A0A077Z2L4_TRITR Loading...

Sad1 UNC domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2L4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 831 aa.

						>A0A077Z2L4_TRITR|A0A077Z2L4
MATASDPEGVCSLAEHLHFLHLFFPVDSTADVGKCPSDKQKEAELPIVESQKETLELTDDEPLQSFDEWTRRKLEEQRLVATVADTVVNGNGAPAAAAPIAARNYASKDCGARIVMANAEARKPSALLNGKRKAFSHSFSAYVIFVLIVVDKDNDEYMLNPCKTDGPKWFIIELCETVQISCVEMANFELFSSSPKEFRLVTSERYPSSEWHLLGEWTAADSRQIQRYMVASKLYAKYVKVELLSHYGSEHFCPLSLVRVLGISMVEEYEAEAMKHESFASPIREQSGATLSDSDEQKSSAKGYLLNTARDTVKSIAESVLKKASFVFKVIKTTTEQQQRYAANGGATFAHPSTNGDAVSSSSYWSCLLSPKNQSKRFTSRHCYFTQLMENRFVTPAGSSIALDSVNSGRSSTADTSSFAGKRRFAKCGNTSLHGHCSSEKNELQKHLTMNNEQPKWCPLKGNLTRSKFKRRRLIPTVGYPQRLNSSNDASFNAKKGTISSNGGATVASASSLHLLPGSTTSAKESVFIRLNNRIKKLEINVSLSSQYLSELSRTYKRQMEEMQKNWKRTLSLVAETKRHLLSMIEVHNDLLHSLTSRVDEVSSMVTTAEKISVPLPDKWWQWHPGLLFMEFCLVSCIVLFTVLGSKSTSRLRRSDVAKVVMDILMSEMSVLTQPSYLQNSDEVRRVDVRPSPSSVASNKSSRALTNVNGKWKVFLLLRSSRTLRRTDASMRKASEPQRLRCFSGQRRNANSLADPKDSPSSSSKVCCRSCPGVLFSSVPRTPPKNEISKWIEHPAMRAPLKKGYDRETPISPGFLCHTKATNRPSPSPRG
					

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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	38.8	Very low	40.7	Very low	243 Å²	243	131.4 Å²	131.4	100%	1.197	83%	0.825	S	S	*	*				0	88.1	0	-65.1	163.2	175.8	0	0	105
2	A	38.8	Very low	40.7	Very low	99 Å²	99	128.4 Å²	128.4	82%	0.818	81%	0.812	S	S	*	*				75.3	124.7	68.1	0	0	0	0	0	110.6
3	T	43.6	Very low	40.2	Very low	128 Å²	128	131 Å²	131	79%	0.785	82%	0.815	S	S	*	*			cis	-128	154.1	7.4	50.9	0	0	0	0	110.6
4	A	40.3	Very low	39.8	Very low	92 Å²	92	128.4 Å²	128.4	76%	0.76	81%	0.812	S	S	*	*				50	137.3	76.2	0	0	0	0	0	113.9
5	S	43.6	Very low	39.7	Very low	113 Å²	113	132.7 Å²	132.7	79%	0.79	82%	0.818	S	S	*	*			cis	-163.3	157.9	14.3	51.7	0	0	0	0	114.1
6	D	33.2	Very low	39.6	Very low	151 Å²	151	135.3 Å²	135.3	81%	0.807	82%	0.817	S	S	*	*			trans	-73.6	171.2	159.4	-51.3	-80.5	0	0	0	111.8
7	P	52.6	Low	39.1	Very low	117 Å²	117	135.9 Å²	135.9	76%	0.76	82%	0.815	S	S	*	*				-155	154.9	84.2	40.2	-20.2	0	0	0	119.5
8	E	40.5	Very low	38.8	Very low	191 Å²	191	138 Å²	138	89%	0.893	81%	0.814	S	S	*	*			trans	25.1	150.6	137.6	-50.9	-167.1	148.2	0	0	125.9
9	G	39.9	Very low	38.6	Very low	70 Å²	70	141.4 Å²	141.4	72%	0.722	82%	0.818	S	S	*	*			trans	145.2	82.2	161.2	0	0	0	0	0	114.2
10	V	42.6	Very low	38.2	Very low	124 Å²	124	142 Å²	142	75%	0.752	82%	0.817	S	S	*	*				94.7	130.5	55.1	173.8	0	0	0	0	113.8
11	C	34.1	Very low	38.3	Very low	117 Å²	117	142.7 Å²	142.7	79%	0.791	81%	0.813	S	S	*	*			trans	69.5	151.4	173.8	-73.3	0	0	0	0	119
12	S	40.1	Very low	38.3	Very low	96 Å²	96	137.6 Å²	137.6	67%	0.671	79%	0.789	S	S	*	*			cis	-166.6	164.1	-24.2	56.8	0	0	0	0	111.5
13	L	34.8	Very low	38.1	Very low	162 Å²	162	141.6 Å²	141.6	85%	0.848	79%	0.789	S	S	*	*			trans	55.4	105.9	166	-89.7	74	0	0	0	119.7
14	A	34.4	Very low	37.6	Very low	94 Å²	94	144.9 Å²	144.9	78%	0.777	79%	0.793	S	S	*	*				34.2	110.5	125	0	0	0	0	0	120.5
15	E	38.3	Very low	37.3	Very low	194 Å²	194	144.8 Å²	144.8	91%	0.907	78%	0.784	S	S	*	*				-152	170.9	111	-113.2	170.9	-164.9	0	0	111.2
16	H	37.2	Very low	36.9	Very low	173 Å²	173	145.1 Å²	145.1	80%	0.801	78%	0.781	S	S	*	*			trans	-80.5	129.1	-149.7	-84.1	72.5	0	0	0	117.8
17	L	32.5	Very low	36.8	Very low	147 Å²	147	145 Å²	145	77%	0.77	78%	0.78	S	S	*	*			trans	74	156.6	141.4	-69.6	168.5	0	0	0	121.9
18	H	32.7	Very low	36	Very low	173 Å²	173	144.1 Å²	144.1	80%	0.801	78%	0.777	S	S	*	*			trans	64.3	66	168.1	-78.7	-78.9	0	0	0	119.8
19	F	34.5	Very low	35.9	Very low	203 Å²	203	141.8 Å²	141.8	89%	0.89	78%	0.776	S	S	*	*			trans	-147.7	43.7	150.3	-122.3	-73.5	0	0	0	116.5
20	L	31.8	Very low	35.8	Very low	153 Å²	153	142.6 Å²	142.6	80%	0.801	78%	0.776	S	S	*	*			trans	-114.1	69.1	161.9	-88.2	173.8	0	0	0	111	L22	L20-L22 VanDerWaalsContact C-N 3.31Å; L20-L22 PolarHBondContact O-N 3.44Å
21	H	40.3	Very low	35.4	Very low	156 Å²	156	144.2 Å²	144.2	72%	0.722	78%	0.78	S	S	*	*			trans	-96.6	44.9	174.3	-163.1	-72.9	0	0	0	111.9
22	L	38.2	Very low	35.7	Very low	136 Å²	136	144.9 Å²	144.9	71%	0.712	78%	0.78	S	S	*	*	S	Bend	trans	-151.7	134.4	163.2	-92	174.2	0	0	0	106.6	L20	L20-L22 VanDerWaalsContact C-N 3.31Å; L20-L22 PolarHBondContact O-N 3.44Å
23	F	34.1	Very low	35.4	Very low	184 Å²	184	143 Å²	143	81%	0.807	78%	0.776	S	S	*	*	S	Bend	trans	65.8	81.3	-168.4	-54.8	-80.4	0	0	0	114.8
24	F	33	Very low	35.5	Very low	197 Å²	197	145 Å²	145	86%	0.864	78%	0.778	S	S	*	*			trans	65.8	100.5	168	-56.3	-80.5	0	0	0	119.1
25	P	33.9	Very low	35.1	Very low	89 Å²	89	146.4 Å²	146.4	58%	0.578	78%	0.781	S	S	*	*			trans	-114.8	145.9	149.9	35.7	-26.4	0	0	0	112.5
26	V	36	Very low	35.3	Very low	121 Å²	121	143.2 Å²	143.2	73%	0.733	78%	0.777	S	S	*	*			trans	-138	136.7	176.3	166.9	0	0	0	0	108.2
27	D	31.5	Very low	35.2	Very low	147 Å²	147	139.9 Å²	139.9	79%	0.786	77%	0.773	S	S	*	*			trans	60.5	155.3	175.4	-65.6	-30.8	0	0	0	115.8
28	S	36.3	Very low	35.3	Very low	99 Å²	99	139.2 Å²	139.2	69%	0.692	77%	0.77	S	S	*	*			cis	-149.3	-159	-15.6	-123.9	0	0	0	0	107.3
29	T	38.2	Very low	35.4	Very low	143 Å²	143	140.7 Å²	140.7	88%	0.877	77%	0.774	S	S	*	*			cis	-149.3	-153.3	14.4	-28.1	0	0	0	0	110.2
30	A	37	Very low	35.3	Very low	86 Å²	86	139.3 Å²	139.3	71%	0.711	77%	0.771	S	S	*	*			trans	-93.5	157	-175.8	0	0	0	0	0	115.6
31	D	35.4	Very low	35.3	Very low	159 Å²	159	141.6 Å²	141.6	85%	0.85	77%	0.774	S	S	*	*				-139.4	149.6	119.6	-160.1	16.8	0	0	0	112.3
32	V	39.5	Very low	35.1	Very low	130 Å²	130	141.9 Å²	141.9	79%	0.788	78%	0.776	S	S	*	*			trans	-71.6	152.8	-158.3	170.3	0	0	0	0	115.6
33	G	33.4	Very low	34.8	Very low	56 Å²	56	140.4 Å²	140.4	58%	0.577	78%	0.783	S	S	*	*				132.2	31	121.9	0	0	0	0	0	125
34	K	37.6	Very low	34.9	Very low	204 Å²	204	138.4 Å²	138.4	89%	0.887	78%	0.776	S	S	*	*			trans	-157.8	125.5	155.4	-133.4	75.3	169.4	-172	0	115.1
35	C	26.7	Very low	35	Very low	124 Å²	124	135.7 Å²	135.7	84%	0.838	77%	0.77	S	S	*	*			trans	-104.7	140.7	169.9	-60.9	0	0	0	0	111.7
36	P	40.7	Very low	34.8	Very low	127 Å²	127	136.8 Å²	136.8	83%	0.825	78%	0.777	S	S	*	*			trans	-101.7	131.9	148	2.5	18.2	0	0	0	109.8
37	S	36.9	Very low	34.4	Very low	104 Å²	104	136.7 Å²	136.7	73%	0.727	77%	0.771	S	S	*	*			trans	-73.7	156	-168	-48.8	0	0	0	0	116.1
38	D	33.1	Very low	34.5	Very low	132 Å²	132	135.7 Å²	135.7	71%	0.706	77%	0.77	S	S	*	*			trans	42.2	93.1	147	-63.6	-49.7	0	0	0	119
39	K	34.7	Very low	34.3	Very low	205 Å²	205	138.8 Å²	138.8	89%	0.891	77%	0.774	S	S	*	*				-130.8	89.3	122.6	-68.6	-166.1	178.4	178.7	0	110.3	K41	K39-K41 PolarHBondContact O-N 2.64Å
40	Q	32.6	Very low	34	Very low	174 Å²	174	137.1 Å²	137.1	81%	0.813	77%	0.768	S	S	*	*			trans	-54	110.7	156.3	-73.1	-179.5	-49.9	0	0	107.7
41	K	33.3	Very low	33.7	Very low	201 Å²	201	140.9 Å²	140.9	87%	0.874	77%	0.771	S	S	*	*			trans	-113.7	80.7	161.9	-155.7	-178.1	-174.7	-166.3	0	106	K39 A43	K39-K41 PolarHBondContact O-N 2.64Å; K41-A43 PolarHBondContact O-N 2.82Å
42	E	35	Very low	33.5	Very low	162 Å²	162	142 Å²	142	76%	0.757	77%	0.768	S	S	*	*			trans	-49.1	132.8	-176.3	-162.9	154.1	-160.7	0	0	109.7	E44	E42-E44 PolarHBondContact O-N 3.49Å
43	A	32.8	Very low	33.1	Very low	104 Å²	104	144 Å²	144	86%	0.86	77%	0.769	S	S	*	*			trans	-77.3	56.4	174.6	0	0	0	0	0	109	K41 L45	K41-A43 PolarHBondContact O-N 2.82Å; A43-L45 PolarHBondContact O-N 3.04Å; A43-L45 VanDerWaalsContact O-N 3.15Å
44	E	35.1	Very low	33	Very low	142 Å²	142	145.6 Å²	145.6	66%	0.664	77%	0.767	S	S	*	*			trans	-57.5	120.3	175.2	-154.5	177.9	-172.8	0	0	106.9	E42	E42-E44 PolarHBondContact O-N 3.49Å
45	L	36.1	Very low	32.9	Very low	141 Å²	141	143.6 Å²	143.6	74%	0.738	77%	0.765	S	S	*	*			trans	-45	145.1	160.3	-77.7	147.4	0	0	0	107.5	A43 I47	A43-L45 PolarHBondContact O-N 3.04Å; A43-L45 VanDerWaalsContact O-N 3.15Å; L45-I47 PolarHBondContact O-N 3.38Å
46	P	28.8	Very low	33.1	Very low	112 Å²	112	146.2 Å²	146.2	73%	0.727	77%	0.765	S	S	*	*			trans	-64.6	85.8	161.7	29.3	-32.4	0	0	0	107.3	V48	P46-V48 PolarHBondContact O-N 3.3Å
47	I	28.6	Very low	33	Very low	119 Å²	119	147 Å²	147	61%	0.61	76%	0.762	S	S	*	*			trans	-57.7	92.9	152.4	-60	176.8	0	0	0	102.7	L45 E49	L45-I47 PolarHBondContact O-N 3.38Å; I47-E49 HydrophobicContact CG2-CB 4.41Å; I47-E49 PolarHBondContact O-N 3.41Å
48	V	33.4	Very low	33	Very low	125 Å²	125	146.4 Å²	146.4	76%	0.758	75%	0.754	S	S	*	*			trans	-65.4	78.6	157.9	-179	0	0	0	0	103.7	P46 S50	P46-V48 PolarHBondContact O-N 3.3Å; V48-S50 PolarHBondContact O-N 2.87Å
49	E	32.2	Very low	33.1	Very low	164 Å²	164	148.1 Å²	148.1	77%	0.766	76%	0.763	S	S	*	*			trans	-47.1	122.3	170.4	177.4	177.1	-146.2	0	0	104.2	I47 Q51	I47-E49 HydrophobicContact CG2-CB 4.41Å; I47-E49 PolarHBondContact O-N 3.41Å; E49-Q51 PolarHBondContact O-N 2.99Å
50	S	30.6	Very low	33.8	Very low	108 Å²	108	144 Å²	144	76%	0.755	75%	0.751	S	S	*	*			trans	-62.7	90.6	-164.6	-171.4	0	0	0	0	108.7	V48 K52	V48-S50 PolarHBondContact O-N 2.87Å; S50-K52 VanDerWaalsContact C-N 3.34Å; S50-K52 PolarHBondContact O-N 3.02Å
51	Q	31.7	Very low	34.9	Very low	166 Å²	166	141.1 Å²	141.1	78%	0.776	74%	0.737	S	S	*	*			trans	-56.6	114	164.2	-78.8	-157.9	-8	0	0	103.2	E49 E53	E49-Q51 PolarHBondContact O-N 2.99Å; Q51-E53 PolarHBondContact O-N 3.27Å
52	K	30	Very low	36	Very low	182 Å²	182	137.1 Å²	137.1	79%	0.791	73%	0.732	S	S	*	*			trans	-75.7	59.4	178.5	-165.1	-172.2	172.9	-173.5	0	107.6	S50 T54	S50-K52 VanDerWaalsContact C-N 3.34Å; S50-K52 PolarHBondContact O-N 3.02Å; K52-T54 WeakPolarHBondContact O-CB 3.24Å; K52-T54 PolarHBondContact O-N 3.44Å; K52-T54 PolarHBondContact O-OG1 3.08Å
53	E	32.3	Very low	37.3	Very low	173 Å²	173	135.3 Å²	135.3	81%	0.808	73%	0.727	S	S	*	*			trans	-65.3	57.1	158.2	-160.7	174.4	-137.2	0	0	107.6	Q51	Q51-E53 PolarHBondContact O-N 3.27Å
54	T	31.2	Very low	39	Very low	88 Å²	88	132.5 Å²	132.5	54%	0.54	70%	0.696	S	S	.	*				-27.3	134.9	129	-44.7	0	0	0	0	107.8	K52 E56	K52-T54 WeakPolarHBondContact O-CB 3.24Å; K52-T54 PolarHBondContact O-N 3.44Å; K52-T54 PolarHBondContact O-OG1 3.08Å; T54-E56 PolarHBondContact O-N 2.98Å
55	L	34.1	Very low	41	Very low	162 Å²	162	128 Å²	128	85%	0.848	68%	0.68	S	S	*	*			trans	-63.7	75.8	176.5	-79.3	145.8	0	0	0	111.1	L57	L55-L57 PolarHBondContact O-N 3.05Å
56	E	31.2	Very low	43	Very low	179 Å²	179	124 Å²	124	84%	0.836	66%	0.657	S	S	*	*			trans	-69.5	68.5	146.5	-67.7	-172	-177.9	0	0	106.3	T54 T58	T54-E56 PolarHBondContact O-N 2.98Å; E56-T58 PolarHBondContact O-N 3.08Å; E56-T58 VanDerWaalsContact O-N 3.08Å
57	L	38.2	Very low	45.3	Very low	143 Å²	143	123.7 Å²	123.7	75%	0.749	65%	0.649	S	S	*	*			trans	-44.5	112.8	143.3	-177.3	81.4	0	0	0	105.2	L55 D59	L55-L57 PolarHBondContact O-N 3.05Å; L57-D59 PolarHBondContact O-N 3.48Å
58	T	37.3	Very low	47.7	Very low	93 Å²	93	123.1 Å²	123.1	57%	0.571	64%	0.644	S	S	*	*			trans	-52.6	137.5	176.3	31	0	0	0	0	108.9	E56 D60	E56-T58 PolarHBondContact O-N 3.08Å; E56-T58 VanDerWaalsContact O-N 3.08Å; T58-D60 VanDerWaalsContact CB-OD2 3.27Å; T58-D60 WeakPolarHBondContact CB-OD2 3.47Å; T58-D60 PolarHBondContact O-N 3.28Å; T58-D60 PolarHBondContact OG1-OD2 2.76Å
59	D	36.6	Very low	49.8	Very low	167 Å²	167	117.8 Å²	117.8	89%	0.893	61%	0.61	S	S	*	*			trans	-71	59.8	-176	-78.3	-54.2	0	0	0	111.6	L57 E61	L57-D59 PolarHBondContact O-N 3.48Å; D59-E61 VanDerWaalsContact C-N 3.27Å; D59-E61 PolarHBondContact O-N 2.74Å
60	D	48.9	Very low	52	Low	120 Å²	120	111.3 Å²	111.3	64%	0.642	58%	0.582	S	S	*	*			trans	-81.2	67.2	-170.1	-70.8	-46.3	0	0	0	111.8	T58	T58-D60 VanDerWaalsContact CB-OD2 3.27Å; T58-D60 WeakPolarHBondContact CB-OD2 3.47Å; T58-D60 PolarHBondContact O-N 3.28Å; T58-D60 PolarHBondContact OG1-OD2 2.76Å
61	E	54.8	Low	54.4	Low	112 Å²	112	113.9 Å²	113.9	52%	0.523	58%	0.575	S	S	.	*			trans	54.4	119.6	-171.2	-79.9	-167.5	167.2	0	0	114.9	D59 L63 Q64 R72	D59-E61 VanDerWaalsContact C-N 3.27Å; D59-E61 PolarHBondContact O-N 2.74Å; E61-L63 PolarHBondContact O-N 2.66Å; E61-Q64 PolarHBondContact OE2-NE2 3.26Å; E61-R72 IonicContact OE1-CZ 2.79Å; E61-R72 IonicContact OE1-NH1 3.98Å; E61-R72 PolarHBondContact OE1-NH1 3.08Å; E61-R72 IonicContact OE1-NH2 3.54Å; E61-R72 IonicContact OE2-NH1 3.78Å
62	P	56.8	Low	56.7	Low	118 Å²	118	111.1 Å²	111.1	77%	0.766	56%	0.558	S	S	*	*			trans	-59.1	136.3	163.1	28.1	-33.6	0	0	0	108.6	Q64	P62-Q64 PolarHBondContact O-N 2.9Å
63	L	63.1	Low	59	Low	124 Å²	124	104.9 Å²	104.9	65%	0.649	53%	0.531	S	S	*	.			trans	-46.1	101.5	-178.6	-75.4	167	0	0	0	110.7	E61 S65 L552	E61-L63 PolarHBondContact O-N 2.66Å; L63-S65 PolarHBondContact O-N 3.2Å; L63-L552 HydrophobicContact CD2-CD1 3.81Å
64	Q	68.2	Low	61.1	Low	44 Å²	44	100.4 Å²	100.4	21%	0.206	51%	0.512	C	S	.	.			trans	-52.5	128.1	-173.4	-66.1	178.1	34.8	0	0	109.2	E61 P62 W69 Y548	E61-Q64 PolarHBondContact OE2-NE2 3.26Å; P62-Q64 PolarHBondContact O-N 2.9Å; Q64-W69 HydrophobicContact CB-CB 4.29Å; Q64-Y548 PolarHBondContact O-OH 3.4Å; Q64-Y548 VanDerWaalsContact O-OH 3.07Å
65	S	76.9	Confident	63.3	Low	48 Å²	48	101.3 Å²	101.3	34%	0.336	51%	0.51	S	S	.	.			trans	-61.3	151.9	175.7	68.1	0	0	0	0	109.9	L63 D67 E68 W69	L63-S65 PolarHBondContact O-N 3.2Å; S65-D67 PolarHBondContact O-N 2.86Å; S65-D67 VanDerWaalsContact O-N 3.1Å; S65-E68 VanDerWaalsContact CB-OE2 3.25Å; S65-E68 WeakPolarHBondContact CB-OE2 3.42Å; S65-E68 PolarHBondContact N-OE2 3.39Å; S65-E68 PolarHBondContact O-N 3.5Å; S65-E68 VanDerWaalsContact OG-CG 3.27Å; S65-E68 WeakPolarHBondContact OG-CG 3.09Å; S65-E68 PolarHBondContact OG-N 3.4Å; S65-E68 PolarHBondContact OG-OE2 2.88Å; S65-W69 PolarHBondContact O-N 3.26Å
66	F	77.7	Confident	65.1	Low	56 Å²	56	97 Å²	97	25%	0.246	49%	0.486	C	S	.	.	H	α-helix	trans	-54.4	-34.3	180	174.9	-108.4	0	0	0	112.3	W69 T70 N541 L544 Y548	F66-W69 HydrophobicContact CE2-CE3 4.45Å; F66-T70 WeakPolarHBondContact CE2-OG1 3.48Å; F66-T70 WeakPolarHBondContact CZ-OG1 3.42Å; F66-T70 WeakPolarHBondContact O-CB 3.35Å; F66-T70 PolarHBondContact O-N 2.91Å; F66-T70 PolarHBondContact O-OG1 3Å; F66-N541 WeakPolarHBondContact CZ-OD1 3.09Å; F66-L544 HydrophobicContact CZ-CB 4.45Å; F66-Y548 HydrophobicContact CB-CE1 4.32Å; F66-Y548 AromaticContact CD2-CD1 3.84Å; F66-Y548 HydrophobicContact CD2-CD1 3.84Å; F66-Y548 HydrophobicContact CD2-CD2 4.23Å; F66-Y548 HydrophobicContact CD2-CE1 4.45Å; F66-Y548 AromaticContact CD2-CG 3.71Å; F66-Y548 HydrophobicContact CD2-CG 3.71Å; F66-Y548 HydrophobicContact CE2-CG 4.39Å
67	D	77.8	Confident	66.6	Low	106 Å²	106	94 Å²	94	57%	0.567	47%	0.471	S	S	*	.	H	α-helix	trans	-70.3	-38.5	176.5	-66.7	-40.9	0	0	0	112.9	S65 R71	S65-D67 PolarHBondContact O-N 2.86Å; S65-D67 VanDerWaalsContact O-N 3.1Å; D67-R71 WeakPolarHBondContact O-CB 3.29Å; D67-R71 WeakPolarHBondContact O-CG 3.41Å; D67-R71 PolarHBondContact O-N 3.45Å
68	E	78.7	Confident	67.9	Low	107 Å²	107	94.7 Å²	94.7	50%	0.5	46%	0.464	S	S	.	.	H	α-helix	trans	-70.3	-46.5	175.8	-72.2	162.5	138.2	0	0	111.6	S65 T70 R71 R72	S65-E68 VanDerWaalsContact CB-OE2 3.25Å; S65-E68 WeakPolarHBondContact CB-OE2 3.42Å; S65-E68 PolarHBondContact N-OE2 3.39Å; S65-E68 PolarHBondContact O-N 3.5Å; S65-E68 VanDerWaalsContact OG-CG 3.27Å; S65-E68 WeakPolarHBondContact OG-CG 3.09Å; S65-E68 PolarHBondContact OG-N 3.4Å; S65-E68 PolarHBondContact OG-OE2 2.88Å; E68-T70 VanDerWaalsContact C-N 3.31Å; E68-T70 PolarHBondContact O-N 3.23Å; E68-R71 PolarHBondContact O-N 3.38Å; E68-R72 WeakPolarHBondContact O-CB 3.42Å; E68-R72 PolarHBondContact O-N 2.87Å
69	W	77.8	Confident	69	Low	13 Å²	13	95.9 Å²	95.9	5%	0.049	47%	0.466	C	S	.	.	H	α-helix	trans	-59.5	-42.9	174.4	179.9	94.6	0	0	0	111.1	Q64 S65 F66 R72 K73 L544 Q547 Y548 E551	Q64-W69 HydrophobicContact CB-CB 4.29Å; S65-W69 PolarHBondContact O-N 3.26Å; F66-W69 HydrophobicContact CE2-CE3 4.45Å; W69-R72 PolarHBondContact O-N 3.36Å; W69-K73 HydrophobicContact CD2-CG 3.86Å; W69-K73 HydrophobicContact CE3-CG 4.08Å; W69-K73 HydrophobicContact CH2-CG 3.87Å; W69-K73 HydrophobicContact CZ2-CD 4.05Å; W69-K73 HydrophobicContact CZ2-CG 3.67Å; W69-K73 HydrophobicContact CZ3-CG 4.07Å; W69-K73 WeakPolarHBondContact O-CB 3.42Å; W69-K73 WeakPolarHBondContact O-CG 3.47Å; W69-K73 PolarHBondContact O-N 3.3Å; W69-L544 HydrophobicContact CH2-CD2 4.23Å; W69-L544 WeakPolarHBondContact CH2-O 3.47Å; W69-L544 HydrophobicContact CZ3-CB 4.23Å; W69-L544 HydrophobicContact CZ3-CD2 3.86Å; W69-L544 VanDerWaalsContact CZ3-O 3.28Å; W69-L544 WeakPolarHBondContact CZ3-O 3.47Å; W69-Q547 HydrophobicContact CH2-CB 3.67Å; W69-Q547 HydrophobicContact CZ2-CB 4.2Å; W69-Y548 HydrophobicContact CB-CD2 3.92Å; W69-Y548 HydrophobicContact CB-CE2 4.06Å; W69-Y548 AromaticContact CD2-CD2 3.68Å; W69-Y548 HydrophobicContact CD2-CD2 3.68Å; W69-Y548 HydrophobicContact CD2-CG 4.39Å; W69-Y548 HydrophobicContact CE3-CD2 4.06Å; W69-Y548 HydrophobicContact CE3-CG 4.4Å; W69-Y548 AromaticContact CG-CD2 3.61Å; W69-Y548 HydrophobicContact CG-CD2 3.61Å; W69-Y548 HydrophobicContact CG-CE2 4.15Å; W69-E551 PolarHBondContact NE1-OE2 2.82Å
70	T	78.4	Confident	70.1	Confident	29 Å²	29	91.4 Å²	91.4	18%	0.178	45%	0.445	C	S	.	.	H	α-helix	trans	-65	-41	177.7	-65.3	0	0	0	0	112	F66 E68 L74 L544	F66-T70 WeakPolarHBondContact CE2-OG1 3.48Å; F66-T70 WeakPolarHBondContact CZ-OG1 3.42Å; F66-T70 WeakPolarHBondContact O-CB 3.35Å; F66-T70 PolarHBondContact O-N 2.91Å; F66-T70 PolarHBondContact O-OG1 3Å; E68-T70 VanDerWaalsContact C-N 3.31Å; E68-T70 PolarHBondContact O-N 3.23Å; T70-L74 WeakPolarHBondContact O-CB 3.39Å; T70-L74 PolarHBondContact O-N 3.24Å; T70-L544 HydrophobicContact CG2-CD1 4.12Å
71	R	81.3	Confident	70.2	Confident	162 Å²	162	87.7 Å²	87.7	61%	0.611	43%	0.431	S	S	*	.	H	α-helix	trans	-61	-50.7	172.6	-74.5	168.2	-170.5	178.6	5.6	110.9	D67 E68 K73 L74 E75	D67-R71 WeakPolarHBondContact O-CB 3.29Å; D67-R71 WeakPolarHBondContact O-CG 3.41Å; D67-R71 PolarHBondContact O-N 3.45Å; E68-R71 PolarHBondContact O-N 3.38Å; R71-K73 VanDerWaalsContact C-N 3.34Å; R71-K73 PolarHBondContact O-N 2.9Å; R71-L74 PolarHBondContact O-N 2.86Å; R71-L74 VanDerWaalsContact O-N 3.17Å; R71-E75 WeakPolarHBondContact O-CB 3.37Å; R71-E75 WeakPolarHBondContact O-CG 3.41Å; R71-E75 PolarHBondContact O-N 3.39Å
72	R	80.3	Confident	69.8	Low	108 Å²	108	86.5 Å²	86.5	41%	0.408	43%	0.431	S	S	.	.	H	α-helix	trans	-57.6	-43.2	179.2	-174.2	174.2	179.3	162.8	1.9	111.9	E61 E68 W69 E75 E76	E61-R72 IonicContact OE1-CZ 2.79Å; E61-R72 IonicContact OE1-NH1 3.98Å; E61-R72 PolarHBondContact OE1-NH1 3.08Å; E61-R72 IonicContact OE1-NH2 3.54Å; E61-R72 IonicContact OE2-NH1 3.78Å; E68-R72 WeakPolarHBondContact O-CB 3.42Å; E68-R72 PolarHBondContact O-N 2.87Å; W69-R72 PolarHBondContact O-N 3.36Å; R72-E75 PolarHBondContact O-N 3.35Å; R72-E76 IonicContact NE-OE1 3.18Å; R72-E76 WeakPolarHBondContact O-CB 3.44Å; R72-E76 VanDerWaalsContact O-CG 3.27Å; R72-E76 WeakPolarHBondContact O-CG 3.26Å; R72-E76 PolarHBondContact O-N 2.9Å
73	K	77.9	Confident	69.6	Low	50 Å²	50	85.6 Å²	85.6	22%	0.217	42%	0.424	C	S	.	.	H	α-helix	trans	-68.2	-39.1	176.2	-70.2	-71.4	162	-150.4	0	113.3	W69 R71 E75 E76 Q77	W69-K73 HydrophobicContact CD2-CG 3.86Å; W69-K73 HydrophobicContact CE3-CG 4.08Å; W69-K73 HydrophobicContact CH2-CG 3.87Å; W69-K73 HydrophobicContact CZ2-CD 4.05Å; W69-K73 HydrophobicContact CZ2-CG 3.67Å; W69-K73 HydrophobicContact CZ3-CG 4.07Å; W69-K73 WeakPolarHBondContact O-CB 3.42Å; W69-K73 WeakPolarHBondContact O-CG 3.47Å; W69-K73 PolarHBondContact O-N 3.3Å; R71-K73 VanDerWaalsContact C-N 3.34Å; R71-K73 PolarHBondContact O-N 2.9Å; K73-E75 VanDerWaalsContact C-N 3.32Å; K73-E76 WeakPolarHBondContact CD-OE2 3.34Å; K73-E76 IonicContact NZ-OE1 2.61Å; K73-E76 IonicContact NZ-OE2 3.2Å; K73-E76 PolarHBondContact NZ-OE2 3.14Å; K73-E76 PolarHBondContact O-N 2.85Å; K73-Q77 WeakPolarHBondContact O-CB 3.15Å; K73-Q77 WeakPolarHBondContact O-CG 3.43Å; K73-Q77 PolarHBondContact O-N 2.79Å
74	L	76.2	Confident	68.6	Low	79 Å²	79	82 Å²	82	41%	0.414	41%	0.412	S	S	.	.	H	α-helix	trans	-68.9	-32.2	175.8	-166.6	70.5	0	0	0	111.9	T70 R71 R78	T70-L74 WeakPolarHBondContact O-CB 3.39Å; T70-L74 PolarHBondContact O-N 3.24Å; R71-L74 PolarHBondContact O-N 2.86Å; R71-L74 VanDerWaalsContact O-N 3.17Å; L74-R78 WeakPolarHBondContact O-CD 3.31Å; L74-R78 VanDerWaalsContact O-CG 3.24Å; L74-R78 WeakPolarHBondContact O-CG 3.31Å; L74-R78 PolarHBondContact O-N 3.27Å; L74-R78 VanDerWaalsContact O-N 3.12Å
75	E	76.9	Confident	67.1	Low	108 Å²	108	85.5 Å²	85.5	51%	0.505	43%	0.432	S	S	.	.	H	α-helix	trans	-73.8	-43.1	173.1	-73.9	169.3	-168.7	0	0	111.9	R71 R72 K73 Q77 R78 L79	R71-E75 WeakPolarHBondContact O-CB 3.37Å; R71-E75 WeakPolarHBondContact O-CG 3.41Å; R71-E75 PolarHBondContact O-N 3.39Å; R72-E75 PolarHBondContact O-N 3.35Å; K73-E75 VanDerWaalsContact C-N 3.32Å; E75-Q77 VanDerWaalsContact C-N 3.33Å; E75-Q77 PolarHBondContact O-N 3.05Å; E75-R78 PolarHBondContact O-N 3.2Å; E75-R78 VanDerWaalsContact O-N 3.17Å; E75-L79 WeakPolarHBondContact O-CB 3.19Å; E75-L79 WeakPolarHBondContact O-CG 3.47Å; E75-L79 PolarHBondContact O-N 2.98Å
76	E	72.6	Confident	65.5	Low	72 Å²	72	88.7 Å²	88.7	34%	0.336	45%	0.45	S	S	.	.	H	α-helix	trans	-56.4	-45.6	171.3	-77.5	170	-169.8	0	0	111.1	R72 K73 R78 L79 V80	R72-E76 IonicContact NE-OE1 3.18Å; R72-E76 WeakPolarHBondContact O-CB 3.44Å; R72-E76 VanDerWaalsContact O-CG 3.27Å; R72-E76 WeakPolarHBondContact O-CG 3.26Å; R72-E76 PolarHBondContact O-N 2.9Å; K73-E76 WeakPolarHBondContact CD-OE2 3.34Å; K73-E76 IonicContact NZ-OE1 2.61Å; K73-E76 IonicContact NZ-OE2 3.2Å; K73-E76 PolarHBondContact NZ-OE2 3.14Å; K73-E76 PolarHBondContact O-N 2.85Å; E76-R78 PolarHBondContact O-N 3.01Å; E76-L79 PolarHBondContact O-N 2.8Å; E76-V80 WeakPolarHBondContact O-CB 3.42Å; E76-V80 VanDerWaalsContact O-CG2 3.3Å; E76-V80 WeakPolarHBondContact O-CG2 3.37Å; E76-V80 PolarHBondContact O-N 3.11Å
77	Q	63.4	Low	63.8	Low	114 Å²	114	92.1 Å²	92.1	53%	0.533	48%	0.475	S	S	.	.	H	α-helix	trans	-62.1	-40.7	174.9	-75.7	176.6	-8.5	0	0	113	K73 E75 A81	K73-Q77 WeakPolarHBondContact O-CB 3.15Å; K73-Q77 WeakPolarHBondContact O-CG 3.43Å; K73-Q77 PolarHBondContact O-N 2.79Å; E75-Q77 VanDerWaalsContact C-N 3.33Å; E75-Q77 PolarHBondContact O-N 3.05Å; Q77-A81 PolarHBondContact O-N 2.94Å; Q77-A81 VanDerWaalsContact O-N 3.1Å
78	R	64.5	Low	61.8	Low	159 Å²	159	91.5 Å²	91.5	60%	0.6	47%	0.474	S	S	*	.	H	α-helix	trans	-66.6	-43.4	176.7	-77.2	167	171.8	-179	-4.4	112.4	L74 E75 E76 A81 T82	L74-R78 WeakPolarHBondContact O-CD 3.31Å; L74-R78 VanDerWaalsContact O-CG 3.24Å; L74-R78 WeakPolarHBondContact O-CG 3.31Å; L74-R78 PolarHBondContact O-N 3.27Å; L74-R78 VanDerWaalsContact O-N 3.12Å; E75-R78 PolarHBondContact O-N 3.2Å; E75-R78 VanDerWaalsContact O-N 3.17Å; E76-R78 PolarHBondContact O-N 3.01Å; R78-A81 WeakPolarHBondContact O-CB 3.24Å; R78-A81 PolarHBondContact O-N 3.4Å; R78-T82 PolarHBondContact O-N 3.19Å; R78-T82 PolarHBondContact O-OG1 3.43Å
79	L	61.1	Low	59.5	Low	117 Å²	117	94.7 Å²	94.7	61%	0.613	50%	0.495	S	S	*	.	H	α-helix	trans	-64.8	-40.4	177.8	-70.3	170.2	0	0	0	111.4	E75 E76 A81 T82 V83	E75-L79 WeakPolarHBondContact O-CB 3.19Å; E75-L79 WeakPolarHBondContact O-CG 3.47Å; E75-L79 PolarHBondContact O-N 2.98Å; E76-L79 PolarHBondContact O-N 2.8Å; L79-A81 VanDerWaalsContact C-N 3.33Å; L79-A81 PolarHBondContact O-N 3.14Å; L79-T82 PolarHBondContact O-N 3.2Å; L79-V83 WeakPolarHBondContact O-CG2 3.48Å; L79-V83 PolarHBondContact O-N 3.18Å
80	V	58.6	Low	57.3	Low	74 Å²	74	97 Å²	97	45%	0.448	52%	0.522	S	S	.	.	H	α-helix	trans	-61.4	-40.1	173.6	168.9	0	0	0	0	111.5	E76 A84	E76-V80 WeakPolarHBondContact O-CB 3.42Å; E76-V80 VanDerWaalsContact O-CG2 3.3Å; E76-V80 WeakPolarHBondContact O-CG2 3.37Å; E76-V80 PolarHBondContact O-N 3.11Å; V80-A84 PolarHBondContact O-N 3.4Å; V80-A84 VanDerWaalsContact O-N 3.15Å
81	A	51.8	Low	54.9	Low	42 Å²	42	103.7 Å²	103.7	35%	0.347	56%	0.557	S	S	.	*	H	α-helix	trans	-63.4	-48.5	173.7	0	0	0	0	0	112.3	Q77 R78 L79 V83 A84 D85	Q77-A81 PolarHBondContact O-N 2.94Å; Q77-A81 VanDerWaalsContact O-N 3.1Å; R78-A81 WeakPolarHBondContact O-CB 3.24Å; R78-A81 PolarHBondContact O-N 3.4Å; L79-A81 VanDerWaalsContact C-N 3.33Å; L79-A81 PolarHBondContact O-N 3.14Å; A81-V83 VanDerWaalsContact C-N 3.26Å; A81-V83 PolarHBondContact O-N 2.89Å; A81-A84 WeakPolarHBondContact O-CB 3.47Å; A81-A84 PolarHBondContact O-N 3.45Å; A81-D85 PolarHBondContact O-N 3.48Å; A81-D85 VanDerWaalsContact O-N 3.08Å
82	T	46.5	Very low	52.4	Low	86 Å²	86	99 Å²	99	53%	0.528	56%	0.559	S	S	.	*	H	α-helix	trans	-64.5	-28.2	-178.8	-44.9	0	0	0	0	113.4	R78 L79 T86	R78-T82 PolarHBondContact O-N 3.19Å; R78-T82 PolarHBondContact O-OG1 3.43Å; L79-T82 PolarHBondContact O-N 3.2Å; T82-T86 PolarHBondContact O-OG1 3.16Å
83	V	52.1	Low	50.3	Low	100 Å²	100	98.3 Å²	98.3	61%	0.606	58%	0.576	S	S	*	*	H	α-helix	trans	-77.8	-29.5	173.5	173.7	0	0	0	0	112	L79 A81 T86	L79-V83 WeakPolarHBondContact O-CG2 3.48Å; L79-V83 PolarHBondContact O-N 3.18Å; A81-V83 VanDerWaalsContact C-N 3.26Å; A81-V83 PolarHBondContact O-N 2.89Å; V83-T86 PolarHBondContact O-OG1 3.44Å
84	A	41.7	Very low	48.1	Very low	49 Å²	49	102 Å²	102	41%	0.405	61%	0.606	S	S	.	*	H	α-helix	trans	-67.4	-44.1	172.3	0	0	0	0	0	111.5	V80 A81 T86 V87	V80-A84 PolarHBondContact O-N 3.4Å; V80-A84 VanDerWaalsContact O-N 3.15Å; A81-A84 WeakPolarHBondContact O-CB 3.47Å; A81-A84 PolarHBondContact O-N 3.45Å; A84-T86 PolarHBondContact O-N 2.74Å; A84-T86 VanDerWaalsContact O-N 3.13Å; A84-V87 PolarHBondContact O-N 3.49Å
85	D	37.5	Very low	46.2	Very low	117 Å²	117	101.8 Å²	101.8	63%	0.626	62%	0.615	S	S	*	*	H	α-helix	trans	-63.2	-19.7	-177.7	-66	-29.7	0	0	0	114	A81	A81-D85 PolarHBondContact O-N 3.48Å; A81-D85 VanDerWaalsContact O-N 3.08Å
86	T	42.9	Very low	44	Very low	115 Å²	115	101 Å²	101	71%	0.706	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	0	-178.1	40.2	0	0	0	0	114.9	T82 V83 A84	T82-T86 PolarHBondContact O-OG1 3.16Å; V83-T86 PolarHBondContact O-OG1 3.44Å; A84-T86 PolarHBondContact O-N 2.74Å; A84-T86 VanDerWaalsContact O-N 3.13Å
87	V	42.2	Very low	42.4	Very low	127 Å²	127	101.4 Å²	101.4	77%	0.77	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.6	-13.3	172.4	-176.5	0	0	0	0	111.9	A84 N89	A84-V87 PolarHBondContact O-N 3.49Å; V87-N89 PolarHBondContact O-N 3.28Å
88	V	35.1	Very low	41.1	Very low	93 Å²	93	99 Å²	99	56%	0.564	64%	0.643	S	S	*	*			trans	-101	82.8	-174.1	-173.8	0	0	0	0	111.5
89	N	31.4	Very low	40.1	Very low	175 Å²	175	97.3 Å²	97.3	94%	0.936	65%	0.652	S	S	*	*			trans	-121.3	64.8	159.2	-160.4	8.5	0	0	0	109.5	V87	V87-N89 PolarHBondContact O-N 3.28Å
90	G	30.4	Very low	39.4	Very low	60 Å²	60	94.9 Å²	94.9	62%	0.619	64%	0.639	S	S	*	*	S	Bend	trans	179.8	73.5	-170.3	0	0	0	0	0	112.8
91	N	29.4	Very low	39.2	Very low	171 Å²	171	93.8 Å²	93.8	91%	0.914	64%	0.638	S	S	*	*	S	Bend	trans	42.4	92.7	162.5	-63.3	-4.1	0	0	0	119.1
92	G	29	Very low	39.9	Very low	63 Å²	63	95.6 Å²	95.6	65%	0.649	65%	0.653	S	S	*	*	S	Bend	trans	117.6	135.8	141.2	0	0	0	0	0	117.9
93	A	34.5	Very low	41.7	Very low	93 Å²	93	95.9 Å²	95.9	77%	0.769	64%	0.644	S	S	*	*			trans	58.9	102.5	167	0	0	0	0	0	118
94	P	33.2	Very low	43.5	Very low	129 Å²	129	92.1 Å²	92.1	84%	0.838	62%	0.621	S	S	*	*			trans	-77.4	124.4	167.4	32.1	-31.7	0	0	0	110.7
95	A	35.3	Very low	46	Very low	74 Å²	74	89.8 Å²	89.8	61%	0.612	60%	0.602	S	S	*	*			trans	-136	96.7	176.2	0	0	0	0	0	110.7	A97	A95-A97 PolarHBondContact O-N 2.99Å
96	A	31.2	Very low	48.6	Very low	91 Å²	91	84.2 Å²	84.2	75%	0.752	57%	0.572	S	S	*	*			trans	-66.1	126.4	173	0	0	0	0	0	110.4
97	A	37.9	Very low	50.9	Low	80 Å²	80	79.6 Å²	79.6	66%	0.661	54%	0.544	S	S	*	.			trans	-132.3	134.3	173.8	0	0	0	0	0	110	A95	A95-A97 PolarHBondContact O-N 2.99Å
98	A	37.2	Very low	53.2	Low	65 Å²	65	79.3 Å²	79.3	54%	0.537	53%	0.532	S	S	.	.			trans	-70.1	166.4	177.8	0	0	0	0	0	111.4	I100	A98-I100 VanDerWaalsContact C-N 3.26Å; A98-I100 HydrophobicContact CB-CD1 4.47Å; A98-I100 HydrophobicContact CB-CG1 4.43Å; A98-I100 PolarHBondContact O-N 3.43Å
99	P	42.5	Very low	55.7	Low	123 Å²	123	80.8 Å²	80.8	80%	0.799	54%	0.537	S	S	*	.	S	Bend	trans	-74.6	72	-174.7	31.1	-36.9	0	0	0	113.1
100	I	47.3	Very low	58.4	Low	65 Å²	65	74 Å²	74	33%	0.333	50%	0.503	S	S	.	.			trans	-88.2	-33	-174.4	-66	166	0	0	0	111.9	A98 A102 E267	A98-I100 VanDerWaalsContact C-N 3.26Å; A98-I100 HydrophobicContact CB-CD1 4.47Å; A98-I100 HydrophobicContact CB-CG1 4.43Å; A98-I100 PolarHBondContact O-N 3.43Å; I100-A102 PolarHBondContact O-N 3.07Å; I100-E267 HydrophobicContact CG2-CB 4.38Å; I100-E267 HydrophobicContact CG2-CG 4.35Å; I100-E267 WeakPolarHBondContact CG2-OE2 3.36Å
101	A	54.4	Low	61.3	Low	51 Å²	51	73.3 Å²	73.3	42%	0.421	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	26.9	-173.6	0	0	0	0	0	116.4
102	A	65.9	Low	64.4	Low	81 Å²	81	65.4 Å²	65.4	67%	0.669	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	-3.5	-178.1	0	0	0	0	0	114.1	I100	I100-A102 PolarHBondContact O-N 3.07Å
103	R	84.3	Confident	67.5	Low	92 Å²	92	69.3 Å²	69.3	35%	0.347	45%	0.45	S	S	.	.			trans	-80.3	131.8	-179.1	-175.1	171.3	175.6	-148.1	-4.1	111.4	Y105 C110 E176 L261 E267	R103-Y105 HydrophobicContact CB-CE2 4Å; R103-Y105 HydrophobicContact CG-CE1 4.23Å; R103-Y105 HydrophobicContact CG-CE2 4.22Å; R103-Y105 WeakPolarHBondContact O-CD2 3.27Å; R103-C110 PolarHBondContact NH2-SG 2.98Å; R103-E176 IonicContact CZ-OE1 3.54Å; R103-E176 VanDerWaalsContact NH1-CD 3.34Å; R103-E176 IonicContact NH1-OE1 3.98Å; R103-E176 PolarHBondContact NH1-OE1 2.95Å; R103-E176 IonicContact NH1-OE2 2.72Å; R103-E176 PolarHBondContact NH1-OE2 3.49Å; R103-E176 VanDerWaalsContact NH1-OE2 3.17Å; R103-E176 IonicContact NH2-OE1 3.47Å; R103-E176 PolarHBondContact NH2-OE1 3.49Å; R103-L261 VanDerWaalsContact O-CD2 3.31Å; R103-L261 WeakPolarHBondContact O-CD2 3.43Å; R103-E267 IonicContact NH1-OE1 3.7Å
104	N	91.1	Very high	70.4	Confident	21 Å²	21	66.2 Å²	66.2	11%	0.112	42%	0.42	C	S	.	.			trans	-90.4	103	175.3	178.9	19.4	0	0	0	111.5	A106 S107 R259 V260 L261	N104-A106 VanDerWaalsContact C-N 3.26Å; N104-A106 PolarHBondContact O-N 3.45Å; N104-A106 PolarHBondContact OD1-N 3.11Å; N104-S107 WeakPolarHBondContact O-CB 3.21Å; N104-S107 PolarHBondContact O-N 2.75Å; N104-S107 PolarHBondContact O-OG 3.21Å; N104-R259 HydrophobicContact CB-CB 4.36Å; N104-R259 WeakPolarHBondContact ND2-CG 3.27Å; N104-R259 VanDerWaalsContact OD1-CA 3.25Å; N104-R259 WeakPolarHBondContact OD1-CA 3.35Å; N104-R259 WeakPolarHBondContact OD1-CB 3.39Å; N104-V260 WeakPolarHBondContact CA-O 3.41Å; N104-V260 PolarHBondContact OD1-N 2.91Å; N104-V260 PolarHBondContact OD1-O 2.98Å; N104-L261 HydrophobicContact CB-CD2 4.37Å
105	Y	93	Very high	73.3	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-9.6	179.2	-65	-82.5	0	0	0	114.5	R103 A112 L174 C175 E176 V178 V260 E267	R103-Y105 HydrophobicContact CB-CE2 4Å; R103-Y105 HydrophobicContact CG-CE1 4.23Å; R103-Y105 HydrophobicContact CG-CE2 4.22Å; R103-Y105 WeakPolarHBondContact O-CD2 3.27Å; Y105-A112 WeakPolarHBondContact O-CB 3.43Å; Y105-L174 WeakPolarHBondContact O-CA 3.34Å; Y105-C175 PolarHBondContact O-N 3.03Å; Y105-C175 PolarHBondContact O-SG 2.9Å; Y105-C175 VanDerWaalsContact O-SG 3.36Å; Y105-E176 HydrophobicContact CD1-CB 4.21Å; Y105-E176 HydrophobicContact CE1-CB 4.3Å; Y105-V178 HydrophobicContact CD1-CG2 3.43Å; Y105-V178 VanDerWaalsContact CD1-CG2 3.43Å; Y105-V178 HydrophobicContact CD2-CG1 3.88Å; Y105-V178 HydrophobicContact CD2-CG2 3.79Å; Y105-V178 HydrophobicContact CE1-CG2 3.8Å; Y105-V178 HydrophobicContact CE2-CG1 4.17Å; Y105-V178 HydrophobicContact CE2-CG2 4.13Å; Y105-V178 HydrophobicContact CG-CB 4.46Å; Y105-V178 HydrophobicContact CG-CG1 4.3Å; Y105-V178 HydrophobicContact CG-CG2 3.42Å; Y105-V178 VanDerWaalsContact CG-CG2 3.42Å; Y105-V260 PolarHBondContact N-O 3.33Å; Y105-E267 PolarHBondContact OH-OE1 3.44Å; Y105-E267 PolarHBondContact OH-OE2 3.28Å
106	A	93.3	Very high	76.1	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	18.5	170.5	0	0	0	0	0	112.6	N104 L128 I172 L174 V260	N104-A106 VanDerWaalsContact C-N 3.26Å; N104-A106 PolarHBondContact O-N 3.45Å; N104-A106 PolarHBondContact OD1-N 3.11Å; A106-L128 HydrophobicContact CB-CD2 4.46Å; A106-L128 VanDerWaalsContact O-CD2 3.25Å; A106-L128 WeakPolarHBondContact O-CD2 3.21Å; A106-I172 HydrophobicContact CB-CD1 4.23Å; A106-I172 HydrophobicContact CB-CG2 4.17Å; A106-L174 HydrophobicContact CB-CD2 3.97Å; A106-V260 HydrophobicContact CB-CB 3.95Å; A106-V260 HydrophobicContact CB-CG2 3.75Å
107	S	90.4	Very high	79	Confident	17 Å²	17	59.9 Å²	59.9	12%	0.119	36%	0.359	C	S	.	.			trans	-86.3	137.5	174.3	59.2	0	0	0	0	112.1	N104 D109 C110 G111 A112	N104-S107 WeakPolarHBondContact O-CB 3.21Å; N104-S107 PolarHBondContact O-N 2.75Å; N104-S107 PolarHBondContact O-OG 3.21Å; S107-D109 PolarHBondContact O-N 3.46Å; S107-C110 WeakPolarHBondContact O-CB 3.46Å; S107-C110 PolarHBondContact O-N 3.36Å; S107-C110 VanDerWaalsContact OG-CB 3.27Å; S107-C110 WeakPolarHBondContact OG-CB 3.45Å; S107-C110 PolarHBondContact OG-N 3.42Å; S107-G111 PolarHBondContact O-N 3.34Å; S107-A112 VanDerWaalsContact O-CB 3.3Å; S107-A112 WeakPolarHBondContact O-CB 3.32Å; S107-A112 PolarHBondContact O-N 3.44Å
108	K	90.4	Very high	81.6	Confident	122 Å²	122	56.5 Å²	56.5	53%	0.53	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-56.7	-36.2	172.5	-173.7	177.5	-179.8	179.7	0	111.9	C110 G111 L128 N129	K108-C110 PolarHBondContact O-N 2.89Å; K108-G111 PolarHBondContact O-N 2.93Å; K108-L128 HydrophobicContact CB-CB 4.08Å; K108-L128 WeakPolarHBondContact CB-O 3.47Å; K108-L128 PolarHBondContact N-O 3.32Å; K108-N129 VanDerWaalsContact CD-OD1 3.3Å; K108-N129 WeakPolarHBondContact CD-OD1 3.45Å
109	D	87	Confident	84.2	Confident	123 Å²	123	58.5 Å²	58.5	66%	0.658	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-67.4	-20.7	176.6	-56.6	-51.4	0	0	0	113.4	S107	S107-D109 PolarHBondContact O-N 3.46Å
110	C	89.2	Confident	86.5	Confident	33 Å²	33	55.2 Å²	55.2	22%	0.223	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-83.5	-13.4	170.3	-166.9	0	0	0	0	112.8	R103 S107 K108 C175	R103-C110 PolarHBondContact NH2-SG 2.98Å; S107-C110 WeakPolarHBondContact O-CB 3.46Å; S107-C110 PolarHBondContact O-N 3.36Å; S107-C110 VanDerWaalsContact OG-CB 3.27Å; S107-C110 WeakPolarHBondContact OG-CB 3.45Å; S107-C110 PolarHBondContact OG-N 3.42Å; K108-C110 PolarHBondContact O-N 2.89Å; C110-C175 HydrophobicContact CB-CB 3.77Å; C110-C175 WeakPolarHBondContact CB-SG 3.44Å; C110-C175 WeakPolarHBondContact O-CB 3.45Å; C110-C175 WeakPolarHBondContact SG-CB 3.42Å; C110-C175 CovalentContact SG-SG 2.04Å; C110-C175 PolarHBondContact SG-SG 3.39Å
111	G	91.8	Very high	88.6	Confident	45 Å²	45	52.9 Å²	52.9	46%	0.464	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.4	8	-172.5	0	0	0	0	0	114.8	S107 K108	S107-G111 PolarHBondContact O-N 3.34Å; K108-G111 PolarHBondContact O-N 2.93Å
112	A	94.1	Very high	90.3	Very high	6 Å²	6	58.8 Å²	58.8	5%	0.05	32%	0.322	C	S	.	.			trans	-66.2	149.5	173.2	0	0	0	0	0	111.5	Y105 S107 E173	Y105-A112 WeakPolarHBondContact O-CB 3.43Å; S107-A112 VanDerWaalsContact O-CB 3.3Å; S107-A112 WeakPolarHBondContact O-CB 3.32Å; S107-A112 PolarHBondContact O-N 3.44Å; A112-E173 VanDerWaalsContact CA-O 3.27Å; A112-E173 WeakPolarHBondContact CA-O 3.5Å; A112-E173 WeakPolarHBondContact CB-O 3.38Å
113	R	94.1	Very high	91.4	Very high	145 Å²	145	60.5 Å²	60.5	55%	0.547	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	158	-179.3	69.1	-174.8	79.8	157.4	7.1	112.5	L128 I172 E173	R113-L128 VanDerWaalsContact C-CD1 3.5Å; R113-L128 VanDerWaalsContact CA-CD1 3.49Å; R113-I172 WeakPolarHBondContact O-CA 3.41Å; R113-E173 WeakPolarHBondContact CD-OE2 3.39Å; R113-E173 HydrophobicContact CG-CB 3.9Å; R113-E173 HydrophobicContact CG-CG 4.47Å; R113-E173 VanDerWaalsContact CG-OE2 3.29Å; R113-E173 WeakPolarHBondContact CG-OE2 3.42Å; R113-E173 IonicContact CZ-OE2 2.66Å; R113-E173 PolarHBondContact N-O 3.04Å; R113-E173 IonicContact NE-OE2 4Å; R113-E173 PolarHBondContact NE-OE2 2.99Å; R113-E173 IonicContact NH1-OE2 3.57Å; R113-E173 PolarHBondContact O-N 3.41Å
114	I	94.9	Very high	91.7	Very high	28 Å²	28	57.4 Å²	57.4	14%	0.144	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	128.6	164.3	-56.7	-58.4	0	0	0	107.7	P124 L127 L128 F170 I171 I172	I114-P124 HydrophobicContact CG1-CB 4.37Å; I114-P124 HydrophobicContact CG2-CB 4.21Å; I114-P124 HydrophobicContact CG2-CG 4.42Å; I114-L127 HydrophobicContact CD1-CD1 4.45Å; I114-L128 HydrophobicContact CD1-CD1 3.97Å; I114-L128 HydrophobicContact CD1-CD2 3.96Å; I114-L128 HydrophobicContact CD1-CG 4.05Å; I114-L128 HydrophobicContact CG1-CD1 3.98Å; I114-L128 HydrophobicContact CG1-CG 4.33Å; I114-F170 HydrophobicContact CD1-CD2 4.48Å; I114-I171 WeakPolarHBondContact CA-O 3.39Å; I114-I172 HydrophobicContact CD1-CG1 3.96Å
115	V	93.8	Very high	91.5	Very high	47 Å²	47	59.9 Å²	59.9	29%	0.285	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	-43.9	176.1	-176.1	0	0	0	0	110.5	I171 E173 Y206 Y238	V115-I171 HydrophobicContact CB-CB 4.37Å; V115-I171 HydrophobicContact CB-CG2 4.09Å; V115-I171 HydrophobicContact CG2-CG2 4.28Å; V115-I171 PolarHBondContact N-O 2.71Å; V115-E173 HydrophobicContact CG2-CB 3.54Å; V115-Y206 HydrophobicContact CG1-CD1 3.73Å; V115-Y206 HydrophobicContact CG1-CD2 4.42Å; V115-Y206 HydrophobicContact CG1-CE1 3.38Å; V115-Y206 HydrophobicContact CG1-CE2 4.13Å; V115-Y206 HydrophobicContact CG1-CG 4.24Å; V115-Y238 HydrophobicContact CG2-CD1 4.03Å; V115-Y238 HydrophobicContact CG2-CE1 4.11Å
116	M	93.6	Very high	91.2	Very high	90 Å²	90	60 Å²	60	44%	0.443	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	155	-175.3	-165.3	172	-79.7	0	0	110.5	W169 F170 I171 Y206	M116-W169 HydrophobicContact CB-CH2 4.41Å; M116-W169 HydrophobicContact CB-CZ3 4.11Å; M116-W169 HydrophobicContact CG-CH2 3.71Å; M116-W169 HydrophobicContact CG-CZ3 3.9Å; M116-W169 HydrophobicContact SD-CH2 3.79Å; M116-W169 HydrophobicContact SD-CZ3 4.34Å; M116-F170 CarbonylContact O-C 3.57Å; M116-F170 WeakPolarHBondContact O-CA 3.3Å; M116-I171 PolarHBondContact O-N 3.04Å; M116-Y206 VanDerWaalsContact CE-OH 3.27Å; M116-Y206 WeakPolarHBondContact CE-OH 3.41Å
117	A	93.5	Very high	90.8	Very high	24 Å²	24	60 Å²	60	20%	0.198	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	168	170.8	0	0	0	0	0	110.3	A121 P124 W169 F170	A117-A121 HydrophobicContact CB-CB 3.85Å; A117-P124 HydrophobicContact CB-CB 4.1Å; A117-P124 HydrophobicContact CB-CG 4.24Å; A117-W169 CarbonylContact C-O 3.58Å; A117-W169 WeakPolarHBondContact CA-O 3.23Å; A117-F170 HydrophobicContact CB-CB 3.94Å
118	N	93	Very high	90.5	Very high	8 Å²	8	59.5 Å²	59.5	4%	0.043	32%	0.322	C	S	.	.			trans	-61.9	149.5	171.9	72	-76.7	0	0	0	111	E120 A121 N160 W169	N118-E120 VanDerWaalsContact ND2-CD 3.3Å; N118-E120 PolarHBondContact ND2-OE1 3.39Å; N118-E120 PolarHBondContact ND2-OE2 2.99Å; N118-E120 PolarHBondContact O-N 3.47Å; N118-E120 VanDerWaalsContact O-N 3.08Å; N118-A121 VanDerWaalsContact O-CB 3.23Å; N118-A121 WeakPolarHBondContact O-CB 3.49Å; N118-A121 PolarHBondContact O-N 3.22Å; N118-N160 PolarHBondContact ND2-ND2 3.1Å; N118-N160 PolarHBondContact OD1-ND2 3.12Å; N118-W169 HydrophobicContact CB-CD2 4.44Å; N118-W169 HydrophobicContact CB-CG 4.38Å; N118-W169 PolarHBondContact N-O 2.89Å; N118-W169 PolarHBondContact OD1-N 3.35Å; N118-W169 VanDerWaalsContact OD1-N 3.11Å; N118-W169 PolarHBondContact OD1-O 2.89Å
119	A	91.8	Very high	89.5	Confident	107 Å²	107	56.5 Å²	56.5	88%	0.884	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.6	-166.6	0	0	0	0	0	114.9	A121	A119-A121 VanDerWaalsContact C-N 3.34Å
120	E	90.8	Very high	88	Confident	54 Å²	54	51.5 Å²	51.5	25%	0.252	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-12.4	175.9	-44.7	113.4	-103	0	0	114	N118 R122 P161 T164	N118-E120 VanDerWaalsContact ND2-CD 3.3Å; N118-E120 PolarHBondContact ND2-OE1 3.39Å; N118-E120 PolarHBondContact ND2-OE2 2.99Å; N118-E120 PolarHBondContact O-N 3.47Å; N118-E120 VanDerWaalsContact O-N 3.08Å; E120-R122 PolarHBondContact O-N 3.34Å; E120-P161 VanDerWaalsContact CB-CD 3.48Å; E120-P161 HydrophobicContact CB-CG 3.64Å; E120-P161 HydrophobicContact CG-CG 3.94Å; E120-T164 HydrophobicContact CG-CG2 4.31Å
121	A	91.2	Very high	86.3	Confident	17 Å²	17	56.1 Å²	56.1	14%	0.14	31%	0.306	C	S	.	.			trans	-72.9	113.8	-171.3	0	0	0	0	0	112.3	A117 N118 A119 M158 N160	A117-A121 HydrophobicContact CB-CB 3.85Å; N118-A121 VanDerWaalsContact O-CB 3.23Å; N118-A121 WeakPolarHBondContact O-CB 3.49Å; N118-A121 PolarHBondContact O-N 3.22Å; A119-A121 VanDerWaalsContact C-N 3.34Å; A121-M158 HydrophobicContact CB-SD 4.29Å; A121-N160 WeakPolarHBondContact CA-OD1 3.44Å; A121-N160 VanDerWaalsContact CB-OD1 3.25Å; A121-N160 WeakPolarHBondContact CB-OD1 3.25Å
122	R	89.8	Confident	84.5	Confident	175 Å²	175	56.2 Å²	56.2	66%	0.66	29%	0.292	S	S	*	.	B	Isolated β-bridge	trans	-93.8	139.1	176.3	-58.2	-178.7	-178.5	-164	-1.5	110.3	E120 M158 L159	E120-R122 PolarHBondContact O-N 3.34Å; R122-M158 WeakPolarHBondContact O-CA 3.48Å; R122-L159 HydrophobicContact CB-CB 4.02Å; R122-L159 PolarHBondContact N-O 2.68Å; R122-L159 PolarHBondContact O-N 3.31Å
123	K	89.5	Confident	82.2	Confident	117 Å²	117	64 Å²	64	51%	0.509	33%	0.325	S	S	.	.			trans	48.2	46.4	-178.9	-60.8	-169.4	176.9	-170.1	0	115.7	S125 A126 E156	K123-S125 PolarHBondContact O-N 3.09Å; K123-S125 VanDerWaalsContact O-N 3.11Å; K123-A126 VanDerWaalsContact O-CB 3.31Å; K123-A126 WeakPolarHBondContact O-CB 3.42Å; K123-A126 PolarHBondContact O-N 3.22Å; K123-E156 WeakPolarHBondContact CE-OE1 3.45Å; K123-E156 IonicContact NZ-OE1 3.86Å; K123-E156 PolarHBondContact NZ-OE1 3.34Å
124	P	89.9	Confident	79.8	Confident	26 Å²	26	60.3 Å²	60.3	17%	0.169	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-60	-28.2	-178.8	27.8	-36.5	0	0	0	113.6	I114 A117 A126 L127 M158	I114-P124 HydrophobicContact CG1-CB 4.37Å; I114-P124 HydrophobicContact CG2-CB 4.21Å; I114-P124 HydrophobicContact CG2-CG 4.42Å; A117-P124 HydrophobicContact CB-CB 4.1Å; A117-P124 HydrophobicContact CB-CG 4.24Å; P124-A126 PolarHBondContact O-N 3.05Å; P124-A126 VanDerWaalsContact O-N 3.1Å; P124-L127 VanDerWaalsContact O-CG 3.31Å; P124-L127 WeakPolarHBondContact O-CG 3.48Å; P124-L127 PolarHBondContact O-N 2.98Å; P124-M158 HydrophobicContact CB-CG 4.15Å; P124-M158 HydrophobicContact CB-SD 3.86Å
125	S	87.1	Confident	77.2	Confident	73 Å²	73	64.4 Å²	64.4	51%	0.51	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-60.4	-17	175.9	-49.1	0	0	0	0	114.9	K123 L127	K123-S125 PolarHBondContact O-N 3.09Å; K123-S125 VanDerWaalsContact O-N 3.11Å; S125-L127 VanDerWaalsContact C-N 3.27Å; S125-L127 PolarHBondContact O-N 3.36Å
126	A	85.1	Confident	74.6	Confident	4 Å²	4	66.5 Å²	66.5	3%	0.033	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-64.5	-30.4	178.1	0	0	0	0	0	112.9	K123 P124 L128 N129 E156	K123-A126 VanDerWaalsContact O-CB 3.31Å; K123-A126 WeakPolarHBondContact O-CB 3.42Å; K123-A126 PolarHBondContact O-N 3.22Å; P124-A126 PolarHBondContact O-N 3.05Å; P124-A126 VanDerWaalsContact O-N 3.1Å; A126-L128 PolarHBondContact O-N 3.15Å; A126-N129 WeakPolarHBondContact O-CB 3.27Å; A126-N129 PolarHBondContact O-N 3.48Å; A126-N129 VanDerWaalsContact O-N 3.12Å; A126-E156 HydrophobicContact CB-CB 4.01Å
127	L	85.8	Confident	72.3	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-54.4	-26.8	-178.4	-64.5	176	0	0	0	114.6	I114 P124 S125 M158 F170 L255 V258	I114-L127 HydrophobicContact CD1-CD1 4.45Å; P124-L127 VanDerWaalsContact O-CG 3.31Å; P124-L127 WeakPolarHBondContact O-CG 3.48Å; P124-L127 PolarHBondContact O-N 2.98Å; S125-L127 VanDerWaalsContact C-N 3.27Å; S125-L127 PolarHBondContact O-N 3.36Å; L127-M158 HydrophobicContact CD1-CB 4.33Å; L127-M158 HydrophobicContact CD1-CE 4.34Å; L127-M158 HydrophobicContact CD1-SD 3.86Å; L127-M158 HydrophobicContact CD2-CB 3.88Å; L127-M158 HydrophobicContact CG-CB 3.96Å; L127-F170 HydrophobicContact CD1-CD1 4.14Å; L127-F170 HydrophobicContact CD1-CD2 3.68Å; L127-F170 HydrophobicContact CD1-CE1 3.99Å; L127-F170 HydrophobicContact CD1-CE2 3.5Å; L127-F170 HydrophobicContact CD1-CG 3.99Å; L127-F170 HydrophobicContact CD1-CZ 3.66Å; L127-L255 HydrophobicContact CD2-CB 3.79Å; L127-L255 HydrophobicContact CD2-CD2 3.89Å; L127-L255 HydrophobicContact CD2-CG 3.81Å; L127-L255 WeakPolarHBondContact CD2-O 3.47Å; L127-V258 HydrophobicContact CD2-CG2 4.4Å; L127-V258 PolarHBondContact O-N 3.49Å
128	L	84.2	Confident	70.3	Confident	5 Å²	5	74.5 Å²	74.5	3%	0.026	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-94.8	-1.9	-171.5	-46.7	-178.8	0	0	0	112.9	A106 K108 R113 I114 A126 G130 I172	A106-L128 HydrophobicContact CB-CD2 4.46Å; A106-L128 VanDerWaalsContact O-CD2 3.25Å; A106-L128 WeakPolarHBondContact O-CD2 3.21Å; K108-L128 HydrophobicContact CB-CB 4.08Å; K108-L128 WeakPolarHBondContact CB-O 3.47Å; K108-L128 PolarHBondContact N-O 3.32Å; R113-L128 VanDerWaalsContact C-CD1 3.5Å; R113-L128 VanDerWaalsContact CA-CD1 3.49Å; I114-L128 HydrophobicContact CD1-CD1 3.97Å; I114-L128 HydrophobicContact CD1-CD2 3.96Å; I114-L128 HydrophobicContact CD1-CG 4.05Å; I114-L128 HydrophobicContact CG1-CD1 3.98Å; I114-L128 HydrophobicContact CG1-CG 4.33Å; A126-L128 PolarHBondContact O-N 3.15Å; L128-G130 PolarHBondContact O-N 2.86Å; L128-I172 HydrophobicContact CD2-CD1 4.07Å; L128-I172 HydrophobicContact CD2-CG1 4.34Å; L128-I172 HydrophobicContact CD2-CG2 3.98Å
129	N	68.5	Low	68.2	Low	59 Å²	59	78.7 Å²	78.7	32%	0.316	42%	0.421	S	S	.	.			trans	-75.2	53.7	-178.8	-70.5	-20.7	0	0	0	112.2	K108 A126 K131	K108-N129 VanDerWaalsContact CD-OD1 3.3Å; K108-N129 WeakPolarHBondContact CD-OD1 3.45Å; A126-N129 WeakPolarHBondContact O-CB 3.27Å; A126-N129 PolarHBondContact O-N 3.48Å; A126-N129 VanDerWaalsContact O-N 3.12Å; N129-K131 PolarHBondContact O-N 2.9Å
130	G	56.4	Low	66.5	Low	18 Å²	18	77.5 Å²	77.5	19%	0.186	41%	0.406	C	S	.	.			trans	-74.3	32	-169.3	0	0	0	0	0	117.5	L128 R132	L128-G130 PolarHBondContact O-N 2.86Å; G130-R132 PolarHBondContact O-N 3.36Å; G130-R132 VanDerWaalsContact O-N 3.16Å
131	K	53.3	Low	64.9	Low	130 Å²	130	78.2 Å²	78.2	57%	0.565	42%	0.421	S	S	*	.			trans	-59.9	-23.7	179.5	-71.1	-176.6	-171.3	166.9	0	114	N129 K133 D153	N129-K131 PolarHBondContact O-N 2.9Å; K131-K133 PolarHBondContact O-N 2.88Å; K131-D153 IonicContact NZ-OD2 2.68Å; K131-D153 PolarHBondContact NZ-OD2 3.32Å
132	R	54.4	Low	63.2	Low	48 Å²	48	85.6 Å²	85.6	18%	0.181	45%	0.446	C	S	.	.	S	Bend	trans	-63.8	97.7	179.7	-63.8	-164.9	-166.9	166.7	11.5	110.7	G130 A134 N154 R259	G130-R132 PolarHBondContact O-N 3.36Å; G130-R132 VanDerWaalsContact O-N 3.16Å; R132-A134 PolarHBondContact O-N 2.84Å; R132-N154 VanDerWaalsContact CZ-OD1 3.23Å; R132-N154 PolarHBondContact NE-OD1 2.89Å; R132-N154 VanDerWaalsContact NE-OD1 3.13Å; R132-N154 PolarHBondContact NH2-OD1 3.42Å; R132-R259 PolarHBondContact O-NH1 3.47Å
133	K	45.4	Very low	61.7	Low	169 Å²	169	80 Å²	80	74%	0.735	43%	0.431	S	S	*	.			trans	-46.7	123.8	172.6	-68.7	-179	180	178.1	0	109.8	K131 F135	K131-K133 PolarHBondContact O-N 2.88Å; K133-F135 VanDerWaalsContact C-N 3.26Å; K133-F135 HydrophobicContact CB-CD2 4.18Å; K133-F135 HydrophobicContact CB-CE2 4.45Å; K133-F135 HydrophobicContact CD-CE2 4.04Å; K133-F135 PolarHBondContact O-N 3.46Å
134	A	43.1	Very low	60.2	Low	67 Å²	67	77.9 Å²	77.9	55%	0.554	43%	0.425	S	S	*	.			trans	-69.2	87.4	165.6	0	0	0	0	0	108.6	R132 S136	R132-A134 PolarHBondContact O-N 2.84Å; A134-S136 PolarHBondContact O-N 2.86Å
135	F	41.5	Very low	58.6	Low	114 Å²	114	82.3 Å²	82.3	50%	0.5	44%	0.442	S	S	.	.			trans	-70.6	87.8	172.3	-104.3	-69.9	0	0	0	109.2	K133 H137 F139	K133-F135 VanDerWaalsContact C-N 3.26Å; K133-F135 HydrophobicContact CB-CD2 4.18Å; K133-F135 HydrophobicContact CB-CE2 4.45Å; K133-F135 HydrophobicContact CD-CE2 4.04Å; K133-F135 PolarHBondContact O-N 3.46Å; F135-H137 PolarHBondContact O-N 2.85Å; F135-F139 HydrophobicContact CB-CD2 4.14Å; F135-F139 AromaticContact CD1-CD2 3.73Å; F135-F139 HydrophobicContact CD1-CD2 3.73Å; F135-F139 AromaticContact CD1-CE2 3.44Å; F135-F139 HydrophobicContact CD1-CE2 3.44Å; F135-F139 VanDerWaalsContact CD1-CE2 3.44Å; F135-F139 HydrophobicContact CE1-CD2 4.37Å; F135-F139 AromaticContact CE1-CE2 3.63Å; F135-F139 HydrophobicContact CE1-CE2 3.63Å; F135-F139 HydrophobicContact CE1-CZ 4.4Å; F135-F139 HydrophobicContact CG-CD2 4.02Å; F135-F139 HydrophobicContact CG-CE2 4.06Å; F135-F139 HydrophobicContact CZ-CE2 4.37Å
136	S	37.9	Very low	57.2	Low	91 Å²	91	81.5 Å²	81.5	64%	0.636	43%	0.434	S	S	*	.			trans	-59.9	117.4	-173.8	-163	0	0	0	0	111.1	A134 S138	A134-S136 PolarHBondContact O-N 2.86Å; S136-S138 VanDerWaalsContact C-N 3.3Å; S136-S138 PolarHBondContact O-N 2.81Å
137	H	46.6	Very low	55.7	Low	177 Å²	177	85.7 Å²	85.7	82%	0.819	46%	0.455	S	S	*	.	S	Bend	trans	60	11.4	154.6	-70.9	-115.6	0	0	0	119.3	F135	F135-H137 PolarHBondContact O-N 2.85Å
138	S	50.4	Low	54.2	Low	105 Å²	105	87.8 Å²	87.8	73%	0.734	47%	0.466	S	S	*	.			trans	-139.1	22.4	-176.2	-135.9	0	0	0	0	117.6	S136	S136-S138 VanDerWaalsContact C-N 3.3Å; S136-S138 PolarHBondContact O-N 2.81Å
139	F	50	Low	52.7	Low	97 Å²	97	91.8 Å²	91.8	43%	0.425	49%	0.49	S	S	.	.	S	Bend	trans	-123.2	141.2	172.5	-82.7	-89	0	0	0	112.5	F135 V143 I144	F135-F139 HydrophobicContact CB-CD2 4.14Å; F135-F139 AromaticContact CD1-CD2 3.73Å; F135-F139 HydrophobicContact CD1-CD2 3.73Å; F135-F139 AromaticContact CD1-CE2 3.44Å; F135-F139 HydrophobicContact CD1-CE2 3.44Å; F135-F139 VanDerWaalsContact CD1-CE2 3.44Å; F135-F139 HydrophobicContact CE1-CD2 4.37Å; F135-F139 AromaticContact CE1-CE2 3.63Å; F135-F139 HydrophobicContact CE1-CE2 3.63Å; F135-F139 HydrophobicContact CE1-CZ 4.4Å; F135-F139 HydrophobicContact CG-CD2 4.02Å; F135-F139 HydrophobicContact CG-CE2 4.06Å; F135-F139 HydrophobicContact CZ-CE2 4.37Å; F139-V143 HydrophobicContact CD1-CB 4.17Å; F139-V143 HydrophobicContact CD1-CG1 3.78Å; F139-V143 HydrophobicContact CE1-CG1 4.34Å; F139-I144 HydrophobicContact CB-CD1 4.37Å; F139-I144 HydrophobicContact CB-CG1 3.99Å; F139-I144 WeakPolarHBondContact O-CD1 3.38Å
140	S	55.3	Low	51.7	Low	81 Å²	81	93.9 Å²	93.9	57%	0.566	51%	0.505	S	S	*	.			trans	-61.4	141.8	174.5	174.1	0	0	0	0	111	Y142 V143 I144	S140-Y142 PolarHBondContact O-N 3.28Å; S140-V143 WeakPolarHBondContact O-CA 3.45Å; S140-V143 PolarHBondContact O-N 2.93Å; S140-I144 PolarHBondContact O-N 3.1Å
141	A	57.7	Low	51.4	Low	69 Å²	69	96.5 Å²	96.5	57%	0.57	52%	0.515	S	S	*	.	H	α-helix	trans	-53.6	-29.1	-178.9	0	0	0	0	0	113.5	F145	A141-F145 WeakPolarHBondContact O-CB 3.3Å; A141-F145 PolarHBondContact O-N 2.85Å
142	Y	54.9	Low	51.1	Low	173 Å²	173	99.7 Å²	99.7	68%	0.678	53%	0.529	S	S	*	.	H	α-helix	trans	-67.8	-39.5	174	-174.2	-100.1	0	0	0	112.8	S140 F145 V146	S140-Y142 PolarHBondContact O-N 3.28Å; Y142-F145 PolarHBondContact O-N 3.39Å; Y142-V146 HydrophobicContact CD1-CG2 4.28Å; Y142-V146 HydrophobicContact CE1-CG2 3.89Å; Y142-V146 WeakPolarHBondContact O-CG2 3.16Å; Y142-V146 PolarHBondContact O-N 2.98Å
143	V	57.8	Low	51.1	Low	57 Å²	57	102.1 Å²	102.1	35%	0.345	55%	0.545	S	S	.	.	H	α-helix	trans	-71.2	-39.5	176.5	-173.4	0	0	0	0	110.4	F139 S140 F145 V146 L147	F139-V143 HydrophobicContact CD1-CB 4.17Å; F139-V143 HydrophobicContact CD1-CG1 3.78Å; F139-V143 HydrophobicContact CE1-CG1 4.34Å; S140-V143 WeakPolarHBondContact O-CA 3.45Å; S140-V143 PolarHBondContact O-N 2.93Å; V143-F145 VanDerWaalsContact C-N 3.33Å; V143-F145 PolarHBondContact O-N 3.14Å; V143-V146 PolarHBondContact O-N 2.7Å; V143-L147 HydrophobicContact CG1-CD1 4.07Å; V143-L147 HydrophobicContact CG1-CG 4.37Å; V143-L147 WeakPolarHBondContact O-CB 3.36Å; V143-L147 VanDerWaalsContact O-CG 3.3Å; V143-L147 WeakPolarHBondContact O-CG 3.15Å; V143-L147 PolarHBondContact O-N 3.16Å
144	I	59.1	Low	51.5	Low	72 Å²	72	95.6 Å²	95.6	37%	0.369	52%	0.518	S	S	.	.	H	α-helix	trans	-59.5	-44.8	172.8	-62.5	174.4	0	0	0	110.4	F139 S140 L147 I148	F139-I144 HydrophobicContact CB-CD1 4.37Å; F139-I144 HydrophobicContact CB-CG1 3.99Å; F139-I144 WeakPolarHBondContact O-CD1 3.38Å; S140-I144 PolarHBondContact O-N 3.1Å; I144-L147 PolarHBondContact O-N 3.02Å; I144-I148 HydrophobicContact CG2-CD1 3.82Å; I144-I148 WeakPolarHBondContact O-CB 3.29Å; I144-I148 VanDerWaalsContact O-CG1 3.26Å; I144-I148 WeakPolarHBondContact O-CG1 3.38Å; I144-I148 PolarHBondContact O-N 3.18Å
145	F	56.7	Low	52.3	Low	119 Å²	119	99.2 Å²	99.2	52%	0.522	53%	0.528	S	S	.	.	H	α-helix	trans	-62.8	-45.8	176.1	-176.6	-98.9	0	0	0	112.6	A141 Y142 V143 L147 I148 V149	A141-F145 WeakPolarHBondContact O-CB 3.3Å; A141-F145 PolarHBondContact O-N 2.85Å; Y142-F145 PolarHBondContact O-N 3.39Å; V143-F145 VanDerWaalsContact C-N 3.33Å; V143-F145 PolarHBondContact O-N 3.14Å; F145-L147 PolarHBondContact O-N 3.37Å; F145-I148 PolarHBondContact O-N 3.07Å; F145-V149 HydrophobicContact CD1-CG2 4.25Å; F145-V149 HydrophobicContact CE1-CG2 3.87Å; F145-V149 HydrophobicContact CE2-CG2 4.2Å; F145-V149 HydrophobicContact CZ-CG2 3.84Å; F145-V149 WeakPolarHBondContact O-CG2 3.27Å; F145-V149 PolarHBondContact O-N 2.78Å
146	V	57.2	Low	53.9	Low	57 Å²	57	97.9 Å²	97.9	35%	0.345	52%	0.524	S	S	.	.	H	α-helix	trans	-62.3	-42.7	177.2	170.3	0	0	0	0	111.4	Y142 V143 I148 V149 V150	Y142-V146 HydrophobicContact CD1-CG2 4.28Å; Y142-V146 HydrophobicContact CE1-CG2 3.89Å; Y142-V146 WeakPolarHBondContact O-CG2 3.16Å; Y142-V146 PolarHBondContact O-N 2.98Å; V143-V146 PolarHBondContact O-N 2.7Å; V146-I148 VanDerWaalsContact C-N 3.33Å; V146-I148 PolarHBondContact O-N 2.91Å; V146-V149 PolarHBondContact O-N 3.33Å; V146-V149 VanDerWaalsContact O-N 3.17Å; V146-V150 HydrophobicContact CG1-CG2 4.08Å; V146-V150 WeakPolarHBondContact O-CB 3.25Å; V146-V150 WeakPolarHBondContact O-CG2 3.33Å; V146-V150 PolarHBondContact O-N 3.24Å
147	L	54.1	Low	56.2	Low	92 Å²	92	96 Å²	96	48%	0.482	50%	0.503	S	S	.	.	H	α-helix	trans	-63.8	-37.5	174.6	-70.5	171	0	0	0	112.2	V143 I144 F145 V149	V143-L147 HydrophobicContact CG1-CD1 4.07Å; V143-L147 HydrophobicContact CG1-CG 4.37Å; V143-L147 WeakPolarHBondContact O-CB 3.36Å; V143-L147 VanDerWaalsContact O-CG 3.3Å; V143-L147 WeakPolarHBondContact O-CG 3.15Å; V143-L147 PolarHBondContact O-N 3.16Å; I144-L147 PolarHBondContact O-N 3.02Å; F145-L147 PolarHBondContact O-N 3.37Å; L147-V149 VanDerWaalsContact C-N 3.29Å; L147-V149 PolarHBondContact O-N 2.91Å
148	I	54.6	Low	58.3	Low	43 Å²	43	87.6 Å²	87.6	22%	0.221	46%	0.464	C	S	.	.	H	α-helix	trans	-66.6	-28.4	174.2	-74.7	171.2	0	0	0	112.2	I144 F145 V146 N154 F188	I144-I148 HydrophobicContact CG2-CD1 3.82Å; I144-I148 WeakPolarHBondContact O-CB 3.29Å; I144-I148 VanDerWaalsContact O-CG1 3.26Å; I144-I148 WeakPolarHBondContact O-CG1 3.38Å; I144-I148 PolarHBondContact O-N 3.18Å; F145-I148 PolarHBondContact O-N 3.07Å; V146-I148 VanDerWaalsContact C-N 3.33Å; V146-I148 PolarHBondContact O-N 2.91Å; I148-N154 PolarHBondContact O-ND2 2.81Å; I148-F188 HydrophobicContact CD1-CE1 4.49Å
149	V	51.4	Low	60.2	Low	90 Å²	90	85 Å²	85	55%	0.545	44%	0.441	S	S	.	.	H	α-helix	trans	-90.6	-22.1	-178.4	170.6	0	0	0	0	113.5	F145 V146 L147	F145-V149 HydrophobicContact CD1-CG2 4.25Å; F145-V149 HydrophobicContact CE1-CG2 3.87Å; F145-V149 HydrophobicContact CE2-CG2 4.2Å; F145-V149 HydrophobicContact CZ-CG2 3.84Å; F145-V149 WeakPolarHBondContact O-CG2 3.27Å; F145-V149 PolarHBondContact O-N 2.78Å; V146-V149 PolarHBondContact O-N 3.33Å; V146-V149 VanDerWaalsContact O-N 3.17Å; L147-V149 VanDerWaalsContact C-N 3.29Å; L147-V149 PolarHBondContact O-N 2.91Å
150	V	47.5	Very low	62.3	Low	102 Å²	102	80.3 Å²	80.3	62%	0.618	42%	0.421	S	S	*	.	H	α-helix	trans	-89.3	-21.1	-171.2	167.1	0	0	0	0	114.7	V146 K152	V146-V150 HydrophobicContact CG1-CG2 4.08Å; V146-V150 WeakPolarHBondContact O-CB 3.25Å; V146-V150 WeakPolarHBondContact O-CG2 3.33Å; V146-V150 PolarHBondContact O-N 3.24Å; V150-K152 PolarHBondContact O-N 3.49Å
151	D	51.4	Low	64.1	Low	74 Å²	74	77.8 Å²	77.8	40%	0.396	40%	0.403	S	S	.	.			trans	-64.8	127.4	174.4	-105.2	-30.4	0	0	0	110.8	D153 N154	D151-D153 VanDerWaalsContact C-N 3.31Å; D151-N154 VanDerWaalsContact CB-ND2 3.35Å; D151-N154 WeakPolarHBondContact CB-ND2 3.45Å; D151-N154 WeakPolarHBondContact O-CB 3.5Å; D151-N154 PolarHBondContact O-ND2 3.27Å
152	K	46.6	Very low	65.7	Low	197 Å²	197	74.7 Å²	74.7	86%	0.857	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-7.5	179.3	-67.6	-172	176.7	-174.6	0	113.8	V150 N154	V150-K152 PolarHBondContact O-N 3.49Å; K152-N154 PolarHBondContact O-N 3.02Å
153	D	53.2	Low	67.2	Low	99 Å²	99	72.9 Å²	72.9	53%	0.529	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	7.4	174.9	-65.8	4.3	0	0	0	112.2	K131 D151	K131-D153 IonicContact NZ-OD2 2.68Å; K131-D153 PolarHBondContact NZ-OD2 3.32Å; D151-D153 VanDerWaalsContact C-N 3.31Å
154	N	54.1	Low	68.3	Low	31 Å²	31	72.7 Å²	72.7	17%	0.166	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-20	-164.5	-86.2	-29.5	0	0	0	116.6	R132 I148 D151 K152 E156	R132-N154 VanDerWaalsContact CZ-OD1 3.23Å; R132-N154 PolarHBondContact NE-OD1 2.89Å; R132-N154 VanDerWaalsContact NE-OD1 3.13Å; R132-N154 PolarHBondContact NH2-OD1 3.42Å; I148-N154 PolarHBondContact O-ND2 2.81Å; D151-N154 VanDerWaalsContact CB-ND2 3.35Å; D151-N154 WeakPolarHBondContact CB-ND2 3.45Å; D151-N154 WeakPolarHBondContact O-CB 3.5Å; D151-N154 PolarHBondContact O-ND2 3.27Å; K152-N154 PolarHBondContact O-N 3.02Å; N154-E156 PolarHBondContact O-N 2.7Å
155	D	61.3	Low	69.2	Low	144 Å²	144	77.8 Å²	77.8	77%	0.77	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	7.9	-172.7	-57.8	-22.5	0	0	0	113
156	E	75.2	Confident	70.4	Confident	86 Å²	86	73.2 Å²	73.2	40%	0.402	39%	0.386	S	S	.	.			trans	-100	110.3	172.2	-64.9	-135.4	120.8	0	0	111.6	K123 A126 N154	K123-E156 WeakPolarHBondContact CE-OE1 3.45Å; K123-E156 IonicContact NZ-OE1 3.86Å; K123-E156 PolarHBondContact NZ-OE1 3.34Å; A126-E156 HydrophobicContact CB-CB 4.01Å; N154-E156 PolarHBondContact O-N 2.7Å
157	Y	85.4	Confident	71.9	Confident	51 Å²	51	74.6 Å²	74.6	20%	0.2	40%	0.396	C	S	.	.			trans	-136.5	158.3	170.5	44.2	-105	0	0	0	110.4	L159 E189 P254 L255	Y157-L159 HydrophobicContact CD2-CD1 4.46Å; Y157-L159 HydrophobicContact CD2-CD2 4.37Å; Y157-L159 HydrophobicContact CD2-CG 3.89Å; Y157-L159 HydrophobicContact CE2-CD1 4.05Å; Y157-L159 HydrophobicContact CE2-CD2 3.89Å; Y157-L159 HydrophobicContact CE2-CG 3.74Å; Y157-E189 HydrophobicContact CE1-CB 4.14Å; Y157-E189 HydrophobicContact CE1-CG 4.42Å; Y157-E189 WeakPolarHBondContact CE1-OE2 3.49Å; Y157-E189 PolarHBondContact OH-OE2 2.86Å; Y157-P254 HydrophobicContact CD2-CB 3.57Å; Y157-P254 HydrophobicContact CE2-CB 3.9Å; Y157-P254 HydrophobicContact CG-CB 4.36Å; Y157-L255 WeakPolarHBondContact CB-O 3.46Å
158	M	91.2	Very high	73.7	Confident	1 Å²	1	71.1 Å²	71.1	1%	0.005	38%	0.377	C	S	.	.	B	Isolated β-bridge	trans	-69.1	136.7	171.5	-175.8	-179.1	75.4	0	0	109	A121 R122 P124 L127 F170 P254 L255	A121-M158 HydrophobicContact CB-SD 4.29Å; R122-M158 WeakPolarHBondContact O-CA 3.48Å; P124-M158 HydrophobicContact CB-CG 4.15Å; P124-M158 HydrophobicContact CB-SD 3.86Å; L127-M158 HydrophobicContact CD1-CB 4.33Å; L127-M158 HydrophobicContact CD1-CE 4.34Å; L127-M158 HydrophobicContact CD1-SD 3.86Å; L127-M158 HydrophobicContact CD2-CB 3.88Å; L127-M158 HydrophobicContact CG-CB 3.96Å; M158-F170 HydrophobicContact CE-CD1 3.6Å; M158-F170 HydrophobicContact CE-CE1 3.7Å; M158-F170 HydrophobicContact SD-CD1 3.88Å; M158-F170 HydrophobicContact SD-CE1 4.42Å; M158-F170 HydrophobicContact SD-CG 4.35Å; M158-P254 CarbonylContact O-C 3.51Å; M158-P254 WeakPolarHBondContact O-CA 3.16Å; M158-P254 VanDerWaalsContact O-CB 3.3Å; M158-P254 WeakPolarHBondContact O-CB 3.47Å; M158-L255 HydrophobicContact CE-CB 4.17Å; M158-L255 PolarHBondContact N-O 3.36Å; M158-L255 PolarHBondContact O-N 2.89Å
159	L	90.7	Very high	75.6	Confident	49 Å²	49	71.5 Å²	71.5	26%	0.257	38%	0.376	S	S	.	.	B	Isolated β-bridge	trans	-119.7	111.7	-177.9	-94.7	166.6	0	0	0	110.6	R122 Y157 F252 P254	R122-L159 HydrophobicContact CB-CB 4.02Å; R122-L159 PolarHBondContact N-O 2.68Å; R122-L159 PolarHBondContact O-N 3.31Å; Y157-L159 HydrophobicContact CD2-CD1 4.46Å; Y157-L159 HydrophobicContact CD2-CD2 4.37Å; Y157-L159 HydrophobicContact CD2-CG 3.89Å; Y157-L159 HydrophobicContact CE2-CD1 4.05Å; Y157-L159 HydrophobicContact CE2-CD2 3.89Å; Y157-L159 HydrophobicContact CE2-CG 3.74Å; L159-F252 HydrophobicContact CD2-CB 3.72Å; L159-F252 HydrophobicContact CD2-CD1 3.82Å; L159-F252 HydrophobicContact CD2-CD2 4.38Å; L159-F252 HydrophobicContact CD2-CG 3.72Å; L159-P254 HydrophobicContact CD2-CB 4.27Å
160	N	92.7	Very high	77.7	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.35	C	S	.	.			trans	-114.7	142	170	-74.9	41.9	0	0	0	109.9	N118 A121 K168 F252 C253	N118-N160 PolarHBondContact ND2-ND2 3.1Å; N118-N160 PolarHBondContact OD1-ND2 3.12Å; A121-N160 WeakPolarHBondContact CA-OD1 3.44Å; A121-N160 VanDerWaalsContact CB-OD1 3.25Å; A121-N160 WeakPolarHBondContact CB-OD1 3.25Å; N160-K168 HydrophobicContact CB-CD 4.3Å; N160-K168 HydrophobicContact CB-CG 4.27Å; N160-F252 WeakPolarHBondContact O-CA 3.29Å; N160-C253 PolarHBondContact O-N 3.39Å
161	P	93.1	Very high	80	Confident	28 Å²	28	62.8 Å²	62.8	18%	0.182	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-66.7	140.4	166.5	30.3	-33.8	0	0	0	110.3	E120 T164 H251	E120-P161 VanDerWaalsContact CB-CD 3.48Å; E120-P161 HydrophobicContact CB-CG 3.64Å; E120-P161 HydrophobicContact CG-CG 3.94Å; P161-T164 WeakPolarHBondContact CG-OG1 3.46Å; P161-H251 WeakPolarHBondContact CA-O 3.43Å
162	C	91.8	Very high	82.2	Confident	4 Å²	4	59.2 Å²	59.2	3%	0.027	30%	0.304	C	S	.	.	S	Bend	trans	-74.5	-47.4	176.6	-64.7	0	0	0	0	112	T164 K168 S193 E250 H251 F252 C253	C162-T164 PolarHBondContact O-N 3.14Å; C162-T164 VanDerWaalsContact O-N 3.14Å; C162-K168 PolarHBondContact O-NZ 3.14Å; C162-S193 WeakPolarHBondContact SG-CB 3.48Å; C162-E250 PolarHBondContact SG-O 3.19Å; C162-H251 PolarHBondContact N-O 3.09Å; C162-F252 PolarHBondContact SG-O 2.91Å; C162-C253 VanDerWaalsContact CA-SG 3.54Å; C162-C253 HydrophobicContact CB-CB 4.25Å; C162-C253 WeakPolarHBondContact CB-SG 3.3Å; C162-C253 WeakPolarHBondContact SG-CA 3.27Å; C162-C253 WeakPolarHBondContact SG-CB 3.27Å; C162-C253 PolarHBondContact SG-N 2.89Å; C162-C253 CovalentContact SG-SG 2.04Å; C162-C253 PolarHBondContact SG-SG 3.15Å
163	K	86	Confident	84.6	Confident	135 Å²	135	51.1 Å²	51.1	59%	0.587	27%	0.269	S	S	*	.	S	Bend	trans	-88.3	70.4	-170.8	-61.6	172.9	-172	163.6	0	110.8	S249	K163-S249 WeakPolarHBondContact CE-O 3.39Å; K163-S249 PolarHBondContact NZ-O 2.83Å
164	T	82.1	Confident	86.6	Confident	53 Å²	53	46.5 Å²	46.5	33%	0.325	24%	0.244	S	C	.	.			trans	-145.5	139.9	175.8	-49.6	0	0	0	0	108.8	E120 P161 C162 G166 K168	E120-T164 HydrophobicContact CG-CG2 4.31Å; P161-T164 WeakPolarHBondContact CG-OG1 3.46Å; C162-T164 PolarHBondContact O-N 3.14Å; C162-T164 VanDerWaalsContact O-N 3.14Å; T164-G166 PolarHBondContact O-N 3.07Å; T164-K168 PolarHBondContact O-NZ 3.35Å
165	D	77.2	Confident	88.5	Confident	178 Å²	178	46.6 Å²	46.6	95%	0.952	25%	0.247	S	C	*	.	S	Bend	trans	-70.5	-13.4	-172.9	-45.5	-60.8	0	0	0	113
166	G	82.1	Confident	90.1	Very high	24 Å²	24	42.4 Å²	42.4	25%	0.247	22%	0.223	C	C	.	.	S	Bend	trans	-76.2	144.4	176.8	0	0	0	0	0	113.5	T164 K168	T164-G166 PolarHBondContact O-N 3.07Å; G166-K168 PolarHBondContact O-N 3.18Å
167	P	87.7	Confident	91	Very high	85 Å²	85	40.2 Å²	40.2	55%	0.552	22%	0.215	S	C	*	.			trans	-66	134.2	170.5	28.5	-33.7	0	0	0	110.2
168	K	93.5	Very high	91.3	Very high	20 Å²	20	37.8 Å²	37.8	9%	0.087	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	114	178.4	-74.1	163.3	-94.3	-65.6	0	109	N160 C162 T164 G166 E242 L243	N160-K168 HydrophobicContact CB-CD 4.3Å; N160-K168 HydrophobicContact CB-CG 4.27Å; C162-K168 PolarHBondContact O-NZ 3.14Å; T164-K168 PolarHBondContact O-NZ 3.35Å; G166-K168 PolarHBondContact O-N 3.18Å; K168-E242 WeakPolarHBondContact O-CA 3.31Å; K168-L243 HydrophobicContact CB-CB 4.11Å; K168-L243 PolarHBondContact O-N 2.81Å
169	W	94.6	Very high	91.4	Very high	51 Å²	51	39.5 Å²	39.5	19%	0.193	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	156.3	-173.9	62.2	-95.1	0	0	0	113.7	M116 A117 N118 I171 V241 E242	M116-W169 HydrophobicContact CB-CH2 4.41Å; M116-W169 HydrophobicContact CB-CZ3 4.11Å; M116-W169 HydrophobicContact CG-CH2 3.71Å; M116-W169 HydrophobicContact CG-CZ3 3.9Å; M116-W169 HydrophobicContact SD-CH2 3.79Å; M116-W169 HydrophobicContact SD-CZ3 4.34Å; A117-W169 CarbonylContact C-O 3.58Å; A117-W169 WeakPolarHBondContact CA-O 3.23Å; N118-W169 HydrophobicContact CB-CD2 4.44Å; N118-W169 HydrophobicContact CB-CG 4.38Å; N118-W169 PolarHBondContact N-O 2.89Å; N118-W169 PolarHBondContact OD1-N 3.35Å; N118-W169 VanDerWaalsContact OD1-N 3.11Å; N118-W169 PolarHBondContact OD1-O 2.89Å; W169-I171 HydrophobicContact CE3-CD1 4.39Å; W169-I171 HydrophobicContact CE3-CG1 4.12Å; W169-I171 HydrophobicContact CZ3-CD1 3.88Å; W169-I171 HydrophobicContact CZ3-CG1 3.98Å; W169-V241 WeakPolarHBondContact CA-O 3.27Å; W169-V241 WeakPolarHBondContact CB-O 3.38Å; W169-E242 HydrophobicContact CB-CB 4.26Å; W169-E242 HydrophobicContact CB-CG 3.84Å
170	F	95.4	Very high	91.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	153.7	173.9	55	-87.7	0	0	0	111.5	I114 M116 A117 L127 M158 I172 K240 V241 L255 V258	I114-F170 HydrophobicContact CD1-CD2 4.48Å; M116-F170 CarbonylContact O-C 3.57Å; M116-F170 WeakPolarHBondContact O-CA 3.3Å; A117-F170 HydrophobicContact CB-CB 3.94Å; L127-F170 HydrophobicContact CD1-CD1 4.14Å; L127-F170 HydrophobicContact CD1-CD2 3.68Å; L127-F170 HydrophobicContact CD1-CE1 3.99Å; L127-F170 HydrophobicContact CD1-CE2 3.5Å; L127-F170 HydrophobicContact CD1-CG 3.99Å; L127-F170 HydrophobicContact CD1-CZ 3.66Å; M158-F170 HydrophobicContact CE-CD1 3.6Å; M158-F170 HydrophobicContact CE-CE1 3.7Å; M158-F170 HydrophobicContact SD-CD1 3.88Å; M158-F170 HydrophobicContact SD-CE1 4.42Å; M158-F170 HydrophobicContact SD-CG 4.35Å; F170-I172 HydrophobicContact CD2-CD1 4.5Å; F170-I172 HydrophobicContact CD2-CG1 4.1Å; F170-I172 HydrophobicContact CE2-CD1 4.15Å; F170-I172 HydrophobicContact CE2-CG1 4.25Å; F170-K240 WeakPolarHBondContact O-CA 3.46Å; F170-V241 HydrophobicContact CD1-CB 4.41Å; F170-V241 HydrophobicContact CD2-CB 4.21Å; F170-V241 HydrophobicContact CD2-CG2 4.24Å; F170-V241 HydrophobicContact CE1-CB 3.86Å; F170-V241 HydrophobicContact CE1-CG1 4.04Å; F170-V241 HydrophobicContact CE2-CB 3.62Å; F170-V241 HydrophobicContact CE2-CG1 4.37Å; F170-V241 HydrophobicContact CE2-CG2 3.45Å; F170-V241 VanDerWaalsContact CE2-CG2 3.45Å; F170-V241 HydrophobicContact CZ-CB 3.43Å; F170-V241 VanDerWaalsContact CZ-CB 3.43Å; F170-V241 HydrophobicContact CZ-CG1 3.71Å; F170-V241 HydrophobicContact CZ-CG2 3.65Å; F170-V241 PolarHBondContact N-O 3.23Å; F170-V241 PolarHBondContact O-N 2.81Å; F170-L255 HydrophobicContact CE1-CD2 3.73Å; F170-L255 HydrophobicContact CZ-CD2 3.57Å; F170-V258 HydrophobicContact CE2-CG2 4.03Å; F170-V258 HydrophobicContact CZ-CG2 3.89Å
171	I	96	Very high	91.5	Very high	8 Å²	8	39.5 Å²	39.5	4%	0.041	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	120.9	-179	-59.9	175.5	0	0	0	109	I114 V115 M116 W169 Y206 W211 V239 K240	I114-I171 WeakPolarHBondContact CA-O 3.39Å; V115-I171 HydrophobicContact CB-CB 4.37Å; V115-I171 HydrophobicContact CB-CG2 4.09Å; V115-I171 HydrophobicContact CG2-CG2 4.28Å; V115-I171 PolarHBondContact N-O 2.71Å; M116-I171 PolarHBondContact O-N 3.04Å; W169-I171 HydrophobicContact CE3-CD1 4.39Å; W169-I171 HydrophobicContact CE3-CG1 4.12Å; W169-I171 HydrophobicContact CZ3-CD1 3.88Å; W169-I171 HydrophobicContact CZ3-CG1 3.98Å; I171-Y206 HydrophobicContact CD1-CE2 3.85Å; I171-W211 HydrophobicContact CD1-CH2 4.07Å; I171-W211 HydrophobicContact CD1-CZ2 4.28Å; I171-W211 HydrophobicContact CG1-CH2 4.46Å; I171-W211 HydrophobicContact CG2-CH2 4.15Å; I171-V239 WeakPolarHBondContact CA-O 3.44Å; I171-K240 HydrophobicContact CD1-CD 4.4Å; I171-K240 HydrophobicContact CD1-CG 4.47Å; I171-K240 HydrophobicContact CG1-CB 3.99Å; I171-K240 HydrophobicContact CG1-CD 4.24Å; I171-K240 HydrophobicContact CG1-CG 3.78Å
172	I	96.2	Very high	91.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	131.8	173.2	-48.3	178.8	0	0	0	108.7	A106 R113 I114 L128 F170 L174 Y238 V239 V258	A106-I172 HydrophobicContact CB-CD1 4.23Å; A106-I172 HydrophobicContact CB-CG2 4.17Å; R113-I172 WeakPolarHBondContact O-CA 3.41Å; I114-I172 HydrophobicContact CD1-CG1 3.96Å; L128-I172 HydrophobicContact CD2-CD1 4.07Å; L128-I172 HydrophobicContact CD2-CG1 4.34Å; L128-I172 HydrophobicContact CD2-CG2 3.98Å; F170-I172 HydrophobicContact CD2-CD1 4.5Å; F170-I172 HydrophobicContact CD2-CG1 4.1Å; F170-I172 HydrophobicContact CE2-CD1 4.15Å; F170-I172 HydrophobicContact CE2-CG1 4.25Å; I172-L174 HydrophobicContact CG2-CD2 4.27Å; I172-Y238 CarbonylContact O-C 3.54Å; I172-Y238 VanDerWaalsContact O-CA 3.31Å; I172-Y238 WeakPolarHBondContact O-CA 3.38Å; I172-V239 PolarHBondContact N-O 3.39Å; I172-V239 PolarHBondContact O-N 3.24Å; I172-V258 HydrophobicContact CD1-CB 4.25Å; I172-V258 HydrophobicContact CD1-CG1 3.8Å
173	E	96.9	Very high	91.5	Very high	27 Å²	27	38.3 Å²	38.3	13%	0.126	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	117.5	157.5	173.9	-177.7	-167.2	0	0	107.8	A112 R113 V115 K237 Y238	A112-E173 VanDerWaalsContact CA-O 3.27Å; A112-E173 WeakPolarHBondContact CA-O 3.5Å; A112-E173 WeakPolarHBondContact CB-O 3.38Å; R113-E173 WeakPolarHBondContact CD-OE2 3.39Å; R113-E173 HydrophobicContact CG-CB 3.9Å; R113-E173 HydrophobicContact CG-CG 4.47Å; R113-E173 VanDerWaalsContact CG-OE2 3.29Å; R113-E173 WeakPolarHBondContact CG-OE2 3.42Å; R113-E173 IonicContact CZ-OE2 2.66Å; R113-E173 PolarHBondContact N-O 3.04Å; R113-E173 IonicContact NE-OE2 4Å; R113-E173 PolarHBondContact NE-OE2 2.99Å; R113-E173 IonicContact NH1-OE2 3.57Å; R113-E173 PolarHBondContact O-N 3.41Å; V115-E173 HydrophobicContact CG2-CB 3.54Å; E173-K237 WeakPolarHBondContact OE1-CE 2.75Å; E173-K237 IonicContact OE1-NZ 3.88Å; E173-K237 PolarHBondContact OE1-NZ 3.25Å; E173-Y238 HydrophobicContact CB-CD1 3.84Å; E173-Y238 HydrophobicContact CB-CE1 3.65Å; E173-Y238 HydrophobicContact CG-CD1 4.23Å; E173-Y238 HydrophobicContact CG-CE1 3.65Å
174	L	95.6	Very high	91.9	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	151.6	172.4	-57.1	179.8	0	0	0	110.3	Y105 A106 I172 E176 V178 I180 K237 V239 V260	Y105-L174 WeakPolarHBondContact O-CA 3.34Å; A106-L174 HydrophobicContact CB-CD2 3.97Å; I172-L174 HydrophobicContact CG2-CD2 4.27Å; L174-E176 WeakPolarHBondContact CB-O 3.41Å; L174-E176 PolarHBondContact O-N 3.46Å; L174-V178 HydrophobicContact CD1-CB 4.13Å; L174-V178 HydrophobicContact CD1-CG2 4.42Å; L174-I180 HydrophobicContact CD1-CD1 4.24Å; L174-K237 WeakPolarHBondContact CB-O 3.47Å; L174-K237 WeakPolarHBondContact CG-O 3.45Å; L174-K237 PolarHBondContact N-O 3.23Å; L174-V239 HydrophobicContact CD1-CG2 3.82Å; L174-V239 HydrophobicContact CD2-CG2 4.11Å; L174-V239 HydrophobicContact CG-CG2 3.94Å; L174-V260 HydrophobicContact CD1-CG1 4.07Å; L174-V260 HydrophobicContact CD2-CB 3.92Å; L174-V260 HydrophobicContact CD2-CG1 4.03Å; L174-V260 HydrophobicContact CD2-CG2 4.03Å
175	C	94.1	Very high	92.3	Very high	34 Å²	34	30.1 Å²	30.1	23%	0.23	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	-26.1	177.7	47.7	0	0	0	0	113.9	Y105 C110	Y105-C175 PolarHBondContact O-N 3.03Å; Y105-C175 PolarHBondContact O-SG 2.9Å; Y105-C175 VanDerWaalsContact O-SG 3.36Å; C110-C175 HydrophobicContact CB-CB 3.77Å; C110-C175 WeakPolarHBondContact CB-SG 3.44Å; C110-C175 WeakPolarHBondContact O-CB 3.45Å; C110-C175 WeakPolarHBondContact SG-CB 3.42Å; C110-C175 CovalentContact SG-SG 2.04Å; C110-C175 PolarHBondContact SG-SG 3.39Å
176	E	93.9	Very high	93	Very high	55 Å²	55	21.8 Å²	21.8	26%	0.257	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	166.2	-179.6	-71.7	172.4	-149.3	0	0	110.2	R103 Y105 L174 V178 S264	R103-E176 IonicContact CZ-OE1 3.54Å; R103-E176 VanDerWaalsContact NH1-CD 3.34Å; R103-E176 IonicContact NH1-OE1 3.98Å; R103-E176 PolarHBondContact NH1-OE1 2.95Å; R103-E176 IonicContact NH1-OE2 2.72Å; R103-E176 PolarHBondContact NH1-OE2 3.49Å; R103-E176 VanDerWaalsContact NH1-OE2 3.17Å; R103-E176 IonicContact NH2-OE1 3.47Å; R103-E176 PolarHBondContact NH2-OE1 3.49Å; Y105-E176 HydrophobicContact CD1-CB 4.21Å; Y105-E176 HydrophobicContact CE1-CB 4.3Å; L174-E176 WeakPolarHBondContact CB-O 3.41Å; L174-E176 PolarHBondContact O-N 3.46Å; E176-V178 HydrophobicContact CB-CG2 4.25Å; E176-S264 WeakPolarHBondContact OE2-CB 3.31Å; E176-S264 PolarHBondContact OE2-OG 3.07Å
177	T	94.1	Very high	93.4	Very high	41 Å²	41	20.9 Å²	20.9	25%	0.252	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	120.7	166.5	37	0	0	0	0	109.8	K237 S264 M265	T177-K237 HydrophobicContact CG2-CB 4.01Å; T177-K237 HydrophobicContact CG2-CG 4.37Å; T177-S264 WeakPolarHBondContact O-CA 3.33Å; T177-M265 PolarHBondContact O-N 3.3Å
178	V	93.1	Very high	93.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	133.7	-165.4	174	0	0	0	0	110.8	Y105 L174 E176 I180 A236 I263	Y105-V178 HydrophobicContact CD1-CG2 3.43Å; Y105-V178 VanDerWaalsContact CD1-CG2 3.43Å; Y105-V178 HydrophobicContact CD2-CG1 3.88Å; Y105-V178 HydrophobicContact CD2-CG2 3.79Å; Y105-V178 HydrophobicContact CE1-CG2 3.8Å; Y105-V178 HydrophobicContact CE2-CG1 4.17Å; Y105-V178 HydrophobicContact CE2-CG2 4.13Å; Y105-V178 HydrophobicContact CG-CB 4.46Å; Y105-V178 HydrophobicContact CG-CG1 4.3Å; Y105-V178 HydrophobicContact CG-CG2 3.42Å; Y105-V178 VanDerWaalsContact CG-CG2 3.42Å; L174-V178 HydrophobicContact CD1-CB 4.13Å; L174-V178 HydrophobicContact CD1-CG2 4.42Å; E176-V178 HydrophobicContact CB-CG2 4.25Å; V178-I180 HydrophobicContact CG1-CG1 4.22Å; V178-I180 PolarHBondContact O-N 3.39Å; V178-A236 PolarHBondContact N-O 3.35Å; V178-A236 PolarHBondContact O-N 3.05Å; V178-I263 WeakPolarHBondContact CA-O 3.45Å
179	Q	92.6	Very high	93.1	Very high	36 Å²	36	19.5 Å²	19.5	17%	0.168	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	105.4	162.6	-174.4	-170.4	-49.5	0	0	107.6	S181 Y235 G262 I263	Q179-S181 PolarHBondContact O-N 3.3Å; Q179-Y235 HydrophobicContact CB-CD1 4.12Å; Q179-Y235 HydrophobicContact CB-CE1 3.79Å; Q179-Y235 HydrophobicContact CB-CE2 4.35Å; Q179-G262 WeakPolarHBondContact O-CA 3.36Å; Q179-I263 HydrophobicContact CB-CG1 4.02Å; Q179-I263 PolarHBondContact N-O 2.92Å; Q179-I263 PolarHBondContact O-N 3.3Å
180	I	93.3	Very high	92.6	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.015	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	120	-173	-59.1	177.7	0	0	0	109.7	L174 V178 V183 T202 L214 V230 A236 V239 V260	L174-I180 HydrophobicContact CD1-CD1 4.24Å; V178-I180 HydrophobicContact CG1-CG1 4.22Å; V178-I180 PolarHBondContact O-N 3.39Å; I180-V183 HydrophobicContact CG2-CG2 3.64Å; I180-T202 HydrophobicContact CD1-CG2 4.17Å; I180-L214 HydrophobicContact CB-CD1 4.37Å; I180-L214 HydrophobicContact CD1-CD1 4.02Å; I180-V230 HydrophobicContact CG2-CB 4.49Å; I180-V230 HydrophobicContact CG2-CG2 4.1Å; I180-V230 WeakPolarHBondContact O-CB 3.46Å; I180-V230 WeakPolarHBondContact O-CG1 3.47Å; I180-A236 HydrophobicContact CD1-CB 4.13Å; I180-V239 HydrophobicContact CD1-CG2 3.67Å; I180-V260 HydrophobicContact CB-CG1 4.39Å; I180-V260 HydrophobicContact CD1-CG1 3.67Å; I180-V260 HydrophobicContact CG1-CG1 3.67Å; I180-V260 HydrophobicContact CG2-CG1 3.94Å
181	S	91.4	Very high	92	Very high	46 Å²	46	30 Å²	30	32%	0.322	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-30.3	178.2	64.8	0	0	0	0	112.9	Q179 V230 L261 G262	Q179-S181 PolarHBondContact O-N 3.3Å; S181-V230 PolarHBondContact O-N 3.38Å; S181-L261 PolarHBondContact N-O 2.9Å; S181-L261 PolarHBondContact OG-O 2.97Å; S181-G262 WeakPolarHBondContact OG-CA 3.32Å
182	C	92.5	Very high	91.7	Very high	4 Å²	4	30.1 Å²	30.1	3%	0.027	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	136.8	177.3	-178.9	0	0	0	0	111	Y228 M229 L261	C182-Y228 CarbonylContact C-O 3.55Å; C182-Y228 VanDerWaalsContact CA-O 3.28Å; C182-Y228 WeakPolarHBondContact CA-O 3.41Å; C182-Y228 PolarHBondContact SG-O 3.46Å; C182-M229 HydrophobicContact CB-SD 3.79Å; C182-L261 HydrophobicContact CB-CB 4.24Å; C182-L261 HydrophobicContact CB-CD1 4.36Å; C182-L261 PolarHBondContact N-O 3.11Å; C182-L261 WeakPolarHBondContact O-CA 3.28Å; C182-L261 WeakPolarHBondContact O-CB 3.47Å; C182-L261 PolarHBondContact O-N 3.02Å
183	V	93.5	Very high	91.5	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.024	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	139.7	168.9	175.1	0	0	0	0	108.4	I180 L200 Y228 V230 R259 V260	I180-V183 HydrophobicContact CG2-CG2 3.64Å; V183-L200 HydrophobicContact CB-CD2 4.38Å; V183-L200 HydrophobicContact CG2-CD2 3.66Å; V183-Y228 PolarHBondContact N-O 2.96Å; V183-Y228 WeakPolarHBondContact O-CD2 3.24Å; V183-Y228 PolarHBondContact O-N 3.36Å; V183-V230 HydrophobicContact CG2-CG2 4.42Å; V183-R259 WeakPolarHBondContact CA-O 3.34Å; V183-V260 HydrophobicContact CG2-CG2 4.33Å
184	E	93.1	Very high	91.3	Very high	9 Å²	9	29 Å²	29	4%	0.042	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	138.4	-179.9	-49.1	-179.4	148.8	0	0	109.9	I225 Q226 R227 V258 R259 L261	E184-I225 HydrophobicContact CB-CG2 3.97Å; E184-Q226 CarbonylContact C-O 3.43Å; E184-Q226 WeakPolarHBondContact CA-O 3.39Å; E184-Q226 WeakPolarHBondContact CB-O 3.15Å; E184-R227 HydrophobicContact CG-CB 4.39Å; E184-R227 HydrophobicContact CG-CG 4.22Å; E184-R227 IonicContact OE1-CZ 3.34Å; E184-R227 IonicContact OE1-NE 2.7Å; E184-R227 PolarHBondContact OE1-NE 3.45Å; E184-R227 IonicContact OE1-NH2 3.08Å; E184-R227 PolarHBondContact OE1-NH2 2.96Å; E184-R227 VanDerWaalsContact OE1-NH2 3.08Å; E184-V258 CarbonylContact O-C 3.55Å; E184-V258 WeakPolarHBondContact O-CA 3.47Å; E184-R259 HydrophobicContact CB-CB 4.19Å; E184-R259 PolarHBondContact N-O 2.88Å; E184-R259 PolarHBondContact O-N 3.34Å; E184-R259 IonicContact OE2-CZ 3.14Å; E184-R259 IonicContact OE2-NE 2.65Å; E184-R259 PolarHBondContact OE2-NE 3.29Å; E184-R259 IonicContact OE2-NH2 2.68Å; E184-R259 PolarHBondContact OE2-NH2 3.14Å; E184-L261 HydrophobicContact CG-CD1 4.2Å; E184-L261 WeakPolarHBondContact OE1-CD1 3.47Å
185	M	92.2	Very high	91.1	Very high	7 Å²	7	29.6 Å²	29.6	3%	0.034	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	146.5	-172	-170.5	169.4	67.7	0	0	110.9	P195 F198 Q226 Y228 L255 L257 V258	M185-P195 HydrophobicContact CE-CB 4.46Å; M185-P195 HydrophobicContact CE-CG 4.13Å; M185-F198 HydrophobicContact CE-CD1 3.52Å; M185-F198 HydrophobicContact CE-CD2 3.97Å; M185-F198 HydrophobicContact CE-CE1 3.58Å; M185-F198 HydrophobicContact CE-CE2 4.03Å; M185-F198 HydrophobicContact CE-CG 3.73Å; M185-F198 HydrophobicContact CE-CZ 3.84Å; M185-Q226 PolarHBondContact N-O 3.2Å; M185-Q226 PolarHBondContact O-N 3.06Å; M185-Y228 HydrophobicContact CB-CE2 4.03Å; M185-L255 HydrophobicContact CG-CD1 3.68Å; M185-L255 HydrophobicContact CG-CD2 4.19Å; M185-L255 HydrophobicContact CG-CG 4.33Å; M185-L255 HydrophobicContact SD-CD1 3.86Å; M185-L255 HydrophobicContact SD-CD2 3.88Å; M185-L255 HydrophobicContact SD-CG 4.47Å; M185-L257 WeakPolarHBondContact CA-O 3.34Å; M185-V258 HydrophobicContact CG-CG2 4.41Å
186	A	90.5	Very high	91.2	Very high	2 Å²	2	31 Å²	31	2%	0.017	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	145.9	176.7	0	0	0	0	0	113.4	F188 I225 S256 L257	A186-F188 HydrophobicContact CB-CD1 4.37Å; A186-F188 HydrophobicContact CB-CD2 4.48Å; A186-F188 HydrophobicContact CB-CE1 3.68Å; A186-F188 HydrophobicContact CB-CE2 3.78Å; A186-F188 HydrophobicContact CB-CZ 3.33Å; A186-I225 HydrophobicContact CB-CG1 4.17Å; A186-S256 PolarHBondContact O-N 3.41Å; A186-L257 HydrophobicContact CB-CB 4.23Å; A186-L257 PolarHBondContact N-O 2.94Å; A186-L257 PolarHBondContact O-N 3.21Å
187	N	91	Very high	91.2	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.027	15%	0.154	C	C	.	.			trans	-114.9	123.2	157.6	175.9	9.5	0	0	0	107.9	E189 S192 R223 P254	N187-E189 PolarHBondContact OD1-N 3.45Å; N187-S192 PolarHBondContact ND2-OG 3.3Å; N187-R223 PolarHBondContact ND2-NH1 2.93Å; N187-R223 WeakPolarHBondContact O-CA 3.47Å; N187-P254 PolarHBondContact ND2-O 3.47Å
188	F	87.7	Confident	91.3	Very high	28 Å²	28	28.8 Å²	28.8	12%	0.123	14%	0.142	C	C	.	.			trans	-101.4	-11.4	178.5	-55.8	-64.2	0	0	0	113.7	I148 A186 L190 I225 S256 L257	I148-F188 HydrophobicContact CD1-CE1 4.49Å; A186-F188 HydrophobicContact CB-CD1 4.37Å; A186-F188 HydrophobicContact CB-CD2 4.48Å; A186-F188 HydrophobicContact CB-CE1 3.68Å; A186-F188 HydrophobicContact CB-CE2 3.78Å; A186-F188 HydrophobicContact CB-CZ 3.33Å; F188-L190 PolarHBondContact O-N 3Å; F188-I225 HydrophobicContact CE1-CG1 4.16Å; F188-I225 HydrophobicContact CZ-CD1 4.4Å; F188-I225 HydrophobicContact CZ-CG1 3.82Å; F188-S256 PolarHBondContact N-OG 2.83Å; F188-L257 HydrophobicContact CE2-CB 4Å; F188-L257 HydrophobicContact CZ-CD2 4.41Å
189	E	87.6	Confident	91.4	Very high	48 Å²	48	33.2 Å²	33.2	22%	0.224	16%	0.159	C	C	.	.			trans	-70.3	119.1	-179.3	175.6	52.7	-100.1	0	0	110.3	Y157 N187 F191 S192 R223 P254	Y157-E189 HydrophobicContact CE1-CB 4.14Å; Y157-E189 HydrophobicContact CE1-CG 4.42Å; Y157-E189 WeakPolarHBondContact CE1-OE2 3.49Å; Y157-E189 PolarHBondContact OH-OE2 2.86Å; N187-E189 PolarHBondContact OD1-N 3.45Å; E189-F191 PolarHBondContact OE1-N 3.1Å; E189-F191 VanDerWaalsContact OE1-N 3.07Å; E189-S192 PolarHBondContact O-OG 3.02Å; E189-R223 PolarHBondContact O-NE 2.76Å; E189-R223 PolarHBondContact O-NH1 3.37Å; E189-R223 PolarHBondContact O-NH2 2.96Å; E189-P254 HydrophobicContact CB-CG 3.98Å; E189-P254 HydrophobicContact CG-CG 4.29Å
190	L	83.7	Confident	91.6	Very high	100 Å²	100	31.6 Å²	31.6	52%	0.524	15%	0.152	S	C	.	.	S	Bend	trans	-67.3	-42.5	-173.6	-62	-179.8	0	0	0	112	F188 S192 R223	F188-L190 PolarHBondContact O-N 3Å; L190-S192 PolarHBondContact O-N 2.99Å; L190-R223 HydrophobicContact CD2-CG 4.07Å; L190-R223 PolarHBondContact O-NH2 3.32Å
191	F	83.3	Confident	91.7	Very high	173 Å²	173	32.3 Å²	32.3	76%	0.759	16%	0.156	S	C	*	.	S	Bend	trans	-99.1	54	-173	-57.6	-75.8	0	0	0	111.2	E189	E189-F191 PolarHBondContact OE1-N 3.1Å; E189-F191 VanDerWaalsContact OE1-N 3.07Å
192	S	89	Confident	91.9	Very high	10 Å²	10	30.3 Å²	30.3	7%	0.07	14%	0.142	C	C	.	.	S	Bend	trans	-150.1	160.8	-176.3	72.7	0	0	0	0	114.1	N187 E189 L190 R223 P254	N187-S192 PolarHBondContact ND2-OG 3.3Å; E189-S192 PolarHBondContact O-OG 3.02Å; L190-S192 PolarHBondContact O-N 2.99Å; S192-R223 PolarHBondContact O-NH2 3.47Å; S192-P254 VanDerWaalsContact CB-CG 3.41Å; S192-P254 VanDerWaalsContact OG-CG 3.26Å; S192-P254 WeakPolarHBondContact OG-CG 3.29Å
193	S	91.9	Very high	92.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-75.2	125.4	173.5	-84.4	0	0	0	0	111.4	C162 Y247 E250 F252 C253	C162-S193 WeakPolarHBondContact SG-CB 3.48Å; S193-Y247 WeakPolarHBondContact CA-O 3.25Å; S193-Y247 WeakPolarHBondContact CB-O 3.33Å; S193-Y247 PolarHBondContact OG-O 2.95Å; S193-E250 PolarHBondContact OG-N 3.35Å; S193-F252 PolarHBondContact N-O 3.47Å; S193-F252 VanDerWaalsContact N-O 3.13Å; S193-C253 VanDerWaalsContact CB-SG 3.55Å
194	S	92.3	Very high	92.1	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.028	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-78.3	147.5	175.9	-55.3	0	0	0	0	111.1	D221 R223 H246 Y247	S194-D221 WeakPolarHBondContact CB-OD1 3.49Å; S194-D221 PolarHBondContact OG-OD1 3.23Å; S194-R223 PolarHBondContact OG-NH1 3.27Å; S194-H246 CarbonylContact O-C 3.43Å; S194-H246 WeakPolarHBondContact O-CA 3.36Å; S194-H246 VanDerWaalsContact O-CB 3.27Å; S194-H246 WeakPolarHBondContact O-CB 3.23Å; S194-Y247 PolarHBondContact N-O 3.37Å; S194-Y247 PolarHBondContact O-N 2.99Å
195	P	92.9	Very high	92.1	Very high	13 Å²	13	42 Å²	42	8%	0.084	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-60.8	145.6	165.6	29	-35.4	0	0	0	110.5	M185 L243 L255	M185-P195 HydrophobicContact CE-CB 4.46Å; M185-P195 HydrophobicContact CE-CG 4.13Å; P195-L243 HydrophobicContact CB-CD2 4.02Å; P195-L255 HydrophobicContact CG-CD1 4.16Å
196	K	94.8	Very high	92.1	Very high	63 Å²	63	45.2 Å²	45.2	27%	0.274	20%	0.202	S	C	.	.			trans	-114.5	-90.2	177.5	174.9	177.3	176	-66.9	0	109.8	T218 A219 S245 Y247	K196-T218 HydrophobicContact CG-CG2 4.06Å; K196-T218 CarbonylContact O-C 3.52Å; K196-T218 WeakPolarHBondContact O-CA 3.4Å; K196-A219 PolarHBondContact O-N 2.9Å; K196-S245 VanDerWaalsContact CB-OG 3.29Å; K196-S245 WeakPolarHBondContact CB-OG 3.42Å; K196-S245 WeakPolarHBondContact CG-OG 3.32Å; K196-S245 PolarHBondContact N-O 2.83Å; K196-Y247 HydrophobicContact CB-CD2 3.63Å; K196-Y247 HydrophobicContact CB-CE2 3.51Å; K196-Y247 HydrophobicContact CB-CG 4.23Å; K196-Y247 HydrophobicContact CD-CD1 4.18Å; K196-Y247 HydrophobicContact CD-CE1 3.86Å; K196-Y247 HydrophobicContact CD-CE2 4.28Å; K196-Y247 HydrophobicContact CG-CD2 4.18Å; K196-Y247 HydrophobicContact CG-CE1 4.1Å; K196-Y247 HydrophobicContact CG-CE2 3.66Å
197	E	95.5	Very high	92.2	Very high	47 Å²	47	50.5 Å²	50.5	22%	0.22	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	135.4	168	-78.6	81.8	-130.4	0	0	110.4	L244 S245	E197-L244 HydrophobicContact CB-CB 3.91Å; E197-L244 HydrophobicContact CB-CD1 4.27Å; E197-L244 PolarHBondContact O-N 3.02Å; E197-S245 WeakPolarHBondContact CB-OG 3.4Å; E197-S245 PolarHBondContact N-OG 3.06Å; E197-S245 PolarHBondContact O-N 2.89Å; E197-S245 WeakPolarHBondContact OE2-CB 3.13Å; E197-S245 PolarHBondContact OE2-OG 2.92Å
198	F	95.6	Very high	92.1	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.009	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	149.1	168.5	72.8	-80.1	0	0	0	110.9	M185 E216 W217 A219 Y228 V241 E242 L243	M185-F198 HydrophobicContact CE-CD1 3.52Å; M185-F198 HydrophobicContact CE-CD2 3.97Å; M185-F198 HydrophobicContact CE-CE1 3.58Å; M185-F198 HydrophobicContact CE-CE2 4.03Å; M185-F198 HydrophobicContact CE-CG 3.73Å; M185-F198 HydrophobicContact CE-CZ 3.84Å; F198-E216 WeakPolarHBondContact O-CA 3.44Å; F198-W217 HydrophobicContact CD1-CB 4.48Å; F198-W217 VanDerWaalsContact CD1-O 3.28Å; F198-W217 WeakPolarHBondContact CD1-O 3.5Å; F198-W217 HydrophobicContact CE1-CB 3.74Å; F198-W217 AromaticContact CE2-CE3 3.82Å; F198-W217 HydrophobicContact CE2-CE3 3.82Å; F198-W217 HydrophobicContact CE2-CZ3 4.5Å; F198-W217 HydrophobicContact CZ-CB 3.8Å; F198-W217 HydrophobicContact CZ-CD2 4.39Å; F198-W217 HydrophobicContact CZ-CE3 4.01Å; F198-W217 HydrophobicContact CZ-CG 4.37Å; F198-W217 PolarHBondContact N-O 3.31Å; F198-W217 PolarHBondContact O-N 3.13Å; F198-A219 HydrophobicContact CD1-CB 4.28Å; F198-A219 HydrophobicContact CE1-CB 4.12Å; F198-Y228 HydrophobicContact CE1-CD1 4.24Å; F198-Y228 AromaticContact CE1-CE1 3.72Å; F198-Y228 HydrophobicContact CE1-CE1 3.72Å; F198-Y228 HydrophobicContact CE1-CE2 4.05Å; F198-Y228 AromaticContact CE1-CZ 3.61Å; F198-Y228 AromaticContact CZ-CD1 3.85Å; F198-Y228 HydrophobicContact CZ-CD1 3.85Å; F198-Y228 AromaticContact CZ-CD2 3.71Å; F198-Y228 HydrophobicContact CZ-CD2 3.71Å; F198-Y228 AromaticContact CZ-CE1 3.75Å; F198-Y228 HydrophobicContact CZ-CE1 3.75Å; F198-Y228 AromaticContact CZ-CE2 3.62Å; F198-Y228 HydrophobicContact CZ-CE2 3.62Å; F198-Y228 AromaticContact CZ-CG 3.83Å; F198-Y228 HydrophobicContact CZ-CG 3.83Å; F198-Y228 AromaticContact CZ-CZ 3.63Å; F198-V241 HydrophobicContact CD2-CG1 4.46Å; F198-E242 CarbonylContact C-O 3.54Å; F198-E242 VanDerWaalsContact CA-O 3.23Å; F198-E242 WeakPolarHBondContact CA-O 3.26Å; F198-E242 WeakPolarHBondContact CB-O 3.2Å; F198-L243 HydrophobicContact CB-CD2 3.8Å
199	R	95.9	Very high	92.2	Very high	94 Å²	94	57 Å²	57	36%	0.355	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	153.4	175.7	65.9	-179.5	-178.5	-165.8	1.5	112.3	L213 G215 E216 E242 L244	R199-L213 HydrophobicContact CB-CD1 4.28Å; R199-G215 WeakPolarHBondContact CA-O 3.46Å; R199-E216 HydrophobicContact CB-CB 4.02Å; R199-E216 HydrophobicContact CB-CG 3.98Å; R199-E242 HydrophobicContact CG-CB 3.94Å; R199-E242 HydrophobicContact CG-CG 4.46Å; R199-E242 IonicContact CZ-OE2 3.16Å; R199-E242 PolarHBondContact N-O 3.25Å; R199-E242 IonicContact NE-OE2 2.77Å; R199-E242 PolarHBondContact NE-OE2 3.5Å; R199-E242 IonicContact NH2-OE2 2.71Å; R199-E242 PolarHBondContact NH2-OE2 3.42Å; R199-E242 PolarHBondContact O-N 2.85Å; R199-L244 HydrophobicContact CB-CD1 4.26Å; R199-L244 HydrophobicContact CG-CD1 4.13Å; R199-L244 HydrophobicContact CG-CD2 4.17Å; R199-L244 HydrophobicContact CG-CG 4.31Å
200	L	95.6	Very high	92.4	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	123.8	-174.8	-167.6	74.6	0	0	0	110	V183 L214 G215 W217 V239 V241	V183-L200 HydrophobicContact CB-CD2 4.38Å; V183-L200 HydrophobicContact CG2-CD2 3.66Å; L200-L214 HydrophobicContact CB-CB 4.36Å; L200-L214 HydrophobicContact CD2-CB 4.02Å; L200-L214 HydrophobicContact CD2-CD1 3.66Å; L200-L214 HydrophobicContact CD2-CG 4.44Å; L200-L214 HydrophobicContact CG-CB 4.35Å; L200-L214 HydrophobicContact CG-CD1 4.26Å; L200-L214 PolarHBondContact O-N 2.9Å; L200-G215 PolarHBondContact N-O 3.05Å; L200-W217 HydrophobicContact CB-CH2 4.45Å; L200-W217 HydrophobicContact CB-CZ3 3.7Å; L200-W217 HydrophobicContact CD2-CH2 4.37Å; L200-W217 HydrophobicContact CD2-CZ3 4.22Å; L200-V239 HydrophobicContact CD1-CG1 3.43Å; L200-V239 VanDerWaalsContact CD1-CG1 3.43Å; L200-V239 HydrophobicContact CG-CG1 4.07Å; L200-V241 HydrophobicContact CD1-CG2 3.75Å
201	V	95.7	Very high	92.9	Very high	19 Å²	19	59.5 Å²	59.5	12%	0.115	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	136.2	-175	-149.6	0	0	0	0	109.4	W211 H212 L213 K240	V201-W211 HydrophobicContact CB-CE3 4.47Å; V201-W211 HydrophobicContact CG1-CB 3.7Å; V201-H212 CarbonylContact C-O 3.47Å; V201-H212 WeakPolarHBondContact CA-O 3.41Å; V201-H212 VanDerWaalsContact CG1-O 3.32Å; V201-H212 WeakPolarHBondContact CG1-O 3.2Å; V201-L213 HydrophobicContact CG2-CD1 4.32Å; V201-K240 HydrophobicContact CB-CB 4.5Å; V201-K240 PolarHBondContact N-O 3.27Å; V201-K240 WeakPolarHBondContact O-CA 3.45Å; V201-K240 WeakPolarHBondContact O-CB 3.31Å; V201-K240 PolarHBondContact O-N 3.31Å
202	T	96.1	Very high	93.5	Very high	4 Å²	4	55 Å²	55	3%	0.025	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	155.3	-171.3	48.2	0	0	0	0	114.6	I180 W211 H212 L214 A236 Y238 V239	I180-T202 HydrophobicContact CD1-CG2 4.17Å; T202-W211 WeakPolarHBondContact O-CA 3.37Å; T202-H212 PolarHBondContact N-O 2.83Å; T202-H212 PolarHBondContact O-N 2.92Å; T202-H212 PolarHBondContact OG1-O 2.96Å; T202-L214 HydrophobicContact CG2-CD1 3.38Å; T202-L214 HydrophobicContact CG2-CG 3.82Å; T202-A236 HydrophobicContact CG2-CB 3.79Å; T202-Y238 VanDerWaalsContact CA-O 3.31Å; T202-Y238 WeakPolarHBondContact CA-O 3.06Å; T202-V239 HydrophobicContact CG2-CB 4.35Å; T202-V239 HydrophobicContact CG2-CG1 4.2Å; T202-V239 HydrophobicContact CG2-CG2 4.04Å
203	S	95.7	Very high	93.7	Very high	5 Å²	5	59.4 Å²	59.4	4%	0.035	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	153.8	168.5	61.1	0	0	0	0	111.5	R205 W211 K237 Y238	S203-R205 WeakPolarHBondContact CB-O 3.49Å; S203-R205 PolarHBondContact OG-O 2.91Å; S203-W211 WeakPolarHBondContact OG-CH2 3.4Å; S203-W211 WeakPolarHBondContact OG-CZ3 3.32Å; S203-K237 PolarHBondContact O-N 2.67Å; S203-K237 VanDerWaalsContact O-N 3.11Å; S203-Y238 PolarHBondContact N-O 2.94Å; S203-Y238 PolarHBondContact O-N 3.16Å
204	E	93.2	Very high	93.8	Very high	97 Å²	97	60 Å²	60	45%	0.453	30%	0.298	S	S	.	.	S	Bend	trans	-74.9	-31.1	172.1	-165.8	-146.4	155.8	0	0	111	Y238	E204-Y238 WeakPolarHBondContact O-CE2 3.28Å
205	R	93.1	Very high	93.9	Very high	160 Å²	160	60.7 Å²	60.7	60%	0.604	31%	0.305	S	S	*	.	S	Bend	trans	-127	152.8	-168.7	-64	167.4	-166.2	-89.8	-13.3	110.9	S203 S208 Y238	S203-R205 WeakPolarHBondContact CB-O 3.49Å; S203-R205 PolarHBondContact OG-O 2.91Å; R205-S208 VanDerWaalsContact O-CB 3.31Å; R205-S208 WeakPolarHBondContact O-CB 3.34Å; R205-Y238 VanDerWaalsContact C-CD2 3.5Å
206	Y	92.8	Very high	94	Very high	75 Å²	75	65 Å²	65	29%	0.294	32%	0.324	S	S	.	.	S	Bend	trans	-141.1	134.5	175.4	-174.5	-87.6	0	0	0	110.4	V115 M116 I171 W211 Y238	V115-Y206 HydrophobicContact CG1-CD1 3.73Å; V115-Y206 HydrophobicContact CG1-CD2 4.42Å; V115-Y206 HydrophobicContact CG1-CE1 3.38Å; V115-Y206 HydrophobicContact CG1-CE2 4.13Å; V115-Y206 HydrophobicContact CG1-CG 4.24Å; M116-Y206 VanDerWaalsContact CE-OH 3.27Å; M116-Y206 WeakPolarHBondContact CE-OH 3.41Å; I171-Y206 HydrophobicContact CD1-CE2 3.85Å; Y206-W211 HydrophobicContact CD2-CH2 4.41Å; Y206-W211 HydrophobicContact CD2-CZ2 4.15Å; Y206-W211 HydrophobicContact CE2-CZ2 4.45Å; Y206-Y238 HydrophobicContact CG-CD1 4.3Å; Y206-Y238 HydrophobicContact CG-CE1 4.34Å
207	P	92.7	Very high	94	Very high	113 Å²	113	64.6 Å²	64.6	73%	0.734	32%	0.321	S	S	*	.	S	Bend	cis	-63.9	152.3	-10.5	29.7	-35.7	0	0	0	111.6
208	S	89.4	Confident	94.1	Very high	38 Å²	38	66.3 Å²	66.3	27%	0.266	34%	0.335	S	S	.	.			trans	-135.5	142.5	173	-177.5	0	0	0	0	109.5	R205 E210 W211	R205-S208 VanDerWaalsContact O-CB 3.31Å; R205-S208 WeakPolarHBondContact O-CB 3.34Å; S208-E210 WeakPolarHBondContact CB-O 3.25Å; S208-E210 PolarHBondContact OG-N 2.83Å; S208-E210 PolarHBondContact OG-O 3.39Å; S208-W211 PolarHBondContact O-NE1 3.36Å
209	S	89.7	Confident	94.1	Very high	130 Å²	130	66.3 Å²	66.3	91%	0.909	34%	0.335	S	S	*	.	S	Bend	trans	-79.7	-30	165.4	46.9	0	0	0	0	111.9
210	E	92.1	Very high	94	Very high	131 Å²	131	64.4 Å²	64.4	61%	0.612	34%	0.339	S	S	*	.			trans	-93.4	126.4	-179.2	-173.7	172.8	-136.3	0	0	110.9	S208 H212	S208-E210 WeakPolarHBondContact CB-O 3.25Å; S208-E210 PolarHBondContact OG-N 2.83Å; S208-E210 PolarHBondContact OG-O 3.39Å; E210-H212 IonicContact OE1-CE1 2.77Å
211	W	94.1	Very high	93.8	Very high	70 Å²	70	68.9 Å²	68.9	27%	0.265	36%	0.364	S	S	.	.			trans	-139.2	124.6	-177.9	-75.1	86.2	0	0	0	109.5	I171 V201 T202 S203 Y206 S208 K240	I171-W211 HydrophobicContact CD1-CH2 4.07Å; I171-W211 HydrophobicContact CD1-CZ2 4.28Å; I171-W211 HydrophobicContact CG1-CH2 4.46Å; I171-W211 HydrophobicContact CG2-CH2 4.15Å; V201-W211 HydrophobicContact CB-CE3 4.47Å; V201-W211 HydrophobicContact CG1-CB 3.7Å; T202-W211 WeakPolarHBondContact O-CA 3.37Å; S203-W211 WeakPolarHBondContact OG-CH2 3.4Å; S203-W211 WeakPolarHBondContact OG-CZ3 3.32Å; Y206-W211 HydrophobicContact CD2-CH2 4.41Å; Y206-W211 HydrophobicContact CD2-CZ2 4.15Å; Y206-W211 HydrophobicContact CE2-CZ2 4.45Å; S208-W211 PolarHBondContact O-NE1 3.36Å; W211-K240 HydrophobicContact CE3-CB 4.16Å; W211-K240 HydrophobicContact CH2-CB 4.28Å; W211-K240 HydrophobicContact CZ3-CB 3.69Å
212	H	94.4	Very high	93.5	Very high	78 Å²	78	69.9 Å²	69.9	36%	0.361	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.1	-174.3	-68.2	77.4	0	0	0	110.9	V201 T202 E210 L214 L234	V201-H212 CarbonylContact C-O 3.47Å; V201-H212 WeakPolarHBondContact CA-O 3.41Å; V201-H212 VanDerWaalsContact CG1-O 3.32Å; V201-H212 WeakPolarHBondContact CG1-O 3.2Å; T202-H212 PolarHBondContact N-O 2.83Å; T202-H212 PolarHBondContact O-N 2.92Å; T202-H212 PolarHBondContact OG1-O 2.96Å; E210-H212 IonicContact OE1-CE1 2.77Å; H212-L214 PolarHBondContact O-N 3.05Å; H212-L234 HydrophobicContact CB-CD1 3.74Å
213	L	94.8	Very high	93.1	Very high	104 Å²	104	72.8 Å²	72.8	55%	0.545	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	117.9	174.7	-176.9	67.6	0	0	0	110	R199 V201	R199-L213 HydrophobicContact CB-CD1 4.28Å; V201-L213 HydrophobicContact CG2-CD1 4.32Å
214	L	93.8	Very high	92.7	Very high	13 Å²	13	78.9 Å²	78.9	7%	0.068	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	-28.1	172.2	-71	-172	0	0	0	112.5	I180 L200 T202 H212 V230	I180-L214 HydrophobicContact CB-CD1 4.37Å; I180-L214 HydrophobicContact CD1-CD1 4.02Å; L200-L214 HydrophobicContact CB-CB 4.36Å; L200-L214 HydrophobicContact CD2-CB 4.02Å; L200-L214 HydrophobicContact CD2-CD1 3.66Å; L200-L214 HydrophobicContact CD2-CG 4.44Å; L200-L214 HydrophobicContact CG-CB 4.35Å; L200-L214 HydrophobicContact CG-CD1 4.26Å; L200-L214 PolarHBondContact O-N 2.9Å; T202-L214 HydrophobicContact CG2-CD1 3.38Å; T202-L214 HydrophobicContact CG2-CG 3.82Å; H212-L214 PolarHBondContact O-N 3.05Å; L214-V230 HydrophobicContact CB-CG1 4.2Å; L214-V230 HydrophobicContact CD1-CG1 4.21Å; L214-V230 HydrophobicContact CD2-CG1 4.12Å; L214-V230 HydrophobicContact CG-CG1 4.43Å
215	G	93.2	Very high	92.5	Very high	17 Å²	17	77.1 Å²	77.1	18%	0.175	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.1	173.3	177.3	0	0	0	0	0	113.3	R199 L200 W217	R199-G215 WeakPolarHBondContact CA-O 3.46Å; L200-G215 PolarHBondContact N-O 3.05Å; G215-W217 VanDerWaalsContact C-CZ3 3.47Å; G215-W217 WeakPolarHBondContact O-CZ3 3.5Å
216	E	95.8	Very high	92.4	Very high	103 Å²	103	71 Å²	71	48%	0.481	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	135.1	172.5	-174.3	169.1	136.3	0	0	107.7	F198 R199 L244	F198-E216 WeakPolarHBondContact O-CA 3.44Å; R199-E216 HydrophobicContact CB-CB 4.02Å; R199-E216 HydrophobicContact CB-CG 3.98Å; E216-L244 VanDerWaalsContact CD-CD1 3.41Å; E216-L244 HydrophobicContact CG-CD1 4.06Å; E216-L244 WeakPolarHBondContact OE1-CD1 3.22Å; E216-L244 WeakPolarHBondContact OE2-CD1 3.14Å
217	W	95.9	Very high	92.4	Very high	55 Å²	55	73.7 Å²	73.7	21%	0.208	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	147.1	-175.7	-61.6	-90.1	0	0	0	110.8	F198 L200 G215 Y228 V230	F198-W217 HydrophobicContact CD1-CB 4.48Å; F198-W217 VanDerWaalsContact CD1-O 3.28Å; F198-W217 WeakPolarHBondContact CD1-O 3.5Å; F198-W217 HydrophobicContact CE1-CB 3.74Å; F198-W217 AromaticContact CE2-CE3 3.82Å; F198-W217 HydrophobicContact CE2-CE3 3.82Å; F198-W217 HydrophobicContact CE2-CZ3 4.5Å; F198-W217 HydrophobicContact CZ-CB 3.8Å; F198-W217 HydrophobicContact CZ-CD2 4.39Å; F198-W217 HydrophobicContact CZ-CE3 4.01Å; F198-W217 HydrophobicContact CZ-CG 4.37Å; F198-W217 PolarHBondContact N-O 3.31Å; F198-W217 PolarHBondContact O-N 3.13Å; L200-W217 HydrophobicContact CB-CH2 4.45Å; L200-W217 HydrophobicContact CB-CZ3 3.7Å; L200-W217 HydrophobicContact CD2-CH2 4.37Å; L200-W217 HydrophobicContact CD2-CZ3 4.22Å; G215-W217 VanDerWaalsContact C-CZ3 3.47Å; G215-W217 WeakPolarHBondContact O-CZ3 3.5Å; W217-Y228 HydrophobicContact CB-CD1 3.81Å; W217-Y228 HydrophobicContact CB-CE1 4.11Å; W217-Y228 AromaticContact CD1-CD1 3.96Å; W217-Y228 HydrophobicContact CD2-CD1 4.39Å; W217-Y228 AromaticContact CG-CD1 3.78Å; W217-Y228 HydrophobicContact CG-CD1 3.78Å; W217-Y228 HydrophobicContact CG-CG 4.34Å; W217-V230 HydrophobicContact CH2-CG2 4.04Å; W217-V230 HydrophobicContact CZ2-CG2 4.23Å
218	T	96.7	Very high	92.5	Very high	84 Å²	84	69.2 Å²	69.2	52%	0.515	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	114.4	164.1	-45.1	0	0	0	0	108.5	K196	K196-T218 HydrophobicContact CG-CG2 4.06Å; K196-T218 CarbonylContact O-C 3.52Å; K196-T218 WeakPolarHBondContact O-CA 3.4Å
219	A	94.6	Very high	92.6	Very high	2 Å²	2	73 Å²	73	2%	0.017	37%	0.374	C	S	.	.			trans	-67.8	149.7	167	0	0	0	0	0	110.2	K196 F198 Y228 Y247	K196-A219 PolarHBondContact O-N 2.9Å; F198-A219 HydrophobicContact CD1-CB 4.28Å; F198-A219 HydrophobicContact CE1-CB 4.12Å; A219-Y228 WeakPolarHBondContact CA-OH 3.45Å; A219-Y228 VanDerWaalsContact CB-OH 3.22Å; A219-Y228 WeakPolarHBondContact CB-OH 3.43Å; A219-Y247 WeakPolarHBondContact O-CE2 3.11Å; A219-Y247 PolarHBondContact O-OH 3.27Å
220	A	94.1	Very high	92.7	Very high	53 Å²	53	67.6 Å²	67.6	44%	0.438	34%	0.336	S	S	.	.			trans	-80.5	149.2	168	0	0	0	0	0	110.7	S222 Q226	A220-S222 VanDerWaalsContact C-N 3.28Å; A220-S222 PolarHBondContact O-N 3.33Å; A220-Q226 PolarHBondContact O-NE2 2.99Å
221	D	92.9	Very high	92.5	Very high	96 Å²	96	66.1 Å²	66.1	51%	0.513	35%	0.346	S	S	.	.	S	Bend	trans	-73	83.5	170.5	-168.7	18.8	0	0	0	110.4	S194 Y247	S194-D221 WeakPolarHBondContact CB-OD1 3.49Å; S194-D221 PolarHBondContact OG-OD1 3.23Å; D221-Y247 HydrophobicContact CB-CD1 4.3Å; D221-Y247 HydrophobicContact CB-CD2 3.82Å; D221-Y247 HydrophobicContact CB-CE2 4.09Å; D221-Y247 HydrophobicContact CB-CG 3.93Å
222	S	88.6	Confident	92	Very high	39 Å²	39	64.7 Å²	64.7	27%	0.273	35%	0.346	S	S	.	.			trans	-147	137.7	-176.1	73.4	0	0	0	0	112.3	A220 Q224 Q226	A220-S222 VanDerWaalsContact C-N 3.28Å; A220-S222 PolarHBondContact O-N 3.33Å; S222-Q224 PolarHBondContact O-N 2.67Å; S222-Q226 PolarHBondContact OG-NE2 3.04Å
223	R	87.5	Confident	91.6	Very high	66 Å²	66	69 Å²	69	25%	0.249	36%	0.364	C	S	.	.	S	Bend	trans	-82.3	36.6	179.2	-53.8	-65.6	-177.6	-142.8	2	112.7	N187 E189 L190 S192 S194	N187-R223 PolarHBondContact ND2-NH1 2.93Å; N187-R223 WeakPolarHBondContact O-CA 3.47Å; E189-R223 PolarHBondContact O-NE 2.76Å; E189-R223 PolarHBondContact O-NH1 3.37Å; E189-R223 PolarHBondContact O-NH2 2.96Å; L190-R223 HydrophobicContact CD2-CG 4.07Å; L190-R223 PolarHBondContact O-NH2 3.32Å; S192-R223 PolarHBondContact O-NH2 3.47Å; S194-R223 PolarHBondContact OG-NH1 3.27Å
224	Q	86.8	Confident	91.4	Very high	133 Å²	133	67.5 Å²	67.5	62%	0.621	36%	0.356	S	S	*	.	S	Bend	trans	-128.3	167.3	-175.5	-64.9	-170.2	4.3	0	0	111.1	S222 Q226	S222-Q224 PolarHBondContact O-N 2.67Å; Q224-Q226 PolarHBondContact O-N 3.39Å
225	I	89.6	Confident	91.3	Very high	59 Å²	59	70 Å²	70	30%	0.303	37%	0.365	S	S	.	.			trans	-77	116.4	176.1	-56.2	175.9	0	0	0	108.8	E184 A186 F188 L257	E184-I225 HydrophobicContact CB-CG2 3.97Å; A186-I225 HydrophobicContact CB-CG1 4.17Å; F188-I225 HydrophobicContact CE1-CG1 4.16Å; F188-I225 HydrophobicContact CZ-CD1 4.4Å; F188-I225 HydrophobicContact CZ-CG1 3.82Å; I225-L257 HydrophobicContact CD1-CD2 3.83Å; I225-L257 HydrophobicContact CG1-CD2 4.13Å
226	Q	91.4	Very high	91.4	Very high	33 Å²	33	69.2 Å²	69.2	15%	0.154	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	146.4	178	-60	179.9	52.9	0	0	109.5	E184 M185 A220 S222 Q224 Y228	E184-Q226 CarbonylContact C-O 3.43Å; E184-Q226 WeakPolarHBondContact CA-O 3.39Å; E184-Q226 WeakPolarHBondContact CB-O 3.15Å; M185-Q226 PolarHBondContact N-O 3.2Å; M185-Q226 PolarHBondContact O-N 3.06Å; A220-Q226 PolarHBondContact O-NE2 2.99Å; S222-Q226 PolarHBondContact OG-NE2 3.04Å; Q224-Q226 PolarHBondContact O-N 3.39Å; Q226-Y228 HydrophobicContact CB-CE2 3.86Å; Q226-Y228 VanDerWaalsContact CB-OH 3.32Å; Q226-Y228 WeakPolarHBondContact CB-OH 3.31Å; Q226-Y228 PolarHBondContact OE1-OH 2.83Å; Q226-Y228 VanDerWaalsContact OE1-OH 3.07Å
227	R	92.8	Very high	91.4	Very high	131 Å²	131	66.8 Å²	66.8	49%	0.494	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	127.6	-173.4	-47	-175.8	76.5	-145.6	-4.7	109.8	E184	E184-R227 HydrophobicContact CG-CB 4.39Å; E184-R227 HydrophobicContact CG-CG 4.22Å; E184-R227 IonicContact OE1-CZ 3.34Å; E184-R227 IonicContact OE1-NE 2.7Å; E184-R227 PolarHBondContact OE1-NE 3.45Å; E184-R227 IonicContact OE1-NH2 3.08Å; E184-R227 PolarHBondContact OE1-NH2 2.96Å; E184-R227 VanDerWaalsContact OE1-NH2 3.08Å
228	Y	94.1	Very high	91.4	Very high	18 Å²	18	65.5 Å²	65.5	7%	0.071	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	124.2	-178.7	-49.2	-85.2	0	0	0	108.3	C182 V183 M185 F198 W217 A219 Q226	C182-Y228 CarbonylContact C-O 3.55Å; C182-Y228 VanDerWaalsContact CA-O 3.28Å; C182-Y228 WeakPolarHBondContact CA-O 3.41Å; C182-Y228 PolarHBondContact SG-O 3.46Å; V183-Y228 PolarHBondContact N-O 2.96Å; V183-Y228 WeakPolarHBondContact O-CD2 3.24Å; V183-Y228 PolarHBondContact O-N 3.36Å; M185-Y228 HydrophobicContact CB-CE2 4.03Å; F198-Y228 HydrophobicContact CE1-CD1 4.24Å; F198-Y228 AromaticContact CE1-CE1 3.72Å; F198-Y228 HydrophobicContact CE1-CE1 3.72Å; F198-Y228 HydrophobicContact CE1-CE2 4.05Å; F198-Y228 AromaticContact CE1-CZ 3.61Å; F198-Y228 AromaticContact CZ-CD1 3.85Å; F198-Y228 HydrophobicContact CZ-CD1 3.85Å; F198-Y228 AromaticContact CZ-CD2 3.71Å; F198-Y228 HydrophobicContact CZ-CD2 3.71Å; F198-Y228 AromaticContact CZ-CE1 3.75Å; F198-Y228 HydrophobicContact CZ-CE1 3.75Å; F198-Y228 AromaticContact CZ-CE2 3.62Å; F198-Y228 HydrophobicContact CZ-CE2 3.62Å; F198-Y228 AromaticContact CZ-CG 3.83Å; F198-Y228 HydrophobicContact CZ-CG 3.83Å; F198-Y228 AromaticContact CZ-CZ 3.63Å; W217-Y228 HydrophobicContact CB-CD1 3.81Å; W217-Y228 HydrophobicContact CB-CE1 4.11Å; W217-Y228 AromaticContact CD1-CD1 3.96Å; W217-Y228 HydrophobicContact CD2-CD1 4.39Å; W217-Y228 AromaticContact CG-CD1 3.78Å; W217-Y228 HydrophobicContact CG-CD1 3.78Å; W217-Y228 HydrophobicContact CG-CG 4.34Å; A219-Y228 WeakPolarHBondContact CA-OH 3.45Å; A219-Y228 VanDerWaalsContact CB-OH 3.22Å; A219-Y228 WeakPolarHBondContact CB-OH 3.43Å; Q226-Y228 HydrophobicContact CB-CE2 3.86Å; Q226-Y228 VanDerWaalsContact CB-OH 3.32Å; Q226-Y228 WeakPolarHBondContact CB-OH 3.31Å; Q226-Y228 PolarHBondContact OE1-OH 2.83Å; Q226-Y228 VanDerWaalsContact OE1-OH 3.07Å
229	M	92.4	Very high	91.4	Very high	119 Å²	119	61.6 Å²	61.6	59%	0.586	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	138.4	-178.9	-59.9	-60.4	172.4	0	0	110.1	C182	C182-M229 HydrophobicContact CB-SD 3.79Å
230	V	91	Very high	91.4	Very high	16 Å²	16	63.5 Å²	63.5	10%	0.097	32%	0.324	C	S	.	.			trans	-110.9	127.1	-178.1	179	0	0	0	0	108.8	I180 S181 V183 L214 W217	I180-V230 HydrophobicContact CG2-CB 4.49Å; I180-V230 HydrophobicContact CG2-CG2 4.1Å; I180-V230 WeakPolarHBondContact O-CB 3.46Å; I180-V230 WeakPolarHBondContact O-CG1 3.47Å; S181-V230 PolarHBondContact O-N 3.38Å; V183-V230 HydrophobicContact CG2-CG2 4.42Å; L214-V230 HydrophobicContact CB-CG1 4.2Å; L214-V230 HydrophobicContact CD1-CG1 4.21Å; L214-V230 HydrophobicContact CD2-CG1 4.12Å; L214-V230 HydrophobicContact CG-CG1 4.43Å; W217-V230 HydrophobicContact CH2-CG2 4.04Å; W217-V230 HydrophobicContact CZ2-CG2 4.23Å
231	A	87.3	Confident	91.5	Very high	100 Å²	100	61.1 Å²	61.1	83%	0.826	30%	0.304	S	S	*	.			trans	-88.3	-21.8	-178.5	0	0	0	0	0	113.7
232	S	84.6	Confident	91.6	Very high	40 Å²	40	57.3 Å²	57.3	28%	0.28	28%	0.283	S	S	.	.			trans	-74.2	125.8	-173.6	-54.3	0	0	0	0	112.4	L234	S232-L234 PolarHBondContact O-N 3.49Å; S232-L234 VanDerWaalsContact O-N 3.11Å
233	K	84.7	Confident	91.9	Very high	169 Å²	169	56.1 Å²	56.1	74%	0.735	27%	0.274	S	S	*	.			trans	-81.9	30.2	175.3	-57.9	-169.1	177.8	-172.7	0	113.9
234	L	91.3	Very high	92.2	Very high	72 Å²	72	56.4 Å²	56.4	38%	0.377	28%	0.28	S	S	.	.			trans	-85.4	129.5	-177.7	-64.9	178.2	0	0	0	110.4	H212 S232	H212-L234 HydrophobicContact CB-CD1 3.74Å; S232-L234 PolarHBondContact O-N 3.49Å; S232-L234 VanDerWaalsContact O-N 3.11Å
235	Y	92.7	Very high	92.5	Very high	64 Å²	64	51.6 Å²	51.6	25%	0.251	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	126.5	168.7	-84.3	-76.3	0	0	0	110.3	Q179 M265 E268	Q179-Y235 HydrophobicContact CB-CD1 4.12Å; Q179-Y235 HydrophobicContact CB-CE1 3.79Å; Q179-Y235 HydrophobicContact CB-CE2 4.35Å; Y235-M265 HydrophobicContact CD1-CB 4.16Å; Y235-M265 HydrophobicContact CE1-CB 3.74Å; Y235-M265 HydrophobicContact CE1-CG 4.33Å; Y235-E268 WeakPolarHBondContact OH-CB 3.48Å; Y235-E268 PolarHBondContact OH-OE2 3.11Å
236	A	94.3	Very high	92.7	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.008	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	148.7	178.7	0	0	0	0	0	110.8	V178 I180 T202	V178-A236 PolarHBondContact N-O 3.35Å; V178-A236 PolarHBondContact O-N 3.05Å; I180-A236 HydrophobicContact CD1-CB 4.13Å; T202-A236 HydrophobicContact CG2-CB 3.79Å
237	K	95.1	Very high	92.8	Very high	52 Å²	52	53.4 Å²	53.4	23%	0.226	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	-30	164	-161.8	-169	169.7	-153.1	0	111.6	E173 L174 T177 S203	E173-K237 WeakPolarHBondContact OE1-CE 2.75Å; E173-K237 IonicContact OE1-NZ 3.88Å; E173-K237 PolarHBondContact OE1-NZ 3.25Å; L174-K237 WeakPolarHBondContact CB-O 3.47Å; L174-K237 WeakPolarHBondContact CG-O 3.45Å; L174-K237 PolarHBondContact N-O 3.23Å; T177-K237 HydrophobicContact CG2-CB 4.01Å; T177-K237 HydrophobicContact CG2-CG 4.37Å; S203-K237 PolarHBondContact O-N 2.67Å; S203-K237 VanDerWaalsContact O-N 3.11Å
238	Y	97	Very high	92.8	Very high	29 Å²	29	50 Å²	50	11%	0.114	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	132.8	-179.9	-56.2	-84.4	0	0	0	110.5	V115 I172 E173 T202 S203 E204 R205 Y206	V115-Y238 HydrophobicContact CG2-CD1 4.03Å; V115-Y238 HydrophobicContact CG2-CE1 4.11Å; I172-Y238 CarbonylContact O-C 3.54Å; I172-Y238 VanDerWaalsContact O-CA 3.31Å; I172-Y238 WeakPolarHBondContact O-CA 3.38Å; E173-Y238 HydrophobicContact CB-CD1 3.84Å; E173-Y238 HydrophobicContact CB-CE1 3.65Å; E173-Y238 HydrophobicContact CG-CD1 4.23Å; E173-Y238 HydrophobicContact CG-CE1 3.65Å; T202-Y238 VanDerWaalsContact CA-O 3.31Å; T202-Y238 WeakPolarHBondContact CA-O 3.06Å; S203-Y238 PolarHBondContact N-O 2.94Å; S203-Y238 PolarHBondContact O-N 3.16Å; E204-Y238 WeakPolarHBondContact O-CE2 3.28Å; R205-Y238 VanDerWaalsContact C-CD2 3.5Å; Y206-Y238 HydrophobicContact CG-CD1 4.3Å; Y206-Y238 HydrophobicContact CG-CE1 4.34Å
239	V	96.2	Very high	92.6	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.006	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	111.9	-174.8	-173.6	0	0	0	0	108.9	I171 I172 L174 I180 L200 T202	I171-V239 WeakPolarHBondContact CA-O 3.44Å; I172-V239 PolarHBondContact N-O 3.39Å; I172-V239 PolarHBondContact O-N 3.24Å; L174-V239 HydrophobicContact CD1-CG2 3.82Å; L174-V239 HydrophobicContact CD2-CG2 4.11Å; L174-V239 HydrophobicContact CG-CG2 3.94Å; I180-V239 HydrophobicContact CD1-CG2 3.67Å; L200-V239 HydrophobicContact CD1-CG1 3.43Å; L200-V239 VanDerWaalsContact CD1-CG1 3.43Å; L200-V239 HydrophobicContact CG-CG1 4.07Å; T202-V239 HydrophobicContact CG2-CB 4.35Å; T202-V239 HydrophobicContact CG2-CG1 4.2Å; T202-V239 HydrophobicContact CG2-CG2 4.04Å
240	K	95.8	Very high	92.6	Very high	43 Å²	43	52.1 Å²	52.1	19%	0.187	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	122.5	172.5	-169	178.2	-168.2	-158.6	0	109.5	F170 I171 V201 W211 E242	F170-K240 WeakPolarHBondContact O-CA 3.46Å; I171-K240 HydrophobicContact CD1-CD 4.4Å; I171-K240 HydrophobicContact CD1-CG 4.47Å; I171-K240 HydrophobicContact CG1-CB 3.99Å; I171-K240 HydrophobicContact CG1-CD 4.24Å; I171-K240 HydrophobicContact CG1-CG 3.78Å; V201-K240 HydrophobicContact CB-CB 4.5Å; V201-K240 PolarHBondContact N-O 3.27Å; V201-K240 WeakPolarHBondContact O-CA 3.45Å; V201-K240 WeakPolarHBondContact O-CB 3.31Å; V201-K240 PolarHBondContact O-N 3.31Å; W211-K240 HydrophobicContact CE3-CB 4.16Å; W211-K240 HydrophobicContact CH2-CB 4.28Å; W211-K240 HydrophobicContact CZ3-CB 3.69Å; K240-E242 HydrophobicContact CD-CG 4.26Å; K240-E242 WeakPolarHBondContact CD-OE1 3.29Å; K240-E242 WeakPolarHBondContact CE-OE1 3.44Å; K240-E242 HydrophobicContact CG-CG 4.13Å; K240-E242 IonicContact NZ-OE1 2.64Å; K240-E242 PolarHBondContact NZ-OE1 2.97Å
241	V	95.8	Very high	92.6	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.012	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	132.6	170	-173.2	0	0	0	0	107.7	W169 F170 F198 L200 L243	W169-V241 WeakPolarHBondContact CA-O 3.27Å; W169-V241 WeakPolarHBondContact CB-O 3.38Å; F170-V241 HydrophobicContact CD1-CB 4.41Å; F170-V241 HydrophobicContact CD2-CB 4.21Å; F170-V241 HydrophobicContact CD2-CG2 4.24Å; F170-V241 HydrophobicContact CE1-CB 3.86Å; F170-V241 HydrophobicContact CE1-CG1 4.04Å; F170-V241 HydrophobicContact CE2-CB 3.62Å; F170-V241 HydrophobicContact CE2-CG1 4.37Å; F170-V241 HydrophobicContact CE2-CG2 3.45Å; F170-V241 VanDerWaalsContact CE2-CG2 3.45Å; F170-V241 HydrophobicContact CZ-CB 3.43Å; F170-V241 VanDerWaalsContact CZ-CB 3.43Å; F170-V241 HydrophobicContact CZ-CG1 3.71Å; F170-V241 HydrophobicContact CZ-CG2 3.65Å; F170-V241 PolarHBondContact N-O 3.23Å; F170-V241 PolarHBondContact O-N 2.81Å; F198-V241 HydrophobicContact CD2-CG1 4.46Å; L200-V241 HydrophobicContact CD1-CG2 3.75Å; V241-L243 HydrophobicContact CG1-CD2 4.31Å
242	E	95.2	Very high	92.8	Very high	17 Å²	17	57.4 Å²	57.4	8%	0.079	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	124.7	174.3	-49.5	-168.1	165.3	0	0	110.2	K168 W169 F198 R199 K240	K168-E242 WeakPolarHBondContact O-CA 3.31Å; W169-E242 HydrophobicContact CB-CB 4.26Å; W169-E242 HydrophobicContact CB-CG 3.84Å; F198-E242 CarbonylContact C-O 3.54Å; F198-E242 VanDerWaalsContact CA-O 3.23Å; F198-E242 WeakPolarHBondContact CA-O 3.26Å; F198-E242 WeakPolarHBondContact CB-O 3.2Å; R199-E242 HydrophobicContact CG-CB 3.94Å; R199-E242 HydrophobicContact CG-CG 4.46Å; R199-E242 IonicContact CZ-OE2 3.16Å; R199-E242 PolarHBondContact N-O 3.25Å; R199-E242 IonicContact NE-OE2 2.77Å; R199-E242 PolarHBondContact NE-OE2 3.5Å; R199-E242 IonicContact NH2-OE2 2.71Å; R199-E242 PolarHBondContact NH2-OE2 3.42Å; R199-E242 PolarHBondContact O-N 2.85Å; K240-E242 HydrophobicContact CD-CG 4.26Å; K240-E242 WeakPolarHBondContact CD-OE1 3.29Å; K240-E242 WeakPolarHBondContact CE-OE1 3.44Å; K240-E242 HydrophobicContact CG-CG 4.13Å; K240-E242 IonicContact NZ-OE1 2.64Å; K240-E242 PolarHBondContact NZ-OE1 2.97Å
243	L	94.4	Very high	93.3	Very high	13 Å²	13	55.9 Å²	55.9	7%	0.068	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	111.6	177.7	-54	-178.6	0	0	0	108.7	K168 P195 F198 V241	K168-L243 HydrophobicContact CB-CB 4.11Å; K168-L243 PolarHBondContact O-N 2.81Å; P195-L243 HydrophobicContact CB-CD2 4.02Å; F198-L243 HydrophobicContact CB-CD2 3.8Å; V241-L243 HydrophobicContact CG1-CD2 4.31Å
244	L	93.7	Very high	93.6	Very high	73 Å²	73	47.9 Å²	47.9	38%	0.382	25%	0.25	S	C	.	.			trans	-87.7	-40	-172.7	-56.8	176	0	0	0	111.5	E197 R199 E216	E197-L244 HydrophobicContact CB-CB 3.91Å; E197-L244 HydrophobicContact CB-CD1 4.27Å; E197-L244 PolarHBondContact O-N 3.02Å; R199-L244 HydrophobicContact CB-CD1 4.26Å; R199-L244 HydrophobicContact CG-CD1 4.13Å; R199-L244 HydrophobicContact CG-CD2 4.17Å; R199-L244 HydrophobicContact CG-CG 4.31Å; E216-L244 VanDerWaalsContact CD-CD1 3.41Å; E216-L244 HydrophobicContact CG-CD1 4.06Å; E216-L244 WeakPolarHBondContact OE1-CD1 3.22Å; E216-L244 WeakPolarHBondContact OE2-CD1 3.14Å
245	S	93.6	Very high	93.7	Very high	31 Å²	31	44.5 Å²	44.5	22%	0.217	23%	0.232	C	C	.	.			trans	-145.6	172.9	179.9	74.5	0	0	0	0	112.3	K196 E197	K196-S245 VanDerWaalsContact CB-OG 3.29Å; K196-S245 WeakPolarHBondContact CB-OG 3.42Å; K196-S245 WeakPolarHBondContact CG-OG 3.32Å; K196-S245 PolarHBondContact N-O 2.83Å; E197-S245 WeakPolarHBondContact CB-OG 3.4Å; E197-S245 PolarHBondContact N-OG 3.06Å; E197-S245 PolarHBondContact O-N 2.89Å; E197-S245 WeakPolarHBondContact OE2-CB 3.13Å; E197-S245 PolarHBondContact OE2-OG 2.92Å
246	H	93.8	Very high	93.6	Very high	60 Å²	60	42.2 Å²	42.2	28%	0.278	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-141.7	160.4	-178.1	57.9	-81.3	0	0	0	112.7	S194 C253	S194-H246 CarbonylContact O-C 3.43Å; S194-H246 WeakPolarHBondContact O-CA 3.36Å; S194-H246 VanDerWaalsContact O-CB 3.27Å; S194-H246 WeakPolarHBondContact O-CB 3.23Å; H246-C253 VanDerWaalsContact CB-SG 3.56Å; H246-C253 VanDerWaalsContact CG-SG 3.5Å
247	Y	93.7	Very high	93.4	Very high	71 Å²	71	42.5 Å²	42.5	28%	0.278	23%	0.227	S	C	.	.	S	Bend	trans	-95.1	159.9	165.8	-64.8	-79.8	0	0	0	110.7	S193 S194 K196 A219 D221	S193-Y247 WeakPolarHBondContact CA-O 3.25Å; S193-Y247 WeakPolarHBondContact CB-O 3.33Å; S193-Y247 PolarHBondContact OG-O 2.95Å; S194-Y247 PolarHBondContact N-O 3.37Å; S194-Y247 PolarHBondContact O-N 2.99Å; K196-Y247 HydrophobicContact CB-CD2 3.63Å; K196-Y247 HydrophobicContact CB-CE2 3.51Å; K196-Y247 HydrophobicContact CB-CG 4.23Å; K196-Y247 HydrophobicContact CD-CD1 4.18Å; K196-Y247 HydrophobicContact CD-CE1 3.86Å; K196-Y247 HydrophobicContact CD-CE2 4.28Å; K196-Y247 HydrophobicContact CG-CD2 4.18Å; K196-Y247 HydrophobicContact CG-CE1 4.1Å; K196-Y247 HydrophobicContact CG-CE2 3.66Å; A219-Y247 WeakPolarHBondContact O-CE2 3.11Å; A219-Y247 PolarHBondContact O-OH 3.27Å; D221-Y247 HydrophobicContact CB-CD1 4.3Å; D221-Y247 HydrophobicContact CB-CD2 3.82Å; D221-Y247 HydrophobicContact CB-CE2 4.09Å; D221-Y247 HydrophobicContact CB-CG 3.93Å
248	G	91.2	Very high	93.3	Very high	60 Å²	60	40.1 Å²	40.1	62%	0.619	22%	0.216	S	C	*	.	S	Bend	trans	73.3	-178.4	-177	0	0	0	0	0	113.3
249	S	91	Very high	93.1	Very high	88 Å²	88	39.7 Å²	39.7	62%	0.615	22%	0.215	S	C	*	.			trans	-128.8	13.4	-177.8	56.7	0	0	0	0	113.5	K163	K163-S249 WeakPolarHBondContact CE-O 3.39Å; K163-S249 PolarHBondContact NZ-O 2.83Å
250	E	92	Very high	93	Very high	92 Å²	92	39.7 Å²	39.7	43%	0.43	21%	0.214	S	C	.	.			trans	-65.2	161	-177	-62.4	-60.4	164.7	0	0	112.1	C162 S193 F252	C162-E250 PolarHBondContact SG-O 3.19Å; S193-E250 PolarHBondContact OG-N 3.35Å; E250-F252 VanDerWaalsContact C-N 3.32Å; E250-F252 PolarHBondContact O-N 3.46Å
251	H	91.3	Very high	92.8	Very high	131 Å²	131	38.1 Å²	38.1	61%	0.606	21%	0.208	S	C	*	.	S	Bend	trans	-70.2	-29.6	-178.3	-74.1	-97.8	0	0	0	113	P161 C162	P161-H251 WeakPolarHBondContact CA-O 3.43Å; C162-H251 PolarHBondContact N-O 3.09Å
252	F	92.1	Very high	92.6	Very high	97 Å²	97	38 Å²	38	43%	0.425	21%	0.207	S	C	.	.	B	Isolated β-bridge	trans	-119.1	139.7	-175.5	-63.8	-71.2	0	0	0	112.8	L159 N160 C162 S193 E250 P254	L159-F252 HydrophobicContact CD2-CB 3.72Å; L159-F252 HydrophobicContact CD2-CD1 3.82Å; L159-F252 HydrophobicContact CD2-CD2 4.38Å; L159-F252 HydrophobicContact CD2-CG 3.72Å; N160-F252 WeakPolarHBondContact O-CA 3.29Å; C162-F252 PolarHBondContact SG-O 2.91Å; S193-F252 PolarHBondContact N-O 3.47Å; S193-F252 VanDerWaalsContact N-O 3.13Å; E250-F252 VanDerWaalsContact C-N 3.32Å; E250-F252 PolarHBondContact O-N 3.46Å; F252-P254 WeakPolarHBondContact O-CD 3.5Å
253	C	93.5	Very high	92.3	Very high	7 Å²	7	39.6 Å²	39.6	5%	0.047	22%	0.216	C	C	.	.			trans	-114.5	73.7	177.7	-79.9	0	0	0	0	107.7	N160 C162 S193 H246	N160-C253 PolarHBondContact O-N 3.39Å; C162-C253 VanDerWaalsContact CA-SG 3.54Å; C162-C253 HydrophobicContact CB-CB 4.25Å; C162-C253 WeakPolarHBondContact CB-SG 3.3Å; C162-C253 WeakPolarHBondContact SG-CA 3.27Å; C162-C253 WeakPolarHBondContact SG-CB 3.27Å; C162-C253 PolarHBondContact SG-N 2.89Å; C162-C253 CovalentContact SG-SG 2.04Å; C162-C253 PolarHBondContact SG-SG 3.15Å; S193-C253 VanDerWaalsContact CB-SG 3.55Å; H246-C253 VanDerWaalsContact CB-SG 3.56Å; H246-C253 VanDerWaalsContact CG-SG 3.5Å
254	P	92.5	Very high	92.1	Very high	2 Å²	2	39 Å²	39	1%	0.013	21%	0.213	C	C	.	.			trans	-78.4	161.6	-175.5	33.6	-35.1	0	0	0	111.9	Y157 M158 L159 N187 E189 S192 F252	Y157-P254 HydrophobicContact CD2-CB 3.57Å; Y157-P254 HydrophobicContact CE2-CB 3.9Å; Y157-P254 HydrophobicContact CG-CB 4.36Å; M158-P254 CarbonylContact O-C 3.51Å; M158-P254 WeakPolarHBondContact O-CA 3.16Å; M158-P254 VanDerWaalsContact O-CB 3.3Å; M158-P254 WeakPolarHBondContact O-CB 3.47Å; L159-P254 HydrophobicContact CD2-CB 4.27Å; N187-P254 PolarHBondContact ND2-O 3.47Å; E189-P254 HydrophobicContact CB-CG 3.98Å; E189-P254 HydrophobicContact CG-CG 4.29Å; S192-P254 VanDerWaalsContact CB-CG 3.41Å; S192-P254 VanDerWaalsContact OG-CG 3.26Å; S192-P254 WeakPolarHBondContact OG-CG 3.29Å; F252-P254 WeakPolarHBondContact O-CD 3.5Å
255	L	92.4	Very high	91.6	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-138.7	131.1	173.4	-165.1	70.9	0	0	0	109.4	L127 Y157 M158 F170 M185 P195 V258	L127-L255 HydrophobicContact CD2-CB 3.79Å; L127-L255 HydrophobicContact CD2-CD2 3.89Å; L127-L255 HydrophobicContact CD2-CG 3.81Å; L127-L255 WeakPolarHBondContact CD2-O 3.47Å; Y157-L255 WeakPolarHBondContact CB-O 3.46Å; M158-L255 HydrophobicContact CE-CB 4.17Å; M158-L255 PolarHBondContact N-O 3.36Å; M158-L255 PolarHBondContact O-N 2.89Å; F170-L255 HydrophobicContact CE1-CD2 3.73Å; F170-L255 HydrophobicContact CZ-CD2 3.57Å; M185-L255 HydrophobicContact CG-CD1 3.68Å; M185-L255 HydrophobicContact CG-CD2 4.19Å; M185-L255 HydrophobicContact CG-CG 4.33Å; M185-L255 HydrophobicContact SD-CD1 3.86Å; M185-L255 HydrophobicContact SD-CD2 3.88Å; M185-L255 HydrophobicContact SD-CG 4.47Å; P195-L255 HydrophobicContact CG-CD1 4.16Å; L255-V258 HydrophobicContact CD2-CG2 3.85Å
256	S	90.3	Very high	91.1	Very high	17 Å²	17	41.4 Å²	41.4	12%	0.119	23%	0.225	C	C	.	.			trans	-110	-21.8	-165.1	-43	0	0	0	0	113.9	A186 F188	A186-S256 PolarHBondContact O-N 3.41Å; F188-S256 PolarHBondContact N-OG 2.83Å
257	L	89.7	Confident	90.6	Very high	7 Å²	7	40.2 Å²	40.2	4%	0.037	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	136.5	179.9	-178.5	68.4	0	0	0	110.8	M185 A186 F188 I225 R259	M185-L257 WeakPolarHBondContact CA-O 3.34Å; A186-L257 HydrophobicContact CB-CB 4.23Å; A186-L257 PolarHBondContact N-O 2.94Å; A186-L257 PolarHBondContact O-N 3.21Å; F188-L257 HydrophobicContact CE2-CB 4Å; F188-L257 HydrophobicContact CZ-CD2 4.41Å; I225-L257 HydrophobicContact CD1-CD2 3.83Å; I225-L257 HydrophobicContact CG1-CD2 4.13Å; L257-R259 HydrophobicContact CD1-CG 3.96Å; L257-R259 HydrophobicContact CD2-CG 4.09Å; L257-R259 HydrophobicContact CG-CG 3.96Å
258	V	93.4	Very high	90.1	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	136.5	160	179.5	0	0	0	0	108.7	L127 F170 I172 E184 M185 L255	L127-V258 HydrophobicContact CD2-CG2 4.4Å; L127-V258 PolarHBondContact O-N 3.49Å; F170-V258 HydrophobicContact CE2-CG2 4.03Å; F170-V258 HydrophobicContact CZ-CG2 3.89Å; I172-V258 HydrophobicContact CD1-CB 4.25Å; I172-V258 HydrophobicContact CD1-CG1 3.8Å; E184-V258 CarbonylContact O-C 3.55Å; E184-V258 WeakPolarHBondContact O-CA 3.47Å; M185-V258 HydrophobicContact CG-CG2 4.41Å; L255-V258 HydrophobicContact CD2-CG2 3.85Å
259	R	92.8	Very high	89.7	Confident	20 Å²	20	43.8 Å²	43.8	8%	0.075	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	142.2	170.5	-50.4	-159.9	-71.9	-140.6	-0.5	110	N104 R132 V183 E184 L257	N104-R259 HydrophobicContact CB-CB 4.36Å; N104-R259 WeakPolarHBondContact ND2-CG 3.27Å; N104-R259 VanDerWaalsContact OD1-CA 3.25Å; N104-R259 WeakPolarHBondContact OD1-CA 3.35Å; N104-R259 WeakPolarHBondContact OD1-CB 3.39Å; R132-R259 PolarHBondContact O-NH1 3.47Å; V183-R259 WeakPolarHBondContact CA-O 3.34Å; E184-R259 HydrophobicContact CB-CB 4.19Å; E184-R259 PolarHBondContact N-O 2.88Å; E184-R259 PolarHBondContact O-N 3.34Å; E184-R259 IonicContact OE2-CZ 3.14Å; E184-R259 IonicContact OE2-NE 2.65Å; E184-R259 PolarHBondContact OE2-NE 3.29Å; E184-R259 IonicContact OE2-NH2 2.68Å; E184-R259 PolarHBondContact OE2-NH2 3.14Å; L257-R259 HydrophobicContact CD1-CG 3.96Å; L257-R259 HydrophobicContact CD2-CG 4.09Å; L257-R259 HydrophobicContact CG-CG 3.96Å
260	V	94.3	Very high	89.3	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	116.5	177.2	177.8	0	0	0	0	107.6	N104 Y105 A106 L174 I180 V183	N104-V260 WeakPolarHBondContact CA-O 3.41Å; N104-V260 PolarHBondContact OD1-N 2.91Å; N104-V260 PolarHBondContact OD1-O 2.98Å; Y105-V260 PolarHBondContact N-O 3.33Å; A106-V260 HydrophobicContact CB-CB 3.95Å; A106-V260 HydrophobicContact CB-CG2 3.75Å; L174-V260 HydrophobicContact CD1-CG1 4.07Å; L174-V260 HydrophobicContact CD2-CB 3.92Å; L174-V260 HydrophobicContact CD2-CG1 4.03Å; L174-V260 HydrophobicContact CD2-CG2 4.03Å; I180-V260 HydrophobicContact CB-CG1 4.39Å; I180-V260 HydrophobicContact CD1-CG1 3.67Å; I180-V260 HydrophobicContact CG1-CG1 3.67Å; I180-V260 HydrophobicContact CG2-CG1 3.94Å; V183-V260 HydrophobicContact CG2-CG2 4.33Å
261	L	92.6	Very high	88.7	Confident	10 Å²	10	42.1 Å²	42.1	5%	0.052	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	147.2	-179.8	-50.8	179.8	0	0	0	109.3	R103 N104 S181 C182 E184	R103-L261 VanDerWaalsContact O-CD2 3.31Å; R103-L261 WeakPolarHBondContact O-CD2 3.43Å; N104-L261 HydrophobicContact CB-CD2 4.37Å; S181-L261 PolarHBondContact N-O 2.9Å; S181-L261 PolarHBondContact OG-O 2.97Å; C182-L261 HydrophobicContact CB-CB 4.24Å; C182-L261 HydrophobicContact CB-CD1 4.36Å; C182-L261 PolarHBondContact N-O 3.11Å; C182-L261 WeakPolarHBondContact O-CA 3.28Å; C182-L261 WeakPolarHBondContact O-CB 3.47Å; C182-L261 PolarHBondContact O-N 3.02Å; E184-L261 HydrophobicContact CG-CD1 4.2Å; E184-L261 WeakPolarHBondContact OE1-CD1 3.47Å
262	G	90.7	Very high	88.1	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.9	-161.9	-174.5	0	0	0	0	0	111.3	Q179 S181	Q179-G262 WeakPolarHBondContact O-CA 3.36Å; S181-G262 WeakPolarHBondContact OG-CA 3.32Å
263	I	88.3	Confident	87.5	Confident	50 Å²	50	37.9 Å²	37.9	26%	0.256	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	140.2	164.6	56.7	179.1	0	0	0	108.1	V178 Q179 E268	V178-I263 WeakPolarHBondContact CA-O 3.45Å; Q179-I263 HydrophobicContact CB-CG1 4.02Å; Q179-I263 PolarHBondContact N-O 2.92Å; Q179-I263 PolarHBondContact O-N 3.3Å; I263-E268 HydrophobicContact CD1-CB 4.44Å
264	S	91.7	Very high	86.6	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.014	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	156.3	172.6	96.5	0	0	0	0	111.4	E176 T177 V266 E267 E268	E176-S264 WeakPolarHBondContact OE2-CB 3.31Å; E176-S264 PolarHBondContact OE2-OG 3.07Å; T177-S264 WeakPolarHBondContact O-CA 3.33Å; S264-V266 PolarHBondContact O-N 3.11Å; S264-V266 VanDerWaalsContact O-N 3.15Å; S264-V266 PolarHBondContact OG-N 2.74Å; S264-E267 PolarHBondContact N-OE2 3.36Å; S264-E267 WeakPolarHBondContact O-CB 3.49Å; S264-E267 PolarHBondContact O-N 3.32Å; S264-E267 PolarHBondContact OG-N 3.48Å; S264-E268 PolarHBondContact O-N 3.03Å
265	M	83.4	Confident	85.6	Confident	73 Å²	73	48.1 Å²	48.1	36%	0.36	24%	0.243	S	C	.	.	H	α-helix	trans	-59.2	-27.6	-179.7	-169	-176.7	73.9	0	0	112.2	T177 Y235 Y269	T177-M265 PolarHBondContact O-N 3.3Å; Y235-M265 HydrophobicContact CD1-CB 4.16Å; Y235-M265 HydrophobicContact CE1-CB 3.74Å; Y235-M265 HydrophobicContact CE1-CG 4.33Å; M265-Y269 HydrophobicContact CE-CE2 4.34Å; M265-Y269 HydrophobicContact CG-CD2 4.36Å; M265-Y269 HydrophobicContact CG-CE2 3.84Å; M265-Y269 WeakPolarHBondContact O-CD2 3.19Å; M265-Y269 PolarHBondContact O-N 3.18Å; M265-Y269 HydrophobicContact SD-CE2 4.4Å
266	V	82.6	Confident	84.2	Confident	80 Å²	80	55.4 Å²	55.4	49%	0.485	28%	0.276	S	S	.	.	H	α-helix	trans	-74.4	-42.2	174.4	-177.4	0	0	0	0	110.8	S264 E268 Y269 E270	S264-V266 PolarHBondContact O-N 3.11Å; S264-V266 VanDerWaalsContact O-N 3.15Å; S264-V266 PolarHBondContact OG-N 2.74Å; V266-E268 VanDerWaalsContact C-N 3.29Å; V266-E268 PolarHBondContact O-N 3.46Å; V266-Y269 PolarHBondContact O-N 3.25Å; V266-E270 HydrophobicContact CG1-CG 4.44Å; V266-E270 WeakPolarHBondContact O-CG 3.43Å; V266-E270 PolarHBondContact O-N 3.28Å
267	E	83.7	Confident	82.6	Confident	35 Å²	35	62.5 Å²	62.5	16%	0.164	31%	0.308	C	S	.	.	H	α-helix	trans	-63.4	-33.4	177.2	-65.9	172.6	166.2	0	0	112.3	I100 R103 Y105 S264 A271	I100-E267 HydrophobicContact CG2-CB 4.38Å; I100-E267 HydrophobicContact CG2-CG 4.35Å; I100-E267 WeakPolarHBondContact CG2-OE2 3.36Å; R103-E267 IonicContact NH1-OE1 3.7Å; Y105-E267 PolarHBondContact OH-OE1 3.44Å; Y105-E267 PolarHBondContact OH-OE2 3.28Å; S264-E267 PolarHBondContact N-OE2 3.36Å; S264-E267 WeakPolarHBondContact O-CB 3.49Å; S264-E267 PolarHBondContact O-N 3.32Å; S264-E267 PolarHBondContact OG-N 3.48Å; E267-A271 VanDerWaalsContact O-CB 3.23Å; E267-A271 WeakPolarHBondContact O-CB 3.44Å; E267-A271 PolarHBondContact O-N 3.1Å
268	E	83.1	Confident	80.8	Confident	60 Å²	60	66.2 Å²	66.2	28%	0.28	33%	0.334	S	S	.	.	H	α-helix	trans	-66.2	-50	171.8	-175.1	160.1	-117.5	0	0	111.4	Y235 I263 S264 V266 E270 A271 E272	Y235-E268 WeakPolarHBondContact OH-CB 3.48Å; Y235-E268 PolarHBondContact OH-OE2 3.11Å; I263-E268 HydrophobicContact CD1-CB 4.44Å; S264-E268 PolarHBondContact O-N 3.03Å; V266-E268 VanDerWaalsContact C-N 3.29Å; V266-E268 PolarHBondContact O-N 3.46Å; E268-E270 PolarHBondContact O-N 2.97Å; E268-A271 CarbonylContact O-C 3.58Å; E268-A271 WeakPolarHBondContact O-CA 3.25Å; E268-A271 WeakPolarHBondContact O-CB 3.37Å; E268-A271 PolarHBondContact O-N 2.75Å; E268-A271 VanDerWaalsContact O-N 3.12Å; E268-E272 HydrophobicContact CG-CG 4.49Å; E268-E272 WeakPolarHBondContact O-CG 3.47Å; E268-E272 PolarHBondContact O-N 3.04Å
269	Y	82.4	Confident	78.9	Confident	146 Å²	146	74.5 Å²	74.5	57%	0.573	37%	0.37	S	S	*	.	H	α-helix	trans	-61.8	-39.4	177.8	-71.6	-48	0	0	0	113.4	M265 V266 A271 E272 A273	M265-Y269 HydrophobicContact CE-CE2 4.34Å; M265-Y269 HydrophobicContact CG-CD2 4.36Å; M265-Y269 HydrophobicContact CG-CE2 3.84Å; M265-Y269 WeakPolarHBondContact O-CD2 3.19Å; M265-Y269 PolarHBondContact O-N 3.18Å; M265-Y269 HydrophobicContact SD-CE2 4.4Å; V266-Y269 PolarHBondContact O-N 3.25Å; Y269-A271 VanDerWaalsContact C-N 3.35Å; Y269-E272 PolarHBondContact O-N 3.3Å; Y269-A273 WeakPolarHBondContact O-CB 3.2Å; Y269-A273 PolarHBondContact O-N 3.3Å
270	E	82.2	Confident	76.7	Confident	119 Å²	119	77.5 Å²	77.5	56%	0.556	40%	0.399	S	S	*	.	H	α-helix	trans	-63.2	-41.8	173.3	-72.9	-177	-178.5	0	0	111.3	V266 E268 E272 M274	V266-E270 HydrophobicContact CG1-CG 4.44Å; V266-E270 WeakPolarHBondContact O-CG 3.43Å; V266-E270 PolarHBondContact O-N 3.28Å; E268-E270 PolarHBondContact O-N 2.97Å; E270-E272 VanDerWaalsContact C-N 3.32Å; E270-E272 PolarHBondContact O-N 3.24Å; E270-M274 WeakPolarHBondContact O-CE 3.34Å; E270-M274 WeakPolarHBondContact O-CG 3.28Å; E270-M274 PolarHBondContact O-N 3.08Å
271	A	79.3	Confident	73.9	Confident	26 Å²	26	81.5 Å²	81.5	22%	0.215	43%	0.427	C	S	.	.	H	α-helix	trans	-67.4	-27.8	175.1	0	0	0	0	0	113.5	E267 E268 Y269 K275	E267-A271 VanDerWaalsContact O-CB 3.23Å; E267-A271 WeakPolarHBondContact O-CB 3.44Å; E267-A271 PolarHBondContact O-N 3.1Å; E268-A271 CarbonylContact O-C 3.58Å; E268-A271 WeakPolarHBondContact O-CA 3.25Å; E268-A271 WeakPolarHBondContact O-CB 3.37Å; E268-A271 PolarHBondContact O-N 2.75Å; E268-A271 VanDerWaalsContact O-N 3.12Å; Y269-A271 VanDerWaalsContact C-N 3.35Å; A271-K275 WeakPolarHBondContact O-CD 2.97Å; A271-K275 WeakPolarHBondContact O-CE 3.3Å; A271-K275 VanDerWaalsContact O-CG 3.25Å; A271-K275 WeakPolarHBondContact O-CG 3.38Å
272	E	79.2	Confident	71.1	Confident	85 Å²	85	86.4 Å²	86.4	40%	0.397	46%	0.46	S	S	.	.	H	α-helix	trans	-80.8	-39.2	174.8	-70.9	-167.5	147.8	0	0	113.1	E268 Y269 E270 M274 K275 H276	E268-E272 HydrophobicContact CG-CG 4.49Å; E268-E272 WeakPolarHBondContact O-CG 3.47Å; E268-E272 PolarHBondContact O-N 3.04Å; Y269-E272 PolarHBondContact O-N 3.3Å; E270-E272 VanDerWaalsContact C-N 3.32Å; E270-E272 PolarHBondContact O-N 3.24Å; E272-M274 VanDerWaalsContact C-N 3.34Å; E272-M274 PolarHBondContact O-N 2.96Å; E272-K275 WeakPolarHBondContact O-CB 3.36Å; E272-K275 PolarHBondContact O-N 3.31Å; E272-H276 PolarHBondContact O-N 3.2Å
273	A	79.5	Confident	68.8	Low	55 Å²	55	95 Å²	95	46%	0.455	50%	0.504	S	S	.	.	H	α-helix	trans	-57.2	-47.6	172.9	0	0	0	0	0	111.2	Y269 K275 H276 E277	Y269-A273 WeakPolarHBondContact O-CB 3.2Å; Y269-A273 PolarHBondContact O-N 3.3Å; A273-K275 PolarHBondContact O-N 3.06Å; A273-H276 PolarHBondContact O-N 2.88Å; A273-H276 VanDerWaalsContact O-N 3.15Å; A273-E277 PolarHBondContact O-N 3.48Å; A273-E277 VanDerWaalsContact O-N 3.15Å
274	M	75	Confident	66.1	Low	127 Å²	127	103.8 Å²	103.8	63%	0.626	53%	0.534	S	S	*	.	H	α-helix	trans	-61.3	-26.7	175.4	-72.4	-171.8	-79.6	0	0	113.7	E270 E272	E270-M274 WeakPolarHBondContact O-CE 3.34Å; E270-M274 WeakPolarHBondContact O-CG 3.28Å; E270-M274 PolarHBondContact O-N 3.08Å; E272-M274 VanDerWaalsContact C-N 3.34Å; E272-M274 PolarHBondContact O-N 2.96Å
275	K	71.5	Confident	63.5	Low	96 Å²	96	111.3 Å²	111.3	42%	0.417	57%	0.569	S	S	.	*	H	α-helix	trans	-76.1	-45.1	172.7	-67.6	162.7	-159	157.4	0	111.2	A271 E272 A273 E277 S278	A271-K275 WeakPolarHBondContact O-CD 2.97Å; A271-K275 WeakPolarHBondContact O-CE 3.3Å; A271-K275 VanDerWaalsContact O-CG 3.25Å; A271-K275 WeakPolarHBondContact O-CG 3.38Å; E272-K275 WeakPolarHBondContact O-CB 3.36Å; E272-K275 PolarHBondContact O-N 3.31Å; A273-K275 PolarHBondContact O-N 3.06Å; K275-E277 PolarHBondContact O-N 3.43Å; K275-S278 WeakPolarHBondContact O-CB 3.43Å; K275-S278 PolarHBondContact O-N 2.94Å; K275-S278 PolarHBondContact O-OG 3.42Å
276	H	61.6	Low	61.2	Low	154 Å²	154	115.3 Å²	115.3	71%	0.713	59%	0.587	S	S	*	*	H	α-helix	trans	-63.9	-37.9	-176.8	-95.5	-83.7	0	0	0	113.3	E272 A273 S278 F279	E272-H276 PolarHBondContact O-N 3.2Å; A273-H276 PolarHBondContact O-N 2.88Å; A273-H276 VanDerWaalsContact O-N 3.15Å; H276-S278 PolarHBondContact O-N 2.93Å; H276-F279 PolarHBondContact O-N 3.48Å
277	E	57.2	Low	59	Low	166 Å²	166	116.5 Å²	116.5	78%	0.776	60%	0.599	S	S	*	*	H	α-helix	trans	-62.9	-25.2	174	-67.6	-172.9	156.9	0	0	113	A273 K275	A273-E277 PolarHBondContact O-N 3.48Å; A273-E277 VanDerWaalsContact O-N 3.15Å; K275-E277 PolarHBondContact O-N 3.43Å
278	S	52.6	Low	56.5	Low	85 Å²	85	117 Å²	117	59%	0.594	61%	0.612	S	S	*	*	H	α-helix	trans	-79.1	-21.9	-178.6	78.4	0	0	0	0	114.7	K275 H276	K275-S278 WeakPolarHBondContact O-CB 3.43Å; K275-S278 PolarHBondContact O-N 2.94Å; K275-S278 PolarHBondContact O-OG 3.42Å; H276-S278 PolarHBondContact O-N 2.93Å
279	F	53.4	Low	54.2	Low	175 Å²	175	117.3 Å²	117.3	77%	0.768	63%	0.626	S	S	*	*	H	α-helix	trans	-97.4	-7.8	-171.5	-101.7	-92.2	0	0	0	115.4	H276 S281	H276-F279 PolarHBondContact O-N 3.48Å; F279-S281 PolarHBondContact O-N 2.98Å
280	A	46.7	Very low	51.8	Low	83 Å²	83	115.7 Å²	115.7	69%	0.686	63%	0.631	S	S	*	*			trans	-76.9	43.3	-172.5	0	0	0	0	0	115
281	S	34.7	Very low	49.7	Very low	84 Å²	84	117 Å²	117	59%	0.587	64%	0.641	S	S	*	*			trans	-159.9	86.7	178.6	-66.4	0	0	0	0	115	F279	F279-S281 PolarHBondContact O-N 2.98Å
282	P	34.7	Very low	47.4	Very low	113 Å²	113	120.5 Å²	120.5	73%	0.734	66%	0.664	S	S	*	*			trans	-142.3	117.8	149.1	34.8	-18.1	0	0	0	115.1
283	I	42.1	Very low	45.1	Very low	180 Å²	180	123.5 Å²	123.5	92%	0.923	68%	0.683	S	S	*	*			trans	-172.3	149.8	144.1	-97.4	152	0	0	0	106.9
284	R	32.5	Very low	42.9	Very low	236 Å²	236	124.7 Å²	124.7	89%	0.891	69%	0.688	S	S	*	*			trans	-149.9	103	-164.6	175.4	-165	165.5	-177.6	-4.9	112.6
285	E	35.9	Very low	40.9	Very low	160 Å²	160	126.1 Å²	126.1	75%	0.748	70%	0.698	S	S	*	*			trans	-166.3	160.2	168.8	-106.1	151.1	-152.6	0	0	108.7
286	Q	34.7	Very low	39.1	Very low	157 Å²	157	130.7 Å²	130.7	73%	0.734	72%	0.721	S	S	*	*			cis	-162.4	165.4	-43.6	-117.6	-172.3	95.6	0	0	108.8
287	S	36.4	Very low	38	Very low	105 Å²	105	131.8 Å²	131.8	73%	0.734	73%	0.726	S	S	*	*			trans	69.1	177.4	-175.4	87.1	0	0	0	0	116	S522	S287-S522 PolarHBondContact OG-OG 3.04Å; S287-S522 VanDerWaalsContact OG-OG 3.09Å
288	G	31.8	Very low	37	Very low	44 Å²	44	133.2 Å²	133.2	45%	0.454	73%	0.73	S	S	.	*			trans	-179.9	177.7	177.9	0	0	0	0	0	113.2	S522	G288-S522 VanDerWaalsContact CA-O 3.29Å; G288-S522 WeakPolarHBondContact CA-O 3.27Å; G288-S522 VanDerWaalsContact CA-OG 3.29Å; G288-S522 WeakPolarHBondContact CA-OG 3.28Å; G288-S522 PolarHBondContact N-OG 3.18Å
289	A	34.9	Very low	36.4	Very low	68 Å²	68	134 Å²	134	56%	0.562	74%	0.735	S	S	*	*			trans	167.5	102.7	151.1	0	0	0	0	0	115.4	A523	A289-A523 VanDerWaalsContact O-CB 3.27Å; A289-A523 WeakPolarHBondContact O-CB 3.25Å
290	T	32.7	Very low	35.9	Very low	112 Å²	112	129.8 Å²	129.8	69%	0.687	73%	0.728	S	S	*	*			trans	73	161.2	130.5	-39.4	0	0	0	0	121.7
291	L	36.8	Very low	36.1	Very low	147 Å²	147	127.8 Å²	127.8	77%	0.77	71%	0.711	S	S	*	*			trans	74.1	116.9	179.6	-51.6	175.3	0	0	0	114
292	S	31.7	Very low	36.9	Very low	98 Å²	98	130.9 Å²	130.9	69%	0.685	71%	0.714	S	S	*	*				62.9	120	56.8	78.2	0	0	0	0	112.1
293	D	30.7	Very low	38.2	Very low	148 Å²	148	127 Å²	127	79%	0.791	69%	0.694	S	S	*	*			cis	-138.9	-156	14.3	-161.6	47.5	0	0	0	109.7
294	S	33.1	Very low	39.4	Very low	81 Å²	81	125.1 Å²	125.1	57%	0.566	68%	0.677	S	S	*	*			cis	-155.2	-169.4	11.9	-70.3	0	0	0	0	112.4
295	D	33.8	Very low	41.2	Very low	157 Å²	157	119 Å²	119	84%	0.84	66%	0.661	S	S	*	*			trans	86.1	98.5	151.1	-59.3	-31	0	0	0	121.1	Q297	D295-Q297 PolarHBondContact O-N 3.31Å
296	E	33.4	Very low	43	Very low	192 Å²	192	117.2 Å²	117.2	90%	0.897	66%	0.656	S	S	*	*			trans	-63.1	103.4	163.6	-56.7	173.6	88	0	0	113.1
297	Q	37.5	Very low	44.9	Very low	177 Å²	177	114.2 Å²	114.2	83%	0.827	65%	0.645	S	S	*	*			trans	-149.9	-9.3	165.1	-117.2	164.4	40.1	0	0	117.7	D295	D295-Q297 PolarHBondContact O-N 3.31Å
298	K	37.4	Very low	46.9	Very low	195 Å²	195	113.3 Å²	113.3	85%	0.848	64%	0.635	S	S	*	*	S	Bend	trans	-99	-0.9	-173.6	-80.2	177.3	176.5	169.6	0	116.7
299	S	38.5	Very low	48.8	Very low	101 Å²	101	113.7 Å²	113.7	71%	0.706	63%	0.634	S	S	*	*	H	α-helix	trans	-74.4	-47.4	177	53.3	0	0	0	0	112.6	A301 K302 G303	S299-A301 PolarHBondContact O-N 2.97Å; S299-A301 VanDerWaalsContact O-N 3.15Å; S299-K302 PolarHBondContact O-N 2.83Å; S299-G303 PolarHBondContact O-N 3.04Å
300	S	44.2	Very low	51	Low	87 Å²	87	119.4 Å²	119.4	61%	0.608	64%	0.641	S	S	*	*	H	α-helix	trans	-54.5	-34.7	-178.7	-174.7	0	0	0	0	113.1	K302 G303 Y304	S300-K302 PolarHBondContact O-N 3.04Å; S300-G303 WeakPolarHBondContact O-CA 3.39Å; S300-G303 PolarHBondContact O-N 2.95Å; S300-Y304 PolarHBondContact O-N 3.32Å
301	A	50.7	Low	53.1	Low	42 Å²	42	118.7 Å²	118.7	35%	0.347	63%	0.633	S	S	.	*	H	α-helix	trans	-62.7	-36.3	-177.7	0	0	0	0	0	114.4	S299 Y304	S299-A301 PolarHBondContact O-N 2.97Å; S299-A301 VanDerWaalsContact O-N 3.15Å; A301-Y304 VanDerWaalsContact CA-CE1 3.46Å; A301-Y304 HydrophobicContact CB-CE1 4Å
302	K	51.7	Low	55	Low	148 Å²	148	115 Å²	115	64%	0.643	62%	0.617	S	S	*	*	H	α-helix	trans	-75.6	-28.4	171.7	-91	-176.5	171.3	-178.6	0	112.4	S299 S300 L306	S299-K302 PolarHBondContact O-N 2.83Å; S300-K302 PolarHBondContact O-N 3.04Å; K302-L306 WeakPolarHBondContact O-CB 3.17Å; K302-L306 WeakPolarHBondContact O-CG 3.32Å; K302-L306 PolarHBondContact O-N 2.91Å
303	G	61.9	Low	57.3	Low	31 Å²	31	115 Å²	115	32%	0.32	61%	0.612	S	S	.	*	H	α-helix	trans	-62.3	-55.5	176	0	0	0	0	0	112.4	S299 S300 L305 N307	S299-G303 PolarHBondContact O-N 3.04Å; S300-G303 WeakPolarHBondContact O-CA 3.39Å; S300-G303 PolarHBondContact O-N 2.95Å; G303-L305 PolarHBondContact O-N 2.98Å; G303-N307 WeakPolarHBondContact O-CB 3.28Å; G303-N307 PolarHBondContact O-N 3.16Å; G303-N307 VanDerWaalsContact O-N 3.09Å; G303-N307 PolarHBondContact O-ND2 3.38Å
304	Y	67.7	Low	59.9	Low	141 Å²	141	113.7 Å²	113.7	55%	0.553	60%	0.599	S	S	*	*	H	α-helix	trans	-60.9	-44.5	-177	73.5	-114.7	0	0	0	112	S300 A301 L306 N307 T308	S300-Y304 PolarHBondContact O-N 3.32Å; A301-Y304 VanDerWaalsContact CA-CE1 3.46Å; A301-Y304 HydrophobicContact CB-CE1 4Å; Y304-L306 PolarHBondContact O-N 2.85Å; Y304-N307 PolarHBondContact O-N 3.32Å; Y304-T308 PolarHBondContact O-N 2.99Å; Y304-T308 PolarHBondContact O-OG1 3.33Å; Y304-T308 VanDerWaalsContact O-OG1 3.08Å
305	L	69	Low	62	Low	109 Å²	109	113.1 Å²	113.1	57%	0.571	60%	0.595	S	S	*	*	H	α-helix	trans	-69.5	-39.5	-170.7	-137.6	168.3	0	0	0	111.7	G303 A309	G303-L305 PolarHBondContact O-N 2.98Å; L305-A309 WeakPolarHBondContact O-CB 3.42Å; L305-A309 PolarHBondContact O-N 2.93Å; L305-A309 VanDerWaalsContact O-N 3.12Å
306	L	74.3	Confident	64.1	Low	121 Å²	121	110.2 Å²	110.2	63%	0.634	58%	0.579	S	S	*	*	H	α-helix	trans	-69	-36.5	173.8	-68.9	173.5	0	0	0	112.3	K302 Y304 R310	K302-L306 WeakPolarHBondContact O-CB 3.17Å; K302-L306 WeakPolarHBondContact O-CG 3.32Å; K302-L306 PolarHBondContact O-N 2.91Å; Y304-L306 PolarHBondContact O-N 2.85Å; L306-R310 VanDerWaalsContact O-CB 3.31Å; L306-R310 WeakPolarHBondContact O-CB 3.39Å; L306-R310 PolarHBondContact O-N 3.42Å
307	N	74.8	Confident	66.1	Low	95 Å²	95	103.3 Å²	103.3	51%	0.508	56%	0.555	S	S	.	*	H	α-helix	trans	-67	-48.3	176.5	-70.6	-14	0	0	0	111.4	G303 Y304 A309 R310 D311	G303-N307 WeakPolarHBondContact O-CB 3.28Å; G303-N307 PolarHBondContact O-N 3.16Å; G303-N307 VanDerWaalsContact O-N 3.09Å; G303-N307 PolarHBondContact O-ND2 3.38Å; Y304-N307 PolarHBondContact O-N 3.32Å; N307-A309 VanDerWaalsContact C-N 3.32Å; N307-A309 PolarHBondContact O-N 3.45Å; N307-R310 WeakPolarHBondContact O-CB 3.46Å; N307-R310 PolarHBondContact O-N 2.87Å; N307-R310 VanDerWaalsContact O-N 3.1Å; N307-D311 PolarHBondContact O-N 3.41Å
308	T	77.3	Confident	68.1	Low	86 Å²	86	98.5 Å²	98.5	53%	0.528	53%	0.532	S	S	.	.	H	α-helix	trans	-59.1	-41.1	176.4	-55.5	0	0	0	0	112.1	Y304 T312	Y304-T308 PolarHBondContact O-N 2.99Å; Y304-T308 PolarHBondContact O-OG1 3.33Å; Y304-T308 VanDerWaalsContact O-OG1 3.08Å; T308-T312 WeakPolarHBondContact O-CB 3.46Å; T308-T312 PolarHBondContact O-N 2.88Å; T308-T312 PolarHBondContact O-OG1 3.02Å
309	A	72	Confident	69.9	Low	51 Å²	51	91.5 Å²	91.5	42%	0.421	51%	0.508	S	S	.	.	H	α-helix	trans	-62.7	-44.8	174.3	0	0	0	0	0	111.9	L305 N307 T312 V313	L305-A309 WeakPolarHBondContact O-CB 3.42Å; L305-A309 PolarHBondContact O-N 2.93Å; L305-A309 VanDerWaalsContact O-N 3.12Å; N307-A309 VanDerWaalsContact C-N 3.32Å; N307-A309 PolarHBondContact O-N 3.45Å; A309-T312 PolarHBondContact O-N 3.5Å; A309-V313 WeakPolarHBondContact O-CG2 3.18Å; A309-V313 PolarHBondContact O-N 3.08Å
310	R	80.9	Confident	71.7	Confident	188 Å²	188	90.9 Å²	90.9	71%	0.709	50%	0.5	S	S	*	.	H	α-helix	trans	-61.2	-45.4	178	-173.8	-176.5	-175	96.1	-0.1	112.4	L306 N307 V313 K314	L306-R310 VanDerWaalsContact O-CB 3.31Å; L306-R310 WeakPolarHBondContact O-CB 3.39Å; L306-R310 PolarHBondContact O-N 3.42Å; N307-R310 WeakPolarHBondContact O-CB 3.46Å; N307-R310 PolarHBondContact O-N 2.87Å; N307-R310 VanDerWaalsContact O-N 3.1Å; R310-V313 PolarHBondContact O-N 3.32Å; R310-K314 WeakPolarHBondContact O-CB 3.44Å; R310-K314 PolarHBondContact O-N 3.37Å
311	D	76.7	Confident	73.3	Confident	97 Å²	97	92.7 Å²	92.7	52%	0.519	50%	0.502	S	S	.	.	H	α-helix	trans	-70.7	-35.4	179.9	-71.8	-35.3	0	0	0	112.2	N307 K314 S315	N307-D311 PolarHBondContact O-N 3.41Å; D311-K314 PolarHBondContact O-N 2.98Å; D311-S315 PolarHBondContact O-N 3.2Å
312	T	78.2	Confident	74.5	Confident	71 Å²	71	97 Å²	97	44%	0.436	51%	0.513	S	S	.	.	H	α-helix	trans	-60.1	-50.6	172	-55.7	0	0	0	0	110.7	T308 A309 K314 S315 I316	T308-T312 WeakPolarHBondContact O-CB 3.46Å; T308-T312 PolarHBondContact O-N 2.88Å; T308-T312 PolarHBondContact O-OG1 3.02Å; A309-T312 PolarHBondContact O-N 3.5Å; T312-K314 VanDerWaalsContact C-N 3.34Å; T312-K314 PolarHBondContact O-N 2.79Å; T312-S315 PolarHBondContact O-N 2.9Å; T312-S315 PolarHBondContact O-OG 3.47Å; T312-I316 HydrophobicContact CG2-CD1 4.21Å; T312-I316 WeakPolarHBondContact O-CG1 3.41Å; T312-I316 PolarHBondContact O-N 2.86Å; T312-I316 VanDerWaalsContact O-N 3.11Å
313	V	80	Confident	75.5	Confident	96 Å²	96	96.9 Å²	96.9	58%	0.582	51%	0.512	S	S	*	.	H	α-helix	trans	-60.6	-42	176.6	171.7	0	0	0	0	111.5	A309 R310 S315 I316 A317	A309-V313 WeakPolarHBondContact O-CG2 3.18Å; A309-V313 PolarHBondContact O-N 3.08Å; R310-V313 PolarHBondContact O-N 3.32Å; V313-S315 PolarHBondContact O-N 3.4Å; V313-I316 PolarHBondContact O-N 3.44Å; V313-A317 WeakPolarHBondContact O-CB 3.41Å; V313-A317 PolarHBondContact O-N 2.9Å
314	K	83.5	Confident	75.9	Confident	121 Å²	121	97.3 Å²	97.3	53%	0.526	51%	0.513	S	S	.	.	H	α-helix	trans	-59.6	-44.4	175.7	-173.6	-172.4	173.1	-165	0	111.8	R310 D311 T312 I316 A317 E318	R310-K314 WeakPolarHBondContact O-CB 3.44Å; R310-K314 PolarHBondContact O-N 3.37Å; D311-K314 PolarHBondContact O-N 2.98Å; T312-K314 VanDerWaalsContact C-N 3.34Å; T312-K314 PolarHBondContact O-N 2.79Å; K314-I316 VanDerWaalsContact C-N 3.33Å; K314-I316 PolarHBondContact O-N 3.17Å; K314-A317 PolarHBondContact O-N 3.1Å; K314-E318 VanDerWaalsContact CE-OE1 3.32Å; K314-E318 WeakPolarHBondContact CE-OE1 3.35Å; K314-E318 WeakPolarHBondContact O-CB 3.25Å; K314-E318 PolarHBondContact O-N 2.8Å
315	S	78.8	Confident	76.3	Confident	69 Å²	69	94.4 Å²	94.4	48%	0.483	51%	0.513	S	S	.	.	H	α-helix	trans	-62.2	-39.7	178	80	0	0	0	0	112.4	D311 T312 V313 S319	D311-S315 PolarHBondContact O-N 3.2Å; T312-S315 PolarHBondContact O-N 2.9Å; T312-S315 PolarHBondContact O-OG 3.47Å; V313-S315 PolarHBondContact O-N 3.4Å; S315-S319 WeakPolarHBondContact O-CB 3.33Å; S315-S319 PolarHBondContact O-N 3.32Å
316	I	77.9	Confident	76.4	Confident	96 Å²	96	96 Å²	96	49%	0.492	52%	0.516	S	S	.	.	H	α-helix	trans	-66.2	-49.1	177.2	-66.5	167.1	0	0	0	109.7	T312 V313 K314 E318 S319 V320	T312-I316 HydrophobicContact CG2-CD1 4.21Å; T312-I316 WeakPolarHBondContact O-CG1 3.41Å; T312-I316 PolarHBondContact O-N 2.86Å; T312-I316 VanDerWaalsContact O-N 3.11Å; V313-I316 PolarHBondContact O-N 3.44Å; K314-I316 VanDerWaalsContact C-N 3.33Å; K314-I316 PolarHBondContact O-N 3.17Å; I316-E318 PolarHBondContact O-N 2.89Å; I316-S319 WeakPolarHBondContact O-CB 3.44Å; I316-S319 PolarHBondContact O-N 3.41Å; I316-S319 PolarHBondContact O-OG 3.17Å; I316-V320 WeakPolarHBondContact O-CG2 3.39Å; I316-V320 PolarHBondContact O-N 3.39Å
317	A	74.6	Confident	76.2	Confident	47 Å²	47	94.1 Å²	94.1	39%	0.388	51%	0.509	S	S	.	.	H	α-helix	trans	-59	-45	178	0	0	0	0	0	112.2	V313 K314 S319 V320 L321	V313-A317 WeakPolarHBondContact O-CB 3.41Å; V313-A317 PolarHBondContact O-N 2.9Å; K314-A317 PolarHBondContact O-N 3.1Å; A317-S319 VanDerWaalsContact C-N 3.32Å; A317-S319 PolarHBondContact O-N 3.01Å; A317-V320 PolarHBondContact O-N 2.95Å; A317-L321 WeakPolarHBondContact O-CB 3.35Å; A317-L321 PolarHBondContact O-N 3.46Å
318	E	80	Confident	75.8	Confident	76 Å²	76	97 Å²	97	36%	0.355	52%	0.518	S	S	.	.	H	α-helix	trans	-60.8	-39.1	173	-78.8	-168	-144.4	0	0	112.4	K314 I316 V320 L321 K322	K314-E318 VanDerWaalsContact CE-OE1 3.32Å; K314-E318 WeakPolarHBondContact CE-OE1 3.35Å; K314-E318 WeakPolarHBondContact O-CB 3.25Å; K314-E318 PolarHBondContact O-N 2.8Å; I316-E318 PolarHBondContact O-N 2.89Å; E318-V320 VanDerWaalsContact C-N 3.34Å; E318-V320 PolarHBondContact O-N 3.46Å; E318-L321 PolarHBondContact O-N 3.35Å; E318-K322 VanDerWaalsContact O-CB 3.27Å; E318-K322 WeakPolarHBondContact O-CB 3.47Å; E318-K322 WeakPolarHBondContact O-CD 3.32Å; E318-K322 WeakPolarHBondContact O-CG 3.19Å; E318-K322 PolarHBondContact O-N 3.47Å; E318-K322 IonicContact OE2-NZ 3.21Å; E318-K322 PolarHBondContact OE2-NZ 3.09Å
319	S	75	Confident	75.4	Confident	48 Å²	48	100.1 Å²	100.1	34%	0.336	52%	0.524	S	S	.	.	H	α-helix	trans	-65.9	-36	177.9	85.9	0	0	0	0	112.6	S315 I316 A317 K323	S315-S319 WeakPolarHBondContact O-CB 3.33Å; S315-S319 PolarHBondContact O-N 3.32Å; I316-S319 WeakPolarHBondContact O-CB 3.44Å; I316-S319 PolarHBondContact O-N 3.41Å; I316-S319 PolarHBondContact O-OG 3.17Å; A317-S319 VanDerWaalsContact C-N 3.32Å; A317-S319 PolarHBondContact O-N 3.01Å; S319-K323 WeakPolarHBondContact O-CD 3.4Å; S319-K323 VanDerWaalsContact O-CG 3.27Å; S319-K323 WeakPolarHBondContact O-CG 3.3Å; S319-K323 PolarHBondContact O-N 3.4Å; S319-K323 VanDerWaalsContact O-N 3.16Å
320	V	75.9	Confident	75.4	Confident	89 Å²	89	100.8 Å²	100.8	54%	0.539	52%	0.522	S	S	.	.	H	α-helix	trans	-71.8	-46.6	176.3	174.2	0	0	0	0	110.2	I316 A317 E318 K322 K323 A324	I316-V320 WeakPolarHBondContact O-CG2 3.39Å; I316-V320 PolarHBondContact O-N 3.39Å; A317-V320 PolarHBondContact O-N 2.95Å; E318-V320 VanDerWaalsContact C-N 3.34Å; E318-V320 PolarHBondContact O-N 3.46Å; V320-K322 PolarHBondContact O-N 3.13Å; V320-K323 PolarHBondContact O-N 3.41Å; V320-A324 WeakPolarHBondContact O-CB 3.44Å; V320-A324 PolarHBondContact O-N 2.77Å
321	L	77.4	Confident	74.8	Confident	124 Å²	124	96.3 Å²	96.3	65%	0.649	51%	0.511	S	S	*	.	H	α-helix	trans	-60.1	-42	175.7	-83.8	159.6	0	0	0	112.5	A317 E318 K323 A324 S325	A317-L321 WeakPolarHBondContact O-CB 3.35Å; A317-L321 PolarHBondContact O-N 3.46Å; E318-L321 PolarHBondContact O-N 3.35Å; L321-K323 VanDerWaalsContact C-N 3.35Å; L321-K323 PolarHBondContact O-N 2.91Å; L321-A324 PolarHBondContact O-N 2.85Å; L321-S325 VanDerWaalsContact O-CB 3.24Å; L321-S325 WeakPolarHBondContact O-CB 3.49Å; L321-S325 PolarHBondContact O-N 2.8Å
322	K	75.9	Confident	74.5	Confident	133 Å²	133	97.7 Å²	97.7	58%	0.578	51%	0.513	S	S	*	.	H	α-helix	trans	-64.4	-36.8	175.9	-74.8	161.8	178.8	160.1	0	112	E318 V320 F326	E318-K322 VanDerWaalsContact O-CB 3.27Å; E318-K322 WeakPolarHBondContact O-CB 3.47Å; E318-K322 WeakPolarHBondContact O-CD 3.32Å; E318-K322 WeakPolarHBondContact O-CG 3.19Å; E318-K322 PolarHBondContact O-N 3.47Å; E318-K322 IonicContact OE2-NZ 3.21Å; E318-K322 PolarHBondContact OE2-NZ 3.09Å; V320-K322 PolarHBondContact O-N 3.13Å; K322-F326 PolarHBondContact O-N 3.32Å
323	K	73.1	Confident	74	Confident	145 Å²	145	97.4 Å²	97.4	63%	0.63	51%	0.511	S	S	*	.	H	α-helix	trans	-71	-45.6	173.7	-73.1	168.7	-177.6	173.3	0	112.5	S319 V320 L321 S325 F326 V327	S319-K323 WeakPolarHBondContact O-CD 3.4Å; S319-K323 VanDerWaalsContact O-CG 3.27Å; S319-K323 WeakPolarHBondContact O-CG 3.3Å; S319-K323 PolarHBondContact O-N 3.4Å; S319-K323 VanDerWaalsContact O-N 3.16Å; V320-K323 PolarHBondContact O-N 3.41Å; L321-K323 VanDerWaalsContact C-N 3.35Å; L321-K323 PolarHBondContact O-N 2.91Å; K323-S325 VanDerWaalsContact C-N 3.33Å; K323-S325 PolarHBondContact O-N 3.35Å; K323-F326 WeakPolarHBondContact O-CB 3.23Å; K323-F326 PolarHBondContact O-N 2.82Å; K323-V327 PolarHBondContact O-N 2.89Å; K323-V327 VanDerWaalsContact O-N 3.14Å
324	A	71	Confident	73.1	Confident	41 Å²	41	95.9 Å²	95.9	34%	0.339	50%	0.502	S	S	.	.	H	α-helix	trans	-61.5	-41	177.7	0	0	0	0	0	111.9	V320 L321 F326 V327 F328	V320-A324 WeakPolarHBondContact O-CB 3.44Å; V320-A324 PolarHBondContact O-N 2.77Å; L321-A324 PolarHBondContact O-N 2.85Å; A324-F326 VanDerWaalsContact C-N 3.32Å; A324-F326 PolarHBondContact O-N 3.42Å; A324-V327 PolarHBondContact O-N 3.49Å; A324-F328 PolarHBondContact O-N 2.92Å
325	S	75.4	Confident	72.1	Confident	79 Å²	79	93.2 Å²	93.2	55%	0.552	50%	0.496	S	S	*	.	H	α-helix	trans	-55.9	-42.9	173.1	176.2	0	0	0	0	112.6	L321 K323 K329	L321-S325 VanDerWaalsContact O-CB 3.24Å; L321-S325 WeakPolarHBondContact O-CB 3.49Å; L321-S325 PolarHBondContact O-N 2.8Å; K323-S325 VanDerWaalsContact C-N 3.33Å; K323-S325 PolarHBondContact O-N 3.35Å; S325-K329 WeakPolarHBondContact O-CB 3.13Å; S325-K329 PolarHBondContact O-N 3.07Å
326	F	71.6	Confident	71.6	Confident	143 Å²	143	94 Å²	94	63%	0.627	49%	0.492	S	S	*	.	H	α-helix	trans	-64.3	-45.8	175.5	-175.2	-97.2	0	0	0	112	K322 K323 A324 K329 V330	K322-F326 PolarHBondContact O-N 3.32Å; K323-F326 WeakPolarHBondContact O-CB 3.23Å; K323-F326 PolarHBondContact O-N 2.82Å; A324-F326 VanDerWaalsContact C-N 3.32Å; A324-F326 PolarHBondContact O-N 3.42Å; F326-K329 PolarHBondContact O-N 3.21Å; F326-V330 HydrophobicContact CD1-CG2 4.14Å; F326-V330 HydrophobicContact CE1-CG2 3.73Å; F326-V330 HydrophobicContact CE2-CG2 4.47Å; F326-V330 HydrophobicContact CZ-CG2 3.91Å; F326-V330 WeakPolarHBondContact O-CG2 3.43Å; F326-V330 PolarHBondContact O-N 2.84Å
327	V	70.1	Confident	70.7	Confident	82 Å²	82	95.1 Å²	95.1	50%	0.497	50%	0.495	S	S	.	.	H	α-helix	trans	-61.2	-47.2	177.9	175.3	0	0	0	0	111.4	K323 A324 K329 V330 I331	K323-V327 PolarHBondContact O-N 2.89Å; K323-V327 VanDerWaalsContact O-N 3.14Å; A324-V327 PolarHBondContact O-N 3.49Å; V327-K329 VanDerWaalsContact C-N 3.29Å; V327-K329 PolarHBondContact O-N 2.76Å; V327-V330 PolarHBondContact O-N 2.82Å; V327-I331 HydrophobicContact CG1-CD1 3.81Å; V327-I331 HydrophobicContact CG1-CG1 4.47Å; V327-I331 WeakPolarHBondContact O-CG1 3.13Å; V327-I331 PolarHBondContact O-N 3.38Å
328	F	67.3	Low	69.8	Low	156 Å²	156	99.1 Å²	99.1	68%	0.684	51%	0.506	S	S	*	.	H	α-helix	trans	-59.5	-38.6	174.9	-96.8	-79.7	0	0	0	112.6	A324 K332	A324-F328 PolarHBondContact O-N 2.92Å; F328-K332 WeakPolarHBondContact O-CB 3.29Å; F328-K332 PolarHBondContact O-N 2.85Å
329	K	68	Low	68.7	Low	151 Å²	151	102.3 Å²	102.3	66%	0.657	52%	0.521	S	S	*	.	H	α-helix	trans	-68.5	-40.5	178.1	-166	168.6	-174.4	175	0	112.1	S325 F326 V327 K332 T333	S325-K329 WeakPolarHBondContact O-CB 3.13Å; S325-K329 PolarHBondContact O-N 3.07Å; F326-K329 PolarHBondContact O-N 3.21Å; V327-K329 VanDerWaalsContact C-N 3.29Å; V327-K329 PolarHBondContact O-N 2.76Å; K329-K332 PolarHBondContact O-N 2.93Å; K329-T333 PolarHBondContact O-N 3.29Å; K329-T333 PolarHBondContact O-OG1 3.22Å; K329-T333 VanDerWaalsContact O-OG1 3.11Å
330	V	71.2	Confident	67.8	Low	64 Å²	64	109.1 Å²	109.1	39%	0.388	54%	0.539	S	S	.	.	H	α-helix	trans	-61.7	-51.8	173.9	171.2	0	0	0	0	110.6	F326 V327 K332 T333 T334	F326-V330 HydrophobicContact CD1-CG2 4.14Å; F326-V330 HydrophobicContact CE1-CG2 3.73Å; F326-V330 HydrophobicContact CE2-CG2 4.47Å; F326-V330 HydrophobicContact CZ-CG2 3.91Å; F326-V330 WeakPolarHBondContact O-CG2 3.43Å; F326-V330 PolarHBondContact O-N 2.84Å; V327-V330 PolarHBondContact O-N 2.82Å; V330-K332 VanDerWaalsContact C-N 3.3Å; V330-K332 PolarHBondContact O-N 2.77Å; V330-T333 WeakPolarHBondContact CA-OG1 3.35Å; V330-T333 PolarHBondContact O-N 2.68Å; V330-T333 VanDerWaalsContact O-N 3.1Å; V330-T333 PolarHBondContact O-OG1 3.17Å; V330-T334 PolarHBondContact O-N 3.1Å; V330-T334 PolarHBondContact O-OG1 3.25Å; V330-T334 VanDerWaalsContact O-OG1 3.14Å
331	I	69.7	Low	66.7	Low	94 Å²	94	113.6 Å²	113.6	48%	0.482	55%	0.548	S	S	.	.	H	α-helix	trans	-54.2	-48	178	-68.2	167	0	0	0	110.5	V327 T333 T334 T335	V327-I331 HydrophobicContact CG1-CD1 3.81Å; V327-I331 HydrophobicContact CG1-CG1 4.47Å; V327-I331 WeakPolarHBondContact O-CG1 3.13Å; V327-I331 PolarHBondContact O-N 3.38Å; I331-T333 PolarHBondContact O-N 2.95Å; I331-T334 PolarHBondContact O-N 3.39Å; I331-T335 PolarHBondContact O-N 2.93Å; I331-T335 PolarHBondContact O-OG1 3.33Å
332	K	70.7	Confident	65.5	Low	126 Å²	126	112 Å²	112	55%	0.548	55%	0.552	S	S	.	*	H	α-helix	trans	-60.5	-43.4	177.9	179.7	166.6	176.3	170.4	0	112.7	F328 K329 V330 T334 T335 E336	F328-K332 WeakPolarHBondContact O-CB 3.29Å; F328-K332 PolarHBondContact O-N 2.85Å; K329-K332 PolarHBondContact O-N 2.93Å; V330-K332 VanDerWaalsContact C-N 3.3Å; V330-K332 PolarHBondContact O-N 2.77Å; K332-T334 VanDerWaalsContact C-N 3.33Å; K332-T334 PolarHBondContact O-N 3.23Å; K332-T335 PolarHBondContact O-N 2.7Å; K332-T335 PolarHBondContact O-OG1 3.39Å; K332-E336 WeakPolarHBondContact CE-OE1 3.48Å; K332-E336 HydrophobicContact CG-CG 4.4Å; K332-E336 IonicContact NZ-OE1 3.65Å; K332-E336 WeakPolarHBondContact O-CB 3.3Å; K332-E336 VanDerWaalsContact O-CG 3.31Å; K332-E336 WeakPolarHBondContact O-CG 3.16Å; K332-E336 PolarHBondContact O-N 3.49Å
333	T	66.2	Low	64.3	Low	65 Å²	65	109.2 Å²	109.2	40%	0.399	55%	0.554	S	S	.	*	H	α-helix	trans	-66.7	-33.2	176.6	47	0	0	0	0	113	K329 V330 I331 Q337	K329-T333 PolarHBondContact O-N 3.29Å; K329-T333 PolarHBondContact O-OG1 3.22Å; K329-T333 VanDerWaalsContact O-OG1 3.11Å; V330-T333 WeakPolarHBondContact CA-OG1 3.35Å; V330-T333 PolarHBondContact O-N 2.68Å; V330-T333 VanDerWaalsContact O-N 3.1Å; V330-T333 PolarHBondContact O-OG1 3.17Å; I331-T333 PolarHBondContact O-N 2.95Å; T333-Q337 WeakPolarHBondContact O-CG 3.48Å; T333-Q337 PolarHBondContact O-N 2.73Å
334	T	61.8	Low	63.3	Low	65 Å²	65	109.4 Å²	109.4	40%	0.399	56%	0.562	S	S	.	*	H	α-helix	trans	-69.2	-43.5	175.7	-55.9	0	0	0	0	111.3	V330 I331 K332 Q337 Q338	V330-T334 PolarHBondContact O-N 3.1Å; V330-T334 PolarHBondContact O-OG1 3.25Å; V330-T334 VanDerWaalsContact O-OG1 3.14Å; I331-T334 PolarHBondContact O-N 3.39Å; K332-T334 VanDerWaalsContact C-N 3.33Å; K332-T334 PolarHBondContact O-N 3.23Å; T334-Q337 PolarHBondContact O-N 2.84Å; T334-Q338 WeakPolarHBondContact O-CG 3.46Å; T334-Q338 PolarHBondContact O-N 3.49Å
335	T	62.9	Low	61.7	Low	65 Å²	65	111 Å²	111	40%	0.399	58%	0.583	S	S	.	*	H	α-helix	trans	-66.5	-38.8	175.8	54.6	0	0	0	0	112.2	I331 K332 Q337 Q338 Q339	I331-T335 PolarHBondContact O-N 2.93Å; I331-T335 PolarHBondContact O-OG1 3.33Å; K332-T335 PolarHBondContact O-N 2.7Å; K332-T335 PolarHBondContact O-OG1 3.39Å; T335-Q337 VanDerWaalsContact C-N 3.33Å; T335-Q337 PolarHBondContact O-N 2.8Å; T335-Q338 PolarHBondContact O-N 3.11Å; T335-Q339 WeakPolarHBondContact O-CB 3.44Å; T335-Q339 WeakPolarHBondContact O-CG 3.39Å; T335-Q339 PolarHBondContact O-N 3.08Å
336	E	67.2	Low	59.6	Low	86 Å²	86	110.7 Å²	110.7	40%	0.402	59%	0.592	S	S	.	*	H	α-helix	trans	-65.3	-32.6	174.3	-74.8	176.1	167	0	0	112.8	K332 R340	K332-E336 WeakPolarHBondContact CE-OE1 3.48Å; K332-E336 HydrophobicContact CG-CG 4.4Å; K332-E336 IonicContact NZ-OE1 3.65Å; K332-E336 WeakPolarHBondContact O-CB 3.3Å; K332-E336 VanDerWaalsContact O-CG 3.31Å; K332-E336 WeakPolarHBondContact O-CG 3.16Å; K332-E336 PolarHBondContact O-N 3.49Å; E336-R340 VanDerWaalsContact O-CG 3.3Å; E336-R340 WeakPolarHBondContact O-CG 3.35Å; E336-R340 PolarHBondContact O-N 2.85Å
337	Q	59.8	Low	58	Low	118 Å²	118	108.7 Å²	108.7	55%	0.551	60%	0.602	S	S	*	*	H	α-helix	trans	-73.1	-46.1	171.7	-79.1	-172.8	-27.1	0	0	112.3	T333 T334 T335 Q339 R340 Y341	T333-Q337 WeakPolarHBondContact O-CG 3.48Å; T333-Q337 PolarHBondContact O-N 2.73Å; T334-Q337 PolarHBondContact O-N 2.84Å; T335-Q337 VanDerWaalsContact C-N 3.33Å; T335-Q337 PolarHBondContact O-N 2.8Å; Q337-Q339 VanDerWaalsContact C-N 3.32Å; Q337-Q339 PolarHBondContact O-N 2.68Å; Q337-R340 PolarHBondContact O-N 3.19Å; Q337-R340 VanDerWaalsContact O-N 3.07Å; Q337-Y341 HydrophobicContact CB-CE2 4.49Å; Q337-Y341 WeakPolarHBondContact O-CD2 3.07Å; Q337-Y341 PolarHBondContact O-N 3.33Å
338	Q	55.7	Low	56.4	Low	131 Å²	131	112 Å²	112	61%	0.612	62%	0.623	S	S	*	*	H	α-helix	trans	-62.2	-38	178.8	-72.7	-179.3	-63.6	0	0	112.2	T334 T335 R340 Y341 A342	T334-Q338 WeakPolarHBondContact O-CG 3.46Å; T334-Q338 PolarHBondContact O-N 3.49Å; T335-Q338 PolarHBondContact O-N 3.11Å; Q338-R340 VanDerWaalsContact C-N 3.35Å; Q338-R340 PolarHBondContact O-N 2.75Å; Q338-Y341 PolarHBondContact O-N 2.76Å; Q338-A342 WeakPolarHBondContact O-CB 3.29Å; Q338-A342 PolarHBondContact O-N 3.43Å
339	Q	57.4	Low	54.7	Low	144 Å²	144	114.6 Å²	114.6	67%	0.673	63%	0.634	S	S	*	*	H	α-helix	trans	-67.8	-30.5	173.3	-74.1	-176.2	-38.4	0	0	113.3	T335 Q337 A343	T335-Q339 WeakPolarHBondContact O-CB 3.44Å; T335-Q339 WeakPolarHBondContact O-CG 3.39Å; T335-Q339 PolarHBondContact O-N 3.08Å; Q337-Q339 VanDerWaalsContact C-N 3.32Å; Q337-Q339 PolarHBondContact O-N 2.68Å; Q339-A343 WeakPolarHBondContact O-CB 3.44Å; Q339-A343 PolarHBondContact O-N 3.11Å
340	R	55.8	Low	53.2	Low	190 Å²	190	112 Å²	112	72%	0.717	64%	0.641	S	S	*	*	H	α-helix	trans	-71.9	-38.8	174.4	-77.2	176.5	-178.9	-157.9	-0.3	112.8	E336 Q337 Q338 A342 A343 N344	E336-R340 VanDerWaalsContact O-CG 3.3Å; E336-R340 WeakPolarHBondContact O-CG 3.35Å; E336-R340 PolarHBondContact O-N 2.85Å; Q337-R340 PolarHBondContact O-N 3.19Å; Q337-R340 VanDerWaalsContact O-N 3.07Å; Q338-R340 VanDerWaalsContact C-N 3.35Å; Q338-R340 PolarHBondContact O-N 2.75Å; R340-A342 VanDerWaalsContact C-N 3.33Å; R340-A343 PolarHBondContact O-N 3.06Å; R340-N344 PolarHBondContact O-N 2.87Å
341	Y	51.8	Low	51.4	Low	183 Å²	183	117.5 Å²	117.5	72%	0.718	66%	0.662	S	S	*	*	H	α-helix	trans	-70.6	-28	174	-70.3	-63.9	0	0	0	112.9	Q337 Q338 A343	Q337-Y341 HydrophobicContact CB-CE2 4.49Å; Q337-Y341 WeakPolarHBondContact O-CD2 3.07Å; Q337-Y341 PolarHBondContact O-N 3.33Å; Q338-Y341 PolarHBondContact O-N 2.76Å; Y341-A343 VanDerWaalsContact C-N 3.31Å
342	A	52.1	Low	49.9	Very low	90 Å²	90	118.1 Å²	118.1	74%	0.744	67%	0.672	S	S	*	*	H	α-helix	trans	-75.3	-15.5	171.3	0	0	0	0	0	114.3	Q338 R340	Q338-A342 WeakPolarHBondContact O-CB 3.29Å; Q338-A342 PolarHBondContact O-N 3.43Å; R340-A342 VanDerWaalsContact C-N 3.33Å
343	A	51.7	Low	48.4	Very low	75 Å²	75	116.9 Å²	116.9	62%	0.62	68%	0.679	S	S	*	*	H	α-helix	trans	-96.8	-30.7	-178.2	0	0	0	0	0	113.9	Q339 R340 Y341	Q339-A343 WeakPolarHBondContact O-CB 3.44Å; Q339-A343 PolarHBondContact O-N 3.11Å; R340-A343 PolarHBondContact O-N 3.06Å; Y341-A343 VanDerWaalsContact C-N 3.31Å
344	N	52.2	Low	47	Very low	149 Å²	149	119.3 Å²	119.3	80%	0.797	69%	0.694	S	S	*	*	S	Bend	trans	-116.3	76.7	-177.9	-72.6	5	0	0	0	110.5	R340	R340-N344 PolarHBondContact O-N 2.87Å
345	G	36.7	Very low	45.7	Very low	76 Å²	76	124 Å²	124	78%	0.784	72%	0.717	S	S	*	*			trans	-144	32.8	-172.4	0	0	0	0	0	114.8
346	G	32.2	Very low	44.3	Very low	72 Å²	72	124.1 Å²	124.1	74%	0.742	73%	0.731	S	S	*	*			trans	-140.3	141.8	177.4	0	0	0	0	0	112.1
347	A	36.7	Very low	42.8	Very low	101 Å²	101	127.7 Å²	127.7	84%	0.835	75%	0.753	S	S	*	*			trans	61.5	98.2	176.9	0	0	0	0	0	117.9
348	T	36.8	Very low	41.5	Very low	151 Å²	151	126.9 Å²	126.9	93%	0.926	77%	0.766	S	S	*	*			trans	-152.1	127.3	133.8	3.4	0	0	0	0	110.4
349	F	31.2	Very low	40.6	Very low	211 Å²	211	127 Å²	127	93%	0.925	78%	0.775	S	S	*	*			trans	-143.9	106.2	179.3	-138.2	-75.4	0	0	0	107.6
350	A	36.7	Very low	39.5	Very low	97 Å²	97	125.8 Å²	125.8	80%	0.802	78%	0.783	S	S	*	*			trans	-174.7	123.9	165.5	0	0	0	0	0	111.9
351	H	34.6	Very low	38.6	Very low	179 Å²	179	121.8 Å²	121.8	83%	0.829	78%	0.784	S	S	*	*			trans	-73.3	172.6	156.1	-84.8	-82.7	0	0	0	109.4
352	P	37.6	Very low	38	Very low	107 Å²	107	118 Å²	118	70%	0.695	78%	0.784	S	S	*	*			cis	-153	-179.1	37.1	43.4	-21.6	0	0	0	119.9
353	S	38.3	Very low	37.2	Very low	99 Å²	99	118.7 Å²	118.7	69%	0.692	78%	0.784	S	S	*	*			trans	67.6	142.2	149.2	65.2	0	0	0	0	120.2
354	T	37.7	Very low	36.3	Very low	117 Å²	117	125.6 Å²	125.6	72%	0.718	80%	0.796	S	S	*	*			cis	-163.7	153.4	-21.7	22.1	0	0	0	0	108.3
355	N	35.5	Very low	35.4	Very low	163 Å²	163	129.7 Å²	129.7	87%	0.872	80%	0.8	S	S	*	*			trans	64.3	102	162.3	-54.8	-10.9	0	0	0	116.8
356	G	32.6	Very low	35.4	Very low	68 Å²	68	131.8 Å²	131.8	70%	0.701	80%	0.803	S	S	*	*	S	Bend	trans	151.6	81.9	175	0	0	0	0	0	111.6
357	D	35.6	Very low	35.2	Very low	160 Å²	160	134.7 Å²	134.7	86%	0.856	81%	0.81	S	S	*	*			trans	31.8	85.3	163.8	-53.8	-16.2	0	0	0	116.8
358	A	33.4	Very low	35.2	Very low	101 Å²	101	137.3 Å²	137.3	84%	0.835	81%	0.81	S	S	*	*			trans	-60.2	136.3	177.1	0	0	0	0	0	111.7
359	V	36	Very low	35.3	Very low	133 Å²	133	137.5 Å²	137.5	81%	0.806	80%	0.804	S	S	*	*			cis	75.5	81.5	29.2	-168.5	0	0	0	0	114.8
360	S	34.7	Very low	35.3	Very low	119 Å²	119	133.3 Å²	133.3	83%	0.832	80%	0.801	S	S	*	*			trans	-176.4	146.1	143.7	-157.4	0	0	0	0	107.9
361	S	36.8	Very low	35.2	Very low	106 Å²	106	134.1 Å²	134.1	74%	0.741	80%	0.798	S	S	*	*			cis	-141.6	136.1	6.7	-176.8	0	0	0	0	113.1	S363	S361-S363 PolarHBondContact O-N 2.99Å
362	S	38.6	Very low	35.5	Very low	103 Å²	103	135.3 Å²	135.3	72%	0.72	80%	0.801	S	S	*	*			trans	5.6	94.3	154.1	-166.9	0	0	0	0	121.7
363	S	35.3	Very low	35.4	Very low	106 Å²	106	138 Å²	138	74%	0.741	81%	0.809	S	S	*	*				58.2	62.4	117.6	-54	0	0	0	0	121.1	S361	S361-S363 PolarHBondContact O-N 2.99Å
364	Y	33	Very low	35.3	Very low	220 Å²	220	142.9 Å²	142.9	86%	0.863	82%	0.821	S	S	*	*			trans	-144.9	144.4	140	-112.2	-87.8	0	0	0	109.5
365	W	33	Very low	35.4	Very low	234 Å²	234	142.3 Å²	142.3	89%	0.886	82%	0.822	S	S	*	*			trans	69.4	105.1	-175.1	-54.8	97	0	0	0	118.1
366	S	36.7	Very low	35.5	Very low	120 Å²	120	143.7 Å²	143.7	84%	0.839	82%	0.82	S	S	*	*			trans	-173.5	111.5	140.4	43.1	0	0	0	0	111.4
367	C	28.9	Very low	35.7	Very low	133 Å²	133	152.1 Å²	152.1	90%	0.899	83%	0.831	S	S	*	*			trans	-149.4	54.8	173.9	-99.8	0	0	0	0	111
368	L	37.2	Very low	35.6	Very low	157 Å²	157	154.2 Å²	154.2	82%	0.822	83%	0.833	S	S	*	*			trans	-130.7	125.3	175.5	-74.2	174	0	0	0	111.5
369	L	37.1	Very low	35.7	Very low	155 Å²	155	155.9 Å²	155.9	81%	0.812	83%	0.833	S	S	*	*			trans	42.4	109.4	158.1	-66.8	83.2	0	0	0	119.6
370	S	31.9	Very low	36.2	Very low	122 Å²	122	153.5 Å²	153.5	85%	0.853	82%	0.822	S	S	*	*			trans	-153.6	112.9	130.2	-170.2	0	0	0	0	111
371	P	35.6	Very low	36.4	Very low	115 Å²	115	159.4 Å²	159.4	75%	0.747	83%	0.826	S	S	*	*			trans	-101.4	110.8	-176.3	34.5	-29.4	0	0	0	113.1
372	K	40.8	Very low	36.7	Very low	203 Å²	203	162.3 Å²	162.3	88%	0.883	83%	0.828	S	S	*	*			trans	-161.5	154.4	159.7	-108	151.3	-171.8	178.1	0	111.7
373	N	35.8	Very low	36.9	Very low	165 Å²	165	162.1 Å²	162.1	88%	0.882	83%	0.825	S	S	*	*			trans	57.2	102.9	-177.4	-75.4	-4.6	0	0	0	117.8
374	Q	34.9	Very low	37.1	Very low	200 Å²	200	166 Å²	166	94%	0.935	83%	0.825	S	S	*	*			trans	-69.8	125.2	158.6	-58.1	169.9	-0.4	0	0	110.1
375	S	40.6	Very low	37.3	Very low	105 Å²	105	162.1 Å²	162.1	73%	0.734	81%	0.813	S	S	*	*			trans	-170.7	160	146.5	-158.8	0	0	0	0	111.1
376	K	38.2	Very low	38	Very low	192 Å²	192	155.5 Å²	155.5	84%	0.835	80%	0.798	S	S	*	*			trans	60.4	105.6	171.6	-58.5	179.3	-176	177	0	115.8	F378	K376-F378 PolarHBondContact O-N 3.33Å
377	R	35	Very low	38.3	Very low	245 Å²	245	156.3 Å²	156.3	93%	0.925	79%	0.789	S	S	*	*			trans	-57.4	131.4	163.7	-63.7	172.5	177.5	163.3	-1.8	109.7
378	F	34.5	Very low	39.1	Very low	204 Å²	204	154.3 Å²	154.3	90%	0.895	77%	0.769	S	S	*	*			trans	-133.5	136.4	155.1	-124.4	-91.3	0	0	0	110.4	K376	K376-F378 PolarHBondContact O-N 3.33Å
379	T	36.2	Very low	39.4	Very low	137 Å²	137	153 Å²	153	84%	0.84	76%	0.76	S	S	*	*			trans	-99.6	103.4	-165.2	50.9	0	0	0	0	112.2
380	S	45.8	Very low	40	Very low	83 Å²	83	153.3 Å²	153.3	58%	0.58	76%	0.757	S	S	*	*			trans	-130.3	123.3	163.6	-177.2	0	0	0	0	110.6	H382	S380-H382 VanDerWaalsContact C-N 3.26Å; S380-H382 PolarHBondContact O-N 3.09Å
381	R	39.3	Very low	40.5	Very low	243 Å²	243	153.8 Å²	153.8	92%	0.917	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-2.6	-178.6	-78.3	-178.3	170.4	166.8	-2.5	114.2
382	H	43.1	Very low	40.7	Very low	167 Å²	167	157.4 Å²	157.4	77%	0.773	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-29.3	-172.5	-91.5	87.3	0	0	0	115.1	S380	S380-H382 VanDerWaalsContact C-N 3.26Å; S380-H382 PolarHBondContact O-N 3.09Å
383	C	41.1	Very low	40.4	Very low	99 Å²	99	157.5 Å²	157.5	67%	0.669	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-17.2	-175.4	-58.5	0	0	0	0	114.5	F385	C383-F385 PolarHBondContact O-N 3.41Å
384	Y	39.5	Very low	40.4	Very low	188 Å²	188	156.1 Å²	156.1	74%	0.737	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-10.6	-170.9	-127.5	-82.2	0	0	0	114.6	L388	Y384-L388 HydrophobicContact CD1-CD1 4.43Å
385	F	38.2	Very low	40.3	Very low	138 Å²	138	152.4 Å²	152.4	61%	0.605	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-38.7	-172	-173.1	-108	0	0	0	113.6	C383 L388 M389	C383-F385 PolarHBondContact O-N 3.41Å; F385-L388 PolarHBondContact O-N 2.77Å; F385-M389 HydrophobicContact CD1-CG 4.47Å; F385-M389 HydrophobicContact CE1-CG 4.05Å; F385-M389 HydrophobicContact CE1-SD 4.47Å; F385-M389 HydrophobicContact CE2-CG 4.49Å; F385-M389 HydrophobicContact CE2-SD 4.4Å; F385-M389 HydrophobicContact CZ-CG 4.05Å; F385-M389 HydrophobicContact CZ-SD 3.96Å; F385-M389 WeakPolarHBondContact O-CG 3.39Å; F385-M389 PolarHBondContact O-N 2.91Å
386	T	47.5	Very low	40.1	Very low	95 Å²	95	153 Å²	153	58%	0.583	74%	0.739	S	S	*	*	H	α-helix	trans	-60.5	-49.9	178.8	43.7	0	0	0	0	111.5	L388 M389	T386-L388 PolarHBondContact O-N 2.85Å; T386-L388 VanDerWaalsContact O-N 3.08Å; T386-M389 PolarHBondContact O-N 2.87Å
387	Q	43.4	Very low	39.9	Very low	137 Å²	137	147.3 Å²	147.3	64%	0.64	73%	0.728	S	S	*	*	H	α-helix	trans	-66.8	-11.8	-178.5	-154	167.9	19.8	0	0	114.2	N391	Q387-N391 PolarHBondContact O-ND2 3.2Å
388	L	45.2	Very low	39.9	Very low	91 Å²	91	138.1 Å²	138.1	48%	0.476	71%	0.71	S	S	.	*	H	α-helix	trans	-92	-15.1	174	-105.5	167.6	0	0	0	113.8	Y384 F385 T386	Y384-L388 HydrophobicContact CD1-CD1 4.43Å; F385-L388 PolarHBondContact O-N 2.77Å; T386-L388 PolarHBondContact O-N 2.85Å; T386-L388 VanDerWaalsContact O-N 3.08Å
389	M	44.7	Very low	40	Very low	130 Å²	130	133 Å²	133	64%	0.64	70%	0.699	S	S	*	*	H	α-helix	trans	-94.4	-31.8	-178.5	-68.7	-67.9	-70.4	0	0	113	F385 T386	F385-M389 HydrophobicContact CD1-CG 4.47Å; F385-M389 HydrophobicContact CE1-CG 4.05Å; F385-M389 HydrophobicContact CE1-SD 4.47Å; F385-M389 HydrophobicContact CE2-CG 4.49Å; F385-M389 HydrophobicContact CE2-SD 4.4Å; F385-M389 HydrophobicContact CZ-CG 4.05Å; F385-M389 HydrophobicContact CZ-SD 3.96Å; F385-M389 WeakPolarHBondContact O-CG 3.39Å; F385-M389 PolarHBondContact O-N 2.91Å; T386-M389 PolarHBondContact O-N 2.87Å
390	E	49.1	Very low	39.7	Very low	160 Å²	160	131 Å²	131	75%	0.748	69%	0.691	S	S	*	*	S	Bend	trans	-76	-30.8	178.2	-73.9	174.4	129.1	0	0	113.1	R392	E390-R392 VanDerWaalsContact C-N 3.26Å; E390-R392 PolarHBondContact O-N 2.92Å
391	N	41.4	Very low	39	Very low	132 Å²	132	135 Å²	135	71%	0.706	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	29.9	-173.3	-77.8	-51.1	0	0	0	115.4	Q387	Q387-N391 PolarHBondContact O-ND2 3.2Å
392	R	40.9	Very low	38.5	Very low	191 Å²	191	127 Å²	127	72%	0.721	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.9	38.8	-179.8	-65.4	-163.2	-168.3	-135.8	3.8	116.5	E390	E390-R392 VanDerWaalsContact C-N 3.26Å; E390-R392 PolarHBondContact O-N 2.92Å
393	F	34.5	Very low	37.9	Very low	205 Å²	205	126 Å²	126	90%	0.899	69%	0.689	S	S	*	*	S	Bend	trans	-154.7	45.2	160.6	-107.2	-61.8	0	0	0	115.4
394	V	35.6	Very low	37.5	Very low	137 Å²	137	128.1 Å²	128.1	83%	0.83	69%	0.694	S	S	*	*			trans	-130.5	128.2	166.7	-176.1	0	0	0	0	109.7
395	T	32.6	Very low	37.2	Very low	121 Å²	121	124.2 Å²	124.2	74%	0.742	69%	0.694	S	S	*	*			trans	-112	110.1	-178.5	49.2	0	0	0	0	111.4
396	P	36	Very low	37.2	Very low	118 Å²	118	123.3 Å²	123.3	77%	0.766	70%	0.7	S	S	*	*			trans	-83	135.4	170.7	32.4	-31.7	0	0	0	111.1
397	A	35	Very low	36.7	Very low	72 Å²	72	125.4 Å²	125.4	60%	0.595	71%	0.708	S	S	*	*			trans	-81	168.2	174.8	0	0	0	0	0	112.7	K441	A397-K441 VanDerWaalsContact O-CD 3.26Å; A397-K441 WeakPolarHBondContact O-CD 3.07Å; A397-K441 WeakPolarHBondContact O-CE 3.04Å; A397-K441 PolarHBondContact O-NZ 2.99Å
398	G	34.9	Very low	36.3	Very low	52 Å²	52	124.9 Å²	124.9	54%	0.536	72%	0.719	S	S	.	*			trans	88.8	123.8	147.6	0	0	0	0	0	119.7	K441	G398-K441 WeakPolarHBondContact O-CE 3.45Å; G398-K441 PolarHBondContact O-NZ 3.48Å
399	S	35.8	Very low	35.9	Very low	96 Å²	96	124.3 Å²	124.3	67%	0.671	74%	0.735	S	S	*	*			trans	62.8	94.7	143.3	68.2	0	0	0	0	121.2
400	S	30.2	Very low	35.3	Very low	97 Å²	97	130.1 Å²	130.1	68%	0.678	75%	0.75	S	S	*	*				63.9	147.1	113.1	70	0	0	0	0	123.3
401	I	31.2	Very low	34.7	Very low	166 Å²	166	128.2 Å²	128.2	85%	0.851	75%	0.754	S	S	*	*			trans	75.2	137.6	164.8	-58.5	160.8	0	0	0	114.4
402	A	29.7	Very low	34.5	Very low	76 Å²	76	126.7 Å²	126.7	63%	0.628	75%	0.754	S	S	*	*			cis	-169.6	-177.9	-27	0	0	0	0	0	108.7
403	L	29.4	Very low	34.3	Very low	144 Å²	144	123.5 Å²	123.5	75%	0.754	76%	0.756	S	S	*	*			trans	74.5	132	159	-61.5	162.2	0	0	0	118.6
404	D	31.8	Very low	34.4	Very low	145 Å²	145	117.9 Å²	117.9	78%	0.775	75%	0.748	S	S	*	*				52.3	143.7	125.6	-58.3	6	0	0	0	120.6
405	S	33.7	Very low	34.5	Very low	105 Å²	105	118.2 Å²	118.2	73%	0.734	75%	0.745	S	S	*	*			cis	-174.6	-157.4	-5.2	177.7	0	0	0	0	107.5
406	V	38.1	Very low	34.8	Very low	119 Å²	119	118 Å²	118	72%	0.721	74%	0.744	S	S	*	*			trans	100.6	79.7	164.7	-169.3	0	0	0	0	117.4
407	N	37.1	Very low	34.9	Very low	140 Å²	140	117.5 Å²	117.5	75%	0.749	74%	0.743	S	S	*	*				79.8	128.5	122.7	-67.8	-5.8	0	0	0	124.6
408	S	35.6	Very low	34.9	Very low	125 Å²	125	119.1 Å²	119.1	87%	0.874	75%	0.75	S	S	*	*			trans	85.8	96.8	136.3	-66.7	0	0	0	0	120.4
409	G	37.3	Very low	35	Very low	80 Å²	80	126.8 Å²	126.8	83%	0.825	77%	0.768	S	S	*	*			trans	-152.7	30.7	172.1	0	0	0	0	0	115.5
410	R	31.6	Very low	34.9	Very low	252 Å²	252	126.6 Å²	126.6	95%	0.951	77%	0.773	S	S	*	*			trans	4.9	110.6	170.9	-172.3	-172.3	-169.8	-176	4.4	118.8
411	S	36.3	Very low	35.4	Very low	119 Å²	119	125.8 Å²	125.8	83%	0.832	78%	0.78	S	S	*	*			trans	-154.9	163.5	143.5	-159.1	0	0	0	0	112
412	S	36.5	Very low	35.5	Very low	101 Å²	101	127.9 Å²	127.9	71%	0.706	78%	0.783	S	S	*	*			trans	-84.3	169.1	179.9	51.7	0	0	0	0	112.3
413	T	37.8	Very low	36	Very low	124 Å²	124	136.2 Å²	136.2	76%	0.761	80%	0.798	S	S	*	*			cis	-154.3	148.4	32.3	46.5	0	0	0	0	114.5
414	A	37.4	Very low	36.2	Very low	87 Å²	87	139.4 Å²	139.4	72%	0.719	80%	0.8	S	S	*	*			trans	62.1	150	139	0	0	0	0	0	124.5
415	D	36.6	Very low	36.4	Very low	144 Å²	144	141.4 Å²	141.4	77%	0.77	80%	0.802	S	S	*	*			trans	84.2	77.8	149.8	-59.4	-35.4	0	0	0	125.4
416	T	37.9	Very low	36.6	Very low	117 Å²	117	141.3 Å²	141.3	72%	0.718	81%	0.808	S	S	*	*				70.2	132.8	106	-55.4	0	0	0	0	122.7
417	S	39.6	Very low	36.4	Very low	107 Å²	107	145.1 Å²	145.1	75%	0.748	82%	0.815	S	S	*	*			trans	71.8	140.4	167.4	75.2	0	0	0	0	118.2
418	S	35.5	Very low	36.1	Very low	106 Å²	106	144.7 Å²	144.7	74%	0.741	82%	0.821	S	S	*	*			cis	129.4	100.2	-14.2	70.7	0	0	0	0	113.5
419	F	35.4	Very low	36.1	Very low	212 Å²	212	142 Å²	142	93%	0.93	81%	0.814	S	S	*	*			trans	-165.7	157.3	133.5	-133.2	-101.4	0	0	0	111.6
420	A	34	Very low	35.9	Very low	93 Å²	93	145.7 Å²	145.7	77%	0.769	81%	0.814	S	S	*	*			trans	-145.3	144.9	175.8	0	0	0	0	0	111.5
421	G	40.4	Very low	36.3	Very low	79 Å²	79	140.2 Å²	140.2	81%	0.814	81%	0.809	S	S	*	*			trans	-149.6	134.6	178.5	0	0	0	0	0	112.7
422	K	34.9	Very low	36.2	Very low	211 Å²	211	139.3 Å²	139.3	92%	0.917	80%	0.802	S	S	*	*			trans	-127.8	121.9	-179.1	-86.4	179.3	173.5	173.1	0	112.1
423	R	38.6	Very low	36.2	Very low	251 Å²	251	142.7 Å²	142.7	95%	0.947	81%	0.812	S	S	*	*			trans	-147.6	121.3	154.8	-58.9	-174.3	-174.3	-170.3	2.3	105.3
424	R	34.7	Very low	36	Very low	210 Å²	210	145 Å²	145	79%	0.792	81%	0.814	S	S	*	*			cis	93.9	124.2	23.8	-157	-159.1	-82.6	-156.6	1.4	113.1
425	F	34.7	Very low	35.9	Very low	187 Å²	187	144.2 Å²	144.2	82%	0.82	81%	0.813	S	S	*	*			trans	74.7	150.1	-177	-51.3	-69.1	0	0	0	115.3
426	A	39.1	Very low	35.8	Very low	104 Å²	104	145.3 Å²	145.3	86%	0.86	81%	0.814	S	S	*	*			cis	-127.7	-169.5	6.9	0	0	0	0	0	113.6
427	K	33.6	Very low	35.2	Very low	199 Å²	199	145.5 Å²	145.5	87%	0.865	82%	0.818	S	S	*	*			trans	-147.8	139.4	-167.7	170	-172	176.7	-174.5	0	111.6
428	C	30.8	Very low	34.8	Very low	130 Å²	130	146.5 Å²	146.5	88%	0.878	83%	0.826	S	S	*	*			trans	155.8	152.9	132.8	-156.4	0	0	0	0	111.6
429	G	35.1	Very low	34.7	Very low	70 Å²	70	146.1 Å²	146.1	72%	0.722	82%	0.823	S	S	*	*			trans	142	79.1	173.6	0	0	0	0	0	114.5
430	N	33.4	Very low	34.7	Very low	157 Å²	157	143.5 Å²	143.5	84%	0.84	81%	0.814	S	S	*	*			trans	-116.3	125.6	179.3	-81.1	9.2	0	0	0	112.1
431	T	39.7	Very low	34.8	Very low	136 Å²	136	144.3 Å²	144.3	83%	0.834	80%	0.8	S	S	*	*			trans	-158.8	110.6	147.5	43.4	0	0	0	0	107.3
432	S	35.2	Very low	34.5	Very low	100 Å²	100	145.7 Å²	145.7	70%	0.699	79%	0.788	S	S	*	*			cis	90.6	74.3	45.1	77.8	0	0	0	0	115
433	L	37	Very low	34.6	Very low	173 Å²	173	145.1 Å²	145.1	91%	0.906	79%	0.789	S	S	*	*			trans	-149.5	80.2	152.7	-131.6	106.7	0	0	0	107.2
434	H	33.1	Very low	34.4	Very low	173 Å²	173	140.6 Å²	140.6	80%	0.801	78%	0.783	S	S	*	*				62.7	99.3	86	-132.9	-72	0	0	0	113.7
435	G	33.9	Very low	34.4	Very low	69 Å²	69	138.2 Å²	138.2	71%	0.711	78%	0.781	S	S	*	*			trans	-175.6	116.5	176.6	0	0	0	0	0	110.3
436	H	35.7	Very low	34.3	Very low	168 Å²	168	137.5 Å²	137.5	78%	0.778	78%	0.777	S	S	*	*			trans	-70.9	145.5	178.6	-75.4	-115	0	0	0	109.9
437	C	24.1	Very low	34	Very low	120 Å²	120	141.5 Å²	141.5	81%	0.811	78%	0.778	S	S	*	*			cis	71.6	73.9	36.6	-143.2	0	0	0	0	114
438	S	32.7	Very low	33.9	Very low	129 Å²	129	140.2 Å²	140.2	90%	0.902	78%	0.779	S	S	*	*			trans	-158.1	164.5	141.9	-150.1	0	0	0	0	113.1
439	S	33.1	Very low	34	Very low	98 Å²	98	139.5 Å²	139.5	69%	0.685	77%	0.771	S	S	*	*			trans	-80.7	139.2	-176.9	140.5	0	0	0	0	112.8
440	E	34	Very low	33.7	Very low	157 Å²	157	144.6 Å²	144.6	73%	0.734	78%	0.778	S	S	*	*			trans	-134.4	85.5	155.5	-161.5	166.3	-172	0	0	112.5	N442	E440-N442 VanDerWaalsContact C-N 3.33Å; E440-N442 HydrophobicContact CG-CB 4.46Å; E440-N442 PolarHBondContact O-N 3.24Å
441	K	37.1	Very low	33.9	Very low	110 Å²	110	144.5 Å²	144.5	48%	0.478	78%	0.778	S	S	.	*			trans	-80.7	75	160.6	-66.3	-176.3	-178.2	-160.3	0	109.5	A397 G398	A397-K441 VanDerWaalsContact O-CD 3.26Å; A397-K441 WeakPolarHBondContact O-CD 3.07Å; A397-K441 WeakPolarHBondContact O-CE 3.04Å; A397-K441 PolarHBondContact O-NZ 2.99Å; G398-K441 WeakPolarHBondContact O-CE 3.45Å; G398-K441 PolarHBondContact O-NZ 3.48Å
442	N	34.2	Very low	33.5	Very low	107 Å²	107	145.2 Å²	145.2	57%	0.572	78%	0.777	S	S	*	*			trans	-163.2	55.6	173.7	-108.6	-12.5	0	0	0	116.8	E440	E440-N442 VanDerWaalsContact C-N 3.33Å; E440-N442 HydrophobicContact CG-CB 4.46Å; E440-N442 PolarHBondContact O-N 3.24Å
443	E	37.8	Very low	33.5	Very low	200 Å²	200	149.7 Å²	149.7	94%	0.935	79%	0.786	S	S	*	*			trans	-100.4	20.2	174.9	-154.2	151.8	-143.7	0	0	114
444	L	32.7	Very low	33.2	Very low	156 Å²	156	149.8 Å²	149.8	82%	0.817	78%	0.782	S	S	*	*	S	Bend	trans	-118.6	21.5	-176.8	-122	170.1	0	0	0	113.8
445	Q	34.6	Very low	33.3	Very low	160 Å²	160	147.1 Å²	147.1	75%	0.748	78%	0.78	S	S	*	*	S	Bend	trans	-146.4	33.8	-178.7	-154.9	168	-27.8	0	0	115
446	K	33.6	Very low	33.1	Very low	171 Å²	171	152.7 Å²	152.7	74%	0.743	79%	0.785	S	S	*	*	S	Bend	trans	-120.3	14.7	-180	-95.7	176.7	-179.8	164.5	0	116.5
447	H	32.7	Very low	32.9	Very low	189 Å²	189	156.5 Å²	156.5	88%	0.875	79%	0.792	S	S	*	*	S	Bend	trans	-120.5	16.3	176.9	-114.6	-70.2	0	0	0	115
448	L	31.1	Very low	33.2	Very low	171 Å²	171	156.1 Å²	156.1	90%	0.895	79%	0.79	S	S	*	*	S	Bend	trans	-140.4	61.4	174	-76	178.7	0	0	0	112
449	T	33.5	Very low	33.3	Very low	115 Å²	115	155.9 Å²	155.9	71%	0.706	79%	0.785	S	S	*	*			trans	-136.6	115.5	162.1	46.1	0	0	0	0	108.4	N451	T449-N451 PolarHBondContact O-N 3.34Å
450	M	28.8	Very low	33.4	Very low	178 Å²	178	159.4 Å²	159.4	88%	0.877	80%	0.796	S	S	*	*			trans	-79.2	112.9	175	-69.3	-175	68.5	0	0	109.8
451	N	36.4	Very low	33.2	Very low	155 Å²	155	162 Å²	162	83%	0.829	80%	0.804	S	S	*	*			trans	-100.8	124.6	157	-78.2	10.2	0	0	0	108.3	T449 E453	T449-N451 PolarHBondContact O-N 3.34Å; N451-E453 PolarHBondContact O-N 3.43Å
452	N	32.2	Very low	33	Very low	151 Å²	151	160 Å²	160	81%	0.807	82%	0.816	S	S	*	*			trans	-72.7	119	169.1	-89.7	-29	0	0	0	109.3
453	E	35.6	Very low	32.8	Very low	193 Å²	193	163 Å²	163	90%	0.902	83%	0.832	S	S	*	*			trans	-158.3	128.3	148.5	-118.1	162.9	-151.6	0	0	110.7	N451	N451-E453 PolarHBondContact O-N 3.43Å
454	Q	29.6	Very low	32.8	Very low	176 Å²	176	161.6 Å²	161.6	82%	0.822	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-101.9	131	-176	-69.3	-177.5	-13.1	0	0	112
455	P	35.7	Very low	33	Very low	116 Å²	116	160.7 Å²	160.7	75%	0.753	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-87.7	121.7	147.8	-10.1	28.4	0	0	0	109.7
456	K	30.8	Very low	32.7	Very low	187 Å²	187	164.6 Å²	164.6	81%	0.813	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-66.8	131.6	-176.6	-62.7	165	-176.8	169.7	0	111.5
457	W	30.7	Very low	32.7	Very low	247 Å²	247	161.5 Å²	161.5	94%	0.936	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-100.6	126.8	160.8	-82.8	74.1	0	0	0	109.9
458	C	30.4	Very low	32.7	Very low	113 Å²	113	161.9 Å²	161.9	76%	0.764	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-81.1	132.1	-175	-65.2	0	0	0	0	112.3	L460	C458-L460 PolarHBondContact O-N 2.99Å
459	P	34	Very low	32.8	Very low	123 Å²	123	163.6 Å²	163.6	80%	0.799	84%	0.838	S	S	*	*			trans	-82.3	95.9	176.5	32.1	-33.4	0	0	0	111.5	K461	P459-K461 PolarHBondContact O-N 2.88Å
460	L	35.6	Very low	32.8	Very low	173 Å²	173	167.2 Å²	167.2	91%	0.906	84%	0.844	S	S	*	*			trans	-70.9	106.6	170.6	-97.1	165.6	0	0	0	110.9	C458 G462	C458-L460 PolarHBondContact O-N 2.99Å; L460-G462 PolarHBondContact O-N 3.26Å
461	K	30.5	Very low	33	Very low	211 Å²	211	168.9 Å²	168.9	92%	0.917	84%	0.841	S	S	*	*			trans	-69.8	95.6	172.4	-72	179	177.3	175.1	0	110.5	P459	P459-K461 PolarHBondContact O-N 2.88Å
462	G	33	Very low	32.8	Very low	69 Å²	69	173 Å²	173	71%	0.711	84%	0.844	S	S	*	*			trans	-104	109.7	172.2	0	0	0	0	0	112.3	L460 L464	L460-G462 PolarHBondContact O-N 3.26Å; G462-L464 PolarHBondContact O-N 2.8Å
463	N	30.2	Very low	32.9	Very low	170 Å²	170	175.3 Å²	175.3	91%	0.909	84%	0.842	S	S	*	*			trans	-79.8	106.6	174.5	-117	-12.9	0	0	0	110
464	L	37	Very low	32.8	Very low	169 Å²	169	174 Å²	174	89%	0.885	84%	0.84	S	S	*	*			trans	-126.2	147.6	161.4	-100.1	95.8	0	0	0	111.5	G462	G462-L464 PolarHBondContact O-N 2.8Å
465	T	36.4	Very low	32.8	Very low	137 Å²	137	172 Å²	172	84%	0.84	83%	0.834	S	S	*	*			trans	-89.1	142.4	-154.9	48	0	0	0	0	114.2	S467	T465-S467 VanDerWaalsContact C-N 3.32Å; T465-S467 PolarHBondContact O-N 3.25Å
466	R	28.9	Very low	32.9	Very low	243 Å²	243	172.1 Å²	172.1	92%	0.917	83%	0.834	S	S	*	*			trans	-71.8	74.7	-177.8	-173.5	-172.2	178.9	-172	2.6	112.3
467	S	34.5	Very low	32.8	Very low	106 Å²	106	169.2 Å²	169.2	74%	0.741	83%	0.832	S	S	*	*			trans	-71.5	134.2	172.9	-167.8	0	0	0	0	111.8	T465 F469	T465-S467 VanDerWaalsContact C-N 3.32Å; T465-S467 PolarHBondContact O-N 3.25Å; S467-F469 PolarHBondContact O-N 2.61Å
468	K	31	Very low	33.1	Very low	197 Å²	197	164.2 Å²	164.2	86%	0.857	83%	0.829	S	S	*	*			trans	-88	87.2	-172.5	-65.7	172.8	-178.7	169.2	0	111.5	K470	K468-K470 PolarHBondContact O-N 3.33Å
469	F	33.5	Very low	33.2	Very low	206 Å²	206	161.7 Å²	161.7	90%	0.904	82%	0.822	S	S	*	*			trans	-77.9	112.9	171.4	-122.7	-93.4	0	0	0	112.5	S467	S467-F469 PolarHBondContact O-N 2.61Å
470	K	33.6	Very low	32.9	Very low	192 Å²	192	166.8 Å²	166.8	84%	0.835	83%	0.827	S	S	*	*			trans	-84.3	116.6	-169.7	-168.2	175.6	-175.3	177.8	0	110.1	K468 R472	K468-K470 PolarHBondContact O-N 3.33Å; K470-R472 PolarHBondContact O-N 2.65Å; K470-R472 VanDerWaalsContact O-N 3.14Å
471	R	32.7	Very low	33.2	Very low	213 Å²	213	164.3 Å²	164.3	80%	0.804	82%	0.821	S	S	*	*			trans	-51.9	119.3	177.1	-69.8	-174.3	-178.6	-172.1	1.3	110.8
472	R	32.4	Very low	33.3	Very low	241 Å²	241	163.1 Å²	163.1	91%	0.909	82%	0.819	S	S	*	*			trans	-101.8	107.2	154.3	-71.7	-168.9	179.9	-152.3	2.1	107.9	K470	K470-R472 PolarHBondContact O-N 2.65Å; K470-R472 VanDerWaalsContact O-N 3.14Å
473	R	34	Very low	33	Very low	199 Å²	199	170.8 Å²	170.8	75%	0.751	83%	0.826	S	S	*	*			trans	-81.6	125	158.5	-56.6	-167.5	-145.9	-155.8	9.4	106.5
474	L	34.1	Very low	33.2	Very low	166 Å²	166	171 Å²	171	87%	0.869	83%	0.826	S	S	*	*			trans	-97.9	134.5	159.4	-78.1	165.5	0	0	0	107.5
475	I	30.2	Very low	32.9	Very low	134 Å²	134	169.9 Å²	169.9	69%	0.687	82%	0.821	S	S	*	*			trans	-114.8	113.1	-176.8	-57.9	171.1	0	0	0	107
476	P	37.1	Very low	32.9	Very low	118 Å²	118	168.7 Å²	168.7	77%	0.766	82%	0.819	S	S	*	*			trans	-86.5	104.9	168.5	31.2	-27.6	0	0	0	109.6
477	T	28.9	Very low	33.2	Very low	126 Å²	126	161.1 Å²	161.1	77%	0.773	80%	0.803	S	S	*	*			trans	-95.1	98.3	175.8	-57.9	0	0	0	0	110.3
478	V	36.3	Very low	33.5	Very low	142 Å²	142	163.6 Å²	163.6	86%	0.861	81%	0.808	S	S	*	*			trans	-148.3	139.4	170.3	-167.6	0	0	0	0	106.9
479	G	32.6	Very low	33.7	Very low	60 Å²	60	161 Å²	161	62%	0.619	80%	0.804	S	S	*	*			cis	152.9	91.6	-2.4	0	0	0	0	0	109.7
480	Y	29.2	Very low	34	Very low	231 Å²	231	155.9 Å²	155.9	91%	0.906	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-77.9	128.2	-177.6	-83.6	-88.4	0	0	0	112.1
481	P	40	Very low	34	Very low	121 Å²	121	151.2 Å²	151.2	79%	0.786	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-77.9	146.4	164.2	32.2	-32.6	0	0	0	111.2
482	Q	32.7	Very low	34.2	Very low	186 Å²	186	150.1 Å²	150.1	87%	0.869	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-85.4	159.7	-178	-66	172.2	-99.3	0	0	112.6
483	R	26.9	Very low	34.4	Very low	230 Å²	230	145.5 Å²	145.5	87%	0.868	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-64.1	141.7	157.7	-69.6	-174.6	-179.1	-173.7	0.7	109.8
484	L	35.5	Very low	34.3	Very low	173 Å²	173	140 Å²	140	91%	0.906	78%	0.783	S	S	*	*			trans	-110.9	129.1	153.9	-81	166.4	0	0	0	108.6
485	N	29.5	Very low	34.6	Very low	146 Å²	146	142.5 Å²	142.5	78%	0.781	79%	0.787	S	S	*	*			trans	-80.7	149.2	162	-73	-3.3	0	0	0	108.2
486	S	37	Very low	34.7	Very low	113 Å²	113	146 Å²	146	79%	0.79	80%	0.797	S	S	*	*			trans	-112.5	127.8	142.7	-168.3	0	0	0	0	108.1
487	S	36.3	Very low	34.4	Very low	84 Å²	84	143.6 Å²	143.6	59%	0.587	79%	0.794	S	S	*	*			trans	-72.4	161.5	160.8	45.2	0	0	0	0	110.3
488	N	40.8	Very low	34.5	Very low	158 Å²	158	143.5 Å²	143.5	85%	0.845	79%	0.793	S	S	*	*			trans	-154.7	154.4	134.4	-96	-22.8	0	0	0	107.8
489	D	33.9	Very low	34.4	Very low	142 Å²	142	143.8 Å²	143.8	76%	0.759	79%	0.788	S	S	*	*			trans	-102.2	-178.3	-151.5	-70.2	-82.1	0	0	0	115.6
490	A	39.2	Very low	34.4	Very low	99 Å²	99	146.1 Å²	146.1	82%	0.818	80%	0.795	S	S	*	*			trans	80.2	148.8	158.6	0	0	0	0	0	118.6
491	S	35.6	Very low	34.6	Very low	93 Å²	93	139.5 Å²	139.5	65%	0.65	78%	0.783	S	S	*	*			cis	-173.2	130.7	-23.2	-179.2	0	0	0	0	109.1
492	F	35.3	Very low	34.4	Very low	190 Å²	190	141.5 Å²	141.5	83%	0.833	79%	0.787	S	S	*	*			trans	54.7	148.6	147.7	-78.1	-121.2	0	0	0	119.6
493	N	37	Very low	34.4	Very low	144 Å²	144	136.7 Å²	136.7	77%	0.77	79%	0.787	S	S	*	*			cis	-155.9	177.3	-16.3	-155.1	-11.8	0	0	0	109.1
494	A	32.8	Very low	34.6	Very low	84 Å²	84	129.7 Å²	129.7	69%	0.694	79%	0.787	S	S	*	*			trans	-76.9	153.8	-172.1	0	0	0	0	0	116.4
495	K	38.8	Very low	34.6	Very low	218 Å²	218	126.2 Å²	126.2	95%	0.948	78%	0.783	S	S	*	*			trans	-157	174.6	131.3	-118.4	170.7	-175.3	176.4	0	113.4
496	K	32.7	Very low	34.9	Very low	207 Å²	207	126.1 Å²	126.1	90%	0.9	79%	0.788	S	S	*	*			trans	-147.3	134.1	-159.4	174.5	-175.2	177.1	-176.3	0	111.1
497	G	31.7	Very low	35	Very low	68 Å²	68	127 Å²	127	70%	0.701	79%	0.788	S	S	*	*			trans	85.8	164.4	176.3	0	0	0	0	0	114.7
498	T	31.5	Very low	35.1	Very low	124 Å²	124	127.4 Å²	127.4	76%	0.761	80%	0.796	S	S	*	*			cis	-165.3	131.6	-3.9	-83.7	0	0	0	0	110.3
499	I	32.8	Very low	35	Very low	148 Å²	148	125.2 Å²	125.2	76%	0.759	79%	0.793	S	S	*	*			trans	44.3	139.6	149.4	-61.2	170.6	0	0	0	121.4
500	S	33.7	Very low	35.3	Very low	109 Å²	109	122.6 Å²	122.6	76%	0.762	79%	0.791	S	S	*	*			trans	72.6	155.7	160.9	-78.7	0	0	0	0	119.1
501	S	33.9	Very low	35.3	Very low	93 Å²	93	122.8 Å²	122.8	65%	0.65	79%	0.787	S	S	*	*			cis	-170.3	148.1	-24	51.2	0	0	0	0	111.6
502	N	34.8	Very low	35.6	Very low	162 Å²	162	123.4 Å²	123.4	87%	0.866	79%	0.791	S	S	*	*			trans	47.3	122.7	153.2	-63.8	1.4	0	0	0	121.7
503	G	32.2	Very low	35.7	Very low	86 Å²	86	120.9 Å²	120.9	89%	0.887	79%	0.786	S	S	*	*				108.8	134.3	115	0	0	0	0	0	118.4
504	G	31.3	Very low	35.6	Very low	83 Å²	83	121.9 Å²	121.9	86%	0.856	79%	0.785	S	S	*	*			trans	142.1	112.8	172	0	0	0	0	0	111.9
505	A	35.7	Very low	35.8	Very low	100 Å²	100	124.8 Å²	124.8	83%	0.826	79%	0.788	S	S	*	*			trans	-148.4	138.1	-177.3	0	0	0	0	0	112.7
506	T	36.4	Very low	35.8	Very low	143 Å²	143	121.8 Å²	121.8	88%	0.877	78%	0.782	S	S	*	*			trans	-158.9	165.3	164.6	41.7	0	0	0	0	109.1
507	V	37.7	Very low	36.1	Very low	133 Å²	133	117.8 Å²	117.8	81%	0.806	78%	0.777	S	S	*	*				-170	163	-59.2	130.8	0	0	0	0	108.3
508	A	39.3	Very low	36	Very low	91 Å²	91	118 Å²	118	75%	0.752	78%	0.779	S	S	*	*			trans	80.3	146.3	168.8	0	0	0	0	0	117.1
509	S	39.2	Very low	36.1	Very low	112 Å²	112	116.9 Å²	116.9	78%	0.783	78%	0.776	S	S	*	*			cis	-158.8	152.8	-8.9	-134.8	0	0	0	0	113.8
510	A	39.2	Very low	36.2	Very low	87 Å²	87	116.4 Å²	116.4	72%	0.719	78%	0.781	S	S	*	*			trans	50.4	149.2	146.5	0	0	0	0	0	120.8
511	S	40.4	Very low	36.7	Very low	104 Å²	104	116.9 Å²	116.9	73%	0.727	78%	0.779	S	S	*	*			cis	-150.8	141.7	24.3	-59.1	0	0	0	0	113.8
512	S	40.8	Very low	37.4	Very low	105 Å²	105	114.1 Å²	114.1	73%	0.734	76%	0.76	S	S	*	*			trans	57.1	141.5	130.7	-56	0	0	0	0	122.8
513	L	37.9	Very low	38	Very low	137 Å²	137	107.8 Å²	107.8	72%	0.717	73%	0.73	S	S	*	*			cis	-163.3	127.1	-6.1	-107.5	168.5	0	0	0	110.1
514	H	35.9	Very low	38.8	Very low	165 Å²	165	110.9 Å²	110.9	76%	0.764	72%	0.719	S	S	*	*			trans	51.1	149.4	131.7	-78.8	-134.1	0	0	0	122.7
515	L	36	Very low	39.8	Very low	145 Å²	145	112.2 Å²	112.2	76%	0.759	70%	0.703	S	S	*	*			cis	-117.1	-142.8	0.1	-60.9	82.4	0	0	0	109.5
516	L	39.8	Very low	41	Very low	155 Å²	155	110.4 Å²	110.4	81%	0.812	68%	0.684	S	S	*	*			cis	-152.9	157.1	-2.9	-120.1	148.6	0	0	0	106.9
517	P	37.1	Very low	42.1	Very low	123 Å²	123	108 Å²	108	80%	0.799	67%	0.669	S	S	*	*			trans	-115.2	157.4	-158.7	40	-30.6	0	0	0	117.6
518	G	31.2	Very low	43.4	Very low	72 Å²	72	108.5 Å²	108.5	74%	0.742	66%	0.661	S	S	*	*			trans	176.6	104.4	165.9	0	0	0	0	0	116.9
519	S	33.7	Very low	44.7	Very low	101 Å²	101	109.3 Å²	109.3	71%	0.706	65%	0.651	S	S	*	*			trans	25.9	100.2	157.6	58.2	0	0	0	0	120.5
520	T	33.2	Very low	45.9	Very low	138 Å²	138	111.4 Å²	111.4	85%	0.847	64%	0.642	S	S	*	*				63.3	91.7	83.3	65.7	0	0	0	0	117.4
521	T	44.7	Very low	47.1	Very low	119 Å²	119	111.3 Å²	111.3	73%	0.73	63%	0.629	S	S	*	*			trans	-143.5	-12.5	175.3	51.9	0	0	0	0	118.2	A523	T521-A523 PolarHBondContact O-N 2.77Å
522	S	48.4	Very low	48.5	Very low	36 Å²	36	109.7 Å²	109.7	25%	0.252	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.4	7.8	-168.5	52.6	0	0	0	0	116.6	S287 G288 K524	S287-S522 PolarHBondContact OG-OG 3.04Å; S287-S522 VanDerWaalsContact OG-OG 3.09Å; G288-S522 VanDerWaalsContact CA-O 3.29Å; G288-S522 WeakPolarHBondContact CA-O 3.27Å; G288-S522 VanDerWaalsContact CA-OG 3.29Å; G288-S522 WeakPolarHBondContact CA-OG 3.28Å; G288-S522 PolarHBondContact N-OG 3.18Å; S522-K524 VanDerWaalsContact C-N 3.27Å; S522-K524 PolarHBondContact O-N 2.89Å
523	A	48.8	Very low	50	Low	28 Å²	28	109.3 Å²	109.3	23%	0.231	60%	0.602	C	S	.	*	T	Hydrogen-bonded Turn	trans	-56	-37.4	172.2	0	0	0	0	0	114.2	A289 T521	A289-A523 VanDerWaalsContact O-CB 3.27Å; A289-A523 WeakPolarHBondContact O-CB 3.25Å; T521-A523 PolarHBondContact O-N 2.77Å
524	K	49.3	Very low	51.5	Low	152 Å²	152	111 Å²	111	66%	0.661	60%	0.599	S	S	*	*	H	α-helix	trans	-76.9	-35	-159.6	-67.2	178.4	177.9	175.9	0	114	S522 S526 V527 F528	S522-K524 VanDerWaalsContact C-N 3.27Å; S522-K524 PolarHBondContact O-N 2.89Å; K524-S526 VanDerWaalsContact C-N 3.3Å; K524-S526 PolarHBondContact O-N 2.98Å; K524-V527 PolarHBondContact O-N 3.1Å; K524-V527 VanDerWaalsContact O-N 3.11Å; K524-F528 WeakPolarHBondContact O-CD2 3.27Å; K524-F528 PolarHBondContact O-N 2.8Å
525	E	51.8	Low	53.1	Low	111 Å²	111	106.3 Å²	106.3	52%	0.519	58%	0.579	S	S	.	*	H	α-helix	trans	-66.8	-30.4	-172.2	-60.5	-177	140.1	0	0	113	V527 F528 I529	E525-V527 VanDerWaalsContact C-N 3.28Å; E525-V527 PolarHBondContact O-N 3Å; E525-F528 PolarHBondContact O-N 3.17Å; E525-I529 WeakPolarHBondContact O-CG1 3.38Å; E525-I529 PolarHBondContact O-N 2.86Å
526	S	60.4	Low	54.5	Low	61 Å²	61	103.6 Å²	103.6	43%	0.427	56%	0.561	S	S	.	*	H	α-helix	trans	-62.6	-35.3	175.1	-158.6	0	0	0	0	112.4	K524 R530	K524-S526 VanDerWaalsContact C-N 3.3Å; K524-S526 PolarHBondContact O-N 2.98Å; S526-R530 WeakPolarHBondContact O-CB 3.02Å; S526-R530 PolarHBondContact O-N 2.7Å; S526-R530 PolarHBondContact OG-NH2 2.91Å
527	V	60.2	Low	55.9	Low	93 Å²	93	104 Å²	104	56%	0.564	56%	0.556	S	S	*	*	H	α-helix	trans	-72.1	-44.9	175.6	-177.6	0	0	0	0	109.8	K524 E525 I529 R530 L531	K524-V527 PolarHBondContact O-N 3.1Å; K524-V527 VanDerWaalsContact O-N 3.11Å; E525-V527 VanDerWaalsContact C-N 3.28Å; E525-V527 PolarHBondContact O-N 3Å; V527-I529 PolarHBondContact O-N 2.6Å; V527-R530 PolarHBondContact O-N 3.35Å; V527-L531 WeakPolarHBondContact O-CB 3.12Å; V527-L531 PolarHBondContact O-N 3.48Å
528	F	65.4	Low	57	Low	144 Å²	144	102.3 Å²	102.3	63%	0.632	54%	0.54	S	S	*	.	H	α-helix	trans	-63.4	-40.6	177.7	-76.6	-75	0	0	0	113.2	K524 E525 L531 N532	K524-F528 WeakPolarHBondContact O-CD2 3.27Å; K524-F528 PolarHBondContact O-N 2.8Å; E525-F528 PolarHBondContact O-N 3.17Å; F528-L531 PolarHBondContact O-N 3.15Å; F528-N532 WeakPolarHBondContact O-CB 3.47Å; F528-N532 PolarHBondContact O-N 3.01Å
529	I	66.4	Low	58.6	Low	107 Å²	107	104.2 Å²	104.2	55%	0.549	53%	0.529	S	S	.	.	H	α-helix	trans	-68.6	-40.6	175.6	-67.3	169.6	0	0	0	111.1	E525 V527 L531 N532 N533	E525-I529 WeakPolarHBondContact O-CG1 3.38Å; E525-I529 PolarHBondContact O-N 2.86Å; V527-I529 PolarHBondContact O-N 2.6Å; I529-L531 VanDerWaalsContact C-N 3.34Å; I529-N532 PolarHBondContact O-N 3.26Å; I529-N533 WeakPolarHBondContact O-CB 3.14Å; I529-N533 PolarHBondContact O-N 2.91Å; I529-N533 PolarHBondContact O-ND2 3.34Å
530	R	62.7	Low	60.1	Low	157 Å²	157	104.3 Å²	104.3	59%	0.592	52%	0.521	S	S	*	.	H	α-helix	trans	-71.8	-29.1	177.9	-162.9	179.5	-55.4	152.4	9.4	112.4	S526 V527 R534	S526-R530 WeakPolarHBondContact O-CB 3.02Å; S526-R530 PolarHBondContact O-N 2.7Å; S526-R530 PolarHBondContact OG-NH2 2.91Å; V527-R530 PolarHBondContact O-N 3.35Å; R530-R534 VanDerWaalsContact O-CB 3.3Å; R530-R534 WeakPolarHBondContact O-CB 3.09Å; R530-R534 VanDerWaalsContact O-CG 3.32Å; R530-R534 WeakPolarHBondContact O-CG 3.39Å; R530-R534 PolarHBondContact O-N 3.41Å; R530-R534 VanDerWaalsContact O-N 3.11Å
531	L	64.9	Low	61.7	Low	84 Å²	84	101.1 Å²	101.1	44%	0.44	50%	0.498	S	S	.	.	H	α-helix	trans	-74.4	-44.8	171.3	-167.9	72.2	0	0	0	110.5	V527 F528 I529 R534 I535	V527-L531 WeakPolarHBondContact O-CB 3.12Å; V527-L531 PolarHBondContact O-N 3.48Å; F528-L531 PolarHBondContact O-N 3.15Å; I529-L531 VanDerWaalsContact C-N 3.34Å; L531-R534 CarbonylContact O-C 3.52Å; L531-R534 WeakPolarHBondContact O-CA 3.22Å; L531-R534 WeakPolarHBondContact O-CB 3.45Å; L531-R534 PolarHBondContact O-N 3.49Å; L531-R534 VanDerWaalsContact O-N 3.11Å; L531-I535 HydrophobicContact CD2-CD1 4.12Å; L531-I535 HydrophobicContact CG-CD1 3.8Å; L531-I535 HydrophobicContact CG-CG1 4.36Å; L531-I535 VanDerWaalsContact O-CB 3.32Å; L531-I535 WeakPolarHBondContact O-CB 3.45Å; L531-I535 VanDerWaalsContact O-CG1 3.23Å; L531-I535 WeakPolarHBondContact O-CG1 3.18Å; L531-I535 PolarHBondContact O-N 3.28Å
532	N	70.5	Confident	63	Low	70 Å²	70	100 Å²	100	37%	0.374	49%	0.491	S	S	.	.	H	α-helix	trans	-62.3	-45.9	176.3	-170.9	-20.6	0	0	0	110.9	F528 I529 R534 I535 K536	F528-N532 WeakPolarHBondContact O-CB 3.47Å; F528-N532 PolarHBondContact O-N 3.01Å; I529-N532 PolarHBondContact O-N 3.26Å; N532-R534 VanDerWaalsContact C-N 3.28Å; N532-R534 PolarHBondContact O-N 3.4Å; N532-I535 CarbonylContact O-C 3.56Å; N532-I535 PolarHBondContact O-N 2.91Å; N532-I535 VanDerWaalsContact O-N 3.08Å; N532-K536 WeakPolarHBondContact O-CB 3.44Å; N532-K536 WeakPolarHBondContact O-CG 3.48Å; N532-K536 PolarHBondContact O-N 3.18Å; N532-K536 VanDerWaalsContact OD1-CE 3.23Å; N532-K536 WeakPolarHBondContact OD1-CE 3.36Å
533	N	71.4	Confident	64.2	Low	98 Å²	98	100.8 Å²	100.8	52%	0.524	50%	0.497	S	S	.	.	H	α-helix	trans	-65.5	-28.9	172.9	-72.1	-20.4	0	0	0	113.1	I529 K537	I529-N533 WeakPolarHBondContact O-CB 3.14Å; I529-N533 PolarHBondContact O-N 2.91Å; I529-N533 PolarHBondContact O-ND2 3.34Å; N533-K537 WeakPolarHBondContact O-CB 3.3Å; N533-K537 PolarHBondContact O-N 3.46Å; N533-K537 VanDerWaalsContact O-N 3.11Å
534	R	69	Low	65.3	Low	172 Å²	172	100.6 Å²	100.6	65%	0.649	49%	0.492	S	S	*	.	H	α-helix	trans	-73.6	-36.3	168.9	-87.9	177.8	159.6	-170.8	-5.2	112.4	R530 L531 N532 K537 L538	R530-R534 VanDerWaalsContact O-CB 3.3Å; R530-R534 WeakPolarHBondContact O-CB 3.09Å; R530-R534 VanDerWaalsContact O-CG 3.32Å; R530-R534 WeakPolarHBondContact O-CG 3.39Å; R530-R534 PolarHBondContact O-N 3.41Å; R530-R534 VanDerWaalsContact O-N 3.11Å; L531-R534 CarbonylContact O-C 3.52Å; L531-R534 WeakPolarHBondContact O-CA 3.22Å; L531-R534 WeakPolarHBondContact O-CB 3.45Å; L531-R534 PolarHBondContact O-N 3.49Å; L531-R534 VanDerWaalsContact O-N 3.11Å; N532-R534 VanDerWaalsContact C-N 3.28Å; N532-R534 PolarHBondContact O-N 3.4Å; R534-K537 PolarHBondContact O-N 3.15Å; R534-L538 WeakPolarHBondContact O-CB 3.4Å; R534-L538 WeakPolarHBondContact O-CD1 3.48Å; R534-L538 WeakPolarHBondContact O-CG 3.47Å; R534-L538 PolarHBondContact O-N 3.44Å
535	I	69.7	Low	66.7	Low	67 Å²	67	95.2 Å²	95.2	34%	0.344	47%	0.473	S	S	.	.	H	α-helix	trans	-67.2	-56.3	177.5	-77.5	166.9	0	0	0	108.1	L531 N532 K537 L538 E539	L531-I535 HydrophobicContact CD2-CD1 4.12Å; L531-I535 HydrophobicContact CG-CD1 3.8Å; L531-I535 HydrophobicContact CG-CG1 4.36Å; L531-I535 VanDerWaalsContact O-CB 3.32Å; L531-I535 WeakPolarHBondContact O-CB 3.45Å; L531-I535 VanDerWaalsContact O-CG1 3.23Å; L531-I535 WeakPolarHBondContact O-CG1 3.18Å; L531-I535 PolarHBondContact O-N 3.28Å; N532-I535 CarbonylContact O-C 3.56Å; N532-I535 PolarHBondContact O-N 2.91Å; N532-I535 VanDerWaalsContact O-N 3.08Å; I535-K537 VanDerWaalsContact C-N 3.28Å; I535-K537 PolarHBondContact O-N 2.96Å; I535-L538 CarbonylContact O-C 3.56Å; I535-L538 WeakPolarHBondContact O-CA 3.27Å; I535-L538 WeakPolarHBondContact O-CB 3.27Å; I535-L538 PolarHBondContact O-N 3.24Å; I535-E539 HydrophobicContact CG2-CG 4.12Å; I535-E539 WeakPolarHBondContact CG2-OE1 3.4Å; I535-E539 WeakPolarHBondContact CG2-OE2 3.31Å; I535-E539 WeakPolarHBondContact O-CB 3.3Å; I535-E539 WeakPolarHBondContact O-CG 3.37Å; I535-E539 PolarHBondContact O-N 3.06Å
536	K	66.3	Low	68	Low	88 Å²	88	93.1 Å²	93.1	38%	0.383	47%	0.471	S	S	.	.	H	α-helix	trans	-50.8	-44.1	171.3	-69.7	-178.6	175.4	-174.6	0	112.5	N532 L538 E539 I540	N532-K536 WeakPolarHBondContact O-CB 3.44Å; N532-K536 WeakPolarHBondContact O-CG 3.48Å; N532-K536 PolarHBondContact O-N 3.18Å; N532-K536 VanDerWaalsContact OD1-CE 3.23Å; N532-K536 WeakPolarHBondContact OD1-CE 3.36Å; K536-L538 PolarHBondContact O-N 3.15Å; K536-E539 WeakPolarHBondContact CA-OE2 3.27Å; K536-E539 PolarHBondContact N-OE2 3.37Å; K536-I540 VanDerWaalsContact O-CB 3.31Å; K536-I540 WeakPolarHBondContact O-CB 3.39Å; K536-I540 WeakPolarHBondContact O-CD1 3.33Å; K536-I540 WeakPolarHBondContact O-CG1 3.27Å; K536-I540 PolarHBondContact O-N 3.25Å
537	K	67.9	Low	69	Low	163 Å²	163	94.8 Å²	94.8	71%	0.709	47%	0.472	S	S	*	.	H	α-helix	trans	-70.2	-27.1	175.5	-171.9	166.6	-177.3	172.3	0	113.9	N533 R534 I535 N541	N533-K537 WeakPolarHBondContact O-CB 3.3Å; N533-K537 PolarHBondContact O-N 3.46Å; N533-K537 VanDerWaalsContact O-N 3.11Å; R534-K537 PolarHBondContact O-N 3.15Å; I535-K537 VanDerWaalsContact C-N 3.28Å; I535-K537 PolarHBondContact O-N 2.96Å; K537-N541 VanDerWaalsContact O-CB 3.25Å; K537-N541 WeakPolarHBondContact O-CB 3.43Å; K537-N541 PolarHBondContact O-N 3.06Å
538	L	60.1	Low	70.1	Confident	88 Å²	88	92.6 Å²	92.6	46%	0.461	45%	0.454	S	S	.	.	H	α-helix	trans	-80.9	-37.3	173.9	-78.8	165	0	0	0	111.8	R534 I535 K536 N541 V542	R534-L538 WeakPolarHBondContact O-CB 3.4Å; R534-L538 WeakPolarHBondContact O-CD1 3.48Å; R534-L538 WeakPolarHBondContact O-CG 3.47Å; R534-L538 PolarHBondContact O-N 3.44Å; I535-L538 CarbonylContact O-C 3.56Å; I535-L538 WeakPolarHBondContact O-CA 3.27Å; I535-L538 WeakPolarHBondContact O-CB 3.27Å; I535-L538 PolarHBondContact O-N 3.24Å; K536-L538 PolarHBondContact O-N 3.15Å; L538-N541 CarbonylContact O-C 3.59Å; L538-N541 PolarHBondContact O-N 3.48Å; L538-V542 VanDerWaalsContact O-CB 3.29Å; L538-V542 WeakPolarHBondContact O-CB 3.42Å; L538-V542 WeakPolarHBondContact O-CG2 3.45Å; L538-V542 PolarHBondContact O-N 2.87Å
539	E	65.7	Low	70.9	Confident	111 Å²	111	90.9 Å²	90.9	52%	0.519	45%	0.451	S	S	.	.	H	α-helix	trans	-66	-46.2	175.2	-71.7	164.1	158.7	0	0	110.3	I535 K536 N541 V542 S543	I535-E539 HydrophobicContact CG2-CG 4.12Å; I535-E539 WeakPolarHBondContact CG2-OE1 3.4Å; I535-E539 WeakPolarHBondContact CG2-OE2 3.31Å; I535-E539 WeakPolarHBondContact O-CB 3.3Å; I535-E539 WeakPolarHBondContact O-CG 3.37Å; I535-E539 PolarHBondContact O-N 3.06Å; K536-E539 WeakPolarHBondContact CA-OE2 3.27Å; K536-E539 PolarHBondContact N-OE2 3.37Å; E539-N541 VanDerWaalsContact C-N 3.28Å; E539-N541 PolarHBondContact O-N 3.43Å; E539-V542 PolarHBondContact O-N 3.45Å; E539-S543 WeakPolarHBondContact O-CB 3.5Å; E539-S543 PolarHBondContact O-N 2.79Å; E539-S543 PolarHBondContact O-OG 2.73Å
540	I	66.1	Low	71.6	Confident	103 Å²	103	88.3 Å²	88.3	53%	0.528	44%	0.442	S	S	.	.	H	α-helix	trans	-59.4	-39.2	170.6	-69.4	165.7	0	0	0	110.7	K536 S543 L544	K536-I540 VanDerWaalsContact O-CB 3.31Å; K536-I540 WeakPolarHBondContact O-CB 3.39Å; K536-I540 WeakPolarHBondContact O-CD1 3.33Å; K536-I540 WeakPolarHBondContact O-CG1 3.27Å; K536-I540 PolarHBondContact O-N 3.25Å; I540-S543 PolarHBondContact O-OG 3.07Å; I540-S543 VanDerWaalsContact O-OG 3.1Å; I540-L544 HydrophobicContact CG2-CD1 3.8Å; I540-L544 HydrophobicContact CG2-CG 4.47Å; I540-L544 WeakPolarHBondContact O-CB 3.08Å; I540-L544 WeakPolarHBondContact O-CD1 3.43Å; I540-L544 WeakPolarHBondContact O-CG 3.31Å; I540-L544 PolarHBondContact O-N 2.61Å
541	N	65.9	Low	72.6	Confident	71 Å²	71	84.5 Å²	84.5	38%	0.38	43%	0.431	S	S	.	.	H	α-helix	trans	-75.8	-28.7	178.3	-162	20.2	0	0	0	113	F66 K537 L538 E539 S545	F66-N541 WeakPolarHBondContact CZ-OD1 3.09Å; K537-N541 VanDerWaalsContact O-CB 3.25Å; K537-N541 WeakPolarHBondContact O-CB 3.43Å; K537-N541 PolarHBondContact O-N 3.06Å; L538-N541 CarbonylContact O-C 3.59Å; L538-N541 PolarHBondContact O-N 3.48Å; E539-N541 VanDerWaalsContact C-N 3.28Å; E539-N541 PolarHBondContact O-N 3.43Å; N541-S545 WeakPolarHBondContact O-CB 3.48Å; N541-S545 PolarHBondContact O-N 2.91Å; N541-S545 PolarHBondContact O-OG 2.76Å
542	V	71.1	Confident	73.4	Confident	95 Å²	95	83.3 Å²	83.3	58%	0.576	43%	0.425	S	S	*	.	H	α-helix	trans	-76.3	-38.6	174.5	164.6	0	0	0	0	110.8	L538 E539 S545 S546	L538-V542 VanDerWaalsContact O-CB 3.29Å; L538-V542 WeakPolarHBondContact O-CB 3.42Å; L538-V542 WeakPolarHBondContact O-CG2 3.45Å; L538-V542 PolarHBondContact O-N 2.87Å; E539-V542 PolarHBondContact O-N 3.45Å; V542-S545 WeakPolarHBondContact CA-OG 3.34Å; V542-S545 PolarHBondContact O-OG 3.46Å; V542-S546 WeakPolarHBondContact O-CB 3.47Å; V542-S546 PolarHBondContact O-N 2.74Å
543	S	74.5	Confident	74.1	Confident	53 Å²	53	83.3 Å²	83.3	37%	0.371	43%	0.43	S	S	.	.	H	α-helix	trans	-70.1	-42.2	173.4	68.2	0	0	0	0	111.2	E539 I540 S546 Q547	E539-S543 WeakPolarHBondContact O-CB 3.5Å; E539-S543 PolarHBondContact O-N 2.79Å; E539-S543 PolarHBondContact O-OG 2.73Å; I540-S543 PolarHBondContact O-OG 3.07Å; I540-S543 VanDerWaalsContact O-OG 3.1Å; S543-S546 PolarHBondContact O-N 2.89Å; S543-Q547 WeakPolarHBondContact O-CB 3.36Å; S543-Q547 VanDerWaalsContact O-CG 3.27Å; S543-Q547 WeakPolarHBondContact O-CG 3.22Å; S543-Q547 PolarHBondContact O-N 2.65Å
544	L	72.7	Confident	74.7	Confident	24 Å²	24	86.4 Å²	86.4	13%	0.126	44%	0.435	C	S	.	.	H	α-helix	trans	-61.2	-44.3	172.1	-76.2	166.8	0	0	0	112.2	F66 W69 T70 I540 Q547 Y548	F66-L544 HydrophobicContact CZ-CB 4.45Å; W69-L544 HydrophobicContact CH2-CD2 4.23Å; W69-L544 WeakPolarHBondContact CH2-O 3.47Å; W69-L544 HydrophobicContact CZ3-CB 4.23Å; W69-L544 HydrophobicContact CZ3-CD2 3.86Å; W69-L544 VanDerWaalsContact CZ3-O 3.28Å; W69-L544 WeakPolarHBondContact CZ3-O 3.47Å; T70-L544 HydrophobicContact CG2-CD1 4.12Å; I540-L544 HydrophobicContact CG2-CD1 3.8Å; I540-L544 HydrophobicContact CG2-CG 4.47Å; I540-L544 WeakPolarHBondContact O-CB 3.08Å; I540-L544 WeakPolarHBondContact O-CD1 3.43Å; I540-L544 WeakPolarHBondContact O-CG 3.31Å; I540-L544 PolarHBondContact O-N 2.61Å; L544-Q547 PolarHBondContact O-N 2.65Å; L544-Y548 WeakPolarHBondContact O-CB 3.49Å; L544-Y548 PolarHBondContact O-N 3.08Å
545	S	77.3	Confident	75.4	Confident	39 Å²	39	80.5 Å²	80.5	27%	0.273	42%	0.418	S	S	.	.	H	α-helix	trans	-71	-31.6	176.6	52.5	0	0	0	0	113.2	N541 V542 L549	N541-S545 WeakPolarHBondContact O-CB 3.48Å; N541-S545 PolarHBondContact O-N 2.91Å; N541-S545 PolarHBondContact O-OG 2.76Å; V542-S545 WeakPolarHBondContact CA-OG 3.34Å; V542-S545 PolarHBondContact O-OG 3.46Å; S545-L549 WeakPolarHBondContact O-CB 3.38Å; S545-L549 VanDerWaalsContact O-CG 3.26Å; S545-L549 WeakPolarHBondContact O-CG 3.39Å; S545-L549 PolarHBondContact O-N 2.59Å
546	S	80.5	Confident	75.8	Confident	67 Å²	67	84.3 Å²	84.3	47%	0.469	43%	0.429	S	S	.	.	H	α-helix	trans	-65.9	-42.2	170.1	-174.9	0	0	0	0	112.1	V542 S543 L549 S550	V542-S546 WeakPolarHBondContact O-CB 3.47Å; V542-S546 PolarHBondContact O-N 2.74Å; S543-S546 PolarHBondContact O-N 2.89Å; S546-L549 PolarHBondContact O-N 2.71Å; S546-S550 VanDerWaalsContact O-CB 3.28Å; S546-S550 WeakPolarHBondContact O-CB 3.46Å; S546-S550 PolarHBondContact O-N 3.41Å; S546-S550 PolarHBondContact O-OG 2.91Å
547	Q	81.4	Confident	76.7	Confident	97 Å²	97	86.1 Å²	86.1	45%	0.453	44%	0.437	S	S	.	.	H	α-helix	trans	-63.8	-45.5	173.4	-75.1	175.4	10.9	0	0	111.5	W69 S543 L544 S550 E551	W69-Q547 HydrophobicContact CH2-CB 3.67Å; W69-Q547 HydrophobicContact CZ2-CB 4.2Å; S543-Q547 WeakPolarHBondContact O-CB 3.36Å; S543-Q547 VanDerWaalsContact O-CG 3.27Å; S543-Q547 WeakPolarHBondContact O-CG 3.22Å; S543-Q547 PolarHBondContact O-N 2.65Å; L544-Q547 PolarHBondContact O-N 2.65Å; Q547-S550 WeakPolarHBondContact O-CB 3.33Å; Q547-S550 PolarHBondContact O-N 2.91Å; Q547-E551 WeakPolarHBondContact O-CB 3.34Å; Q547-E551 PolarHBondContact O-N 3.35Å
548	Y	83.2	Confident	77.6	Confident	46 Å²	46	85.3 Å²	85.3	18%	0.18	43%	0.429	C	S	.	.	H	α-helix	trans	-59.6	-47.6	175.2	175	-102.4	0	0	0	111.9	Q64 F66 W69 L544 S550 E551 L552	Q64-Y548 PolarHBondContact O-OH 3.4Å; Q64-Y548 VanDerWaalsContact O-OH 3.07Å; F66-Y548 HydrophobicContact CB-CE1 4.32Å; F66-Y548 AromaticContact CD2-CD1 3.84Å; F66-Y548 HydrophobicContact CD2-CD1 3.84Å; F66-Y548 HydrophobicContact CD2-CD2 4.23Å; F66-Y548 HydrophobicContact CD2-CE1 4.45Å; F66-Y548 AromaticContact CD2-CG 3.71Å; F66-Y548 HydrophobicContact CD2-CG 3.71Å; F66-Y548 HydrophobicContact CE2-CG 4.39Å; W69-Y548 HydrophobicContact CB-CD2 3.92Å; W69-Y548 HydrophobicContact CB-CE2 4.06Å; W69-Y548 AromaticContact CD2-CD2 3.68Å; W69-Y548 HydrophobicContact CD2-CD2 3.68Å; W69-Y548 HydrophobicContact CD2-CG 4.39Å; W69-Y548 HydrophobicContact CE3-CD2 4.06Å; W69-Y548 HydrophobicContact CE3-CG 4.4Å; W69-Y548 AromaticContact CG-CD2 3.61Å; W69-Y548 HydrophobicContact CG-CD2 3.61Å; W69-Y548 HydrophobicContact CG-CE2 4.15Å; L544-Y548 WeakPolarHBondContact O-CB 3.49Å; L544-Y548 PolarHBondContact O-N 3.08Å; Y548-S550 VanDerWaalsContact C-N 3.3Å; Y548-S550 PolarHBondContact O-N 2.83Å; Y548-E551 PolarHBondContact O-N 2.84Å; Y548-L552 HydrophobicContact CE1-CD2 4.19Å; Y548-L552 WeakPolarHBondContact O-CB 3.49Å; Y548-L552 PolarHBondContact O-N 3.05Å
549	L	82.4	Confident	78.5	Confident	109 Å²	109	85.8 Å²	85.8	57%	0.571	43%	0.429	S	S	*	.	H	α-helix	trans	-63	-37.1	175.8	-72.7	172.3	0	0	0	112	S545 S546 S553	S545-L549 WeakPolarHBondContact O-CB 3.38Å; S545-L549 VanDerWaalsContact O-CG 3.26Å; S545-L549 WeakPolarHBondContact O-CG 3.39Å; S545-L549 PolarHBondContact O-N 2.59Å; S546-L549 PolarHBondContact O-N 2.71Å; L549-S553 WeakPolarHBondContact O-CB 3.48Å; L549-S553 PolarHBondContact O-N 3.25Å
550	S	81.4	Confident	79.2	Confident	52 Å²	52	84.6 Å²	84.6	36%	0.364	42%	0.424	S	S	.	.	H	α-helix	trans	-65.3	-45.8	175.1	-62.9	0	0	0	0	111.8	S546 Q547 Y548 S553 R554	S546-S550 VanDerWaalsContact O-CB 3.28Å; S546-S550 WeakPolarHBondContact O-CB 3.46Å; S546-S550 PolarHBondContact O-N 3.41Å; S546-S550 PolarHBondContact O-OG 2.91Å; Q547-S550 WeakPolarHBondContact O-CB 3.33Å; Q547-S550 PolarHBondContact O-N 2.91Å; Y548-S550 VanDerWaalsContact C-N 3.3Å; Y548-S550 PolarHBondContact O-N 2.83Å; S550-S553 PolarHBondContact O-N 2.71Å; S550-S553 PolarHBondContact O-OG 2.84Å; S550-R554 VanDerWaalsContact O-CG 3.28Å; S550-R554 WeakPolarHBondContact O-CG 3.43Å; S550-R554 PolarHBondContact O-N 3.25Å; S550-R554 VanDerWaalsContact O-N 3.09Å
551	E	83.1	Confident	80.3	Confident	77 Å²	77	83.2 Å²	83.2	36%	0.36	42%	0.416	S	S	.	.	H	α-helix	trans	-67.9	-42.9	177.5	-171.6	149.7	-120.5	0	0	111.7	W69 Q547 Y548 S553 R554 T555	W69-E551 PolarHBondContact NE1-OE2 2.82Å; Q547-E551 WeakPolarHBondContact O-CB 3.34Å; Q547-E551 PolarHBondContact O-N 3.35Å; Y548-E551 PolarHBondContact O-N 2.84Å; E551-S553 VanDerWaalsContact C-N 3.34Å; E551-S553 PolarHBondContact O-N 2.72Å; E551-R554 WeakPolarHBondContact O-CB 3.46Å; E551-R554 PolarHBondContact O-N 3.32Å; E551-R554 VanDerWaalsContact O-N 3.13Å; E551-T555 PolarHBondContact O-N 2.04Å; E551-T555 PolarHBondContact O-OG1 3.39Å
552	L	82.4	Confident	81.2	Confident	60 Å²	60	84.9 Å²	84.9	31%	0.314	42%	0.421	S	S	.	.	H	α-helix	trans	-57.5	-43.5	172.3	-178.5	64.2	0	0	0	111.8	L63 Y548 R554 T555 Y556	L63-L552 HydrophobicContact CD2-CD1 3.81Å; Y548-L552 HydrophobicContact CE1-CD2 4.19Å; Y548-L552 WeakPolarHBondContact O-CB 3.49Å; Y548-L552 PolarHBondContact O-N 3.05Å; L552-R554 VanDerWaalsContact C-N 3.34Å; L552-R554 PolarHBondContact O-N 3.36Å; L552-T555 PolarHBondContact O-N 3.29Å; L552-Y556 WeakPolarHBondContact O-CB 3.49Å; L552-Y556 PolarHBondContact O-N 2.88Å
553	S	83.9	Confident	81.6	Confident	70 Å²	70	86.4 Å²	86.4	49%	0.49	42%	0.424	S	S	.	.	H	α-helix	trans	-65.2	-36.2	176.6	79.4	0	0	0	0	112.6	L549 S550 E551 K557	L549-S553 WeakPolarHBondContact O-CB 3.48Å; L549-S553 PolarHBondContact O-N 3.25Å; S550-S553 PolarHBondContact O-N 2.71Å; S550-S553 PolarHBondContact O-OG 2.84Å; E551-S553 VanDerWaalsContact C-N 3.34Å; E551-S553 PolarHBondContact O-N 2.72Å; S553-K557 VanDerWaalsContact O-CB 3.3Å; S553-K557 WeakPolarHBondContact O-CB 3.5Å; S553-K557 PolarHBondContact O-N 3.11Å
554	R	83.3	Confident	82.3	Confident	163 Å²	163	89 Å²	89	62%	0.615	43%	0.43	S	S	*	.	H	α-helix	trans	-68	-42.2	175.2	-70.7	165.9	178.1	-168.5	-1.1	111.1	S550 E551 L552 K557 R558	S550-R554 VanDerWaalsContact O-CG 3.28Å; S550-R554 WeakPolarHBondContact O-CG 3.43Å; S550-R554 PolarHBondContact O-N 3.25Å; S550-R554 VanDerWaalsContact O-N 3.09Å; E551-R554 WeakPolarHBondContact O-CB 3.46Å; E551-R554 PolarHBondContact O-N 3.32Å; E551-R554 VanDerWaalsContact O-N 3.13Å; L552-R554 VanDerWaalsContact C-N 3.34Å; L552-R554 PolarHBondContact O-N 3.36Å; R554-K557 PolarHBondContact O-N 2.91Å; R554-R558 WeakPolarHBondContact O-CG 3.23Å; R554-R558 PolarHBondContact O-N 2.81Å
555	T	83.7	Confident	83.1	Confident	47 Å²	47	92.5 Å²	92.5	29%	0.288	44%	0.444	S	S	.	.	H	α-helix	trans	-67.3	-45.8	176.5	-63.5	0	0	0	0	111.6	E551 L552 K557 R558 Q559	E551-T555 PolarHBondContact O-N 2.04Å; E551-T555 PolarHBondContact O-OG1 3.39Å; L552-T555 PolarHBondContact O-N 3.29Å; T555-K557 VanDerWaalsContact C-N 3.32Å; T555-K557 PolarHBondContact O-N 2.72Å; T555-R558 PolarHBondContact O-N 2.98Å; T555-Q559 PolarHBondContact O-N 2.72Å
556	Y	78.4	Confident	83.5	Confident	147 Å²	147	94.6 Å²	94.6	58%	0.576	45%	0.452	S	S	*	.	H	α-helix	trans	-59.7	-40.8	174.1	-177.1	-100.4	0	0	0	112.1	L552 Q559 M560	L552-Y556 WeakPolarHBondContact O-CB 3.49Å; L552-Y556 PolarHBondContact O-N 2.88Å; Y556-Q559 PolarHBondContact O-N 2.9Å; Y556-M560 HydrophobicContact CE1-CE 4.11Å; Y556-M560 HydrophobicContact CE1-SD 4.37Å; Y556-M560 WeakPolarHBondContact O-CB 3.21Å; Y556-M560 PolarHBondContact O-N 3.37Å
557	K	86.3	Confident	83.8	Confident	126 Å²	126	99.5 Å²	99.5	55%	0.548	46%	0.461	S	S	.	.	H	α-helix	trans	-62	-44.9	174.1	-179.8	173.8	171.9	178	0	112.1	S553 R554 T555 M560 E561	S553-K557 VanDerWaalsContact O-CB 3.3Å; S553-K557 WeakPolarHBondContact O-CB 3.5Å; S553-K557 PolarHBondContact O-N 3.11Å; R554-K557 PolarHBondContact O-N 2.91Å; T555-K557 VanDerWaalsContact C-N 3.32Å; T555-K557 PolarHBondContact O-N 2.72Å; K557-M560 PolarHBondContact O-N 3.33Å; K557-E561 WeakPolarHBondContact CE-OE1 3.25Å; K557-E561 IonicContact NZ-OE1 2.65Å; K557-E561 WeakPolarHBondContact O-CG 3.38Å; K557-E561 PolarHBondContact O-N 3.27Å
558	R	85.6	Confident	84.3	Confident	146 Å²	146	101.3 Å²	101.3	55%	0.551	47%	0.467	S	S	*	.	H	α-helix	trans	-59.2	-50.7	175.4	-72	168.1	-176.7	157.3	-1.2	111.5	R554 T555 M560 E561 E562	R554-R558 WeakPolarHBondContact O-CG 3.23Å; R554-R558 PolarHBondContact O-N 2.81Å; T555-R558 PolarHBondContact O-N 2.98Å; R558-M560 VanDerWaalsContact C-N 3.31Å; R558-M560 PolarHBondContact O-N 2.88Å; R558-E561 PolarHBondContact O-N 2.99Å; R558-E561 VanDerWaalsContact O-N 3.17Å; R558-E562 WeakPolarHBondContact O-CB 3.43Å; R558-E562 WeakPolarHBondContact O-CG 3.34Å; R558-E562 PolarHBondContact O-N 3.43Å
559	Q	80.5	Confident	84.6	Confident	98 Å²	98	106.6 Å²	106.6	46%	0.458	49%	0.487	S	S	.	.	H	α-helix	trans	-58.4	-41	176.8	-75.1	-177.2	-22.4	0	0	112	T555 Y556 E562 M563	T555-Q559 PolarHBondContact O-N 2.72Å; Y556-Q559 PolarHBondContact O-N 2.9Å; Q559-E562 PolarHBondContact O-N 2.85Å; Q559-M563 WeakPolarHBondContact O-CB 3.35Å; Q559-M563 PolarHBondContact O-N 3.02Å
560	M	80.4	Confident	85	Confident	86 Å²	86	105.1 Å²	105.1	42%	0.424	48%	0.482	S	S	.	.	H	α-helix	trans	-69.5	-37.8	177	-174.3	162.1	57.5	0	0	112.6	Y556 K557 R558 M563 Q564	Y556-M560 HydrophobicContact CE1-CE 4.11Å; Y556-M560 HydrophobicContact CE1-SD 4.37Å; Y556-M560 WeakPolarHBondContact O-CB 3.21Å; Y556-M560 PolarHBondContact O-N 3.37Å; K557-M560 PolarHBondContact O-N 3.33Å; R558-M560 VanDerWaalsContact C-N 3.31Å; R558-M560 PolarHBondContact O-N 2.88Å; M560-M563 HydrophobicContact CG-CE 4.41Å; M560-Q564 WeakPolarHBondContact O-CB 3.41Å; M560-Q564 PolarHBondContact O-N 3Å
561	E	88.5	Confident	85.5	Confident	74 Å²	74	107.2 Å²	107.2	35%	0.346	49%	0.489	S	S	.	.	H	α-helix	trans	-66	-36.8	172.7	-75.6	-179.3	-157	0	0	112.5	K557 R558 Q564 K565	K557-E561 WeakPolarHBondContact CE-OE1 3.25Å; K557-E561 IonicContact NZ-OE1 2.65Å; K557-E561 WeakPolarHBondContact O-CG 3.38Å; K557-E561 PolarHBondContact O-N 3.27Å; R558-E561 PolarHBondContact O-N 2.99Å; R558-E561 VanDerWaalsContact O-N 3.17Å; E561-Q564 PolarHBondContact O-N 3.48Å; E561-K565 WeakPolarHBondContact O-CB 3.31Å; E561-K565 VanDerWaalsContact O-CD 3.3Å; E561-K565 WeakPolarHBondContact O-CD 3.31Å; E561-K565 WeakPolarHBondContact O-CG 3.39Å; E561-K565 PolarHBondContact O-N 2.58Å; E561-K565 IonicContact OE2-NZ 3.04Å
562	E	85.3	Confident	85.7	Confident	106 Å²	106	106.8 Å²	106.8	50%	0.495	49%	0.494	S	S	.	.	H	α-helix	trans	-74.8	-42.2	178.2	-75.2	165.1	179.4	0	0	111.7	R558 Q559 Q564 K565 N566	R558-E562 WeakPolarHBondContact O-CB 3.43Å; R558-E562 WeakPolarHBondContact O-CG 3.34Å; R558-E562 PolarHBondContact O-N 3.43Å; Q559-E562 PolarHBondContact O-N 2.85Å; E562-Q564 VanDerWaalsContact C-N 3.29Å; E562-Q564 PolarHBondContact O-N 2.96Å; E562-K565 PolarHBondContact O-N 2.85Å; E562-N566 WeakPolarHBondContact O-CB 3.44Å; E562-N566 PolarHBondContact O-N 3.12Å
563	M	79.3	Confident	86.1	Confident	127 Å²	127	108.9 Å²	108.9	63%	0.626	51%	0.505	S	S	*	.	H	α-helix	trans	-58.5	-39.9	167.7	-174.9	-179.5	66.7	0	0	111.3	Q559 M560 N566 W567	Q559-M563 WeakPolarHBondContact O-CB 3.35Å; Q559-M563 PolarHBondContact O-N 3.02Å; M560-M563 HydrophobicContact CG-CE 4.41Å; M563-N566 PolarHBondContact O-N 3.02Å; M563-W567 VanDerWaalsContact O-CB 3.25Å; M563-W567 WeakPolarHBondContact O-CB 3.25Å; M563-W567 PolarHBondContact O-N 2.83Å
564	Q	88.8	Confident	86.4	Confident	107 Å²	107	109.9 Å²	109.9	50%	0.5	51%	0.508	S	S	.	.	H	α-helix	trans	-70.1	-35.6	176.1	-170.1	-178.8	7.8	0	0	112.6	M560 E561 E562 K568	M560-Q564 WeakPolarHBondContact O-CB 3.41Å; M560-Q564 PolarHBondContact O-N 3Å; E561-Q564 PolarHBondContact O-N 3.48Å; E562-Q564 VanDerWaalsContact C-N 3.29Å; E562-Q564 PolarHBondContact O-N 2.96Å; Q564-K568 WeakPolarHBondContact O-CB 3.43Å; Q564-K568 WeakPolarHBondContact O-CG 3.41Å; Q564-K568 PolarHBondContact O-N 3.15Å
565	K	89.7	Confident	86.8	Confident	99 Å²	99	103.9 Å²	103.9	43%	0.43	49%	0.494	S	S	.	.	H	α-helix	trans	-65	-43.9	172.1	-72.1	156.2	-162.7	157	0	110.8	E561 E562 K568 R569	E561-K565 WeakPolarHBondContact O-CB 3.31Å; E561-K565 VanDerWaalsContact O-CD 3.3Å; E561-K565 WeakPolarHBondContact O-CD 3.31Å; E561-K565 WeakPolarHBondContact O-CG 3.39Å; E561-K565 PolarHBondContact O-N 2.58Å; E561-K565 IonicContact OE2-NZ 3.04Å; E562-K565 PolarHBondContact O-N 2.85Å; K565-K568 PolarHBondContact O-N 2.65Å; K565-R569 WeakPolarHBondContact O-CG 3.31Å; K565-R569 PolarHBondContact O-N 3.39Å; K565-R569 VanDerWaalsContact O-N 3.08Å
566	N	86.5	Confident	87.1	Confident	82 Å²	82	107.2 Å²	107.2	44%	0.439	51%	0.506	S	S	.	.	H	α-helix	trans	-67.3	-44.5	176.5	-73.5	-9	0	0	0	111.7	E562 M563 K568 R569 T570	E562-N566 WeakPolarHBondContact O-CB 3.44Å; E562-N566 PolarHBondContact O-N 3.12Å; M563-N566 PolarHBondContact O-N 3.02Å; N566-K568 VanDerWaalsContact C-N 3.3Å; N566-K568 PolarHBondContact O-N 3.44Å; N566-R569 WeakPolarHBondContact O-CA 3.32Å; N566-R569 WeakPolarHBondContact O-CB 3.43Å; N566-R569 PolarHBondContact O-N 2.68Å; N566-R569 PolarHBondContact OD1-NH1 2.65Å; N566-T570 PolarHBondContact O-N 2.77Å; N566-T570 PolarHBondContact O-OG1 3.04Å; N566-T570 VanDerWaalsContact O-OG1 3.1Å
567	W	86.6	Confident	87.5	Confident	170 Å²	170	104.6 Å²	104.6	64%	0.644	51%	0.506	S	S	*	.	H	α-helix	trans	-55.8	-42.1	172.1	176.8	-102.3	0	0	0	112.5	M563 R569 T570 L571	M563-W567 VanDerWaalsContact O-CB 3.25Å; M563-W567 WeakPolarHBondContact O-CB 3.25Å; M563-W567 PolarHBondContact O-N 2.83Å; W567-R569 PolarHBondContact O-N 3.24Å; W567-T570 PolarHBondContact O-N 2.9Å; W567-L571 VanDerWaalsContact O-CB 3.27Å; W567-L571 WeakPolarHBondContact O-CB 3.46Å; W567-L571 PolarHBondContact O-N 3.05Å
568	K	90.5	Very high	87.7	Confident	135 Å²	135	104.9 Å²	104.9	59%	0.587	51%	0.507	S	S	*	.	H	α-helix	trans	-61.6	-41	173.5	-79	-179.6	176.9	-173.4	0	112.5	Q564 K565 N566 L571 S572	Q564-K568 WeakPolarHBondContact O-CB 3.43Å; Q564-K568 WeakPolarHBondContact O-CG 3.41Å; Q564-K568 PolarHBondContact O-N 3.15Å; K565-K568 PolarHBondContact O-N 2.65Å; N566-K568 VanDerWaalsContact C-N 3.3Å; N566-K568 PolarHBondContact O-N 3.44Å; K568-L571 PolarHBondContact O-N 3.11Å; K568-S572 PolarHBondContact O-N 3.1Å; K568-S572 PolarHBondContact O-OG 3Å
569	R	91.1	Very high	88	Confident	158 Å²	158	105.7 Å²	105.7	60%	0.596	51%	0.51	S	S	*	.	H	α-helix	trans	-63.7	-46.9	175.3	-68.1	163.5	172.4	164.4	-9.9	111.7	K565 N566 W567 L571 S572 L573	K565-R569 WeakPolarHBondContact O-CG 3.31Å; K565-R569 PolarHBondContact O-N 3.39Å; K565-R569 VanDerWaalsContact O-N 3.08Å; N566-R569 WeakPolarHBondContact O-CA 3.32Å; N566-R569 WeakPolarHBondContact O-CB 3.43Å; N566-R569 PolarHBondContact O-N 2.68Å; N566-R569 PolarHBondContact OD1-NH1 2.65Å; W567-R569 PolarHBondContact O-N 3.24Å; R569-L571 VanDerWaalsContact C-N 3.33Å; R569-L571 PolarHBondContact O-N 3.28Å; R569-S572 WeakPolarHBondContact CA-OG 3.31Å; R569-S572 PolarHBondContact O-N 3.12Å; R569-S572 PolarHBondContact O-OG 3.23Å; R569-L573 WeakPolarHBondContact O-CG 3.47Å; R569-L573 PolarHBondContact O-N 2.91Å
570	T	89.3	Confident	88.4	Confident	77 Å²	77	107.4 Å²	107.4	47%	0.472	52%	0.517	S	S	.	.	H	α-helix	trans	-60.3	-43.1	175.4	-50	0	0	0	0	111.1	N566 W567 L573 V574	N566-T570 PolarHBondContact O-N 2.77Å; N566-T570 PolarHBondContact O-OG1 3.04Å; N566-T570 VanDerWaalsContact O-OG1 3.1Å; W567-T570 PolarHBondContact O-N 2.9Å; T570-L573 PolarHBondContact O-N 2.9Å; T570-V574 WeakPolarHBondContact O-CB 3.35Å; T570-V574 WeakPolarHBondContact O-CG2 3.48Å; T570-V574 PolarHBondContact O-N 3.26Å
571	L	92.7	Very high	88.9	Confident	96 Å²	96	107.5 Å²	107.5	50%	0.503	52%	0.519	S	S	.	.	H	α-helix	trans	-66.4	-38.9	178.5	-173.5	64.3	0	0	0	112.6	W567 K568 R569 A575	W567-L571 VanDerWaalsContact O-CB 3.27Å; W567-L571 WeakPolarHBondContact O-CB 3.46Å; W567-L571 PolarHBondContact O-N 3.05Å; K568-L571 PolarHBondContact O-N 3.11Å; R569-L571 VanDerWaalsContact C-N 3.33Å; R569-L571 PolarHBondContact O-N 3.28Å; L571-A575 WeakPolarHBondContact O-CB 3.39Å; L571-A575 PolarHBondContact O-N 3.23Å
572	S	87	Confident	89.1	Confident	69 Å²	69	108.3 Å²	108.3	48%	0.483	53%	0.526	S	S	.	.	H	α-helix	trans	-66.6	-40.8	174.4	52.5	0	0	0	0	112.3	K568 R569 A575 E576	K568-S572 PolarHBondContact O-N 3.1Å; K568-S572 PolarHBondContact O-OG 3Å; R569-S572 WeakPolarHBondContact CA-OG 3.31Å; R569-S572 PolarHBondContact O-N 3.12Å; R569-S572 PolarHBondContact O-OG 3.23Å; S572-A575 PolarHBondContact O-N 3.16Å; S572-E576 WeakPolarHBondContact O-CB 3.31Å; S572-E576 PolarHBondContact O-N 2.79Å
573	L	90.6	Very high	89.2	Confident	103 Å²	103	105.6 Å²	105.6	54%	0.539	52%	0.518	S	S	.	.	H	α-helix	trans	-63.3	-47.6	175.3	-72.1	168.6	0	0	0	111.1	R569 T570 A575 E576 T577	R569-L573 WeakPolarHBondContact O-CG 3.47Å; R569-L573 PolarHBondContact O-N 2.91Å; T570-L573 PolarHBondContact O-N 2.9Å; L573-A575 VanDerWaalsContact C-N 3.28Å; L573-A575 PolarHBondContact O-N 2.82Å; L573-E576 WeakPolarHBondContact O-CB 3.5Å; L573-E576 PolarHBondContact O-N 2.84Å; L573-T577 PolarHBondContact O-N 2.89Å; L573-T577 PolarHBondContact O-OG1 3Å; L573-T577 VanDerWaalsContact O-OG1 3.04Å
574	V	90.9	Very high	89.4	Confident	91 Å²	91	103.9 Å²	103.9	55%	0.552	51%	0.51	S	S	*	.	H	α-helix	trans	-60.2	-37.6	175.9	169.3	0	0	0	0	111.8	T570 K578	T570-V574 WeakPolarHBondContact O-CB 3.35Å; T570-V574 WeakPolarHBondContact O-CG2 3.48Å; T570-V574 PolarHBondContact O-N 3.26Å; V574-K578 VanDerWaalsContact O-CB 3.31Å; V574-K578 WeakPolarHBondContact O-CB 3.13Å; V574-K578 PolarHBondContact O-N 2.82Å
575	A	90.5	Very high	89.5	Confident	38 Å²	38	103.4 Å²	103.4	31%	0.314	51%	0.51	S	S	.	.	H	α-helix	trans	-67.7	-33.8	174.4	0	0	0	0	0	112.9	L571 S572 L573 R579	L571-A575 WeakPolarHBondContact O-CB 3.39Å; L571-A575 PolarHBondContact O-N 3.23Å; S572-A575 PolarHBondContact O-N 3.16Å; L573-A575 VanDerWaalsContact C-N 3.28Å; L573-A575 PolarHBondContact O-N 2.82Å; A575-R579 WeakPolarHBondContact O-CG 3.46Å; A575-R579 PolarHBondContact O-N 3.49Å
576	E	90.1	Very high	89.5	Confident	117 Å²	117	104.8 Å²	104.8	55%	0.547	52%	0.518	S	S	.	.	H	α-helix	trans	-73.1	-47.9	176.1	-173.5	163.6	-148.2	0	0	112.2	S572 L573 K578 R579 H580	S572-E576 WeakPolarHBondContact O-CB 3.31Å; S572-E576 PolarHBondContact O-N 2.79Å; L573-E576 WeakPolarHBondContact O-CB 3.5Å; L573-E576 PolarHBondContact O-N 2.84Å; E576-K578 PolarHBondContact O-N 2.89Å; E576-R579 PolarHBondContact O-N 2.95Å; E576-H580 PolarHBondContact O-N 3Å
577	T	86.6	Confident	89.7	Confident	92 Å²	92	105.3 Å²	105.3	56%	0.564	52%	0.523	S	S	*	.	H	α-helix	trans	-57.1	-39.2	171.6	-48.3	0	0	0	0	111.3	L573 H580 L581	L573-T577 PolarHBondContact O-N 2.89Å; L573-T577 PolarHBondContact O-OG1 3Å; L573-T577 VanDerWaalsContact O-OG1 3.04Å; T577-H580 PolarHBondContact O-N 2.77Å; T577-L581 VanDerWaalsContact O-CB 3.28Å; T577-L581 WeakPolarHBondContact O-CB 3.37Å; T577-L581 PolarHBondContact O-N 2.76Å
578	K	91.9	Very high	89.6	Confident	131 Å²	131	102.5 Å²	102.5	57%	0.57	52%	0.517	S	S	*	.	H	α-helix	trans	-60.2	-45	173.4	-178.3	-177.5	174.8	-175.6	0	112.1	V574 E576 L582	V574-K578 VanDerWaalsContact O-CB 3.31Å; V574-K578 WeakPolarHBondContact O-CB 3.13Å; V574-K578 PolarHBondContact O-N 2.82Å; E576-K578 PolarHBondContact O-N 2.89Å; K578-L582 HydrophobicContact CG-CD1 4Å; K578-L582 WeakPolarHBondContact O-CB 3.27Å; K578-L582 VanDerWaalsContact O-CG 3.28Å; K578-L582 WeakPolarHBondContact O-CG 3.37Å; K578-L582 PolarHBondContact O-N 2.81Å
579	R	91.7	Very high	89.6	Confident	164 Å²	164	99.8 Å²	99.8	62%	0.619	51%	0.509	S	S	*	.	H	α-helix	trans	-62.5	-48.2	177.4	-70	-175.1	-152.9	94	0.8	111.1	A575 E576 L581 L582 S583	A575-R579 WeakPolarHBondContact O-CG 3.46Å; A575-R579 PolarHBondContact O-N 3.49Å; E576-R579 PolarHBondContact O-N 2.95Å; R579-L581 VanDerWaalsContact C-N 3.35Å; R579-L581 PolarHBondContact O-N 2.86Å; R579-L582 PolarHBondContact O-N 3.4Å; R579-S583 PolarHBondContact O-N 2.72Å; R579-S583 PolarHBondContact O-OG 2.83Å
580	H	88.9	Confident	89.5	Confident	133 Å²	133	97 Å²	97	62%	0.616	51%	0.506	S	S	*	.	H	α-helix	trans	-63.3	-40.7	-177.6	-169	50.8	0	0	0	112.4	E576 T577 S583 M584	E576-H580 PolarHBondContact O-N 3Å; T577-H580 PolarHBondContact O-N 2.77Å; H580-S583 WeakPolarHBondContact CA-OG 3.42Å; H580-S583 PolarHBondContact O-N 3.05Å; H580-S583 PolarHBondContact O-OG 2.95Å; H580-M584 WeakPolarHBondContact O-CB 3.5Å; H580-M584 PolarHBondContact O-N 3.38Å
581	L	90.2	Very high	89.6	Confident	89 Å²	89	98.2 Å²	98.2	47%	0.466	51%	0.509	S	S	.	.	H	α-helix	trans	-66.6	-36.2	175.1	-175.1	139.6	0	0	0	112.4	T577 R579 M584 I585	T577-L581 VanDerWaalsContact O-CB 3.28Å; T577-L581 WeakPolarHBondContact O-CB 3.37Å; T577-L581 PolarHBondContact O-N 2.76Å; R579-L581 VanDerWaalsContact C-N 3.35Å; R579-L581 PolarHBondContact O-N 2.86Å; L581-M584 PolarHBondContact O-N 2.89Å; L581-I585 HydrophobicContact CD2-CD1 3.66Å; L581-I585 HydrophobicContact CG-CD1 4.44Å; L581-I585 VanDerWaalsContact O-CG1 3.31Å; L581-I585 WeakPolarHBondContact O-CG1 3.3Å; L581-I585 PolarHBondContact O-N 3.22Å
582	L	92	Very high	89.6	Confident	91 Å²	91	98.5 Å²	98.5	48%	0.476	51%	0.511	S	S	.	.	H	α-helix	trans	-67.7	-46.7	173.8	-73.5	170.8	0	0	0	112.3	K578 R579 M584 I585 E586	K578-L582 HydrophobicContact CG-CD1 4Å; K578-L582 WeakPolarHBondContact O-CB 3.27Å; K578-L582 VanDerWaalsContact O-CG 3.28Å; K578-L582 WeakPolarHBondContact O-CG 3.37Å; K578-L582 PolarHBondContact O-N 2.81Å; R579-L582 PolarHBondContact O-N 3.4Å; L582-M584 PolarHBondContact O-N 2.85Å; L582-I585 PolarHBondContact O-N 3.17Å; L582-I585 VanDerWaalsContact O-N 3.11Å; L582-E586 PolarHBondContact O-N 3.1Å
583	S	88.8	Confident	89.6	Confident	49 Å²	49	100.7 Å²	100.7	34%	0.343	51%	0.513	S	S	.	.	H	α-helix	trans	-62.7	-30.8	175.5	53.1	0	0	0	0	112.6	R579 H580 V587	R579-S583 PolarHBondContact O-N 2.72Å; R579-S583 PolarHBondContact O-OG 2.83Å; H580-S583 WeakPolarHBondContact CA-OG 3.42Å; H580-S583 PolarHBondContact O-N 3.05Å; H580-S583 PolarHBondContact O-OG 2.95Å; S583-V587 WeakPolarHBondContact O-CG2 3.32Å; S583-V587 PolarHBondContact O-N 3.42Å; S583-V587 VanDerWaalsContact O-N 3.1Å
584	M	83.8	Confident	89.5	Confident	90 Å²	90	98.8 Å²	98.8	44%	0.443	51%	0.508	S	S	.	.	H	α-helix	trans	-70.4	-38.5	174.3	-177.1	167	56.1	0	0	111.7	H580 L581 L582 H588	H580-M584 WeakPolarHBondContact O-CB 3.5Å; H580-M584 PolarHBondContact O-N 3.38Å; L581-M584 PolarHBondContact O-N 2.89Å; L582-M584 PolarHBondContact O-N 2.85Å; M584-H588 PolarHBondContact O-N 3.48Å; M584-H588 PolarHBondContact O-ND1 3.12Å
585	I	89.9	Confident	89.4	Confident	98 Å²	98	98.6 Å²	98.6	50%	0.503	50%	0.504	S	S	.	.	H	α-helix	trans	-64.1	-42.2	173.5	-71	164.6	0	0	0	111	L581 L582 H588 N589	L581-I585 HydrophobicContact CD2-CD1 3.66Å; L581-I585 HydrophobicContact CG-CD1 4.44Å; L581-I585 VanDerWaalsContact O-CG1 3.31Å; L581-I585 WeakPolarHBondContact O-CG1 3.3Å; L581-I585 PolarHBondContact O-N 3.22Å; L582-I585 PolarHBondContact O-N 3.17Å; L582-I585 VanDerWaalsContact O-N 3.11Å; I585-H588 PolarHBondContact O-N 3.17Å; I585-N589 WeakPolarHBondContact O-CB 3.48Å; I585-N589 PolarHBondContact O-N 2.86Å
586	E	89.1	Confident	89.4	Confident	128 Å²	128	100.3 Å²	100.3	60%	0.598	51%	0.51	S	S	*	.	H	α-helix	trans	-58.3	-53.3	177.2	-169.2	167.3	-149.7	0	0	111.3	L582 H588 N589 D590	L582-E586 PolarHBondContact O-N 3.1Å; E586-H588 VanDerWaalsContact C-N 3.32Å; E586-H588 PolarHBondContact O-N 3.43Å; E586-N589 WeakPolarHBondContact O-CB 3.5Å; E586-N589 PolarHBondContact O-N 2.99Å; E586-D590 PolarHBondContact O-N 3.39Å
587	V	91.3	Very high	89.3	Confident	92 Å²	92	97.9 Å²	97.9	56%	0.558	51%	0.506	S	S	*	.	H	α-helix	trans	-62	-35.4	176.5	172.6	0	0	0	0	112.9	S583 L591	S583-V587 WeakPolarHBondContact O-CG2 3.32Å; S583-V587 PolarHBondContact O-N 3.42Å; S583-V587 VanDerWaalsContact O-N 3.1Å; V587-L591 WeakPolarHBondContact O-CB 3.42Å; V587-L591 PolarHBondContact O-N 2.69Å; V587-L591 VanDerWaalsContact O-N 3.08Å
588	H	85.2	Confident	89.4	Confident	112 Å²	112	101 Å²	101	52%	0.519	51%	0.508	S	S	.	.	H	α-helix	trans	-68.4	-35	173.5	-79.9	75	0	0	0	112	M584 I585 E586 L592	M584-H588 PolarHBondContact O-N 3.48Å; M584-H588 PolarHBondContact O-ND1 3.12Å; I585-H588 PolarHBondContact O-N 3.17Å; E586-H588 VanDerWaalsContact C-N 3.32Å; E586-H588 PolarHBondContact O-N 3.43Å; H588-L592 WeakPolarHBondContact O-CB 3.24Å; H588-L592 VanDerWaalsContact O-CG 3.24Å; H588-L592 WeakPolarHBondContact O-CG 3.21Å; H588-L592 PolarHBondContact O-N 3.13Å
589	N	89.3	Confident	89.4	Confident	78 Å²	78	99.4 Å²	99.4	42%	0.417	51%	0.509	S	S	.	.	H	α-helix	trans	-70.2	-41.4	178.1	-167.3	75.1	0	0	0	111.7	I585 E586 L592 H593	I585-N589 WeakPolarHBondContact O-CB 3.48Å; I585-N589 PolarHBondContact O-N 2.86Å; E586-N589 WeakPolarHBondContact O-CB 3.5Å; E586-N589 PolarHBondContact O-N 2.99Å; N589-L592 PolarHBondContact O-N 2.74Å; N589-H593 PolarHBondContact ND2-CD2 3.17Å; N589-H593 PolarHBondContact ND2-NE2 3.47Å; N589-H593 PolarHBondContact O-CD2 3.45Å; N589-H593 PolarHBondContact O-N 3.03Å
590	D	90.1	Very high	89.2	Confident	100 Å²	100	96.2 Å²	96.2	54%	0.535	50%	0.504	S	S	.	.	H	α-helix	trans	-62.9	-42.3	174	-69.8	-14.6	0	0	0	111.8	E586 H593 S594	E586-D590 PolarHBondContact O-N 3.39Å; D590-H593 PolarHBondContact O-N 3.43Å; D590-S594 WeakPolarHBondContact O-CB 3.48Å; D590-S594 PolarHBondContact O-N 3.29Å
591	L	92.1	Very high	89.1	Confident	101 Å²	101	95.5 Å²	95.5	53%	0.529	50%	0.501	S	S	.	.	H	α-helix	trans	-66.4	-37	175.9	-174.8	144.1	0	0	0	111.9	V587 S594 L595	V587-L591 WeakPolarHBondContact O-CB 3.42Å; V587-L591 PolarHBondContact O-N 2.69Å; V587-L591 VanDerWaalsContact O-N 3.08Å; L591-S594 PolarHBondContact O-N 2.86Å; L591-L595 HydrophobicContact CD2-CD1 3.65Å; L591-L595 HydrophobicContact CD2-CG 4.29Å; L591-L595 WeakPolarHBondContact O-CB 3.41Å; L591-L595 WeakPolarHBondContact O-CG 3.38Å; L591-L595 PolarHBondContact O-N 2.88Å
592	L	90.7	Very high	89	Confident	102 Å²	102	95.3 Å²	95.3	53%	0.534	50%	0.503	S	S	.	.	H	α-helix	trans	-63.9	-46.8	171.4	-77	169.1	0	0	0	111.5	H588 N589 S594 L595 T596	H588-L592 WeakPolarHBondContact O-CB 3.24Å; H588-L592 VanDerWaalsContact O-CG 3.24Å; H588-L592 WeakPolarHBondContact O-CG 3.21Å; H588-L592 PolarHBondContact O-N 3.13Å; N589-L592 PolarHBondContact O-N 2.74Å; L592-S594 VanDerWaalsContact C-N 3.32Å; L592-S594 PolarHBondContact O-N 3Å; L592-L595 PolarHBondContact O-N 2.92Å; L592-T596 WeakPolarHBondContact O-CB 3.3Å; L592-T596 PolarHBondContact O-N 3.01Å; L592-T596 PolarHBondContact O-OG1 3.08Å
593	H	88.6	Confident	88.8	Confident	115 Å²	115	93.9 Å²	93.9	53%	0.532	50%	0.501	S	S	.	.	H	α-helix	trans	-59.8	-40.6	175.7	-78.2	-60.5	0	0	0	112.4	N589 D590 T596 S597	N589-H593 PolarHBondContact ND2-CD2 3.17Å; N589-H593 PolarHBondContact ND2-NE2 3.47Å; N589-H593 PolarHBondContact O-CD2 3.45Å; N589-H593 PolarHBondContact O-N 3.03Å; D590-H593 PolarHBondContact O-N 3.43Å; H593-T596 PolarHBondContact O-N 2.95Å; H593-S597 PolarHBondContact O-N 3.11Å; H593-S597 PolarHBondContact O-OG 3.2Å
594	S	87.9	Confident	88.5	Confident	63 Å²	63	94.4 Å²	94.4	44%	0.441	50%	0.504	S	S	.	.	H	α-helix	trans	-66.6	-37.9	175.6	-173.5	0	0	0	0	112.9	D590 L591 L592 S597 R598	D590-S594 WeakPolarHBondContact O-CB 3.48Å; D590-S594 PolarHBondContact O-N 3.29Å; L591-S594 PolarHBondContact O-N 2.86Å; L592-S594 VanDerWaalsContact C-N 3.32Å; L592-S594 PolarHBondContact O-N 3Å; S594-S597 PolarHBondContact O-OG 2.8Å; S594-S597 VanDerWaalsContact O-OG 3.09Å; S594-R598 WeakPolarHBondContact O-CB 3.1Å; S594-R598 VanDerWaalsContact O-CG 3.29Å; S594-R598 WeakPolarHBondContact O-CG 3.46Å; S594-R598 PolarHBondContact O-N 3.42Å
595	L	88.7	Confident	88.3	Confident	87 Å²	87	96.3 Å²	96.3	46%	0.455	51%	0.514	S	S	.	.	H	α-helix	trans	-68.6	-42.7	173.5	-73.7	176.4	0	0	0	111.5	L591 L592 R598 V599	L591-L595 HydrophobicContact CD2-CD1 3.65Å; L591-L595 HydrophobicContact CD2-CG 4.29Å; L591-L595 WeakPolarHBondContact O-CB 3.41Å; L591-L595 WeakPolarHBondContact O-CG 3.38Å; L591-L595 PolarHBondContact O-N 2.88Å; L592-L595 PolarHBondContact O-N 2.92Å; L595-R598 PolarHBondContact O-N 3.4Å; L595-V599 WeakPolarHBondContact O-CB 3.3Å; L595-V599 VanDerWaalsContact O-CG2 3.32Å; L595-V599 WeakPolarHBondContact O-CG2 3.43Å; L595-V599 PolarHBondContact O-N 3.19Å
596	T	90	Very high	87.9	Confident	74 Å²	74	95.9 Å²	95.9	45%	0.454	52%	0.516	S	S	.	.	H	α-helix	trans	-60.2	-48.6	175.1	-63.5	0	0	0	0	111.1	L592 H593 R598 V599 D600	L592-T596 WeakPolarHBondContact O-CB 3.3Å; L592-T596 PolarHBondContact O-N 3.01Å; L592-T596 PolarHBondContact O-OG1 3.08Å; H593-T596 PolarHBondContact O-N 2.95Å; T596-R598 VanDerWaalsContact C-N 3.28Å; T596-R598 PolarHBondContact O-N 3.07Å; T596-V599 PolarHBondContact O-N 2.95Å; T596-D600 WeakPolarHBondContact CG2-OD2 3.25Å; T596-D600 PolarHBondContact O-N 2.89Å
597	S	88.6	Confident	87.3	Confident	66 Å²	66	92.2 Å²	92.2	46%	0.462	50%	0.502	S	S	.	.	H	α-helix	trans	-61.3	-36.2	179.6	71.4	0	0	0	0	112.7	H593 S594 E601	H593-S597 PolarHBondContact O-N 3.11Å; H593-S597 PolarHBondContact O-OG 3.2Å; S594-S597 PolarHBondContact O-OG 2.8Å; S594-S597 VanDerWaalsContact O-OG 3.09Å; S597-E601 VanDerWaalsContact O-CB 3.25Å; S597-E601 WeakPolarHBondContact O-CB 3.16Å; S597-E601 PolarHBondContact O-N 3.06Å
598	R	89.6	Confident	86.6	Confident	159 Å²	159	91.3 Å²	91.3	60%	0.6	50%	0.497	S	S	*	.	H	α-helix	trans	-72.5	-32.6	175.1	-71.4	178.6	68.6	-171.4	1.4	113	S594 L595 T596 V602	S594-R598 WeakPolarHBondContact O-CB 3.1Å; S594-R598 VanDerWaalsContact O-CG 3.29Å; S594-R598 WeakPolarHBondContact O-CG 3.46Å; S594-R598 PolarHBondContact O-N 3.42Å; L595-R598 PolarHBondContact O-N 3.4Å; T596-R598 VanDerWaalsContact C-N 3.28Å; T596-R598 PolarHBondContact O-N 3.07Å; R598-V602 WeakPolarHBondContact O-CB 3.43Å; R598-V602 VanDerWaalsContact O-CG2 3.27Å; R598-V602 WeakPolarHBondContact O-CG2 3.19Å; R598-V602 PolarHBondContact O-N 2.81Å
599	V	91.2	Very high	85.8	Confident	97 Å²	97	88.7 Å²	88.7	59%	0.588	49%	0.494	S	S	*	.	H	α-helix	trans	-69.2	-41.4	172.5	167.3	0	0	0	0	110.5	L595 T596 S603	L595-V599 WeakPolarHBondContact O-CB 3.3Å; L595-V599 VanDerWaalsContact O-CG2 3.32Å; L595-V599 WeakPolarHBondContact O-CG2 3.43Å; L595-V599 PolarHBondContact O-N 3.19Å; T596-V599 PolarHBondContact O-N 2.95Å; V599-S603 WeakPolarHBondContact O-CB 3.42Å; V599-S603 PolarHBondContact O-N 2.68Å
600	D	87.9	Confident	84.7	Confident	97 Å²	97	91 Å²	91	52%	0.519	50%	0.503	S	S	.	.	H	α-helix	trans	-67.6	-40.4	176.2	-67.1	-28.4	0	0	0	111.8	T596 S603 S604	T596-D600 WeakPolarHBondContact CG2-OD2 3.25Å; T596-D600 PolarHBondContact O-N 2.89Å; D600-S603 WeakPolarHBondContact O-CB 3.23Å; D600-S603 PolarHBondContact O-N 2.9Å; D600-S604 WeakPolarHBondContact O-CB 3.48Å; D600-S604 PolarHBondContact O-N 2.9Å
601	E	86.7	Confident	83.5	Confident	118 Å²	118	94.2 Å²	94.2	55%	0.551	51%	0.512	S	S	*	.	H	α-helix	trans	-59.7	-51.8	172.7	-179.5	178.4	-151.8	0	0	111.3	S597 S603 S604 M605	S597-E601 VanDerWaalsContact O-CB 3.25Å; S597-E601 WeakPolarHBondContact O-CB 3.16Å; S597-E601 PolarHBondContact O-N 3.06Å; E601-S603 VanDerWaalsContact C-N 3.32Å; E601-S603 PolarHBondContact O-N 2.86Å; E601-S604 WeakPolarHBondContact O-CB 3.05Å; E601-S604 PolarHBondContact O-N 2.77Å; E601-S604 VanDerWaalsContact O-N 3.14Å; E601-S604 PolarHBondContact O-OG 2.88Å; E601-M605 PolarHBondContact O-N 2.91Å
602	V	87.1	Confident	82	Confident	84 Å²	84	95.4 Å²	95.4	51%	0.509	52%	0.517	S	S	.	.	H	α-helix	trans	-63.8	-36.9	176.6	171	0	0	0	0	111.6	R598 S604 M605 V606	R598-V602 WeakPolarHBondContact O-CB 3.43Å; R598-V602 VanDerWaalsContact O-CG2 3.27Å; R598-V602 WeakPolarHBondContact O-CG2 3.19Å; R598-V602 PolarHBondContact O-N 2.81Å; V602-S604 VanDerWaalsContact C-N 3.34Å; V602-S604 PolarHBondContact O-N 2.77Å; V602-M605 WeakPolarHBondContact O-CB 3.37Å; V602-M605 PolarHBondContact O-N 3.08Å; V602-V606 HydrophobicContact CG1-CG2 4.39Å; V602-V606 WeakPolarHBondContact O-CG2 3.34Å; V602-V606 PolarHBondContact O-N 2.7Å
603	S	87.6	Confident	80.3	Confident	61 Å²	61	94.1 Å²	94.1	43%	0.427	52%	0.517	S	S	.	.	H	α-helix	trans	-63.2	-38.8	173.3	-173.7	0	0	0	0	111.9	V599 D600 E601 V606 T607	V599-S603 WeakPolarHBondContact O-CB 3.42Å; V599-S603 PolarHBondContact O-N 2.68Å; D600-S603 WeakPolarHBondContact O-CB 3.23Å; D600-S603 PolarHBondContact O-N 2.9Å; E601-S603 VanDerWaalsContact C-N 3.32Å; E601-S603 PolarHBondContact O-N 2.86Å; S603-V606 PolarHBondContact O-N 2.64Å; S603-T607 WeakPolarHBondContact O-CB 3.49Å; S603-T607 WeakPolarHBondContact O-CG2 3.25Å; S603-T607 PolarHBondContact O-N 2.92Å; S603-T607 PolarHBondContact O-OG1 2.82Å
604	S	83.3	Confident	78.6	Confident	60 Å²	60	93.4 Å²	93.4	42%	0.42	52%	0.52	S	S	.	.	H	α-helix	trans	-66.2	-37.6	173.7	83.9	0	0	0	0	112.2	D600 E601 V602 T607 T608	D600-S604 WeakPolarHBondContact O-CB 3.48Å; D600-S604 PolarHBondContact O-N 2.9Å; E601-S604 WeakPolarHBondContact O-CB 3.05Å; E601-S604 PolarHBondContact O-N 2.77Å; E601-S604 VanDerWaalsContact O-N 3.14Å; E601-S604 PolarHBondContact O-OG 2.88Å; V602-S604 VanDerWaalsContact C-N 3.34Å; V602-S604 PolarHBondContact O-N 2.77Å; S604-T607 PolarHBondContact O-OG1 3.19Å; S604-T608 VanDerWaalsContact O-CB 3.25Å; S604-T608 WeakPolarHBondContact O-CB 3.45Å; S604-T608 PolarHBondContact O-N 3.5Å; S604-T608 PolarHBondContact O-OG1 3.11Å
605	M	79.4	Confident	77.2	Confident	131 Å²	131	95.3 Å²	95.3	65%	0.645	53%	0.531	S	S	*	.	H	α-helix	trans	-65.7	-45	171.7	-81.6	-176.6	60.4	0	0	111.9	E601 V602 T608 A609	E601-M605 PolarHBondContact O-N 2.91Å; V602-M605 WeakPolarHBondContact O-CB 3.37Å; V602-M605 PolarHBondContact O-N 3.08Å; M605-T608 PolarHBondContact O-N 2.95Å; M605-A609 WeakPolarHBondContact O-CB 3.34Å; M605-A609 PolarHBondContact O-N 3.15Å
606	V	81.6	Confident	75.6	Confident	89 Å²	89	97.9 Å²	97.9	54%	0.539	55%	0.545	S	S	.	.	H	α-helix	trans	-63.5	-47.3	179.1	170	0	0	0	0	110.9	V602 S603 T608 A609 E610	V602-V606 HydrophobicContact CG1-CG2 4.39Å; V602-V606 WeakPolarHBondContact O-CG2 3.34Å; V602-V606 PolarHBondContact O-N 2.7Å; S603-V606 PolarHBondContact O-N 2.64Å; V606-T608 PolarHBondContact O-N 3.39Å; V606-A609 PolarHBondContact O-N 3.04Å; V606-E610 WeakPolarHBondContact O-CB 3.47Å; V606-E610 PolarHBondContact O-N 3.47Å
607	T	76.9	Confident	73.9	Confident	51 Å²	51	96.8 Å²	96.8	31%	0.313	54%	0.539	S	S	.	.	H	α-helix	trans	-71.7	-15.8	177.5	55.4	0	0	0	0	113.8	S603 S604 K611	S603-T607 WeakPolarHBondContact O-CB 3.49Å; S603-T607 WeakPolarHBondContact O-CG2 3.25Å; S603-T607 PolarHBondContact O-N 2.92Å; S603-T607 PolarHBondContact O-OG1 2.82Å; S604-T607 PolarHBondContact O-OG1 3.19Å; T607-K611 VanDerWaalsContact O-CD 3.31Å; T607-K611 WeakPolarHBondContact O-CD 3.42Å; T607-K611 VanDerWaalsContact O-CG 3.31Å; T607-K611 WeakPolarHBondContact O-CG 3.44Å
608	T	75.7	Confident	72.4	Confident	73 Å²	73	100.1 Å²	100.1	45%	0.448	55%	0.552	S	S	.	*	H	α-helix	trans	-84	-40.6	169.1	-59	0	0	0	0	111	S604 M605 V606 E610 K611 I612	S604-T608 VanDerWaalsContact O-CB 3.25Å; S604-T608 WeakPolarHBondContact O-CB 3.45Å; S604-T608 PolarHBondContact O-N 3.5Å; S604-T608 PolarHBondContact O-OG1 3.11Å; M605-T608 PolarHBondContact O-N 2.95Å; V606-T608 PolarHBondContact O-N 3.39Å; T608-E610 VanDerWaalsContact C-N 3.32Å; T608-E610 PolarHBondContact O-N 3.32Å; T608-K611 PolarHBondContact O-N 3.37Å; T608-I612 HydrophobicContact CG2-CD1 4.13Å; T608-I612 WeakPolarHBondContact O-CG1 3.43Å; T608-I612 PolarHBondContact O-N 2.98Å; T608-I612 VanDerWaalsContact O-N 3.16Å
609	A	69.2	Low	70.9	Confident	56 Å²	56	100.5 Å²	100.5	46%	0.463	56%	0.558	S	S	.	*	H	α-helix	trans	-61.2	-41.2	171.3	0	0	0	0	0	111.2	M605 V606 K611 I612 S613	M605-A609 WeakPolarHBondContact O-CB 3.34Å; M605-A609 PolarHBondContact O-N 3.15Å; V606-A609 PolarHBondContact O-N 3.04Å; A609-K611 VanDerWaalsContact C-N 3.28Å; A609-K611 PolarHBondContact O-N 3.32Å; A609-I612 CarbonylContact O-C 3.58Å; A609-I612 PolarHBondContact O-N 3.08Å; A609-S613 PolarHBondContact O-N 3.02Å; A609-S613 PolarHBondContact O-OG 3.24Å
610	E	66.3	Low	69.4	Low	128 Å²	128	103.1 Å²	103.1	60%	0.598	56%	0.557	S	S	*	*	H	α-helix	trans	-58.6	-36.4	174.9	-172.4	178.1	-163.8	0	0	112.6	V606 T608 S613	V606-E610 WeakPolarHBondContact O-CB 3.47Å; V606-E610 PolarHBondContact O-N 3.47Å; T608-E610 VanDerWaalsContact C-N 3.32Å; T608-E610 PolarHBondContact O-N 3.32Å; E610-S613 VanDerWaalsContact CA-OG 3.27Å; E610-S613 WeakPolarHBondContact CA-OG 3.32Å; E610-S613 VanDerWaalsContact O-O 3.14Å; E610-S613 PolarHBondContact O-OG 2.96Å
611	K	63.3	Low	68.1	Low	166 Å²	166	108 Å²	108	72%	0.722	57%	0.568	S	S	*	*	H	α-helix	trans	-76.8	-20.6	175.1	-71.4	165.8	-171.3	161	0	113.7	T607 T608 A609	T607-K611 VanDerWaalsContact O-CD 3.31Å; T607-K611 WeakPolarHBondContact O-CD 3.42Å; T607-K611 VanDerWaalsContact O-CG 3.31Å; T607-K611 WeakPolarHBondContact O-CG 3.44Å; T608-K611 PolarHBondContact O-N 3.37Å; A609-K611 VanDerWaalsContact C-N 3.28Å; A609-K611 PolarHBondContact O-N 3.32Å
612	I	61.2	Low	67.1	Low	126 Å²	126	109.6 Å²	109.6	65%	0.646	58%	0.576	S	S	*	*	H	α-helix	trans	-92.3	-29.7	177.5	-66.3	168.5	0	0	0	110.7	T608 A609 V614	T608-I612 HydrophobicContact CG2-CD1 4.13Å; T608-I612 WeakPolarHBondContact O-CG1 3.43Å; T608-I612 PolarHBondContact O-N 2.98Å; T608-I612 VanDerWaalsContact O-N 3.16Å; A609-I612 CarbonylContact O-C 3.58Å; A609-I612 PolarHBondContact O-N 3.08Å; I612-V614 VanDerWaalsContact C-N 3.29Å; I612-V614 PolarHBondContact O-N 2.99Å
613	S	55	Low	66.3	Low	75 Å²	75	114.7 Å²	114.7	52%	0.524	59%	0.586	S	S	.	*	S	Bend	trans	-69.1	88.7	163.7	56.5	0	0	0	0	109.5	A609 E610	A609-S613 PolarHBondContact O-N 3.02Å; A609-S613 PolarHBondContact O-OG 3.24Å; E610-S613 VanDerWaalsContact CA-OG 3.27Å; E610-S613 WeakPolarHBondContact CA-OG 3.32Å; E610-S613 VanDerWaalsContact O-O 3.14Å; E610-S613 PolarHBondContact O-OG 2.96Å
614	V	53.9	Low	65.6	Low	100 Å²	100	115.2 Å²	115.2	61%	0.606	58%	0.582	S	S	*	*			trans	-39.3	132.3	178.2	-177.9	0	0	0	0	111	I612 L616	I612-V614 VanDerWaalsContact C-N 3.29Å; I612-V614 PolarHBondContact O-N 2.99Å; V614-L616 HydrophobicContact CB-CD1 4.41Å; V614-L616 HydrophobicContact CB-CG 4.39Å; V614-L616 HydrophobicContact CG1-CG 4.19Å; V614-L616 PolarHBondContact O-N 3.2Å
615	P	58.8	Low	65.4	Low	103 Å²	103	116 Å²	116	67%	0.669	59%	0.586	S	S	*	*			trans	-69.3	77.1	178.6	28.6	-35.4	0	0	0	111.4	P617	P615-P617 WeakPolarHBondContact O-CA 3.32Å
616	L	55.2	Low	65.6	Low	141 Å²	141	111.8 Å²	111.8	74%	0.738	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	106.4	167.7	-70.4	160.3	0	0	0	107	V614	V614-L616 HydrophobicContact CB-CD1 4.41Å; V614-L616 HydrophobicContact CB-CG 4.39Å; V614-L616 HydrophobicContact CG1-CG 4.19Å; V614-L616 PolarHBondContact O-N 3.2Å
617	P	53	Low	65.6	Low	52 Å²	52	113.1 Å²	113.1	34%	0.338	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	cis	-151.6	95.5	1.1	32.7	-6.5	0	0	0	116.4	P615 K619 W620	P615-P617 WeakPolarHBondContact O-CA 3.32Å; P617-K619 PolarHBondContact O-N 2.67Å; P617-K619 VanDerWaalsContact O-N 3.14Å; P617-W620 HydrophobicContact CB-CB 3.65Å; P617-W620 HydrophobicContact CB-CD2 4.09Å; P617-W620 HydrophobicContact CB-CG 3.35Å; P617-W620 HydrophobicContact CG-CB 3.69Å; P617-W620 HydrophobicContact CG-CD2 3.85Å; P617-W620 HydrophobicContact CG-CE3 4.44Å; P617-W620 HydrophobicContact CG-CG 3.5Å; P617-W620 PolarHBondContact O-N 3.07Å
618	D	58.2	Low	65.8	Low	135 Å²	135	116 Å²	116	72%	0.722	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	-27.7	169.8	-75	-29	0	0	0	112.6
619	K	57.9	Low	66.3	Low	167 Å²	167	119.4 Å²	119.4	73%	0.726	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-18.2	175	-70.4	-173.8	177.8	179.8	0	114.4	P617 W621 Q622	P617-K619 PolarHBondContact O-N 2.67Å; P617-K619 VanDerWaalsContact O-N 3.14Å; K619-W621 VanDerWaalsContact C-N 3.3Å; K619-Q622 WeakPolarHBondContact O-CB 3.28Å; K619-Q622 PolarHBondContact O-N 3.19Å
620	W	59.8	Low	67.3	Low	153 Å²	153	122.3 Å²	122.3	58%	0.58	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-71.9	-27.3	176.3	-79.6	33.9	0	0	0	111.6	P617 Q622 W623 H624	P617-W620 HydrophobicContact CB-CB 3.65Å; P617-W620 HydrophobicContact CB-CD2 4.09Å; P617-W620 HydrophobicContact CB-CG 3.35Å; P617-W620 HydrophobicContact CG-CB 3.69Å; P617-W620 HydrophobicContact CG-CD2 3.85Å; P617-W620 HydrophobicContact CG-CE3 4.44Å; P617-W620 HydrophobicContact CG-CG 3.5Å; P617-W620 PolarHBondContact O-N 3.07Å; W620-Q622 PolarHBondContact O-N 3.47Å; W620-Q622 VanDerWaalsContact O-N 3.08Å; W620-W623 CarbonylContact O-C 3.54Å; W620-W623 PolarHBondContact O-N 3.44Å; W620-H624 AromaticContact CE3-CE1 3.83Å; W620-H624 AromaticContact CE3-NE2 3.7Å; W620-H624 PolarHBondContact O-CD2 2.97Å; W620-H624 VanDerWaalsContact O-CD2 3.24Å; W620-H624 PolarHBondContact O-N 2.89Å
621	W	59.9	Low	68.3	Low	199 Å²	199	121.5 Å²	121.5	75%	0.754	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-57.2	-22	171.6	-83.1	106.7	0	0	0	113.7	K619 P625	K619-W621 VanDerWaalsContact C-N 3.3Å; W621-P625 WeakPolarHBondContact O-CD 3.4Å
622	Q	65.8	Low	69.4	Low	152 Å²	152	121.1 Å²	121.1	71%	0.71	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-78.6	-23.5	173.6	-159.6	171.3	22.6	0	0	113.2	K619 W620	K619-Q622 WeakPolarHBondContact O-CB 3.28Å; K619-Q622 PolarHBondContact O-N 3.19Å; W620-Q622 PolarHBondContact O-N 3.47Å; W620-Q622 VanDerWaalsContact O-N 3.08Å
623	W	69.5	Low	70.8	Confident	191 Å²	191	117.5 Å²	117.5	72%	0.723	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	-29.4	-178.3	-66.6	94.8	0	0	0	113.6	W620 G626 L627	W620-W623 CarbonylContact O-C 3.54Å; W620-W623 PolarHBondContact O-N 3.44Å; W623-G626 WeakPolarHBondContact O-CA 3.48Å; W623-G626 PolarHBondContact O-N 3.42Å; W623-L627 PolarHBondContact O-N 3Å
624	H	73.3	Confident	72.5	Confident	71 Å²	71	118.6 Å²	118.6	33%	0.329	59%	0.585	S	S	.	*	H	α-helix	trans	-49.4	-46.8	174.4	-84.2	-56.4	0	0	0	114.7	W620 G626 L627 L628	W620-H624 AromaticContact CE3-CE1 3.83Å; W620-H624 AromaticContact CE3-NE2 3.7Å; W620-H624 PolarHBondContact O-CD2 2.97Å; W620-H624 VanDerWaalsContact O-CD2 3.24Å; W620-H624 PolarHBondContact O-N 2.89Å; H624-G626 VanDerWaalsContact C-N 3.29Å; H624-G626 PolarHBondContact O-N 2.83Å; H624-L627 PolarHBondContact O-N 2.92Å; H624-L628 WeakPolarHBondContact O-CB 3.5Å; H624-L628 WeakPolarHBondContact O-CG 3.36Å; H624-L628 PolarHBondContact O-N 2.94Å
625	P	79.2	Confident	74.1	Confident	78 Å²	78	117.4 Å²	117.4	51%	0.506	58%	0.578	S	S	.	*	H	α-helix	trans	-65.4	-32.7	177.1	24.3	-33.5	0	0	0	112.4	W621 F629	W621-P625 WeakPolarHBondContact O-CD 3.4Å; P625-F629 VanDerWaalsContact O-CB 3.24Å; P625-F629 WeakPolarHBondContact O-CB 3.34Å; P625-F629 PolarHBondContact O-N 3.33Å
626	G	83.7	Confident	75.4	Confident	41 Å²	41	115.5 Å²	115.5	42%	0.423	57%	0.568	S	S	.	*	H	α-helix	trans	-68.9	-42.2	173.7	0	0	0	0	0	112.6	W623 H624 F629 M630	W623-G626 WeakPolarHBondContact O-CA 3.48Å; W623-G626 PolarHBondContact O-N 3.42Å; H624-G626 VanDerWaalsContact C-N 3.29Å; H624-G626 PolarHBondContact O-N 2.83Å; G626-F629 PolarHBondContact O-N 3.18Å; G626-M630 WeakPolarHBondContact O-CG 3.32Å; G626-M630 PolarHBondContact O-N 2.91Å
627	L	82.5	Confident	76.9	Confident	118 Å²	118	112.4 Å²	112.4	62%	0.618	56%	0.556	S	S	*	*	H	α-helix	trans	-68.3	-43.3	178	-160.5	74.2	0	0	0	111.6	W623 H624 F629 M630 E631	W623-L627 PolarHBondContact O-N 3Å; H624-L627 PolarHBondContact O-N 2.92Å; L627-F629 VanDerWaalsContact C-N 3.31Å; L627-F629 PolarHBondContact O-N 3.47Å; L627-M630 PolarHBondContact O-N 3.07Å; L627-E631 PolarHBondContact O-N 3.24Å
628	L	81.3	Confident	78.5	Confident	110 Å²	110	114.9 Å²	114.9	58%	0.576	57%	0.566	S	S	*	*	H	α-helix	trans	-63	-35.9	173.4	-80.1	167.2	0	0	0	112.3	H624 F632	H624-L628 WeakPolarHBondContact O-CB 3.5Å; H624-L628 WeakPolarHBondContact O-CG 3.36Å; H624-L628 PolarHBondContact O-N 2.94Å; L628-F632 WeakPolarHBondContact O-CB 3.4Å; L628-F632 PolarHBondContact O-N 3.49Å
629	F	86.2	Confident	79.7	Confident	146 Å²	146	112.1 Å²	112.1	64%	0.64	55%	0.554	S	S	*	*	H	α-helix	trans	-67.2	-40.5	174.2	-170.2	-95.2	0	0	0	111.7	P625 G626 L627 F632 C633	P625-F629 VanDerWaalsContact O-CB 3.24Å; P625-F629 WeakPolarHBondContact O-CB 3.34Å; P625-F629 PolarHBondContact O-N 3.33Å; G626-F629 PolarHBondContact O-N 3.18Å; L627-F629 VanDerWaalsContact C-N 3.31Å; L627-F629 PolarHBondContact O-N 3.47Å; F629-F632 PolarHBondContact O-N 2.82Å; F629-C633 VanDerWaalsContact CE1-SG 3.55Å; F629-C633 WeakPolarHBondContact O-CB 3.49Å; F629-C633 PolarHBondContact O-N 2.98Å; F629-C633 PolarHBondContact O-SG 2.77Å
630	M	88.6	Confident	80.8	Confident	116 Å²	116	108.5 Å²	108.5	57%	0.571	54%	0.542	S	S	*	.	H	α-helix	trans	-64.2	-43.4	173.9	-73.7	-63.6	-65.8	0	0	112.5	G626 L627 C633 L634	G626-M630 WeakPolarHBondContact O-CG 3.32Å; G626-M630 PolarHBondContact O-N 2.91Å; L627-M630 PolarHBondContact O-N 3.07Å; M630-C633 PolarHBondContact O-N 2.85Å; M630-L634 WeakPolarHBondContact O-CB 3.22Å; M630-L634 WeakPolarHBondContact O-CG 3.4Å; M630-L634 PolarHBondContact O-N 2.91Å
631	E	87.6	Confident	81.9	Confident	112 Å²	112	109.5 Å²	109.5	52%	0.523	55%	0.551	S	S	.	*	H	α-helix	trans	-56.4	-50.4	170.5	-79.2	-73	137.5	0	0	111.2	L627 C633 L634 V635	L627-E631 PolarHBondContact O-N 3.24Å; E631-C633 VanDerWaalsContact C-N 3.34Å; E631-C633 PolarHBondContact O-N 3.19Å; E631-L634 PolarHBondContact O-N 2.95Å; E631-V635 WeakPolarHBondContact O-CG2 3.41Å; E631-V635 PolarHBondContact O-N 2.93Å
632	F	87.8	Confident	82.8	Confident	158 Å²	158	104 Å²	104	69%	0.693	54%	0.539	S	S	*	.	H	α-helix	trans	-62.3	-38.5	178.5	-114.2	-87.8	0	0	0	112.9	L628 F629 S636	L628-F632 WeakPolarHBondContact O-CB 3.4Å; L628-F632 PolarHBondContact O-N 3.49Å; F629-F632 PolarHBondContact O-N 2.82Å; F632-S636 WeakPolarHBondContact O-CB 3.4Å; F632-S636 PolarHBondContact O-N 3.01Å
633	C	88.9	Confident	83.3	Confident	50 Å²	50	101.9 Å²	101.9	34%	0.338	54%	0.536	S	S	.	.	H	α-helix	trans	-65.2	-44.1	174.1	-74.2	0	0	0	0	111.6	F629 M630 E631 S636 C637	F629-C633 VanDerWaalsContact CE1-SG 3.55Å; F629-C633 WeakPolarHBondContact O-CB 3.49Å; F629-C633 PolarHBondContact O-N 2.98Å; F629-C633 PolarHBondContact O-SG 2.77Å; M630-C633 PolarHBondContact O-N 2.85Å; E631-C633 VanDerWaalsContact C-N 3.34Å; E631-C633 PolarHBondContact O-N 3.19Å; C633-S636 PolarHBondContact O-N 2.95Å; C633-C637 WeakPolarHBondContact O-CB 3.41Å; C633-C637 PolarHBondContact O-N 2.71Å; C633-C637 PolarHBondContact O-SG 3.13Å
634	L	91.1	Very high	83.4	Confident	97 Å²	97	98.6 Å²	98.6	51%	0.508	53%	0.532	S	S	.	.	H	α-helix	trans	-62.7	-47.8	175.9	-77.8	168.1	0	0	0	111.8	M630 E631 S636 C637 I638	M630-L634 WeakPolarHBondContact O-CB 3.22Å; M630-L634 WeakPolarHBondContact O-CG 3.4Å; M630-L634 PolarHBondContact O-N 2.91Å; E631-L634 PolarHBondContact O-N 2.95Å; L634-S636 PolarHBondContact O-N 2.83Å; L634-C637 PolarHBondContact O-N 3.48Å; L634-I638 WeakPolarHBondContact O-CB 3.26Å; L634-I638 WeakPolarHBondContact O-CD1 3.26Å; L634-I638 VanDerWaalsContact O-CG1 3.25Å; L634-I638 WeakPolarHBondContact O-CG1 3.42Å; L634-I638 PolarHBondContact O-N 3.27Å
635	V	87.7	Confident	83	Confident	76 Å²	76	97.8 Å²	97.8	46%	0.461	54%	0.543	S	S	.	.	H	α-helix	trans	-61.2	-43.3	176.1	172.8	0	0	0	0	111	E631 C637 I638 V639	E631-V635 WeakPolarHBondContact O-CG2 3.41Å; E631-V635 PolarHBondContact O-N 2.93Å; V635-C637 PolarHBondContact O-N 3.25Å; V635-I638 PolarHBondContact O-N 3.24Å; V635-V639 HydrophobicContact CG1-CG2 4.37Å; V635-V639 WeakPolarHBondContact O-CB 3.4Å; V635-V639 VanDerWaalsContact O-CG2 3.3Å; V635-V639 WeakPolarHBondContact O-CG2 3.5Å; V635-V639 PolarHBondContact O-N 3.17Å
636	S	85.6	Confident	81.8	Confident	63 Å²	63	98.3 Å²	98.3	44%	0.441	55%	0.549	S	S	.	.	H	α-helix	trans	-61.8	-43.5	175.6	-173.2	0	0	0	0	112	F632 C633 L634 V639 L640	F632-S636 WeakPolarHBondContact O-CB 3.4Å; F632-S636 PolarHBondContact O-N 3.01Å; C633-S636 PolarHBondContact O-N 2.95Å; L634-S636 PolarHBondContact O-N 2.83Å; S636-V639 PolarHBondContact O-N 2.87Å; S636-L640 WeakPolarHBondContact O-CB 3.46Å; S636-L640 WeakPolarHBondContact O-CG 3.17Å; S636-L640 PolarHBondContact O-N 2.91Å
637	C	86.8	Confident	80.4	Confident	75 Å²	75	105.9 Å²	105.9	51%	0.507	57%	0.57	S	S	.	*	H	α-helix	trans	-62.6	-42	174.1	-73.5	0	0	0	0	112.3	C633 L634 V635 L640 F641	C633-C637 WeakPolarHBondContact O-CB 3.41Å; C633-C637 PolarHBondContact O-N 2.71Å; C633-C637 PolarHBondContact O-SG 3.13Å; L634-C637 PolarHBondContact O-N 3.48Å; V635-C637 PolarHBondContact O-N 3.25Å; C637-L640 PolarHBondContact O-N 3.25Å; C637-F641 WeakPolarHBondContact O-CB 3.35Å; C637-F641 PolarHBondContact O-N 2.85Å
638	I	86.7	Confident	79	Confident	104 Å²	104	104.4 Å²	104.4	53%	0.533	57%	0.569	S	S	.	*	H	α-helix	trans	-66.6	-40.7	177.1	-69.1	162.9	0	0	0	111.2	L634 V635 F641 T642	L634-I638 WeakPolarHBondContact O-CB 3.26Å; L634-I638 WeakPolarHBondContact O-CD1 3.26Å; L634-I638 VanDerWaalsContact O-CG1 3.25Å; L634-I638 WeakPolarHBondContact O-CG1 3.42Å; L634-I638 PolarHBondContact O-N 3.27Å; V635-I638 PolarHBondContact O-N 3.24Å; I638-F641 PolarHBondContact O-N 3.31Å; I638-T642 WeakPolarHBondContact O-CB 3.4Å; I638-T642 WeakPolarHBondContact O-CG2 3.23Å; I638-T642 PolarHBondContact O-N 3.14Å; I638-T642 PolarHBondContact O-OG1 3.19Å
639	V	83.8	Confident	77.3	Confident	77 Å²	77	104.9 Å²	104.9	47%	0.467	58%	0.577	S	S	.	*	H	α-helix	trans	-64.8	-42.7	174.6	170.4	0	0	0	0	110.7	V635 S636 T642 V643	V635-V639 HydrophobicContact CG1-CG2 4.37Å; V635-V639 WeakPolarHBondContact O-CB 3.4Å; V635-V639 VanDerWaalsContact O-CG2 3.3Å; V635-V639 WeakPolarHBondContact O-CG2 3.5Å; V635-V639 PolarHBondContact O-N 3.17Å; S636-V639 PolarHBondContact O-N 2.87Å; V639-T642 WeakPolarHBondContact CA-OG1 3.45Å; V639-T642 PolarHBondContact O-N 2.93Å; V639-T642 PolarHBondContact O-OG1 3.06Å; V639-T642 VanDerWaalsContact O-OG1 3.1Å; V639-V643 HydrophobicContact CG1-CG2 4.3Å; V639-V643 VanDerWaalsContact O-CB 3.27Å; V639-V643 WeakPolarHBondContact O-CB 3.48Å; V639-V643 WeakPolarHBondContact O-CG2 3.49Å; V639-V643 PolarHBondContact O-N 2.04Å
640	L	81.9	Confident	75.7	Confident	92 Å²	92	102.7 Å²	102.7	48%	0.482	58%	0.58	S	S	.	*	H	α-helix	trans	-63.3	-42.7	173.4	-77.4	167	0	0	0	112.1	S636 C637 V643 L644	S636-L640 WeakPolarHBondContact O-CB 3.46Å; S636-L640 WeakPolarHBondContact O-CG 3.17Å; S636-L640 PolarHBondContact O-N 2.91Å; C637-L640 PolarHBondContact O-N 3.25Å; L640-V643 PolarHBondContact O-N 3.46Å; L640-L644 HydrophobicContact CD2-CD1 4.34Å; L640-L644 VanDerWaalsContact O-CB 3.23Å; L640-L644 WeakPolarHBondContact O-CB 3.09Å; L640-L644 VanDerWaalsContact O-CG 3.29Å; L640-L644 WeakPolarHBondContact O-CG 3.1Å; L640-L644 PolarHBondContact O-N 3.33Å
641	F	81.7	Confident	74	Confident	174 Å²	174	108.9 Å²	108.9	76%	0.763	60%	0.597	S	S	*	*	H	α-helix	trans	-65.9	-38.7	178.7	-124.9	-86.1	0	0	0	112.7	C637 I638 G645	C637-F641 WeakPolarHBondContact O-CB 3.35Å; C637-F641 PolarHBondContact O-N 2.85Å; I638-F641 PolarHBondContact O-N 3.31Å; F641-G645 VanDerWaalsContact O-CA 3.3Å; F641-G645 WeakPolarHBondContact O-CA 3.38Å; F641-G645 PolarHBondContact O-N 3.47Å
642	T	78.3	Confident	72.4	Confident	82 Å²	82	110.1 Å²	110.1	50%	0.503	61%	0.606	S	S	.	*	H	α-helix	trans	-73.7	-37.5	177.2	49	0	0	0	0	112.4	I638 V639 S646	I638-T642 WeakPolarHBondContact O-CB 3.4Å; I638-T642 WeakPolarHBondContact O-CG2 3.23Å; I638-T642 PolarHBondContact O-N 3.14Å; I638-T642 PolarHBondContact O-OG1 3.19Å; V639-T642 WeakPolarHBondContact CA-OG1 3.45Å; V639-T642 PolarHBondContact O-N 2.93Å; V639-T642 PolarHBondContact O-OG1 3.06Å; V639-T642 VanDerWaalsContact O-OG1 3.1Å; T642-S646 WeakPolarHBondContact O-CB 3Å; T642-S646 PolarHBondContact O-N 3.13Å
643	V	76.5	Confident	71.1	Confident	108 Å²	108	111.2 Å²	111.2	66%	0.655	61%	0.606	S	S	*	*	H	α-helix	trans	-74.3	-34.8	177.4	171.7	0	0	0	0	112.9	V639 L640	V639-V643 HydrophobicContact CG1-CG2 4.3Å; V639-V643 VanDerWaalsContact O-CB 3.27Å; V639-V643 WeakPolarHBondContact O-CB 3.48Å; V639-V643 WeakPolarHBondContact O-CG2 3.49Å; V639-V643 PolarHBondContact O-N 2.04Å; L640-V643 PolarHBondContact O-N 3.46Å
644	L	72.4	Confident	69.7	Low	123 Å²	123	120 Å²	120	64%	0.644	63%	0.632	S	S	*	*	H	α-helix	trans	-91.1	-31.7	179.9	-63.6	172.9	0	0	0	113.4	L640	L640-L644 HydrophobicContact CD2-CD1 4.34Å; L640-L644 VanDerWaalsContact O-CB 3.23Å; L640-L644 WeakPolarHBondContact O-CB 3.09Å; L640-L644 VanDerWaalsContact O-CG 3.29Å; L640-L644 WeakPolarHBondContact O-CG 3.1Å; L640-L644 PolarHBondContact O-N 3.33Å
645	G	65.2	Low	68.7	Low	54 Å²	54	118.3 Å²	118.3	56%	0.557	63%	0.628	S	S	*	*	H	α-helix	trans	-77.3	-45.1	-177.9	0	0	0	0	0	113.4	F641 K647	F641-G645 VanDerWaalsContact O-CA 3.3Å; F641-G645 WeakPolarHBondContact O-CA 3.38Å; F641-G645 PolarHBondContact O-N 3.47Å; G645-K647 VanDerWaalsContact C-N 3.31Å; G645-K647 PolarHBondContact O-N 3.45Å
646	S	53.8	Low	68.1	Low	89 Å²	89	118 Å²	118	62%	0.622	62%	0.624	S	S	*	*			trans	-81	75	-177.2	-70.9	0	0	0	0	112.4	T642 S648	T642-S646 WeakPolarHBondContact O-CB 3Å; T642-S646 PolarHBondContact O-N 3.13Å; S646-S648 PolarHBondContact O-N 3.44Å
647	K	53.5	Low	67.5	Low	200 Å²	200	118.7 Å²	118.7	87%	0.87	63%	0.625	S	S	*	*			trans	-69.3	52	165.7	-68.8	-178.7	177.9	174.5	0	112.5	G645	G645-K647 VanDerWaalsContact C-N 3.31Å; G645-K647 PolarHBondContact O-N 3.45Å
648	S	53.8	Low	67	Low	86 Å²	86	117.6 Å²	117.6	60%	0.601	62%	0.622	S	S	*	*			trans	-152.4	140.4	171.4	-158.7	0	0	0	0	112.4	S646	S646-S648 PolarHBondContact O-N 3.44Å
649	T	45.6	Very low	66.5	Low	121 Å²	121	119.3 Å²	119.3	74%	0.742	63%	0.625	S	S	*	*			trans	20.6	130.9	146.6	58.6	0	0	0	0	120.2
650	S	52.7	Low	66.3	Low	99 Å²	99	119.8 Å²	119.8	69%	0.692	63%	0.628	S	S	*	*			cis	-175.5	133.5	-6.2	42.3	0	0	0	0	111	L652	S650-L652 PolarHBondContact O-N 2.93Å
651	R	52	Low	66.2	Low	247 Å²	247	119 Å²	119	93%	0.932	63%	0.627	S	S	*	*			trans	49.9	45	154	-55.1	-172.5	-176.4	-158.7	2.5	118.6
652	L	54.3	Low	66.1	Low	138 Å²	138	115.9 Å²	115.9	72%	0.723	62%	0.616	S	S	*	*			trans	-74.2	127.1	153	-152.2	71.5	0	0	0	107.9	S650 V657	S650-L652 PolarHBondContact O-N 2.93Å; L652-V657 HydrophobicContact CD2-CG2 3.92Å
653	R	60	Low	66	Low	181 Å²	181	116.8 Å²	116.8	68%	0.683	62%	0.618	S	S	*	*			trans	-76.3	146.8	-176.7	-73	177.2	156.6	-179.1	-5.3	110.4	S655 D656	R653-S655 WeakPolarHBondContact CB-OG 3.27Å; R653-S655 PolarHBondContact O-N 3.38Å; R653-S655 VanDerWaalsContact O-N 3.14Å; R653-D656 WeakPolarHBondContact CB-OD2 3.22Å; R653-D656 PolarHBondContact N-OD2 2.89Å; R653-D656 PolarHBondContact O-N 3.34Å
654	R	60.8	Low	66.1	Low	233 Å²	233	116.4 Å²	116.4	88%	0.879	61%	0.611	S	S	*	*	H	α-helix	trans	-55.8	-27.6	170.2	-75.5	-178.8	173.1	147.4	-2.6	113	D656 A658	R654-D656 PolarHBondContact O-N 2.78Å; R654-A658 WeakPolarHBondContact O-CB 3.15Å; R654-A658 PolarHBondContact O-N 3.41Å
655	S	70.2	Confident	66.3	Low	62 Å²	62	115.3 Å²	115.3	43%	0.434	61%	0.605	S	S	.	*	H	α-helix	trans	-59.2	-34	173.1	47.2	0	0	0	0	113.4	R653 K659	R653-S655 WeakPolarHBondContact CB-OG 3.27Å; R653-S655 PolarHBondContact O-N 3.38Å; R653-S655 VanDerWaalsContact O-N 3.14Å; S655-K659 WeakPolarHBondContact O-CB 3.44Å; S655-K659 PolarHBondContact O-N 2.76Å
656	D	74.2	Confident	66.6	Low	70 Å²	70	118.7 Å²	118.7	37%	0.374	61%	0.608	S	S	.	*	H	α-helix	trans	-88.6	-40.5	-164.9	-45.1	-21.5	0	0	0	109.4	R653 R654 K659 V660	R653-D656 WeakPolarHBondContact CB-OD2 3.22Å; R653-D656 PolarHBondContact N-OD2 2.89Å; R653-D656 PolarHBondContact O-N 3.34Å; R654-D656 PolarHBondContact O-N 2.78Å; D656-K659 WeakPolarHBondContact O-CB 3.17Å; D656-K659 PolarHBondContact O-N 3.03Å; D656-V660 PolarHBondContact O-N 2.98Å
657	V	73.3	Confident	67.5	Low	77 Å²	77	117.5 Å²	117.5	47%	0.467	60%	0.6	S	S	.	*	H	α-helix	trans	-63.3	-43.9	168	-176.1	0	0	0	0	110.8	L652 K659 V660 V661	L652-V657 HydrophobicContact CD2-CG2 3.92Å; V657-K659 VanDerWaalsContact C-N 3.26Å; V657-K659 PolarHBondContact O-N 3.02Å; V657-V660 PolarHBondContact O-N 2.8Å; V657-V661 HydrophobicContact CG1-CG2 4.43Å; V657-V661 WeakPolarHBondContact O-CG2 3.28Å; V657-V661 PolarHBondContact O-N 3.37Å
658	A	76	Confident	67.7	Low	52 Å²	52	115.1 Å²	115.1	43%	0.43	59%	0.592	S	S	.	*	H	α-helix	trans	-61.1	-36.5	174.9	0	0	0	0	0	111.9	R654 M662	R654-A658 WeakPolarHBondContact O-CB 3.15Å; R654-A658 PolarHBondContact O-N 3.41Å; A658-M662 VanDerWaalsContact O-CB 3.29Å; A658-M662 WeakPolarHBondContact O-CB 3.4Å; A658-M662 WeakPolarHBondContact O-CG 3.22Å; A658-M662 PolarHBondContact O-N 3.35Å
659	K	77	Confident	67.9	Low	141 Å²	141	117.3 Å²	117.3	61%	0.613	59%	0.594	S	S	*	*	H	α-helix	trans	-61.6	-55.4	173.2	-120.6	-173.1	175.1	-167.5	0	111.8	S655 D656 V657 V661 M662 D663	S655-K659 WeakPolarHBondContact O-CB 3.44Å; S655-K659 PolarHBondContact O-N 2.76Å; D656-K659 WeakPolarHBondContact O-CB 3.17Å; D656-K659 PolarHBondContact O-N 3.03Å; V657-K659 VanDerWaalsContact C-N 3.26Å; V657-K659 PolarHBondContact O-N 3.02Å; K659-V661 VanDerWaalsContact C-N 3.31Å; K659-V661 PolarHBondContact O-N 3.05Å; K659-M662 PolarHBondContact O-N 2.91Å; K659-M662 VanDerWaalsContact O-N 3.13Å; K659-D663 WeakPolarHBondContact O-CB 3.32Å; K659-D663 PolarHBondContact O-N 3.48Å
660	V	78.9	Confident	68.3	Low	86 Å²	86	115.6 Å²	115.6	52%	0.521	59%	0.587	S	S	.	*	H	α-helix	trans	-58.6	-41.8	-178.7	174.3	0	0	0	0	111.8	D656 V657 I664	D656-V660 PolarHBondContact O-N 2.98Å; V657-V660 PolarHBondContact O-N 2.8Å; V660-I664 HydrophobicContact CG1-CD1 3.89Å; V660-I664 WeakPolarHBondContact O-CB 3.49Å; V660-I664 WeakPolarHBondContact O-CD1 3.46Å; V660-I664 VanDerWaalsContact O-CG1 3.25Å; V660-I664 WeakPolarHBondContact O-CG1 3.29Å; V660-I664 PolarHBondContact O-N 2.55Å
661	V	80.8	Confident	68.2	Low	76 Å²	76	116.9 Å²	116.9	46%	0.461	59%	0.59	S	S	.	*	H	α-helix	trans	-66	-42.6	177.1	172.5	0	0	0	0	111.8	V657 K659 L665	V657-V661 HydrophobicContact CG1-CG2 4.43Å; V657-V661 WeakPolarHBondContact O-CG2 3.28Å; V657-V661 PolarHBondContact O-N 3.37Å; K659-V661 VanDerWaalsContact C-N 3.31Å; K659-V661 PolarHBondContact O-N 3.05Å; V661-L665 HydrophobicContact CG1-CD1 3.95Å; V661-L665 WeakPolarHBondContact O-CB 3.48Å; V661-L665 WeakPolarHBondContact O-CG 3.45Å; V661-L665 PolarHBondContact O-N 3.02Å
662	M	78	Confident	67.6	Low	109 Å²	109	112.7 Å²	112.7	54%	0.537	59%	0.586	S	S	.	*	H	α-helix	trans	-70	-38.5	177.1	-69.9	-67.1	-68.8	0	0	112.4	A658 K659 I664 L665 M666	A658-M662 VanDerWaalsContact O-CB 3.29Å; A658-M662 WeakPolarHBondContact O-CB 3.4Å; A658-M662 WeakPolarHBondContact O-CG 3.22Å; A658-M662 PolarHBondContact O-N 3.35Å; K659-M662 PolarHBondContact O-N 2.91Å; K659-M662 VanDerWaalsContact O-N 3.13Å; M662-I664 VanDerWaalsContact C-N 3.34Å; M662-I664 PolarHBondContact O-N 2.88Å; M662-L665 PolarHBondContact O-N 3.45Å; M662-M666 WeakPolarHBondContact O-CB 3.42Å; M662-M666 WeakPolarHBondContact O-CG 3.43Å; M662-M666 PolarHBondContact O-N 2.98Å
663	D	77.9	Confident	67.1	Low	100 Å²	100	110.3 Å²	110.3	54%	0.535	58%	0.577	S	S	.	*	H	α-helix	trans	-64.9	-38.5	177.8	-69	-30.5	0	0	0	110.7	K659 S667	K659-D663 WeakPolarHBondContact O-CB 3.32Å; K659-D663 PolarHBondContact O-N 3.48Å; D663-S667 WeakPolarHBondContact O-CB 3.35Å; D663-S667 PolarHBondContact O-N 3.2Å
664	I	77.7	Confident	65.8	Low	101 Å²	101	111.3 Å²	111.3	52%	0.518	59%	0.59	S	S	.	*	H	α-helix	trans	-64.5	-52.8	172.3	-69.9	166.8	0	0	0	110.9	V660 M662 M666 S667 E668	V660-I664 HydrophobicContact CG1-CD1 3.89Å; V660-I664 WeakPolarHBondContact O-CB 3.49Å; V660-I664 WeakPolarHBondContact O-CD1 3.46Å; V660-I664 VanDerWaalsContact O-CG1 3.25Å; V660-I664 WeakPolarHBondContact O-CG1 3.29Å; V660-I664 PolarHBondContact O-N 2.55Å; M662-I664 VanDerWaalsContact C-N 3.34Å; M662-I664 PolarHBondContact O-N 2.88Å; I664-M666 VanDerWaalsContact C-N 3.32Å; I664-M666 PolarHBondContact O-N 2.8Å; I664-S667 WeakPolarHBondContact O-CB 3.42Å; I664-S667 PolarHBondContact O-N 3.07Å; I664-S667 PolarHBondContact O-OG 3Å; I664-E668 PolarHBondContact O-N 2.93Å
665	L	76.1	Confident	64.7	Low	99 Å²	99	105 Å²	105	52%	0.518	58%	0.579	S	S	.	*	H	α-helix	trans	-60.2	-39.5	179.7	-74	167.8	0	0	0	112.9	V661 M662 S667 M669	V661-L665 HydrophobicContact CG1-CD1 3.95Å; V661-L665 WeakPolarHBondContact O-CB 3.48Å; V661-L665 WeakPolarHBondContact O-CG 3.45Å; V661-L665 PolarHBondContact O-N 3.02Å; M662-L665 PolarHBondContact O-N 3.45Å; L665-S667 VanDerWaalsContact C-N 3.32Å; L665-M669 PolarHBondContact O-N 3.37Å
666	M	73	Confident	62.8	Low	125 Å²	125	106.5 Å²	106.5	62%	0.616	59%	0.589	S	S	*	*	H	α-helix	trans	-67.7	-31.3	175.8	-72	-77.4	-70.2	0	0	112.2	M662 I664 S670	M662-M666 WeakPolarHBondContact O-CB 3.42Å; M662-M666 WeakPolarHBondContact O-CG 3.43Å; M662-M666 PolarHBondContact O-N 2.98Å; I664-M666 VanDerWaalsContact C-N 3.32Å; I664-M666 PolarHBondContact O-N 2.8Å; M666-S670 PolarHBondContact O-N 2.86Å
667	S	71.7	Confident	60.9	Low	64 Å²	64	113.6 Å²	113.6	45%	0.448	61%	0.612	S	S	.	*	H	α-helix	trans	-66.1	-46	179.1	76.4	0	0	0	0	112.2	D663 I664 L665 S670	D663-S667 WeakPolarHBondContact O-CB 3.35Å; D663-S667 PolarHBondContact O-N 3.2Å; I664-S667 WeakPolarHBondContact O-CB 3.42Å; I664-S667 PolarHBondContact O-N 3.07Å; I664-S667 PolarHBondContact O-OG 3Å; L665-S667 VanDerWaalsContact C-N 3.32Å; S667-S670 PolarHBondContact O-N 2.78Å; S667-S670 PolarHBondContact O-OG 2.93Å
668	E	58	Low	59.2	Low	150 Å²	150	117 Å²	117	70%	0.701	63%	0.627	S	S	*	*	H	α-helix	trans	-72.1	-40.2	-179.6	-64.8	-160.3	143.8	0	0	112.7	I664 S670 V671	I664-E668 PolarHBondContact O-N 2.93Å; E668-S670 PolarHBondContact O-N 2.56Å; E668-S670 VanDerWaalsContact O-N 3.16Å; E668-V671 PolarHBondContact O-N 3.29Å
669	M	57.5	Low	57.3	Low	132 Å²	132	122.1 Å²	122.1	65%	0.65	64%	0.642	S	S	*	*	H	α-helix	trans	-62.5	-22.8	176.3	-74.1	-172.4	68.3	0	0	113.6	L665 V671 T673	L665-M669 PolarHBondContact O-N 3.37Å; M669-V671 VanDerWaalsContact C-N 3.3Å; M669-V671 PolarHBondContact O-N 2.81Å; M669-T673 PolarHBondContact O-OG1 3.28Å
670	S	54.6	Low	55.2	Low	86 Å²	86	121.4 Å²	121.4	60%	0.601	65%	0.645	S	S	*	*	H	α-helix	trans	-70.6	-21.5	-179.9	77.6	0	0	0	0	114.4	M666 S667 E668	M666-S670 PolarHBondContact O-N 2.86Å; S667-S670 PolarHBondContact O-N 2.78Å; S667-S670 PolarHBondContact O-OG 2.93Å; E668-S670 PolarHBondContact O-N 2.56Å; E668-S670 VanDerWaalsContact O-N 3.16Å
671	V	49.6	Very low	53.3	Low	125 Å²	125	121 Å²	121	76%	0.758	65%	0.646	S	S	*	*	H	α-helix	trans	-87.1	-23.1	-175.6	-177.1	0	0	0	0	112.4	E668 M669	E668-V671 PolarHBondContact O-N 3.29Å; M669-V671 VanDerWaalsContact C-N 3.3Å; M669-V671 PolarHBondContact O-N 2.81Å
672	L	41	Very low	51.2	Low	160 Å²	160	124.2 Å²	124.2	84%	0.838	66%	0.66	S	S	*	*	H	α-helix	trans	-109.3	1.1	-172.8	-92.5	162.2	0	0	0	115.2
673	T	42.8	Very low	49.3	Very low	88 Å²	88	125 Å²	125	54%	0.54	66%	0.663	S	S	.	*			trans	-136.9	89.8	-171.5	-16.9	0	0	0	0	113.5	M669	M669-T673 PolarHBondContact O-OG1 3.28Å
674	Q	33	Very low	47.2	Very low	202 Å²	202	127.2 Å²	127.2	94%	0.944	68%	0.679	S	S	*	*			trans	-123.7	88.6	166.2	-152.6	-178.3	36.4	0	0	111.6
675	P	37.1	Very low	45.3	Very low	101 Å²	101	129.6 Å²	129.6	66%	0.656	68%	0.682	S	S	*	*			trans	-94.9	140.8	-179	35.1	-32.3	0	0	0	114
676	S	31.6	Very low	43.4	Very low	92 Å²	92	134.9 Å²	134.9	64%	0.643	70%	0.695	S	S	*	*			trans	0.4	135.9	152	56.3	0	0	0	0	120.6
677	Y	33.2	Very low	41.6	Very low	219 Å²	219	135 Å²	135	86%	0.859	70%	0.702	S	S	*	*				180	171.3	102.8	-108.3	-80	0	0	0	112.3
678	L	37.4	Very low	39.9	Very low	149 Å²	149	139.1 Å²	139.1	78%	0.78	72%	0.72	S	S	*	*			trans	68.2	131.1	-172.1	-62.7	163.8	0	0	0	113.1
679	Q	36.4	Very low	39	Very low	159 Å²	159	138 Å²	138	74%	0.743	72%	0.722	S	S	*	*			cis	-161.6	149.7	-4.5	-154.6	162	4.9	0	0	107.5
680	N	33.4	Very low	37.9	Very low	127 Å²	127	142.5 Å²	142.5	68%	0.679	73%	0.732	S	S	*	*			cis	-146.6	163.9	13.7	-153.8	53.6	0	0	0	112.7
681	S	37.8	Very low	37.2	Very low	77 Å²	77	143.7 Å²	143.7	54%	0.538	74%	0.738	S	S	.	*			trans	-31.5	169.7	151.4	-64.7	0	0	0	0	119.4
682	D	36.6	Very low	36.6	Very low	143 Å²	143	142.9 Å²	142.9	77%	0.765	74%	0.738	S	S	*	*			cis	171.5	171.9	-15.2	-86.5	-35.8	0	0	0	105.4
683	E	37.9	Very low	36.8	Very low	126 Å²	126	140.6 Å²	140.6	59%	0.589	73%	0.733	S	S	*	*			cis	-161.6	154	-25.4	171.1	179.7	-158.5	0	0	105.7	R685	E683-R685 IonicContact OE1-CZ 3.17Å; E683-R685 IonicContact OE1-NH1 2.86Å; E683-R685 PolarHBondContact OE1-NH1 2.86Å; E683-R685 IonicContact OE1-NH2 2.64Å; E683-R685 PolarHBondContact OE1-NH2 3.28Å; E683-R685 IonicContact OE2-CZ 3.77Å; E683-R685 IonicContact OE2-NH1 2.82Å; E683-R685 PolarHBondContact OE2-NH1 3.29Å; E683-R685 IonicContact OE2-NH2 3.86Å
684	V	35	Very low	36.7	Very low	146 Å²	146	141.9 Å²	141.9	89%	0.885	75%	0.745	S	S	*	*			trans	-103.2	112.2	179.3	176.7	0	0	0	0	112
685	R	36.9	Very low	37	Very low	152 Å²	152	136.9 Å²	136.9	57%	0.574	73%	0.732	S	S	*	*			trans	-147.9	108.3	171.2	-163.9	174.3	-75.7	104.2	1.5	114.7	E683	E683-R685 IonicContact OE1-CZ 3.17Å; E683-R685 IonicContact OE1-NH1 2.86Å; E683-R685 PolarHBondContact OE1-NH1 2.86Å; E683-R685 IonicContact OE1-NH2 2.64Å; E683-R685 PolarHBondContact OE1-NH2 3.28Å; E683-R685 IonicContact OE2-CZ 3.77Å; E683-R685 IonicContact OE2-NH1 2.82Å; E683-R685 PolarHBondContact OE2-NH1 3.29Å; E683-R685 IonicContact OE2-NH2 3.86Å
686	R	35.8	Very low	37.2	Very low	210 Å²	210	138.7 Å²	138.7	79%	0.792	74%	0.742	S	S	*	*			trans	40.3	124.9	145.8	-53.9	-178.6	-167.5	118.4	4.1	121.1
687	V	36.8	Very low	37.6	Very low	126 Å²	126	138.6 Å²	138.6	76%	0.764	75%	0.746	S	S	*	*				49.5	111.4	127.8	-175.1	0	0	0	0	118.3
688	D	36.1	Very low	38.1	Very low	152 Å²	152	132.7 Å²	132.7	81%	0.813	74%	0.737	S	S	*	*				-163	-174.8	104.9	-123.4	-40.3	0	0	0	115.5
689	V	39	Very low	38	Very low	125 Å²	125	131.7 Å²	131.7	76%	0.758	73%	0.732	S	S	*	*			trans	-71.3	154.9	-158.1	168.5	0	0	0	0	119.1
690	R	34.2	Very low	38	Very low	227 Å²	227	132.6 Å²	132.6	86%	0.857	73%	0.734	S	S	*	*			trans	-31.7	174.4	158.6	-84.3	-178.1	-177.3	176.8	2.6	118.5
691	P	39.9	Very low	38	Very low	112 Å²	112	131.6 Å²	131.6	73%	0.727	74%	0.737	S	S	*	*			cis	-135.6	-177.5	-3.6	25.1	0.1	0	0	0	117.1
692	S	36.1	Very low	38	Very low	108 Å²	108	132.3 Å²	132.3	76%	0.755	74%	0.742	S	S	*	*			trans	-55	-173.5	161.8	-29.1	0	0	0	0	115.2
693	P	46.1	Very low	37.8	Very low	112 Å²	112	136.9 Å²	136.9	73%	0.727	75%	0.749	S	S	*	*			cis	-146.9	-170.3	10.6	43.6	-22.7	0	0	0	118.8
694	S	39.2	Very low	37.5	Very low	115 Å²	115	135.2 Å²	135.2	80%	0.804	76%	0.756	S	S	*	*			trans	84.7	153	155.7	88	0	0	0	0	117.3
695	S	41.3	Very low	37.2	Very low	96 Å²	96	136 Å²	136	67%	0.671	76%	0.755	S	S	*	*			cis	-152.5	154.5	4	74.5	0	0	0	0	112.7
696	V	40.9	Very low	37.3	Very low	140 Å²	140	135.2 Å²	135.2	85%	0.848	77%	0.767	S	S	*	*			trans	50.3	132.4	138.8	174	0	0	0	0	118.6
697	A	40.2	Very low	37.1	Very low	90 Å²	90	132 Å²	132	74%	0.744	77%	0.765	S	S	*	*			cis	-166.2	-167.9	11.3	0	0	0	0	0	109.2
698	S	42.1	Very low	37.2	Very low	95 Å²	95	132.2 Å²	132.2	66%	0.664	77%	0.767	S	S	*	*			cis	174.3	150.8	-42.9	-173.1	0	0	0	0	109.6
699	N	37	Very low	37.1	Very low	127 Å²	127	132.6 Å²	132.6	68%	0.679	77%	0.769	S	S	*	*			trans	65.1	158.2	170	-67.4	-40.5	0	0	0	117.7
700	K	36.2	Very low	37	Very low	178 Å²	178	130.2 Å²	130.2	77%	0.774	77%	0.77	S	S	*	*			cis	-165.2	143.1	-27.5	-114.7	170.5	-173.4	168	0	111.1
701	S	33.6	Very low	37.1	Very low	106 Å²	106	129.1 Å²	129.1	74%	0.741	77%	0.771	S	S	*	*			trans	70.5	152.6	140.4	-158.6	0	0	0	0	122.3
702	S	36	Very low	36.8	Very low	93 Å²	93	135.5 Å²	135.5	65%	0.65	78%	0.781	S	S	*	*			trans	90.4	115.2	146	-58.2	0	0	0	0	121.3
703	R	34.1	Very low	36.5	Very low	239 Å²	239	140 Å²	140	90%	0.902	79%	0.786	S	S	*	*			trans	63.9	121.3	147.6	-56.9	171.9	-175.2	168.9	0.7	116.6
704	A	30.9	Very low	36	Very low	91 Å²	91	140.7 Å²	140.7	75%	0.752	79%	0.788	S	S	*	*			cis	89.3	136.4	40.6	0	0	0	0	0	115.1
705	L	29.2	Very low	35.6	Very low	163 Å²	163	143 Å²	143	85%	0.853	78%	0.784	S	S	*	*			trans	85.8	149.7	174.7	-58.1	173.2	0	0	0	118.5
706	T	39.3	Very low	35.4	Very low	134 Å²	134	145.2 Å²	145.2	82%	0.822	79%	0.788	S	S	*	*			trans	57.9	118.2	179.5	56.3	0	0	0	0	116.1
707	N	31.2	Very low	35.1	Very low	143 Å²	143	145 Å²	145	77%	0.765	78%	0.781	S	S	*	*			cis	69.9	104.9	41.8	-168.9	16	0	0	0	114.5
708	V	39.4	Very low	34.9	Very low	131 Å²	131	146.5 Å²	146.5	79%	0.794	78%	0.776	S	S	*	*			trans	-176.6	156.5	131.2	143.2	0	0	0	0	110.3
709	N	33.9	Very low	34.6	Very low	160 Å²	160	152.5 Å²	152.5	86%	0.856	78%	0.784	S	S	*	*			trans	-70.6	154.6	-175.4	-60.7	-67.2	0	0	0	115.1
710	G	37	Very low	34.6	Very low	75 Å²	75	151 Å²	151	77%	0.773	78%	0.784	S	S	*	*			trans	-158	109.6	165.1	0	0	0	0	0	113.3
711	K	34.8	Very low	34.8	Very low	204 Å²	204	147.4 Å²	147.4	89%	0.887	78%	0.781	S	S	*	*			trans	-84.7	142.2	174.2	-67.2	173.1	179.2	169.7	0	110.8
712	W	34.3	Very low	35.1	Very low	245 Å²	245	154.1 Å²	154.1	93%	0.928	79%	0.79	S	S	*	*			trans	-135.1	142.9	154.2	-79.3	84.7	0	0	0	110.4
713	K	29.8	Very low	35.2	Very low	202 Å²	202	155.7 Å²	155.7	88%	0.878	80%	0.796	S	S	*	*			trans	-157.6	108.2	-175.4	-179	-168.8	178.5	-173.5	0	110.6
714	V	35.1	Very low	35.4	Very low	127 Å²	127	150.1 Å²	150.1	77%	0.77	78%	0.784	S	S	*	*			trans	-153.7	152.1	-179.4	-176.7	0	0	0	0	107.7
715	F	31.6	Very low	35.8	Very low	163 Å²	163	156.3 Å²	156.3	72%	0.715	79%	0.788	S	S	*	*			cis	-166	-168.4	-42.8	-159.1	-106.5	0	0	0	107.1	L717	F715-L717 HydrophobicContact CE1-CD1 4.5Å; F715-L717 HydrophobicContact CE1-CG 4.44Å
716	L	36.5	Very low	36.3	Very low	144 Å²	144	159 Å²	159	75%	0.754	79%	0.786	S	S	*	*			trans	80.1	111.6	176.6	-48.4	172.8	0	0	0	113.3
717	L	35	Very low	36.5	Very low	135 Å²	135	157.3 Å²	157.3	71%	0.707	78%	0.776	S	S	*	*				76.6	141	64.2	-63.4	177.7	0	0	0	111.9	F715	F715-L717 HydrophobicContact CE1-CD1 4.5Å; F715-L717 HydrophobicContact CE1-CG 4.44Å
718	L	35.3	Very low	36.9	Very low	122 Å²	122	157.4 Å²	157.4	64%	0.639	78%	0.777	S	S	*	*			cis	-161.2	144.7	20.5	-168.3	70.3	0	0	0	113.2
719	R	36.6	Very low	36.9	Very low	220 Å²	220	155.1 Å²	155.1	83%	0.83	77%	0.772	S	S	*	*			trans	59.8	163	158	-82.5	168.9	176	165.5	-2	118.5
720	S	36.9	Very low	37.2	Very low	97 Å²	97	153 Å²	153	68%	0.678	77%	0.77	S	S	*	*			cis	-174.2	170.4	-34.6	-101.4	0	0	0	0	110.1
721	S	40.1	Very low	37.2	Very low	102 Å²	102	157.4 Å²	157.4	71%	0.713	77%	0.772	S	S	*	*			cis	174.3	114.2	-30.5	-82.8	0	0	0	0	109.2
722	R	39.5	Very low	37.2	Very low	246 Å²	246	158.2 Å²	158.2	93%	0.928	77%	0.769	S	S	*	*			trans	-153.9	108.9	164.1	-107.9	167.4	-162.5	-171.2	4.5	113.8
723	T	39.3	Very low	37.2	Very low	126 Å²	126	156.2 Å²	156.2	77%	0.773	77%	0.767	S	S	*	*			trans	9.2	146.7	141	54.3	0	0	0	0	119.8
724	L	38	Very low	37.4	Very low	123 Å²	123	151 Å²	151	64%	0.644	76%	0.762	S	S	*	*				-171.1	120.9	59.8	-176.8	76.7	0	0	0	115.7
725	R	38.4	Very low	37.4	Very low	220 Å²	220	150.5 Å²	150.5	83%	0.83	76%	0.764	S	S	*	*			trans	59.2	160.7	158.1	-61	169.6	-168.1	-175.3	5.8	116.4
726	R	40.4	Very low	37.4	Very low	219 Å²	219	150.5 Å²	150.5	83%	0.826	77%	0.766	S	S	*	*			cis	-170.6	166.2	-23.9	-102.2	-161.3	140.7	-172.6	-5.4	104.6
727	T	43.5	Very low	37.3	Very low	99 Å²	99	149.3 Å²	149.3	61%	0.607	77%	0.767	S	S	*	*			cis	-170.1	150.2	1	16.4	0	0	0	0	105.5
728	D	39.3	Very low	37.4	Very low	145 Å²	145	151.2 Å²	151.2	78%	0.775	77%	0.772	S	S	*	*			cis	-159.9	-130.1	-7	-149.3	-90.9	0	0	0	111.4
729	A	39.4	Very low	37	Very low	84 Å²	84	156 Å²	156	69%	0.694	78%	0.782	S	S	*	*			trans	-69.1	168.4	-175.1	0	0	0	0	0	116.9
730	S	39.7	Very low	36.8	Very low	116 Å²	116	152.4 Å²	152.4	81%	0.811	78%	0.778	S	S	*	*			cis	-151.4	172.5	16.7	-157.6	0	0	0	0	116.3
731	M	37.1	Very low	36.5	Very low	166 Å²	166	157.9 Å²	157.9	82%	0.818	78%	0.784	S	S	*	*			trans	-57.4	151.6	179.6	-61.7	-71.6	-178.8	0	0	113.3
732	R	36	Very low	35.9	Very low	222 Å²	222	158.4 Å²	158.4	84%	0.838	79%	0.786	S	S	*	*			cis	76.2	101.8	35.1	-83.1	-166.2	172.3	-169.5	0.6	118.1
733	K	34	Very low	35.8	Very low	203 Å²	203	156.8 Å²	156.8	88%	0.883	79%	0.786	S	S	*	*			trans	75.5	163.7	139.4	-82.7	-169.6	172	-173.1	0	121.2
734	A	34.7	Very low	35.6	Very low	92 Å²	92	155.9 Å²	155.9	76%	0.76	79%	0.785	S	S	*	*			trans	72.4	126.2	-177.7	0	0	0	0	0	115.7
735	S	33.4	Very low	35.6	Very low	117 Å²	117	153.4 Å²	153.4	82%	0.818	79%	0.79	S	S	*	*			cis	98.2	92.8	13.8	84.8	0	0	0	0	116.9
736	E	32.2	Very low	35.5	Very low	163 Å²	163	150.8 Å²	150.8	76%	0.762	79%	0.787	S	S	*	*			trans	-156.8	138.9	157.9	-169.6	153.4	-156.9	0	0	112.1
737	P	34.1	Very low	35.3	Very low	119 Å²	119	150.2 Å²	150.2	77%	0.773	79%	0.785	S	S	*	*			trans	-114.3	123	171.8	35.7	-24.4	0	0	0	112.7
738	Q	37.3	Very low	35	Very low	174 Å²	174	156.6 Å²	156.6	81%	0.813	80%	0.798	S	S	*	*			trans	-152.3	160	171.8	-115.1	172.9	82.7	0	0	114.6
739	R	27	Very low	34.8	Very low	224 Å²	224	156.7 Å²	156.7	85%	0.845	80%	0.798	S	S	*	*			trans	-87	153	178.1	-61.9	168	167.3	179.4	-5.6	110.7
740	L	31.7	Very low	34.8	Very low	143 Å²	143	157.4 Å²	157.4	75%	0.749	80%	0.804	S	S	*	*				164.9	140.3	114.1	-86.7	160.3	0	0	0	115.4
741	R	31.8	Very low	34.6	Very low	213 Å²	213	158.5 Å²	158.5	80%	0.804	80%	0.801	S	S	*	*			trans	49.7	114.7	143.9	-71.2	177	-178.3	169.8	0.7	123.6
742	C	27.7	Very low	34.7	Very low	113 Å²	113	156.3 Å²	156.3	76%	0.764	80%	0.802	S	S	*	*				52.6	115.4	113.9	-51.3	0	0	0	0	122.8
743	F	36.6	Very low	34.7	Very low	211 Å²	211	153.9 Å²	153.9	93%	0.925	80%	0.804	S	S	*	*			trans	-159.8	151.3	133.2	-89.1	-85.2	0	0	0	106.1
744	S	35.5	Very low	35.1	Very low	107 Å²	107	148.4 Å²	148.4	75%	0.748	80%	0.797	S	S	*	*			cis	170.9	134.4	-32.5	56.3	0	0	0	0	106.3
745	G	37.3	Very low	35.3	Very low	72 Å²	72	151.3 Å²	151.3	74%	0.742	80%	0.8	S	S	*	*			trans	158.3	106.4	175	0	0	0	0	0	111
746	Q	37.7	Very low	36	Very low	164 Å²	164	150.2 Å²	150.2	77%	0.766	79%	0.79	S	S	*	*			cis	70.9	121.1	49.5	-159	-178.6	65.3	0	0	110.6
747	R	35.1	Very low	36.1	Very low	208 Å²	208	151.2 Å²	151.2	79%	0.785	79%	0.792	S	S	*	*			cis	-145	178.5	15.4	-118.4	153.7	-173	148.2	-5.8	107.8
748	R	37.8	Very low	36.3	Very low	232 Å²	232	152.9 Å²	152.9	88%	0.875	79%	0.794	S	S	*	*			cis	-145.6	176.5	13	-106.4	-171.4	-178.2	138.3	-4.8	108.6
749	N	33.9	Very low	36.2	Very low	148 Å²	148	149.6 Å²	149.6	79%	0.791	79%	0.791	S	S	*	*			trans	-105.7	156.2	164.6	-67.5	-6.6	0	0	0	112.5
750	A	39.7	Very low	36.9	Very low	98 Å²	98	144 Å²	144	81%	0.81	78%	0.783	S	S	*	*			trans	-172.5	128.9	133.1	0	0	0	0	0	107.7
751	N	35.8	Very low	37	Very low	139 Å²	139	142.7 Å²	142.7	74%	0.743	79%	0.786	S	S	*	*			cis	105	142.8	29.8	-83.6	23.4	0	0	0	112.5
752	S	39.1	Very low	37	Very low	121 Å²	121	137.5 Å²	137.5	85%	0.846	78%	0.782	S	S	*	*			trans	72.9	148.4	172	70.9	0	0	0	0	117.6
753	L	36.8	Very low	37.3	Very low	170 Å²	170	136.9 Å²	136.9	89%	0.89	78%	0.779	S	S	*	*			cis	-170.4	165.6	-22.5	-177.1	57.2	0	0	0	109.1
754	A	41.8	Very low	37.3	Very low	88 Å²	88	131.5 Å²	131.5	73%	0.727	77%	0.768	S	S	*	*			trans	80.1	91.8	159.5	0	0	0	0	0	120.7
755	D	38.5	Very low	37.4	Very low	154 Å²	154	135.3 Å²	135.3	82%	0.824	77%	0.771	S	S	*	*				-32.7	176.4	126.5	-101.8	-50.2	0	0	0	117
756	P	48.4	Very low	37.4	Very low	94 Å²	94	138.3 Å²	138.3	61%	0.61	77%	0.774	S	S	*	*			cis	-139.7	-174.3	-10.9	35.4	-14.6	0	0	0	115.5
757	K	34.3	Very low	37.3	Very low	184 Å²	184	135.5 Å²	135.5	80%	0.8	77%	0.772	S	S	*	*			trans	54.2	130	146.5	-78.8	173.8	-177.6	-176.1	0	119.3
758	D	38	Very low	37.2	Very low	153 Å²	153	130.8 Å²	130.8	82%	0.818	77%	0.769	S	S	*	*				-167.7	-167.9	59.5	-106	-30.7	0	0	0	112.6
759	S	35.4	Very low	37.3	Very low	106 Å²	106	131.2 Å²	131.2	74%	0.741	77%	0.771	S	S	*	*			trans	-143	177.2	-178.2	74.9	0	0	0	0	111.1
760	P	42.8	Very low	37.7	Very low	106 Å²	106	129.6 Å²	129.6	69%	0.688	77%	0.771	S	S	*	*			cis	-134	-169.9	-10.6	41.3	-24.7	0	0	0	113.9
761	S	32.5	Very low	37.6	Very low	116 Å²	116	130.5 Å²	130.5	81%	0.811	77%	0.77	S	S	*	*			trans	79.6	163.9	150.1	81	0	0	0	0	121.1
762	S	32.6	Very low	38	Very low	103 Å²	103	130 Å²	130	72%	0.72	78%	0.775	S	S	*	*			trans	-70.8	153.4	-172.1	57.4	0	0	0	0	114.1
763	S	34.6	Very low	38.1	Very low	100 Å²	100	127.5 Å²	127.5	70%	0.699	77%	0.769	S	S	*	*				177.4	152.1	60.2	51.2	0	0	0	0	115.5
764	S	36.1	Very low	38.4	Very low	98 Å²	98	126.4 Å²	126.4	69%	0.685	77%	0.769	S	S	*	*			trans	74.9	149.3	147.5	84.5	0	0	0	0	122.3
765	K	38.3	Very low	38.2	Very low	187 Å²	187	129 Å²	129	81%	0.813	77%	0.769	S	S	*	*			trans	70.8	105.5	161	-67.6	167	-176.3	173.4	0	116.9
766	V	36.8	Very low	38.1	Very low	135 Å²	135	130.5 Å²	130.5	82%	0.818	77%	0.769	S	S	*	*				78.3	119.2	86.6	164.3	0	0	0	0	110.7
767	C	35	Very low	37.6	Very low	105 Å²	105	130.9 Å²	130.9	71%	0.709	77%	0.774	S	S	*	*				-164.2	160.7	60.2	-155.6	0	0	0	0	113.9
768	C	33.4	Very low	37.8	Very low	109 Å²	109	127.3 Å²	127.3	74%	0.736	77%	0.772	S	S	*	*			trans	26.8	137.3	150.7	-72.8	0	0	0	0	121.2
769	R	40.2	Very low	37.9	Very low	241 Å²	241	126.3 Å²	126.3	91%	0.909	77%	0.771	S	S	*	*			cis	-171.6	165.4	48.2	-136.5	167.8	-161.6	-154.8	4.7	113.7
770	S	41	Very low	38.1	Very low	114 Å²	114	126.4 Å²	126.4	80%	0.797	77%	0.769	S	S	*	*			trans	93	138.7	162.4	-140.1	0	0	0	0	119.3
771	C	37.6	Very low	37.7	Very low	117 Å²	117	132.7 Å²	132.7	79%	0.791	78%	0.779	S	S	*	*			trans	-142.9	-158.2	-168.5	-52.1	0	0	0	0	107.9
772	P	45.3	Very low	38	Very low	128 Å²	128	133.3 Å²	133.3	83%	0.831	78%	0.779	S	S	*	*			cis	-138.9	179.3	-10.5	41.3	-22.8	0	0	0	116.7
773	G	40.2	Very low	38.4	Very low	70 Å²	70	134 Å²	134	72%	0.722	78%	0.78	S	S	*	*			trans	124.9	137.1	158.6	0	0	0	0	0	115
774	V	43.2	Very low	38.8	Very low	147 Å²	147	134.4 Å²	134.4	89%	0.891	78%	0.781	S	S	*	*			cis	-144.3	162.8	-1.2	176	0	0	0	0	109.8
775	L	38.2	Very low	38.8	Very low	141 Å²	141	138.4 Å²	138.4	74%	0.738	79%	0.786	S	S	*	*			trans	-66.9	169.6	-177.1	-66.3	157.5	0	0	0	113.9
776	F	36.8	Very low	38.8	Very low	187 Å²	187	136 Å²	136	82%	0.82	78%	0.782	S	S	*	*			cis	-132	150.6	26.3	-79.2	-114.7	0	0	0	110.9
777	S	37.4	Very low	38.7	Very low	102 Å²	102	137.7 Å²	137.7	71%	0.713	78%	0.781	S	S	*	*				70.7	129.3	56.4	-150	0	0	0	0	113.4
778	S	39.7	Very low	38.8	Very low	108 Å²	108	139.2 Å²	139.2	76%	0.755	78%	0.781	S	S	*	*			cis	-147.8	169.6	13.5	59	0	0	0	0	114.4
779	V	40.1	Very low	38.8	Very low	133 Å²	133	138.8 Å²	138.8	81%	0.806	78%	0.778	S	S	*	*			trans	-142.5	153.6	173.4	-165.1	0	0	0	0	107.5
780	P	38.2	Very low	38.5	Very low	108 Å²	108	135 Å²	135	70%	0.701	77%	0.769	S	S	*	*				-153.6	129.4	119.5	33.6	-13.6	0	0	0	118.5
781	R	35	Very low	38.1	Very low	237 Å²	237	139.6 Å²	139.6	89%	0.894	77%	0.769	S	S	*	*				75.1	136.8	125.5	-61.4	175	-175	-179.1	1	123
782	T	38.3	Very low	38.2	Very low	130 Å²	130	139.7 Å²	139.7	80%	0.798	76%	0.76	S	S	*	*			trans	-82.3	-170.7	158.9	60.2	0	0	0	0	109.4
783	P	40.3	Very low	37.8	Very low	117 Å²	117	140.7 Å²	140.7	76%	0.76	75%	0.754	S	S	*	*			cis	-149.9	-143	45.2	49.6	-24.2	0	0	0	113.7
784	P	43.6	Very low	37.9	Very low	108 Å²	108	145.5 Å²	145.5	70%	0.701	76%	0.757	S	S	*	*			trans	-135.7	-171.3	-130.2	34.6	-8.1	0	0	0	117
785	K	36.8	Very low	37.8	Very low	182 Å²	182	144.4 Å²	144.4	79%	0.791	75%	0.753	S	S	*	*			trans	125.7	121.9	146.3	-71.1	-176.5	176.3	-177.4	0	117.5
786	N	38.6	Very low	37.8	Very low	138 Å²	138	141.7 Å²	141.7	74%	0.738	75%	0.751	S	S	*	*				53.4	111.2	127	-59	38.1	0	0	0	122.2
787	E	34.4	Very low	37.8	Very low	169 Å²	169	142.2 Å²	142.2	79%	0.79	76%	0.758	S	S	*	*				81.5	158.4	121.7	-126.3	172.9	-169.4	0	0	122.4
788	I	35.8	Very low	37.8	Very low	138 Å²	138	149 Å²	149	71%	0.708	77%	0.768	S	S	*	*			trans	74.9	76.8	162.4	-55.5	161.6	0	0	0	118.4
789	S	33.2	Very low	37.7	Very low	99 Å²	99	148.8 Å²	148.8	69%	0.692	77%	0.773	S	S	*	*				86.2	145.1	122.5	82	0	0	0	0	124.2
790	K	34.3	Very low	37.8	Very low	162 Å²	162	148.5 Å²	148.5	70%	0.704	77%	0.774	S	S	*	*			trans	83.5	122.4	137.3	-103.1	179.3	173	-179.7	0	122
791	W	34	Very low	37.6	Very low	210 Å²	210	151.4 Å²	151.4	80%	0.795	78%	0.783	S	S	*	*			trans	67.7	160.2	156	-50.6	125.7	0	0	0	115.8
792	I	38.1	Very low	37.8	Very low	120 Å²	120	149.9 Å²	149.9	62%	0.615	78%	0.783	S	S	*	*			cis	-152.4	161.1	-0.6	-138	162.1	0	0	0	110.9
793	E	37	Very low	37.7	Very low	149 Å²	149	153.6 Å²	153.6	70%	0.696	79%	0.788	S	S	*	*			trans	56.5	114.4	157	-76.2	162	-137.2	0	0	120.1
794	H	42.3	Very low	37.7	Very low	170 Å²	170	151.5 Å²	151.5	79%	0.787	79%	0.787	S	S	*	*				105.6	167.1	71.5	-98.8	-13	0	0	0	111.7
795	P	41.8	Very low	37.5	Very low	125 Å²	125	156.3 Å²	156.3	81%	0.812	79%	0.792	S	S	*	*			cis	-118.6	162.3	8.6	40.6	-28.4	0	0	0	115.9
796	A	37.9	Very low	37.6	Very low	83 Å²	83	154 Å²	154	69%	0.686	79%	0.789	S	S	*	*			trans	-111.7	134.3	161.2	0	0	0	0	0	109.2	R798	A796-R798 PolarHBondContact O-N 3.14Å
797	M	36.7	Very low	37.6	Very low	199 Å²	199	157.8 Å²	157.8	98%	0.98	79%	0.793	S	S	*	*			trans	-73.2	127.1	174.2	-71.7	-163.3	-173	0	0	111.1
798	R	37.3	Very low	37.8	Very low	244 Å²	244	156.6 Å²	156.6	92%	0.921	79%	0.787	S	S	*	*			trans	-113.3	132.1	159.9	-80.9	-177.2	170.3	177.9	-2.3	108.9	A796	A796-R798 PolarHBondContact O-N 3.14Å
799	A	37.5	Very low	38.5	Very low	104 Å²	104	156.1 Å²	156.1	86%	0.86	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-96.2	140.1	171.1	0	0	0	0	0	111.1
800	P	43.1	Very low	39.1	Very low	126 Å²	126	156.8 Å²	156.8	82%	0.818	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-102.2	155.9	163	35.8	-29.3	0	0	0	112.4
801	L	34	Very low	39.4	Very low	170 Å²	170	156 Å²	156	89%	0.89	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-76.9	144.7	-173.2	-65	150.4	0	0	0	114.3
802	K	38.4	Very low	39.7	Very low	205 Å²	205	151 Å²	151	89%	0.891	79%	0.792	S	S	*	*			trans	-171	128	133.8	-107	161.2	-174.3	177.7	0	115.7
803	K	36.4	Very low	40	Very low	208 Å²	208	151 Å²	151	90%	0.904	80%	0.8	S	S	*	*			trans	14.2	133.9	154.5	-64	-175	172.4	-173.1	0	122.1
804	G	39.9	Very low	40	Very low	72 Å²	72	146.8 Å²	146.8	74%	0.742	80%	0.796	S	S	*	*			trans	163.2	82.3	158.2	0	0	0	0	0	111.6
805	Y	39.4	Very low	39.9	Very low	209 Å²	209	148 Å²	148	82%	0.82	80%	0.8	S	S	*	*				76.1	100.4	95.9	-102.5	-78.9	0	0	0	116.5
806	D	39.8	Very low	39.5	Very low	133 Å²	133	149.6 Å²	149.6	71%	0.711	80%	0.8	S	S	*	*			trans	44.4	114.6	142.7	-52.2	-5.9	0	0	0	122.6
807	R	38.8	Very low	39.5	Very low	218 Å²	218	150.5 Å²	150.5	82%	0.823	80%	0.801	S	S	*	*				-167.4	120	102.7	-99.2	-172.7	159.9	136.7	2.8	111.6
808	E	39.2	Very low	39.6	Very low	145 Å²	145	148.8 Å²	148.8	68%	0.678	79%	0.79	S	S	*	*				66.2	90.8	101.9	-65.6	-174.8	128.1	0	0	113.2
809	T	49.2	Very low	39.5	Very low	127 Å²	127	143.2 Å²	143.2	78%	0.779	78%	0.783	S	S	*	*				73.7	163.9	81.9	58.5	0	0	0	0	114
810	P	46	Very low	39.4	Very low	114 Å²	114	148.7 Å²	148.7	74%	0.74	79%	0.788	S	S	*	*			cis	-110.6	-162.3	-8.5	12.8	14	0	0	0	110.5
811	I	41.4	Very low	39.2	Very low	144 Å²	144	146.9 Å²	146.9	74%	0.738	78%	0.784	S	S	*	*			cis	-162.7	141.9	-23.2	-102.1	165.9	0	0	0	103.9
812	S	40.3	Very low	39.6	Very low	106 Å²	106	145.8 Å²	145.8	74%	0.741	78%	0.784	S	S	*	*				72.9	168.2	51.7	-67	0	0	0	0	114.7
813	P	44.1	Very low	39.7	Very low	121 Å²	121	143.5 Å²	143.5	79%	0.786	78%	0.781	S	S	*	*			cis	-116.5	-169.9	-22	19.1	5.9	0	0	0	111
814	G	37.5	Very low	39.9	Very low	60 Å²	60	145.1 Å²	145.1	62%	0.619	78%	0.782	S	S	*	*			cis	156.5	-178.3	-3.5	0	0	0	0	0	112.1
815	F	38.5	Very low	40.2	Very low	196 Å²	196	147 Å²	147	86%	0.86	78%	0.781	S	S	*	*			trans	71.5	113.8	-180	-57.8	-79.7	0	0	0	115.7
816	L	35.1	Very low	40.3	Very low	157 Å²	157	142.9 Å²	142.9	82%	0.822	78%	0.783	S	S	*	*			cis	62.5	124	34.8	-67.7	160.1	0	0	0	113
817	C	36.6	Very low	41.3	Very low	102 Å²	102	142.5 Å²	142.5	69%	0.689	79%	0.787	S	S	*	*				-173.1	-173.7	50.1	-136.2	0	0	0	0	114.3
818	H	39.4	Very low	41.4	Very low	164 Å²	164	137.5 Å²	137.5	76%	0.759	79%	0.786	S	S	*	*			trans	71.3	84.8	160.6	-70.7	-57.3	0	0	0	123.4
819	T	35.4	Very low	42.1	Very low	127 Å²	127	136.5 Å²	136.5	78%	0.779	79%	0.792	S	S	*	*				7.8	122.3	121	57.4	0	0	0	0	120.2
820	K	36	Very low	41.8	Very low	218 Å²	218	142.8 Å²	142.8	95%	0.948	80%	0.802	S	S	*	*			trans	-159	149.1	131.2	-132.1	171.1	-174.5	175.8	0	110.9
821	A	37.8	Very low	41.7	Very low	89 Å²	89	144.8 Å²	144.8	74%	0.736	84%	0.843	S	S	*	*			trans	-115	142.9	178	0	0	0	0	0	111
822	T	42.7	Very low	41.7	Very low	146 Å²	146	144.9 Å²	144.9	90%	0.896	85%	0.848	S	S	*	*			trans	-165.5	153	148.4	17.9	0	0	0	0	112.1
823	N	40.1	Very low	41.8	Very low	157 Å²	157	146.9 Å²	146.9	84%	0.84	85%	0.854	S	S	*	*			trans	-47.9	153.4	179.7	-54.8	-31.9	0	0	0	116
824	R	40.7	Very low	41.6	Very low	242 Å²	242	148.3 Å²	148.3	91%	0.913	86%	0.858	S	S	*	*			trans	-140.3	114.5	157.3	-156.5	179.9	-158.1	-169.4	6.2	110.9
825	P	47.1	Very low	41.9	Very low	113 Å²	113	153.5 Å²	153.5	73%	0.734	87%	0.872	S	S	*	*	P	Polyproline II helix	trans	-83.1	165.1	175.2	34.2	-34.7	0	0	0	112.4
826	S	41.4	Very low	42.1	Very low	122 Å²	122	150.9 Å²	150.9	85%	0.853	87%	0.872	S	S	*	*	P	Polyproline II helix	trans	-73.9	143.9	-179.7	-39.8	0	0	0	0	113.5
827	P	60.7	Low	42.6	Very low	124 Å²	124	150.5 Å²	150.5	81%	0.805	88%	0.876	S	S	*	*	P	Polyproline II helix	trans	-99.3	132.6	158.6	34.3	-27.3	0	0	0	111.4
828	S	40.7	Very low	43	Very low	113 Å²	113	153.9 Å²	153.9	79%	0.79	89%	0.889	S	S	*	*	P	Polyproline II helix	trans	-89.6	154.7	163	51.6	0	0	0	0	110.6
829	P	52.9	Low	43.3	Very low	124 Å²	124	153.2 Å²	153.2	81%	0.805	90%	0.899	S	S	*	*	P	Polyproline II helix	trans	-92.2	146.6	-167.4	34.8	-35.5	0	0	0	114.4
830	R	43.1	Very low	43.9	Very low	260 Å²	260	155.3 Å²	155.3	98%	0.981	91%	0.909	S	S	*	*			trans	-144.6	141.6	145.3	-75.1	-162.6	177.1	-157.4	-1.7	108.9
831	G	44	Very low	44.6	Very low	156 Å²	156	149.6 Å²	149.6	100%	1.608	91%	0.906	S	S	*	*			trans	143.7	0	-166.9	0	0	0	0	0	108

Retrieved 831 of 831 residues in 641.9 ms (Link to these results)

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