K665-E668 WeakPolarHBondContact O-CB 3.16Å; K665-E668 PolarHBondContact O-N 2.9Å; K665-V669 PolarHBondContact O-N 3.19Å; K665-V669 VanDerWaalsContact O-N 3.12Å
666	P	81.1	Confident	81.9	Confident	104 Å²	104	62.3 Å²	62.3	68%	0.675	33%	0.329	S	S	*	.	H	α-helix	trans	-52.4	-33.8	175.1	-29.2	36	0	0	0	113.9	V669 N670	P666-V669 WeakPolarHBondContact O-CB 3.24Å; P666-V669 PolarHBondContact O-N 3.45Å; P666-N670 PolarHBondContact O-N 3.13Å
667	N	81.5	Confident	81.2	Confident	119 Å²	119	63.4 Å²	63.4	64%	0.636	34%	0.338	S	S	*	.	H	α-helix	trans	-68.5	-35.9	175	-64.4	11.2	0	0	0	112.6	K665 V669 N670 E671	K665-N667 PolarHBondContact O-N 2.87Å; N667-V669 VanDerWaalsContact C-N 3.32Å; N667-N670 PolarHBondContact O-N 3.28Å; N667-E671 WeakPolarHBondContact O-CB 2.99Å; N667-E671 WeakPolarHBondContact O-CG 3.14Å; N667-E671 PolarHBondContact O-N 3.43Å
668	E	81.2	Confident	80.1	Confident	50 Å²	50	65.4 Å²	65.4	23%	0.234	35%	0.346	C	S	.	.	H	α-helix	trans	-66.6	-36.1	173.6	-70.2	174.9	-146.4	0	0	110.8	R643 I647 K665 S672	R643-E668 IonicContact CZ-OE2 3.98Å; R643-E668 VanDerWaalsContact CZ-OE2 3.32Å; R643-E668 IonicContact NE-OE2 3.2Å; R643-E668 PolarHBondContact NE-OE2 2.97Å; R643-E668 IonicContact NH2-OE2 3.77Å; R643-E668 PolarHBondContact NH2-OE2 3.49Å; I647-E668 HydrophobicContact CD1-CB 4.11Å; K665-E668 HydrophobicContact CB-CG 4.25Å; K665-E668 WeakPolarHBondContact O-CA 3.07Å; K665-E668 WeakPolarHBondContact O-CB 3.16Å; K665-E668 PolarHBondContact O-N 2.9Å; E668-S672 WeakPolarHBondContact O-CB 3.15Å; E668-S672 PolarHBondContact O-N 3.28Å; E668-S672 PolarHBondContact O-OG 3.03Å
669	V	82.5	Confident	78.9	Confident	25 Å²	25	61.9 Å²	61.9	15%	0.152	33%	0.33	C	S	.	.	H	α-helix	trans	-62.3	-50	172.8	-176.8	0	0	0	0	110.9	I647 I664 K665 P666 N667 S672 K673	I647-V669 HydrophobicContact CG2-CB 4.23Å; I647-V669 HydrophobicContact CG2-CG2 3.94Å; I664-V669 HydrophobicContact CG2-CG2 3.59Å; K665-V669 PolarHBondContact O-N 3.19Å; K665-V669 VanDerWaalsContact O-N 3.12Å; P666-V669 WeakPolarHBondContact O-CB 3.24Å; P666-V669 PolarHBondContact O-N 3.45Å; N667-V669 VanDerWaalsContact C-N 3.32Å; V669-S672 PolarHBondContact O-N 2.87Å; V669-K673 HydrophobicContact CG1-CD 3.99Å; V669-K673 WeakPolarHBondContact O-CB 3.29Å; V669-K673 WeakPolarHBondContact O-CG 3.02Å; V669-K673 PolarHBondContact O-N 2.84Å
670	N	78.2	Confident	77.9	Confident	96 Å²	96	62.1 Å²	62.1	51%	0.513	33%	0.331	S	S	.	.	H	α-helix	trans	-66	-42.8	180	-169.7	33.1	0	0	0	112.4	P666 N667 S672 K673 N674	P666-N670 PolarHBondContact O-N 3.13Å; N667-N670 PolarHBondContact O-N 3.28Å; N670-S672 VanDerWaalsContact C-N 3.32Å; N670-S672 PolarHBondContact O-N 2.99Å; N670-K673 PolarHBondContact O-N 3.29Å; N670-N674 PolarHBondContact O-N 2.84Å; N670-N674 PolarHBondContact O-ND2 3.29Å; N670-N674 PolarHBondContact OD1-ND2 3.46Å
671	E	78.2	Confident	76.7	Confident	94 Å²	94	63.6 Å²	63.6	44%	0.439	34%	0.336	S	S	.	.	H	α-helix	trans	-61.5	-40.8	175.8	-75.5	177.2	-167.9	0	0	111.5	N667 N674 L675 K858	N667-E671 WeakPolarHBondContact O-CB 2.99Å; N667-E671 WeakPolarHBondContact O-CG 3.14Å; N667-E671 PolarHBondContact O-N 3.43Å; E671-N674 PolarHBondContact O-N 3.44Å; E671-L675 WeakPolarHBondContact O-CB 3.49Å; E671-L675 PolarHBondContact O-N 2.91Å; E671-K858 VanDerWaalsContact CD-NZ 3.28Å; E671-K858 IonicContact OE1-NZ 2.74Å; E671-K858 PolarHBondContact OE1-NZ 2.62Å; E671-K858 IonicContact OE2-NZ 3.16Å; E671-K858 PolarHBondContact OE2-NZ 2.95Å; E671-K858 VanDerWaalsContact OE2-NZ 3.13Å
672	S	79.9	Confident	75.5	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.007	33%	0.333	C	S	.	.	H	α-helix	trans	-67.1	-42.9	177.1	-58.1	0	0	0	0	112.7	S644 E668 V669 N670 L675 F676	S644-S672 WeakPolarHBondContact CA-OG 3.41Å; S644-S672 WeakPolarHBondContact CB-OG 3.42Å; S644-S672 VanDerWaalsContact O-CB 3.3Å; S644-S672 WeakPolarHBondContact O-CB 3.45Å; S644-S672 PolarHBondContact O-OG 3.3Å; S644-S672 PolarHBondContact OG-OG 3.25Å; E668-S672 WeakPolarHBondContact O-CB 3.15Å; E668-S672 PolarHBondContact O-N 3.28Å; E668-S672 PolarHBondContact O-OG 3.03Å; V669-S672 PolarHBondContact O-N 2.87Å; N670-S672 VanDerWaalsContact C-N 3.32Å; N670-S672 PolarHBondContact O-N 2.99Å; S672-L675 PolarHBondContact O-N 3.38Å; S672-F676 WeakPolarHBondContact O-CD2 3.1Å; S672-F676 PolarHBondContact O-N 3.37Å
673	K	77.6	Confident	74.2	Confident	27 Å²	27	60.7 Å²	60.7	12%	0.117	31%	0.308	C	S	.	.	H	α-helix	trans	-57.9	-48.9	173.3	-76.6	172	179.8	175.3	0	112	D652 V669 N670 L675 F676 S677 S708 N712	D652-K673 WeakPolarHBondContact OD1-CE 3.26Å; D652-K673 IonicContact OD1-NZ 2.72Å; D652-K673 PolarHBondContact OD1-NZ 3.29Å; D652-K673 WeakPolarHBondContact OD2-CE 3.48Å; D652-K673 IonicContact OD2-NZ 3.37Å; D652-K673 PolarHBondContact OD2-NZ 3.35Å; V669-K673 HydrophobicContact CG1-CD 3.99Å; V669-K673 WeakPolarHBondContact O-CB 3.29Å; V669-K673 WeakPolarHBondContact O-CG 3.02Å; V669-K673 PolarHBondContact O-N 2.84Å; N670-K673 PolarHBondContact O-N 3.29Å; K673-L675 VanDerWaalsContact C-N 3.3Å; K673-L675 PolarHBondContact O-N 3.33Å; K673-F676 PolarHBondContact O-N 2.82Å; K673-S677 WeakPolarHBondContact O-CB 3.47Å; K673-S677 PolarHBondContact O-N 3.27Å; K673-S677 PolarHBondContact O-OG 3.46Å; K673-S677 VanDerWaalsContact O-OG 3.11Å; K673-S708 WeakPolarHBondContact CE-OG 3.39Å; K673-N712 PolarHBondContact NZ-OD1 2.97Å
674	N	74.1	Confident	72.7	Confident	102 Å²	102	60.3 Å²	60.3	55%	0.545	30%	0.302	S	S	.	.	H	α-helix	trans	-63.6	-35.4	179	-74.6	-65.5	0	0	0	112.7	N670 E671 L678	N670-N674 PolarHBondContact O-N 2.84Å; N670-N674 PolarHBondContact O-ND2 3.29Å; N670-N674 PolarHBondContact OD1-ND2 3.46Å; E671-N674 PolarHBondContact O-N 3.44Å; N674-L678 VanDerWaalsContact O-CB 3.32Å; N674-L678 WeakPolarHBondContact O-CB 3.24Å
675	L	74.8	Confident	71	Confident	49 Å²	49	66.9 Å²	66.9	26%	0.257	33%	0.334	S	S	.	.	H	α-helix	trans	-68.3	-51.9	177.4	-159	168.3	0	0	0	111.4	L641 E671 S672 K673 F679	L641-L675 HydrophobicContact CD2-CD1 4.15Å; E671-L675 WeakPolarHBondContact O-CB 3.49Å; E671-L675 PolarHBondContact O-N 2.91Å; S672-L675 PolarHBondContact O-N 3.38Å; K673-L675 VanDerWaalsContact C-N 3.3Å; K673-L675 PolarHBondContact O-N 3.33Å; L675-F679 PolarHBondContact O-N 3.31Å
676	F	74.5	Confident	69.1	Low	12 Å²	12	68.7 Å²	68.7	5%	0.053	34%	0.338	C	S	.	.	H	α-helix	trans	-87.5	-28.9	-170.8	-73.8	-73.2	0	0	0	115	F645 W648 S672 K673 L678 F679 Y680	F645-F676 HydrophobicContact CB-CE1 4.38Å; F645-F676 HydrophobicContact CB-CE2 4.01Å; F645-F676 HydrophobicContact CB-CZ 3.8Å; F645-F676 HydrophobicContact CD2-CD1 4.02Å; F645-F676 AromaticContact CD2-CE1 3.75Å; F645-F676 HydrophobicContact CD2-CE1 3.75Å; F645-F676 HydrophobicContact CD2-CZ 4.05Å; F645-F676 HydrophobicContact CG-CZ 4.45Å; W648-F676 HydrophobicContact CB-CB 4.13Å; W648-F676 HydrophobicContact CB-CD2 3.97Å; W648-F676 HydrophobicContact CB-CG 4.35Å; W648-F676 HydrophobicContact CD2-CB 3.34Å; W648-F676 HydrophobicContact CD2-CG 4.09Å; W648-F676 HydrophobicContact CE3-CB 3.75Å; W648-F676 HydrophobicContact CE3-CG 4.12Å; W648-F676 HydrophobicContact CG-CB 3.51Å; W648-F676 HydrophobicContact CG-CD2 4.3Å; W648-F676 HydrophobicContact CG-CG 4.2Å; W648-F676 HydrophobicContact CZ2-CB 4.28Å; W648-F676 HydrophobicContact CZ3-CB 4.38Å; S672-F676 WeakPolarHBondContact O-CD2 3.1Å; S672-F676 PolarHBondContact O-N 3.37Å; K673-F676 PolarHBondContact O-N 2.82Å; F676-L678 VanDerWaalsContact C-N 3.31Å; F676-L678 PolarHBondContact O-N 3.15Å; F676-F679 AromaticContact CD1-CD1 3.98Å; F676-F679 HydrophobicContact CD1-CD1 3.98Å; F676-F679 WeakPolarHBondContact O-CB 3.28Å; F676-F679 PolarHBondContact O-N 2.9Å; F676-F679 VanDerWaalsContact O-N 3.16Å; F676-Y680 PolarHBondContact O-N 3.45Å
677	S	69.5	Low	67.6	Low	31 Å²	31	66.1 Å²	66.1	22%	0.217	32%	0.318	C	S	.	.	H	α-helix	trans	-66.3	-35	170.7	-60.6	0	0	0	0	111.7	K673 F679 Y680 E681	K673-S677 WeakPolarHBondContact O-CB 3.47Å; K673-S677 PolarHBondContact O-N 3.27Å; K673-S677 PolarHBondContact O-OG 3.46Å; K673-S677 VanDerWaalsContact O-OG 3.11Å; S677-F679 VanDerWaalsContact C-N 3.31Å; S677-F679 PolarHBondContact O-N 3.26Å; S677-Y680 PolarHBondContact O-N 3.2Å; S677-E681 PolarHBondContact O-N 3.39Å
678	L	63.1	Low	65.7	Low	99 Å²	99	64.8 Å²	64.8	52%	0.518	32%	0.318	S	S	.	.	H	α-helix	trans	-69.6	-27.8	172.8	-164.6	111	0	0	0	112.4	N674 F676 R682	N674-L678 VanDerWaalsContact O-CB 3.32Å; N674-L678 WeakPolarHBondContact O-CB 3.24Å; F676-L678 VanDerWaalsContact C-N 3.31Å; F676-L678 PolarHBondContact O-N 3.15Å; L678-R682 WeakPolarHBondContact O-CB 3.37Å; L678-R682 WeakPolarHBondContact O-CD 3.22Å; L678-R682 WeakPolarHBondContact O-CG 3.39Å; L678-R682 PolarHBondContact O-N 3.44Å
679	F	63.1	Low	63.5	Low	12 Å²	12	72 Å²	72	5%	0.053	35%	0.345	C	S	.	.	H	α-helix	trans	-72	-44.6	170.6	172.5	-121.3	0	0	0	111.8	L675 F676 S677 R682 I683 L701 W869 L873 L876	L675-F679 PolarHBondContact O-N 3.31Å; F676-F679 AromaticContact CD1-CD1 3.98Å; F676-F679 HydrophobicContact CD1-CD1 3.98Å; F676-F679 WeakPolarHBondContact O-CB 3.28Å; F676-F679 PolarHBondContact O-N 2.9Å; F676-F679 VanDerWaalsContact O-N 3.16Å; S677-F679 VanDerWaalsContact C-N 3.31Å; S677-F679 PolarHBondContact O-N 3.26Å; F679-R682 WeakPolarHBondContact O-CB 3.5Å; F679-R682 PolarHBondContact O-N 2.97Å; F679-R682 VanDerWaalsContact O-N 3.17Å; F679-I683 HydrophobicContact CD1-CD1 4.08Å; F679-I683 HydrophobicContact CD2-CD1 4.11Å; F679-I683 HydrophobicContact CD2-CG1 4.37Å; F679-I683 HydrophobicContact CE1-CD1 3.61Å; F679-I683 HydrophobicContact CE2-CD1 3.66Å; F679-I683 HydrophobicContact CE2-CG1 4.1Å; F679-I683 HydrophobicContact CG-CD1 4.33Å; F679-I683 HydrophobicContact CZ-CD1 3.4Å; F679-I683 HydrophobicContact CZ-CG1 4.32Å; F679-I683 PolarHBondContact O-N 3.29Å; F679-L701 HydrophobicContact CD1-CD2 4.49Å; F679-L701 HydrophobicContact CE1-CD2 4.35Å; F679-W869 HydrophobicContact CB-CH2 4Å; F679-W869 HydrophobicContact CB-CZ2 4.12Å; F679-W869 AromaticContact CD2-CH2 3.71Å; F679-W869 HydrophobicContact CD2-CH2 3.71Å; F679-W869 AromaticContact CD2-CZ2 3.5Å; F679-W869 HydrophobicContact CD2-CZ2 3.5Å; F679-W869 HydrophobicContact CE2-CH2 4.45Å; F679-W869 HydrophobicContact CE2-CZ2 4.31Å; F679-W869 HydrophobicContact CG-CH2 4.08Å; F679-W869 HydrophobicContact CG-CZ2 4.19Å; F679-L873 HydrophobicContact CE2-CD1 3.99Å; F679-L876 HydrophobicContact CE2-CD1 4.18Å; F679-L876 HydrophobicContact CZ-CD1 3.67Å
680	Y	65.5	Low	61.3	Low	4 Å²	4	73.6 Å²	73.6	2%	0.016	36%	0.356	C	S	.	.	H	α-helix	trans	-57.8	-51.3	176.5	175.1	-109.5	0	0	0	112.1	F676 S677 R682 I683 K684 Y698 L701 E702 N705	F676-Y680 PolarHBondContact O-N 3.45Å; S677-Y680 PolarHBondContact O-N 3.2Å; Y680-R682 VanDerWaalsContact C-N 3.26Å; Y680-R682 PolarHBondContact O-N 3.25Å; Y680-I683 PolarHBondContact O-N 3.33Å; Y680-I683 VanDerWaalsContact O-N 3.08Å; Y680-K684 HydrophobicContact CE1-CD 4.15Å; Y680-K684 WeakPolarHBondContact O-CB 3.43Å; Y680-K684 PolarHBondContact O-N 3.35Å; Y680-Y698 HydrophobicContact CD2-CE2 4.49Å; Y680-Y698 HydrophobicContact CE2-CD2 4.45Å; Y680-Y698 AromaticContact CE2-CE2 3.78Å; Y680-Y698 HydrophobicContact CE2-CE2 3.78Å; Y680-Y698 AromaticContact CE2-CZ 3.87Å; Y680-Y698 AromaticContact CZ-CZ 3.96Å; Y680-Y698 PolarHBondContact OH-OH 3.49Å; Y680-L701 HydrophobicContact CD2-CB 4.13Å; Y680-L701 HydrophobicContact CD2-CD2 4.12Å; Y680-L701 HydrophobicContact CE2-CB 4.33Å; Y680-E702 HydrophobicContact CE2-CB 4.09Å; Y680-E702 WeakPolarHBondContact OH-CA 3.23Å; Y680-E702 VanDerWaalsContact OH-CB 3.28Å; Y680-E702 WeakPolarHBondContact OH-CB 3.35Å; Y680-E702 VanDerWaalsContact OH-CG 3.24Å; Y680-E702 WeakPolarHBondContact OH-CG 3.17Å; Y680-E702 PolarHBondContact OH-OE1 3.28Å; Y680-N705 HydrophobicContact CD1-CB 4.13Å; Y680-N705 HydrophobicContact CD2-CB 4.47Å; Y680-N705 HydrophobicContact CE1-CB 4.16Å; Y680-N705 WeakPolarHBondContact CE1-ND2 3.37Å; Y680-N705 HydrophobicContact CE2-CB 4.5Å; Y680-N705 HydrophobicContact CG-CB 4.28Å
681	E	59.4	Low	59.4	Low	83 Å²	83	72 Å²	72	39%	0.388	35%	0.35	S	S	.	.	H	α-helix	trans	-62.9	-32	176.9	-70.6	-61.9	136.1	0	0	112.3	S677 K684 M685	S677-E681 PolarHBondContact O-N 3.39Å; E681-K684 WeakPolarHBondContact OE1-CD 3.38Å; E681-K684 IonicContact OE1-NZ 3.26Å; E681-K684 PolarHBondContact OE1-NZ 3.19Å; E681-K684 WeakPolarHBondContact OE2-CD 3.3Å; E681-K684 IonicContact OE2-NZ 2.64Å; E681-K684 PolarHBondContact OE2-NZ 3.2Å; E681-M685 VanDerWaalsContact O-CB 3.3Å; E681-M685 WeakPolarHBondContact O-CB 3.48Å; E681-M685 WeakPolarHBondContact O-CG 3.38Å; E681-M685 PolarHBondContact O-N 2.83Å
682	R	55.5	Low	57.5	Low	111 Å²	111	72.9 Å²	72.9	42%	0.419	36%	0.362	S	S	.	.	H	α-helix	trans	-69.8	-31.4	173.3	-78.4	173.7	173.5	-168.4	-1.6	113.6	L678 F679 Y680	L678-R682 WeakPolarHBondContact O-CB 3.37Å; L678-R682 WeakPolarHBondContact O-CD 3.22Å; L678-R682 WeakPolarHBondContact O-CG 3.39Å; L678-R682 PolarHBondContact O-N 3.44Å; F679-R682 WeakPolarHBondContact O-CB 3.5Å; F679-R682 PolarHBondContact O-N 2.97Å; F679-R682 VanDerWaalsContact O-N 3.17Å; Y680-R682 VanDerWaalsContact C-N 3.26Å; Y680-R682 PolarHBondContact O-N 3.25Å
683	I	57.4	Low	55.4	Low	18 Å²	18	74 Å²	74	9%	0.092	37%	0.37	C	S	.	.	H	α-helix	trans	-70.8	-51.2	171	-72	168.8	0	0	0	109.8	F679 Y680 M685 R686 N687 F697 Y698 L701	F679-I683 HydrophobicContact CD1-CD1 4.08Å; F679-I683 HydrophobicContact CD2-CD1 4.11Å; F679-I683 HydrophobicContact CD2-CG1 4.37Å; F679-I683 HydrophobicContact CE1-CD1 3.61Å; F679-I683 HydrophobicContact CE2-CD1 3.66Å; F679-I683 HydrophobicContact CE2-CG1 4.1Å; F679-I683 HydrophobicContact CG-CD1 4.33Å; F679-I683 HydrophobicContact CZ-CD1 3.4Å; F679-I683 HydrophobicContact CZ-CG1 4.32Å; F679-I683 PolarHBondContact O-N 3.29Å; Y680-I683 PolarHBondContact O-N 3.33Å; Y680-I683 VanDerWaalsContact O-N 3.08Å; I683-M685 VanDerWaalsContact C-N 3.29Å; I683-M685 PolarHBondContact O-N 3.06Å; I683-R686 CarbonylContact O-C 3.15Å; I683-R686 WeakPolarHBondContact O-CA 3.39Å; I683-R686 PolarHBondContact O-N 3.44Å; I683-N687 WeakPolarHBondContact CG2-ND2 3.32Å; I683-N687 PolarHBondContact O-N 2.94Å; I683-F697 HydrophobicContact CD1-CE1 4.4Å; I683-Y698 HydrophobicContact CG2-CD2 3.98Å; I683-Y698 HydrophobicContact CG2-CE2 4.36Å; I683-L701 HydrophobicContact CD1-CD2 4.19Å
684	K	57	Low	53.9	Low	91 Å²	91	73.6 Å²	73.6	40%	0.396	37%	0.369	S	S	.	.	H	α-helix	trans	-52.4	-44.1	178.1	179.4	174.2	168.8	-150.4	0	112.5	Y680 E681 R686 N687 Y698	Y680-K684 HydrophobicContact CE1-CD 4.15Å; Y680-K684 WeakPolarHBondContact O-CB 3.43Å; Y680-K684 PolarHBondContact O-N 3.35Å; E681-K684 WeakPolarHBondContact OE1-CD 3.38Å; E681-K684 IonicContact OE1-NZ 3.26Å; E681-K684 PolarHBondContact OE1-NZ 3.19Å; E681-K684 WeakPolarHBondContact OE2-CD 3.3Å; E681-K684 IonicContact OE2-NZ 2.64Å; E681-K684 PolarHBondContact OE2-NZ 3.2Å; K684-R686 VanDerWaalsContact C-N 3.28Å; K684-R686 PolarHBondContact O-N 3.09Å; K684-N687 PolarHBondContact O-N 3Å; K684-Y698 HydrophobicContact CB-CE2 3.93Å; K684-Y698 WeakPolarHBondContact CD-OH 3.05Å; K684-Y698 HydrophobicContact CG-CE2 4.44Å; K684-Y698 VanDerWaalsContact CG-OH 3.3Å; K684-Y698 WeakPolarHBondContact CG-OH 3.22Å
685	M	49.5	Very low	52.6	Low	156 Å²	156	73 Å²	73	77%	0.768	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-24	174.8	-73.9	-91	-81.4	0	0	114.4	E681 I683	E681-M685 VanDerWaalsContact O-CB 3.3Å; E681-M685 WeakPolarHBondContact O-CB 3.48Å; E681-M685 WeakPolarHBondContact O-CG 3.38Å; E681-M685 PolarHBondContact O-N 2.83Å; I683-M685 VanDerWaalsContact C-N 3.29Å; I683-M685 PolarHBondContact O-N 3.06Å
686	R	47.9	Very low	51.1	Low	159 Å²	159	73.9 Å²	73.9	60%	0.6	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-29.5	176.9	-74.9	-175.4	170	-154.5	-2.9	113.6	I683 K684 S688	I683-R686 CarbonylContact O-C 3.15Å; I683-R686 WeakPolarHBondContact O-CA 3.39Å; I683-R686 PolarHBondContact O-N 3.44Å; K684-R686 VanDerWaalsContact C-N 3.28Å; K684-R686 PolarHBondContact O-N 3.09Å; R686-S688 PolarHBondContact O-N 3.01Å; R686-S688 VanDerWaalsContact O-N 3.13Å
687	N	49.7	Very low	49.8	Very low	50 Å²	50	75.7 Å²	75.7	27%	0.267	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-78.9	12.2	-172.4	-82.3	7	0	0	0	115.2	I683 K684 Y689	I683-N687 WeakPolarHBondContact CG2-ND2 3.32Å; I683-N687 PolarHBondContact O-N 2.94Å; K684-N687 PolarHBondContact O-N 3Å; N687-Y689 PolarHBondContact O-N 2.86Å; N687-Y689 VanDerWaalsContact O-N 3.15Å
688	S	40.6	Very low	49.2	Very low	90 Å²	90	75.9 Å²	75.9	63%	0.629	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-64.2	-11	170	50.9	0	0	0	0	113.9	R686	R686-S688 PolarHBondContact O-N 3.01Å; R686-S688 VanDerWaalsContact O-N 3.13Å
689	Y	35	Very low	48.9	Very low	202 Å²	202	76.3 Å²	76.3	79%	0.792	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-127.8	67.6	176.2	-63.1	-88.2	0	0	0	111.5	N687	N687-Y689 PolarHBondContact O-N 2.86Å; N687-Y689 VanDerWaalsContact O-N 3.15Å
690	C	37.3	Very low	48.5	Very low	59 Å²	59	81.9 Å²	81.9	40%	0.399	40%	0.396	S	S	.	.			trans	-145	156.8	178.1	-94.8	0	0	0	0	114.8	N694	C690-N694 HydrophobicContact CB-CB 4.07Å; C690-N694 PolarHBondContact SG-ND2 2.76Å
691	T	38.3	Very low	48.4	Very low	61 Å²	61	82.1 Å²	82.1	37%	0.374	40%	0.397	S	S	.	.			trans	-78	174.1	-177.3	52.5	0	0	0	0	113.1	S693 N694 I886	T691-S693 PolarHBondContact O-N 2.86Å; T691-S693 PolarHBondContact OG1-OG 2.93Å; T691-N694 PolarHBondContact O-N 3.42Å; T691-I886 VanDerWaalsContact OG1-CD1 3.23Å; T691-I886 WeakPolarHBondContact OG1-CD1 3.29Å
692	T	37	Very low	48.7	Very low	114 Å²	114	81.4 Å²	81.4	70%	0.699	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-35.4	173.6	39.6	0	0	0	0	113.9	Q695	T692-Q695 VanDerWaalsContact O-CB 3.24Å; T692-Q695 WeakPolarHBondContact O-CB 3.48Å; T692-Q695 PolarHBondContact O-N 3.16Å
693	S	37.4	Very low	49	Very low	25 Å²	25	79.8 Å²	79.8	18%	0.175	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-51.5	-177	5.3	0	0	0	0	113	T691 Q695 S696 N884	T691-S693 PolarHBondContact O-N 2.86Å; T691-S693 PolarHBondContact OG1-OG 2.93Å; S693-Q695 PolarHBondContact O-N 3.15Å; S693-S696 PolarHBondContact O-N 2.89Å; S693-S696 VanDerWaalsContact O-N 3.09Å; S693-S696 PolarHBondContact O-OG 3.08Å; S693-N884 WeakPolarHBondContact CB-OD1 3.32Å
694	N	44.1	Very low	49.2	Very low	18 Å²	18	79.3 Å²	79.3	10%	0.096	39%	0.394	C	S	.	.	H	α-helix	trans	-64	-11.5	176.6	-87.2	-16.7	0	0	0	113.7	C690 T691 S696 Y698	C690-N694 HydrophobicContact CB-CB 4.07Å; C690-N694 PolarHBondContact SG-ND2 2.76Å; T691-N694 PolarHBondContact O-N 3.42Å; N694-S696 VanDerWaalsContact C-N 3.34Å; N694-Y698 WeakPolarHBondContact O-CB 3.4Å; N694-Y698 PolarHBondContact O-N 3.29Å; N694-Y698 VanDerWaalsContact O-N 3.15Å
695	Q	47.5	Very low	49.7	Very low	90 Å²	90	75.6 Å²	75.6	42%	0.421	38%	0.379	S	S	.	.	H	α-helix	trans	-72.3	-21.4	173.5	-55.1	-173.6	1.1	0	0	113.5	T692 S693 K699	T692-Q695 VanDerWaalsContact O-CB 3.24Å; T692-Q695 WeakPolarHBondContact O-CB 3.48Å; T692-Q695 PolarHBondContact O-N 3.16Å; S693-Q695 PolarHBondContact O-N 3.15Å; Q695-K699 HydrophobicContact CB-CD 4.49Å; Q695-K699 WeakPolarHBondContact O-CB 3.44Å; Q695-K699 VanDerWaalsContact O-CD 3.27Å; Q695-K699 WeakPolarHBondContact O-CD 3.44Å; Q695-K699 WeakPolarHBondContact O-CG 3.25Å; Q695-K699 PolarHBondContact O-N 3.38Å
696	S	43	Very low	50.4	Low	67 Å²	67	71.6 Å²	71.6	47%	0.469	36%	0.36	S	S	.	.	H	α-helix	trans	-72.1	-55.3	-180	61.7	0	0	0	0	111	S693 N694 Y698 K699 R700	S693-S696 PolarHBondContact O-N 2.89Å; S693-S696 VanDerWaalsContact O-N 3.09Å; S693-S696 PolarHBondContact O-OG 3.08Å; N694-S696 VanDerWaalsContact C-N 3.34Å; S696-Y698 VanDerWaalsContact C-N 3.33Å; S696-Y698 PolarHBondContact O-N 3.22Å; S696-K699 PolarHBondContact O-N 3Å; S696-R700 PolarHBondContact O-N 2.9Å
697	F	47.2	Very low	51	Low	50 Å²	50	66.5 Å²	66.5	22%	0.219	35%	0.345	C	S	.	.	H	α-helix	trans	-57.6	-44.7	172.5	175.6	-103	0	0	0	111.6	H610 I683 R700 L701	H610-F697 HydrophobicContact CB-CE2 4.35Å; I683-F697 HydrophobicContact CD1-CE1 4.4Å; F697-R700 PolarHBondContact O-N 2.95Å; F697-L701 HydrophobicContact CD2-CD1 4.23Å; F697-L701 HydrophobicContact CE1-CD1 4Å; F697-L701 HydrophobicContact CE2-CD1 3.62Å; F697-L701 HydrophobicContact CZ-CD1 3.5Å; F697-L701 PolarHBondContact O-N 3.48Å
698	Y	56.8	Low	51.6	Low	35 Å²	35	64.2 Å²	64.2	14%	0.137	33%	0.333	C	S	.	.	H	α-helix	trans	-63.3	-42.5	176.5	-175.2	-89.8	0	0	0	112.1	Y680 I683 K684 N694 S696 R700 L701 E702	Y680-Y698 HydrophobicContact CD2-CE2 4.49Å; Y680-Y698 HydrophobicContact CE2-CD2 4.45Å; Y680-Y698 AromaticContact CE2-CE2 3.78Å; Y680-Y698 HydrophobicContact CE2-CE2 3.78Å; Y680-Y698 AromaticContact CE2-CZ 3.87Å; Y680-Y698 AromaticContact CZ-CZ 3.96Å; Y680-Y698 PolarHBondContact OH-OH 3.49Å; I683-Y698 HydrophobicContact CG2-CD2 3.98Å; I683-Y698 HydrophobicContact CG2-CE2 4.36Å; K684-Y698 HydrophobicContact CB-CE2 3.93Å; K684-Y698 WeakPolarHBondContact CD-OH 3.05Å; K684-Y698 HydrophobicContact CG-CE2 4.44Å; K684-Y698 VanDerWaalsContact CG-OH 3.3Å; K684-Y698 WeakPolarHBondContact CG-OH 3.22Å; N694-Y698 WeakPolarHBondContact O-CB 3.4Å; N694-Y698 PolarHBondContact O-N 3.29Å; N694-Y698 VanDerWaalsContact O-N 3.15Å; S696-Y698 VanDerWaalsContact C-N 3.33Å; S696-Y698 PolarHBondContact O-N 3.22Å; Y698-R700 PolarHBondContact O-N 3.17Å; Y698-L701 PolarHBondContact O-N 2.84Å; Y698-E702 HydrophobicContact CD1-CB 4.42Å; Y698-E702 HydrophobicContact CE1-CB 4.16Å; Y698-E702 HydrophobicContact CE1-CG 4.47Å; Y698-E702 WeakPolarHBondContact CE1-OE2 3.32Å; Y698-E702 WeakPolarHBondContact O-CB 3.24Å; Y698-E702 PolarHBondContact O-N 3.06Å
699	K	57.6	Low	52.6	Low	108 Å²	108	63 Å²	63	47%	0.47	32%	0.319	S	S	.	.	H	α-helix	trans	-63.5	-37.5	174.9	-78.3	164.4	-168.5	157.7	0	112.4	Q695 S696 E702 T703	Q695-K699 HydrophobicContact CB-CD 4.49Å; Q695-K699 WeakPolarHBondContact O-CB 3.44Å; Q695-K699 VanDerWaalsContact O-CD 3.27Å; Q695-K699 WeakPolarHBondContact O-CD 3.44Å; Q695-K699 WeakPolarHBondContact O-CG 3.25Å; Q695-K699 PolarHBondContact O-N 3.38Å; S696-K699 PolarHBondContact O-N 3Å; K699-E702 PolarHBondContact O-N 3.37Å; K699-T703 WeakPolarHBondContact O-CB 3.38Å; K699-T703 PolarHBondContact O-N 2.87Å; K699-T703 PolarHBondContact O-OG1 2.72Å
700	R	54.6	Low	53.4	Low	129 Å²	129	59.9 Å²	59.9	49%	0.487	31%	0.313	S	S	.	.	H	α-helix	trans	-65.2	-47	174	-70.7	-172.4	-178.2	-137.3	7.4	111.2	D614 S696 F697 Y698 E702 T703 V704	D614-R700 IonicContact OD1-CZ 3.44Å; D614-R700 IonicContact OD1-NH1 3.64Å; D614-R700 PolarHBondContact OD1-NH1 3.48Å; S696-R700 PolarHBondContact O-N 2.9Å; F697-R700 PolarHBondContact O-N 2.95Å; Y698-R700 PolarHBondContact O-N 3.17Å; R700-E702 VanDerWaalsContact C-N 3.33Å; R700-E702 PolarHBondContact O-N 3.02Å; R700-T703 PolarHBondContact O-N 3.18Å; R700-V704 WeakPolarHBondContact O-CG2 3.24Å; R700-V704 PolarHBondContact O-N 3.19Å
701	L	62.9	Low	53.8	Low	9 Å²	9	60.4 Å²	60.4	5%	0.047	31%	0.311	C	S	.	.	H	α-helix	trans	-63.4	-37.1	174.3	-111	89.5	0	0	0	112.9	W648 F679 Y680 I683 F697 Y698 N705	W648-L701 HydrophobicContact CH2-CD2 4.18Å; W648-L701 HydrophobicContact CH2-CG 4.06Å; W648-L701 HydrophobicContact CZ3-CG 4.42Å; F679-L701 HydrophobicContact CD1-CD2 4.49Å; F679-L701 HydrophobicContact CE1-CD2 4.35Å; Y680-L701 HydrophobicContact CD2-CB 4.13Å; Y680-L701 HydrophobicContact CD2-CD2 4.12Å; Y680-L701 HydrophobicContact CE2-CB 4.33Å; I683-L701 HydrophobicContact CD1-CD2 4.19Å; F697-L701 HydrophobicContact CD2-CD1 4.23Å; F697-L701 HydrophobicContact CE1-CD1 4Å; F697-L701 HydrophobicContact CE2-CD1 3.62Å; F697-L701 HydrophobicContact CZ-CD1 3.5Å; F697-L701 PolarHBondContact O-N 3.48Å; Y698-L701 PolarHBondContact O-N 2.84Å; L701-N705 WeakPolarHBondContact O-CB 3.47Å; L701-N705 PolarHBondContact O-N 3.16Å
702	E	66	Low	54.1	Low	68 Å²	68	59.9 Å²	59.9	32%	0.318	31%	0.306	S	S	.	.	H	α-helix	trans	-65.9	-44.7	176.1	178.1	158.7	-120.3	0	0	110.8	Y680 Y698 K699 R700 N705 N706	Y680-E702 HydrophobicContact CE2-CB 4.09Å; Y680-E702 WeakPolarHBondContact OH-CA 3.23Å; Y680-E702 VanDerWaalsContact OH-CB 3.28Å; Y680-E702 WeakPolarHBondContact OH-CB 3.35Å; Y680-E702 VanDerWaalsContact OH-CG 3.24Å; Y680-E702 WeakPolarHBondContact OH-CG 3.17Å; Y680-E702 PolarHBondContact OH-OE1 3.28Å; Y698-E702 HydrophobicContact CD1-CB 4.42Å; Y698-E702 HydrophobicContact CE1-CB 4.16Å; Y698-E702 HydrophobicContact CE1-CG 4.47Å; Y698-E702 WeakPolarHBondContact CE1-OE2 3.32Å; Y698-E702 WeakPolarHBondContact O-CB 3.24Å; Y698-E702 PolarHBondContact O-N 3.06Å; K699-E702 PolarHBondContact O-N 3.37Å; R700-E702 VanDerWaalsContact C-N 3.33Å; R700-E702 PolarHBondContact O-N 3.02Å; E702-N705 PolarHBondContact O-N 2.74Å; E702-N706 WeakPolarHBondContact CG-ND2 3.3Å; E702-N706 WeakPolarHBondContact O-CB 3.34Å; E702-N706 PolarHBondContact O-N 3.02Å; E702-N706 PolarHBondContact O-ND2 2.69Å; E702-N706 VanDerWaalsContact O-ND2 3.13Å; E702-N706 PolarHBondContact O-OD1 3.04Å
703	T	63.1	Low	54.2	Low	77 Å²	77	61.2 Å²	61.2	47%	0.472	31%	0.309	S	S	.	.	H	α-helix	trans	-59.9	-49.4	172.7	-67	0	0	0	0	111.5	K699 R700 N706 I707	K699-T703 WeakPolarHBondContact O-CB 3.38Å; K699-T703 PolarHBondContact O-N 2.87Å; K699-T703 PolarHBondContact O-OG1 2.72Å; R700-T703 PolarHBondContact O-N 3.18Å; T703-N706 PolarHBondContact O-N 3.09Å; T703-I707 HydrophobicContact CG2-CD1 3.69Å; T703-I707 HydrophobicContact CG2-CG1 4.4Å; T703-I707 WeakPolarHBondContact O-CB 3.47Å; T703-I707 VanDerWaalsContact O-CG1 3.27Å; T703-I707 WeakPolarHBondContact O-CG1 3.43Å; T703-I707 PolarHBondContact O-N 3.15Å
704	V	60	Low	53.9	Low	8 Å²	8	68.1 Å²	68.1	5%	0.048	34%	0.336	C	S	.	.	H	α-helix	trans	-59.8	-48.6	177.2	169.9	0	0	0	0	111.5	T613 I616 W648 R700 N706 I707 S708	T613-V704 HydrophobicContact CG2-CG2 4.17Å; I616-V704 HydrophobicContact CD1-CG2 3.96Å; W648-V704 HydrophobicContact CE3-CG1 4.15Å; W648-V704 HydrophobicContact CH2-CB 4.45Å; W648-V704 HydrophobicContact CH2-CG1 3.85Å; W648-V704 HydrophobicContact CZ2-CG1 4.27Å; W648-V704 HydrophobicContact CZ3-CG1 3.78Å; R700-V704 WeakPolarHBondContact O-CG2 3.24Å; R700-V704 PolarHBondContact O-N 3.19Å; V704-N706 VanDerWaalsContact C-N 3.31Å; V704-N706 PolarHBondContact O-N 3.22Å; V704-I707 PolarHBondContact O-N 2.84Å; V704-S708 PolarHBondContact O-N 2.96Å
705	N	67.1	Low	53.2	Low	12 Å²	12	73.2 Å²	73.2	6%	0.064	36%	0.361	C	S	.	.	H	α-helix	trans	-60.1	-41.1	175.8	176.8	82.4	0	0	0	111.6	W648 Y680 L701 E702 N709	W648-N705 HydrophobicContact CZ2-CB 4.1Å; Y680-N705 HydrophobicContact CD1-CB 4.13Å; Y680-N705 HydrophobicContact CD2-CB 4.47Å; Y680-N705 HydrophobicContact CE1-CB 4.16Å; Y680-N705 WeakPolarHBondContact CE1-ND2 3.37Å; Y680-N705 HydrophobicContact CE2-CB 4.5Å; Y680-N705 HydrophobicContact CG-CB 4.28Å; L701-N705 WeakPolarHBondContact O-CB 3.47Å; L701-N705 PolarHBondContact O-N 3.16Å; E702-N705 PolarHBondContact O-N 2.74Å; N705-N709 PolarHBondContact ND2-ND2 2.89Å; N705-N709 VanDerWaalsContact ND2-ND2 3.18Å; N705-N709 VanDerWaalsContact O-CB 3.31Å; N705-N709 WeakPolarHBondContact O-CB 3.28Å; N705-N709 PolarHBondContact O-N 3.09Å; N705-N709 PolarHBondContact O-ND2 3.12Å; N705-N709 PolarHBondContact OD1-ND2 2.81Å
706	N	64.2	Low	52.1	Low	72 Å²	72	74 Å²	74	39%	0.385	37%	0.374	S	S	.	.	H	α-helix	trans	-69.7	-39.4	179.2	-69.4	-17.6	0	0	0	111.5	E702 T703 V704 N709 M710	E702-N706 WeakPolarHBondContact CG-ND2 3.3Å; E702-N706 WeakPolarHBondContact O-CB 3.34Å; E702-N706 PolarHBondContact O-N 3.02Å; E702-N706 PolarHBondContact O-ND2 2.69Å; E702-N706 VanDerWaalsContact O-ND2 3.13Å; E702-N706 PolarHBondContact O-OD1 3.04Å; T703-N706 PolarHBondContact O-N 3.09Å; V704-N706 VanDerWaalsContact C-N 3.31Å; V704-N706 PolarHBondContact O-N 3.22Å; N706-N709 PolarHBondContact O-N 3.38Å; N706-M710 VanDerWaalsContact O-CB 3.23Å; N706-M710 WeakPolarHBondContact O-CB 3.43Å; N706-M710 WeakPolarHBondContact O-CG 3.49Å; N706-M710 PolarHBondContact O-N 3.31Å
707	I	61.8	Low	51.2	Low	52 Å²	52	80.1 Å²	80.1	27%	0.267	40%	0.398	S	S	.	.	H	α-helix	trans	-62.1	-52	175.3	-70.3	165.4	0	0	0	110.4	T703 V704 N709 M710 M711	T703-I707 HydrophobicContact CG2-CD1 3.69Å; T703-I707 HydrophobicContact CG2-CG1 4.4Å; T703-I707 WeakPolarHBondContact O-CB 3.47Å; T703-I707 VanDerWaalsContact O-CG1 3.27Å; T703-I707 WeakPolarHBondContact O-CG1 3.43Å; T703-I707 PolarHBondContact O-N 3.15Å; V704-I707 PolarHBondContact O-N 2.84Å; I707-N709 VanDerWaalsContact C-N 3.34Å; I707-N709 PolarHBondContact O-N 2.74Å; I707-M710 PolarHBondContact O-N 2.89Å; I707-M710 VanDerWaalsContact O-N 3.16Å; I707-M711 WeakPolarHBondContact O-CG 3.2Å; I707-M711 PolarHBondContact O-N 3.29Å
708	S	61.8	Low	50.1	Low	3 Å²	3	82.5 Å²	82.5	2%	0.021	42%	0.421	C	S	.	.	H	α-helix	trans	-57.3	-45.7	177.2	177.8	0	0	0	0	111.6	D652 K673 V704 M710 M711 N712	D652-S708 WeakPolarHBondContact OD2-CB 2.87Å; D652-S708 PolarHBondContact OD2-OG 3.31Å; K673-S708 WeakPolarHBondContact CE-OG 3.39Å; V704-S708 PolarHBondContact O-N 2.96Å; S708-M710 PolarHBondContact O-N 3.46Å; S708-M711 PolarHBondContact O-N 3.49Å; S708-N712 VanDerWaalsContact O-CG 3.23Å; S708-N712 PolarHBondContact O-N 3.48Å; S708-N712 PolarHBondContact O-ND2 2.97Å
709	N	62.5	Low	48.5	Very low	65 Å²	65	88.1 Å²	88.1	35%	0.348	45%	0.453	S	S	.	.	H	α-helix	trans	-68.7	-32.1	177.8	-73.8	-55.1	0	0	0	113.6	N705 N706 I707 N713	N705-N709 PolarHBondContact ND2-ND2 2.89Å; N705-N709 VanDerWaalsContact ND2-ND2 3.18Å; N705-N709 VanDerWaalsContact O-CB 3.31Å; N705-N709 WeakPolarHBondContact O-CB 3.28Å; N705-N709 PolarHBondContact O-N 3.09Å; N705-N709 PolarHBondContact O-ND2 3.12Å; N705-N709 PolarHBondContact OD1-ND2 2.81Å; N706-N709 PolarHBondContact O-N 3.38Å; I707-N709 VanDerWaalsContact C-N 3.34Å; I707-N709 PolarHBondContact O-N 2.74Å; N709-N713 PolarHBondContact O-ND2 3.37Å
710	M	51.4	Low	47.1	Very low	135 Å²	135	90 Å²	90	67%	0.665	47%	0.473	S	S	*	.	H	α-helix	trans	-72.3	-35.5	176	-78.1	177.6	65.3	0	0	112.5	N706 I707 S708 N713	N706-M710 VanDerWaalsContact O-CB 3.23Å; N706-M710 WeakPolarHBondContact O-CB 3.43Å; N706-M710 WeakPolarHBondContact O-CG 3.49Å; N706-M710 PolarHBondContact O-N 3.31Å; I707-M710 PolarHBondContact O-N 2.89Å; I707-M710 VanDerWaalsContact O-N 3.16Å; S708-M710 PolarHBondContact O-N 3.46Å; M710-N713 PolarHBondContact O-N 2.89Å
711	M	44.8	Very low	45.6	Very low	71 Å²	71	90.8 Å²	90.8	35%	0.35	49%	0.487	S	S	.	.	H	α-helix	trans	-66.1	-42.8	173.7	-69.5	-59.6	-149.5	0	0	111.8	D652 I707 S708 N713 K714	D652-M711 HydrophobicContact CB-CB 4.2Å; D652-M711 HydrophobicContact CB-CG 4.3Å; D652-M711 WeakPolarHBondContact O-CE 3.28Å; I707-M711 WeakPolarHBondContact O-CG 3.2Å; I707-M711 PolarHBondContact O-N 3.29Å; S708-M711 PolarHBondContact O-N 3.49Å; M711-N713 PolarHBondContact O-N 3.38Å; M711-N713 VanDerWaalsContact O-N 3.17Å; M711-K714 PolarHBondContact O-N 3.38Å
712	N	46.1	Very low	43.9	Very low	50 Å²	50	97.6 Å²	97.6	27%	0.267	52%	0.522	S	S	.	.	H	α-helix	trans	-56.9	-33.5	178.3	-65.7	-39.1	0	0	0	112.8	K673 S708 K714 I715	K673-N712 PolarHBondContact NZ-OD1 2.97Å; S708-N712 VanDerWaalsContact O-CG 3.23Å; S708-N712 PolarHBondContact O-N 3.48Å; S708-N712 PolarHBondContact O-ND2 2.97Å; N712-K714 PolarHBondContact O-N 3.02Å; N712-I715 PolarHBondContact O-N 2.84Å
713	N	38.7	Very low	42.1	Very low	142 Å²	142	101 Å²	101	76%	0.759	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	2.1	178.5	-74.2	-35.5	0	0	0	114.8	N709 M710 M711	N709-N713 PolarHBondContact O-ND2 3.37Å; M710-N713 PolarHBondContact O-N 2.89Å; M711-N713 PolarHBondContact O-N 3.38Å; M711-N713 VanDerWaalsContact O-N 3.17Å
714	K	30.8	Very low	40.3	Very low	170 Å²	170	104.8 Å²	104.8	74%	0.739	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	-3.3	170.8	-73.9	-177.6	175.4	174.9	0	114.1	M711 N712	M711-K714 PolarHBondContact O-N 3.38Å; N712-K714 PolarHBondContact O-N 3.02Å
715	I	28.5	Very low	38.8	Very low	124 Å²	124	110 Å²	110	64%	0.636	60%	0.597	S	S	*	*	S	Bend	trans	-74	123.4	171.8	-57.5	174.8	0	0	0	108.4	N712 M717	N712-I715 PolarHBondContact O-N 2.84Å; I715-M717 PolarHBondContact O-N 3.33Å
716	P	24.6	Very low	36.8	Very low	106 Å²	106	112.4 Å²	112.4	69%	0.688	62%	0.624	S	S	*	*			trans	-68.4	119.4	174.4	28.1	-32.8	0	0	0	109.8	S718	P716-S718 PolarHBondContact O-N 3.27Å
717	M	24	Very low	35	Very low	197 Å²	197	116.8 Å²	116.8	97%	0.97	65%	0.646	S	S	*	*			trans	-66.6	98.1	174	-86.2	-77.5	-165.4	0	0	110.7	I715	I715-M717 PolarHBondContact O-N 3.33Å
718	S	23.9	Very low	33.3	Very low	100 Å²	100	125.2 Å²	125.2	70%	0.699	68%	0.675	S	S	*	*			trans	-115.9	105.5	166.3	61	0	0	0	0	110.6	P716	P716-S718 PolarHBondContact O-N 3.27Å
719	D	23.7	Very low	31.5	Very low	153 Å²	153	132.7 Å²	132.7	82%	0.818	71%	0.714	S	S	*	*			trans	38.4	88.4	154.3	-57.8	-35.1	0	0	0	119.8
720	V	27.8	Very low	29.7	Very low	147 Å²	147	134.5 Å²	134.5	89%	0.891	73%	0.727	S	S	*	*			trans	-139	112.5	134.8	-179.1	0	0	0	0	109.6
721	N	23.4	Very low	28.6	Very low	145 Å²	145	134.1 Å²	134.1	78%	0.775	73%	0.728	S	S	*	*			trans	-82.1	144.9	155.8	-77	-70.8	0	0	0	108.7
722	I	27.6	Very low	27.6	Very low	153 Å²	153	135.2 Å²	135.2	79%	0.785	74%	0.742	S	S	*	*			trans	179.6	132.8	130.1	-95.1	155.5	0	0	0	111.8
723	D	28.7	Very low	26.7	Very low	140 Å²	140	140 Å²	140	75%	0.749	77%	0.766	S	S	*	*			trans	50.4	88.3	158.2	-58.6	-2.3	0	0	0	121.8
724	D	25	Very low	26.1	Very low	156 Å²	156	138.5 Å²	138.5	83%	0.834	77%	0.767	S	S	*	*			trans	-70.1	122.1	146.7	167.8	21.7	0	0	0	110	G726	D724-G726 PolarHBondContact OD1-N 3.2Å
725	S	28	Very low	25.6	Very low	118 Å²	118	135.8 Å²	135.8	83%	0.825	77%	0.769	S	S	*	*			trans	-145	62.9	165.8	56	0	0	0	0	113.7
726	G	25.4	Very low	25.8	Very low	61 Å²	61	134.7 Å²	134.7	63%	0.629	77%	0.771	S	S	*	*	S	Bend	trans	148.4	88	147.2	0	0	0	0	0	119	D724	D724-G726 PolarHBondContact OD1-N 3.2Å
727	L	27	Very low	25.9	Very low	164 Å²	164	136.2 Å²	136.2	86%	0.859	78%	0.778	S	S	*	*				-160.7	84.4	116.2	-109.1	169.6	0	0	0	112.3	L729	L727-L729 PolarHBondContact O-N 2.94Å; L727-L729 VanDerWaalsContact O-N 3.16Å
728	R	24.7	Very low	25.8	Very low	229 Å²	229	134.2 Å²	134.2	86%	0.864	77%	0.77	S	S	*	*			trans	-70.9	105.9	163.1	-84.9	-171.6	174.4	-168.8	-0.3	110.2
729	L	25.7	Very low	26.3	Very low	161 Å²	161	133.9 Å²	133.9	84%	0.843	77%	0.766	S	S	*	*			trans	-127.2	43.7	146.5	-108.4	170.1	0	0	0	111.9	L727	L727-L729 PolarHBondContact O-N 2.94Å; L727-L729 VanDerWaalsContact O-N 3.16Å
730	V	24.7	Very low	26.3	Very low	102 Å²	102	137.3 Å²	137.3	62%	0.618	77%	0.767	S	S	*	*			trans	-56.5	132.9	152.1	172	0	0	0	0	107.6
731	N	27	Very low	26.1	Very low	127 Å²	127	136.1 Å²	136.1	68%	0.679	76%	0.761	S	S	*	*			cis	-129.8	154	34	-85.4	-57.4	0	0	0	111.6
732	S	25.2	Very low	26.1	Very low	94 Å²	94	135 Å²	135	66%	0.657	76%	0.759	S	S	*	*				65.5	147.8	53.1	104.3	0	0	0	0	112.4
733	I	26	Very low	25.8	Very low	151 Å²	151	134.4 Å²	134.4	77%	0.774	76%	0.756	S	S	*	*			cis	-145.8	152.8	46.7	-65.5	171.1	0	0	0	107.5
734	S	26.5	Very low	25.5	Very low	111 Å²	111	134 Å²	134	78%	0.776	75%	0.754	S	S	*	*			cis	-143.8	150.4	14.4	23.1	0	0	0	0	113.8
735	S	21.2	Very low	25.4	Very low	112 Å²	112	131 Å²	131	78%	0.783	75%	0.745	S	S	*	*			trans	-117.8	-169.9	148.2	54.2	0	0	0	0	107.2
736	P	31.9	Very low	25.4	Very low	102 Å²	102	133.4 Å²	133.4	66%	0.662	74%	0.743	S	S	*	*			cis	-129.3	-177.7	-25.4	39.5	-24.7	0	0	0	112.6
737	T	26.1	Very low	25.3	Very low	138 Å²	138	136.1 Å²	136.1	85%	0.847	74%	0.743	S	S	*	*				-166.6	152.7	125	11.1	0	0	0	0	112.8
738	L	21.7	Very low	25.2	Very low	154 Å²	154	133.8 Å²	133.8	81%	0.806	73%	0.732	S	S	*	*			trans	-137.6	175.6	-179	-99.9	89.4	0	0	0	107.3
739	P	34.7	Very low	25.2	Very low	93 Å²	93	129.3 Å²	129.3	60%	0.604	73%	0.725	S	S	*	*			cis	-142.5	-165.3	-37.3	39.3	-21.1	0	0	0	113.1
740	R	23.7	Very low	25.2	Very low	226 Å²	226	127.8 Å²	127.8	85%	0.853	72%	0.718	S	S	*	*			trans	72.6	148.1	158.5	-69.8	178.5	175.7	178.5	-1.6	116.1
741	T	23	Very low	25.4	Very low	122 Å²	122	129.2 Å²	129.2	75%	0.748	72%	0.72	S	S	*	*			cis	-158.8	170.3	2.6	-1.5	0	0	0	0	112.8
742	V	24.7	Very low	25.3	Very low	121 Å²	121	129.1 Å²	129.1	73%	0.733	72%	0.72	S	S	*	*			trans	84.2	103.4	144.9	160.5	0	0	0	0	120.8
743	L	22.1	Very low	25.4	Very low	140 Å²	140	130.6 Å²	130.6	73%	0.733	72%	0.72	S	S	*	*			trans	60.4	124.4	131.8	-65.4	167	0	0	0	124.8
744	N	22.1	Very low	25.6	Very low	132 Å²	132	129.5 Å²	129.5	71%	0.706	72%	0.716	S	S	*	*				60.5	110.3	129.2	-69.8	6.5	0	0	0	123.4
745	S	21.9	Very low	25.6	Very low	92 Å²	92	130 Å²	130	64%	0.643	71%	0.71	S	S	*	*				81.8	158.7	118.5	79.9	0	0	0	0	120.4
746	H	27.5	Very low	26	Very low	170 Å²	170	135 Å²	135	79%	0.787	71%	0.711	S	S	*	*			trans	67.7	146.1	170.1	-65.1	87.6	0	0	0	117
747	N	24.6	Very low	25.7	Very low	118 Å²	118	137.2 Å²	137.2	63%	0.631	72%	0.718	S	S	*	*			cis	-160.2	156	-33.5	-149.4	-3	0	0	0	109.8
748	N	24.5	Very low	25.9	Very low	115 Å²	115	137.9 Å²	137.9	62%	0.615	72%	0.715	S	S	*	*			trans	48.5	133.6	147.5	-79.4	-16	0	0	0	123.2
749	N	25.7	Very low	26.2	Very low	134 Å²	134	137.4 Å²	137.4	72%	0.717	71%	0.713	S	S	*	*			trans	76.7	149.2	133.3	-69.6	-16.4	0	0	0	121
750	N	23.7	Very low	25.8	Very low	130 Å²	130	137.2 Å²	137.2	70%	0.695	72%	0.72	S	S	*	*			cis	-171.3	-173.6	-23.7	-159.2	-12.5	0	0	0	108.7
751	I	29.7	Very low	25.9	Very low	132 Å²	132	132.3 Å²	132.3	68%	0.677	72%	0.715	S	S	*	*			trans	83.1	93.2	152.5	-63.8	155.4	0	0	0	117.9
752	N	25.9	Very low	26.2	Very low	124 Å²	124	133.9 Å²	133.9	66%	0.663	72%	0.717	S	S	*	*				71.1	128.2	118	-64.4	-4.6	0	0	0	124.8
753	N	27	Very low	26.1	Very low	125 Å²	125	132.3 Å²	132.3	67%	0.668	72%	0.716	S	S	*	*				92.3	127.6	122.6	-77.1	-4.8	0	0	0	123.2
754	N	29	Very low	26.3	Very low	129 Å²	129	131.2 Å²	131.2	69%	0.69	72%	0.716	S	S	*	*			trans	73	146.4	134.9	-71	-26.3	0	0	0	120.4
755	N	26.4	Very low	26.6	Very low	121 Å²	121	130.6 Å²	130.6	65%	0.647	72%	0.717	S	S	*	*			cis	-172	155.5	-26.3	-142.6	-53.9	0	0	0	109.4
756	R	29.8	Very low	26.7	Very low	216 Å²	216	131.3 Å²	131.3	82%	0.815	72%	0.722	S	S	*	*			trans	68.8	132.2	168.1	-58.3	162.2	-170.5	177.7	0.5	115.3
757	N	25.9	Very low	26.8	Very low	149 Å²	149	128.8 Å²	128.8	80%	0.797	72%	0.718	S	S	*	*			cis	96.6	125.2	39.6	-77	18.7	0	0	0	113.3
758	I	30.3	Very low	27	Very low	153 Å²	153	131.3 Å²	131.3	79%	0.785	73%	0.726	S	S	*	*				173.9	119.5	129.9	-88.3	155.2	0	0	0	111.1
759	D	27.3	Very low	27.1	Very low	143 Å²	143	130.9 Å²	130.9	77%	0.765	73%	0.727	S	S	*	*			trans	33.6	121.4	145	-43.9	-27.6	0	0	0	121.3
760	A	26.8	Very low	27.1	Very low	90 Å²	90	131 Å²	131	74%	0.744	73%	0.734	S	S	*	*				100.2	164.2	66.8	0	0	0	0	0	112.1
761	T	25.8	Very low	27.3	Very low	122 Å²	122	130.4 Å²	130.4	75%	0.748	74%	0.739	S	S	*	*			cis	-158.7	178.1	14.3	-31.2	0	0	0	0	110.6
762	I	28.8	Very low	27.1	Very low	156 Å²	156	130 Å²	130	80%	0.8	74%	0.743	S	S	*	*			trans	75.8	137	166	-60.7	155.8	0	0	0	115
763	A	24.2	Very low	27	Very low	87 Å²	87	132.3 Å²	132.3	72%	0.719	76%	0.755	S	S	*	*			cis	100.7	149.2	12.4	0	0	0	0	0	115.6
764	T	26.2	Very low	27	Very low	118 Å²	118	131.8 Å²	131.8	72%	0.724	76%	0.756	S	S	*	*			cis	-148.6	177.3	15.9	57.6	0	0	0	0	114.5
765	T	27.4	Very low	26.8	Very low	118 Å²	118	132.5 Å²	132.5	72%	0.724	76%	0.759	S	S	*	*			trans	66.3	110.2	146.1	43.4	0	0	0	0	125.4
766	S	24.2	Very low	26.5	Very low	107 Å²	107	131.9 Å²	131.9	75%	0.748	76%	0.764	S	S	*	*				54.1	143.7	128.7	65	0	0	0	0	122.6
767	V	29.1	Very low	26.2	Very low	118 Å²	118	126.7 Å²	126.7	72%	0.715	76%	0.76	S	S	*	*				-170.4	153.9	62.1	160.4	0	0	0	0	111.8
768	H	28.5	Very low	26	Very low	171 Å²	171	130.6 Å²	130.6	79%	0.792	76%	0.764	S	S	*	*			trans	17	158.4	156.7	-62.2	-36.2	0	0	0	124.1
769	T	26.7	Very low	25.7	Very low	105 Å²	105	131.6 Å²	131.6	64%	0.644	76%	0.763	S	S	*	*			cis	-168.1	151.2	-3.2	19.6	0	0	0	0	112.1
770	T	26.2	Very low	25.6	Very low	138 Å²	138	129.7 Å²	129.7	85%	0.847	76%	0.756	S	S	*	*			trans	60.8	152.3	154.3	54.5	0	0	0	0	119.5
771	S	28.3	Very low	25.5	Very low	116 Å²	116	132.8 Å²	132.8	81%	0.811	76%	0.755	S	S	*	*			cis	-135.9	173.8	6.4	62.9	0	0	0	0	112.8
772	T	24.7	Very low	25.5	Very low	124 Å²	124	133.2 Å²	133.2	76%	0.761	75%	0.749	S	S	*	*			trans	-103.9	147.9	-169.1	50.4	0	0	0	0	114.6
773	L	25.5	Very low	25.3	Very low	173 Å²	173	132.7 Å²	132.7	91%	0.906	74%	0.743	S	S	*	*				-154.4	140.9	127.1	-110.2	167.1	0	0	0	111.3
774	V	25.9	Very low	25.5	Very low	114 Å²	114	134.2 Å²	134.2	69%	0.691	74%	0.739	S	S	*	*			trans	-158.3	143.5	-156	147.4	0	0	0	0	105.7
775	N	25.4	Very low	25.5	Very low	143 Å²	143	135.4 Å²	135.4	77%	0.765	74%	0.74	S	S	*	*			cis	-154.3	169.5	-1.4	-122.3	6.7	0	0	0	110.1
776	C	20.1	Very low	25.4	Very low	109 Å²	109	136.2 Å²	136.2	74%	0.736	74%	0.739	S	S	*	*			trans	-94.6	160.4	150.7	-79.8	0	0	0	0	111.1
777	S	22.4	Very low	25.4	Very low	107 Å²	107	137.5 Å²	137.5	75%	0.748	74%	0.737	S	S	*	*			trans	17.8	115.2	161.6	55	0	0	0	0	120
778	R	22.2	Very low	25.4	Very low	230 Å²	230	136.9 Å²	136.9	87%	0.868	73%	0.734	S	S	*	*				93.6	148.5	72.7	-134.7	178.6	-165.4	170.2	4.7	113.1
779	F	23.9	Very low	25.3	Very low	174 Å²	174	137.2 Å²	137.2	76%	0.763	73%	0.733	S	S	*	*			trans	86.6	103.1	169.1	-87.8	-101.5	0	0	0	121.4
780	V	25	Very low	25.4	Very low	104 Å²	104	139 Å²	139	63%	0.63	73%	0.732	S	S	*	*				69	107.3	126.4	178.6	0	0	0	0	120.8
781	E	24.3	Very low	25.3	Very low	154 Å²	154	138.9 Å²	138.9	72%	0.72	72%	0.722	S	S	*	*				42.5	144.1	123.5	-51.7	-163.2	106.7	0	0	121.8
782	Q	25.8	Very low	25.3	Very low	132 Å²	132	139.4 Å²	139.4	62%	0.617	72%	0.715	S	S	*	*			cis	-161.6	168.4	-0	-126.6	-171.6	56.5	0	0	110.8
783	Q	26.5	Very low	25.5	Very low	145 Å²	145	139.6 Å²	139.6	68%	0.678	71%	0.711	S	S	*	*			trans	69.4	147.5	158.6	-74.5	177.9	47.6	0	0	117.9
784	N	27.8	Very low	25.5	Very low	118 Å²	118	137.2 Å²	137.2	63%	0.631	70%	0.699	S	S	*	*			cis	-142.3	155.6	8.6	-108.6	-36.3	0	0	0	113.8
785	L	26.3	Very low	25.6	Very low	144 Å²	144	137.1 Å²	137.1	75%	0.754	70%	0.695	S	S	*	*			trans	15.7	150.4	148.4	-83.6	51.7	0	0	0	120.9
786	L	25.3	Very low	25.8	Very low	134 Å²	134	136.2 Å²	136.2	70%	0.702	69%	0.69	S	S	*	*			cis	-156.7	134.8	20.5	-156.7	59.4	0	0	0	107.8
787	L	24	Very low	26.1	Very low	135 Å²	135	138.6 Å²	138.6	71%	0.707	69%	0.69	S	S	*	*				46	129.7	90.8	-89.1	161	0	0	0	113.5
788	T	28.4	Very low	26.2	Very low	105 Å²	105	138.8 Å²	138.8	64%	0.644	69%	0.687	S	S	*	*			cis	-162.8	145.3	39.3	44.8	0	0	0	0	116.3
789	K	27.2	Very low	26.5	Very low	178 Å²	178	133.9 Å²	133.9	77%	0.774	68%	0.682	S	S	*	*			trans	65.5	163.3	132.5	-67.2	177.1	178.7	176.3	0	119.5
790	K	28.1	Very low	26.5	Very low	141 Å²	141	136.2 Å²	136.2	61%	0.613	69%	0.686	S	S	*	*			cis	-161	145.4	12.5	-139.2	172.1	-178.7	-90.2	0	112.2
791	E	25.1	Very low	26.5	Very low	136 Å²	136	137.1 Å²	137.1	64%	0.636	69%	0.687	S	S	*	*			trans	59.3	162.3	138.2	-85.1	162.5	-147	0	0	122.1
792	L	28.1	Very low	26.6	Very low	127 Å²	127	135.9 Å²	135.9	67%	0.665	69%	0.686	S	S	*	*			cis	-146.2	154.2	2.7	-98.2	127.7	0	0	0	109.7
793	N	27.6	Very low	26.5	Very low	129 Å²	129	134.1 Å²	134.1	69%	0.69	69%	0.688	S	S	*	*			trans	51.2	156.3	143.2	-63.3	14.2	0	0	0	121.1
794	N	25.4	Very low	26.4	Very low	122 Å²	122	132.7 Å²	132.7	65%	0.652	69%	0.689	S	S	*	*			cis	-161.5	-161.5	-12	-111	36.8	0	0	0	106.1
795	D	29.3	Very low	26.4	Very low	113 Å²	113	134.2 Å²	134.2	60%	0.604	70%	0.697	S	S	*	*			cis	-156	159	6.6	-116.2	-26.5	0	0	0	109.4
796	N	29.2	Very low	26.3	Very low	123 Å²	123	131.6 Å²	131.6	66%	0.658	69%	0.691	S	S	*	*			trans	29.8	152.6	133.9	-48.9	-20	0	0	0	122.4
797	E	25.3	Very low	26.4	Very low	160 Å²	160	132.5 Å²	132.5	75%	0.748	70%	0.695	S	S	*	*			cis	-171.3	153.2	-11.9	-111	-167.3	124.8	0	0	111.7
798	V	25.5	Very low	26.5	Very low	111 Å²	111	136.9 Å²	136.9	67%	0.673	70%	0.702	S	S	*	*			trans	67.2	156.8	137	173.7	0	0	0	0	122.7
799	T	28.8	Very low	26.4	Very low	126 Å²	126	143.3 Å²	143.3	77%	0.773	72%	0.715	S	S	*	*			trans	68	122.7	177.8	34.8	0	0	0	0	117
800	R	23.5	Very low	26.3	Very low	223 Å²	223	139.7 Å²	139.7	84%	0.842	71%	0.711	S	S	*	*			cis	75.5	134	37.1	-94.5	-164.8	177.1	122	0.8	116.6
801	D	24.4	Very low	26.2	Very low	123 Å²	123	137.8 Å²	137.8	66%	0.658	72%	0.716	S	S	*	*			trans	68.1	147.5	153.9	-64.2	19.6	0	0	0	116.5
802	N	27	Very low	26.1	Very low	129 Å²	129	136 Å²	136	69%	0.69	72%	0.719	S	S	*	*			cis	-158.1	165.5	-9.1	-122.8	-36.6	0	0	0	112
803	S	23.8	Very low	26	Very low	94 Å²	94	136.5 Å²	136.5	66%	0.657	72%	0.722	S	S	*	*			trans	23.4	150.7	132.6	94.1	0	0	0	0	121.2
804	V	25	Very low	25.8	Very low	116 Å²	116	139.1 Å²	139.1	70%	0.703	73%	0.727	S	S	*	*			cis	-178.4	178.4	5.3	111.2	0	0	0	0	110.2
805	D	26.4	Very low	25.8	Very low	149 Å²	149	142.9 Å²	142.9	80%	0.797	74%	0.738	S	S	*	*			trans	72.9	151.3	158.5	-87.9	-17.9	0	0	0	120.4
806	S	25.2	Very low	25.5	Very low	90 Å²	90	146.4 Å²	146.4	63%	0.629	75%	0.748	S	S	*	*			cis	-161.4	-175.7	-11.7	59.5	0	0	0	0	112.8
807	I	27.7	Very low	25.3	Very low	152 Å²	152	147.2 Å²	147.2	78%	0.779	75%	0.751	S	S	*	*			trans	103.8	88.4	172.5	-60	160.1	0	0	0	112.4
808	R	26	Very low	25.3	Very low	228 Å²	228	147 Å²	147	86%	0.86	76%	0.755	S	S	*	*				88.8	106.7	61.2	-82.2	-175.4	159.6	-177.7	-3.9	115.1
809	R	26.6	Very low	25.3	Very low	240 Å²	240	150.5 Å²	150.5	91%	0.906	76%	0.764	S	S	*	*			trans	152.1	113.1	138.5	-85	167.1	179.1	-178.2	0.6	108.6
810	S	24.9	Very low	25	Very low	101 Å²	101	149.7 Å²	149.7	71%	0.706	76%	0.763	S	S	*	*				62.1	129	74.2	73.5	0	0	0	0	113.7
811	S	26	Very low	25.2	Very low	102 Å²	102	144.7 Å²	144.7	71%	0.713	76%	0.762	S	S	*	*			cis	-172.6	157.9	2.8	40.7	0	0	0	0	113.6
812	S	23.5	Very low	25.3	Very low	98 Å²	98	146.9 Å²	146.9	69%	0.685	77%	0.773	S	S	*	*			trans	70	137.8	148.1	66.9	0	0	0	0	123.2
813	N	25.6	Very low	25.2	Very low	138 Å²	138	146.6 Å²	146.6	74%	0.738	77%	0.771	S	S	*	*			trans	92.9	119.4	146.2	-66.8	-31.1	0	0	0	123.5
814	K	23	Very low	25.3	Very low	184 Å²	184	153.4 Å²	153.4	80%	0.8	78%	0.782	S	S	*	*			trans	42.8	103.9	137.2	-62.2	-177.3	179	178.3	0	121.3
815	F	26.2	Very low	25.3	Very low	201 Å²	201	158.1 Å²	158.1	88%	0.882	79%	0.794	S	S	*	*			trans	-155	140.5	135.4	-76.4	-76.3	0	0	0	105.3
816	K	22.8	Very low	25.2	Very low	186 Å²	186	158.8 Å²	158.8	81%	0.809	79%	0.789	S	S	*	*			cis	58.3	101.7	13.3	-126.9	-167.8	-175.6	-171.3	0	115.8
817	I	23.9	Very low	25.2	Very low	140 Å²	140	161.4 Å²	161.4	72%	0.718	79%	0.792	S	S	*	*			trans	64.8	108	169.1	-51.8	169.4	0	0	0	114.7
818	N	26.2	Very low	25	Very low	155 Å²	155	162.5 Å²	162.5	83%	0.829	80%	0.799	S	S	*	*				-158.5	147.1	127.4	-120	-16.1	0	0	0	111.8
819	E	24	Very low	24.9	Very low	186 Å²	186	158.8 Å²	158.8	87%	0.869	79%	0.791	S	S	*	*			trans	-88.6	114.5	179.5	-61.3	168.9	106.8	0	0	110.1
820	S	24.1	Very low	24.8	Very low	109 Å²	109	152.2 Å²	152.2	76%	0.762	78%	0.782	S	S	*	*			trans	-179.7	71.4	164.2	29.5	0	0	0	0	112.9
821	S	27.3	Very low	24.7	Very low	117 Å²	117	152.8 Å²	152.8	82%	0.818	79%	0.787	S	S	*	*	S	Bend	trans	-161.8	-22.2	161.4	-84	0	0	0	0	113.4	N823	S821-N823 PolarHBondContact O-N 3.41Å
822	I	25.9	Very low	24.7	Very low	170 Å²	170	155.6 Å²	155.6	87%	0.872	79%	0.792	S	S	*	*	S	Bend	trans	-75.2	60.9	167.5	-48.7	178.9	0	0	0	109.7
823	N	24.8	Very low	24.8	Very low	123 Å²	123	159.6 Å²	159.6	66%	0.658	80%	0.799	S	S	*	*			trans	-175.3	87.5	163.8	-97.9	-26.4	0	0	0	110.5	S821	S821-N823 PolarHBondContact O-N 3.41Å
824	R	26.3	Very low	24.7	Very low	236 Å²	236	159.9 Å²	159.9	89%	0.891	80%	0.801	S	S	*	*	S	Bend	trans	-150.3	14	159	-117.2	175.3	-161.6	-175.2	5.7	115.6
825	F	24.6	Very low	24.9	Very low	215 Å²	215	158.5 Å²	158.5	94%	0.943	80%	0.801	S	S	*	*	S	Bend	trans	-133.1	38	164.3	-101.9	-81.1	0	0	0	111.2
826	K	24.1	Very low	24.7	Very low	163 Å²	163	154.2 Å²	154.2	71%	0.709	80%	0.796	S	S	*	*	S	Bend	trans	-135.1	131.9	159.4	-77.1	-173.2	175.9	-179.1	0	106.3
827	Q	26.2	Very low	24.9	Very low	146 Å²	146	151.4 Å²	151.4	68%	0.682	80%	0.796	S	S	*	*			trans	62.7	136.4	-163.5	-47.2	178.9	-35.9	0	0	113.1	Q829	Q827-Q829 VanDerWaalsContact CA-N 3.3Å; Q827-Q829 HydrophobicContact CB-CB 4.38Å; Q827-Q829 HydrophobicContact CG-CB 4.21Å
828	N	23.3	Very low	24.9	Very low	175 Å²	175	149.1 Å²	149.1	94%	0.936	80%	0.799	S	S	*	*			cis	30.9	58.4	-24.8	-69.4	9.3	0	0	0	119.7
829	Q	23.3	Very low	24.8	Very low	149 Å²	149	150.2 Å²	150.2	70%	0.696	80%	0.804	S	S	*	*			trans	-143	156.5	149.7	-85.2	-170.8	-28.9	0	0	107.5	Q827	Q827-Q829 VanDerWaalsContact CA-N 3.3Å; Q827-Q829 HydrophobicContact CB-CB 4.38Å; Q827-Q829 HydrophobicContact CG-CB 4.21Å
830	S	25.3	Very low	24.7	Very low	102 Å²	102	150.9 Å²	150.9	71%	0.713	80%	0.803	S	S	*	*			trans	49	71.8	168.9	59.4	0	0	0	0	116.8
831	S	23.2	Very low	24.7	Very low	114 Å²	114	154 Å²	154	80%	0.797	81%	0.806	S	S	*	*			trans	-79.6	151.9	132.7	-69.2	0	0	0	0	108.6
832	I	25	Very low	24.6	Very low	160 Å²	160	155.5 Å²	155.5	82%	0.821	81%	0.81	S	S	*	*			trans	70	98.2	179.4	-47.1	174.4	0	0	0	114.1
833	H	24.8	Very low	24.3	Very low	182 Å²	182	153.9 Å²	153.9	84%	0.843	80%	0.803	S	S	*	*			trans	-138.1	115.1	150.5	-144.3	-22.8	0	0	0	109
834	N	24.9	Very low	24.2	Very low	144 Å²	144	157.2 Å²	157.2	77%	0.77	81%	0.812	S	S	*	*			trans	161.3	136.8	168.1	-85.4	-26.6	0	0	0	104.2
835	I	26.3	Very low	24.1	Very low	156 Å²	156	151 Å²	151	80%	0.8	80%	0.804	S	S	*	*			cis	-141	129.4	41.3	-72.3	167.8	0	0	0	111.8
836	S	23.3	Very low	23.9	Very low	111 Å²	111	148.5 Å²	148.5	78%	0.776	80%	0.796	S	S	*	*			trans	56.6	164.9	149	-69.7	0	0	0	0	122.2
837	P	26.4	Very low	23.9	Very low	126 Å²	126	147.4 Å²	147.4	82%	0.818	80%	0.798	S	S	*	*			trans	-114.7	145.4	-155.8	39.4	-28.9	0	0	0	116
838	A	23.2	Very low	23.8	Very low	93 Å²	93	149.5 Å²	149.5	77%	0.769	81%	0.805	S	S	*	*			trans	-135.4	168.3	153.5	0	0	0	0	0	108.5
839	L	25.3	Very low	23.8	Very low	178 Å²	178	148.8 Å²	148.8	93%	0.932	80%	0.796	S	S	*	*			trans	65.5	60.4	177.9	-54.8	174.3	0	0	0	115.8
840	K	22	Very low	23.9	Very low	199 Å²	199	149.9 Å²	149.9	87%	0.865	81%	0.806	S	S	*	*			trans	-118.7	145.3	142.5	-96.4	-172.2	175.6	-178.9	0	109.2
841	Q	23.3	Very low	23.9	Very low	176 Å²	176	147.3 Å²	147.3	82%	0.822	80%	0.796	S	S	*	*			trans	63.3	93.5	170.6	-62.6	-179.5	-11.7	0	0	117.9
842	V	24.2	Very low	24	Very low	148 Å²	148	148.8 Å²	148.8	90%	0.897	79%	0.794	S	S	*	*				-129.3	124.9	121.6	178.1	0	0	0	0	107.2
843	N	21.1	Very low	24.2	Very low	135 Å²	135	150.2 Å²	150.2	72%	0.722	80%	0.797	S	S	*	*			trans	-97.3	141.2	172	-68	-16.2	0	0	0	109.5
844	K	22.8	Very low	24.7	Very low	194 Å²	194	144.7 Å²	144.7	84%	0.843	78%	0.779	S	S	*	*				168	148.1	129	-94.8	165.4	-180	-174.7	0	112.4
845	S	22.5	Very low	25	Very low	105 Å²	105	142.4 Å²	142.4	73%	0.734	77%	0.767	S	S	*	*			trans	56.4	146.6	157.6	50.6	0	0	0	0	119.5
846	E	22.3	Very low	25.2	Very low	163 Å²	163	143 Å²	143	76%	0.762	77%	0.766	S	S	*	*			cis	-170	152.4	-31.9	-126	164.8	-143.3	0	0	108.1
847	N	22.8	Very low	25.7	Very low	140 Å²	140	139.4 Å²	139.4	75%	0.749	75%	0.747	S	S	*	*			trans	51.3	64.4	156.4	-57.5	-33.2	0	0	0	120.3
848	F	23.9	Very low	26	Very low	190 Å²	190	137.6 Å²	137.6	83%	0.833	73%	0.726	S	S	*	*			trans	-158.8	141.7	148	-92.8	-78	0	0	0	106.8
849	E	24.3	Very low	26.4	Very low	160 Å²	160	138.1 Å²	138.1	75%	0.748	72%	0.716	S	S	*	*			cis	-154.1	164.4	0.9	-166.1	162.7	-130.5	0	0	110.6	G851	E849-G851 PolarHBondContact O-N 3.03Å
850	N	25.4	Very low	27	Very low	171 Å²	171	133.4 Å²	133.4	91%	0.914	70%	0.698	S	S	*	*	S	Bend	trans	-73.5	105.6	174.2	-72.2	-52.5	0	0	0	111.6
851	G	25.1	Very low	27.8	Very low	48 Å²	48	128.2 Å²	128.2	50%	0.495	68%	0.678	S	S	.	*			trans	-163	-30.1	174.4	0	0	0	0	0	118	E849 Q853 S854	E849-G851 PolarHBondContact O-N 3.03Å; G851-Q853 PolarHBondContact O-N 3.48Å; G851-S854 PolarHBondContact O-N 2.86Å; G851-S854 PolarHBondContact O-OG 2.93Å
852	L	25.9	Very low	28.2	Very low	145 Å²	145	125.5 Å²	125.5	76%	0.759	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-20.6	-162.8	-80.3	162.3	0	0	0	116.6	S854 N855	L852-S854 PolarHBondContact O-N 3.46Å; L852-N855 PolarHBondContact O-N 2.81Å
853	Q	29.3	Very low	28.8	Very low	190 Å²	190	122.4 Å²	122.4	89%	0.888	64%	0.644	S	S	*	*	H	α-helix	trans	-67.7	-12.8	175.6	-79.1	-174.9	-23.3	0	0	114	G851	G851-Q853 PolarHBondContact O-N 3.48Å
854	S	35.3	Very low	29.7	Very low	67 Å²	67	119.9 Å²	119.9	47%	0.469	63%	0.628	S	S	.	*	H	α-helix	trans	-74.9	-30.8	177.6	63.7	0	0	0	0	113.6	G851 L852 K858	G851-S854 PolarHBondContact O-N 2.86Å; G851-S854 PolarHBondContact O-OG 2.93Å; L852-S854 PolarHBondContact O-N 3.46Å; S854-K858 WeakPolarHBondContact O-CG 3.41Å; S854-K858 PolarHBondContact O-N 2.82Å; S854-K858 VanDerWaalsContact O-N 3.08Å
855	N	31.3	Very low	30.5	Very low	96 Å²	96	112.7 Å²	112.7	51%	0.513	60%	0.598	S	S	.	*	H	α-helix	trans	-80.6	-39	-169.6	-80.7	-17.6	0	0	0	113.6	L852 G857 K858 L859	L852-N855 PolarHBondContact O-N 2.81Å; N855-G857 VanDerWaalsContact C-N 3.32Å; N855-G857 PolarHBondContact O-N 3.28Å; N855-K858 PolarHBondContact O-N 3.47Å; N855-L859 WeakPolarHBondContact O-CB 3.46Å; N855-L859 PolarHBondContact O-N 3.37Å
856	E	29.8	Very low	31.1	Very low	167 Å²	167	112.2 Å²	112.2	78%	0.78	59%	0.587	S	S	*	*	H	α-helix	trans	-66.6	-35.8	174.7	-67.7	-167.8	136.5	0	0	111.7	L859 S860	E856-L859 PolarHBondContact O-N 2.84Å; E856-S860 VanDerWaalsContact O-CB 3.24Å; E856-S860 WeakPolarHBondContact O-CB 3.32Å; E856-S860 PolarHBondContact O-N 2.98Å
857	G	33.2	Very low	31.8	Very low	36 Å²	36	111.4 Å²	111.4	37%	0.371	58%	0.581	S	S	.	*	H	α-helix	trans	-60.9	-49	171	0	0	0	0	0	112.3	N855 S860 I861	N855-G857 VanDerWaalsContact C-N 3.32Å; N855-G857 PolarHBondContact O-N 3.28Å; G857-S860 WeakPolarHBondContact O-CB 3.24Å; G857-S860 PolarHBondContact O-N 3.46Å; G857-I861 WeakPolarHBondContact O-CG1 3.23Å; G857-I861 PolarHBondContact O-N 3.43Å
858	K	34	Very low	32.7	Very low	89 Å²	89	107.9 Å²	107.9	39%	0.387	56%	0.562	S	S	.	*	H	α-helix	trans	-63	-42	175.9	-78.1	-172.9	172.4	-169.5	0	112.8	E671 S854 N855 S860 I861 Q862	E671-K858 VanDerWaalsContact CD-NZ 3.28Å; E671-K858 IonicContact OE1-NZ 2.74Å; E671-K858 PolarHBondContact OE1-NZ 2.62Å; E671-K858 IonicContact OE2-NZ 3.16Å; E671-K858 PolarHBondContact OE2-NZ 2.95Å; E671-K858 VanDerWaalsContact OE2-NZ 3.13Å; S854-K858 WeakPolarHBondContact O-CG 3.41Å; S854-K858 PolarHBondContact O-N 2.82Å; S854-K858 VanDerWaalsContact O-N 3.08Å; N855-K858 PolarHBondContact O-N 3.47Å; K858-S860 VanDerWaalsContact C-N 3.34Å; K858-S860 PolarHBondContact O-N 3.4Å; K858-I861 PolarHBondContact O-N 3.34Å; K858-Q862 WeakPolarHBondContact O-CB 3.35Å; K858-Q862 WeakPolarHBondContact O-CG 3.19Å; K858-Q862 PolarHBondContact O-N 3.48Å
859	L	30.9	Very low	33.8	Very low	104 Å²	104	100.9 Å²	100.9	55%	0.545	53%	0.53	S	S	.	.	H	α-helix	trans	-65.8	-37.4	176.1	-129.6	77.1	0	0	0	111.6	N855 E856 N863	N855-L859 WeakPolarHBondContact O-CB 3.46Å; N855-L859 PolarHBondContact O-N 3.37Å; E856-L859 PolarHBondContact O-N 2.84Å; L859-N863 VanDerWaalsContact O-CB 3.28Å; L859-N863 WeakPolarHBondContact O-CB 3.3Å; L859-N863 PolarHBondContact O-N 2.97Å; L859-N863 PolarHBondContact O-ND2 3.18Å
860	S	36.7	Very low	34.5	Very low	79 Å²	79	97.2 Å²	97.2	55%	0.552	52%	0.521	S	S	*	.	H	α-helix	trans	-62.9	-47.9	174.8	-172.6	0	0	0	0	111.1	E856 G857 K858 N863 Q864	E856-S860 VanDerWaalsContact O-CB 3.24Å; E856-S860 WeakPolarHBondContact O-CB 3.32Å; E856-S860 PolarHBondContact O-N 2.98Å; G857-S860 WeakPolarHBondContact O-CB 3.24Å; G857-S860 PolarHBondContact O-N 3.46Å; K858-S860 VanDerWaalsContact C-N 3.34Å; K858-S860 PolarHBondContact O-N 3.4Å; S860-N863 PolarHBondContact O-N 3.41Å; S860-Q864 WeakPolarHBondContact O-CB 3.43Å; S860-Q864 PolarHBondContact O-N 3.45Å
861	I	39.3	Very low	35.5	Very low	90 Å²	90	92.7 Å²	92.7	46%	0.462	50%	0.502	S	S	.	.	H	α-helix	trans	-62.5	-44.3	176.8	-67.5	166.1	0	0	0	111.2	G857 K858 Q864 L865	G857-I861 WeakPolarHBondContact O-CG1 3.23Å; G857-I861 PolarHBondContact O-N 3.43Å; K858-I861 PolarHBondContact O-N 3.34Å; I861-Q864 PolarHBondContact O-N 3.3Å; I861-L865 HydrophobicContact CG2-CD1 3.96Å; I861-L865 HydrophobicContact CG2-CG 4.46Å; I861-L865 WeakPolarHBondContact O-CB 3.48Å; I861-L865 VanDerWaalsContact O-CG 3.31Å; I861-L865 WeakPolarHBondContact O-CG 3.09Å; I861-L865 PolarHBondContact O-N 2.84Å
862	Q	32.8	Very low	36.7	Very low	118 Å²	118	92.4 Å²	92.4	55%	0.551	49%	0.489	S	S	*	.	H	α-helix	trans	-63.5	-41.8	175.7	-76.1	-178.5	-12.1	0	0	112.7	K858 L866	K858-Q862 WeakPolarHBondContact O-CB 3.35Å; K858-Q862 WeakPolarHBondContact O-CG 3.19Å; K858-Q862 PolarHBondContact O-N 3.48Å; Q862-L866 WeakPolarHBondContact O-CB 3.46Å; Q862-L866 WeakPolarHBondContact O-CG 3.39Å; Q862-L866 PolarHBondContact O-N 2.89Å
863	N	35.7	Very low	37.6	Very low	83 Å²	83	86.6 Å²	86.6	44%	0.444	46%	0.458	S	S	.	.	H	α-helix	trans	-70.1	-32.7	177.2	-80.6	-68.2	0	0	0	112.4	L859 S860 L866 K867	L859-N863 VanDerWaalsContact O-CB 3.28Å; L859-N863 WeakPolarHBondContact O-CB 3.3Å; L859-N863 PolarHBondContact O-N 2.97Å; L859-N863 PolarHBondContact O-ND2 3.18Å; S860-N863 PolarHBondContact O-N 3.41Å; N863-L866 PolarHBondContact O-N 3.29Å; N863-K867 WeakPolarHBondContact O-CG 3.2Å; N863-K867 PolarHBondContact O-N 2.95Å
864	Q	39.8	Very low	38.5	Very low	82 Å²	82	84.6 Å²	84.6	38%	0.383	45%	0.447	S	S	.	.	H	α-helix	trans	-71.2	-44.9	173.9	-170.2	55.6	38.2	0	0	110.9	S860 I861 L866 K867 D868	S860-Q864 WeakPolarHBondContact O-CB 3.43Å; S860-Q864 PolarHBondContact O-N 3.45Å; I861-Q864 PolarHBondContact O-N 3.3Å; Q864-L866 PolarHBondContact O-N 3.33Å; Q864-K867 WeakPolarHBondContact O-CB 3.3Å; Q864-K867 PolarHBondContact O-N 2.89Å; Q864-D868 VanDerWaalsContact NE2-CG 3.33Å; Q864-D868 PolarHBondContact NE2-OD1 2.64Å; Q864-D868 PolarHBondContact NE2-OD2 3.19Å; Q864-D868 PolarHBondContact O-N 3.31Å
865	L	39.7	Very low	39.1	Very low	43 Å²	43	89.6 Å²	89.6	23%	0.225	46%	0.455	C	S	.	.	H	α-helix	trans	-56.8	-36	170.1	-76.1	169.9	0	0	0	112.5	L641 I861 W869 I872	L641-L865 HydrophobicContact CD1-CD2 3.86Å; L641-L865 HydrophobicContact CD2-CD1 4.23Å; L641-L865 HydrophobicContact CD2-CD2 3.9Å; L641-L865 HydrophobicContact CG-CD2 4.14Å; I861-L865 HydrophobicContact CG2-CD1 3.96Å; I861-L865 HydrophobicContact CG2-CG 4.46Å; I861-L865 WeakPolarHBondContact O-CB 3.48Å; I861-L865 VanDerWaalsContact O-CG 3.31Å; I861-L865 WeakPolarHBondContact O-CG 3.09Å; I861-L865 PolarHBondContact O-N 2.84Å; L865-W869 WeakPolarHBondContact O-CA 3.48Å; L865-W869 VanDerWaalsContact O-CB 3.3Å; L865-W869 WeakPolarHBondContact O-CB 3.41Å; L865-W869 PolarHBondContact O-N 3.18Å; L865-I872 HydrophobicContact CD2-CD1 4.44Å
866	L	35.7	Very low	39.8	Very low	96 Å²	96	87.4 Å²	87.4	50%	0.503	44%	0.444	S	S	.	.	H	α-helix	trans	-70.2	-32.7	173.5	-87	161.2	0	0	0	113.7	Q862 N863 Q864 W869	Q862-L866 WeakPolarHBondContact O-CB 3.46Å; Q862-L866 WeakPolarHBondContact O-CG 3.39Å; Q862-L866 PolarHBondContact O-N 2.89Å; N863-L866 PolarHBondContact O-N 3.29Å; Q864-L866 PolarHBondContact O-N 3.33Å; L866-W869 WeakPolarHBondContact O-CB 3.42Å
867	K	37.9	Very low	40.5	Very low	145 Å²	145	82.8 Å²	82.8	63%	0.63	42%	0.424	S	S	*	.	H	α-helix	trans	-72.8	-39.4	172.8	-74.8	171.9	-177	171.4	0	112.5	N863 Q864 W869 P870	N863-K867 WeakPolarHBondContact O-CG 3.2Å; N863-K867 PolarHBondContact O-N 2.95Å; Q864-K867 WeakPolarHBondContact O-CB 3.3Å; Q864-K867 PolarHBondContact O-N 2.89Å; K867-W869 VanDerWaalsContact C-N 3.3Å; K867-P870 WeakPolarHBondContact O-CD 3.46Å
868	D	41.6	Very low	41.1	Very low	67 Å²	67	83.8 Å²	83.8	36%	0.358	42%	0.418	S	S	.	.	H	α-helix	trans	-82.6	-12.9	179	-62.1	-36.2	0	0	0	111.8	Q864 P870 S871 I872	Q864-D868 VanDerWaalsContact NE2-CG 3.33Å; Q864-D868 PolarHBondContact NE2-OD1 2.64Å; Q864-D868 PolarHBondContact NE2-OD2 3.19Å; Q864-D868 PolarHBondContact O-N 3.31Å; D868-P870 VanDerWaalsContact C-CD 3.41Å; D868-S871 CarbonylContact O-C 3.2Å; D868-S871 WeakPolarHBondContact O-CA 3.3Å; D868-S871 VanDerWaalsContact O-CB 3.31Å; D868-S871 WeakPolarHBondContact O-CB 3.49Å; D868-S871 PolarHBondContact O-N 2.82Å; D868-I872 HydrophobicContact CB-CD1 4.05Å; D868-I872 WeakPolarHBondContact O-CG1 3.36Å; D868-I872 PolarHBondContact O-N 3.21Å
869	W	46	Very low	41.8	Very low	42 Å²	42	81.8 Å²	81.8	16%	0.159	41%	0.411	C	S	.	.	H	α-helix	trans	-50.2	-42.5	177.8	-158.8	-112	0	0	0	114.7	F679 L865 L866 K867 S871 I872 L873	F679-W869 HydrophobicContact CB-CH2 4Å; F679-W869 HydrophobicContact CB-CZ2 4.12Å; F679-W869 AromaticContact CD2-CH2 3.71Å; F679-W869 HydrophobicContact CD2-CH2 3.71Å; F679-W869 AromaticContact CD2-CZ2 3.5Å; F679-W869 HydrophobicContact CD2-CZ2 3.5Å; F679-W869 HydrophobicContact CE2-CH2 4.45Å; F679-W869 HydrophobicContact CE2-CZ2 4.31Å; F679-W869 HydrophobicContact CG-CH2 4.08Å; F679-W869 HydrophobicContact CG-CZ2 4.19Å; L865-W869 WeakPolarHBondContact O-CA 3.48Å; L865-W869 VanDerWaalsContact O-CB 3.3Å; L865-W869 WeakPolarHBondContact O-CB 3.41Å; L865-W869 PolarHBondContact O-N 3.18Å; L866-W869 WeakPolarHBondContact O-CB 3.42Å; K867-W869 VanDerWaalsContact C-N 3.3Å; W869-S871 VanDerWaalsContact C-N 3.26Å; W869-S871 PolarHBondContact O-N 3.34Å; W869-I872 PolarHBondContact O-N 2.77Å; W869-L873 WeakPolarHBondContact O-CA 3.49Å; W869-L873 WeakPolarHBondContact O-CB 3.49Å; W869-L873 PolarHBondContact O-N 3.39Å
870	P	40	Very low	42.2	Very low	84 Å²	84	77.4 Å²	77.4	55%	0.545	39%	0.389	S	S	.	.	H	α-helix	trans	-64.1	-32.7	175.9	-19.6	34.5	0	0	0	112.1	K867 D868 K874	K867-P870 WeakPolarHBondContact O-CD 3.46Å; D868-P870 VanDerWaalsContact C-CD 3.41Å; P870-K874 WeakPolarHBondContact O-CB 3.27Å; P870-K874 PolarHBondContact O-N 3.39Å
871	S	45.3	Very low	42.3	Very low	75 Å²	75	75.3 Å²	75.3	52%	0.524	37%	0.372	S	S	.	.	H	α-helix	trans	-75.9	-42.5	177.5	-56.5	0	0	0	0	111.8	D868 W869 K874 R875	D868-S871 CarbonylContact O-C 3.2Å; D868-S871 WeakPolarHBondContact O-CA 3.3Å; D868-S871 VanDerWaalsContact O-CB 3.31Å; D868-S871 WeakPolarHBondContact O-CB 3.49Å; D868-S871 PolarHBondContact O-N 2.82Å; W869-S871 VanDerWaalsContact C-N 3.26Å; W869-S871 PolarHBondContact O-N 3.34Å; S871-K874 PolarHBondContact O-N 3.09Å; S871-R875 PolarHBondContact O-N 2.87Å
872	I	49.8	Very low	42.5	Very low	42 Å²	42	73 Å²	73	22%	0.215	36%	0.362	C	S	.	.	H	α-helix	trans	-66.7	-49.4	176.1	-64.8	165.6	0	0	0	110.2	L641 L865 D868 W869 K874 R875 L876	L641-I872 HydrophobicContact CD1-CD1 4.27Å; L865-I872 HydrophobicContact CD2-CD1 4.44Å; D868-I872 HydrophobicContact CB-CD1 4.05Å; D868-I872 WeakPolarHBondContact O-CG1 3.36Å; D868-I872 PolarHBondContact O-N 3.21Å; W869-I872 PolarHBondContact O-N 2.77Å; I872-K874 VanDerWaalsContact C-N 3.31Å; I872-K874 PolarHBondContact O-N 2.94Å; I872-R875 WeakPolarHBondContact O-CB 3.39Å; I872-R875 PolarHBondContact O-N 2.86Å; I872-R875 VanDerWaalsContact O-N 3.14Å; I872-L876 HydrophobicContact CG2-CD1 3.81Å; I872-L876 WeakPolarHBondContact O-CG 3.26Å; I872-L876 PolarHBondContact O-N 2.58Å
873	L	45.8	Very low	43	Very low	23 Å²	23	70.9 Å²	70.9	12%	0.12	35%	0.354	C	S	.	.	H	α-helix	trans	-64.2	-35.5	176.3	-173.3	66	0	0	0	111.4	F679 W869 I877	F679-L873 HydrophobicContact CE2-CD1 3.99Å; W869-L873 WeakPolarHBondContact O-CA 3.49Å; W869-L873 WeakPolarHBondContact O-CB 3.49Å; W869-L873 PolarHBondContact O-N 3.39Å; L873-I877 HydrophobicContact CD1-CD1 4.1Å; L873-I877 HydrophobicContact CD1-CG1 4.36Å; L873-I877 HydrophobicContact CD2-CD1 4.5Å; L873-I877 HydrophobicContact CG-CD1 3.84Å; L873-I877 HydrophobicContact CG-CG1 4.44Å; L873-I877 VanDerWaalsContact O-CB 3.29Å; L873-I877 WeakPolarHBondContact O-CB 3.22Å; L873-I877 VanDerWaalsContact O-CG1 3.24Å; L873-I877 WeakPolarHBondContact O-CG1 3.17Å; L873-I877 PolarHBondContact O-N 3.33Å
874	K	47.1	Very low	43.1	Very low	149 Å²	149	68.8 Å²	68.8	65%	0.648	34%	0.343	S	S	*	.	H	α-helix	trans	-65	-43.5	171.1	-177.4	175.6	-178	-179.9	0	111.3	P870 S871 I872 H878	P870-K874 WeakPolarHBondContact O-CB 3.27Å; P870-K874 PolarHBondContact O-N 3.39Å; S871-K874 PolarHBondContact O-N 3.09Å; I872-K874 VanDerWaalsContact C-N 3.31Å; I872-K874 PolarHBondContact O-N 2.94Å; K874-H878 WeakPolarHBondContact O-CB 3.25Å; K874-H878 PolarHBondContact O-N 2.78Å
875	R	49.5	Very low	42.9	Very low	171 Å²	171	68 Å²	68	65%	0.645	34%	0.339	S	S	*	.	H	α-helix	trans	-58.8	-49.1	173.5	-82.2	-179.1	167.8	-177.4	-4.6	111.7	S871 I872 H878 Q879	S871-R875 PolarHBondContact O-N 2.87Å; I872-R875 WeakPolarHBondContact O-CB 3.39Å; I872-R875 PolarHBondContact O-N 2.86Å; I872-R875 VanDerWaalsContact O-N 3.14Å; R875-H878 CarbonylContact O-C 3.55Å; R875-H878 PolarHBondContact O-N 3.02Å; R875-H878 VanDerWaalsContact O-N 3.16Å; R875-Q879 WeakPolarHBondContact O-CG 3.21Å; R875-Q879 PolarHBondContact O-N 2.92Å
876	L	45.6	Very low	42.6	Very low	51 Å²	51	67.6 Å²	67.6	27%	0.267	34%	0.337	S	S	.	.	H	α-helix	trans	-68.3	-38.5	-177.4	-66.9	166.4	0	0	0	113	F679 I872 A880	F679-L876 HydrophobicContact CE2-CD1 4.18Å; F679-L876 HydrophobicContact CZ-CD1 3.67Å; I872-L876 HydrophobicContact CG2-CD1 3.81Å; I872-L876 WeakPolarHBondContact O-CG 3.26Å; I872-L876 PolarHBondContact O-N 2.58Å; L876-A880 PolarHBondContact O-N 3.05Å; L876-A880 VanDerWaalsContact O-N 3.12Å
877	I	44.4	Very low	42.5	Very low	70 Å²	70	67.2 Å²	67.2	36%	0.359	34%	0.338	S	S	.	.	H	α-helix	trans	-67.2	-38.3	170.7	-70.1	171.9	0	0	0	110.7	L873 A880 I881	L873-I877 HydrophobicContact CD1-CD1 4.1Å; L873-I877 HydrophobicContact CD1-CG1 4.36Å; L873-I877 HydrophobicContact CD2-CD1 4.5Å; L873-I877 HydrophobicContact CG-CD1 3.84Å; L873-I877 HydrophobicContact CG-CG1 4.44Å; L873-I877 VanDerWaalsContact O-CB 3.29Å; L873-I877 WeakPolarHBondContact O-CB 3.22Å; L873-I877 VanDerWaalsContact O-CG1 3.24Å; L873-I877 WeakPolarHBondContact O-CG1 3.17Å; L873-I877 PolarHBondContact O-N 3.33Å; I877-A880 PolarHBondContact O-N 3.27Å; I877-I881 HydrophobicContact CG2-CD1 3.79Å; I877-I881 VanDerWaalsContact O-CG1 3.29Å; I877-I881 WeakPolarHBondContact O-CG1 3.43Å; I877-I881 PolarHBondContact O-N 3.41Å
878	H	45.9	Very low	42.5	Very low	56 Å²	56	64.1 Å²	64.1	26%	0.259	33%	0.332	S	S	.	.	H	α-helix	trans	-68.9	-36.4	179.7	-162.5	-29.6	0	0	0	112.2	N51 Q73 K874 R875 I881 T882	N51-H878 PolarHBondContact OD1-CE1 3.1Å; N51-H878 PolarHBondContact OD1-NE2 2.8Å; Q73-H878 PolarHBondContact NE2-CE1 3.09Å; Q73-H878 PolarHBondContact NE2-NE2 2.84Å; K874-H878 WeakPolarHBondContact O-CB 3.25Å; K874-H878 PolarHBondContact O-N 2.78Å; R875-H878 CarbonylContact O-C 3.55Å; R875-H878 PolarHBondContact O-N 3.02Å; R875-H878 VanDerWaalsContact O-N 3.16Å; H878-I881 PolarHBondContact O-N 2.97Å; H878-T882 PolarHBondContact O-N 2.94Å; H878-T882 PolarHBondContact O-OG1 2.84Å; H878-T882 VanDerWaalsContact O-OG1 3.1Å
879	Q	47.4	Very low	42.1	Very low	48 Å²	48	67.3 Å²	67.3	22%	0.224	35%	0.349	C	S	.	.	H	α-helix	trans	-58.8	-55.3	168.4	-76.2	171.5	-99.8	0	0	110.4	R875 I881 T882 D883	R875-Q879 WeakPolarHBondContact O-CG 3.21Å; R875-Q879 PolarHBondContact O-N 2.92Å; Q879-I881 PolarHBondContact O-N 3.06Å; Q879-T882 WeakPolarHBondContact CA-OG1 3.44Å; Q879-T882 PolarHBondContact O-N 3.31Å; Q879-T882 PolarHBondContact O-OG1 3.46Å; Q879-D883 PolarHBondContact O-N 3.17Å
880	A	39.3	Very low	41.3	Very low	12 Å²	12	74 Å²	74	10%	0.099	38%	0.379	C	S	.	.	H	α-helix	trans	-58.7	-21.1	178.7	0	0	0	0	0	114	L876 I877 N884	L876-A880 PolarHBondContact O-N 3.05Å; L876-A880 VanDerWaalsContact O-N 3.12Å; I877-A880 PolarHBondContact O-N 3.27Å; A880-N884 WeakPolarHBondContact O-CB 3.27Å; A880-N884 PolarHBondContact O-ND2 3.13Å
881	I	39.4	Very low	40.8	Very low	35 Å²	35	78.4 Å²	78.4	18%	0.179	40%	0.397	C	S	.	.	H	α-helix	trans	-84.6	-43.2	171.6	-70	166.8	0	0	0	112.2	I877 H878 Q879 D883 N884 H885 L891	I877-I881 HydrophobicContact CG2-CD1 3.79Å; I877-I881 VanDerWaalsContact O-CG1 3.29Å; I877-I881 WeakPolarHBondContact O-CG1 3.43Å; I877-I881 PolarHBondContact O-N 3.41Å; H878-I881 PolarHBondContact O-N 2.97Å; Q879-I881 PolarHBondContact O-N 3.06Å; I881-D883 VanDerWaalsContact C-N 3.29Å; I881-D883 PolarHBondContact O-N 3Å; I881-N884 PolarHBondContact O-N 3.1Å; I881-H885 PolarHBondContact O-N 3.15Å; I881-L891 HydrophobicContact CD1-CD1 3.96Å
882	T	44.9	Very low	40.5	Very low	41 Å²	41	78.6 Å²	78.6	25%	0.252	39%	0.391	S	S	.	.	H	α-helix	trans	-65.5	-32.9	177.9	44.4	0	0	0	0	112.5	H878 Q879 N884	H878-T882 PolarHBondContact O-N 2.94Å; H878-T882 PolarHBondContact O-OG1 2.84Å; H878-T882 VanDerWaalsContact O-OG1 3.1Å; Q879-T882 WeakPolarHBondContact CA-OG1 3.44Å; Q879-T882 PolarHBondContact O-N 3.31Å; Q879-T882 PolarHBondContact O-OG1 3.46Å; T882-N884 PolarHBondContact O-N 3.05Å
883	D	41.3	Very low	40.1	Very low	73 Å²	73	80.5 Å²	80.5	39%	0.39	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-4.6	-179.7	-54.9	-15.1	0	0	0	112.6	Q879 I881	Q879-D883 PolarHBondContact O-N 3.17Å; I881-D883 VanDerWaalsContact C-N 3.29Å; I881-D883 PolarHBondContact O-N 3Å
884	N	38.3	Very low	39.7	Very low	40 Å²	40	83.7 Å²	83.7	21%	0.214	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-144.3	8.8	-160.5	-75.5	-64.2	0	0	0	116.9	S693 A880 I881 T882 I886	S693-N884 WeakPolarHBondContact CB-OD1 3.32Å; A880-N884 WeakPolarHBondContact O-CB 3.27Å; A880-N884 PolarHBondContact O-ND2 3.13Å; I881-N884 PolarHBondContact O-N 3.1Å; T882-N884 PolarHBondContact O-N 3.05Å; N884-I886 HydrophobicContact CB-CD1 4.32Å; N884-I886 HydrophobicContact CB-CG1 4.22Å; N884-I886 PolarHBondContact O-N 3.03Å
885	H	36.4	Very low	39.3	Very low	66 Å²	66	79.9 Å²	79.9	31%	0.306	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	31.5	177.5	-59.8	-73.5	0	0	0	116.8	Y71 D93 Q290 I881 T887	Y71-H885 AromaticContact CD1-CE1 3.94Å; Y71-H885 AromaticContact CE1-CE1 3.41Å; Y71-H885 VanDerWaalsContact CE1-CE1 3.41Å; Y71-H885 WeakPolarHBondContact CE1-CE1 3.28Å; Y71-H885 AromaticContact CE1-NE2 3.48Å; Y71-H885 WeakPolarHBondContact CE1-NE2 3.45Å; D93-H885 IonicContact OD1-CE1 2.71Å; D93-H885 PolarHBondContact OD1-CE1 3.16Å; D93-H885 IonicContact OD1-ND1 2.61Å; D93-H885 IonicContact OD1-NE2 2.77Å; Q290-H885 PolarHBondContact NE2-NE2 2.84Å; I881-H885 PolarHBondContact O-N 3.15Å; H885-T887 PolarHBondContact O-N 3.13Å
886	I	34.1	Very low	38.7	Very low	34 Å²	34	74.2 Å²	74.2	17%	0.174	39%	0.387	C	S	.	.			trans	-81.5	103.3	177.7	-53.6	173.6	0	0	0	109.1	T691 N884 T888	T691-I886 VanDerWaalsContact OG1-CD1 3.23Å; T691-I886 WeakPolarHBondContact OG1-CD1 3.29Å; N884-I886 HydrophobicContact CB-CD1 4.32Å; N884-I886 HydrophobicContact CB-CG1 4.22Å; N884-I886 PolarHBondContact O-N 3.03Å; I886-T888 PolarHBondContact O-N 3.39Å
887	T	32.8	Very low	38.2	Very low	87 Å²	87	75.7 Å²	75.7	53%	0.534	40%	0.395	S	S	.	.			trans	-56.3	134.3	172.5	55.2	0	0	0	0	110.8	H885 N889	H885-T887 PolarHBondContact O-N 3.13Å; T887-N889 PolarHBondContact O-N 2.7Å
888	T	37.6	Very low	37.8	Very low	80 Å²	80	76.1 Å²	76.1	49%	0.491	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-60.2	-14	-171.1	41.5	0	0	0	0	116	I886 K890	I886-T888 PolarHBondContact O-N 3.39Å; T888-K890 PolarHBondContact O-N 2.84Å; T888-K890 VanDerWaalsContact O-N 3.13Å
889	N	33.3	Very low	37.1	Very low	134 Å²	134	77.7 Å²	77.7	72%	0.717	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-80.6	22.7	-178.5	-64.3	-29	0	0	0	114.7	T887	T887-N889 PolarHBondContact O-N 2.7Å
890	K	29.3	Very low	36.3	Very low	183 Å²	183	80.2 Å²	80.2	80%	0.796	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-130.2	16.2	174.2	-83.8	-174.8	175.4	174.7	0	113.7	T888	T888-K890 PolarHBondContact O-N 2.84Å; T888-K890 VanDerWaalsContact O-N 3.13Å
891	L	28.8	Very low	36	Very low	177 Å²	177	86.4 Å²	86.4	93%	0.927	45%	0.453	S	S	*	.			trans	-114.6	0	167.7	-83.4	163.6	0	0	0	109.9	I881	I881-L891 HydrophobicContact CD1-CD1 3.96Å

Retrieved 891 of 891 residues in 443.4 ms (Link to these results)

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