A0A3Q0KQ89_SCHMA Loading...

DH domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KQ89, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 871 aa.

						>A0A3Q0KQ89_SCHMA|A0A3Q0KQ89
MADIEQELHLTVKPSTPTSGKRKSSSRLSLFHSTARKSRASAGDLNLPTPNGAVTSLADGSSSDLHDTPLRAKLEKRQHRIFEFFVTERNYVEILRYLCLNAYPQVIDENQPGGPVLPRQEADFVFGKLGAIYELHDRLQPQFNELENNWSLSESCLGNVLQLSLLTEMDRAYGNYMQFYSPPHLHHLGEQFPRFHAFMRQVEKRKESGRQSLPALLVRPVQRLPSISLLMDGIAKFTPQSHPDYNAVKEFAKGINELLAKINDRLRKNEERLSLLSLYHEISGAPPEMLSSSRSLVAKLNVFELGVSASGNTTCEPVTLFLLSDSLEVARPRKRFTGEPLAHAIRAALAAVQGEGSEHNFDGNHDQTSINGGGSSSNPSTNTALSGVSVSRTGSGASGTSVVNLGLMEGKQRCCYKHLQLLKLQEIKQVVNFDTASPDRAAFGLVVRSSSEVDDRVHAYCLAASFAASAAVVSGKCPEPVESAVAAATASGQISNAVSIDTSPSHITANSNNSHVAMLQACVGEAKRVFLHRLCHHICLVSCIAKNPEEILVDVEPEELLGFDLEQVFNATALALSSKRITRQLTRNISIKTPRRLPASAKRQFGAQPPQPPSTPTSHRLHVPIEMDESQTTDMYLIPSPRRSMLGSFLGSSCTSLSNFLNTALRTNNNLNNINHGNSALNRAMLPPSRLAMTPKPIRRLLPRSSRQNSFDDLDLNDDEDDVPFSQLGSSLLSLTSLDSLSTLDNPVNRVDVISNRNTPNLKCRAGSAVWESASHLGFSTSDDVRHSFRSPSGSFLGGFDEGCSRKHGKKQKKPKLRAVSQMFQRSSIMVKAKESRKIGSDKINTELNSQSSLPSSRRDSLFRGLFFRKN
					

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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	31.3	Very low	33.3	Very low	232 Å²	232	160.6 Å²	160.6	100%	1.143	83%	0.832	S	S	*	*				0	52.7	0	-38	-49.5	-83.1	0	0	107.2
2	A	29.7	Very low	33.3	Very low	86 Å²	86	158.4 Å²	158.4	71%	0.711	83%	0.83	S	S	*	*				73.2	100.8	61.9	0	0	0	0	0	110.7
3	D	35.4	Very low	33.2	Very low	156 Å²	156	160.8 Å²	160.8	83%	0.834	83%	0.829	S	S	*	*				-164.4	169.2	116.3	-87.4	-22.2	0	0	0	109.6
4	I	42.7	Very low	32.7	Very low	168 Å²	168	158.5 Å²	158.5	86%	0.862	83%	0.83	S	S	*	*			trans	73.2	79.4	173.1	-47.1	164.8	0	0	0	115.5
5	E	32.2	Very low	32.7	Very low	180 Å²	180	155.9 Å²	155.9	84%	0.841	83%	0.83	S	S	*	*			trans	-85.3	144	132.8	-62	179.5	135.1	0	0	108.2
6	Q	32.7	Very low	32.4	Very low	176 Å²	176	154.6 Å²	154.6	82%	0.822	83%	0.83	S	S	*	*				171.4	163.7	126.9	-95.5	176.8	14.5	0	0	113
7	E	36	Very low	32.7	Very low	166 Å²	166	152.5 Å²	152.5	78%	0.776	83%	0.827	S	S	*	*			trans	68	136.6	174	-54.4	-144.1	127.2	0	0	117.4
8	L	35.7	Very low	32.8	Very low	142 Å²	142	152 Å²	152	74%	0.743	83%	0.83	S	S	*	*			cis	-150.2	150.7	-10.9	-119.7	172.4	0	0	0	110.5
9	H	28.7	Very low	32.5	Very low	168 Å²	168	149.7 Å²	149.7	78%	0.778	83%	0.826	S	S	*	*			trans	-75.1	144	174.7	-85.4	42.4	0	0	0	112
10	L	34.8	Very low	32.5	Very low	178 Å²	178	146.1 Å²	146.1	93%	0.932	83%	0.825	S	S	*	*			trans	-148.5	118.3	147.5	-113.3	168.3	0	0	0	111.8
11	T	27.6	Very low	32.3	Very low	115 Å²	115	148.4 Å²	148.4	71%	0.706	83%	0.826	S	S	*	*			trans	-99.4	132.7	-169.9	50.8	0	0	0	0	113.6
12	V	33.2	Very low	32.3	Very low	134 Å²	134	148.9 Å²	148.9	81%	0.812	82%	0.815	S	S	*	*			trans	-136.5	94.9	159.1	-172.1	0	0	0	0	112.8
13	K	31.2	Very low	32.2	Very low	189 Å²	189	154.9 Å²	154.9	82%	0.822	83%	0.825	S	S	*	*			trans	43.6	125.2	144.2	-61.9	176.6	-179.6	173.1	0	121.2
14	P	27.2	Very low	32.1	Very low	129 Å²	129	152.4 Å²	152.4	84%	0.838	82%	0.82	S	S	*	*			trans	-78.7	158.3	161.6	35.4	-34.6	0	0	0	112
15	S	31.6	Very low	31.4	Very low	119 Å²	119	150.4 Å²	150.4	83%	0.832	82%	0.82	S	S	*	*			trans	-140.7	126.1	169.2	62.5	0	0	0	0	113.7
16	T	28.5	Very low	31.5	Very low	135 Å²	135	146.9 Å²	146.9	83%	0.828	82%	0.816	S	S	*	*			trans	-150.2	158.2	176.1	55.6	0	0	0	0	108.5
17	P	37.8	Very low	31.2	Very low	120 Å²	120	149.5 Å²	149.5	78%	0.779	82%	0.818	S	S	*	*			cis	-128.9	172.6	-27.3	38.2	-24.2	0	0	0	112
18	T	33.7	Very low	31	Very low	143 Å²	143	150.2 Å²	150.2	88%	0.877	83%	0.826	S	S	*	*			trans	-127.6	130.2	165.7	52.9	0	0	0	0	112	G20	T18-G20 PolarHBondContact O-N 2.89Å; T18-G20 VanDerWaalsContact O-N 3.17Å
19	S	27.9	Very low	30.6	Very low	109 Å²	109	148.1 Å²	148.1	76%	0.762	82%	0.824	S	S	*	*			trans	-81.1	93.1	-169.4	158.5	0	0	0	0	113.3
20	G	31.8	Very low	30.7	Very low	77 Å²	77	147.4 Å²	147.4	79%	0.794	83%	0.825	S	S	*	*			trans	-92.6	82.9	171.9	0	0	0	0	0	114.4	T18 R22	T18-G20 PolarHBondContact O-N 2.89Å; T18-G20 VanDerWaalsContact O-N 3.17Å; G20-R22 PolarHBondContact O-N 3.38Å
21	K	28.6	Very low	30.6	Very low	195 Å²	195	148.4 Å²	148.4	85%	0.848	82%	0.822	S	S	*	*			trans	-69.6	94.3	176.6	-74.1	178.3	-180	170	0	112.4
22	R	32.1	Very low	30.6	Very low	242 Å²	242	152 Å²	152	91%	0.913	83%	0.83	S	S	*	*			trans	-131.7	111.1	160.4	-84.1	-168.5	163.2	-173.2	-5.4	112.5	G20	G20-R22 PolarHBondContact O-N 3.38Å
23	K	27.2	Very low	30.6	Very low	212 Å²	212	151 Å²	151	92%	0.922	83%	0.83	S	S	*	*			trans	-75.5	129.2	164.8	-62.3	176.7	179	180	0	108.5
24	S	33.3	Very low	30.6	Very low	104 Å²	104	148.2 Å²	148.2	73%	0.727	83%	0.828	S	S	*	*			trans	-146.6	95.5	162.9	-170.6	0	0	0	0	109.7	S26	S24-S26 PolarHBondContact O-N 3.11Å
25	S	27.2	Very low	31	Very low	125 Å²	125	147.1 Å²	147.1	87%	0.874	83%	0.83	S	S	*	*			trans	-84.5	103.2	176	-59.8	0	0	0	0	110
26	S	34.5	Very low	31.1	Very low	106 Å²	106	153.3 Å²	153.3	74%	0.741	84%	0.835	S	S	*	*			trans	-104.6	70.1	177.9	-59.7	0	0	0	0	111.4	S24 L28	S24-S26 PolarHBondContact O-N 3.11Å; S26-L28 PolarHBondContact O-N 3.32Å
27	R	27.5	Very low	31.2	Very low	232 Å²	232	157 Å²	157	88%	0.875	84%	0.839	S	S	*	*			trans	-69.3	125.6	164.6	-79.6	178.8	168.9	156.1	-5.2	108.8
28	L	31.1	Very low	31.2	Very low	180 Å²	180	157 Å²	157	94%	0.942	84%	0.843	S	S	*	*			trans	-111.6	111.7	158.9	-74.4	176.9	0	0	0	108.7	S26	S26-L28 PolarHBondContact O-N 3.32Å
29	S	26.6	Very low	31	Very low	99 Å²	99	161.9 Å²	161.9	69%	0.692	85%	0.845	S	S	*	*			trans	-128.9	115.7	-178.6	56.6	0	0	0	0	109.4
30	L	31.4	Very low	31.4	Very low	153 Å²	153	161.8 Å²	161.8	80%	0.801	85%	0.85	S	S	*	*			trans	-135.8	100.8	167.4	-72.6	176.7	0	0	0	108.4
31	F	32.3	Very low	31.6	Very low	199 Å²	199	163.6 Å²	163.6	87%	0.873	85%	0.851	S	S	*	*				-175.8	135.5	104.8	-84.7	-62.5	0	0	0	109.2
32	H	28.4	Very low	31.8	Very low	189 Å²	189	159 Å²	159	88%	0.875	85%	0.85	S	S	*	*			trans	-142.6	139.7	-174.5	-105.6	10.2	0	0	0	109.2
33	S	33	Very low	32	Very low	115 Å²	115	151.1 Å²	151.1	80%	0.804	84%	0.844	S	S	*	*			trans	-148.9	78	160.7	-88.3	0	0	0	0	112.1
34	T	31.6	Very low	32.3	Very low	130 Å²	130	148.3 Å²	148.3	80%	0.798	84%	0.839	S	S	*	*			trans	37.2	115.1	132.2	58.8	0	0	0	0	120.4
35	A	35	Very low	32.7	Very low	105 Å²	105	151.9 Å²	151.9	87%	0.868	85%	0.849	S	S	*	*			trans	-131	145.4	137.3	0	0	0	0	0	108.8
36	R	34.1	Very low	33.1	Very low	249 Å²	249	152.2 Å²	152.2	94%	0.94	84%	0.841	S	S	*	*			trans	-97.1	147.5	-170.1	-70.9	179.9	176.8	166.3	-1.5	112.6
37	K	30	Very low	33.1	Very low	212 Å²	212	154.5 Å²	154.5	92%	0.922	84%	0.844	S	S	*	*			trans	-102	120.1	174.5	-166.4	168.9	-170.6	165.4	0	109.3
38	S	38.3	Very low	33.7	Very low	121 Å²	121	148.9 Å²	148.9	85%	0.846	84%	0.837	S	S	*	*			trans	-113.8	149.9	166.1	53	0	0	0	0	109.5
39	R	29.8	Very low	33.9	Very low	246 Å²	246	146.1 Å²	146.1	93%	0.928	83%	0.828	S	S	*	*			trans	-140.2	118.3	-176.1	-168.6	-177.1	-166.7	178.1	4.1	107.8
40	A	36.7	Very low	34.6	Very low	106 Å²	106	147.2 Å²	147.2	88%	0.876	83%	0.833	S	S	*	*			trans	-119.2	165.4	171.1	0	0	0	0	0	108.9
41	S	34.9	Very low	34.9	Very low	115 Å²	115	147.9 Å²	147.9	80%	0.804	84%	0.837	S	S	*	*			trans	-128.6	150.9	-158	-168	0	0	0	0	113.6
42	A	32.5	Very low	35.3	Very low	99 Å²	99	142.1 Å²	142.1	82%	0.818	83%	0.834	S	S	*	*			trans	35.5	129.1	152.6	0	0	0	0	0	120.6
43	G	36.7	Very low	35.8	Very low	77 Å²	77	137.6 Å²	137.6	79%	0.794	83%	0.829	S	S	*	*			trans	-171.7	98.1	164	0	0	0	0	0	110.2
44	D	32.6	Very low	36.1	Very low	153 Å²	153	138.2 Å²	138.2	82%	0.818	83%	0.828	S	S	*	*			trans	-68.2	154.6	173.3	-59.7	-75.2	0	0	0	111.8
45	L	42.8	Very low	36.4	Very low	178 Å²	178	137.9 Å²	137.9	93%	0.932	83%	0.826	S	S	*	*			trans	-163.1	156.2	144.7	-106.8	168.6	0	0	0	110.3
46	N	35.3	Very low	36.6	Very low	132 Å²	132	138.2 Å²	138.2	71%	0.706	82%	0.822	S	S	*	*			trans	-125.3	146.4	-159.6	-92.2	-61.5	0	0	0	114.6
47	L	35.4	Very low	36.8	Very low	154 Å²	154	133.9 Å²	133.9	81%	0.806	82%	0.816	S	S	*	*			trans	62.3	173.7	150.7	-98.7	59.9	0	0	0	118
48	P	38.8	Very low	37.2	Very low	114 Å²	114	128.4 Å²	128.4	74%	0.74	81%	0.811	S	S	*	*			cis	-127.7	166.6	-7.3	32.5	-13.5	0	0	0	116.7
49	T	36.1	Very low	37.2	Very low	123 Å²	123	130.6 Å²	130.6	76%	0.755	81%	0.813	S	S	*	*			trans	-78	166.3	166.9	-13.9	0	0	0	0	112.9
50	P	41.6	Very low	37.6	Very low	121 Å²	121	121.3 Å²	121.3	79%	0.786	79%	0.794	S	S	*	*			trans	-132.1	164	133	37.4	-27.9	0	0	0	114.7
51	N	37.2	Very low	37.7	Very low	167 Å²	167	122 Å²	122	89%	0.893	79%	0.793	S	S	*	*			trans	-86.6	160.8	-164.7	-56	-40.4	0	0	0	115.6
52	G	39.9	Very low	37.8	Very low	78 Å²	78	121.9 Å²	121.9	80%	0.804	79%	0.792	S	S	*	*			trans	-152.2	132.4	158.3	0	0	0	0	0	111.1
53	A	38.6	Very low	38.4	Very low	94 Å²	94	122.1 Å²	122.1	78%	0.777	79%	0.787	S	S	*	*			trans	-85	175.4	178.3	0	0	0	0	0	110.7
54	V	40.4	Very low	38.8	Very low	128 Å²	128	123 Å²	123	78%	0.776	77%	0.774	S	S	*	*			cis	-158.4	140.2	41.7	-129.7	0	0	0	0	114.2
55	T	38.4	Very low	39.3	Very low	124 Å²	124	123.4 Å²	123.4	76%	0.761	78%	0.775	S	S	*	*			trans	35	137.4	145.1	50.7	0	0	0	0	124.8
56	S	38.3	Very low	39.6	Very low	111 Å²	111	123.4 Å²	123.4	78%	0.776	77%	0.77	S	S	*	*			trans	112.8	131.6	137.1	-163.2	0	0	0	0	115.7
57	L	39.3	Very low	40.7	Very low	158 Å²	158	120.9 Å²	120.9	83%	0.827	76%	0.756	S	S	*	*			cis	161.8	155.1	-26.1	-104.1	169.1	0	0	0	105.8
58	A	38.5	Very low	42.6	Very low	97 Å²	97	118.1 Å²	118.1	80%	0.802	75%	0.746	S	S	*	*			trans	71.3	149.9	171.5	0	0	0	0	0	118.6
59	D	37.7	Very low	44.9	Very low	167 Å²	167	117.1 Å²	117.1	89%	0.893	74%	0.74	S	S	*	*			cis	-166	165.4	-33.3	-158.3	-1.2	0	0	0	110
60	G	37.6	Very low	47.4	Very low	52 Å²	52	115.2 Å²	115.2	54%	0.536	73%	0.725	S	S	.	*			trans	96	111.1	145.2	0	0	0	0	0	120.9
61	S	40	Very low	49.7	Very low	120 Å²	120	115.4 Å²	115.4	84%	0.839	71%	0.71	S	S	*	*			trans	64.6	158.3	148.6	68	0	0	0	0	121.2
62	S	36	Very low	52.3	Low	112 Å²	112	109.3 Å²	109.3	78%	0.783	68%	0.682	S	S	*	*				172.3	101.2	-57	51.5	0	0	0	0	110.1
63	S	44.9	Very low	54.8	Low	104 Å²	104	108.8 Å²	108.8	73%	0.727	66%	0.658	S	S	*	*			trans	-146.5	-31.3	-173.8	35.2	0	0	0	0	117.4	L65	S63-L65 PolarHBondContact O-N 3.09Å; S63-L65 VanDerWaalsContact O-N 3.13Å
64	D	46	Very low	57.5	Low	96 Å²	96	105.6 Å²	105.6	51%	0.513	63%	0.628	S	S	.	*	G	3₁₀ helix	trans	-88.6	17.8	-146.9	-59.9	19.7	0	0	0	117.5	H66 D67	D64-H66 VanDerWaalsContact C-N 3.29Å; D64-H66 PolarHBondContact O-N 3.5Å; D64-D67 PolarHBondContact O-N 2.9Å
65	L	42.4	Very low	60	Low	162 Å²	162	103.3 Å²	103.3	85%	0.848	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-72.8	-15.1	-172.2	-77.6	174.6	0	0	0	115	S63	S63-L65 PolarHBondContact O-N 3.09Å; S63-L65 VanDerWaalsContact O-N 3.13Å
66	H	48.8	Very low	62.7	Low	177 Å²	177	102.9 Å²	102.9	82%	0.819	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-85.8	-17.7	176.7	-103.7	-76.8	0	0	0	114.2	D64	D64-H66 VanDerWaalsContact C-N 3.29Å; D64-H66 PolarHBondContact O-N 3.5Å
67	D	59.3	Low	65.5	Low	79 Å²	79	97.7 Å²	97.7	42%	0.422	56%	0.559	S	S	.	*			trans	-88.5	-13.5	-166.2	-68	-70.9	0	0	0	115.2	D64 P69 L70 R71	D64-D67 PolarHBondContact O-N 2.9Å; D67-P69 VanDerWaalsContact O-N 3.16Å; D67-L70 PolarHBondContact O-N 3.12Å; D67-R71 WeakPolarHBondContact O-CB 3.45Å; D67-R71 PolarHBondContact O-N 3.46Å
68	T	75.7	Confident	68.2	Low	97 Å²	97	92.5 Å²	92.5	60%	0.595	53%	0.531	S	S	*	.	H	α-helix	trans	-48	-45	-171.8	51.7	0	0	0	0	116	A72	T68-A72 VanDerWaalsContact O-CB 3.3Å; T68-A72 WeakPolarHBondContact O-CB 3.45Å; T68-A72 PolarHBondContact O-N 3.08Å; T68-A72 VanDerWaalsContact O-N 3.15Å
69	P	86.5	Confident	71	Confident	92 Å²	92	94 Å²	94	60%	0.597	52%	0.521	S	S	*	.	H	α-helix	trans	-76.1	-30.3	177.7	31.2	-36.2	0	0	0	113.7	D67 K73	D67-P69 VanDerWaalsContact O-N 3.16Å; P69-K73 PolarHBondContact O-N 3.08Å
70	L	88.3	Confident	73.7	Confident	84 Å²	84	89.3 Å²	89.3	44%	0.44	49%	0.491	S	S	.	.	H	α-helix	trans	-74.6	-45.5	178.1	-72.1	175.5	0	0	0	110.6	D67 A72 K73 L74	D67-L70 PolarHBondContact O-N 3.12Å; L70-A72 PolarHBondContact O-N 3.33Å; L70-K73 CarbonylContact O-C 3.52Å; L70-K73 WeakPolarHBondContact O-CA 3.34Å; L70-K73 VanDerWaalsContact O-CB 3.22Å; L70-K73 WeakPolarHBondContact O-CB 3.36Å; L70-K73 PolarHBondContact O-N 3.24Å; L70-L74 WeakPolarHBondContact O-CG 3.46Å; L70-L74 PolarHBondContact O-N 2.89Å
71	R	90	Very high	76.6	Confident	125 Å²	125	86.9 Å²	86.9	47%	0.472	47%	0.466	S	S	.	.	H	α-helix	trans	-56.7	-49.3	173.8	-176	175.3	-178.2	135.3	5.2	111.6	D67 K73 L74 E75	D67-R71 WeakPolarHBondContact O-CB 3.45Å; D67-R71 PolarHBondContact O-N 3.46Å; R71-K73 PolarHBondContact O-N 2.91Å; R71-K73 VanDerWaalsContact O-N 3.12Å; R71-L74 PolarHBondContact O-N 3.13Å; R71-E75 HydrophobicContact CG-CG 4.4Å; R71-E75 VanDerWaalsContact CG-OE1 3.29Å; R71-E75 WeakPolarHBondContact CG-OE1 3.33Å; R71-E75 IonicContact CZ-OE1 2.91Å; R71-E75 IonicContact NE-OE1 3.18Å; R71-E75 PolarHBondContact NE-OE1 2.94Å; R71-E75 WeakPolarHBondContact O-CG 3.46Å; R71-E75 PolarHBondContact O-N 2.81Å
72	A	92.1	Very high	79.3	Confident	39 Å²	39	83.7 Å²	83.7	32%	0.322	44%	0.437	S	S	.	.	H	α-helix	trans	-65.3	-14	175.1	0	0	0	0	0	114.3	T68 L70 K76	T68-A72 VanDerWaalsContact O-CB 3.3Å; T68-A72 WeakPolarHBondContact O-CB 3.45Å; T68-A72 PolarHBondContact O-N 3.08Å; T68-A72 VanDerWaalsContact O-N 3.15Å; L70-A72 PolarHBondContact O-N 3.33Å; A72-K76 WeakPolarHBondContact O-CD 3.48Å; A72-K76 WeakPolarHBondContact O-CG 3.44Å
73	K	92.5	Very high	82.2	Confident	66 Å²	66	80.8 Å²	80.8	29%	0.287	41%	0.411	S	S	.	.	H	α-helix	trans	-83.8	-43.6	168.7	-153.3	-159.4	-177.3	-150.6	0	111	P69 L70 R71 K76 R77 K236 F237 T238	P69-K73 PolarHBondContact O-N 3.08Å; L70-K73 CarbonylContact O-C 3.52Å; L70-K73 WeakPolarHBondContact O-CA 3.34Å; L70-K73 VanDerWaalsContact O-CB 3.22Å; L70-K73 WeakPolarHBondContact O-CB 3.36Å; L70-K73 PolarHBondContact O-N 3.24Å; R71-K73 PolarHBondContact O-N 2.91Å; R71-K73 VanDerWaalsContact O-N 3.12Å; K73-K76 WeakPolarHBondContact O-CB 3.4Å; K73-K76 PolarHBondContact O-N 3.06Å; K73-R77 PolarHBondContact O-N 3.44Å; K73-K236 WeakPolarHBondContact CE-O 3.45Å; K73-K236 PolarHBondContact NZ-O 3.48Å; K73-F237 WeakPolarHBondContact CD-O 2.95Å; K73-F237 VanDerWaalsContact CE-O 3.28Å; K73-F237 WeakPolarHBondContact CE-O 3.48Å; K73-F237 HydrophobicContact CG-CD1 4.25Å; K73-F237 VanDerWaalsContact CG-O 3.28Å; K73-F237 WeakPolarHBondContact CG-O 3.23Å; K73-F237 PolarHBondContact NZ-O 2.89Å; K73-T238 PolarHBondContact NZ-O 3.01Å
74	L	94.1	Very high	84.7	Confident	27 Å²	27	76 Å²	76	14%	0.141	38%	0.377	C	S	.	.	H	α-helix	trans	-68.1	-35.5	178.1	-67	172.2	0	0	0	112.8	L70 R71 K76 R77 Q78 L152 P239	L70-L74 WeakPolarHBondContact O-CG 3.46Å; L70-L74 PolarHBondContact O-N 2.89Å; R71-L74 PolarHBondContact O-N 3.13Å; L74-K76 VanDerWaalsContact C-N 3.27Å; L74-K76 PolarHBondContact O-N 3Å; L74-R77 WeakPolarHBondContact O-CA 3.28Å; L74-R77 VanDerWaalsContact O-CB 3.31Å; L74-R77 WeakPolarHBondContact O-CB 3.39Å; L74-R77 PolarHBondContact O-N 3.45Å; L74-R77 VanDerWaalsContact O-N 3.11Å; L74-Q78 PolarHBondContact O-N 2.73Å; L74-L152 HydrophobicContact CB-CD2 4.1Å; L74-P239 HydrophobicContact CD2-CG 3.92Å
75	E	94.8	Very high	87.2	Confident	81 Å²	81	71.4 Å²	71.4	38%	0.379	35%	0.352	S	S	.	.	H	α-helix	trans	-63.4	-34.6	172.7	-71.2	165	175.4	0	0	111.2	R71 H79 L152	R71-E75 HydrophobicContact CG-CG 4.4Å; R71-E75 VanDerWaalsContact CG-OE1 3.29Å; R71-E75 WeakPolarHBondContact CG-OE1 3.33Å; R71-E75 IonicContact CZ-OE1 2.91Å; R71-E75 IonicContact NE-OE1 3.18Å; R71-E75 PolarHBondContact NE-OE1 2.94Å; R71-E75 WeakPolarHBondContact O-CG 3.46Å; R71-E75 PolarHBondContact O-N 2.81Å; E75-H79 PolarHBondContact O-N 2.82Å; E75-L152 HydrophobicContact CG-CD1 4.42Å; E75-L152 HydrophobicContact CG-CD2 4.29Å
76	K	94.7	Very high	89.8	Confident	115 Å²	115	67.2 Å²	67.2	50%	0.5	33%	0.333	S	S	.	.	H	α-helix	trans	-73.1	-32.3	171.7	-68.2	171.1	-172.5	168.1	0	112.9	A72 K73 L74 R80 F237	A72-K76 WeakPolarHBondContact O-CD 3.48Å; A72-K76 WeakPolarHBondContact O-CG 3.44Å; K73-K76 WeakPolarHBondContact O-CB 3.4Å; K73-K76 PolarHBondContact O-N 3.06Å; L74-K76 VanDerWaalsContact C-N 3.27Å; L74-K76 PolarHBondContact O-N 3Å; K76-R80 PolarHBondContact O-N 3.07Å; K76-F237 HydrophobicContact CB-CB 4.34Å; K76-F237 HydrophobicContact CB-CD1 3.67Å; K76-F237 HydrophobicContact CB-CD2 4.03Å; K76-F237 HydrophobicContact CB-CE1 3.96Å; K76-F237 HydrophobicContact CB-CE2 4.28Å; K76-F237 HydrophobicContact CB-CG 3.74Å; K76-F237 HydrophobicContact CB-CZ 4.26Å; K76-F237 HydrophobicContact CD-CD1 4.15Å; K76-F237 HydrophobicContact CD-CE1 3.76Å; K76-F237 HydrophobicContact CD-CZ 4.25Å; K76-F237 HydrophobicContact CG-CE1 4.46Å
77	R	96.1	Very high	92	Very high	1 Å²	1	61.1 Å²	61.1	0%	0.004	31%	0.308	C	S	.	.	H	α-helix	trans	-62.2	-51.4	170.1	179.8	-167.2	169.8	-101.4	-15.6	110.1	K73 L74 H79 R80 I81 S155 I234 F237 T238 H242 D244	K73-R77 PolarHBondContact O-N 3.44Å; L74-R77 WeakPolarHBondContact O-CA 3.28Å; L74-R77 VanDerWaalsContact O-CB 3.31Å; L74-R77 WeakPolarHBondContact O-CB 3.39Å; L74-R77 PolarHBondContact O-N 3.45Å; L74-R77 VanDerWaalsContact O-N 3.11Å; R77-H79 VanDerWaalsContact C-N 3.33Å; R77-H79 PolarHBondContact O-N 3.43Å; R77-R80 PolarHBondContact O-N 2.91Å; R77-I81 HydrophobicContact CG-CD1 3.85Å; R77-I81 WeakPolarHBondContact O-CG1 3.18Å; R77-I81 PolarHBondContact O-N 2.94Å; R77-S155 PolarHBondContact NH1-O 2.97Å; R77-S155 PolarHBondContact NH2-O 3.13Å; R77-I234 HydrophobicContact CG-CG2 4.17Å; R77-F237 HydrophobicContact CB-CB 3.88Å; R77-T238 VanDerWaalsContact CD-OG1 3.27Å; R77-T238 WeakPolarHBondContact CD-OG1 3.43Å; R77-T238 PolarHBondContact NE-OG1 2.92Å; R77-H242 PolarHBondContact NH1-CE1 3.17Å; R77-H242 VanDerWaalsContact NH1-CE1 3.3Å; R77-H242 PolarHBondContact NH1-NE2 3.27Å; R77-H242 PolarHBondContact NH2-CE1 3.41Å; R77-D244 IonicContact CZ-OD2 2.75Å; R77-D244 IonicContact NH2-OD2 3.39Å; R77-D244 PolarHBondContact NH2-OD2 3.23Å
78	Q	96.5	Very high	93.8	Very high	50 Å²	50	57.4 Å²	57.4	23%	0.234	29%	0.289	C	S	.	.	H	α-helix	trans	-54.5	-48.3	175.8	178.1	-179.3	13.9	0	0	111.4	L74 R80 I81 F82 W150 L152	L74-Q78 PolarHBondContact O-N 2.73Å; Q78-R80 VanDerWaalsContact C-N 3.33Å; Q78-R80 PolarHBondContact O-N 2.99Å; Q78-I81 PolarHBondContact O-N 2.95Å; Q78-I81 VanDerWaalsContact O-N 3.11Å; Q78-F82 HydrophobicContact CG-CD1 4.28Å; Q78-F82 HydrophobicContact CG-CD2 4.15Å; Q78-F82 HydrophobicContact CG-CE1 4.11Å; Q78-F82 HydrophobicContact CG-CE2 3.98Å; Q78-F82 HydrophobicContact CG-CG 4.32Å; Q78-F82 HydrophobicContact CG-CZ 3.97Å; Q78-F82 VanDerWaalsContact NE2-CE2 3.26Å; Q78-F82 PolarHBondContact O-N 2.99Å; Q78-W150 HydrophobicContact CB-CZ2 4.11Å; Q78-W150 HydrophobicContact CG-CZ2 4.3Å; Q78-W150 VanDerWaalsContact NE2-CD1 3.28Å; Q78-L152 HydrophobicContact CB-CD2 4.14Å
79	H	96.3	Very high	94.8	Very high	127 Å²	127	56 Å²	56	59%	0.588	27%	0.273	S	S	*	.	H	α-helix	trans	-56.6	-43.7	179.1	-177.3	64.1	0	0	0	112.8	E75 R77 E83	E75-H79 PolarHBondContact O-N 2.82Å; R77-H79 VanDerWaalsContact C-N 3.33Å; R77-H79 PolarHBondContact O-N 3.43Å; H79-E83 VanDerWaalsContact O-CB 3.29Å; H79-E83 WeakPolarHBondContact O-CB 3.48Å; H79-E83 PolarHBondContact O-N 3.4Å
80	R	95.9	Very high	95.2	Very high	70 Å²	70	55.5 Å²	55.5	26%	0.264	27%	0.265	S	S	.	.	H	α-helix	trans	-69.1	-32.3	176.1	-69	-55.3	-164	-177.7	3.3	113.7	K76 R77 Q78 E83 F84 I234 F237	K76-R80 PolarHBondContact O-N 3.07Å; R77-R80 PolarHBondContact O-N 2.91Å; Q78-R80 VanDerWaalsContact C-N 3.33Å; Q78-R80 PolarHBondContact O-N 2.99Å; R80-E83 WeakPolarHBondContact CD-OE2 3.35Å; R80-E83 IonicContact CZ-OE2 2.7Å; R80-E83 IonicContact NE-OE2 2.72Å; R80-E83 VanDerWaalsContact NH1-CD 3.28Å; R80-E83 IonicContact NH1-OE1 2.97Å; R80-E83 PolarHBondContact NH1-OE1 3.19Å; R80-E83 VanDerWaalsContact NH1-OE1 3.09Å; R80-E83 IonicContact NH1-OE2 2.77Å; R80-E83 PolarHBondContact NH1-OE2 3.19Å; R80-F84 WeakPolarHBondContact O-CB 3.35Å; R80-F84 PolarHBondContact O-N 3.49Å; R80-I234 HydrophobicContact CB-CG1 3.69Å; R80-F237 HydrophobicContact CG-CD2 4.07Å; R80-F237 HydrophobicContact CG-CE2 4.34Å
81	I	97.2	Very high	95.6	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-73.1	-41.2	176.9	-67.4	175.1	0	0	0	110.9	R77 Q78 F84 F85 W150 L157 I234	R77-I81 HydrophobicContact CG-CD1 3.85Å; R77-I81 WeakPolarHBondContact O-CG1 3.18Å; R77-I81 PolarHBondContact O-N 2.94Å; Q78-I81 PolarHBondContact O-N 2.95Å; Q78-I81 VanDerWaalsContact O-N 3.11Å; I81-F84 WeakPolarHBondContact O-CB 3.42Å; I81-F84 PolarHBondContact O-N 3.44Å; I81-F85 HydrophobicContact CG2-CD2 4.28Å; I81-F85 HydrophobicContact CG2-CE1 3.92Å; I81-F85 HydrophobicContact CG2-CE2 3.58Å; I81-F85 HydrophobicContact CG2-CZ 3.35Å; I81-F85 WeakPolarHBondContact O-CG 3.21Å; I81-F85 PolarHBondContact O-N 3.13Å; I81-W150 HydrophobicContact CB-CH2 4.25Å; I81-W150 HydrophobicContact CD1-CH2 3.52Å; I81-W150 HydrophobicContact CD1-CZ2 4.27Å; I81-W150 HydrophobicContact CD1-CZ3 4.35Å; I81-W150 HydrophobicContact CG1-CH2 4.46Å; I81-W150 HydrophobicContact CG2-CH2 3.94Å; I81-W150 HydrophobicContact CG2-CZ3 3.82Å; I81-L157 HydrophobicContact CD1-CB 4.5Å; I81-L157 HydrophobicContact CG1-CD2 4.26Å; I81-I234 HydrophobicContact CD1-CG2 3.74Å; I81-I234 HydrophobicContact CG1-CB 4.43Å; I81-I234 HydrophobicContact CG1-CD1 3.75Å; I81-I234 HydrophobicContact CG1-CG1 3.77Å; I81-I234 HydrophobicContact CG1-CG2 3.72Å
82	F	97.2	Very high	95.9	Very high	53 Å²	53	46.4 Å²	46.4	23%	0.232	23%	0.225	C	C	.	.	H	α-helix	trans	-70.2	-35.6	175.7	-72.5	9.5	0	0	0	111.7	Q78 F84 F85 V86 E147 W150	Q78-F82 HydrophobicContact CG-CD1 4.28Å; Q78-F82 HydrophobicContact CG-CD2 4.15Å; Q78-F82 HydrophobicContact CG-CE1 4.11Å; Q78-F82 HydrophobicContact CG-CE2 3.98Å; Q78-F82 HydrophobicContact CG-CG 4.32Å; Q78-F82 HydrophobicContact CG-CZ 3.97Å; Q78-F82 VanDerWaalsContact NE2-CE2 3.26Å; Q78-F82 PolarHBondContact O-N 2.99Å; F82-F84 VanDerWaalsContact C-N 3.34Å; F82-F85 AromaticContact CD1-CD2 3.91Å; F82-F85 HydrophobicContact CD1-CD2 3.91Å; F82-F85 AromaticContact CD1-CE2 3.99Å; F82-F85 HydrophobicContact CD1-CE2 3.99Å; F82-F85 HydrophobicContact CE1-CD2 4.46Å; F82-F85 HydrophobicContact CE1-CE2 4.23Å; F82-F85 PolarHBondContact O-N 3Å; F82-V86 WeakPolarHBondContact O-CG2 3.5Å; F82-V86 PolarHBondContact O-N 2.7Å; F82-E147 HydrophobicContact CD1-CG 4.34Å; F82-E147 HydrophobicContact CE1-CG 3.94Å; F82-E147 HydrophobicContact CE2-CG 4.48Å; F82-E147 HydrophobicContact CZ-CG 4Å; F82-W150 HydrophobicContact CE1-CB 4.22Å; F82-W150 AromaticContact CE1-CD2 3.61Å; F82-W150 HydrophobicContact CE1-CD2 3.61Å; F82-W150 AromaticContact CE1-CE3 3.76Å; F82-W150 HydrophobicContact CE1-CE3 3.76Å; F82-W150 AromaticContact CE1-CG 3.78Å; F82-W150 HydrophobicContact CE1-CG 3.78Å; F82-W150 HydrophobicContact CZ-CB 3.87Å; F82-W150 AromaticContact CZ-CD2 3.99Å; F82-W150 HydrophobicContact CZ-CD2 3.99Å; F82-W150 AromaticContact CZ-CG 3.63Å; F82-W150 HydrophobicContact CZ-CG 3.63Å
83	E	97.3	Very high	96.1	Very high	52 Å²	52	49.1 Å²	49.1	24%	0.243	23%	0.231	C	C	.	.	H	α-helix	trans	-58.8	-44	167.5	178.6	-175.3	-153.4	0	0	111.6	H79 R80 V86 T87 L230	H79-E83 VanDerWaalsContact O-CB 3.29Å; H79-E83 WeakPolarHBondContact O-CB 3.48Å; H79-E83 PolarHBondContact O-N 3.4Å; R80-E83 WeakPolarHBondContact CD-OE2 3.35Å; R80-E83 IonicContact CZ-OE2 2.7Å; R80-E83 IonicContact NE-OE2 2.72Å; R80-E83 VanDerWaalsContact NH1-CD 3.28Å; R80-E83 IonicContact NH1-OE1 2.97Å; R80-E83 PolarHBondContact NH1-OE1 3.19Å; R80-E83 VanDerWaalsContact NH1-OE1 3.09Å; R80-E83 IonicContact NH1-OE2 2.77Å; R80-E83 PolarHBondContact NH1-OE2 3.19Å; E83-V86 PolarHBondContact O-N 3.34Å; E83-T87 WeakPolarHBondContact O-CG2 3.17Å; E83-T87 PolarHBondContact O-N 3.11Å; E83-T87 PolarHBondContact O-OG1 2.83Å; E83-L230 HydrophobicContact CG-CD2 4.09Å
84	F	97.1	Very high	96.1	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.009	23%	0.225	C	C	.	.	H	α-helix	trans	-58.7	-49.9	173.7	170.9	-97	0	0	0	111.4	R80 I81 F82 V86 T87 E88 F143 L157 L161 I227 L230 M231	R80-F84 WeakPolarHBondContact O-CB 3.35Å; R80-F84 PolarHBondContact O-N 3.49Å; I81-F84 WeakPolarHBondContact O-CB 3.42Å; I81-F84 PolarHBondContact O-N 3.44Å; F82-F84 VanDerWaalsContact C-N 3.34Å; F84-V86 PolarHBondContact O-N 3.17Å; F84-T87 PolarHBondContact O-N 3.02Å; F84-T87 PolarHBondContact O-OG1 3.12Å; F84-E88 WeakPolarHBondContact O-CB 3.29Å; F84-E88 PolarHBondContact O-N 3.49Å; F84-F143 HydrophobicContact CE1-CD1 4.41Å; F84-F143 AromaticContact CE1-CE1 3.76Å; F84-F143 HydrophobicContact CE1-CE1 3.76Å; F84-F143 HydrophobicContact CE1-CE2 4.33Å; F84-F143 AromaticContact CE1-CZ 3.71Å; F84-F143 HydrophobicContact CE1-CZ 3.71Å; F84-F143 HydrophobicContact CZ-CE1 4.47Å; F84-F143 HydrophobicContact CZ-CZ 4.04Å; F84-L157 HydrophobicContact CD1-CD2 4.47Å; F84-L157 HydrophobicContact CE1-CD1 4.38Å; F84-L161 HydrophobicContact CE1-CD1 4.18Å; F84-L161 HydrophobicContact CZ-CD1 3.97Å; F84-L161 HydrophobicContact CZ-CD2 4.33Å; F84-I227 HydrophobicContact CE2-CD1 4.38Å; F84-I227 HydrophobicContact CE2-CG1 4.06Å; F84-I227 HydrophobicContact CE2-CG2 4.08Å; F84-L230 HydrophobicContact CB-CD1 4.31Å; F84-L230 HydrophobicContact CD2-CB 4.36Å; F84-L230 HydrophobicContact CD2-CD1 3.97Å; F84-M231 HydrophobicContact CD1-CE 4.3Å; F84-M231 HydrophobicContact CD2-CE 3.5Å; F84-M231 HydrophobicContact CE1-CE 4.37Å; F84-M231 HydrophobicContact CE2-CE 3.59Å; F84-M231 HydrophobicContact CG-CE 3.9Å; F84-M231 HydrophobicContact CZ-CE 4.04Å
85	F	97.7	Very high	96.2	Very high	1 Å²	1	46.1 Å²	46.1	0%	0.004	22%	0.218	C	C	.	.	H	α-helix	trans	-59.6	-42.3	176.9	-59.4	-26.6	0	0	0	113.2	I81 F82 E88 R89 F143 L146 E147 L157	I81-F85 HydrophobicContact CG2-CD2 4.28Å; I81-F85 HydrophobicContact CG2-CE1 3.92Å; I81-F85 HydrophobicContact CG2-CE2 3.58Å; I81-F85 HydrophobicContact CG2-CZ 3.35Å; I81-F85 WeakPolarHBondContact O-CG 3.21Å; I81-F85 PolarHBondContact O-N 3.13Å; F82-F85 AromaticContact CD1-CD2 3.91Å; F82-F85 HydrophobicContact CD1-CD2 3.91Å; F82-F85 AromaticContact CD1-CE2 3.99Å; F82-F85 HydrophobicContact CD1-CE2 3.99Å; F82-F85 HydrophobicContact CE1-CD2 4.46Å; F82-F85 HydrophobicContact CE1-CE2 4.23Å; F82-F85 PolarHBondContact O-N 3Å; F85-E88 PolarHBondContact O-N 2.77Å; F85-R89 WeakPolarHBondContact O-CG 3.15Å; F85-R89 PolarHBondContact O-N 3.15Å; F85-F143 HydrophobicContact CD1-CB 3.79Å; F85-F143 AromaticContact CD1-CD1 3.77Å; F85-F143 HydrophobicContact CD1-CD1 3.77Å; F85-F143 AromaticContact CD1-CG 3.82Å; F85-F143 HydrophobicContact CD1-CG 3.82Å; F85-F143 HydrophobicContact CE1-CB 3.99Å; F85-F143 AromaticContact CE1-CD1 3.42Å; F85-F143 HydrophobicContact CE1-CD1 3.42Å; F85-F143 VanDerWaalsContact CE1-CD1 3.42Å; F85-F143 HydrophobicContact CE1-CE1 4.17Å; F85-F143 AromaticContact CE1-CG 3.92Å; F85-F143 HydrophobicContact CE1-CG 3.92Å; F85-F143 HydrophobicContact CG-CB 4.34Å; F85-F143 HydrophobicContact CZ-CD1 4.4Å; F85-L146 HydrophobicContact CZ-CB 4.37Å; F85-L146 HydrophobicContact CZ-CD2 3.91Å; F85-L146 HydrophobicContact CZ-CG 4.13Å; F85-E147 HydrophobicContact CD2-CB 3.96Å; F85-E147 HydrophobicContact CD2-CG 4.26Å; F85-E147 VanDerWaalsContact CD2-OE2 3.26Å; F85-E147 WeakPolarHBondContact CD2-OE2 3.24Å; F85-E147 HydrophobicContact CE2-CB 3.98Å; F85-L157 HydrophobicContact CE1-CD1 3.74Å; F85-L157 HydrophobicContact CZ-CD1 4.17Å
86	V	96.9	Very high	96.3	Very high	74 Å²	74	47.6 Å²	47.6	45%	0.448	22%	0.22	S	C	.	.	H	α-helix	trans	-66	-42.2	177.2	170.4	0	0	0	0	111.5	F82 E83 F84 E88 N90	F82-V86 WeakPolarHBondContact O-CG2 3.5Å; F82-V86 PolarHBondContact O-N 2.7Å; E83-V86 PolarHBondContact O-N 3.34Å; F84-V86 PolarHBondContact O-N 3.17Å; V86-E88 VanDerWaalsContact C-N 3.28Å; V86-E88 PolarHBondContact O-N 3.48Å; V86-N90 PolarHBondContact O-N 2.83Å; V86-N90 PolarHBondContact O-ND2 2.88Å
87	T	96.6	Very high	96.3	Very high	48 Å²	48	42.3 Å²	42.3	29%	0.294	20%	0.197	S	C	.	.	H	α-helix	trans	-68	-30.3	175.2	62.6	0	0	0	0	112.4	E83 F84 Y91 R223	E83-T87 WeakPolarHBondContact O-CG2 3.17Å; E83-T87 PolarHBondContact O-N 3.11Å; E83-T87 PolarHBondContact O-OG1 2.83Å; F84-T87 PolarHBondContact O-N 3.02Å; F84-T87 PolarHBondContact O-OG1 3.12Å; T87-Y91 VanDerWaalsContact O-CB 3.31Å; T87-Y91 WeakPolarHBondContact O-CB 3.45Å; T87-Y91 PolarHBondContact O-N 3.21Å; T87-R223 PolarHBondContact OG1-NH1 3.27Å; T87-R223 PolarHBondContact OG1-NH2 3.15Å
88	E	96.7	Very high	96.3	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-73.3	-45.8	179.9	-169.1	43.5	-125.9	0	0	112	F84 F85 V86 N90 Y91 V92 H136 F143 R223	F84-E88 WeakPolarHBondContact O-CB 3.29Å; F84-E88 PolarHBondContact O-N 3.49Å; F85-E88 PolarHBondContact O-N 2.77Å; V86-E88 VanDerWaalsContact C-N 3.28Å; V86-E88 PolarHBondContact O-N 3.48Å; E88-N90 VanDerWaalsContact C-N 3.35Å; E88-N90 PolarHBondContact O-N 3.41Å; E88-Y91 WeakPolarHBondContact O-CB 3.33Å; E88-Y91 PolarHBondContact O-N 2.68Å; E88-Y91 VanDerWaalsContact O-N 3.12Å; E88-V92 PolarHBondContact O-N 3.18Å; E88-H136 IonicContact OE1-CE1 2.73Å; E88-H136 IonicContact OE1-CG 3.71Å; E88-H136 IonicContact OE1-ND1 3.77Å; E88-H136 PolarHBondContact OE1-ND1 2.94Å; E88-H136 IonicContact OE2-CE1 3.7Å; E88-H136 IonicContact OE2-ND1 3.15Å; E88-H136 PolarHBondContact OE2-ND1 3.06Å; E88-F143 HydrophobicContact CG-CD2 3.89Å; E88-F143 HydrophobicContact CG-CE2 3.5Å; E88-F143 VanDerWaalsContact CG-CE2 3.5Å; E88-F143 HydrophobicContact CG-CZ 4.42Å; E88-R223 IonicContact OE2-CZ 3.23Å; E88-R223 VanDerWaalsContact OE2-CZ 3.25Å; E88-R223 IonicContact OE2-NE 3.27Å; E88-R223 PolarHBondContact OE2-NE 2.91Å; E88-R223 IonicContact OE2-NH2 3.82Å; E88-R223 PolarHBondContact OE2-NH2 3.34Å
89	R	96.8	Very high	96.2	Very high	69 Å²	69	40.7 Å²	40.7	26%	0.26	19%	0.192	S	C	.	.	H	α-helix	trans	-55.4	-47.8	170.6	-73.7	172.9	-173.2	121.6	11.3	112.1	F85 Y91 V92 E93 Q140 N144 E147	F85-R89 WeakPolarHBondContact O-CG 3.15Å; F85-R89 PolarHBondContact O-N 3.15Å; R89-Y91 VanDerWaalsContact C-N 3.27Å; R89-Y91 PolarHBondContact O-N 2.97Å; R89-V92 PolarHBondContact O-N 2.93Å; R89-E93 PolarHBondContact O-N 3.08Å; R89-E93 VanDerWaalsContact O-N 3.08Å; R89-Q140 VanDerWaalsContact CG-OE1 3.22Å; R89-N144 PolarHBondContact NE-OD1 2.83Å; R89-N144 VanDerWaalsContact NE-OD1 3.15Å; R89-N144 PolarHBondContact NH2-OD1 3.18Å; R89-E147 IonicContact CZ-OE2 3.38Å; R89-E147 IonicContact NH1-OE1 3.66Å; R89-E147 PolarHBondContact NH1-OE1 2.91Å; R89-E147 IonicContact NH1-OE2 2.7Å; R89-E147 PolarHBondContact NH1-OE2 3.18Å; R89-E147 IonicContact NH2-OE2 2.91Å; R89-E147 PolarHBondContact NH2-OE2 2.56Å
90	N	94.4	Very high	96.2	Very high	80 Å²	80	39.1 Å²	39.1	43%	0.428	19%	0.187	S	C	.	.	H	α-helix	trans	-63.8	-32.2	177.8	-75	-47.9	0	0	0	112.6	V86 E88 I94	V86-N90 PolarHBondContact O-N 2.83Å; V86-N90 PolarHBondContact O-ND2 2.88Å; E88-N90 VanDerWaalsContact C-N 3.35Å; E88-N90 PolarHBondContact O-N 3.41Å; N90-I94 WeakPolarHBondContact O-CD1 3.49Å; N90-I94 WeakPolarHBondContact O-CG1 3.42Å; N90-I94 PolarHBondContact O-N 2.89Å
91	Y	96.6	Very high	96	Very high	12 Å²	12	38.5 Å²	38.5	5%	0.047	19%	0.189	C	C	.	.	H	α-helix	trans	-72.8	-44.7	176.6	177.9	-118.8	0	0	0	111.9	T87 E88 R89 E93 I94 L95 I132 H136 Y173 R219 P220 R223	T87-Y91 VanDerWaalsContact O-CB 3.31Å; T87-Y91 WeakPolarHBondContact O-CB 3.45Å; T87-Y91 PolarHBondContact O-N 3.21Å; E88-Y91 WeakPolarHBondContact O-CB 3.33Å; E88-Y91 PolarHBondContact O-N 2.68Å; E88-Y91 VanDerWaalsContact O-N 3.12Å; R89-Y91 VanDerWaalsContact C-N 3.27Å; R89-Y91 PolarHBondContact O-N 2.97Å; Y91-E93 PolarHBondContact O-N 3.41Å; Y91-I94 PolarHBondContact O-N 3.36Å; Y91-L95 HydrophobicContact CD1-CD1 4.09Å; Y91-L95 HydrophobicContact CE1-CD1 3.52Å; Y91-L95 HydrophobicContact CE1-CG 4.24Å; Y91-L95 HydrophobicContact CE2-CD1 4.26Å; Y91-L95 HydrophobicContact CE2-CD2 4.24Å; Y91-L95 HydrophobicContact CE2-CG 4.09Å; Y91-L95 PolarHBondContact O-N 2.88Å; Y91-I132 HydrophobicContact CE1-CG2 4.49Å; Y91-I132 WeakPolarHBondContact OH-CG2 3.34Å; Y91-H136 AromaticContact CD1-ND1 3.87Å; Y91-H136 AromaticContact CE1-CE1 3.95Å; Y91-H136 AromaticContact CE1-CG 3.98Å; Y91-H136 AromaticContact CE1-ND1 3.8Å; Y91-Y173 WeakPolarHBondContact CE1-OH 3.35Å; Y91-Y173 PolarHBondContact OH-OH 2.88Å; Y91-R219 HydrophobicContact CD2-CB 4.39Å; Y91-R219 HydrophobicContact CE2-CB 4.11Å; Y91-P220 VanDerWaalsContact OH-CA 3.31Å; Y91-P220 WeakPolarHBondContact OH-CA 3.15Å; Y91-P220 WeakPolarHBondContact OH-CB 3.36Å; Y91-R223 HydrophobicContact CD1-CG 3.8Å; Y91-R223 HydrophobicContact CD2-CB 4.49Å; Y91-R223 HydrophobicContact CD2-CG 4.41Å; Y91-R223 HydrophobicContact CE1-CB 4.09Å; Y91-R223 HydrophobicContact CE1-CG 3.62Å; Y91-R223 HydrophobicContact CE2-CB 4.01Å; Y91-R223 HydrophobicContact CE2-CG 4.27Å; Y91-R223 HydrophobicContact CG-CG 4.2Å
92	V	96.9	Very high	95.8	Very high	7 Å²	7	38.5 Å²	38.5	4%	0.042	19%	0.189	C	C	.	.	H	α-helix	trans	-62.4	-41.8	176.6	171.3	0	0	0	0	112.1	E88 R89 I94 L95 R96 Y133 H136 D137 Q140	E88-V92 PolarHBondContact O-N 3.18Å; R89-V92 PolarHBondContact O-N 2.93Å; V92-I94 VanDerWaalsContact C-N 3.3Å; V92-I94 PolarHBondContact O-N 3.24Å; V92-L95 PolarHBondContact O-N 3.31Å; V92-L95 VanDerWaalsContact O-N 3.17Å; V92-R96 VanDerWaalsContact O-CB 3.24Å; V92-R96 WeakPolarHBondContact O-CB 3.37Å; V92-R96 PolarHBondContact O-N 2.76Å; V92-Y133 HydrophobicContact CG1-CD2 4.39Å; V92-Y133 HydrophobicContact CG1-CE2 3.9Å; V92-H136 HydrophobicContact CG2-CB 3.63Å; V92-D137 HydrophobicContact CG1-CB 4.21Å; V92-Q140 HydrophobicContact CB-CG 4.34Å; V92-Q140 HydrophobicContact CG1-CG 4.12Å; V92-Q140 HydrophobicContact CG2-CG 4.08Å; V92-Q140 VanDerWaalsContact CG2-NE2 3.27Å
93	E	94.8	Very high	95.7	Very high	95 Å²	95	37.9 Å²	37.9	44%	0.444	19%	0.185	S	C	.	.	H	α-helix	trans	-66.5	-31.2	177.9	-170.6	59.9	-155.2	0	0	112.3	R89 Y91 R96 Y97	R89-E93 PolarHBondContact O-N 3.08Å; R89-E93 VanDerWaalsContact O-N 3.08Å; Y91-E93 PolarHBondContact O-N 3.41Å; E93-R96 IonicContact OE1-NH1 3.96Å; E93-R96 WeakPolarHBondContact OE2-CD 3.38Å; E93-R96 IonicContact OE2-CZ 3.84Å; E93-R96 IonicContact OE2-NE 3.96Å; E93-R96 IonicContact OE2-NH1 2.91Å; E93-R96 PolarHBondContact OE2-NH1 2.95Å; E93-Y97 WeakPolarHBondContact O-CB 3.02Å; E93-Y97 PolarHBondContact O-N 2.93Å
94	I	94.2	Very high	95.6	Very high	31 Å²	31	38 Å²	38	16%	0.159	19%	0.19	C	C	.	.	H	α-helix	trans	-65.8	-46.8	170	-71.7	168	0	0	0	111.2	N90 Y91 V92 R96 Y97 L98 L216 R219	N90-I94 WeakPolarHBondContact O-CD1 3.49Å; N90-I94 WeakPolarHBondContact O-CG1 3.42Å; N90-I94 PolarHBondContact O-N 2.89Å; Y91-I94 PolarHBondContact O-N 3.36Å; V92-I94 VanDerWaalsContact C-N 3.3Å; V92-I94 PolarHBondContact O-N 3.24Å; I94-R96 VanDerWaalsContact C-N 3.33Å; I94-R96 PolarHBondContact O-N 2.8Å; I94-Y97 PolarHBondContact O-N 3.02Å; I94-L98 HydrophobicContact CG2-CD1 4.08Å; I94-L98 WeakPolarHBondContact O-CG 3.33Å; I94-L98 PolarHBondContact O-N 3.36Å; I94-L216 HydrophobicContact CG1-CD2 4.46Å; I94-L216 HydrophobicContact CG2-CB 4.46Å; I94-L216 HydrophobicContact CG2-CD2 4.01Å; I94-R219 HydrophobicContact CG2-CG 4.44Å
95	L	96.4	Very high	95.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61	-42.8	176.7	-72.6	179.4	0	0	0	111.7	Y91 V92 L98 C99 L129 I132 Y133 H136 P220	Y91-L95 HydrophobicContact CD1-CD1 4.09Å; Y91-L95 HydrophobicContact CE1-CD1 3.52Å; Y91-L95 HydrophobicContact CE1-CG 4.24Å; Y91-L95 HydrophobicContact CE2-CD1 4.26Å; Y91-L95 HydrophobicContact CE2-CD2 4.24Å; Y91-L95 HydrophobicContact CE2-CG 4.09Å; Y91-L95 PolarHBondContact O-N 2.88Å; V92-L95 PolarHBondContact O-N 3.31Å; V92-L95 VanDerWaalsContact O-N 3.17Å; L95-L98 PolarHBondContact O-N 3.35Å; L95-C99 WeakPolarHBondContact O-CB 3.49Å; L95-C99 PolarHBondContact O-N 2.89Å; L95-C99 PolarHBondContact O-SG 2.84Å; L95-L129 HydrophobicContact CD2-CD2 4.22Å; L95-I132 HydrophobicContact CD1-CG2 3.94Å; L95-Y133 HydrophobicContact CB-CD2 3.8Å; L95-Y133 HydrophobicContact CB-CG 4.31Å; L95-H136 HydrophobicContact CD1-CB 4.46Å; L95-P220 HydrophobicContact CD2-CG 4.16Å
96	R	95.9	Very high	95.2	Very high	112 Å²	112	41.1 Å²	41.1	42%	0.423	21%	0.205	S	C	.	.	H	α-helix	trans	-60	-48.8	176.8	-170.2	-170.6	-163.6	-174.1	5.7	111.5	V92 E93 I94 L98 C99 L100 Y133	V92-R96 VanDerWaalsContact O-CB 3.24Å; V92-R96 WeakPolarHBondContact O-CB 3.37Å; V92-R96 PolarHBondContact O-N 2.76Å; E93-R96 IonicContact OE1-NH1 3.96Å; E93-R96 WeakPolarHBondContact OE2-CD 3.38Å; E93-R96 IonicContact OE2-CZ 3.84Å; E93-R96 IonicContact OE2-NE 3.96Å; E93-R96 IonicContact OE2-NH1 2.91Å; E93-R96 PolarHBondContact OE2-NH1 2.95Å; I94-R96 VanDerWaalsContact C-N 3.33Å; I94-R96 PolarHBondContact O-N 2.8Å; R96-L98 VanDerWaalsContact C-N 3.31Å; R96-L98 PolarHBondContact O-N 2.9Å; R96-C99 PolarHBondContact O-N 2.96Å; R96-L100 HydrophobicContact CG-CD1 3.71Å; R96-L100 HydrophobicContact CG-CG 4.28Å; R96-L100 WeakPolarHBondContact O-CB 3.2Å; R96-L100 PolarHBondContact O-N 2.98Å; R96-Y133 HydrophobicContact CB-CD2 4.36Å; R96-Y133 HydrophobicContact CB-CE2 3.71Å; R96-Y133 HydrophobicContact CG-CE2 4.12Å
97	Y	94.8	Very high	95.1	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.016	19%	0.192	C	C	.	.	I	π-helix	trans	-58.8	-42.4	173.5	170.6	-96.6	0	0	0	111.7	E93 I94 N101 A102 V202 R205 E207 L216	E93-Y97 WeakPolarHBondContact O-CB 3.02Å; E93-Y97 PolarHBondContact O-N 2.93Å; I94-Y97 PolarHBondContact O-N 3.02Å; Y97-N101 HydrophobicContact CD2-CB 3.71Å; Y97-N101 HydrophobicContact CE2-CB 3.9Å; Y97-N101 HydrophobicContact CG-CB 4.5Å; Y97-N101 CarbonylContact O-C 3.51Å; Y97-N101 WeakPolarHBondContact O-CA 3.38Å; Y97-N101 WeakPolarHBondContact O-CB 3.43Å; Y97-N101 PolarHBondContact O-N 3.14Å; Y97-N101 VanDerWaalsContact O-N 3.13Å; Y97-A102 HydrophobicContact CE1-CB 4.05Å; Y97-A102 PolarHBondContact O-N 3.33Å; Y97-V202 HydrophobicContact CE1-CG1 4.08Å; Y97-R205 VanDerWaalsContact OH-CD 3.29Å; Y97-R205 WeakPolarHBondContact OH-CD 3.38Å; Y97-R205 PolarHBondContact OH-NH1 3.47Å; Y97-E207 HydrophobicContact CD2-CB 3.45Å; Y97-E207 VanDerWaalsContact CD2-CB 3.45Å; Y97-E207 HydrophobicContact CD2-CG 4.31Å; Y97-E207 WeakPolarHBondContact CD2-OE2 3.35Å; Y97-E207 HydrophobicContact CE2-CB 3.72Å; Y97-E207 WeakPolarHBondContact CE2-OE2 3.11Å; Y97-E207 HydrophobicContact CG-CB 4.26Å; Y97-L216 HydrophobicContact CD1-CD1 4.13Å; Y97-L216 HydrophobicContact CE1-CD1 3.96Å
98	L	95.6	Very high	94.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.193	C	C	.	.	I	π-helix	trans	-64.6	-46.1	178.1	-72.1	169.1	0	0	0	112.3	I94 L95 R96 Y103 F126 L129 L213 L216 L217	I94-L98 HydrophobicContact CG2-CD1 4.08Å; I94-L98 WeakPolarHBondContact O-CG 3.33Å; I94-L98 PolarHBondContact O-N 3.36Å; L95-L98 PolarHBondContact O-N 3.35Å; R96-L98 VanDerWaalsContact C-N 3.31Å; R96-L98 PolarHBondContact O-N 2.9Å; L98-Y103 WeakPolarHBondContact O-CB 3.48Å; L98-Y103 PolarHBondContact O-N 3.24Å; L98-F126 HydrophobicContact CD2-CE1 4.24Å; L98-L129 HydrophobicContact CB-CD1 3.96Å; L98-L129 HydrophobicContact CD1-CD1 4.12Å; L98-L213 HydrophobicContact CD2-CD1 3.93Å; L98-L216 HydrophobicContact CD1-CB 4.2Å; L98-L216 HydrophobicContact CD2-CB 4.02Å; L98-L216 HydrophobicContact CD2-CD1 4.29Å; L98-L216 HydrophobicContact CG-CB 4.43Å; L98-L217 HydrophobicContact CD1-CD2 4.26Å; L98-L217 HydrophobicContact CD2-CD2 4.03Å
99	C	95.8	Very high	94.6	Very high	17 Å²	17	47 Å²	47	12%	0.115	23%	0.227	C	C	.	.	I	π-helix	trans	-81.4	-39	-173	-60.1	0	0	0	0	113.6	L95 R96 P104 Y133	L95-C99 WeakPolarHBondContact O-CB 3.49Å; L95-C99 PolarHBondContact O-N 2.89Å; L95-C99 PolarHBondContact O-SG 2.84Å; R96-C99 PolarHBondContact O-N 2.96Å; C99-P104 VanDerWaalsContact O-CD 3.29Å; C99-P104 WeakPolarHBondContact O-CD 3.12Å; C99-Y133 HydrophobicContact CB-CD1 4.25Å
100	L	94.4	Very high	94.3	Very high	94 Å²	94	50.7 Å²	50.7	49%	0.492	25%	0.252	S	S	.	.	I	π-helix	trans	-100.2	-28.2	-172.9	-52.5	-174.3	0	0	0	113.5	R96 P104 Y133	R96-L100 HydrophobicContact CG-CD1 3.71Å; R96-L100 HydrophobicContact CG-CG 4.28Å; R96-L100 WeakPolarHBondContact O-CB 3.2Å; R96-L100 PolarHBondContact O-N 2.98Å; L100-P104 WeakPolarHBondContact O-CG 3.41Å; L100-Y133 HydrophobicContact CD1-CE1 4.25Å; L100-Y133 HydrophobicContact CD2-CE1 4.41Å; L100-Y133 HydrophobicContact CG-CE1 4.35Å
101	N	93.2	Very high	94.1	Very high	56 Å²	56	49 Å²	49	30%	0.299	24%	0.241	S	C	.	.	I	π-helix	trans	-105.8	-52.3	-178.7	-60.5	23	0	0	0	111.5	Y97 Q105 E207	Y97-N101 HydrophobicContact CD2-CB 3.71Å; Y97-N101 HydrophobicContact CE2-CB 3.9Å; Y97-N101 HydrophobicContact CG-CB 4.5Å; Y97-N101 CarbonylContact O-C 3.51Å; Y97-N101 WeakPolarHBondContact O-CA 3.38Å; Y97-N101 WeakPolarHBondContact O-CB 3.43Å; Y97-N101 PolarHBondContact O-N 3.14Å; Y97-N101 VanDerWaalsContact O-N 3.13Å; N101-Q105 WeakPolarHBondContact O-CG 3.47Å; N101-Q105 PolarHBondContact O-NE2 3.22Å; N101-Q105 VanDerWaalsContact O-NE2 3.08Å; N101-E207 PolarHBondContact ND2-OE2 3Å
102	A	93.4	Very high	93.6	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.279	C	S	.	.	I	π-helix	trans	-76.1	-52.2	-170.5	0	0	0	0	0	112.6	Y97 Q105 V106 F126 F198	Y97-A102 HydrophobicContact CE1-CB 4.05Å; Y97-A102 PolarHBondContact O-N 3.33Å; A102-Q105 PolarHBondContact O-N 3.48Å; A102-V106 PolarHBondContact O-N 3.3Å; A102-F126 HydrophobicContact CB-CE1 4.27Å; A102-F198 HydrophobicContact CB-CZ 4.05Å; A102-F198 WeakPolarHBondContact O-CZ 3.35Å
103	Y	95.2	Very high	93.2	Very high	40 Å²	40	57.6 Å²	57.6	16%	0.157	31%	0.312	C	S	.	.	H	α-helix	trans	-61.2	-48.9	-177.1	168.3	-129.8	0	0	0	113.2	L98 Q105 V106 I107 R119 A122 D123 F126	L98-Y103 WeakPolarHBondContact O-CB 3.48Å; L98-Y103 PolarHBondContact O-N 3.24Å; Y103-Q105 VanDerWaalsContact C-N 3.28Å; Y103-Q105 PolarHBondContact O-N 2.73Å; Y103-V106 WeakPolarHBondContact O-CA 3.26Å; Y103-V106 WeakPolarHBondContact O-CB 3.09Å; Y103-V106 PolarHBondContact O-N 3.23Å; Y103-I107 HydrophobicContact CD2-CG2 4.07Å; Y103-I107 HydrophobicContact CE1-CD1 4.42Å; Y103-I107 HydrophobicContact CE2-CD1 4.26Å; Y103-I107 HydrophobicContact CE2-CG2 3.76Å; Y103-I107 PolarHBondContact O-N 3.28Å; Y103-R119 PolarHBondContact OH-NH2 3.29Å; Y103-A122 HydrophobicContact CE2-CB 4.4Å; Y103-D123 PolarHBondContact OH-OD1 3.29Å; Y103-F126 HydrophobicContact CD2-CB 3.42Å; Y103-F126 VanDerWaalsContact CD2-CB 3.42Å; Y103-F126 HydrophobicContact CD2-CD2 4.04Å; Y103-F126 AromaticContact CD2-CG 3.9Å; Y103-F126 HydrophobicContact CD2-CG 3.9Å; Y103-F126 HydrophobicContact CE2-CB 4Å; Y103-F126 HydrophobicContact CG-CB 3.71Å; Y103-F126 HydrophobicContact CG-CG 4.2Å
104	P	94.4	Very high	93	Very high	54 Å²	54	54 Å²	54	35%	0.351	30%	0.3	S	S	.	.	H	α-helix	trans	-55.8	-38.1	174.9	-31	39.5	0	0	0	113.9	C99 L100 V106 I107 D108	C99-P104 VanDerWaalsContact O-CD 3.29Å; C99-P104 WeakPolarHBondContact O-CD 3.12Å; L100-P104 WeakPolarHBondContact O-CG 3.41Å; P104-V106 VanDerWaalsContact C-N 3.25Å; P104-V106 PolarHBondContact O-N 2.93Å; P104-I107 PolarHBondContact O-N 3.25Å; P104-D108 WeakPolarHBondContact O-CB 3.48Å; P104-D108 PolarHBondContact O-N 3.17Å
105	Q	92.7	Very high	93	Very high	70 Å²	70	54.9 Å²	54.9	33%	0.327	31%	0.308	S	S	.	.	H	α-helix	trans	-68.1	-23.3	176.3	-68.9	168.9	23.5	0	0	113.4	N101 A102 Y103 Q111 V116 F198	N101-Q105 WeakPolarHBondContact O-CG 3.47Å; N101-Q105 PolarHBondContact O-NE2 3.22Å; N101-Q105 VanDerWaalsContact O-NE2 3.08Å; A102-Q105 PolarHBondContact O-N 3.48Å; Y103-Q105 VanDerWaalsContact C-N 3.28Å; Y103-Q105 PolarHBondContact O-N 2.73Å; Q105-Q111 PolarHBondContact O-NE2 3.38Å; Q105-V116 WeakPolarHBondContact O-CG2 3.15Å; Q105-F198 HydrophobicContact CB-CE2 3.96Å
106	V	93.7	Very high	92.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-78.9	-37.5	175	172.7	0	0	0	0	111.4	A102 Y103 P104 V116 L117 A122 F126 F198	A102-V106 PolarHBondContact O-N 3.3Å; Y103-V106 WeakPolarHBondContact O-CA 3.26Å; Y103-V106 WeakPolarHBondContact O-CB 3.09Å; Y103-V106 PolarHBondContact O-N 3.23Å; P104-V106 VanDerWaalsContact C-N 3.25Å; P104-V106 PolarHBondContact O-N 2.93Å; V106-V116 HydrophobicContact CB-CB 4.48Å; V106-V116 HydrophobicContact CG1-CB 4.28Å; V106-V116 PolarHBondContact O-N 2.98Å; V106-L117 HydrophobicContact CG1-CB 3.76Å; V106-L117 HydrophobicContact CG1-CD1 3.96Å; V106-L117 HydrophobicContact CG1-CG 3.96Å; V106-A122 HydrophobicContact CG1-CB 3.81Å; V106-F126 HydrophobicContact CB-CE2 4.36Å; V106-F126 HydrophobicContact CG1-CE2 4.35Å; V106-F126 HydrophobicContact CG2-CE2 3.91Å; V106-F126 HydrophobicContact CG2-CZ 4.2Å; V106-F198 HydrophobicContact CG2-CD1 3.88Å; V106-F198 HydrophobicContact CG2-CD2 4.38Å; V106-F198 HydrophobicContact CG2-CE1 3.44Å; V106-F198 VanDerWaalsContact CG2-CE1 3.44Å; V106-F198 HydrophobicContact CG2-CE2 3.99Å; V106-F198 HydrophobicContact CG2-CG 4.33Å; V106-F198 HydrophobicContact CG2-CZ 3.51Å
107	I	94.6	Very high	92.8	Very high	34 Å²	34	50.2 Å²	50.2	17%	0.174	29%	0.291	C	S	.	.	H	α-helix	trans	-94.6	-12.9	-176.1	62.4	170.2	0	0	0	115.3	Y103 P104 E109 A122	Y103-I107 HydrophobicContact CD2-CG2 4.07Å; Y103-I107 HydrophobicContact CE1-CD1 4.42Å; Y103-I107 HydrophobicContact CE2-CD1 4.26Å; Y103-I107 HydrophobicContact CE2-CG2 3.76Å; Y103-I107 PolarHBondContact O-N 3.28Å; P104-I107 PolarHBondContact O-N 3.25Å; I107-E109 PolarHBondContact O-N 2.91Å; I107-E109 VanDerWaalsContact O-N 3.13Å; I107-A122 HydrophobicContact CG2-CB 3.44Å; I107-A122 VanDerWaalsContact CG2-CB 3.44Å
108	D	92.9	Very high	92.7	Very high	57 Å²	57	52.5 Å²	52.5	31%	0.305	31%	0.307	S	S	.	.			trans	-60	117.5	-177	173.8	35.8	0	0	0	111.8	P104 N110 Q111 P115	P104-D108 WeakPolarHBondContact O-CB 3.48Å; P104-D108 PolarHBondContact O-N 3.17Å; D108-N110 VanDerWaalsContact C-N 3.33Å; D108-N110 WeakPolarHBondContact OD1-CB 3.21Å; D108-N110 PolarHBondContact OD1-N 3.06Å; D108-N110 PolarHBondContact OD1-ND2 3.2Å; D108-Q111 WeakPolarHBondContact O-CG 3.28Å; D108-Q111 PolarHBondContact O-NE2 2.92Å; D108-Q111 WeakPolarHBondContact OD2-CB 3.45Å; D108-Q111 PolarHBondContact OD2-N 2.98Å; D108-Q111 VanDerWaalsContact OD2-N 3.08Å; D108-P115 WeakPolarHBondContact O-CA 3.48Å
109	E	89.6	Confident	92.5	Very high	154 Å²	154	58.9 Å²	58.9	72%	0.72	33%	0.331	S	S	*	.	S	Bend	trans	-77.5	-19.1	179.5	-57.4	-172.8	155.6	0	0	112.9	I107	I107-E109 PolarHBondContact O-N 2.91Å; I107-E109 VanDerWaalsContact O-N 3.13Å
110	N	90.3	Very high	92.4	Very high	148 Å²	148	65.6 Å²	65.6	79%	0.791	36%	0.361	S	S	*	.	S	Bend	trans	-84	-21	-174.4	-53.4	-84.6	0	0	0	113	D108	D108-N110 VanDerWaalsContact C-N 3.33Å; D108-N110 WeakPolarHBondContact OD1-CB 3.21Å; D108-N110 PolarHBondContact OD1-N 3.06Å; D108-N110 PolarHBondContact OD1-ND2 3.2Å
111	Q	90.7	Very high	92.3	Very high	44 Å²	44	63.4 Å²	63.4	21%	0.206	35%	0.348	C	S	.	.	S	Bend	trans	-60.3	150.4	178.5	77.4	-174.4	-85.8	0	0	112	Q105 D108 G113 G114 V116 R194	Q105-Q111 PolarHBondContact O-NE2 3.38Å; D108-Q111 WeakPolarHBondContact O-CG 3.28Å; D108-Q111 PolarHBondContact O-NE2 2.92Å; D108-Q111 WeakPolarHBondContact OD2-CB 3.45Å; D108-Q111 PolarHBondContact OD2-N 2.98Å; D108-Q111 VanDerWaalsContact OD2-N 3.08Å; Q111-G113 PolarHBondContact O-N 3.19Å; Q111-G114 WeakPolarHBondContact CG-O 3.35Å; Q111-G114 PolarHBondContact O-N 3.4Å; Q111-V116 VanDerWaalsContact OE1-CG2 3.3Å; Q111-R194 VanDerWaalsContact CD-NH2 3.33Å
112	P	86.6	Confident	92.3	Very high	128 Å²	128	60.8 Å²	60.8	83%	0.831	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	113.9	-179.7	22.7	-33.6	0	0	0	111.9
113	G	87.4	Confident	92.3	Very high	72 Å²	72	63.2 Å²	63.2	74%	0.742	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.5	0.8	-176	0	0	0	0	0	115.2	Q111 R194	Q111-G113 PolarHBondContact O-N 3.19Å; G113-R194 VanDerWaalsContact C-NH1 3.32Å; G113-R194 PolarHBondContact O-NH1 3.36Å
114	G	91.3	Very high	92	Very high	18 Å²	18	63 Å²	63	19%	0.186	35%	0.347	C	S	.	.	S	Bend	trans	77.7	-167.8	-172.9	0	0	0	0	0	112.2	Q111 R194	Q111-G114 WeakPolarHBondContact CG-O 3.35Å; Q111-G114 PolarHBondContact O-N 3.4Å; G114-R194 VanDerWaalsContact O-CZ 3.25Å; G114-R194 PolarHBondContact O-NH1 3.2Å; G114-R194 PolarHBondContact O-NH2 2.92Å
115	P	93.1	Very high	91.9	Very high	50 Å²	50	61 Å²	61	33%	0.325	33%	0.333	S	S	.	.			trans	-65	158.3	-175.7	30.1	-36.1	0	0	0	112.7	D108 R194	D108-P115 WeakPolarHBondContact O-CA 3.48Å; P115-R194 PolarHBondContact O-NH1 3.13Å
116	V	94.2	Very high	92	Very high	11 Å²	11	57.8 Å²	57.8	7%	0.067	32%	0.318	C	S	.	.	S	Bend	trans	-76.8	-36.7	-177.1	-179.7	0	0	0	0	111.6	Q105 V106 Q111 R194 F195 F198	Q105-V116 WeakPolarHBondContact O-CG2 3.15Å; V106-V116 HydrophobicContact CB-CB 4.48Å; V106-V116 HydrophobicContact CG1-CB 4.28Å; V106-V116 PolarHBondContact O-N 2.98Å; Q111-V116 VanDerWaalsContact OE1-CG2 3.3Å; V116-R194 HydrophobicContact CG1-CB 4.21Å; V116-F195 HydrophobicContact CG1-CB 4.01Å; V116-F195 HydrophobicContact CG1-CD2 4.21Å; V116-F198 HydrophobicContact CG1-CB 3.96Å; V116-F198 HydrophobicContact CG1-CG 4.46Å
117	L	93.8	Very high	91.7	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.016	34%	0.335	C	S	.	.	S	Bend	trans	-126.6	155.5	171	-74.6	179.7	0	0	0	109.7	V106 E121 A122 L188 F192 F195	V106-L117 HydrophobicContact CG1-CB 3.76Å; V106-L117 HydrophobicContact CG1-CD1 3.96Å; V106-L117 HydrophobicContact CG1-CG 3.96Å; L117-E121 HydrophobicContact CB-CB 4.37Å; L117-E121 HydrophobicContact CD1-CB 4.32Å; L117-A122 HydrophobicContact CB-CB 4.27Å; L117-L188 HydrophobicContact CD1-CD1 4.04Å; L117-L188 HydrophobicContact CD2-CB 4.5Å; L117-L188 HydrophobicContact CD2-CD2 4.34Å; L117-F192 HydrophobicContact CD2-CB 3.77Å; L117-F192 HydrophobicContact CD2-CD1 4.37Å; L117-F192 HydrophobicContact CD2-CD2 3.4Å; L117-F192 VanDerWaalsContact CD2-CD2 3.4Å; L117-F192 HydrophobicContact CD2-CE2 4.06Å; L117-F192 HydrophobicContact CD2-CG 3.59Å; L117-F195 HydrophobicContact CD1-CD1 4.28Å; L117-F195 HydrophobicContact CD1-CD2 3.59Å; L117-F195 HydrophobicContact CD1-CE1 4.34Å; L117-F195 HydrophobicContact CD1-CE2 3.65Å; L117-F195 HydrophobicContact CD1-CG 3.92Å; L117-F195 HydrophobicContact CD1-CZ 4.03Å; L117-F195 HydrophobicContact CD2-CB 3.68Å; L117-F195 HydrophobicContact CD2-CD1 4.23Å; L117-F195 HydrophobicContact CD2-CD2 4.2Å; L117-F195 HydrophobicContact CD2-CG 3.79Å; L117-F195 HydrophobicContact CG-CB 4.01Å; L117-F195 HydrophobicContact CG-CD2 3.7Å; L117-F195 HydrophobicContact CG-CE2 4.29Å; L117-F195 HydrophobicContact CG-CG 3.83Å
118	P	93.2	Very high	91.6	Very high	53 Å²	53	61 Å²	61	34%	0.344	34%	0.341	S	S	.	.			trans	-56.7	146	163.5	-18.4	31.1	0	0	0	110.5	Q120 E121 A122 F192	P118-Q120 PolarHBondContact O-N 2.86Å; P118-Q120 VanDerWaalsContact O-N 3.14Å; P118-E121 HydrophobicContact CB-CG 4.18Å; P118-E121 HydrophobicContact CG-CG 4.05Å; P118-E121 PolarHBondContact O-N 2.96Å; P118-E121 VanDerWaalsContact O-N 3.09Å; P118-A122 PolarHBondContact O-N 3.34Å; P118-F192 HydrophobicContact CG-CE1 3.75Å; P118-F192 HydrophobicContact CG-CZ 3.62Å
119	R	92.8	Very high	91.8	Very high	133 Å²	133	58.3 Å²	58.3	50%	0.502	33%	0.326	S	S	.	.	H	α-helix	trans	-54.2	-38.9	-174.8	-176.2	64.7	-163	-127.2	6.3	113.3	Y103 A122 D123	Y103-R119 PolarHBondContact OH-NH2 3.29Å; R119-A122 PolarHBondContact O-N 3.41Å; R119-D123 IonicContact CZ-OD1 2.76Å; R119-D123 IonicContact CZ-OD2 3.21Å; R119-D123 IonicContact NE-OD1 3.96Å; R119-D123 PolarHBondContact NE-OD1 3.35Å; R119-D123 IonicContact NE-OD2 2.75Å; R119-D123 PolarHBondContact NE-OD2 2.7Å; R119-D123 IonicContact NH2-OD1 2.94Å; R119-D123 PolarHBondContact NH2-OD1 3.43Å; R119-D123 IonicContact NH2-OD2 3.49Å; R119-D123 WeakPolarHBondContact O-CB 3.41Å; R119-D123 PolarHBondContact O-N 2.77Å
120	Q	92.1	Very high	92.1	Very high	158 Å²	158	52 Å²	52	74%	0.738	30%	0.303	S	S	*	.	H	α-helix	trans	-62.4	-45.9	178.7	-68.4	171.4	-17.4	0	0	112.6	P118 D123 F124	P118-Q120 PolarHBondContact O-N 2.86Å; P118-Q120 VanDerWaalsContact O-N 3.14Å; Q120-D123 PolarHBondContact O-N 3.29Å; Q120-F124 WeakPolarHBondContact O-CB 3.5Å; Q120-F124 PolarHBondContact O-N 3.44Å
121	E	93	Very high	92.3	Very high	49 Å²	49	47.5 Å²	47.5	23%	0.229	29%	0.286	C	S	.	.	H	α-helix	trans	-67.5	-38.1	177.1	-49.8	-62.7	169.4	0	0	111.3	L117 P118 F124 V125 H184 L188 F192	L117-E121 HydrophobicContact CB-CB 4.37Å; L117-E121 HydrophobicContact CD1-CB 4.32Å; P118-E121 HydrophobicContact CB-CG 4.18Å; P118-E121 HydrophobicContact CG-CG 4.05Å; P118-E121 PolarHBondContact O-N 2.96Å; P118-E121 VanDerWaalsContact O-N 3.09Å; E121-F124 PolarHBondContact O-N 3.41Å; E121-V125 WeakPolarHBondContact O-CG2 3.31Å; E121-V125 PolarHBondContact O-N 3.39Å; E121-H184 IonicContact OE2-CE1 2.67Å; E121-H184 PolarHBondContact OE2-CE1 2.98Å; E121-H184 IonicContact OE2-NE2 3.23Å; E121-L188 HydrophobicContact CB-CD1 4.3Å; E121-L188 HydrophobicContact CB-CD2 3.96Å; E121-L188 HydrophobicContact CG-CD2 3.98Å; E121-F192 HydrophobicContact CG-CE2 4.35Å
122	A	93.5	Very high	92.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-66.4	-40.3	176.3	0	0	0	0	0	112.3	Y103 V106 I107 L117 P118 R119 F124 V125 F126	Y103-A122 HydrophobicContact CE2-CB 4.4Å; V106-A122 HydrophobicContact CG1-CB 3.81Å; I107-A122 HydrophobicContact CG2-CB 3.44Å; I107-A122 VanDerWaalsContact CG2-CB 3.44Å; L117-A122 HydrophobicContact CB-CB 4.27Å; P118-A122 PolarHBondContact O-N 3.34Å; R119-A122 PolarHBondContact O-N 3.41Å; A122-F124 VanDerWaalsContact C-N 3.35Å; A122-V125 PolarHBondContact O-N 2.92Å; A122-F126 WeakPolarHBondContact O-CB 3.24Å; A122-F126 PolarHBondContact O-N 3.28Å
123	D	92.4	Very high	93.2	Very high	52 Å²	52	40.7 Å²	40.7	28%	0.278	24%	0.242	S	C	.	.	H	α-helix	trans	-71.2	-29.9	176.9	-68.9	-15	0	0	0	112	Y103 R119 Q120 G127	Y103-D123 PolarHBondContact OH-OD1 3.29Å; R119-D123 IonicContact CZ-OD1 2.76Å; R119-D123 IonicContact CZ-OD2 3.21Å; R119-D123 IonicContact NE-OD1 3.96Å; R119-D123 PolarHBondContact NE-OD1 3.35Å; R119-D123 IonicContact NE-OD2 2.75Å; R119-D123 PolarHBondContact NE-OD2 2.7Å; R119-D123 IonicContact NH2-OD1 2.94Å; R119-D123 PolarHBondContact NH2-OD1 3.43Å; R119-D123 IonicContact NH2-OD2 3.49Å; R119-D123 WeakPolarHBondContact O-CB 3.41Å; R119-D123 PolarHBondContact O-N 2.77Å; Q120-D123 PolarHBondContact O-N 3.29Å; D123-G127 VanDerWaalsContact O-CA 3.24Å; D123-G127 WeakPolarHBondContact O-CA 3.35Å; D123-G127 PolarHBondContact O-N 2.72Å
124	F	90.3	Very high	93.6	Very high	35 Å²	35	43.7 Å²	43.7	15%	0.154	24%	0.237	C	C	.	.	H	α-helix	trans	-65.9	-46.3	170.6	-168.5	-84.8	0	0	0	111.7	Q120 E121 A122 F179 H184	Q120-F124 WeakPolarHBondContact O-CB 3.5Å; Q120-F124 PolarHBondContact O-N 3.44Å; E121-F124 PolarHBondContact O-N 3.41Å; A122-F124 VanDerWaalsContact C-N 3.35Å; F124-F179 HydrophobicContact CD2-CD1 4.24Å; F124-F179 HydrophobicContact CE1-CB 4.42Å; F124-F179 VanDerWaalsContact CE1-O 3.26Å; F124-F179 WeakPolarHBondContact CE1-O 3.32Å; F124-F179 HydrophobicContact CE2-CB 4.33Å; F124-F179 AromaticContact CE2-CD1 3.62Å; F124-F179 HydrophobicContact CE2-CD1 3.62Å; F124-F179 HydrophobicContact CE2-CE1 4.45Å; F124-F179 HydrophobicContact CE2-CG 4.38Å; F124-F179 HydrophobicContact CZ-CB 4.16Å; F124-F179 HydrophobicContact CZ-CD1 4.08Å; F124-H184 AromaticContact CD1-CD2 3.55Å; F124-H184 AromaticContact CD1-NE2 3.31Å; F124-H184 VanDerWaalsContact CD1-NE2 3.31Å; F124-H184 WeakPolarHBondContact CD1-NE2 3.37Å; F124-H184 AromaticContact CE1-CD2 3.57Å; F124-H184 AromaticContact CE1-NE2 3.71Å
125	V	92.3	Very high	93.9	Very high	11 Å²	11	43.2 Å²	43.2	7%	0.067	23%	0.23	C	C	.	.	H	α-helix	trans	-74.4	-42.9	-178	171.2	0	0	0	0	113.6	E121 A122 L185 L188 L217	E121-V125 WeakPolarHBondContact O-CG2 3.31Å; E121-V125 PolarHBondContact O-N 3.39Å; A122-V125 PolarHBondContact O-N 2.92Å; V125-L185 HydrophobicContact CB-CD2 4.38Å; V125-L185 HydrophobicContact CG1-CD2 3.64Å; V125-L185 HydrophobicContact CG2-CD2 3.78Å; V125-L188 HydrophobicContact CG2-CD1 3.52Å; V125-L217 HydrophobicContact CG1-CD1 3.72Å
126	F	93.9	Very high	94.1	Very high	3 Å²	3	40.9 Å²	40.9	1%	0.013	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-29.7	-170.3	-63.9	-85.4	0	0	0	114	L98 A102 Y103 V106 A122 K128 L129 F195 F198 L213 L217	L98-F126 HydrophobicContact CD2-CE1 4.24Å; A102-F126 HydrophobicContact CB-CE1 4.27Å; Y103-F126 HydrophobicContact CD2-CB 3.42Å; Y103-F126 VanDerWaalsContact CD2-CB 3.42Å; Y103-F126 HydrophobicContact CD2-CD2 4.04Å; Y103-F126 AromaticContact CD2-CG 3.9Å; Y103-F126 HydrophobicContact CD2-CG 3.9Å; Y103-F126 HydrophobicContact CE2-CB 4Å; Y103-F126 HydrophobicContact CG-CB 3.71Å; Y103-F126 HydrophobicContact CG-CG 4.2Å; V106-F126 HydrophobicContact CB-CE2 4.36Å; V106-F126 HydrophobicContact CG1-CE2 4.35Å; V106-F126 HydrophobicContact CG2-CE2 3.91Å; V106-F126 HydrophobicContact CG2-CZ 4.2Å; A122-F126 WeakPolarHBondContact O-CB 3.24Å; A122-F126 PolarHBondContact O-N 3.28Å; F126-K128 PolarHBondContact O-N 2.93Å; F126-L129 HydrophobicContact CD1-CD1 4.21Å; F126-L129 VanDerWaalsContact O-CB 3.31Å; F126-L129 WeakPolarHBondContact O-CB 3.47Å; F126-L129 PolarHBondContact O-N 2.91Å; F126-F195 HydrophobicContact CE2-CE2 4.37Å; F126-F198 HydrophobicContact CZ-CE1 4.38Å; F126-L213 HydrophobicContact CE1-CD1 4.01Å; F126-L213 HydrophobicContact CZ-CD1 4.05Å; F126-L213 HydrophobicContact CZ-CD2 3.99Å; F126-L217 HydrophobicContact CD1-CD2 4.28Å; F126-L217 HydrophobicContact CE1-CD2 4.26Å
127	G	88.5	Confident	94.2	Very high	34 Å²	34	43.3 Å²	43.3	35%	0.351	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-24	-165	0	0	0	0	0	114.8	D123	D123-G127 VanDerWaalsContact O-CA 3.24Å; D123-G127 WeakPolarHBondContact O-CA 3.35Å; D123-G127 PolarHBondContact O-N 2.72Å
128	K	92.7	Very high	94.3	Very high	68 Å²	68	49 Å²	49	30%	0.296	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-8.8	176.7	-50.2	-53.9	-169.7	172.3	0	114.2	F126 N175 Y176 F179	F126-K128 PolarHBondContact O-N 2.93Å; K128-N175 VanDerWaalsContact CD-OD1 3.29Å; K128-N175 WeakPolarHBondContact CD-OD1 3.49Å; K128-N175 WeakPolarHBondContact CE-OD1 3.36Å; K128-Y176 HydrophobicContact CB-CD2 3.92Å; K128-F179 HydrophobicContact CD-CD2 4.5Å; K128-F179 HydrophobicContact CG-CD2 4.16Å
129	L	95.6	Very high	94.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.234	C	C	.	.	S	Bend	trans	-72.8	-28.5	179.7	-70.2	169.5	0	0	0	113.5	L95 L98 F126 A131 I132 Y133 Y176 L217 P220	L95-L129 HydrophobicContact CD2-CD2 4.22Å; L98-L129 HydrophobicContact CB-CD1 3.96Å; L98-L129 HydrophobicContact CD1-CD1 4.12Å; F126-L129 HydrophobicContact CD1-CD1 4.21Å; F126-L129 VanDerWaalsContact O-CB 3.31Å; F126-L129 WeakPolarHBondContact O-CB 3.47Å; F126-L129 PolarHBondContact O-N 2.91Å; L129-A131 PolarHBondContact O-N 3.32Å; L129-I132 PolarHBondContact O-N 3.34Å; L129-Y133 PolarHBondContact O-N 3.15Å; L129-Y176 HydrophobicContact CD1-CE2 4.47Å; L129-Y176 HydrophobicContact CD2-CD2 3.69Å; L129-Y176 HydrophobicContact CD2-CE1 4.34Å; L129-Y176 HydrophobicContact CD2-CE2 3.27Å; L129-Y176 HydrophobicContact CD2-CG 4.43Å; L129-Y176 HydrophobicContact CG-CD2 4.02Å; L129-Y176 HydrophobicContact CG-CE2 3.57Å; L129-L217 HydrophobicContact CD1-CD2 3.88Å; L129-P220 HydrophobicContact CD2-CG 3.76Å
130	G	95.6	Very high	94.6	Very high	23 Å²	23	41.6 Å²	41.6	24%	0.237	22%	0.215	C	C	.	.	H	α-helix	trans	-54.9	-47.5	-171.9	0	0	0	0	0	113.2	I132 Y133 E134	G130-I132 VanDerWaalsContact C-N 3.27Å; G130-I132 PolarHBondContact O-N 3.11Å; G130-Y133 WeakPolarHBondContact O-CB 3.33Å; G130-Y133 PolarHBondContact O-N 2.99Å; G130-Y133 VanDerWaalsContact O-N 3.12Å; G130-E134 WeakPolarHBondContact O-CG 3.47Å; G130-E134 PolarHBondContact O-N 3.38Å
131	A	96	Very high	94.8	Very high	52 Å²	52	38 Å²	38	43%	0.43	21%	0.206	S	C	.	.	H	α-helix	trans	-62.3	-30.4	177.7	0	0	0	0	0	113.5	L129 L135 A172	L129-A131 PolarHBondContact O-N 3.32Å; A131-L135 WeakPolarHBondContact O-CB 3.47Å; A131-L135 PolarHBondContact O-N 3.25Å; A131-L135 VanDerWaalsContact O-N 3.17Å; A131-A172 HydrophobicContact CB-CB 4.13Å
132	I	97.6	Very high	95	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-77.1	-38.3	175.6	-55.9	175.8	0	0	0	110.3	Y91 L95 L129 G130 H136 A172 Y173 Y176 P220	Y91-I132 HydrophobicContact CE1-CG2 4.49Å; Y91-I132 WeakPolarHBondContact OH-CG2 3.34Å; L95-I132 HydrophobicContact CD1-CG2 3.94Å; L129-I132 PolarHBondContact O-N 3.34Å; G130-I132 VanDerWaalsContact C-N 3.27Å; G130-I132 PolarHBondContact O-N 3.11Å; I132-H136 PolarHBondContact O-CD2 3.09Å; I132-H136 PolarHBondContact O-N 2.82Å; I132-H136 VanDerWaalsContact O-N 3.15Å; I132-A172 HydrophobicContact CG1-CB 3.8Å; I132-Y173 HydrophobicContact CD1-CD1 3.94Å; I132-Y173 HydrophobicContact CD1-CE1 4.23Å; I132-Y173 HydrophobicContact CD1-CG 4.16Å; I132-Y173 HydrophobicContact CG2-CE1 3.98Å; I132-Y173 HydrophobicContact CG2-CE2 3.92Å; I132-Y176 HydrophobicContact CD1-CD1 4.38Å; I132-Y176 HydrophobicContact CD1-CG 3.9Å; I132-P220 HydrophobicContact CD1-CB 4.02Å
133	Y	97.6	Very high	95.1	Very high	30 Å²	30	39.3 Å²	39.3	12%	0.118	21%	0.212	C	C	.	.	H	α-helix	trans	-61.9	-53.4	174	175.6	-124.3	0	0	0	111.3	V92 L95 R96 C99 L100 L129 G130 L135 H136 D137	V92-Y133 HydrophobicContact CG1-CD2 4.39Å; V92-Y133 HydrophobicContact CG1-CE2 3.9Å; L95-Y133 HydrophobicContact CB-CD2 3.8Å; L95-Y133 HydrophobicContact CB-CG 4.31Å; R96-Y133 HydrophobicContact CB-CD2 4.36Å; R96-Y133 HydrophobicContact CB-CE2 3.71Å; R96-Y133 HydrophobicContact CG-CE2 4.12Å; C99-Y133 HydrophobicContact CB-CD1 4.25Å; L100-Y133 HydrophobicContact CD1-CE1 4.25Å; L100-Y133 HydrophobicContact CD2-CE1 4.41Å; L100-Y133 HydrophobicContact CG-CE1 4.35Å; L129-Y133 PolarHBondContact O-N 3.15Å; G130-Y133 WeakPolarHBondContact O-CB 3.33Å; G130-Y133 PolarHBondContact O-N 2.99Å; G130-Y133 VanDerWaalsContact O-N 3.12Å; Y133-L135 VanDerWaalsContact C-N 3.3Å; Y133-L135 PolarHBondContact O-N 3.12Å; Y133-H136 PolarHBondContact O-N 2.96Å; Y133-D137 HydrophobicContact CD2-CB 4.18Å; Y133-D137 HydrophobicContact CE2-CB 3.71Å; Y133-D137 WeakPolarHBondContact CE2-OD1 3.38Å; Y133-D137 VanDerWaalsContact CZ-OD1 3.22Å; Y133-D137 WeakPolarHBondContact O-CB 3.34Å; Y133-D137 PolarHBondContact O-N 2.93Å; Y133-D137 PolarHBondContact OH-OD1 3.18Å
134	E	96.7	Very high	95.2	Very high	135 Å²	135	39.6 Å²	39.6	63%	0.631	21%	0.213	S	C	*	.	H	α-helix	trans	-57.3	-42.2	178.2	-70.5	168.8	-167.2	0	0	112.3	G130 H136 R138	G130-E134 WeakPolarHBondContact O-CG 3.47Å; G130-E134 PolarHBondContact O-N 3.38Å; E134-H136 PolarHBondContact O-N 3.42Å; E134-R138 WeakPolarHBondContact O-CB 3.42Å; E134-R138 PolarHBondContact O-N 2.84Å
135	L	96.5	Very high	95.5	Very high	8 Å²	8	44 Å²	44	4%	0.042	23%	0.234	C	C	.	.	H	α-helix	trans	-59.3	-45.7	177.5	179.5	60.9	0	0	0	112.6	A131 Y133 R138 L139 L165 E168 M169 A172	A131-L135 WeakPolarHBondContact O-CB 3.47Å; A131-L135 PolarHBondContact O-N 3.25Å; A131-L135 VanDerWaalsContact O-N 3.17Å; Y133-L135 VanDerWaalsContact C-N 3.3Å; Y133-L135 PolarHBondContact O-N 3.12Å; L135-R138 VanDerWaalsContact CD1-NH2 3.35Å; L135-L139 WeakPolarHBondContact O-CG 3.46Å; L135-L165 HydrophobicContact CD1-CD1 3.56Å; L135-L165 HydrophobicContact CG-CD1 4.4Å; L135-E168 HydrophobicContact CD1-CB 3.69Å; L135-E168 HydrophobicContact CD2-CB 4.39Å; L135-M169 HydrophobicContact CD2-CG 3.8Å; L135-A172 HydrophobicContact CD2-CB 4.17Å
136	H	97.1	Very high	95.7	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-86.5	-34	-174.8	-79.9	-102	0	0	0	113.5	E88 Y91 V92 L95 I132 Y133 E134 R138 L139 Q140 Y173	E88-H136 IonicContact OE1-CE1 2.73Å; E88-H136 IonicContact OE1-CG 3.71Å; E88-H136 IonicContact OE1-ND1 3.77Å; E88-H136 PolarHBondContact OE1-ND1 2.94Å; E88-H136 IonicContact OE2-CE1 3.7Å; E88-H136 IonicContact OE2-ND1 3.15Å; E88-H136 PolarHBondContact OE2-ND1 3.06Å; Y91-H136 AromaticContact CD1-ND1 3.87Å; Y91-H136 AromaticContact CE1-CE1 3.95Å; Y91-H136 AromaticContact CE1-CG 3.98Å; Y91-H136 AromaticContact CE1-ND1 3.8Å; V92-H136 HydrophobicContact CG2-CB 3.63Å; L95-H136 HydrophobicContact CD1-CB 4.46Å; I132-H136 PolarHBondContact O-CD2 3.09Å; I132-H136 PolarHBondContact O-N 2.82Å; I132-H136 VanDerWaalsContact O-N 3.15Å; Y133-H136 PolarHBondContact O-N 2.96Å; E134-H136 PolarHBondContact O-N 3.42Å; H136-R138 VanDerWaalsContact C-N 3.35Å; H136-L139 PolarHBondContact O-N 3.17Å; H136-Q140 PolarHBondContact O-N 3.46Å; H136-Y173 PolarHBondContact CE1-OH 3.17Å; H136-Y173 VanDerWaalsContact CE1-OH 3.29Å; H136-Y173 AromaticContact NE2-CE2 3.48Å; H136-Y173 WeakPolarHBondContact NE2-CE2 3.29Å; H136-Y173 AromaticContact NE2-CZ 3.54Å; H136-Y173 PolarHBondContact NE2-OH 2.79Å
137	D	97	Very high	95.8	Very high	61 Å²	61	47.1 Å²	47.1	33%	0.326	25%	0.249	S	C	.	.	H	α-helix	trans	-62.7	-41.8	174.3	-165	96.3	0	0	0	110.6	V92 Y133 L139 Q140 P141	V92-D137 HydrophobicContact CG1-CB 4.21Å; Y133-D137 HydrophobicContact CD2-CB 4.18Å; Y133-D137 HydrophobicContact CE2-CB 3.71Å; Y133-D137 WeakPolarHBondContact CE2-OD1 3.38Å; Y133-D137 VanDerWaalsContact CZ-OD1 3.22Å; Y133-D137 WeakPolarHBondContact O-CB 3.34Å; Y133-D137 PolarHBondContact O-N 2.93Å; Y133-D137 PolarHBondContact OH-OD1 3.18Å; D137-L139 PolarHBondContact O-N 3Å; D137-L139 VanDerWaalsContact O-N 3.11Å; D137-Q140 WeakPolarHBondContact O-CB 3.49Å; D137-Q140 PolarHBondContact O-N 3.49Å; D137-P141 WeakPolarHBondContact O-CD 3.37Å
138	R	96.3	Very high	96.1	Very high	123 Å²	123	52 Å²	52	46%	0.464	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-22.6	173.8	-174.4	-179.9	66	172.4	5.7	114.4	E134 L135 H136 E168	E134-R138 WeakPolarHBondContact O-CB 3.42Å; E134-R138 PolarHBondContact O-N 2.84Å; L135-R138 VanDerWaalsContact CD1-NH2 3.35Å; H136-R138 VanDerWaalsContact C-N 3.35Å; R138-E168 IonicContact CZ-OE1 3.44Å; R138-E168 IonicContact CZ-OE2 3.75Å; R138-E168 IonicContact NH1-OE1 3.8Å; R138-E168 IonicContact NH1-OE2 3.56Å; R138-E168 PolarHBondContact NH1-OE2 3.39Å; R138-E168 IonicContact NH2-OE1 2.92Å; R138-E168 PolarHBondContact NH2-OE1 3.21Å; R138-E168 IonicContact NH2-OE2 3.42Å; R138-E168 PolarHBondContact NH2-OE2 3.02Å
139	L	95.8	Very high	96.2	Very high	6 Å²	6	54.2 Å²	54.2	3%	0.031	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-21.2	176.9	-61.2	171.4	0	0	0	113	L135 H136 D137 Q142 F143 V160 L165	L135-L139 WeakPolarHBondContact O-CG 3.46Å; H136-L139 PolarHBondContact O-N 3.17Å; D137-L139 PolarHBondContact O-N 3Å; D137-L139 VanDerWaalsContact O-N 3.11Å; L139-Q142 PolarHBondContact O-N 3.39Å; L139-Q142 VanDerWaalsContact O-N 3.11Å; L139-F143 HydrophobicContact CB-CD2 4.03Å; L139-F143 HydrophobicContact CB-CE2 3.39Å; L139-F143 HydrophobicContact CB-CZ 3.79Å; L139-F143 HydrophobicContact CD1-CE2 4.22Å; L139-F143 HydrophobicContact CD1-CZ 4.08Å; L139-F143 HydrophobicContact CG-CE2 4.41Å; L139-F143 HydrophobicContact CG-CZ 4.44Å; L139-F143 WeakPolarHBondContact O-CD2 3.32Å; L139-F143 PolarHBondContact O-N 2.82Å; L139-F143 VanDerWaalsContact O-N 3.07Å; L139-V160 HydrophobicContact CD2-CG1 4.06Å; L139-L165 HydrophobicContact CD1-CD1 4.11Å; L139-L165 HydrophobicContact CD1-CD2 3.93Å; L139-L165 HydrophobicContact CD2-CD1 4.31Å
140	Q	96	Very high	96.1	Very high	25 Å²	25	56.2 Å²	56.2	12%	0.117	29%	0.29	C	S	.	.	H	α-helix	trans	-55.1	-43.9	-177	-64.8	-65.1	-49.6	0	0	113.9	R89 V92 H136 D137 Q142 F143 N144	R89-Q140 VanDerWaalsContact CG-OE1 3.22Å; V92-Q140 HydrophobicContact CB-CG 4.34Å; V92-Q140 HydrophobicContact CG1-CG 4.12Å; V92-Q140 HydrophobicContact CG2-CG 4.08Å; V92-Q140 VanDerWaalsContact CG2-NE2 3.27Å; H136-Q140 PolarHBondContact O-N 3.46Å; D137-Q140 WeakPolarHBondContact O-CB 3.49Å; D137-Q140 PolarHBondContact O-N 3.49Å; Q140-Q142 VanDerWaalsContact C-N 3.3Å; Q140-Q142 PolarHBondContact O-N 3.08Å; Q140-F143 PolarHBondContact O-N 2.94Å; Q140-N144 WeakPolarHBondContact O-CB 3.27Å; Q140-N144 PolarHBondContact O-N 3.37Å; Q140-N144 PolarHBondContact O-ND2 3.13Å; Q140-N144 VanDerWaalsContact O-ND2 3.12Å
141	P	96.6	Very high	96	Very high	83 Å²	83	56.7 Å²	56.7	54%	0.539	29%	0.289	S	S	.	.	H	α-helix	trans	-60.8	-40	178	-23.2	34.9	0	0	0	112.5	D137 N144 E145	D137-P141 WeakPolarHBondContact O-CD 3.37Å; P141-N144 PolarHBondContact O-N 3.24Å; P141-E145 WeakPolarHBondContact O-CB 3.23Å; P141-E145 PolarHBondContact O-N 3.49Å
142	Q	96.1	Very high	95.8	Very high	73 Å²	73	56.4 Å²	56.4	34%	0.341	28%	0.28	S	S	.	.	H	α-helix	trans	-70.5	-38.5	-177.9	-59.2	178.6	54	0	0	111.7	L139 Q140 E145 L146 V160	L139-Q142 PolarHBondContact O-N 3.39Å; L139-Q142 VanDerWaalsContact O-N 3.11Å; Q140-Q142 VanDerWaalsContact C-N 3.3Å; Q140-Q142 PolarHBondContact O-N 3.08Å; Q142-E145 PolarHBondContact O-N 3.33Å; Q142-L146 VanDerWaalsContact O-CB 3.28Å; Q142-L146 WeakPolarHBondContact O-CB 3.32Å; Q142-L146 PolarHBondContact O-N 3.38Å; Q142-V160 HydrophobicContact CB-CB 4.47Å; Q142-V160 HydrophobicContact CB-CG1 3.74Å; Q142-V160 HydrophobicContact CB-CG2 3.89Å
143	F	96.2	Very high	95.4	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.009	30%	0.302	C	S	.	.	H	α-helix	trans	-66.5	-38.9	172.1	-61	-40.4	0	0	0	112.2	F84 F85 E88 L139 Q140 L146 E147 L157 V160 L161	F84-F143 HydrophobicContact CE1-CD1 4.41Å; F84-F143 AromaticContact CE1-CE1 3.76Å; F84-F143 HydrophobicContact CE1-CE1 3.76Å; F84-F143 HydrophobicContact CE1-CE2 4.33Å; F84-F143 AromaticContact CE1-CZ 3.71Å; F84-F143 HydrophobicContact CE1-CZ 3.71Å; F84-F143 HydrophobicContact CZ-CE1 4.47Å; F84-F143 HydrophobicContact CZ-CZ 4.04Å; F85-F143 HydrophobicContact CD1-CB 3.79Å; F85-F143 AromaticContact CD1-CD1 3.77Å; F85-F143 HydrophobicContact CD1-CD1 3.77Å; F85-F143 AromaticContact CD1-CG 3.82Å; F85-F143 HydrophobicContact CD1-CG 3.82Å; F85-F143 HydrophobicContact CE1-CB 3.99Å; F85-F143 AromaticContact CE1-CD1 3.42Å; F85-F143 HydrophobicContact CE1-CD1 3.42Å; F85-F143 VanDerWaalsContact CE1-CD1 3.42Å; F85-F143 HydrophobicContact CE1-CE1 4.17Å; F85-F143 AromaticContact CE1-CG 3.92Å; F85-F143 HydrophobicContact CE1-CG 3.92Å; F85-F143 HydrophobicContact CG-CB 4.34Å; F85-F143 HydrophobicContact CZ-CD1 4.4Å; E88-F143 HydrophobicContact CG-CD2 3.89Å; E88-F143 HydrophobicContact CG-CE2 3.5Å; E88-F143 VanDerWaalsContact CG-CE2 3.5Å; E88-F143 HydrophobicContact CG-CZ 4.42Å; L139-F143 HydrophobicContact CB-CD2 4.03Å; L139-F143 HydrophobicContact CB-CE2 3.39Å; L139-F143 HydrophobicContact CB-CZ 3.79Å; L139-F143 HydrophobicContact CD1-CE2 4.22Å; L139-F143 HydrophobicContact CD1-CZ 4.08Å; L139-F143 HydrophobicContact CG-CE2 4.41Å; L139-F143 HydrophobicContact CG-CZ 4.44Å; L139-F143 WeakPolarHBondContact O-CD2 3.32Å; L139-F143 PolarHBondContact O-N 2.82Å; L139-F143 VanDerWaalsContact O-N 3.07Å; Q140-F143 PolarHBondContact O-N 2.94Å; F143-L146 PolarHBondContact O-N 3.41Å; F143-E147 WeakPolarHBondContact O-CB 3.24Å; F143-E147 PolarHBondContact O-N 2.87Å; F143-L157 HydrophobicContact CD1-CD1 4.42Å; F143-L157 HydrophobicContact CE1-CD1 4.13Å; F143-V160 HydrophobicContact CD1-CG1 3.87Å; F143-V160 HydrophobicContact CE1-CB 4.19Å; F143-V160 HydrophobicContact CE1-CG1 3.43Å; F143-V160 VanDerWaalsContact CE1-CG1 3.43Å; F143-V160 HydrophobicContact CZ-CG1 4.08Å; F143-L161 HydrophobicContact CE1-CD2 4.17Å; F143-L161 HydrophobicContact CZ-CD2 3.97Å
144	N	95.9	Very high	95.1	Very high	58 Å²	58	64.9 Å²	64.9	31%	0.31	33%	0.328	S	S	.	.	H	α-helix	trans	-65.7	-41.7	175.7	-65.6	-26.4	0	0	0	111.8	R89 Q140 P141 E147 N148	R89-N144 PolarHBondContact NE-OD1 2.83Å; R89-N144 VanDerWaalsContact NE-OD1 3.15Å; R89-N144 PolarHBondContact NH2-OD1 3.18Å; Q140-N144 WeakPolarHBondContact O-CB 3.27Å; Q140-N144 PolarHBondContact O-N 3.37Å; Q140-N144 PolarHBondContact O-ND2 3.13Å; Q140-N144 VanDerWaalsContact O-ND2 3.12Å; P141-N144 PolarHBondContact O-N 3.24Å; N144-E147 PolarHBondContact O-N 3.36Å; N144-N148 WeakPolarHBondContact O-CB 3.49Å; N144-N148 PolarHBondContact O-N 2.95Å; N144-N148 PolarHBondContact O-ND2 2.99Å; N144-N148 VanDerWaalsContact O-ND2 3.13Å
145	E	96.1	Very high	95.1	Very high	127 Å²	127	59 Å²	59	59%	0.593	30%	0.302	S	S	*	.	H	α-helix	trans	-63.4	-42.2	175	-175.1	174.8	-171.1	0	0	112.1	P141 Q142 N149	P141-E145 WeakPolarHBondContact O-CB 3.23Å; P141-E145 PolarHBondContact O-N 3.49Å; Q142-E145 PolarHBondContact O-N 3.33Å; E145-N149 WeakPolarHBondContact O-CB 3.38Å; E145-N149 PolarHBondContact O-N 3.14Å; E145-N149 VanDerWaalsContact O-N 3.09Å; E145-N149 PolarHBondContact O-ND2 3.29Å
146	L	95.6	Very high	95	Very high	24 Å²	24	59.2 Å²	59.2	13%	0.126	30%	0.304	C	S	.	.	H	α-helix	trans	-70.2	-32.8	179	-174.2	57.1	0	0	0	113	F85 Q142 F143 W150 L157 V160	F85-L146 HydrophobicContact CZ-CB 4.37Å; F85-L146 HydrophobicContact CZ-CD2 3.91Å; F85-L146 HydrophobicContact CZ-CG 4.13Å; Q142-L146 VanDerWaalsContact O-CB 3.28Å; Q142-L146 WeakPolarHBondContact O-CB 3.32Å; Q142-L146 PolarHBondContact O-N 3.38Å; F143-L146 PolarHBondContact O-N 3.41Å; L146-W150 HydrophobicContact CD1-CZ3 4.41Å; L146-W150 HydrophobicContact CG-CE3 4.37Å; L146-W150 HydrophobicContact CG-CZ3 4.21Å; L146-L157 HydrophobicContact CD2-CD1 4.11Å; L146-V160 HydrophobicContact CD2-CG2 4.26Å
147	E	95.5	Very high	94.9	Very high	56 Å²	56	59.2 Å²	59.2	26%	0.262	30%	0.304	S	S	.	.	H	α-helix	trans	-74.5	-40.9	174.1	-171.3	171.2	151.4	0	0	112.3	F82 F85 R89 F143 N144 N149 W150	F82-E147 HydrophobicContact CD1-CG 4.34Å; F82-E147 HydrophobicContact CE1-CG 3.94Å; F82-E147 HydrophobicContact CE2-CG 4.48Å; F82-E147 HydrophobicContact CZ-CG 4Å; F85-E147 HydrophobicContact CD2-CB 3.96Å; F85-E147 HydrophobicContact CD2-CG 4.26Å; F85-E147 VanDerWaalsContact CD2-OE2 3.26Å; F85-E147 WeakPolarHBondContact CD2-OE2 3.24Å; F85-E147 HydrophobicContact CE2-CB 3.98Å; R89-E147 IonicContact CZ-OE2 3.38Å; R89-E147 IonicContact NH1-OE1 3.66Å; R89-E147 PolarHBondContact NH1-OE1 2.91Å; R89-E147 IonicContact NH1-OE2 2.7Å; R89-E147 PolarHBondContact NH1-OE2 3.18Å; R89-E147 IonicContact NH2-OE2 2.91Å; R89-E147 PolarHBondContact NH2-OE2 2.56Å; F143-E147 WeakPolarHBondContact O-CB 3.24Å; F143-E147 PolarHBondContact O-N 2.87Å; N144-E147 PolarHBondContact O-N 3.36Å; E147-N149 VanDerWaalsContact C-N 3.33Å; E147-N149 PolarHBondContact O-N 3.06Å; E147-W150 WeakPolarHBondContact O-CB 3.29Å
148	N	95.3	Very high	94.7	Very high	137 Å²	137	56.7 Å²	56.7	73%	0.733	29%	0.293	S	S	*	.	H	α-helix	trans	-65.3	-35.1	177.4	-73.3	-25.3	0	0	0	112.7	N144	N144-N148 WeakPolarHBondContact O-CB 3.49Å; N144-N148 PolarHBondContact O-N 2.95Å; N144-N148 PolarHBondContact O-ND2 2.99Å; N144-N148 VanDerWaalsContact O-ND2 3.13Å
149	N	94.4	Very high	94.5	Very high	114 Å²	114	56.1 Å²	56.1	61%	0.61	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	36.3	-178.9	-59.2	-65.8	0	0	0	112.3	E145 E147 S151 S155	E145-N149 WeakPolarHBondContact O-CB 3.38Å; E145-N149 PolarHBondContact O-N 3.14Å; E145-N149 VanDerWaalsContact O-N 3.09Å; E145-N149 PolarHBondContact O-ND2 3.29Å; E147-N149 VanDerWaalsContact C-N 3.33Å; E147-N149 PolarHBondContact O-N 3.06Å; N149-S151 PolarHBondContact O-N 3.26Å; N149-S155 PolarHBondContact O-OG 3.37Å
150	W	94.4	Very high	94.4	Very high	43 Å²	43	56.7 Å²	56.7	16%	0.163	30%	0.302	C	S	.	.			trans	-72.9	124.7	-170.3	-173.6	-92.6	0	0	0	114.6	Q78 I81 F82 L146 E147 S155	Q78-W150 HydrophobicContact CB-CZ2 4.11Å; Q78-W150 HydrophobicContact CG-CZ2 4.3Å; Q78-W150 VanDerWaalsContact NE2-CD1 3.28Å; I81-W150 HydrophobicContact CB-CH2 4.25Å; I81-W150 HydrophobicContact CD1-CH2 3.52Å; I81-W150 HydrophobicContact CD1-CZ2 4.27Å; I81-W150 HydrophobicContact CD1-CZ3 4.35Å; I81-W150 HydrophobicContact CG1-CH2 4.46Å; I81-W150 HydrophobicContact CG2-CH2 3.94Å; I81-W150 HydrophobicContact CG2-CZ3 3.82Å; F82-W150 HydrophobicContact CE1-CB 4.22Å; F82-W150 AromaticContact CE1-CD2 3.61Å; F82-W150 HydrophobicContact CE1-CD2 3.61Å; F82-W150 AromaticContact CE1-CE3 3.76Å; F82-W150 HydrophobicContact CE1-CE3 3.76Å; F82-W150 AromaticContact CE1-CG 3.78Å; F82-W150 HydrophobicContact CE1-CG 3.78Å; F82-W150 HydrophobicContact CZ-CB 3.87Å; F82-W150 AromaticContact CZ-CD2 3.99Å; F82-W150 HydrophobicContact CZ-CD2 3.99Å; F82-W150 AromaticContact CZ-CG 3.63Å; F82-W150 HydrophobicContact CZ-CG 3.63Å; L146-W150 HydrophobicContact CD1-CZ3 4.41Å; L146-W150 HydrophobicContact CG-CE3 4.37Å; L146-W150 HydrophobicContact CG-CZ3 4.21Å; E147-W150 WeakPolarHBondContact O-CB 3.29Å; W150-S155 VanDerWaalsContact CZ3-CB 3.46Å
151	S	93.5	Very high	94.3	Very high	33 Å²	33	55.8 Å²	55.8	23%	0.231	30%	0.299	C	S	.	.			trans	-122.3	132.3	173.3	172.3	0	0	0	0	110.7	N149 S153 E154 S155	N149-S151 PolarHBondContact O-N 3.26Å; S151-S153 PolarHBondContact O-N 2.93Å; S151-S153 PolarHBondContact OG-OG 3.17Å; S151-E154 PolarHBondContact OG-N 3.3Å; S151-S155 PolarHBondContact N-OG 3.17Å; S151-S155 WeakPolarHBondContact O-CB 3.38Å; S151-S155 PolarHBondContact O-N 2.91Å; S151-S155 PolarHBondContact O-OG 2.98Å
152	L	92	Very high	94.1	Very high	45 Å²	45	57 Å²	57	24%	0.236	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-25.9	-179.4	-78.4	167.9	0	0	0	113.8	L74 E75 Q78	L74-L152 HydrophobicContact CB-CD2 4.1Å; E75-L152 HydrophobicContact CG-CD1 4.42Å; E75-L152 HydrophobicContact CG-CD2 4.29Å; Q78-L152 HydrophobicContact CB-CD2 4.14Å
153	S	89.7	Confident	93.9	Very high	65 Å²	65	58.7 Å²	58.7	46%	0.455	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-25	-174.7	46.1	0	0	0	0	114.4	S151 H242	S151-S153 PolarHBondContact O-N 2.93Å; S151-S153 PolarHBondContact OG-OG 3.17Å; S153-H242 PolarHBondContact O-CD2 2.84Å; S153-H242 PolarHBondContact O-NE2 3.44Å
154	E	91.5	Very high	93.8	Very high	143 Å²	143	61.8 Å²	61.8	67%	0.668	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.2	-27	-164.9	-69.7	167.8	-171.6	0	0	114.3	S151 C156	S151-E154 PolarHBondContact OG-N 3.3Å; E154-C156 PolarHBondContact O-N 3.14Å; E154-C156 PolarHBondContact O-SG 3.46Å
155	S	95.1	Very high	93.8	Very high	11 Å²	11	59.4 Å²	59.4	8%	0.077	32%	0.317	C	S	.	.			trans	-67.3	110.4	-176.8	-68.2	0	0	0	0	111.4	R77 N149 W150 S151	R77-S155 PolarHBondContact NH1-O 2.97Å; R77-S155 PolarHBondContact NH2-O 3.13Å; N149-S155 PolarHBondContact O-OG 3.37Å; W150-S155 VanDerWaalsContact CZ3-CB 3.46Å; S151-S155 PolarHBondContact N-OG 3.17Å; S151-S155 WeakPolarHBondContact O-CB 3.38Å; S151-S155 PolarHBondContact O-N 2.91Å; S151-S155 PolarHBondContact O-OG 2.98Å
156	C	95.2	Very high	93.8	Very high	14 Å²	14	54 Å²	54	10%	0.095	29%	0.292	C	S	.	.			trans	-100	120	-178.9	-62.2	0	0	0	0	111.7	E154 D244	E154-C156 PolarHBondContact O-N 3.14Å; E154-C156 PolarHBondContact O-SG 3.46Å; C156-D244 VanDerWaalsContact CA-CG 3.47Å; C156-D244 WeakPolarHBondContact CA-OD1 3.48Å; C156-D244 HydrophobicContact CB-CB 3.97Å; C156-D244 WeakPolarHBondContact CB-OD1 3.33Å
157	L	94.9	Very high	93.8	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-73.9	-31.5	175.7	-178.8	60.7	0	0	0	111.8	I81 F84 F85 F143 L146 N159 V160 L161 M231 I234 D244 V248	I81-L157 HydrophobicContact CD1-CB 4.5Å; I81-L157 HydrophobicContact CG1-CD2 4.26Å; F84-L157 HydrophobicContact CD1-CD2 4.47Å; F84-L157 HydrophobicContact CE1-CD1 4.38Å; F85-L157 HydrophobicContact CE1-CD1 3.74Å; F85-L157 HydrophobicContact CZ-CD1 4.17Å; F143-L157 HydrophobicContact CD1-CD1 4.42Å; F143-L157 HydrophobicContact CE1-CD1 4.13Å; L146-L157 HydrophobicContact CD2-CD1 4.11Å; L157-N159 PolarHBondContact O-N 3.01Å; L157-V160 PolarHBondContact O-N 3.39Å; L157-L161 HydrophobicContact CD1-CD1 4.12Å; L157-L161 HydrophobicContact CD1-CG 4.16Å; L157-L161 HydrophobicContact CD2-CD1 3.83Å; L157-L161 HydrophobicContact CG-CD1 3.76Å; L157-L161 HydrophobicContact CG-CG 4.07Å; L157-L161 PolarHBondContact O-N 2.97Å; L157-M231 HydrophobicContact CD2-CE 3.98Å; L157-M231 HydrophobicContact CD2-SD 4.15Å; L157-I234 HydrophobicContact CD2-CD1 3.91Å; L157-D244 PolarHBondContact N-OD1 3.4Å; L157-D244 PolarHBondContact N-OD2 2.95Å; L157-V248 HydrophobicContact CB-CG2 4.44Å
158	G	92	Very high	93.9	Very high	9 Å²	9	57.1 Å²	57.1	9%	0.093	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-65.2	-15	178.1	0	0	0	0	0	114.9	V160 L161 D244	G158-V160 PolarHBondContact O-N 3.11Å; G158-L161 CarbonylContact O-C 3.58Å; G158-D244 PolarHBondContact N-OD1 3.04Å
159	N	92.6	Very high	93.9	Very high	111 Å²	111	50.7 Å²	50.7	59%	0.594	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-66.1	-29.7	170.1	-68.9	2.9	0	0	0	111.7	L157 Q162	L157-N159 PolarHBondContact O-N 3.01Å; N159-Q162 WeakPolarHBondContact O-CG 3.31Å; N159-Q162 PolarHBondContact O-NE2 3.29Å
160	V	93.6	Very high	94	Very high	17 Å²	17	46.2 Å²	46.2	10%	0.103	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-46.1	177.4	-176.8	0	0	0	0	110.4	L139 Q142 F143 L146 L157 G158 Q162	L139-V160 HydrophobicContact CD2-CG1 4.06Å; Q142-V160 HydrophobicContact CB-CB 4.47Å; Q142-V160 HydrophobicContact CB-CG1 3.74Å; Q142-V160 HydrophobicContact CB-CG2 3.89Å; F143-V160 HydrophobicContact CD1-CG1 3.87Å; F143-V160 HydrophobicContact CE1-CB 4.19Å; F143-V160 HydrophobicContact CE1-CG1 3.43Å; F143-V160 VanDerWaalsContact CE1-CG1 3.43Å; F143-V160 HydrophobicContact CZ-CG1 4.08Å; L146-V160 HydrophobicContact CD2-CG2 4.26Å; L157-V160 PolarHBondContact O-N 3.39Å; G158-V160 PolarHBondContact O-N 3.11Å; V160-Q162 PolarHBondContact O-N 3.41Å
161	L	94.2	Very high	94.1	Very high	7 Å²	7	52 Å²	52	4%	0.037	28%	0.276	C	S	.	.	S	Bend	trans	-85.4	63.7	176	-60.7	-173.5	0	0	0	111.1	F84 F143 L157 G158 L165 M231 F251	F84-L161 HydrophobicContact CE1-CD1 4.18Å; F84-L161 HydrophobicContact CZ-CD1 3.97Å; F84-L161 HydrophobicContact CZ-CD2 4.33Å; F143-L161 HydrophobicContact CE1-CD2 4.17Å; F143-L161 HydrophobicContact CZ-CD2 3.97Å; L157-L161 HydrophobicContact CD1-CD1 4.12Å; L157-L161 HydrophobicContact CD1-CG 4.16Å; L157-L161 HydrophobicContact CD2-CD1 3.83Å; L157-L161 HydrophobicContact CG-CD1 3.76Å; L157-L161 HydrophobicContact CG-CG 4.07Å; L157-L161 PolarHBondContact O-N 2.97Å; G158-L161 CarbonylContact O-C 3.58Å; L161-L165 HydrophobicContact CD2-CD2 3.65Å; L161-M231 HydrophobicContact CD1-CE 3.69Å; L161-M231 HydrophobicContact CD1-SD 3.65Å; L161-F251 HydrophobicContact CB-CD1 4.3Å; L161-F251 HydrophobicContact CB-CD2 3.98Å; L161-F251 HydrophobicContact CB-CE1 4.25Å; L161-F251 HydrophobicContact CB-CE2 3.92Å; L161-F251 HydrophobicContact CB-CG 4.18Å; L161-F251 HydrophobicContact CB-CZ 4.06Å; L161-F251 HydrophobicContact CD1-CD1 4.26Å; L161-F251 HydrophobicContact CD1-CE1 3.97Å; L161-F251 HydrophobicContact CD1-CZ 4.36Å; L161-F251 HydrophobicContact CD2-CZ 4.26Å; L161-F251 HydrophobicContact CG-CZ 4.46Å; L161-F251 WeakPolarHBondContact O-CD2 3.2Å
162	Q	92	Very high	94.2	Very high	108 Å²	108	50.9 Å²	50.9	51%	0.505	27%	0.268	S	S	.	.			trans	-71.5	152.1	177.8	-59.1	-178.7	13.7	0	0	111.3	N159 V160 S164 L165	N159-Q162 WeakPolarHBondContact O-CG 3.31Å; N159-Q162 PolarHBondContact O-NE2 3.29Å; V160-Q162 PolarHBondContact O-N 3.41Å; Q162-S164 PolarHBondContact O-N 3.33Å; Q162-L165 WeakPolarHBondContact O-CB 3.4Å; Q162-L165 PolarHBondContact O-N 3.27Å
163	L	93.2	Very high	94.4	Very high	108 Å²	108	48.8 Å²	48.8	57%	0.565	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-29.7	-176.1	-159.8	75.6	0	0	0	113.2	L165 L166	L163-L165 PolarHBondContact O-N 3.03Å; L163-L166 HydrophobicContact CD1-CD1 3.67Å; L163-L166 HydrophobicContact CG-CD1 4.31Å; L163-L166 WeakPolarHBondContact O-CB 3.48Å; L163-L166 PolarHBondContact O-N 2.93Å; L163-L166 VanDerWaalsContact O-N 3.13Å
164	S	94.1	Very high	94.5	Very high	68 Å²	68	45.7 Å²	45.7	48%	0.476	24%	0.236	S	C	.	.	H	α-helix	trans	-56.5	-30.3	172.8	46	0	0	0	0	113.7	Q162 L166 T167 E168	Q162-S164 PolarHBondContact O-N 3.33Å; S164-L166 PolarHBondContact O-N 3Å; S164-T167 WeakPolarHBondContact O-CB 3.47Å; S164-T167 PolarHBondContact O-N 2.74Å; S164-T167 VanDerWaalsContact O-N 3.13Å; S164-E168 PolarHBondContact O-N 3.13Å
165	L	95.5	Very high	94.5	Very high	7 Å²	7	42 Å²	42	4%	0.037	22%	0.221	C	C	.	.	H	α-helix	trans	-61.8	-30.7	178.1	-172.2	68.8	0	0	0	111.9	L135 L139 L161 Q162 L163 T167 E168 M169 F251	L135-L165 HydrophobicContact CD1-CD1 3.56Å; L135-L165 HydrophobicContact CG-CD1 4.4Å; L139-L165 HydrophobicContact CD1-CD1 4.11Å; L139-L165 HydrophobicContact CD1-CD2 3.93Å; L139-L165 HydrophobicContact CD2-CD1 4.31Å; L161-L165 HydrophobicContact CD2-CD2 3.65Å; Q162-L165 WeakPolarHBondContact O-CB 3.4Å; Q162-L165 PolarHBondContact O-N 3.27Å; L163-L165 PolarHBondContact O-N 3.03Å; L165-T167 VanDerWaalsContact C-N 3.3Å; L165-T167 PolarHBondContact O-N 3.12Å; L165-E168 PolarHBondContact O-N 2.67Å; L165-M169 HydrophobicContact CD2-CE 3.87Å; L165-M169 HydrophobicContact CG-CE 4.01Å; L165-M169 WeakPolarHBondContact O-CG 3.36Å; L165-M169 PolarHBondContact O-N 2.84Å; L165-F251 HydrophobicContact CB-CE2 4.41Å; L165-F251 HydrophobicContact CD2-CE2 4.24Å; L165-F251 HydrophobicContact CD2-CZ 4.26Å
166	L	96.2	Very high	94.5	Very high	15 Å²	15	41.8 Å²	41.8	8%	0.079	22%	0.218	C	C	.	.	H	α-helix	trans	-64.9	-34.9	177.2	-59.8	176.2	0	0	0	111.8	L163 S164 E168 M169 D170 F251 I255 L258	L163-L166 HydrophobicContact CD1-CD1 3.67Å; L163-L166 HydrophobicContact CG-CD1 4.31Å; L163-L166 WeakPolarHBondContact O-CB 3.48Å; L163-L166 PolarHBondContact O-N 2.93Å; L163-L166 VanDerWaalsContact O-N 3.13Å; S164-L166 PolarHBondContact O-N 3Å; L166-E168 VanDerWaalsContact C-N 3.35Å; L166-M169 HydrophobicContact CD2-SD 4.36Å; L166-M169 PolarHBondContact O-N 3Å; L166-D170 WeakPolarHBondContact O-CB 3.35Å; L166-D170 PolarHBondContact O-N 3.18Å; L166-F251 HydrophobicContact CD1-CD2 4.46Å; L166-F251 HydrophobicContact CD2-CD2 4.16Å; L166-F251 HydrophobicContact CD2-CE1 4.43Å; L166-F251 HydrophobicContact CD2-CE2 3.6Å; L166-F251 HydrophobicContact CD2-CZ 3.76Å; L166-F251 HydrophobicContact CG-CD2 4.21Å; L166-F251 HydrophobicContact CG-CE2 3.9Å; L166-I255 HydrophobicContact CD2-CB 3.97Å; L166-I255 HydrophobicContact CD2-CG1 4.39Å; L166-L258 HydrophobicContact CB-CD2 4.39Å; L166-L258 HydrophobicContact CD2-CD2 4.17Å
167	T	95.8	Very high	94.5	Very high	86 Å²	86	42 Å²	42	53%	0.528	22%	0.218	S	C	.	.	H	α-helix	trans	-72.2	-28	175.6	-49.4	0	0	0	0	112.3	S164 L165 R171	S164-T167 WeakPolarHBondContact O-CB 3.47Å; S164-T167 PolarHBondContact O-N 2.74Å; S164-T167 VanDerWaalsContact O-N 3.13Å; L165-T167 VanDerWaalsContact C-N 3.3Å; L165-T167 PolarHBondContact O-N 3.12Å; T167-R171 PolarHBondContact O-NE 2.95Å
168	E	95.9	Very high	94.2	Very high	59 Å²	59	45.5 Å²	45.5	28%	0.276	23%	0.234	S	C	.	.	H	α-helix	trans	-74.7	-40.3	168.8	-66.6	-174.9	-79.1	0	0	111.3	L135 R138 S164 L165 L166 R171 A172	L135-E168 HydrophobicContact CD1-CB 3.69Å; L135-E168 HydrophobicContact CD2-CB 4.39Å; R138-E168 IonicContact CZ-OE1 3.44Å; R138-E168 IonicContact CZ-OE2 3.75Å; R138-E168 IonicContact NH1-OE1 3.8Å; R138-E168 IonicContact NH1-OE2 3.56Å; R138-E168 PolarHBondContact NH1-OE2 3.39Å; R138-E168 IonicContact NH2-OE1 2.92Å; R138-E168 PolarHBondContact NH2-OE1 3.21Å; R138-E168 IonicContact NH2-OE2 3.42Å; R138-E168 PolarHBondContact NH2-OE2 3.02Å; S164-E168 PolarHBondContact O-N 3.13Å; L165-E168 PolarHBondContact O-N 2.67Å; L166-E168 VanDerWaalsContact C-N 3.35Å; E168-R171 PolarHBondContact O-N 2.85Å; E168-A172 WeakPolarHBondContact O-CB 3.44Å; E168-A172 PolarHBondContact O-N 3.21Å
169	M	96.6	Very high	94	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-62.1	-42	174.2	-71.7	178.1	170.9	0	0	112.7	L135 L165 L166 R171 A172 Y173 L224 I227 L258	L135-M169 HydrophobicContact CD2-CG 3.8Å; L165-M169 HydrophobicContact CD2-CE 3.87Å; L165-M169 HydrophobicContact CG-CE 4.01Å; L165-M169 WeakPolarHBondContact O-CG 3.36Å; L165-M169 PolarHBondContact O-N 2.84Å; L166-M169 HydrophobicContact CD2-SD 4.36Å; L166-M169 PolarHBondContact O-N 3Å; M169-R171 VanDerWaalsContact C-N 3.29Å; M169-R171 PolarHBondContact O-N 2.86Å; M169-A172 PolarHBondContact O-N 3.11Å; M169-Y173 HydrophobicContact CB-CD2 4.02Å; M169-Y173 HydrophobicContact CB-CE2 4.45Å; M169-Y173 HydrophobicContact CG-CD2 4.2Å; M169-Y173 HydrophobicContact CG-CE2 4.13Å; M169-Y173 WeakPolarHBondContact O-CB 3.38Å; M169-Y173 PolarHBondContact O-N 3.11Å; M169-L224 HydrophobicContact CB-CD2 4.43Å; M169-L224 HydrophobicContact CE-CD2 4.46Å; M169-L224 HydrophobicContact CG-CD2 4.3Å; M169-L224 HydrophobicContact SD-CD2 3.7Å; M169-I227 HydrophobicContact CE-CD1 4.39Å; M169-L258 HydrophobicContact CB-CD2 3.75Å
170	D	96.3	Very high	94	Very high	19 Å²	19	42.2 Å²	42.2	10%	0.102	21%	0.212	C	C	.	.	H	α-helix	trans	-59.2	-38.1	178.6	-167.1	29	0	0	0	113.2	L166 G174 L258 K261 R265	L166-D170 WeakPolarHBondContact O-CB 3.35Å; L166-D170 PolarHBondContact O-N 3.18Å; D170-G174 WeakPolarHBondContact O-CA 3.45Å; D170-G174 PolarHBondContact O-N 3.4Å; D170-L258 HydrophobicContact CB-CD1 3.44Å; D170-L258 VanDerWaalsContact CB-CD1 3.44Å; D170-L258 WeakPolarHBondContact OD1-CD1 3.29Å; D170-K261 WeakPolarHBondContact OD2-CE 3.16Å; D170-K261 IonicContact OD2-NZ 2.73Å; D170-K261 PolarHBondContact OD2-NZ 2.68Å; D170-R265 PolarHBondContact O-NH1 3.03Å; D170-R265 IonicContact OD1-CZ 3.74Å; D170-R265 IonicContact OD1-NH1 3.12Å; D170-R265 PolarHBondContact OD1-NH1 2.86Å
171	R	95.6	Very high	93.7	Very high	166 Å²	166	41.8 Å²	41.8	63%	0.626	21%	0.21	S	C	*	.	H	α-helix	trans	-75.3	-48.3	176.3	-67.8	-176.3	-68.2	170.1	3.4	111.4	T167 E168 M169 N175	T167-R171 PolarHBondContact O-NE 2.95Å; E168-R171 PolarHBondContact O-N 2.85Å; M169-R171 VanDerWaalsContact C-N 3.29Å; M169-R171 PolarHBondContact O-N 2.86Å; R171-N175 VanDerWaalsContact O-CB 3.23Å; R171-N175 WeakPolarHBondContact O-CB 3.23Å; R171-N175 PolarHBondContact O-N 3.32Å
172	A	95.9	Very high	93.4	Very high	9 Å²	9	43.8 Å²	43.8	7%	0.074	22%	0.223	C	C	.	.	H	α-helix	trans	-71.6	-55.5	-176.2	0	0	0	0	0	112.9	A131 I132 L135 E168 M169 Y176	A131-A172 HydrophobicContact CB-CB 4.13Å; I132-A172 HydrophobicContact CG1-CB 3.8Å; L135-A172 HydrophobicContact CD2-CB 4.17Å; E168-A172 WeakPolarHBondContact O-CB 3.44Å; E168-A172 PolarHBondContact O-N 3.21Å; M169-A172 PolarHBondContact O-N 3.11Å; A172-Y176 PolarHBondContact O-N 3.22Å
173	Y	96.9	Very high	93.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-71	-40	179.9	-74.9	-90.8	0	0	0	112.4	Y91 I132 H136 M169 N175 Y176 M177 P220 R223 L224	Y91-Y173 WeakPolarHBondContact CE1-OH 3.35Å; Y91-Y173 PolarHBondContact OH-OH 2.88Å; I132-Y173 HydrophobicContact CD1-CD1 3.94Å; I132-Y173 HydrophobicContact CD1-CE1 4.23Å; I132-Y173 HydrophobicContact CD1-CG 4.16Å; I132-Y173 HydrophobicContact CG2-CE1 3.98Å; I132-Y173 HydrophobicContact CG2-CE2 3.92Å; H136-Y173 PolarHBondContact CE1-OH 3.17Å; H136-Y173 VanDerWaalsContact CE1-OH 3.29Å; H136-Y173 AromaticContact NE2-CE2 3.48Å; H136-Y173 WeakPolarHBondContact NE2-CE2 3.29Å; H136-Y173 AromaticContact NE2-CZ 3.54Å; H136-Y173 PolarHBondContact NE2-OH 2.79Å; M169-Y173 HydrophobicContact CB-CD2 4.02Å; M169-Y173 HydrophobicContact CB-CE2 4.45Å; M169-Y173 HydrophobicContact CG-CD2 4.2Å; M169-Y173 HydrophobicContact CG-CE2 4.13Å; M169-Y173 WeakPolarHBondContact O-CB 3.38Å; M169-Y173 PolarHBondContact O-N 3.11Å; Y173-N175 VanDerWaalsContact C-N 3.27Å; Y173-N175 PolarHBondContact O-N 3.33Å; Y173-Y176 PolarHBondContact O-N 2.95Å; Y173-M177 HydrophobicContact CD1-CE 4Å; Y173-M177 WeakPolarHBondContact O-CB 3.37Å; Y173-M177 VanDerWaalsContact O-CG 3.27Å; Y173-M177 WeakPolarHBondContact O-CG 3.34Å; Y173-M177 PolarHBondContact O-N 2.99Å; Y173-P220 HydrophobicContact CD1-CB 4.19Å; Y173-P220 WeakPolarHBondContact CD1-O 3.4Å; Y173-P220 HydrophobicContact CE1-CB 3.9Å; Y173-P220 VanDerWaalsContact CE1-O 3.25Å; Y173-P220 WeakPolarHBondContact CE1-O 3.37Å; Y173-R223 HydrophobicContact CE1-CB 4.23Å; Y173-L224 HydrophobicContact CD1-CD1 4.08Å; Y173-L224 HydrophobicContact CD1-CG 3.9Å; Y173-L224 HydrophobicContact CD2-CD1 3.92Å; Y173-L224 HydrophobicContact CD2-CD2 3.9Å; Y173-L224 HydrophobicContact CD2-CG 4.01Å; Y173-L224 HydrophobicContact CE1-CD2 4.35Å; Y173-L224 HydrophobicContact CE1-CG 4.02Å; Y173-L224 HydrophobicContact CE2-CD2 3.71Å; Y173-L224 HydrophobicContact CE2-CG 4.14Å; Y173-L224 HydrophobicContact CG-CD1 3.65Å; Y173-L224 HydrophobicContact CG-CD2 4.29Å; Y173-L224 HydrophobicContact CG-CG 3.88Å
174	G	92.1	Very high	93.1	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-62.1	-34.4	179.2	0	0	0	0	0	113.2	D170 Q178	D170-G174 WeakPolarHBondContact O-CA 3.45Å; D170-G174 PolarHBondContact O-N 3.4Å; G174-Q178 WeakPolarHBondContact O-CB 3.27Å; G174-Q178 PolarHBondContact O-N 3.32Å
175	N	91.7	Very high	93	Very high	65 Å²	65	34.9 Å²	34.9	35%	0.348	18%	0.176	S	C	.	.	H	α-helix	trans	-70.2	-47.8	173.1	-163.1	-29.8	0	0	0	110.7	K128 R171 Y173 M177 Q178 F179	K128-N175 VanDerWaalsContact CD-OD1 3.29Å; K128-N175 WeakPolarHBondContact CD-OD1 3.49Å; K128-N175 WeakPolarHBondContact CE-OD1 3.36Å; R171-N175 VanDerWaalsContact O-CB 3.23Å; R171-N175 WeakPolarHBondContact O-CB 3.23Å; R171-N175 PolarHBondContact O-N 3.32Å; Y173-N175 VanDerWaalsContact C-N 3.27Å; Y173-N175 PolarHBondContact O-N 3.33Å; N175-M177 PolarHBondContact O-N 3.49Å; N175-Q178 PolarHBondContact O-N 2.79Å; N175-F179 VanDerWaalsContact O-CD2 3.25Å; N175-F179 WeakPolarHBondContact O-CD2 3.39Å
176	Y	95.3	Very high	92.7	Very high	7 Å²	7	40.2 Å²	40.2	3%	0.027	20%	0.201	C	C	.	.	H	α-helix	trans	-60.5	-48	177.9	-175.6	-99.3	0	0	0	113.3	K128 L129 I132 A172 Y173 Q178 F179 Y180 L217 P220 V221	K128-Y176 HydrophobicContact CB-CD2 3.92Å; L129-Y176 HydrophobicContact CD1-CE2 4.47Å; L129-Y176 HydrophobicContact CD2-CD2 3.69Å; L129-Y176 HydrophobicContact CD2-CE1 4.34Å; L129-Y176 HydrophobicContact CD2-CE2 3.27Å; L129-Y176 HydrophobicContact CD2-CG 4.43Å; L129-Y176 HydrophobicContact CG-CD2 4.02Å; L129-Y176 HydrophobicContact CG-CE2 3.57Å; I132-Y176 HydrophobicContact CD1-CD1 4.38Å; I132-Y176 HydrophobicContact CD1-CG 3.9Å; A172-Y176 PolarHBondContact O-N 3.22Å; Y173-Y176 PolarHBondContact O-N 2.95Å; Y176-Q178 PolarHBondContact O-N 3.32Å; Y176-F179 PolarHBondContact O-N 2.97Å; Y176-Y180 AromaticContact CE1-CD2 3.96Å; Y176-Y180 HydrophobicContact CE1-CD2 3.96Å; Y176-Y180 HydrophobicContact CE1-CG 4.13Å; Y176-Y180 AromaticContact CZ-CD2 3.93Å; Y176-Y180 PolarHBondContact O-N 3.34Å; Y176-Y180 WeakPolarHBondContact OH-CD2 3.29Å; Y176-L217 PolarHBondContact OH-O 2.99Å; Y176-P220 HydrophobicContact CD1-CB 3.83Å; Y176-P220 HydrophobicContact CD1-CG 4.17Å; Y176-P220 HydrophobicContact CE1-CB 3.91Å; Y176-P220 HydrophobicContact CE1-CG 3.83Å; Y176-V221 HydrophobicContact CE1-CG2 4.22Å
177	M	93.7	Very high	92.5	Very high	19 Å²	19	43.8 Å²	43.8	9%	0.094	22%	0.217	C	C	.	.	H	α-helix	trans	-66.4	-24.3	-177	-69.6	165.5	167.7	0	0	112.9	Y173 N175 F179 V221 L224 I262 L266	Y173-M177 HydrophobicContact CD1-CE 4Å; Y173-M177 WeakPolarHBondContact O-CB 3.37Å; Y173-M177 VanDerWaalsContact O-CG 3.27Å; Y173-M177 WeakPolarHBondContact O-CG 3.34Å; Y173-M177 PolarHBondContact O-N 2.99Å; N175-M177 PolarHBondContact O-N 3.49Å; M177-F179 VanDerWaalsContact C-N 3.34Å; M177-V221 HydrophobicContact CG-CG2 4.45Å; M177-L224 HydrophobicContact CE-CD1 4.32Å; M177-I262 HydrophobicContact SD-CD1 4.43Å; M177-I262 HydrophobicContact SD-CG2 3.69Å; M177-L266 HydrophobicContact CB-CD1 4.14Å; M177-L266 HydrophobicContact CB-CD2 4.32Å
178	Q	89	Confident	92.4	Very high	72 Å²	72	39.7 Å²	39.7	34%	0.336	19%	0.192	S	C	.	.	H	α-helix	trans	-70.8	-26.6	176.3	-171.9	176.5	9.9	0	0	113.2	G174 N175 Y176 L266 N269	G174-Q178 WeakPolarHBondContact O-CB 3.27Å; G174-Q178 PolarHBondContact O-N 3.32Å; N175-Q178 PolarHBondContact O-N 2.79Å; Y176-Q178 PolarHBondContact O-N 3.32Å; Q178-L266 HydrophobicContact CB-CD2 4.2Å; Q178-N269 PolarHBondContact NE2-OD1 2.98Å
179	F	88.7	Confident	92.2	Very high	25 Å²	25	37.4 Å²	37.4	11%	0.11	18%	0.184	C	C	.	.	H	α-helix	trans	-109.5	-13.9	-179.1	-60.5	-73.1	0	0	0	113.8	F124 K128 N175 Y176 M177 S181 L728	F124-F179 HydrophobicContact CD2-CD1 4.24Å; F124-F179 HydrophobicContact CE1-CB 4.42Å; F124-F179 VanDerWaalsContact CE1-O 3.26Å; F124-F179 WeakPolarHBondContact CE1-O 3.32Å; F124-F179 HydrophobicContact CE2-CB 4.33Å; F124-F179 AromaticContact CE2-CD1 3.62Å; F124-F179 HydrophobicContact CE2-CD1 3.62Å; F124-F179 HydrophobicContact CE2-CE1 4.45Å; F124-F179 HydrophobicContact CE2-CG 4.38Å; F124-F179 HydrophobicContact CZ-CB 4.16Å; F124-F179 HydrophobicContact CZ-CD1 4.08Å; K128-F179 HydrophobicContact CD-CD2 4.5Å; K128-F179 HydrophobicContact CG-CD2 4.16Å; N175-F179 VanDerWaalsContact O-CD2 3.25Å; N175-F179 WeakPolarHBondContact O-CD2 3.39Å; Y176-F179 PolarHBondContact O-N 2.97Å; M177-F179 VanDerWaalsContact C-N 3.34Å; F179-S181 PolarHBondContact O-N 3.23Å; F179-S181 VanDerWaalsContact O-N 3.13Å; F179-L728 HydrophobicContact CE1-CD2 4.36Å
180	Y	91.1	Very high	92	Very high	27 Å²	27	43.5 Å²	43.5	11%	0.106	21%	0.213	C	C	.	.			trans	-64.2	113.3	178.2	175.1	-98.6	0	0	0	112	Y176 P182 L185 L217 V218 V221	Y176-Y180 AromaticContact CE1-CD2 3.96Å; Y176-Y180 HydrophobicContact CE1-CD2 3.96Å; Y176-Y180 HydrophobicContact CE1-CG 4.13Å; Y176-Y180 AromaticContact CZ-CD2 3.93Å; Y176-Y180 PolarHBondContact O-N 3.34Å; Y176-Y180 WeakPolarHBondContact OH-CD2 3.29Å; Y180-P182 HydrophobicContact CE1-CG 3.72Å; Y180-L185 HydrophobicContact CE2-CD1 4.31Å; Y180-L217 HydrophobicContact CD2-CB 4.47Å; Y180-L217 HydrophobicContact CE2-CB 3.88Å; Y180-L217 WeakPolarHBondContact CE2-O 3.15Å; Y180-V218 HydrophobicContact CE1-CG2 4.39Å; Y180-V218 WeakPolarHBondContact OH-CB 3.28Å; Y180-V221 HydrophobicContact CD1-CG2 3.61Å; Y180-V221 HydrophobicContact CD2-CG2 4.49Å; Y180-V221 HydrophobicContact CE1-CG2 3.98Å; Y180-V221 HydrophobicContact CG-CG2 3.89Å
181	S	87.2	Confident	91.9	Very high	8 Å²	8	47.2 Å²	47.2	6%	0.056	23%	0.229	C	C	.	.			trans	-137.5	107.4	-176.3	179	0	0	0	0	112.3	F179 H184 L185 S731	F179-S181 PolarHBondContact O-N 3.23Å; F179-S181 VanDerWaalsContact O-N 3.13Å; S181-H184 PolarHBondContact O-N 2.82Å; S181-H184 WeakPolarHBondContact OG-CB 3.25Å; S181-H184 PolarHBondContact OG-N 3.37Å; S181-L185 PolarHBondContact O-N 2.67Å; S181-L185 VanDerWaalsContact O-N 3.12Å; S181-S731 WeakPolarHBondContact OG-CB 3.33Å
182	P	88.3	Confident	91.8	Very high	49 Å²	49	41.5 Å²	41.5	32%	0.318	21%	0.209	S	C	.	.	H	α-helix	trans	-59.7	-39.9	174	-18.9	28.7	0	0	0	114.5	Y180 L185 H186	Y180-P182 HydrophobicContact CE1-CG 3.72Å; P182-L185 WeakPolarHBondContact O-CB 3.31Å; P182-L185 PolarHBondContact O-N 3.33Å; P182-H186 PolarHBondContact O-N 2.9Å; P182-H186 VanDerWaalsContact O-N 3.16Å
183	P	89.4	Confident	91.7	Very high	64 Å²	64	45.7 Å²	45.7	42%	0.416	24%	0.236	S	C	.	.	H	α-helix	trans	-62.3	-41.1	174.4	-25.6	35.8	0	0	0	113.3	L185 H186 H187	P183-L185 PolarHBondContact O-N 3.27Å; P183-H186 WeakPolarHBondContact O-CB 3.49Å; P183-H186 PolarHBondContact O-N 2.92Å; P183-H187 PolarHBondContact O-N 3.05Å
184	H	89.1	Confident	91.6	Very high	26 Å²	26	49.9 Å²	49.9	12%	0.12	25%	0.251	C	S	.	.	H	α-helix	trans	-63.5	-40.2	176.2	173.6	79.3	0	0	0	111.7	E121 F124 S181 H186 H187 L188	E121-H184 IonicContact OE2-CE1 2.67Å; E121-H184 PolarHBondContact OE2-CE1 2.98Å; E121-H184 IonicContact OE2-NE2 3.23Å; F124-H184 AromaticContact CD1-CD2 3.55Å; F124-H184 AromaticContact CD1-NE2 3.31Å; F124-H184 VanDerWaalsContact CD1-NE2 3.31Å; F124-H184 WeakPolarHBondContact CD1-NE2 3.37Å; F124-H184 AromaticContact CE1-CD2 3.57Å; F124-H184 AromaticContact CE1-NE2 3.71Å; S181-H184 PolarHBondContact O-N 2.82Å; S181-H184 WeakPolarHBondContact OG-CB 3.25Å; S181-H184 PolarHBondContact OG-N 3.37Å; H184-H186 VanDerWaalsContact C-N 3.3Å; H184-H186 PolarHBondContact O-N 2.98Å; H184-H187 PolarHBondContact O-N 2.95Å; H184-L188 VanDerWaalsContact NE2-CD1 3.33Å; H184-L188 WeakPolarHBondContact NE2-CD1 3.24Å; H184-L188 WeakPolarHBondContact O-CG 3.39Å; H184-L188 PolarHBondContact O-N 3.28Å
185	L	91.5	Very high	91.8	Very high	6 Å²	6	49.8 Å²	49.8	3%	0.031	25%	0.251	C	S	.	.	H	α-helix	trans	-59.6	-36.7	173	-74.5	172.5	0	0	0	113.3	V125 Y180 S181 P182 P183 G189 F195 L217	V125-L185 HydrophobicContact CB-CD2 4.38Å; V125-L185 HydrophobicContact CG1-CD2 3.64Å; V125-L185 HydrophobicContact CG2-CD2 3.78Å; Y180-L185 HydrophobicContact CE2-CD1 4.31Å; S181-L185 PolarHBondContact O-N 2.67Å; S181-L185 VanDerWaalsContact O-N 3.12Å; P182-L185 WeakPolarHBondContact O-CB 3.31Å; P182-L185 PolarHBondContact O-N 3.33Å; P183-L185 PolarHBondContact O-N 3.27Å; L185-G189 PolarHBondContact O-N 3.21Å; L185-F195 HydrophobicContact CD2-CZ 4.42Å; L185-L217 HydrophobicContact CD1-CB 4.43Å; L185-L217 HydrophobicContact CD1-CD1 3.7Å; L185-L217 HydrophobicContact CD2-CD1 3.72Å; L185-L217 HydrophobicContact CG-CD1 4.38Å
186	H	90.8	Very high	91.9	Very high	120 Å²	120	50.8 Å²	50.8	56%	0.556	25%	0.253	S	S	*	.	H	α-helix	trans	-67.3	-47.9	173.1	-168.5	-83	0	0	0	111	P182 P183 H184 L188 G189 E190	P182-H186 PolarHBondContact O-N 2.9Å; P182-H186 VanDerWaalsContact O-N 3.16Å; P183-H186 WeakPolarHBondContact O-CB 3.49Å; P183-H186 PolarHBondContact O-N 2.92Å; H184-H186 VanDerWaalsContact C-N 3.3Å; H184-H186 PolarHBondContact O-N 2.98Å; H186-L188 PolarHBondContact O-N 3.1Å; H186-G189 WeakPolarHBondContact O-CA 3.25Å; H186-G189 PolarHBondContact O-N 3.21Å; H186-E190 IonicContact CE1-OE1 3.44Å; H186-E190 PolarHBondContact CE1-OE1 3.42Å; H186-E190 IonicContact CE1-OE2 3.66Å; H186-E190 PolarHBondContact CE1-OE2 3.22Å; H186-E190 VanDerWaalsContact ND1-CD 3.27Å; H186-E190 IonicContact ND1-OE1 3.51Å; H186-E190 IonicContact ND1-OE2 3.08Å; H186-E190 PolarHBondContact ND1-OE2 2.82Å; H186-E190 PolarHBondContact O-N 2.97Å; H186-E190 VanDerWaalsContact O-N 3.07Å
187	H	91.6	Very high	91.8	Very high	90 Å²	90	53.3 Å²	53.3	42%	0.417	28%	0.275	S	S	.	.	H	α-helix	trans	-58.5	-44.4	-179.6	-171.3	62.9	0	0	0	112.5	P183 H184 G189 E190 Q191	P183-H187 PolarHBondContact O-N 3.05Å; H184-H187 PolarHBondContact O-N 2.95Å; H187-G189 VanDerWaalsContact C-N 3.25Å; H187-G189 PolarHBondContact O-N 2.97Å; H187-E190 PolarHBondContact O-N 3.24Å; H187-E190 VanDerWaalsContact O-N 3.14Å; H187-Q191 VanDerWaalsContact O-CB 3.27Å; H187-Q191 WeakPolarHBondContact O-CB 3.31Å; H187-Q191 PolarHBondContact O-N 3.42Å
188	L	92.7	Very high	91.9	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60.4	-34.5	173.8	-72.2	-179	0	0	0	112.5	L117 E121 V125 H184 H186 F192 F195	L117-L188 HydrophobicContact CD1-CD1 4.04Å; L117-L188 HydrophobicContact CD2-CB 4.5Å; L117-L188 HydrophobicContact CD2-CD2 4.34Å; E121-L188 HydrophobicContact CB-CD1 4.3Å; E121-L188 HydrophobicContact CB-CD2 3.96Å; E121-L188 HydrophobicContact CG-CD2 3.98Å; V125-L188 HydrophobicContact CG2-CD1 3.52Å; H184-L188 VanDerWaalsContact NE2-CD1 3.33Å; H184-L188 WeakPolarHBondContact NE2-CD1 3.24Å; H184-L188 WeakPolarHBondContact O-CG 3.39Å; H184-L188 PolarHBondContact O-N 3.28Å; H186-L188 PolarHBondContact O-N 3.1Å; L188-F192 HydrophobicContact CD2-CD2 3.85Å; L188-F192 HydrophobicContact CD2-CE2 3.68Å; L188-F192 WeakPolarHBondContact O-CB 3.25Å; L188-F192 PolarHBondContact O-N 3.33Å; L188-F195 HydrophobicContact CB-CD1 3.79Å; L188-F195 HydrophobicContact CB-CE1 3.84Å; L188-F195 HydrophobicContact CD1-CE1 4.45Å
189	G	92.2	Very high	92.1	Very high	11 Å²	11	51 Å²	51	11%	0.113	27%	0.265	C	S	.	.	H	α-helix	trans	-64.9	-40.5	174.2	0	0	0	0	0	112.8	L185 H186 H187 H196	L185-G189 PolarHBondContact O-N 3.21Å; H186-G189 WeakPolarHBondContact O-CA 3.25Å; H186-G189 PolarHBondContact O-N 3.21Å; H187-G189 VanDerWaalsContact C-N 3.25Å; H187-G189 PolarHBondContact O-N 2.97Å; G189-H196 VanDerWaalsContact O-CB 3.31Å; G189-H196 WeakPolarHBondContact O-CB 3.31Å
190	E	93	Very high	92.3	Very high	129 Å²	129	55.6 Å²	55.6	60%	0.603	28%	0.281	S	S	*	.	H	α-helix	trans	-72.8	-41.3	177.2	-64.9	176.5	115.4	0	0	112.3	H186 H187	H186-E190 IonicContact CE1-OE1 3.44Å; H186-E190 PolarHBondContact CE1-OE1 3.42Å; H186-E190 IonicContact CE1-OE2 3.66Å; H186-E190 PolarHBondContact CE1-OE2 3.22Å; H186-E190 VanDerWaalsContact ND1-CD 3.27Å; H186-E190 IonicContact ND1-OE1 3.51Å; H186-E190 IonicContact ND1-OE2 3.08Å; H186-E190 PolarHBondContact ND1-OE2 2.82Å; H186-E190 PolarHBondContact O-N 2.97Å; H186-E190 VanDerWaalsContact O-N 3.07Å; H187-E190 PolarHBondContact O-N 3.24Å; H187-E190 VanDerWaalsContact O-N 3.14Å
191	Q	93.6	Very high	92.4	Very high	97 Å²	97	58.7 Å²	58.7	45%	0.453	30%	0.296	S	S	.	.	H	α-helix	trans	-73.1	-36.8	-178.6	-173	-176.8	9.5	0	0	112.7	H187 P193	H187-Q191 VanDerWaalsContact O-CB 3.27Å; H187-Q191 WeakPolarHBondContact O-CB 3.31Å; H187-Q191 PolarHBondContact O-N 3.42Å; Q191-P193 WeakPolarHBondContact O-CD 3.46Å
192	F	94.1	Very high	92.6	Very high	47 Å²	47	58.3 Å²	58.3	21%	0.206	29%	0.294	C	S	.	.			trans	-119.7	91.8	-177.6	-59.5	-81.4	0	0	0	110.8	L117 P118 E121 L188 R194 F195 H196	L117-F192 HydrophobicContact CD2-CB 3.77Å; L117-F192 HydrophobicContact CD2-CD1 4.37Å; L117-F192 HydrophobicContact CD2-CD2 3.4Å; L117-F192 VanDerWaalsContact CD2-CD2 3.4Å; L117-F192 HydrophobicContact CD2-CE2 4.06Å; L117-F192 HydrophobicContact CD2-CG 3.59Å; P118-F192 HydrophobicContact CG-CE1 3.75Å; P118-F192 HydrophobicContact CG-CZ 3.62Å; E121-F192 HydrophobicContact CG-CE2 4.35Å; L188-F192 HydrophobicContact CD2-CD2 3.85Å; L188-F192 HydrophobicContact CD2-CE2 3.68Å; L188-F192 WeakPolarHBondContact O-CB 3.25Å; L188-F192 PolarHBondContact O-N 3.33Å; F192-R194 PolarHBondContact O-N 2.8Å; F192-F195 HydrophobicContact CB-CB 3.92Å; F192-F195 WeakPolarHBondContact O-CA 3.41Å; F192-F195 WeakPolarHBondContact O-CB 3.33Å; F192-F195 PolarHBondContact O-N 3.05Å; F192-H196 PolarHBondContact O-N 3.01Å
193	P	93.6	Very high	92.7	Very high	97 Å²	97	59 Å²	59	63%	0.63	29%	0.293	S	S	*	.	H	α-helix	trans	-56.7	-26.4	-178.5	-29.5	36.1	0	0	0	115.1	Q191 A197	Q191-P193 WeakPolarHBondContact O-CD 3.46Å; P193-A197 WeakPolarHBondContact O-CB 3.42Å; P193-A197 PolarHBondContact O-N 3.3Å
194	R	94.5	Very high	92.7	Very high	87 Å²	87	62.4 Å²	62.4	33%	0.328	30%	0.301	S	S	.	.	H	α-helix	trans	-69.4	-34.9	172	-73.3	-176.9	64.6	-150.2	-2.5	112.4	Q111 G113 G114 P115 V116 F192 A197 F198	Q111-R194 VanDerWaalsContact CD-NH2 3.33Å; G113-R194 VanDerWaalsContact C-NH1 3.32Å; G113-R194 PolarHBondContact O-NH1 3.36Å; G114-R194 VanDerWaalsContact O-CZ 3.25Å; G114-R194 PolarHBondContact O-NH1 3.2Å; G114-R194 PolarHBondContact O-NH2 2.92Å; P115-R194 PolarHBondContact O-NH1 3.13Å; V116-R194 HydrophobicContact CG1-CB 4.21Å; F192-R194 PolarHBondContact O-N 2.8Å; R194-A197 PolarHBondContact O-N 3.33Å; R194-F198 WeakPolarHBondContact O-CB 3.39Å; R194-F198 PolarHBondContact O-N 2.96Å
195	F	95.6	Very high	92.6	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-69.7	-43.3	174	-175.1	-116.9	0	0	0	111.5	V116 L117 F126 L185 L188 F192 A197 F198 M199 L213	V116-F195 HydrophobicContact CG1-CB 4.01Å; V116-F195 HydrophobicContact CG1-CD2 4.21Å; L117-F195 HydrophobicContact CD1-CD1 4.28Å; L117-F195 HydrophobicContact CD1-CD2 3.59Å; L117-F195 HydrophobicContact CD1-CE1 4.34Å; L117-F195 HydrophobicContact CD1-CE2 3.65Å; L117-F195 HydrophobicContact CD1-CG 3.92Å; L117-F195 HydrophobicContact CD1-CZ 4.03Å; L117-F195 HydrophobicContact CD2-CB 3.68Å; L117-F195 HydrophobicContact CD2-CD1 4.23Å; L117-F195 HydrophobicContact CD2-CD2 4.2Å; L117-F195 HydrophobicContact CD2-CG 3.79Å; L117-F195 HydrophobicContact CG-CB 4.01Å; L117-F195 HydrophobicContact CG-CD2 3.7Å; L117-F195 HydrophobicContact CG-CE2 4.29Å; L117-F195 HydrophobicContact CG-CG 3.83Å; F126-F195 HydrophobicContact CE2-CE2 4.37Å; L185-F195 HydrophobicContact CD2-CZ 4.42Å; L188-F195 HydrophobicContact CB-CD1 3.79Å; L188-F195 HydrophobicContact CB-CE1 3.84Å; L188-F195 HydrophobicContact CD1-CE1 4.45Å; F192-F195 HydrophobicContact CB-CB 3.92Å; F192-F195 WeakPolarHBondContact O-CA 3.41Å; F192-F195 WeakPolarHBondContact O-CB 3.33Å; F192-F195 PolarHBondContact O-N 3.05Å; F195-A197 VanDerWaalsContact C-N 3.31Å; F195-A197 PolarHBondContact O-N 3.42Å; F195-F198 HydrophobicContact CD2-CD1 4.13Å; F195-F198 HydrophobicContact CE2-CD1 4.13Å; F195-F198 CarbonylContact O-C 3.6Å; F195-F198 WeakPolarHBondContact O-CA 3.41Å; F195-F198 WeakPolarHBondContact O-CB 3.49Å; F195-F198 PolarHBondContact O-N 3.41Å; F195-F198 VanDerWaalsContact O-N 3.09Å; F195-M199 HydrophobicContact CD1-CG 4.38Å; F195-M199 HydrophobicContact CD1-SD 3.85Å; F195-M199 HydrophobicContact CE1-CE 4.49Å; F195-M199 HydrophobicContact CE1-CG 4.16Å; F195-M199 HydrophobicContact CE1-SD 3.64Å; F195-M199 HydrophobicContact CE2-CG 4.49Å; F195-M199 HydrophobicContact CZ-CG 4.22Å; F195-M199 HydrophobicContact CZ-SD 4.25Å; F195-M199 VanDerWaalsContact O-CG 3.31Å; F195-M199 WeakPolarHBondContact O-CG 3.36Å; F195-M199 PolarHBondContact O-N 2.99Å; F195-L213 HydrophobicContact CE2-CD2 3.85Å; F195-L213 HydrophobicContact CZ-CD2 3.62Å
196	H	94.4	Very high	92.2	Very high	86 Å²	86	71.1 Å²	71.1	40%	0.398	34%	0.337	S	S	.	.	H	α-helix	trans	-59.3	-41.1	170.6	172.3	-114.2	0	0	0	112.1	G189 F192 F198 M199 R200	G189-H196 VanDerWaalsContact O-CB 3.31Å; G189-H196 WeakPolarHBondContact O-CB 3.31Å; F192-H196 PolarHBondContact O-N 3.01Å; H196-F198 VanDerWaalsContact C-N 3.34Å; H196-F198 PolarHBondContact O-N 3.37Å; H196-M199 PolarHBondContact O-N 3.33Å; H196-R200 PolarHBondContact NE2-NE 2.9Å; H196-R200 WeakPolarHBondContact O-CG 3.48Å; H196-R200 PolarHBondContact O-N 2.98Å
197	A	94.3	Very high	91.7	Very high	59 Å²	59	70.1 Å²	70.1	49%	0.488	33%	0.332	S	S	.	.	H	α-helix	trans	-62.1	-39.2	173.3	0	0	0	0	0	112.7	P193 R194 F195 R200 Q201	P193-A197 WeakPolarHBondContact O-CB 3.42Å; P193-A197 PolarHBondContact O-N 3.3Å; R194-A197 PolarHBondContact O-N 3.33Å; F195-A197 VanDerWaalsContact C-N 3.31Å; F195-A197 PolarHBondContact O-N 3.42Å; A197-R200 PolarHBondContact O-N 3.15Å; A197-Q201 PolarHBondContact O-N 2.64Å; A197-Q201 VanDerWaalsContact O-N 3.1Å
198	F	94.7	Very high	91	Very high	17 Å²	17	65.9 Å²	65.9	8%	0.075	31%	0.313	C	S	.	.	H	α-helix	trans	-63.6	-46.5	173.4	172.4	-94.9	0	0	0	112.1	A102 Q105 V106 V116 F126 R194 F195 H196 R200 Q201 V202 L213	A102-F198 HydrophobicContact CB-CZ 4.05Å; A102-F198 WeakPolarHBondContact O-CZ 3.35Å; Q105-F198 HydrophobicContact CB-CE2 3.96Å; V106-F198 HydrophobicContact CG2-CD1 3.88Å; V106-F198 HydrophobicContact CG2-CD2 4.38Å; V106-F198 HydrophobicContact CG2-CE1 3.44Å; V106-F198 VanDerWaalsContact CG2-CE1 3.44Å; V106-F198 HydrophobicContact CG2-CE2 3.99Å; V106-F198 HydrophobicContact CG2-CG 4.33Å; V106-F198 HydrophobicContact CG2-CZ 3.51Å; V116-F198 HydrophobicContact CG1-CB 3.96Å; V116-F198 HydrophobicContact CG1-CG 4.46Å; F126-F198 HydrophobicContact CZ-CE1 4.38Å; R194-F198 WeakPolarHBondContact O-CB 3.39Å; R194-F198 PolarHBondContact O-N 2.96Å; F195-F198 HydrophobicContact CD2-CD1 4.13Å; F195-F198 HydrophobicContact CE2-CD1 4.13Å; F195-F198 CarbonylContact O-C 3.6Å; F195-F198 WeakPolarHBondContact O-CA 3.41Å; F195-F198 WeakPolarHBondContact O-CB 3.49Å; F195-F198 PolarHBondContact O-N 3.41Å; F195-F198 VanDerWaalsContact O-N 3.09Å; H196-F198 VanDerWaalsContact C-N 3.34Å; H196-F198 PolarHBondContact O-N 3.37Å; F198-R200 VanDerWaalsContact C-N 3.27Å; F198-R200 PolarHBondContact O-N 3.48Å; F198-Q201 CarbonylContact O-C 3.53Å; F198-Q201 WeakPolarHBondContact O-CA 3.37Å; F198-Q201 WeakPolarHBondContact O-CB 3.33Å; F198-Q201 PolarHBondContact O-N 3.09Å; F198-V202 HydrophobicContact CD1-CG2 4.09Å; F198-V202 HydrophobicContact CE1-CG2 3.65Å; F198-V202 HydrophobicContact CE2-CG2 4.25Å; F198-V202 HydrophobicContact CZ-CG2 3.74Å; F198-V202 WeakPolarHBondContact O-CG2 3.4Å; F198-V202 PolarHBondContact O-N 3.34Å; F198-L213 HydrophobicContact CE1-CD2 4.26Å
199	M	93.8	Very high	90.4	Very high	27 Å²	27	67.5 Å²	67.5	13%	0.133	33%	0.33	C	S	.	.	H	α-helix	trans	-55.2	-43.2	174.6	-66.2	169.3	87.7	0	0	111.4	F195 H196 Q201 V202 E203 L213 P214	F195-M199 HydrophobicContact CD1-CG 4.38Å; F195-M199 HydrophobicContact CD1-SD 3.85Å; F195-M199 HydrophobicContact CE1-CE 4.49Å; F195-M199 HydrophobicContact CE1-CG 4.16Å; F195-M199 HydrophobicContact CE1-SD 3.64Å; F195-M199 HydrophobicContact CE2-CG 4.49Å; F195-M199 HydrophobicContact CZ-CG 4.22Å; F195-M199 HydrophobicContact CZ-SD 4.25Å; F195-M199 VanDerWaalsContact O-CG 3.31Å; F195-M199 WeakPolarHBondContact O-CG 3.36Å; F195-M199 PolarHBondContact O-N 2.99Å; H196-M199 PolarHBondContact O-N 3.33Å; M199-Q201 PolarHBondContact O-N 3.39Å; M199-V202 PolarHBondContact O-N 3.09Å; M199-E203 PolarHBondContact O-N 3.37Å; M199-E203 VanDerWaalsContact O-N 3.08Å; M199-L213 HydrophobicContact CB-CB 4.5Å; M199-L213 HydrophobicContact CG-CB 4.18Å; M199-L213 HydrophobicContact CG-CD2 3.86Å; M199-P214 HydrophobicContact CE-CG 3.9Å
200	R	93.2	Very high	90.1	Very high	120 Å²	120	75.6 Å²	75.6	45%	0.453	36%	0.357	S	S	.	.	H	α-helix	trans	-71.1	-10.9	174.7	-65.9	-58.1	-171.9	177.9	0.4	114.7	H196 A197 F198 E203 K204	H196-R200 PolarHBondContact NE2-NE 2.9Å; H196-R200 WeakPolarHBondContact O-CG 3.48Å; H196-R200 PolarHBondContact O-N 2.98Å; A197-R200 PolarHBondContact O-N 3.15Å; F198-R200 VanDerWaalsContact C-N 3.27Å; F198-R200 PolarHBondContact O-N 3.48Å; R200-E203 WeakPolarHBondContact CD-OE2 3.43Å; R200-E203 IonicContact CZ-OE2 3.71Å; R200-E203 IonicContact NE-OE2 2.82Å; R200-E203 IonicContact NH1-OE1 3.97Å; R200-E203 PolarHBondContact NH1-OE1 3.08Å; R200-E203 IonicContact NH1-OE2 3.38Å; R200-E203 PolarHBondContact NH1-OE2 3.36Å; R200-K204 VanDerWaalsContact O-CD 3.24Å; R200-K204 WeakPolarHBondContact O-CD 3.48Å; R200-K204 WeakPolarHBondContact O-CE 3.47Å; R200-K204 WeakPolarHBondContact O-CG 3.31Å; R200-K204 PolarHBondContact O-NZ 3.27Å
201	Q	92	Very high	90	Very high	92 Å²	92	71.4 Å²	71.4	43%	0.43	34%	0.337	S	S	.	.	H	α-helix	trans	-94.5	-37	171.1	-171.5	61.6	11.7	0	0	111.6	A197 F198 M199 E203 K204 R205	A197-Q201 PolarHBondContact O-N 2.64Å; A197-Q201 VanDerWaalsContact O-N 3.1Å; F198-Q201 CarbonylContact O-C 3.53Å; F198-Q201 WeakPolarHBondContact O-CA 3.37Å; F198-Q201 WeakPolarHBondContact O-CB 3.33Å; F198-Q201 PolarHBondContact O-N 3.09Å; M199-Q201 PolarHBondContact O-N 3.39Å; Q201-E203 VanDerWaalsContact C-N 3.31Å; Q201-E203 PolarHBondContact O-N 3.11Å; Q201-K204 PolarHBondContact O-N 2.82Å; Q201-K204 VanDerWaalsContact O-N 3.14Å; Q201-R205 PolarHBondContact O-N 3.34Å
202	V	92.1	Very high	90	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-56	-47.1	169.6	174.9	0	0	0	0	110.3	Y97 F198 M199 K204 R205 S208 L213 L216	Y97-V202 HydrophobicContact CE1-CG1 4.08Å; F198-V202 HydrophobicContact CD1-CG2 4.09Å; F198-V202 HydrophobicContact CE1-CG2 3.65Å; F198-V202 HydrophobicContact CE2-CG2 4.25Å; F198-V202 HydrophobicContact CZ-CG2 3.74Å; F198-V202 WeakPolarHBondContact O-CG2 3.4Å; F198-V202 PolarHBondContact O-N 3.34Å; M199-V202 PolarHBondContact O-N 3.09Å; V202-K204 PolarHBondContact O-N 2.87Å; V202-R205 PolarHBondContact O-N 2.88Å; V202-R205 VanDerWaalsContact O-N 3.17Å; V202-S208 WeakPolarHBondContact O-CB 3.24Å; V202-S208 PolarHBondContact O-OG 3.02Å; V202-L213 HydrophobicContact CG1-CB 4.41Å; V202-L216 HydrophobicContact CG1-CD1 3.9Å
203	E	90.7	Very high	90	Very high	65 Å²	65	66.6 Å²	66.6	30%	0.304	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-20.9	177.5	-170.6	174.4	-139.1	0	0	114.2	M199 R200 Q201 R210 Q211	M199-E203 PolarHBondContact O-N 3.37Å; M199-E203 VanDerWaalsContact O-N 3.08Å; R200-E203 WeakPolarHBondContact CD-OE2 3.43Å; R200-E203 IonicContact CZ-OE2 3.71Å; R200-E203 IonicContact NE-OE2 2.82Å; R200-E203 IonicContact NH1-OE1 3.97Å; R200-E203 PolarHBondContact NH1-OE1 3.08Å; R200-E203 IonicContact NH1-OE2 3.38Å; R200-E203 PolarHBondContact NH1-OE2 3.36Å; Q201-E203 VanDerWaalsContact C-N 3.31Å; Q201-E203 PolarHBondContact O-N 3.11Å; E203-R210 CarbonylContact O-C 3.59Å; E203-R210 WeakPolarHBondContact O-CA 2.96Å; E203-Q211 WeakPolarHBondContact CA-O 3.19Å
204	K	88.9	Confident	90	Very high	135 Å²	135	64 Å²	64	59%	0.587	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-14.5	-177.3	-65.7	170.1	-171.6	159.4	0	114.7	R200 Q201 V202	R200-K204 VanDerWaalsContact O-CD 3.24Å; R200-K204 WeakPolarHBondContact O-CD 3.48Å; R200-K204 WeakPolarHBondContact O-CE 3.47Å; R200-K204 WeakPolarHBondContact O-CG 3.31Å; R200-K204 PolarHBondContact O-NZ 3.27Å; Q201-K204 PolarHBondContact O-N 2.82Å; Q201-K204 VanDerWaalsContact O-N 3.14Å; V202-K204 PolarHBondContact O-N 2.87Å
205	R	86.4	Confident	89.9	Confident	48 Å²	48	61.4 Å²	61.4	18%	0.181	30%	0.301	C	S	.	.			trans	-70.9	159.2	-176.1	-75.4	170.9	179.8	169.9	-1.5	111.9	Y97 Q201 V202 S208 R210	Y97-R205 VanDerWaalsContact OH-CD 3.29Å; Y97-R205 WeakPolarHBondContact OH-CD 3.38Å; Y97-R205 PolarHBondContact OH-NH1 3.47Å; Q201-R205 PolarHBondContact O-N 3.34Å; V202-R205 PolarHBondContact O-N 2.88Å; V202-R205 VanDerWaalsContact O-N 3.17Å; R205-S208 WeakPolarHBondContact CB-OG 3.33Å; R205-S208 PolarHBondContact O-OG 3Å; R205-S208 VanDerWaalsContact O-OG 3.11Å; R205-R210 VanDerWaalsContact O-CG 3.32Å; R205-R210 WeakPolarHBondContact O-CG 3.41Å; R205-R210 PolarHBondContact O-N 3.18Å
206	K	83.3	Confident	89.9	Confident	167 Å²	167	61.5 Å²	61.5	73%	0.726	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-42.1	169.5	-73.9	-173	175.9	-175.3	0	111	S208 G209	K206-S208 VanDerWaalsContact C-N 3.28Å; K206-S208 PolarHBondContact O-N 2.8Å; K206-G209 WeakPolarHBondContact O-CA 3.43Å; K206-G209 PolarHBondContact O-N 3.3Å
207	E	80.5	Confident	89.9	Confident	98 Å²	98	57.4 Å²	57.4	46%	0.458	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-40.2	179.3	-62.9	143.5	-113.1	0	0	112.9	Y97 N101 G209	Y97-E207 HydrophobicContact CD2-CB 3.45Å; Y97-E207 VanDerWaalsContact CD2-CB 3.45Å; Y97-E207 HydrophobicContact CD2-CG 4.31Å; Y97-E207 WeakPolarHBondContact CD2-OE2 3.35Å; Y97-E207 HydrophobicContact CE2-CB 3.72Å; Y97-E207 WeakPolarHBondContact CE2-OE2 3.11Å; Y97-E207 HydrophobicContact CG-CB 4.26Å; N101-E207 PolarHBondContact ND2-OE2 3Å; E207-G209 PolarHBondContact O-N 3.01Å
208	S	77.6	Confident	90	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.014	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	1.9	176.7	56.9	0	0	0	0	114.6	V202 R205 K206 R210 Q211	V202-S208 WeakPolarHBondContact O-CB 3.24Å; V202-S208 PolarHBondContact O-OG 3.02Å; R205-S208 WeakPolarHBondContact CB-OG 3.33Å; R205-S208 PolarHBondContact O-OG 3Å; R205-S208 VanDerWaalsContact O-OG 3.11Å; K206-S208 VanDerWaalsContact C-N 3.28Å; K206-S208 PolarHBondContact O-N 2.8Å; S208-R210 PolarHBondContact O-N 3.46Å; S208-R210 VanDerWaalsContact O-N 3.15Å; S208-R210 PolarHBondContact OG-N 2.88Å; S208-Q211 WeakPolarHBondContact O-CB 3.42Å; S208-Q211 PolarHBondContact O-N 3.41Å
209	G	80.2	Confident	90	Very high	34 Å²	34	59.3 Å²	59.3	35%	0.351	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	21.8	-168.1	0	0	0	0	0	113.6	K206 E207 Q211	K206-G209 WeakPolarHBondContact O-CA 3.43Å; K206-G209 PolarHBondContact O-N 3.3Å; E207-G209 PolarHBondContact O-N 3.01Å; G209-Q211 PolarHBondContact O-N 3.05Å
210	R	85	Confident	90.2	Very high	180 Å²	180	58 Å²	58	68%	0.679	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	26.5	-168.7	-59.3	177.8	173.9	172.9	-1.7	114.8	E203 R205 S208	E203-R210 CarbonylContact O-C 3.59Å; E203-R210 WeakPolarHBondContact O-CA 2.96Å; R205-R210 VanDerWaalsContact O-CG 3.32Å; R205-R210 WeakPolarHBondContact O-CG 3.41Å; R205-R210 PolarHBondContact O-N 3.18Å; S208-R210 PolarHBondContact O-N 3.46Å; S208-R210 VanDerWaalsContact O-N 3.15Å; S208-R210 PolarHBondContact OG-N 2.88Å
211	Q	90.6	Very high	90.3	Very high	41 Å²	41	54.4 Å²	54.4	19%	0.192	27%	0.265	C	S	.	.			trans	-86.1	147.9	174.7	-60.2	178.7	61	0	0	110.5	E203 S208 G209 A215 L216	E203-Q211 WeakPolarHBondContact CA-O 3.19Å; S208-Q211 WeakPolarHBondContact O-CB 3.42Å; S208-Q211 PolarHBondContact O-N 3.41Å; G209-Q211 PolarHBondContact O-N 3.05Å; Q211-A215 HydrophobicContact CB-CB 4.27Å; Q211-L216 HydrophobicContact CB-CD2 3.8Å; Q211-L216 HydrophobicContact CB-CG 4.1Å; Q211-L216 HydrophobicContact CG-CD2 4.41Å
212	S	93.4	Very high	90.4	Very high	44 Å²	44	54.1 Å²	54.1	31%	0.308	26%	0.263	S	S	.	.			trans	-68.1	154.3	172.5	66.1	0	0	0	0	110.7	A215 L216	S212-A215 WeakPolarHBondContact O-CB 3.45Å; S212-A215 PolarHBondContact O-N 3.4Å; S212-L216 PolarHBondContact O-N 3.27Å
213	L	94.1	Very high	90.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-54.2	-43.2	-178.1	-178.8	65.4	0	0	0	113.4	L98 F126 F195 F198 M199 V202 A215 L216 L217	L98-L213 HydrophobicContact CD2-CD1 3.93Å; F126-L213 HydrophobicContact CE1-CD1 4.01Å; F126-L213 HydrophobicContact CZ-CD1 4.05Å; F126-L213 HydrophobicContact CZ-CD2 3.99Å; F195-L213 HydrophobicContact CE2-CD2 3.85Å; F195-L213 HydrophobicContact CZ-CD2 3.62Å; F198-L213 HydrophobicContact CE1-CD2 4.26Å; M199-L213 HydrophobicContact CB-CB 4.5Å; M199-L213 HydrophobicContact CG-CB 4.18Å; M199-L213 HydrophobicContact CG-CD2 3.86Å; V202-L213 HydrophobicContact CG1-CB 4.41Å; L213-A215 VanDerWaalsContact C-N 3.32Å; L213-A215 PolarHBondContact O-N 3.1Å; L213-L216 PolarHBondContact O-N 3.11Å; L213-L216 VanDerWaalsContact O-N 3.15Å; L213-L217 HydrophobicContact CD1-CD1 4.04Å; L213-L217 HydrophobicContact CD1-CG 4.08Å; L213-L217 HydrophobicContact CD2-CD1 4.28Å; L213-L217 HydrophobicContact CG-CD1 3.77Å; L213-L217 HydrophobicContact CG-CG 4.24Å; L213-L217 WeakPolarHBondContact O-CG 3.28Å; L213-L217 PolarHBondContact O-N 2.81Å
214	P	93.7	Very high	91	Very high	42 Å²	42	51.6 Å²	51.6	27%	0.273	25%	0.251	S	S	.	.	H	α-helix	trans	-61.8	-34.9	174.4	-24.2	35.9	0	0	0	113.9	M199 L216 L217 V218	M199-P214 HydrophobicContact CE-CG 3.9Å; P214-L216 PolarHBondContact O-N 3.38Å; P214-L217 PolarHBondContact O-N 2.9Å; P214-V218 WeakPolarHBondContact O-CB 3.22Å; P214-V218 PolarHBondContact O-N 3.19Å
215	A	93.6	Very high	91.3	Very high	33 Å²	33	47 Å²	47	27%	0.273	24%	0.235	S	C	.	.	H	α-helix	trans	-72.6	-13.8	177.6	0	0	0	0	0	113.8	Q211 S212 L213 R219	Q211-A215 HydrophobicContact CB-CB 4.27Å; S212-A215 WeakPolarHBondContact O-CB 3.45Å; S212-A215 PolarHBondContact O-N 3.4Å; L213-A215 VanDerWaalsContact C-N 3.32Å; L213-A215 PolarHBondContact O-N 3.1Å; A215-R219 PolarHBondContact O-NE 3.36Å; A215-R219 VanDerWaalsContact O-NE 3.13Å
216	L	94.9	Very high	91.8	Very high	1 Å²	1	47 Å²	47	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-90	-44.1	167.2	-61.1	177.9	0	0	0	111.5	I94 Y97 L98 V202 Q211 S212 L213 P214 V218 R219	I94-L216 HydrophobicContact CG1-CD2 4.46Å; I94-L216 HydrophobicContact CG2-CB 4.46Å; I94-L216 HydrophobicContact CG2-CD2 4.01Å; Y97-L216 HydrophobicContact CD1-CD1 4.13Å; Y97-L216 HydrophobicContact CE1-CD1 3.96Å; L98-L216 HydrophobicContact CD1-CB 4.2Å; L98-L216 HydrophobicContact CD2-CB 4.02Å; L98-L216 HydrophobicContact CD2-CD1 4.29Å; L98-L216 HydrophobicContact CG-CB 4.43Å; V202-L216 HydrophobicContact CG1-CD1 3.9Å; Q211-L216 HydrophobicContact CB-CD2 3.8Å; Q211-L216 HydrophobicContact CB-CG 4.1Å; Q211-L216 HydrophobicContact CG-CD2 4.41Å; S212-L216 PolarHBondContact O-N 3.27Å; L213-L216 PolarHBondContact O-N 3.11Å; L213-L216 VanDerWaalsContact O-N 3.15Å; P214-L216 PolarHBondContact O-N 3.38Å; L216-V218 VanDerWaalsContact C-N 3.3Å; L216-V218 PolarHBondContact O-N 2.99Å; L216-R219 VanDerWaalsContact O-CB 3.25Å; L216-R219 WeakPolarHBondContact O-CB 3.39Å; L216-R219 WeakPolarHBondContact O-CG 3.3Å; L216-R219 PolarHBondContact O-N 2.83Å; L216-R219 VanDerWaalsContact O-N 3.12Å
217	L	95.8	Very high	92.5	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-68.4	-24.6	-178.8	-66.8	173.6	0	0	0	113.3	L98 V125 F126 L129 Y176 Y180 L185 L213 P214 R219 P220	L98-L217 HydrophobicContact CD1-CD2 4.26Å; L98-L217 HydrophobicContact CD2-CD2 4.03Å; V125-L217 HydrophobicContact CG1-CD1 3.72Å; F126-L217 HydrophobicContact CD1-CD2 4.28Å; F126-L217 HydrophobicContact CE1-CD2 4.26Å; L129-L217 HydrophobicContact CD1-CD2 3.88Å; Y176-L217 PolarHBondContact OH-O 2.99Å; Y180-L217 HydrophobicContact CD2-CB 4.47Å; Y180-L217 HydrophobicContact CE2-CB 3.88Å; Y180-L217 WeakPolarHBondContact CE2-O 3.15Å; L185-L217 HydrophobicContact CD1-CB 4.43Å; L185-L217 HydrophobicContact CD1-CD1 3.7Å; L185-L217 HydrophobicContact CD2-CD1 3.72Å; L185-L217 HydrophobicContact CG-CD1 4.38Å; L213-L217 HydrophobicContact CD1-CD1 4.04Å; L213-L217 HydrophobicContact CD1-CG 4.08Å; L213-L217 HydrophobicContact CD2-CD1 4.28Å; L213-L217 HydrophobicContact CG-CD1 3.77Å; L213-L217 HydrophobicContact CG-CG 4.24Å; L213-L217 WeakPolarHBondContact O-CG 3.28Å; L213-L217 PolarHBondContact O-N 2.81Å; P214-L217 PolarHBondContact O-N 2.9Å; L217-R219 PolarHBondContact O-N 3.42Å; L217-P220 VanDerWaalsContact O-CD 3.24Å; L217-P220 WeakPolarHBondContact O-CD 3.24Å
218	V	95.3	Very high	93.2	Very high	32 Å²	32	34.7 Å²	34.7	19%	0.194	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-15.4	172.7	76.3	0	0	0	0	113.5	Y180 P214 L216 V221 Q222	Y180-V218 HydrophobicContact CE1-CG2 4.39Å; Y180-V218 WeakPolarHBondContact OH-CB 3.28Å; P214-V218 WeakPolarHBondContact O-CB 3.22Å; P214-V218 PolarHBondContact O-N 3.19Å; L216-V218 VanDerWaalsContact C-N 3.3Å; L216-V218 PolarHBondContact O-N 2.99Å; V218-V221 WeakPolarHBondContact O-CB 3.47Å; V218-V221 PolarHBondContact O-N 3.4Å; V218-V221 VanDerWaalsContact O-N 3.17Å; V218-Q222 HydrophobicContact CG2-CG 4.28Å; V218-Q222 PolarHBondContact O-N 2.93Å
219	R	95.9	Very high	94.1	Very high	84 Å²	84	40.9 Å²	40.9	32%	0.317	22%	0.22	S	C	.	.	H	α-helix	trans	-63.3	-39.5	-170.3	-62.9	-62.3	-174.6	157.4	2.9	115	Y91 I94 A215 L216 L217 V221 Q222 R223	Y91-R219 HydrophobicContact CD2-CB 4.39Å; Y91-R219 HydrophobicContact CE2-CB 4.11Å; I94-R219 HydrophobicContact CG2-CG 4.44Å; A215-R219 PolarHBondContact O-NE 3.36Å; A215-R219 VanDerWaalsContact O-NE 3.13Å; L216-R219 VanDerWaalsContact O-CB 3.25Å; L216-R219 WeakPolarHBondContact O-CB 3.39Å; L216-R219 WeakPolarHBondContact O-CG 3.3Å; L216-R219 PolarHBondContact O-N 2.83Å; L216-R219 VanDerWaalsContact O-N 3.12Å; L217-R219 PolarHBondContact O-N 3.42Å; R219-V221 VanDerWaalsContact C-N 3.34Å; R219-V221 PolarHBondContact O-N 3.45Å; R219-Q222 PolarHBondContact O-N 2.92Å; R219-R223 PolarHBondContact O-N 3.49Å
220	P	96.3	Very high	94.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.6	-38.4	173.5	-19.6	32.9	0	0	0	112.6	Y91 L95 L129 I132 Y173 Y176 L217 Q222 R223	Y91-P220 VanDerWaalsContact OH-CA 3.31Å; Y91-P220 WeakPolarHBondContact OH-CA 3.15Å; Y91-P220 WeakPolarHBondContact OH-CB 3.36Å; L95-P220 HydrophobicContact CD2-CG 4.16Å; L129-P220 HydrophobicContact CD2-CG 3.76Å; I132-P220 HydrophobicContact CD1-CB 4.02Å; Y173-P220 HydrophobicContact CD1-CB 4.19Å; Y173-P220 WeakPolarHBondContact CD1-O 3.4Å; Y173-P220 HydrophobicContact CE1-CB 3.9Å; Y173-P220 VanDerWaalsContact CE1-O 3.25Å; Y173-P220 WeakPolarHBondContact CE1-O 3.37Å; Y176-P220 HydrophobicContact CD1-CB 3.83Å; Y176-P220 HydrophobicContact CD1-CG 4.17Å; Y176-P220 HydrophobicContact CE1-CB 3.91Å; Y176-P220 HydrophobicContact CE1-CG 3.83Å; L217-P220 VanDerWaalsContact O-CD 3.24Å; L217-P220 WeakPolarHBondContact O-CD 3.24Å; P220-Q222 PolarHBondContact O-N 2.98Å; P220-R223 PolarHBondContact O-N 2.85Å; P220-R223 VanDerWaalsContact O-N 3.12Å
221	V	95	Very high	95.4	Very high	43 Å²	43	31.6 Å²	31.6	26%	0.261	18%	0.176	S	C	.	.	H	α-helix	trans	-59.5	-36.9	176.1	-167.6	0	0	0	0	111	Y176 M177 Y180 V218 R219 P225	Y176-V221 HydrophobicContact CE1-CG2 4.22Å; M177-V221 HydrophobicContact CG-CG2 4.45Å; Y180-V221 HydrophobicContact CD1-CG2 3.61Å; Y180-V221 HydrophobicContact CD2-CG2 4.49Å; Y180-V221 HydrophobicContact CE1-CG2 3.98Å; Y180-V221 HydrophobicContact CG-CG2 3.89Å; V218-V221 WeakPolarHBondContact O-CB 3.47Å; V218-V221 PolarHBondContact O-N 3.4Å; V218-V221 VanDerWaalsContact O-N 3.17Å; R219-V221 VanDerWaalsContact C-N 3.34Å; R219-V221 PolarHBondContact O-N 3.45Å; V221-P225 WeakPolarHBondContact O-CD 3.34Å
222	Q	96.1	Very high	95.7	Very high	86 Å²	86	33.3 Å²	33.3	40%	0.402	19%	0.186	S	C	.	.	H	α-helix	trans	-83	-17.2	178.4	-66.3	173.8	-17.1	0	0	114.4	V218 R219 P220 S226	V218-Q222 HydrophobicContact CG2-CG 4.28Å; V218-Q222 PolarHBondContact O-N 2.93Å; R219-Q222 PolarHBondContact O-N 2.92Å; P220-Q222 PolarHBondContact O-N 2.98Å; Q222-S226 WeakPolarHBondContact O-CB 3.41Å; Q222-S226 PolarHBondContact O-N 2.91Å; Q222-S226 PolarHBondContact O-OG 3.28Å
223	R	97.7	Very high	95.8	Very high	13 Å²	13	31.9 Å²	31.9	5%	0.049	18%	0.178	C	C	.	.	H	α-helix	trans	-71.6	-50.3	-171.2	-172	66.1	-178	150.7	2.5	112.2	T87 E88 Y91 Y173 R219 P220 S226 I227	T87-R223 PolarHBondContact OG1-NH1 3.27Å; T87-R223 PolarHBondContact OG1-NH2 3.15Å; E88-R223 IonicContact OE2-CZ 3.23Å; E88-R223 VanDerWaalsContact OE2-CZ 3.25Å; E88-R223 IonicContact OE2-NE 3.27Å; E88-R223 PolarHBondContact OE2-NE 2.91Å; E88-R223 IonicContact OE2-NH2 3.82Å; E88-R223 PolarHBondContact OE2-NH2 3.34Å; Y91-R223 HydrophobicContact CD1-CG 3.8Å; Y91-R223 HydrophobicContact CD2-CB 4.49Å; Y91-R223 HydrophobicContact CD2-CG 4.41Å; Y91-R223 HydrophobicContact CE1-CB 4.09Å; Y91-R223 HydrophobicContact CE1-CG 3.62Å; Y91-R223 HydrophobicContact CE2-CB 4.01Å; Y91-R223 HydrophobicContact CE2-CG 4.27Å; Y91-R223 HydrophobicContact CG-CG 4.2Å; Y173-R223 HydrophobicContact CE1-CB 4.23Å; R219-R223 PolarHBondContact O-N 3.49Å; P220-R223 PolarHBondContact O-N 2.85Å; P220-R223 VanDerWaalsContact O-N 3.12Å; R223-S226 CarbonylContact O-C 3.59Å; R223-S226 WeakPolarHBondContact O-CA 3.24Å; R223-S226 WeakPolarHBondContact O-CB 3.42Å; R223-S226 PolarHBondContact O-N 3.46Å; R223-I227 HydrophobicContact CG-CD1 3.83Å; R223-I227 HydrophobicContact CG-CG1 4.1Å; R223-I227 WeakPolarHBondContact O-CG1 3.13Å; R223-I227 PolarHBondContact O-N 2.83Å
224	L	96.2	Very high	95.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-58.8	-45	-178.3	-64.6	-174.6	0	0	0	113.4	M169 Y173 M177 S226 I227 S228 I255 L258 L259 I262	M169-L224 HydrophobicContact CB-CD2 4.43Å; M169-L224 HydrophobicContact CE-CD2 4.46Å; M169-L224 HydrophobicContact CG-CD2 4.3Å; M169-L224 HydrophobicContact SD-CD2 3.7Å; Y173-L224 HydrophobicContact CD1-CD1 4.08Å; Y173-L224 HydrophobicContact CD1-CG 3.9Å; Y173-L224 HydrophobicContact CD2-CD1 3.92Å; Y173-L224 HydrophobicContact CD2-CD2 3.9Å; Y173-L224 HydrophobicContact CD2-CG 4.01Å; Y173-L224 HydrophobicContact CE1-CD2 4.35Å; Y173-L224 HydrophobicContact CE1-CG 4.02Å; Y173-L224 HydrophobicContact CE2-CD2 3.71Å; Y173-L224 HydrophobicContact CE2-CG 4.14Å; Y173-L224 HydrophobicContact CG-CD1 3.65Å; Y173-L224 HydrophobicContact CG-CD2 4.29Å; Y173-L224 HydrophobicContact CG-CG 3.88Å; M177-L224 HydrophobicContact CE-CD1 4.32Å; L224-S226 VanDerWaalsContact C-N 3.31Å; L224-S226 PolarHBondContact O-N 2.86Å; L224-I227 PolarHBondContact O-N 3.32Å; L224-S228 PolarHBondContact O-N 3.06Å; L224-I255 HydrophobicContact CD2-CD1 4.18Å; L224-L258 HydrophobicContact CD1-CD2 4.25Å; L224-L259 HydrophobicContact CB-CD2 3.69Å; L224-L259 HydrophobicContact CB-CG 4.33Å; L224-I262 HydrophobicContact CD1-CD1 3.92Å
225	P	96.4	Very high	96	Very high	37 Å²	37	30.8 Å²	30.8	24%	0.24	17%	0.173	C	C	.	.	H	α-helix	trans	-60	-38.7	171.6	-24.4	34.8	0	0	0	113.3	V221 S228 L229 L259	V221-P225 WeakPolarHBondContact O-CD 3.34Å; P225-S228 PolarHBondContact O-N 3.47Å; P225-L229 PolarHBondContact O-N 3.48Å; P225-L259 HydrophobicContact CG-CD2 3.89Å
226	S	96.9	Very high	96.1	Very high	49 Å²	49	36.7 Å²	36.7	34%	0.343	19%	0.193	S	C	.	.	H	α-helix	trans	-65.8	-37.7	176.7	-56.8	0	0	0	0	112.5	Q222 R223 L224 L230	Q222-S226 WeakPolarHBondContact O-CB 3.41Å; Q222-S226 PolarHBondContact O-N 2.91Å; Q222-S226 PolarHBondContact O-OG 3.28Å; R223-S226 CarbonylContact O-C 3.59Å; R223-S226 WeakPolarHBondContact O-CA 3.24Å; R223-S226 WeakPolarHBondContact O-CB 3.42Å; R223-S226 PolarHBondContact O-N 3.46Å; L224-S226 VanDerWaalsContact C-N 3.31Å; L224-S226 PolarHBondContact O-N 2.86Å; S226-L230 WeakPolarHBondContact O-CD1 3.4Å; S226-L230 WeakPolarHBondContact O-CG 3.34Å; S226-L230 PolarHBondContact O-N 2.83Å
227	I	97	Very high	96	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-66.5	-44	175.3	-64.6	179.2	0	0	0	109.8	F84 M169 R223 L224 L229 L230 M231 F251 I255	F84-I227 HydrophobicContact CE2-CD1 4.38Å; F84-I227 HydrophobicContact CE2-CG1 4.06Å; F84-I227 HydrophobicContact CE2-CG2 4.08Å; M169-I227 HydrophobicContact CE-CD1 4.39Å; R223-I227 HydrophobicContact CG-CD1 3.83Å; R223-I227 HydrophobicContact CG-CG1 4.1Å; R223-I227 WeakPolarHBondContact O-CG1 3.13Å; R223-I227 PolarHBondContact O-N 2.83Å; L224-I227 PolarHBondContact O-N 3.32Å; I227-L229 PolarHBondContact O-N 2.97Å; I227-L230 PolarHBondContact O-N 3.5Å; I227-L230 VanDerWaalsContact O-N 3.14Å; I227-M231 HydrophobicContact CG2-CE 4.23Å; I227-M231 HydrophobicContact CG2-CG 3.95Å; I227-M231 VanDerWaalsContact O-CG 3.29Å; I227-M231 WeakPolarHBondContact O-CG 3.46Å; I227-M231 PolarHBondContact O-N 2.79Å; I227-F251 HydrophobicContact CG2-CE1 4.27Å; I227-I255 HydrophobicContact CB-CD1 3.64Å; I227-I255 HydrophobicContact CG2-CD1 3.43Å; I227-I255 VanDerWaalsContact CG2-CD1 3.43Å
228	S	96.2	Very high	96	Very high	5 Å²	5	38.7 Å²	38.7	4%	0.035	20%	0.201	C	C	.	.	H	α-helix	trans	-53	-52.9	176.3	179.4	0	0	0	0	112.1	L224 P225 L230 M231 D232 N256	L224-S228 PolarHBondContact O-N 3.06Å; P225-S228 PolarHBondContact O-N 3.47Å; S228-L230 VanDerWaalsContact C-N 3.29Å; S228-L230 PolarHBondContact O-N 2.85Å; S228-M231 PolarHBondContact O-N 3.17Å; S228-M231 VanDerWaalsContact O-N 3.1Å; S228-D232 PolarHBondContact O-N 3.41Å; S228-N256 PolarHBondContact OG-ND2 3.35Å; S228-N256 PolarHBondContact OG-OD1 2.95Å
229	L	96.4	Very high	95.9	Very high	131 Å²	131	37.9 Å²	37.9	69%	0.686	20%	0.197	S	C	*	.	H	α-helix	trans	-60.3	-35.1	178.3	-66.9	173.5	0	0	0	113.6	P225 I227 G233	P225-L229 PolarHBondContact O-N 3.48Å; I227-L229 PolarHBondContact O-N 2.97Å; L229-G233 PolarHBondContact O-N 3Å; L229-G233 VanDerWaalsContact O-N 3.14Å
230	L	96.3	Very high	95.8	Very high	18 Å²	18	41.5 Å²	41.5	9%	0.094	22%	0.217	C	C	.	.	H	α-helix	trans	-70.4	-42.8	174.6	-73	165.8	0	0	0	111.3	E83 F84 S226 I227 S228 G233 I234	E83-L230 HydrophobicContact CG-CD2 4.09Å; F84-L230 HydrophobicContact CB-CD1 4.31Å; F84-L230 HydrophobicContact CD2-CB 4.36Å; F84-L230 HydrophobicContact CD2-CD1 3.97Å; S226-L230 WeakPolarHBondContact O-CD1 3.4Å; S226-L230 WeakPolarHBondContact O-CG 3.34Å; S226-L230 PolarHBondContact O-N 2.83Å; I227-L230 PolarHBondContact O-N 3.5Å; I227-L230 VanDerWaalsContact O-N 3.14Å; S228-L230 VanDerWaalsContact C-N 3.29Å; S228-L230 PolarHBondContact O-N 2.85Å; L230-G233 WeakPolarHBondContact O-CA 3.48Å; L230-G233 PolarHBondContact O-N 3.42Å; L230-I234 WeakPolarHBondContact O-CD1 3.47Å; L230-I234 VanDerWaalsContact O-CG1 3.23Å; L230-I234 WeakPolarHBondContact O-CG1 3.4Å; L230-I234 PolarHBondContact O-N 3.25Å
231	M	96.8	Very high	95.6	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-65.1	-42	178.3	-65.8	-57.6	119.4	0	0	112.1	F84 L157 L161 I227 S228 G233 I234 A235 F251 A252	F84-M231 HydrophobicContact CD1-CE 4.3Å; F84-M231 HydrophobicContact CD2-CE 3.5Å; F84-M231 HydrophobicContact CE1-CE 4.37Å; F84-M231 HydrophobicContact CE2-CE 3.59Å; F84-M231 HydrophobicContact CG-CE 3.9Å; F84-M231 HydrophobicContact CZ-CE 4.04Å; L157-M231 HydrophobicContact CD2-CE 3.98Å; L157-M231 HydrophobicContact CD2-SD 4.15Å; L161-M231 HydrophobicContact CD1-CE 3.69Å; L161-M231 HydrophobicContact CD1-SD 3.65Å; I227-M231 HydrophobicContact CG2-CE 4.23Å; I227-M231 HydrophobicContact CG2-CG 3.95Å; I227-M231 VanDerWaalsContact O-CG 3.29Å; I227-M231 WeakPolarHBondContact O-CG 3.46Å; I227-M231 PolarHBondContact O-N 2.79Å; S228-M231 PolarHBondContact O-N 3.17Å; S228-M231 VanDerWaalsContact O-N 3.1Å; M231-G233 VanDerWaalsContact C-N 3.29Å; M231-G233 PolarHBondContact O-N 3.18Å; M231-I234 HydrophobicContact CE-CD1 3.65Å; M231-I234 PolarHBondContact O-N 3.34Å; M231-I234 VanDerWaalsContact O-N 3.17Å; M231-I234 HydrophobicContact SD-CD1 4.15Å; M231-A235 WeakPolarHBondContact O-CB 3.29Å; M231-A235 PolarHBondContact O-N 3.5Å; M231-F251 HydrophobicContact CG-CD1 3.89Å; M231-F251 HydrophobicContact CG-CE1 4.14Å; M231-F251 HydrophobicContact SD-CD1 4.06Å; M231-F251 HydrophobicContact SD-CE1 4.38Å; M231-A252 HydrophobicContact CB-CB 3.82Å
232	D	95.8	Very high	95.6	Very high	77 Å²	77	45 Å²	45	41%	0.412	24%	0.243	S	C	.	.	H	α-helix	trans	-60.9	-39.3	171.4	-81.1	-23.3	0	0	0	111.9	S228 A235 K236	S228-D232 PolarHBondContact O-N 3.41Å; D232-A235 PolarHBondContact O-N 3.31Å; D232-K236 VanDerWaalsContact O-CB 3.24Å; D232-K236 WeakPolarHBondContact O-CB 3.4Å; D232-K236 PolarHBondContact O-N 2.91Å
233	G	95.1	Very high	95.5	Very high	14 Å²	14	45 Å²	45	14%	0.144	25%	0.25	C	C	.	.	H	α-helix	trans	-59.2	-44	172.3	0	0	0	0	0	112.8	L229 L230 M231 F237	L229-G233 PolarHBondContact O-N 3Å; L229-G233 VanDerWaalsContact O-N 3.14Å; L230-G233 WeakPolarHBondContact O-CA 3.48Å; L230-G233 PolarHBondContact O-N 3.42Å; M231-G233 VanDerWaalsContact C-N 3.29Å; M231-G233 PolarHBondContact O-N 3.18Å; G233-F237 WeakPolarHBondContact O-CD2 3.27Å; G233-F237 PolarHBondContact O-N 3.23Å
234	I	96.5	Very high	95.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-71.5	-43.4	179.1	-61.9	158.6	0	0	0	110.7	R77 R80 I81 L157 L230 M231 K236 F237 T238 V248	R77-I234 HydrophobicContact CG-CG2 4.17Å; R80-I234 HydrophobicContact CB-CG1 3.69Å; I81-I234 HydrophobicContact CD1-CG2 3.74Å; I81-I234 HydrophobicContact CG1-CB 4.43Å; I81-I234 HydrophobicContact CG1-CD1 3.75Å; I81-I234 HydrophobicContact CG1-CG1 3.77Å; I81-I234 HydrophobicContact CG1-CG2 3.72Å; L157-I234 HydrophobicContact CD2-CD1 3.91Å; L230-I234 WeakPolarHBondContact O-CD1 3.47Å; L230-I234 VanDerWaalsContact O-CG1 3.23Å; L230-I234 WeakPolarHBondContact O-CG1 3.4Å; L230-I234 PolarHBondContact O-N 3.25Å; M231-I234 HydrophobicContact CE-CD1 3.65Å; M231-I234 PolarHBondContact O-N 3.34Å; M231-I234 VanDerWaalsContact O-N 3.17Å; M231-I234 HydrophobicContact SD-CD1 4.15Å; I234-K236 VanDerWaalsContact C-N 3.33Å; I234-K236 PolarHBondContact O-N 2.69Å; I234-F237 PolarHBondContact O-N 3.46Å; I234-T238 WeakPolarHBondContact O-CB 3.23Å; I234-T238 PolarHBondContact O-N 3.47Å; I234-T238 PolarHBondContact O-OG1 3.1Å; I234-V248 HydrophobicContact CB-CG1 4.15Å; I234-V248 HydrophobicContact CG2-CG1 3.91Å; I234-V248 HydrophobicContact CG2-CG2 4.31Å
235	A	95.5	Very high	95.4	Very high	19 Å²	19	46.5 Å²	46.5	16%	0.157	26%	0.256	C	S	.	.	H	α-helix	trans	-58.6	-43.4	176.2	0	0	0	0	0	111.6	M231 D232 F237 T238 V248	M231-A235 WeakPolarHBondContact O-CB 3.29Å; M231-A235 PolarHBondContact O-N 3.5Å; D232-A235 PolarHBondContact O-N 3.31Å; A235-F237 VanDerWaalsContact C-N 3.33Å; A235-F237 PolarHBondContact O-N 2.95Å; A235-T238 PolarHBondContact O-N 3.35Å; A235-V248 HydrophobicContact CB-CG1 4.06Å
236	K	95.2	Very high	95.4	Very high	158 Å²	158	50.1 Å²	50.1	69%	0.687	27%	0.273	S	S	*	.	H	α-helix	trans	-59.1	-40.2	176	-176.6	171.8	-175	167.4	0	112.6	K73 D232 I234	K73-K236 WeakPolarHBondContact CE-O 3.45Å; K73-K236 PolarHBondContact NZ-O 3.48Å; D232-K236 VanDerWaalsContact O-CB 3.24Å; D232-K236 WeakPolarHBondContact O-CB 3.4Å; D232-K236 PolarHBondContact O-N 2.91Å; I234-K236 VanDerWaalsContact C-N 3.33Å; I234-K236 PolarHBondContact O-N 2.69Å
237	F	94.3	Very high	95.3	Very high	42 Å²	42	49.7 Å²	49.7	18%	0.184	27%	0.273	C	S	.	.	H	α-helix	trans	-87.3	-19.1	179.8	-67.6	-57.2	0	0	0	114.5	K73 K76 R77 R80 G233 I234 A235	K73-F237 WeakPolarHBondContact CD-O 2.95Å; K73-F237 VanDerWaalsContact CE-O 3.28Å; K73-F237 WeakPolarHBondContact CE-O 3.48Å; K73-F237 HydrophobicContact CG-CD1 4.25Å; K73-F237 VanDerWaalsContact CG-O 3.28Å; K73-F237 WeakPolarHBondContact CG-O 3.23Å; K73-F237 PolarHBondContact NZ-O 2.89Å; K76-F237 HydrophobicContact CB-CB 4.34Å; K76-F237 HydrophobicContact CB-CD1 3.67Å; K76-F237 HydrophobicContact CB-CD2 4.03Å; K76-F237 HydrophobicContact CB-CE1 3.96Å; K76-F237 HydrophobicContact CB-CE2 4.28Å; K76-F237 HydrophobicContact CB-CG 3.74Å; K76-F237 HydrophobicContact CB-CZ 4.26Å; K76-F237 HydrophobicContact CD-CD1 4.15Å; K76-F237 HydrophobicContact CD-CE1 3.76Å; K76-F237 HydrophobicContact CD-CZ 4.25Å; K76-F237 HydrophobicContact CG-CE1 4.46Å; R77-F237 HydrophobicContact CB-CB 3.88Å; R80-F237 HydrophobicContact CG-CD2 4.07Å; R80-F237 HydrophobicContact CG-CE2 4.34Å; G233-F237 WeakPolarHBondContact O-CD2 3.27Å; G233-F237 PolarHBondContact O-N 3.23Å; I234-F237 PolarHBondContact O-N 3.46Å; A235-F237 VanDerWaalsContact C-N 3.33Å; A235-F237 PolarHBondContact O-N 2.95Å
238	T	94.4	Very high	95.3	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.006	27%	0.273	C	S	.	.	S	Bend	trans	-72.3	129.2	173.5	-53.2	0	0	0	0	110.4	K73 R77 I234 A235 H242 Y245	K73-T238 PolarHBondContact NZ-O 3.01Å; R77-T238 VanDerWaalsContact CD-OG1 3.27Å; R77-T238 WeakPolarHBondContact CD-OG1 3.43Å; R77-T238 PolarHBondContact NE-OG1 2.92Å; I234-T238 WeakPolarHBondContact O-CB 3.23Å; I234-T238 PolarHBondContact O-N 3.47Å; I234-T238 PolarHBondContact O-OG1 3.1Å; A235-T238 PolarHBondContact O-N 3.35Å; T238-H242 HydrophobicContact CG2-CB 3.79Å; T238-Y245 HydrophobicContact CG2-CD2 4.12Å
239	P	93.8	Very high	95.3	Very high	15 Å²	15	54.1 Å²	54.1	10%	0.097	29%	0.292	C	S	.	.			trans	-82.9	155.1	173.6	32.6	-32	0	0	0	111.1	L74 S241 H242	L74-P239 HydrophobicContact CD2-CG 3.92Å; P239-S241 PolarHBondContact O-N 2.84Å; P239-S241 VanDerWaalsContact O-N 3.11Å; P239-H242 HydrophobicContact CG-CB 3.92Å; P239-H242 WeakPolarHBondContact O-CB 3.47Å; P239-H242 PolarHBondContact O-N 3.18Å
240	Q	94	Very high	95.3	Very high	161 Å²	161	51.8 Å²	51.8	75%	0.752	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.4	-177.4	-70.5	177	-11.4	0	0	114.3	Y245	Q240-Y245 HydrophobicContact CB-CD1 4.44Å; Q240-Y245 HydrophobicContact CB-CE1 4.45Å; Q240-Y245 HydrophobicContact CG-CD1 4.23Å; Q240-Y245 HydrophobicContact CG-CE1 3.77Å; Q240-Y245 HydrophobicContact CG-CE2 4.09Å
241	S	92.5	Very high	95.3	Very high	106 Å²	106	51.1 Å²	51.1	74%	0.741	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-10.3	175.5	50.7	0	0	0	0	114.4	P239	P239-S241 PolarHBondContact O-N 2.84Å; P239-S241 VanDerWaalsContact O-N 3.11Å
242	H	94.2	Very high	95.3	Very high	11 Å²	11	51.2 Å²	51.2	5%	0.051	27%	0.274	C	S	.	.	S	Bend	trans	-83.9	134.2	-179.2	-172.8	-73.3	0	0	0	110	R77 S153 T238 P239 D244 Y245	R77-H242 PolarHBondContact NH1-CE1 3.17Å; R77-H242 VanDerWaalsContact NH1-CE1 3.3Å; R77-H242 PolarHBondContact NH1-NE2 3.27Å; R77-H242 PolarHBondContact NH2-CE1 3.41Å; S153-H242 PolarHBondContact O-CD2 2.84Å; S153-H242 PolarHBondContact O-NE2 3.44Å; T238-H242 HydrophobicContact CG2-CB 3.79Å; P239-H242 HydrophobicContact CG-CB 3.92Å; P239-H242 WeakPolarHBondContact O-CB 3.47Å; P239-H242 PolarHBondContact O-N 3.18Å; H242-D244 VanDerWaalsContact C-N 3.27Å; H242-D244 VanDerWaalsContact CE1-CB 3.48Å; H242-D244 WeakPolarHBondContact CE1-CB 3.36Å; H242-D244 WeakPolarHBondContact ND1-CB 3.46Å; H242-D244 PolarHBondContact ND1-N 2.85Å; H242-D244 PolarHBondContact O-N 3.28Å; H242-Y245 VanDerWaalsContact O-CB 3.23Å; H242-Y245 WeakPolarHBondContact O-CB 3.47Å; H242-Y245 PolarHBondContact O-N 3.14Å
243	P	94.9	Very high	95.3	Very high	85 Å²	85	52.1 Å²	52.1	55%	0.552	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-41.3	-174.2	17.5	-30.9	0	0	0	113.4	Y245	P243-Y245 PolarHBondContact O-N 3.23Å; P243-Y245 VanDerWaalsContact O-N 3.14Å
244	D	95.6	Very high	95.4	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-11.3	177.6	-154.4	34.9	0	0	0	115.9	R77 C156 L157 G158 H242 N246 A247 V248	R77-D244 IonicContact CZ-OD2 2.75Å; R77-D244 IonicContact NH2-OD2 3.39Å; R77-D244 PolarHBondContact NH2-OD2 3.23Å; C156-D244 VanDerWaalsContact CA-CG 3.47Å; C156-D244 WeakPolarHBondContact CA-OD1 3.48Å; C156-D244 HydrophobicContact CB-CB 3.97Å; C156-D244 WeakPolarHBondContact CB-OD1 3.33Å; L157-D244 PolarHBondContact N-OD1 3.4Å; L157-D244 PolarHBondContact N-OD2 2.95Å; G158-D244 PolarHBondContact N-OD1 3.04Å; H242-D244 VanDerWaalsContact C-N 3.27Å; H242-D244 VanDerWaalsContact CE1-CB 3.48Å; H242-D244 WeakPolarHBondContact CE1-CB 3.36Å; H242-D244 WeakPolarHBondContact ND1-CB 3.46Å; H242-D244 PolarHBondContact ND1-N 2.85Å; H242-D244 PolarHBondContact O-N 3.28Å; D244-N246 PolarHBondContact O-N 2.68Å; D244-A247 PolarHBondContact O-N 3Å; D244-V248 HydrophobicContact CB-CG2 4.49Å; D244-V248 VanDerWaalsContact CG-CG2 3.46Å; D244-V248 PolarHBondContact O-N 3.3Å; D244-V248 WeakPolarHBondContact OD2-CG2 3.48Å
245	Y	95.7	Very high	95.4	Very high	44 Å²	44	51.8 Å²	51.8	17%	0.173	27%	0.271	C	S	.	.	H	α-helix	trans	-58.3	-47.3	-170.2	177.7	-101.8	0	0	0	113.2	T238 Q240 H242 P243 K249	T238-Y245 HydrophobicContact CG2-CD2 4.12Å; Q240-Y245 HydrophobicContact CB-CD1 4.44Å; Q240-Y245 HydrophobicContact CB-CE1 4.45Å; Q240-Y245 HydrophobicContact CG-CD1 4.23Å; Q240-Y245 HydrophobicContact CG-CE1 3.77Å; Q240-Y245 HydrophobicContact CG-CE2 4.09Å; H242-Y245 VanDerWaalsContact O-CB 3.23Å; H242-Y245 WeakPolarHBondContact O-CB 3.47Å; H242-Y245 PolarHBondContact O-N 3.14Å; P243-Y245 PolarHBondContact O-N 3.23Å; P243-Y245 VanDerWaalsContact O-N 3.14Å; Y245-K249 HydrophobicContact CE1-CD 4.16Å; Y245-K249 WeakPolarHBondContact O-CB 3.42Å; Y245-K249 PolarHBondContact O-N 3.5Å
246	N	96	Very high	95.5	Very high	112 Å²	112	54.1 Å²	54.1	60%	0.599	28%	0.281	S	S	*	.	H	α-helix	trans	-70.3	-41	-179.1	-68.1	-28.1	0	0	0	111.4	D244 K249 E250	D244-N246 PolarHBondContact O-N 2.68Å; N246-K249 PolarHBondContact O-N 3.09Å; N246-E250 PolarHBondContact O-N 3.43Å
247	A	95.9	Very high	95.6	Very high	41 Å²	41	51.9 Å²	51.9	34%	0.339	27%	0.273	S	S	.	.	H	α-helix	trans	-66.9	-47.3	-176.7	0	0	0	0	0	112	D244 K249 F251	D244-A247 PolarHBondContact O-N 3Å; A247-K249 VanDerWaalsContact C-N 3.3Å; A247-K249 PolarHBondContact O-N 3.38Å; A247-F251 VanDerWaalsContact O-CB 3.32Å; A247-F251 WeakPolarHBondContact O-CB 3.41Å; A247-F251 PolarHBondContact O-N 3.39Å
248	V	96	Very high	95.7	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.012	27%	0.267	C	S	.	.	H	α-helix	trans	-62.3	-38.9	174.6	174.1	0	0	0	0	111.2	L157 I234 A235 D244 A252	L157-V248 HydrophobicContact CB-CG2 4.44Å; I234-V248 HydrophobicContact CB-CG1 4.15Å; I234-V248 HydrophobicContact CG2-CG1 3.91Å; I234-V248 HydrophobicContact CG2-CG2 4.31Å; A235-V248 HydrophobicContact CB-CG1 4.06Å; D244-V248 HydrophobicContact CB-CG2 4.49Å; D244-V248 VanDerWaalsContact CG-CG2 3.46Å; D244-V248 PolarHBondContact O-N 3.3Å; D244-V248 WeakPolarHBondContact OD2-CG2 3.48Å; V248-A252 VanDerWaalsContact O-CB 3.24Å; V248-A252 WeakPolarHBondContact O-CB 3.19Å; V248-A252 PolarHBondContact O-N 3.12Å
249	K	96	Very high	95.8	Very high	98 Å²	98	52.1 Å²	52.1	43%	0.426	28%	0.276	S	S	.	.	H	α-helix	trans	-68.2	-45.8	-179	-175.8	-174	173.5	-164.5	0	112.8	Y245 N246 A247 A252 K253	Y245-K249 HydrophobicContact CE1-CD 4.16Å; Y245-K249 WeakPolarHBondContact O-CB 3.42Å; Y245-K249 PolarHBondContact O-N 3.5Å; N246-K249 PolarHBondContact O-N 3.09Å; A247-K249 VanDerWaalsContact C-N 3.3Å; A247-K249 PolarHBondContact O-N 3.38Å; K249-A252 PolarHBondContact O-N 3.27Å; K249-K253 PolarHBondContact O-N 3.18Å
250	E	96.6	Very high	95.9	Very high	82 Å²	82	54.1 Å²	54.1	38%	0.383	29%	0.293	S	S	.	.	H	α-helix	trans	-70.5	-32.3	176.4	-67.5	-53	125.9	0	0	111.7	N246 K253 G254	N246-E250 PolarHBondContact O-N 3.43Å; E250-K253 PolarHBondContact O-N 3.24Å; E250-K253 IonicContact OE2-NZ 3.75Å; E250-K253 PolarHBondContact OE2-NZ 3.5Å; E250-G254 PolarHBondContact O-N 2.98Å
251	F	97.1	Very high	96	Very high	3 Å²	3	51.8 Å²	51.8	1%	0.013	28%	0.281	C	S	.	.	H	α-helix	trans	-66.9	-41.9	171.7	-169.3	-89.4	0	0	0	112.2	L161 L165 L166 I227 M231 A247 K253 G254 I255	L161-F251 HydrophobicContact CB-CD1 4.3Å; L161-F251 HydrophobicContact CB-CD2 3.98Å; L161-F251 HydrophobicContact CB-CE1 4.25Å; L161-F251 HydrophobicContact CB-CE2 3.92Å; L161-F251 HydrophobicContact CB-CG 4.18Å; L161-F251 HydrophobicContact CB-CZ 4.06Å; L161-F251 HydrophobicContact CD1-CD1 4.26Å; L161-F251 HydrophobicContact CD1-CE1 3.97Å; L161-F251 HydrophobicContact CD1-CZ 4.36Å; L161-F251 HydrophobicContact CD2-CZ 4.26Å; L161-F251 HydrophobicContact CG-CZ 4.46Å; L161-F251 WeakPolarHBondContact O-CD2 3.2Å; L165-F251 HydrophobicContact CB-CE2 4.41Å; L165-F251 HydrophobicContact CD2-CE2 4.24Å; L165-F251 HydrophobicContact CD2-CZ 4.26Å; L166-F251 HydrophobicContact CD1-CD2 4.46Å; L166-F251 HydrophobicContact CD2-CD2 4.16Å; L166-F251 HydrophobicContact CD2-CE1 4.43Å; L166-F251 HydrophobicContact CD2-CE2 3.6Å; L166-F251 HydrophobicContact CD2-CZ 3.76Å; L166-F251 HydrophobicContact CG-CD2 4.21Å; L166-F251 HydrophobicContact CG-CE2 3.9Å; I227-F251 HydrophobicContact CG2-CE1 4.27Å; M231-F251 HydrophobicContact CG-CD1 3.89Å; M231-F251 HydrophobicContact CG-CE1 4.14Å; M231-F251 HydrophobicContact SD-CD1 4.06Å; M231-F251 HydrophobicContact SD-CE1 4.38Å; A247-F251 VanDerWaalsContact O-CB 3.32Å; A247-F251 WeakPolarHBondContact O-CB 3.41Å; A247-F251 PolarHBondContact O-N 3.39Å; F251-K253 PolarHBondContact O-N 3.21Å; F251-G254 PolarHBondContact O-N 3.33Å; F251-I255 WeakPolarHBondContact O-CG2 3.44Å; F251-I255 PolarHBondContact O-N 3.13Å
252	A	96	Very high	96.1	Very high	3 Å²	3	47 Å²	47	3%	0.025	25%	0.247	C	C	.	.	H	α-helix	trans	-61.7	-40.1	174.5	0	0	0	0	0	112.3	M231 V248 K249 I255 N256	M231-A252 HydrophobicContact CB-CB 3.82Å; V248-A252 VanDerWaalsContact O-CB 3.24Å; V248-A252 WeakPolarHBondContact O-CB 3.19Å; V248-A252 PolarHBondContact O-N 3.12Å; K249-A252 PolarHBondContact O-N 3.27Å; A252-I255 WeakPolarHBondContact O-CG2 3.26Å; A252-N256 PolarHBondContact O-N 2.98Å; A252-N256 PolarHBondContact O-ND2 2.71Å
253	K	96.7	Very high	96	Very high	97 Å²	97	48.8 Å²	48.8	42%	0.422	26%	0.257	S	S	.	.	H	α-helix	trans	-64.9	-52	172	179.9	-174.2	132.5	-148.3	0	111.1	K249 E250 F251 I255 N256 E257	K249-K253 PolarHBondContact O-N 3.18Å; E250-K253 PolarHBondContact O-N 3.24Å; E250-K253 IonicContact OE2-NZ 3.75Å; E250-K253 PolarHBondContact OE2-NZ 3.5Å; F251-K253 PolarHBondContact O-N 3.21Å; K253-I255 VanDerWaalsContact C-N 3.34Å; K253-I255 PolarHBondContact O-N 3.12Å; K253-N256 WeakPolarHBondContact O-CB 3.49Å; K253-N256 PolarHBondContact O-N 2.99Å; K253-E257 WeakPolarHBondContact CE-OE1 3.34Å; K253-E257 PolarHBondContact O-N 3.17Å
254	G	97.4	Very high	95.9	Very high	7 Å²	7	47.5 Å²	47.5	7%	0.072	25%	0.245	C	C	.	.	H	α-helix	trans	-62.9	-33.9	-175.9	0	0	0	0	0	113.9	E250 F251 E257 L258	E250-G254 PolarHBondContact O-N 2.98Å; F251-G254 PolarHBondContact O-N 3.33Å; G254-E257 PolarHBondContact O-N 3.12Å; G254-L258 VanDerWaalsContact O-CB 3.24Å; G254-L258 WeakPolarHBondContact O-CB 3.48Å; G254-L258 PolarHBondContact O-N 3.13Å
255	I	96.8	Very high	95.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-71.5	-29.5	174.3	-164.1	171.5	0	0	0	112.6	L166 L224 I227 F251 A252 K253 L259	L166-I255 HydrophobicContact CD2-CB 3.97Å; L166-I255 HydrophobicContact CD2-CG1 4.39Å; L224-I255 HydrophobicContact CD2-CD1 4.18Å; I227-I255 HydrophobicContact CB-CD1 3.64Å; I227-I255 HydrophobicContact CG2-CD1 3.43Å; I227-I255 VanDerWaalsContact CG2-CD1 3.43Å; F251-I255 WeakPolarHBondContact O-CG2 3.44Å; F251-I255 PolarHBondContact O-N 3.13Å; A252-I255 WeakPolarHBondContact O-CG2 3.26Å; K253-I255 VanDerWaalsContact C-N 3.34Å; K253-I255 PolarHBondContact O-N 3.12Å; I255-L259 WeakPolarHBondContact O-CB 3.49Å; I255-L259 VanDerWaalsContact O-CG 3.27Å; I255-L259 WeakPolarHBondContact O-CG 3.49Å; I255-L259 PolarHBondContact O-N 2.91Å
256	N	96.1	Very high	95.4	Very high	67 Å²	67	51.4 Å²	51.4	36%	0.358	26%	0.262	S	S	.	.	H	α-helix	trans	-72.5	-40.7	171.8	-76.8	-57.6	0	0	0	111.8	S228 A252 K253 L258 L259 A260	S228-N256 PolarHBondContact OG-ND2 3.35Å; S228-N256 PolarHBondContact OG-OD1 2.95Å; A252-N256 PolarHBondContact O-N 2.98Å; A252-N256 PolarHBondContact O-ND2 2.71Å; K253-N256 WeakPolarHBondContact O-CB 3.49Å; K253-N256 PolarHBondContact O-N 2.99Å; N256-L258 VanDerWaalsContact C-N 3.31Å; N256-L258 PolarHBondContact O-N 3.34Å; N256-L259 PolarHBondContact O-N 3.36Å; N256-A260 PolarHBondContact O-N 3.18Å
257	E	97.1	Very high	95.1	Very high	112 Å²	112	50.7 Å²	50.7	52%	0.523	25%	0.251	S	S	.	.	H	α-helix	trans	-61.8	-39.3	171.7	-69.4	172.2	166	0	0	111.4	K253 G254 A260 K261	K253-E257 WeakPolarHBondContact CE-OE1 3.34Å; K253-E257 PolarHBondContact O-N 3.17Å; G254-E257 PolarHBondContact O-N 3.12Å; E257-A260 PolarHBondContact O-N 3.48Å; E257-K261 WeakPolarHBondContact O-CB 3.39Å; E257-K261 PolarHBondContact O-N 2.83Å
258	L	97	Very high	94.7	Very high	10 Å²	10	53.2 Å²	53.2	5%	0.052	25%	0.254	C	S	.	.	H	α-helix	trans	-62.8	-46.1	173.1	175.4	60.2	0	0	0	112.6	L166 M169 D170 L224 G254 N256 A260 K261 I262	L166-L258 HydrophobicContact CB-CD2 4.39Å; L166-L258 HydrophobicContact CD2-CD2 4.17Å; M169-L258 HydrophobicContact CB-CD2 3.75Å; D170-L258 HydrophobicContact CB-CD1 3.44Å; D170-L258 VanDerWaalsContact CB-CD1 3.44Å; D170-L258 WeakPolarHBondContact OD1-CD1 3.29Å; L224-L258 HydrophobicContact CD1-CD2 4.25Å; G254-L258 VanDerWaalsContact O-CB 3.24Å; G254-L258 WeakPolarHBondContact O-CB 3.48Å; G254-L258 PolarHBondContact O-N 3.13Å; N256-L258 VanDerWaalsContact C-N 3.31Å; N256-L258 PolarHBondContact O-N 3.34Å; L258-A260 VanDerWaalsContact C-N 3.33Å; L258-A260 PolarHBondContact O-N 3.23Å; L258-K261 PolarHBondContact O-N 3.15Å; L258-I262 HydrophobicContact CD1-CD1 3.81Å; L258-I262 HydrophobicContact CD1-CG1 4.07Å; L258-I262 HydrophobicContact CG-CD1 3.99Å; L258-I262 WeakPolarHBondContact O-CG1 3.27Å; L258-I262 PolarHBondContact O-N 2.87Å
259	L	95.8	Very high	94.3	Very high	38 Å²	38	54.8 Å²	54.8	20%	0.199	26%	0.263	C	S	.	.	H	α-helix	trans	-59.7	-43.5	176.8	-79.3	166	0	0	0	111.5	L224 P225 I255 N256 I262 N263	L224-L259 HydrophobicContact CB-CD2 3.69Å; L224-L259 HydrophobicContact CB-CG 4.33Å; P225-L259 HydrophobicContact CG-CD2 3.89Å; I255-L259 WeakPolarHBondContact O-CB 3.49Å; I255-L259 VanDerWaalsContact O-CG 3.27Å; I255-L259 WeakPolarHBondContact O-CG 3.49Å; I255-L259 PolarHBondContact O-N 2.91Å; N256-L259 PolarHBondContact O-N 3.36Å; L259-I262 PolarHBondContact O-N 3.41Å; L259-N263 WeakPolarHBondContact O-CB 3.14Å; L259-N263 PolarHBondContact O-N 2.83Å
260	A	95.8	Very high	93.8	Very high	56 Å²	56	52.1 Å²	52.1	46%	0.463	25%	0.252	S	S	.	.	H	α-helix	trans	-62.1	-46.8	173.6	0	0	0	0	0	111.8	N256 E257 L258 I262 N263 D264	N256-A260 PolarHBondContact O-N 3.18Å; E257-A260 PolarHBondContact O-N 3.48Å; L258-A260 VanDerWaalsContact C-N 3.33Å; L258-A260 PolarHBondContact O-N 3.23Å; A260-I262 PolarHBondContact O-N 3.34Å; A260-N263 PolarHBondContact O-N 3.38Å; A260-D264 WeakPolarHBondContact O-CB 3.07Å; A260-D264 PolarHBondContact O-N 2.98Å
261	K	95.9	Very high	93.3	Very high	113 Å²	113	50.9 Å²	50.9	49%	0.491	25%	0.246	S	C	.	.	H	α-helix	trans	-57.7	-44.2	177.4	-172.3	-172.5	-176.4	-171.1	0	112.2	D170 E257 L258 R265	D170-K261 WeakPolarHBondContact OD2-CE 3.16Å; D170-K261 IonicContact OD2-NZ 2.73Å; D170-K261 PolarHBondContact OD2-NZ 2.68Å; E257-K261 WeakPolarHBondContact O-CB 3.39Å; E257-K261 PolarHBondContact O-N 2.83Å; L258-K261 PolarHBondContact O-N 3.15Å; K261-R265 WeakPolarHBondContact O-CD 3.33Å; K261-R265 VanDerWaalsContact O-CG 3.23Å; K261-R265 WeakPolarHBondContact O-CG 3.36Å; K261-R265 PolarHBondContact O-N 3.39Å
262	I	95	Very high	92.8	Very high	5 Å²	5	56.6 Å²	56.6	3%	0.026	27%	0.267	C	S	.	.	H	α-helix	trans	-67.6	-46.2	177.5	-66.4	170	0	0	0	110.5	M177 L224 L258 L259 A260 D264 R265 L266	M177-I262 HydrophobicContact SD-CD1 4.43Å; M177-I262 HydrophobicContact SD-CG2 3.69Å; L224-I262 HydrophobicContact CD1-CD1 3.92Å; L258-I262 HydrophobicContact CD1-CD1 3.81Å; L258-I262 HydrophobicContact CD1-CG1 4.07Å; L258-I262 HydrophobicContact CG-CD1 3.99Å; L258-I262 WeakPolarHBondContact O-CG1 3.27Å; L258-I262 PolarHBondContact O-N 2.87Å; L259-I262 PolarHBondContact O-N 3.41Å; A260-I262 PolarHBondContact O-N 3.34Å; I262-D264 VanDerWaalsContact C-N 3.31Å; I262-D264 PolarHBondContact O-N 3.36Å; I262-R265 WeakPolarHBondContact O-CB 3.42Å; I262-R265 PolarHBondContact O-N 2.95Å; I262-R265 VanDerWaalsContact O-N 3.13Å; I262-L266 HydrophobicContact CG2-CD1 3.93Å; I262-L266 HydrophobicContact CG2-CG 4.24Å; I262-L266 WeakPolarHBondContact O-CG 3.37Å; I262-L266 PolarHBondContact O-N 3.4Å
263	N	92.1	Very high	92.4	Very high	49 Å²	49	58.6 Å²	58.6	26%	0.262	28%	0.278	S	S	.	.	H	α-helix	trans	-58.7	-43	178.4	-168.5	36.7	0	0	0	112	L259 A260 L266 R267 L735	L259-N263 WeakPolarHBondContact O-CB 3.14Å; L259-N263 PolarHBondContact O-N 2.83Å; A260-N263 PolarHBondContact O-N 3.38Å; N263-L266 PolarHBondContact O-N 3.14Å; N263-R267 WeakPolarHBondContact O-CB 3.43Å; N263-R267 PolarHBondContact O-N 3.33Å; N263-L735 VanDerWaalsContact OD1-CD1 3.27Å; N263-L735 WeakPolarHBondContact OD1-CD1 3.31Å
264	D	92.4	Very high	91.9	Very high	57 Å²	57	55 Å²	55	31%	0.305	26%	0.264	S	S	.	.	H	α-helix	trans	-63.9	-38.3	174.7	-97.5	30.8	0	0	0	113.4	A260 I262 R267 K268	A260-D264 WeakPolarHBondContact O-CB 3.07Å; A260-D264 PolarHBondContact O-N 2.98Å; I262-D264 VanDerWaalsContact C-N 3.31Å; I262-D264 PolarHBondContact O-N 3.36Å; D264-R267 VanDerWaalsContact CG-NH2 3.28Å; D264-R267 IonicContact OD1-CZ 2.85Å; D264-R267 IonicContact OD1-NH1 2.73Å; D264-R267 PolarHBondContact OD1-NH1 2.9Å; D264-R267 IonicContact OD1-NH2 3.06Å; D264-R267 PolarHBondContact OD1-NH2 2.77Å; D264-R267 IonicContact OD2-NH2 3.4Å; D264-R267 PolarHBondContact OD2-NH2 3.29Å; D264-K268 WeakPolarHBondContact O-CB 3.26Å; D264-K268 WeakPolarHBondContact O-CD 3.46Å; D264-K268 VanDerWaalsContact O-CG 3.26Å; D264-K268 WeakPolarHBondContact O-CG 3.24Å; D264-K268 PolarHBondContact O-N 2.97Å; D264-K268 IonicContact OD2-NZ 3.35Å
265	R	92	Very high	91.7	Very high	92 Å²	92	54.9 Å²	54.9	35%	0.347	26%	0.262	S	S	.	.	H	α-helix	trans	-64.2	-44.7	173.5	-75.6	164.8	56.1	-161.2	-4.1	111.3	D170 K261 I262 N269	D170-R265 PolarHBondContact O-NH1 3.03Å; D170-R265 IonicContact OD1-CZ 3.74Å; D170-R265 IonicContact OD1-NH1 3.12Å; D170-R265 PolarHBondContact OD1-NH1 2.86Å; K261-R265 WeakPolarHBondContact O-CD 3.33Å; K261-R265 VanDerWaalsContact O-CG 3.23Å; K261-R265 WeakPolarHBondContact O-CG 3.36Å; K261-R265 PolarHBondContact O-N 3.39Å; I262-R265 WeakPolarHBondContact O-CB 3.42Å; I262-R265 PolarHBondContact O-N 2.95Å; I262-R265 VanDerWaalsContact O-N 3.13Å; R265-N269 WeakPolarHBondContact O-CB 3.43Å; R265-N269 PolarHBondContact O-N 2.92Å
266	L	90.2	Very high	91.4	Very high	35 Å²	35	56.3 Å²	56.3	18%	0.183	27%	0.27	C	S	.	.	H	α-helix	trans	-63.5	-48	179.3	-66.7	172.2	0	0	0	111	M177 Q178 I262 N263 K268 N269 E270 L735	M177-L266 HydrophobicContact CB-CD1 4.14Å; M177-L266 HydrophobicContact CB-CD2 4.32Å; Q178-L266 HydrophobicContact CB-CD2 4.2Å; I262-L266 HydrophobicContact CG2-CD1 3.93Å; I262-L266 HydrophobicContact CG2-CG 4.24Å; I262-L266 WeakPolarHBondContact O-CG 3.37Å; I262-L266 PolarHBondContact O-N 3.4Å; N263-L266 PolarHBondContact O-N 3.14Å; L266-K268 PolarHBondContact O-N 3.27Å; L266-N269 WeakPolarHBondContact O-CB 3.33Å; L266-N269 PolarHBondContact O-N 2.92Å; L266-N269 VanDerWaalsContact O-N 3.13Å; L266-E270 PolarHBondContact O-N 3.14Å; L266-L735 HydrophobicContact CB-CD1 4.35Å; L266-L735 HydrophobicContact CD1-CD1 4.09Å
267	R	88.8	Confident	91.2	Very high	98 Å²	98	56 Å²	56	37%	0.37	27%	0.273	S	S	.	.	H	α-helix	trans	-59.9	-46.5	177	-169	176	67.4	-103.3	2.1	112.4	N263 D264 N269 E270 E271	N263-R267 WeakPolarHBondContact O-CB 3.43Å; N263-R267 PolarHBondContact O-N 3.33Å; D264-R267 VanDerWaalsContact CG-NH2 3.28Å; D264-R267 IonicContact OD1-CZ 2.85Å; D264-R267 IonicContact OD1-NH1 2.73Å; D264-R267 PolarHBondContact OD1-NH1 2.9Å; D264-R267 IonicContact OD1-NH2 3.06Å; D264-R267 PolarHBondContact OD1-NH2 2.77Å; D264-R267 IonicContact OD2-NH2 3.4Å; D264-R267 PolarHBondContact OD2-NH2 3.29Å; R267-N269 VanDerWaalsContact C-N 3.27Å; R267-N269 PolarHBondContact O-N 3.45Å; R267-E270 WeakPolarHBondContact O-CB 3.22Å; R267-E270 PolarHBondContact O-N 3.19Å; R267-E270 VanDerWaalsContact O-N 3.17Å; R267-E271 IonicContact NE-OE1 2.74Å; R267-E271 WeakPolarHBondContact O-CG 3.4Å; R267-E271 PolarHBondContact O-N 2.81Å
268	K	88.6	Confident	90.9	Very high	93 Å²	93	51 Å²	51	40%	0.404	25%	0.25	S	C	.	.	H	α-helix	trans	-64.2	-29.6	175.3	-72.9	167.4	-178	161.2	0	113.1	D264 L266 R272	D264-K268 WeakPolarHBondContact O-CB 3.26Å; D264-K268 WeakPolarHBondContact O-CD 3.46Å; D264-K268 VanDerWaalsContact O-CG 3.26Å; D264-K268 WeakPolarHBondContact O-CG 3.24Å; D264-K268 PolarHBondContact O-N 2.97Å; D264-K268 IonicContact OD2-NZ 3.35Å; L266-K268 PolarHBondContact O-N 3.27Å; K268-R272 VanDerWaalsContact O-CD 3.29Å; K268-R272 WeakPolarHBondContact O-CD 3.48Å; K268-R272 WeakPolarHBondContact O-CG 3.41Å; K268-R272 PolarHBondContact O-N 3.4Å
269	N	87.3	Confident	90.7	Very high	36 Å²	36	53.5 Å²	53.5	19%	0.193	26%	0.259	C	S	.	.	H	α-helix	trans	-72.4	-40.9	173.3	-178	82.2	0	0	0	111.2	Q178 R265 L266 R267 R272 L273	Q178-N269 PolarHBondContact NE2-OD1 2.98Å; R265-N269 WeakPolarHBondContact O-CB 3.43Å; R265-N269 PolarHBondContact O-N 2.92Å; L266-N269 WeakPolarHBondContact O-CB 3.33Å; L266-N269 PolarHBondContact O-N 2.92Å; L266-N269 VanDerWaalsContact O-N 3.13Å; R267-N269 VanDerWaalsContact C-N 3.27Å; R267-N269 PolarHBondContact O-N 3.45Å; N269-R272 PolarHBondContact O-N 3.04Å; N269-L273 WeakPolarHBondContact ND2-CD1 3.48Å; N269-L273 WeakPolarHBondContact O-CB 3.37Å; N269-L273 WeakPolarHBondContact O-CG 3.29Å; N269-L273 PolarHBondContact O-N 2.73Å
270	E	84.9	Confident	90.5	Very high	42 Å²	42	54.6 Å²	54.6	20%	0.196	26%	0.263	C	S	.	.	H	α-helix	trans	-62.8	-47.4	174.9	-175.9	163.8	-122.4	0	0	112.5	L266 R267 R272 L273 S274 L732 L733	L266-E270 PolarHBondContact O-N 3.14Å; R267-E270 WeakPolarHBondContact O-CB 3.22Å; R267-E270 PolarHBondContact O-N 3.19Å; R267-E270 VanDerWaalsContact O-N 3.17Å; E270-R272 VanDerWaalsContact C-N 3.29Å; E270-R272 PolarHBondContact O-N 3.13Å; E270-L273 PolarHBondContact O-N 3.04Å; E270-S274 PolarHBondContact O-N 2.96Å; E270-L732 HydrophobicContact CG-CD2 3.69Å; E270-L732 WeakPolarHBondContact OE1-CA 3.33Å; E270-L732 WeakPolarHBondContact OE1-CB 3.49Å; E270-L732 WeakPolarHBondContact OE1-CD2 3.47Å; E270-L733 PolarHBondContact OE1-N 3.32Å
271	E	87.3	Confident	90.2	Very high	55 Å²	55	53.4 Å²	53.4	26%	0.257	25%	0.247	S	C	.	.	H	α-helix	trans	-52.9	-45.9	173.5	-72.5	166.4	-160.4	0	0	111.7	R267 S274 L275	R267-E271 IonicContact NE-OE1 2.74Å; R267-E271 WeakPolarHBondContact O-CG 3.4Å; R267-E271 PolarHBondContact O-N 2.81Å; E271-S274 PolarHBondContact O-N 3.1Å; E271-L275 PolarHBondContact O-N 2.98Å
272	R	85.7	Confident	90.1	Very high	123 Å²	123	48.2 Å²	48.2	46%	0.464	23%	0.225	S	C	.	.	H	α-helix	trans	-69.5	-40.6	179.2	-72.5	168.7	-178.1	153.7	-3.2	112.9	K268 N269 E270 S274 L275 L276 S292	K268-R272 VanDerWaalsContact O-CD 3.29Å; K268-R272 WeakPolarHBondContact O-CD 3.48Å; K268-R272 WeakPolarHBondContact O-CG 3.41Å; K268-R272 PolarHBondContact O-N 3.4Å; N269-R272 PolarHBondContact O-N 3.04Å; E270-R272 VanDerWaalsContact C-N 3.29Å; E270-R272 PolarHBondContact O-N 3.13Å; R272-S274 VanDerWaalsContact C-N 3.3Å; R272-S274 PolarHBondContact O-N 3.33Å; R272-L275 PolarHBondContact O-N 2.9Å; R272-L276 WeakPolarHBondContact O-CB 3.29Å; R272-L276 PolarHBondContact O-N 2.94Å; R272-S292 PolarHBondContact NE-O 2.76Å; R272-S292 VanDerWaalsContact NE-O 3.1Å; R272-S292 PolarHBondContact NH2-O 3.27Å
273	L	87.1	Confident	90	Very high	46 Å²	46	50 Å²	50	24%	0.241	24%	0.238	C	C	.	.	H	α-helix	trans	-64.8	-35.1	174.3	-73.7	173.7	0	0	0	111.7	N269 E270 S277 L728	N269-L273 WeakPolarHBondContact ND2-CD1 3.48Å; N269-L273 WeakPolarHBondContact O-CB 3.37Å; N269-L273 WeakPolarHBondContact O-CG 3.29Å; N269-L273 PolarHBondContact O-N 2.73Å; E270-L273 PolarHBondContact O-N 3.04Å; L273-S277 WeakPolarHBondContact O-CB 3.11Å; L273-S277 PolarHBondContact O-N 3.06Å; L273-S277 PolarHBondContact O-OG 3.37Å; L273-L728 HydrophobicContact CD2-CB 4.35Å; L273-L728 HydrophobicContact CD2-CD1 4.25Å
274	S	87.6	Confident	90	Very high	20 Å²	20	50.6 Å²	50.6	14%	0.14	26%	0.256	C	S	.	.	H	α-helix	trans	-67.8	-43.2	173.7	-163.9	0	0	0	0	111.9	E270 E271 R272 S277 L278 H359	E270-S274 PolarHBondContact O-N 2.96Å; E271-S274 PolarHBondContact O-N 3.1Å; R272-S274 VanDerWaalsContact C-N 3.3Å; R272-S274 PolarHBondContact O-N 3.33Å; S274-S277 WeakPolarHBondContact O-CB 3.43Å; S274-S277 PolarHBondContact O-N 2.92Å; S274-L278 PolarHBondContact O-N 2.97Å; S274-H359 WeakPolarHBondContact CB-ND1 3.45Å; S274-H359 PolarHBondContact OG-CE1 3.17Å; S274-H359 PolarHBondContact OG-ND1 3.48Å
275	L	92.2	Very high	90	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.026	25%	0.245	C	C	.	.	H	α-helix	trans	-63.8	-40.1	174.8	-176.8	62.9	0	0	0	112.6	E271 R272 L278 Y279 L290 R294 L323	E271-L275 PolarHBondContact O-N 2.98Å; R272-L275 PolarHBondContact O-N 2.9Å; L275-L278 PolarHBondContact O-N 3.39Å; L275-Y279 PolarHBondContact O-N 3.33Å; L275-L290 HydrophobicContact CD2-CD2 4.42Å; L275-L290 HydrophobicContact CG-CD2 4.03Å; L275-R294 HydrophobicContact CD2-CB 3.96Å; L275-R294 HydrophobicContact CD2-CG 3.99Å; L275-R294 WeakPolarHBondContact CD2-O 3.27Å; L275-L323 HydrophobicContact CD1-CD1 4.33Å; L275-L323 HydrophobicContact CD1-CD2 4.05Å
276	L	91.6	Very high	90.1	Very high	31 Å²	31	45.2 Å²	45.2	16%	0.162	24%	0.237	C	C	.	.	H	α-helix	trans	-65.2	-39	174.7	-178.8	62.1	0	0	0	112	R272 Y279 H280 L290	R272-L276 WeakPolarHBondContact O-CB 3.29Å; R272-L276 PolarHBondContact O-N 2.94Å; L276-Y279 PolarHBondContact O-N 3.13Å; L276-H280 PolarHBondContact O-CD2 2.97Å; L276-H280 VanDerWaalsContact O-CD2 3.32Å; L276-H280 PolarHBondContact O-N 3.23Å; L276-H280 VanDerWaalsContact O-N 3.14Å; L276-L290 HydrophobicContact CD1-CD1 4.25Å
277	S	90.2	Very high	90.2	Very high	61 Å²	61	47.3 Å²	47.3	43%	0.427	25%	0.252	S	S	.	.	H	α-helix	trans	-62	-46.9	174.4	-59.5	0	0	0	0	110.9	L273 S274 Y279 H280 E281	L273-S277 WeakPolarHBondContact O-CB 3.11Å; L273-S277 PolarHBondContact O-N 3.06Å; L273-S277 PolarHBondContact O-OG 3.37Å; S274-S277 WeakPolarHBondContact O-CB 3.43Å; S274-S277 PolarHBondContact O-N 2.92Å; S277-Y279 VanDerWaalsContact C-N 3.35Å; S277-Y279 PolarHBondContact O-N 3.33Å; S277-H280 PolarHBondContact O-N 3.32Å; S277-H280 VanDerWaalsContact O-N 3.13Å; S277-E281 PolarHBondContact O-N 2.9Å; S277-E281 VanDerWaalsContact O-N 3.09Å
278	L	91.6	Very high	90.2	Very high	6 Å²	6	49 Å²	49	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-58.2	-43.5	175.3	-179.8	61.6	0	0	0	112.3	S274 L275 H280 E281 I282 M289 L296 F321 L323	S274-L278 PolarHBondContact O-N 2.97Å; L275-L278 PolarHBondContact O-N 3.39Å; L278-H280 VanDerWaalsContact C-N 3.31Å; L278-H280 PolarHBondContact O-N 3.4Å; L278-E281 WeakPolarHBondContact O-CB 3.48Å; L278-E281 PolarHBondContact O-N 3.19Å; L278-I282 HydrophobicContact CD1-CD1 3.75Å; L278-I282 HydrophobicContact CD1-CG1 4.08Å; L278-I282 HydrophobicContact CG-CD1 3.89Å; L278-I282 HydrophobicContact CG-CG1 4.49Å; L278-I282 WeakPolarHBondContact O-CG1 3.45Å; L278-I282 PolarHBondContact O-N 2.96Å; L278-M289 HydrophobicContact CG-CE 4.23Å; L278-L296 HydrophobicContact CD2-CD1 4.11Å; L278-L296 HydrophobicContact CD2-CD2 4.3Å; L278-F321 HydrophobicContact CD1-CD1 3.66Å; L278-F321 HydrophobicContact CD1-CD2 4.31Å; L278-F321 HydrophobicContact CD1-CE1 3.35Å; L278-F321 HydrophobicContact CD1-CE2 4.06Å; L278-F321 HydrophobicContact CD1-CG 4.12Å; L278-F321 HydrophobicContact CD1-CZ 3.57Å; L278-F321 HydrophobicContact CD2-CB 4.09Å; L278-F321 HydrophobicContact CD2-CD1 3.76Å; L278-F321 HydrophobicContact CD2-CE1 4.33Å; L278-F321 HydrophobicContact CD2-CG 3.96Å; L278-F321 HydrophobicContact CG-CD1 4.38Å; L278-F321 HydrophobicContact CG-CE1 4.49Å; L278-L323 HydrophobicContact CD2-CD2 4.25Å
279	Y	93.2	Very high	90.3	Very high	63 Å²	63	44.6 Å²	44.6	25%	0.247	25%	0.245	C	C	.	.	H	α-helix	trans	-58.6	-39.6	175.2	173.7	-98	0	0	0	112.7	L275 L276 S277 E281 A285 M289 L290	L275-Y279 PolarHBondContact O-N 3.33Å; L276-Y279 PolarHBondContact O-N 3.13Å; S277-Y279 VanDerWaalsContact C-N 3.35Å; S277-Y279 PolarHBondContact O-N 3.33Å; Y279-E281 VanDerWaalsContact C-N 3.32Å; Y279-E281 PolarHBondContact O-N 2.94Å; Y279-A285 HydrophobicContact CD2-CB 3.81Å; Y279-A285 HydrophobicContact CE2-CB 4.05Å; Y279-M289 HydrophobicContact CD2-CE 4.2Å; Y279-M289 HydrophobicContact CG-CE 4.49Å; Y279-L290 HydrophobicContact CD1-CD1 3.93Å; Y279-L290 HydrophobicContact CD2-CD1 4.16Å; Y279-L290 HydrophobicContact CD2-CD2 4.43Å; Y279-L290 HydrophobicContact CD2-CG 4.03Å; Y279-L290 HydrophobicContact CE1-CD1 4.18Å; Y279-L290 HydrophobicContact CE2-CD1 4.4Å; Y279-L290 HydrophobicContact CG-CD1 3.92Å; Y279-L290 HydrophobicContact CG-CD2 4.09Å; Y279-L290 HydrophobicContact CG-CG 4.03Å
280	H	90.9	Very high	90.5	Very high	61 Å²	61	46 Å²	46	28%	0.282	25%	0.252	S	S	.	.	H	α-helix	trans	-74	-19.9	175.6	-69.4	-43.2	0	0	0	114.1	L276 S277 L278 C414	L276-H280 PolarHBondContact O-CD2 2.97Å; L276-H280 VanDerWaalsContact O-CD2 3.32Å; L276-H280 PolarHBondContact O-N 3.23Å; L276-H280 VanDerWaalsContact O-N 3.14Å; S277-H280 PolarHBondContact O-N 3.32Å; S277-H280 VanDerWaalsContact O-N 3.13Å; L278-H280 VanDerWaalsContact C-N 3.31Å; L278-H280 PolarHBondContact O-N 3.4Å; H280-C414 PolarHBondContact O-SG 2.89Å
281	E	90.5	Very high	90.7	Very high	30 Å²	30	46.1 Å²	46.1	14%	0.14	26%	0.258	C	S	.	.	H	α-helix	trans	-82.3	-28.9	173.5	-72.3	-177.1	-163	0	0	114.4	S277 L278 Y279 S283 F361 C414 C415 Y416	S277-E281 PolarHBondContact O-N 2.9Å; S277-E281 VanDerWaalsContact O-N 3.09Å; L278-E281 WeakPolarHBondContact O-CB 3.48Å; L278-E281 PolarHBondContact O-N 3.19Å; Y279-E281 VanDerWaalsContact C-N 3.32Å; Y279-E281 PolarHBondContact O-N 2.94Å; E281-S283 PolarHBondContact O-N 3Å; E281-F361 VanDerWaalsContact OE1-CE1 3.22Å; E281-F361 WeakPolarHBondContact OE1-CE1 3.19Å; E281-F361 WeakPolarHBondContact OE1-CZ 3.3Å; E281-F361 VanDerWaalsContact OE2-CE2 3.28Å; E281-F361 WeakPolarHBondContact OE2-CE2 3.42Å; E281-F361 WeakPolarHBondContact OE2-CZ 3.35Å; E281-C414 CarbonylContact O-C 3.5Å; E281-C414 WeakPolarHBondContact O-CA 3.37Å; E281-C414 VanDerWaalsContact O-CB 3.25Å; E281-C414 WeakPolarHBondContact O-CB 3.48Å; E281-C415 PolarHBondContact O-N 3.16Å; E281-Y416 HydrophobicContact CB-CD2 4.27Å; E281-Y416 PolarHBondContact O-N 3.38Å
282	I	93.5	Very high	90.5	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	103	-178	-60.5	175.7	0	0	0	109.8	L278 G284 A285 M289 F321 E328 A330 Y416 H418	L278-I282 HydrophobicContact CD1-CD1 3.75Å; L278-I282 HydrophobicContact CD1-CG1 4.08Å; L278-I282 HydrophobicContact CG-CD1 3.89Å; L278-I282 HydrophobicContact CG-CG1 4.49Å; L278-I282 WeakPolarHBondContact O-CG1 3.45Å; L278-I282 PolarHBondContact O-N 2.96Å; I282-G284 PolarHBondContact O-N 2.92Å; I282-A285 HydrophobicContact CB-CB 3.98Å; I282-A285 HydrophobicContact CG2-CB 3.82Å; I282-A285 PolarHBondContact O-N 3.44Å; I282-M289 HydrophobicContact CD1-CE 4.29Å; I282-M289 HydrophobicContact CD1-SD 4.14Å; I282-F321 HydrophobicContact CD1-CD2 4.18Å; I282-F321 HydrophobicContact CD1-CE2 4.16Å; I282-E328 HydrophobicContact CD1-CG 3.58Å; I282-A330 HydrophobicContact CD1-CB 4.22Å; I282-A330 HydrophobicContact CG1-CB 4.38Å; I282-A330 HydrophobicContact CG2-CB 4.27Å; I282-Y416 HydrophobicContact CG1-CD2 4.46Å; I282-H418 HydrophobicContact CG2-CB 3.8Å
283	S	92.5	Very high	90.5	Very high	43 Å²	43	46.4 Å²	46.4	30%	0.301	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	111.8	178.3	-166.4	0	0	0	0	110.6	E281 Y416 K417 H418	E281-S283 PolarHBondContact O-N 3Å; S283-Y416 WeakPolarHBondContact CB-O 3.48Å; S283-Y416 PolarHBondContact N-O 3.42Å; S283-K417 WeakPolarHBondContact O-CA 3.48Å; S283-H418 PolarHBondContact O-N 2.78Å
284	G	92.7	Very high	90.7	Very high	61 Å²	61	45.5 Å²	45.5	63%	0.629	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	21.8	179.9	0	0	0	0	0	115.2	I282 H418	I282-G284 PolarHBondContact O-N 2.92Å; G284-H418 WeakPolarHBondContact O-CB 3.38Å
285	A	92.7	Very high	91	Very high	11 Å²	11	45.9 Å²	45.9	9%	0.091	28%	0.281	C	S	.	.			trans	-58.2	142.5	170.3	0	0	0	0	0	111.6	Y279 I282 M289	Y279-A285 HydrophobicContact CD2-CB 3.81Å; Y279-A285 HydrophobicContact CE2-CB 4.05Å; I282-A285 HydrophobicContact CB-CB 3.98Å; I282-A285 HydrophobicContact CG2-CB 3.82Å; I282-A285 PolarHBondContact O-N 3.44Å; A285-M289 HydrophobicContact CB-CE 4.33Å; A285-M289 HydrophobicContact CB-SD 4.13Å
286	P	92.8	Very high	91	Very high	25 Å²	25	47 Å²	47	16%	0.162	29%	0.287	C	S	.	.			trans	-66.5	141.7	174.2	25.8	-32.1	0	0	0	110.7	E288 M289 H418 L421	P286-E288 HydrophobicContact CB-CB 4.37Å; P286-E288 VanDerWaalsContact CB-OE2 3.29Å; P286-E288 WeakPolarHBondContact CB-OE2 3.38Å; P286-E288 PolarHBondContact O-N 3.07Å; P286-M289 HydrophobicContact CG-CB 4.28Å; P286-M289 WeakPolarHBondContact O-CB 3.47Å; P286-M289 PolarHBondContact O-N 3.19Å; P286-H418 VanDerWaalsContact CD-CE1 3.42Å; P286-H418 WeakPolarHBondContact CD-CE1 3.4Å; P286-L421 HydrophobicContact CG-CB 4.1Å; P286-L421 HydrophobicContact CG-CD2 3.84Å
287	P	91.8	Very high	91.1	Very high	79 Å²	79	46.7 Å²	46.7	51%	0.513	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-53.2	-32.3	169.2	-27.1	35.6	0	0	0	112.8	M289 L290	P287-M289 PolarHBondContact O-N 3.49Å; P287-L290 PolarHBondContact O-N 2.75Å
288	E	90.4	Very high	91.2	Very high	134 Å²	134	44.2 Å²	44.2	63%	0.626	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-61	-8.9	173.6	-60.2	86.9	162.2	0	0	113.8	P286 L290 R294	P286-E288 HydrophobicContact CB-CB 4.37Å; P286-E288 VanDerWaalsContact CB-OE2 3.29Å; P286-E288 WeakPolarHBondContact CB-OE2 3.38Å; P286-E288 PolarHBondContact O-N 3.07Å; E288-L290 VanDerWaalsContact C-N 3.32Å; E288-R294 PolarHBondContact O-NH1 2.81Å
289	M	90.5	Very high	91.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-73.6	-22.3	169.4	-158.8	-176.5	82.1	0	0	112.4	L278 Y279 I282 A285 P286 P287 R294 L323 E328 L421	L278-M289 HydrophobicContact CG-CE 4.23Å; Y279-M289 HydrophobicContact CD2-CE 4.2Å; Y279-M289 HydrophobicContact CG-CE 4.49Å; I282-M289 HydrophobicContact CD1-CE 4.29Å; I282-M289 HydrophobicContact CD1-SD 4.14Å; A285-M289 HydrophobicContact CB-CE 4.33Å; A285-M289 HydrophobicContact CB-SD 4.13Å; P286-M289 HydrophobicContact CG-CB 4.28Å; P286-M289 WeakPolarHBondContact O-CB 3.47Å; P286-M289 PolarHBondContact O-N 3.19Å; P287-M289 PolarHBondContact O-N 3.49Å; M289-R294 VanDerWaalsContact CA-NH1 3.27Å; M289-R294 WeakPolarHBondContact O-CD 3.34Å; M289-R294 PolarHBondContact O-NH1 2.7Å; M289-L323 HydrophobicContact CG-CD1 3.8Å; M289-E328 HydrophobicContact SD-CB 4.16Å; M289-E328 HydrophobicContact SD-CG 3.77Å; M289-L421 HydrophobicContact CB-CD2 4.3Å; M289-L421 HydrophobicContact CG-CD1 4.39Å
290	L	90.4	Very high	91.4	Very high	66 Å²	66	45.6 Å²	45.6	35%	0.346	28%	0.277	S	S	.	.			trans	-93.1	128.3	175.2	-61.9	178.6	0	0	0	110.8	L275 L276 Y279 P287 E288	L275-L290 HydrophobicContact CD2-CD2 4.42Å; L275-L290 HydrophobicContact CG-CD2 4.03Å; L276-L290 HydrophobicContact CD1-CD1 4.25Å; Y279-L290 HydrophobicContact CD1-CD1 3.93Å; Y279-L290 HydrophobicContact CD2-CD1 4.16Å; Y279-L290 HydrophobicContact CD2-CD2 4.43Å; Y279-L290 HydrophobicContact CD2-CG 4.03Å; Y279-L290 HydrophobicContact CE1-CD1 4.18Å; Y279-L290 HydrophobicContact CE2-CD1 4.4Å; Y279-L290 HydrophobicContact CG-CD1 3.92Å; Y279-L290 HydrophobicContact CG-CD2 4.09Å; Y279-L290 HydrophobicContact CG-CG 4.03Å; P287-L290 PolarHBondContact O-N 2.75Å; E288-L290 VanDerWaalsContact C-N 3.32Å
291	S	88.7	Confident	91.4	Very high	45 Å²	45	44.3 Å²	44.3	32%	0.315	27%	0.273	S	S	.	.			trans	-147.8	147.4	171.9	174.7	0	0	0	0	110	S293 R294	S291-S293 PolarHBondContact O-N 3.46Å; S291-S293 PolarHBondContact OG-N 3.27Å; S291-S293 PolarHBondContact OG-OG 3.49Å; S291-R294 PolarHBondContact O-N 3.19Å
292	S	83.2	Confident	91.5	Very high	92 Å²	92	42.9 Å²	42.9	64%	0.643	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-21.9	179.3	58.5	0	0	0	0	113.5	R272	R272-S292 PolarHBondContact NE-O 2.76Å; R272-S292 VanDerWaalsContact NE-O 3.1Å; R272-S292 PolarHBondContact NH2-O 3.27Å
293	S	86.4	Confident	91.4	Very high	92 Å²	92	43.3 Å²	43.3	64%	0.643	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	3.5	180	66.3	0	0	0	0	114.3	S291	S291-S293 PolarHBondContact O-N 3.46Å; S291-S293 PolarHBondContact OG-N 3.27Å; S291-S293 PolarHBondContact OG-OG 3.49Å
294	R	92.1	Very high	91.4	Very high	27 Å²	27	43.7 Å²	43.7	10%	0.102	27%	0.265	C	S	.	.			trans	-106.6	137	-172.3	-173.9	178.9	-65.9	155.9	-4.6	112.3	L275 E288 M289 S291 L323 S324 D325 S326	L275-R294 HydrophobicContact CD2-CB 3.96Å; L275-R294 HydrophobicContact CD2-CG 3.99Å; L275-R294 WeakPolarHBondContact CD2-O 3.27Å; E288-R294 PolarHBondContact O-NH1 2.81Å; M289-R294 VanDerWaalsContact CA-NH1 3.27Å; M289-R294 WeakPolarHBondContact O-CD 3.34Å; M289-R294 PolarHBondContact O-NH1 2.7Å; S291-R294 PolarHBondContact O-N 3.19Å; R294-L323 HydrophobicContact CG-CB 3.97Å; R294-S324 WeakPolarHBondContact CA-OG 3.4Å; R294-D325 IonicContact CZ-OD1 2.66Å; R294-D325 VanDerWaalsContact CZ-OD1 3.27Å; R294-D325 IonicContact CZ-OD2 3.3Å; R294-D325 VanDerWaalsContact NE-CG 3.34Å; R294-D325 IonicContact NE-OD1 3.4Å; R294-D325 PolarHBondContact NE-OD1 3.37Å; R294-D325 IonicContact NE-OD2 3.69Å; R294-D325 PolarHBondContact NE-OD2 3.07Å; R294-D325 IonicContact NH2-OD1 3.62Å; R294-D325 PolarHBondContact NH2-OD1 3.29Å; R294-D325 IonicContact NH2-OD2 2.96Å; R294-D325 PolarHBondContact NH2-OD2 3.24Å; R294-S326 PolarHBondContact NE-OG 3.44Å
295	S	92.3	Very high	91.2	Very high	27 Å²	27	41.4 Å²	41.4	19%	0.189	24%	0.238	C	C	.	.			trans	-125.3	161.4	171.9	58.8	0	0	0	0	111.1	L323 S324	S295-L323 CarbonylContact O-C 3.52Å; S295-L323 VanDerWaalsContact O-CA 3.29Å; S295-L323 WeakPolarHBondContact O-CA 3.43Å; S295-S324 PolarHBondContact N-OG 3.13Å; S295-S324 PolarHBondContact O-N 3.09Å
296	L	93.7	Very high	90.8	Very high	28 Å²	28	42 Å²	42	15%	0.147	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	120.9	170.4	171.5	64.3	0	0	0	108.6	L278 F321 L323	L278-L296 HydrophobicContact CD2-CD1 4.11Å; L278-L296 HydrophobicContact CD2-CD2 4.3Å; L296-F321 HydrophobicContact CD1-CB 4.06Å; L296-F321 HydrophobicContact CD1-CD1 4.08Å; L296-L323 HydrophobicContact CB-CD2 4.28Å; L296-L323 HydrophobicContact CD1-CD2 3.76Å
297	V	93	Very high	90.3	Very high	25 Å²	25	44.4 Å²	44.4	15%	0.152	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-35.1	-169.5	169	0	0	0	0	112.9	L322 R533	V297-L322 WeakPolarHBondContact CA-O 3.19Å; V297-L322 HydrophobicContact CB-CD2 4.46Å; V297-L322 HydrophobicContact CB-CG 4.14Å; V297-L322 WeakPolarHBondContact CB-O 3.27Å; V297-L322 HydrophobicContact CG1-CD2 3.93Å; V297-L322 HydrophobicContact CG1-CG 4.14Å; V297-L322 PolarHBondContact N-O 2.86Å; V297-R533 HydrophobicContact CG1-CG 3.99Å; V297-R533 PolarHBondContact O-NH1 2.97Å
298	A	93	Very high	89.6	Confident	9 Å²	9	42.8 Å²	42.8	7%	0.074	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	160	174	0	0	0	0	0	111.7	L322 F530	A298-L322 HydrophobicContact CB-CB 4.17Å; A298-L322 HydrophobicContact CB-CD2 4.43Å; A298-L322 PolarHBondContact N-O 3.03Å; A298-L322 PolarHBondContact O-N 2.95Å; A298-F530 HydrophobicContact CB-CD2 4.24Å; A298-F530 HydrophobicContact CB-CE2 4.24Å
299	K	93.1	Very high	89.2	Confident	76 Å²	76	42.1 Å²	42.1	33%	0.33	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	124.8	174.8	-179.4	-178.3	-174.5	176.2	0	109	T319 L320 F321 Y416	K299-T319 HydrophobicContact CG-CG2 3.84Å; K299-L320 WeakPolarHBondContact CA-O 3.48Å; K299-F321 HydrophobicContact CB-CD1 4.31Å; K299-F321 HydrophobicContact CB-CE1 4.49Å; K299-F321 HydrophobicContact CD-CD1 4.32Å; K299-F321 HydrophobicContact CD-CE1 3.7Å; K299-F321 HydrophobicContact CD-CZ 4.47Å; K299-F321 HydrophobicContact CG-CD1 3.96Å; K299-F321 HydrophobicContact CG-CE1 3.72Å; K299-F321 HydrophobicContact CG-CZ 4.49Å; K299-Y416 VanDerWaalsContact CE-OH 3.3Å; K299-Y416 WeakPolarHBondContact CE-OH 3.32Å; K299-Y416 PolarHBondContact NZ-OH 2.82Å; K299-Y416 VanDerWaalsContact NZ-OH 3.17Å
300	L	94.4	Very high	88.6	Confident	23 Å²	23	45.9 Å²	45.9	12%	0.12	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	132.7	177.3	-167.8	69.5	0	0	0	111.1	V302 T319 L320 F443 L462 F530	L300-V302 HydrophobicContact CB-CG1 4.44Å; L300-V302 HydrophobicContact CD2-CG1 3.55Å; L300-V302 HydrophobicContact CG-CG1 3.75Å; L300-T319 WeakPolarHBondContact O-CA 3.35Å; L300-L320 HydrophobicContact CB-CB 4.47Å; L300-L320 PolarHBondContact N-O 2.73Å; L300-L320 PolarHBondContact O-N 2.89Å; L300-F443 HydrophobicContact CD2-CE1 3.9Å; L300-F443 HydrophobicContact CD2-CZ 4.17Å; L300-L462 HydrophobicContact CD1-CD2 4.33Å; L300-L462 HydrophobicContact CD1-CG 4.23Å; L300-L462 HydrophobicContact CD2-CD1 4.09Å; L300-L462 HydrophobicContact CD2-CG 4.22Å; L300-F530 HydrophobicContact CB-CD2 3.91Å; L300-F530 HydrophobicContact CB-CE2 3.75Å; L300-F530 HydrophobicContact CB-CG 4.44Å; L300-F530 HydrophobicContact CB-CZ 4.16Å; L300-F530 HydrophobicContact CD2-CB 4.36Å; L300-F530 HydrophobicContact CD2-CD1 3.65Å; L300-F530 HydrophobicContact CD2-CD2 4.1Å; L300-F530 HydrophobicContact CD2-CE1 3.89Å; L300-F530 HydrophobicContact CD2-CE2 4.31Å; L300-F530 HydrophobicContact CD2-CG 3.77Å; L300-F530 HydrophobicContact CD2-CZ 4.21Å; L300-F530 HydrophobicContact CG-CD2 4.42Å; L300-F530 HydrophobicContact CG-CG 4.5Å
301	N	92.7	Very high	87.9	Confident	34 Å²	34	45.5 Å²	45.5	18%	0.182	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	120.9	171.6	-65.5	-64.5	0	0	0	109	T319 H343 A347 A463	N301-T319 PolarHBondContact OD1-OG1 3.49Å; N301-T319 VanDerWaalsContact OD1-OG1 3.14Å; N301-H343 PolarHBondContact OD1-CE1 2.91Å; N301-A347 HydrophobicContact CB-CB 4Å; N301-A463 HydrophobicContact CB-CB 4.06Å; N301-A463 WeakPolarHBondContact O-CB 3.39Å; N301-A463 PolarHBondContact O-N 3.06Å
302	V	92.9	Very high	87.4	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	171	-174.9	-60.8	0	0	0	0	110.6	L300 V318 L320 F443 Y460 C461	L300-V302 HydrophobicContact CB-CG1 4.44Å; L300-V302 HydrophobicContact CD2-CG1 3.55Å; L300-V302 HydrophobicContact CG-CG1 3.75Å; V302-V318 CarbonylContact C-O 3.6Å; V302-V318 HydrophobicContact CG2-CB 4Å; V302-V318 HydrophobicContact CG2-CG1 4.11Å; V302-V318 WeakPolarHBondContact CG2-O 3.42Å; V302-V318 PolarHBondContact N-O 3.29Å; V302-V318 PolarHBondContact O-N 3.34Å; V302-L320 HydrophobicContact CG1-CD1 4.09Å; V302-L320 HydrophobicContact CG1-CG 4.48Å; V302-L320 HydrophobicContact CG2-CD1 4.12Å; V302-L320 HydrophobicContact CG2-CG 3.87Å; V302-F443 HydrophobicContact CG1-CE1 4.19Å; V302-F443 HydrophobicContact CG1-CZ 4.38Å; V302-Y460 HydrophobicContact CB-CD1 4.32Å; V302-Y460 HydrophobicContact CG2-CD1 3.67Å; V302-Y460 HydrophobicContact CG2-CE1 4.31Å; V302-Y460 HydrophobicContact CG2-CG 4.3Å; V302-C461 CarbonylContact C-O 3.48Å; V302-C461 WeakPolarHBondContact CA-O 3.39Å; V302-C461 VanDerWaalsContact CB-O 3.29Å; V302-C461 WeakPolarHBondContact CB-O 3.29Å
303	F	90.4	Very high	87.2	Confident	13 Å²	13	47.4 Å²	47.4	6%	0.057	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	135.3	154.7	-69.6	-112.1	0	0	0	108.8	C315 E316 P317 P340 H343 Y460 C461 A463 F466	F303-C315 WeakPolarHBondContact CB-SG 2.9Å; F303-C315 VanDerWaalsContact CD1-SG 3.55Å; F303-E316 CarbonylContact C-O 3.57Å; F303-E316 VanDerWaalsContact CA-O 3.29Å; F303-E316 WeakPolarHBondContact CA-O 3.28Å; F303-P317 HydrophobicContact CD1-CB 4.01Å; F303-P317 HydrophobicContact CE1-CB 3.76Å; F303-P317 HydrophobicContact CE1-CG 4.26Å; F303-P317 HydrophobicContact CZ-CB 4.14Å; F303-P340 HydrophobicContact CZ-CB 4.42Å; F303-H343 AromaticContact CE2-CD2 3.8Å; F303-H343 AromaticContact CZ-CD2 3.97Å; F303-Y460 VanDerWaalsContact O-CA 3.31Å; F303-Y460 WeakPolarHBondContact O-CA 3.3Å; F303-C461 PolarHBondContact N-O 2.84Å; F303-C461 PolarHBondContact O-N 2.86Å; F303-C461 VanDerWaalsContact O-N 3.07Å; F303-A463 HydrophobicContact CD2-CB 3.88Å; F303-A463 HydrophobicContact CE2-CB 3.68Å; F303-F466 HydrophobicContact CB-CE2 4.12Å; F303-F466 HydrophobicContact CD1-CE2 4.43Å; F303-F466 AromaticContact CD2-CD2 3.74Å; F303-F466 HydrophobicContact CD2-CD2 3.74Å; F303-F466 AromaticContact CD2-CE2 3.51Å; F303-F466 HydrophobicContact CD2-CE2 3.51Å; F303-F466 AromaticContact CE2-CD2 3.73Å; F303-F466 HydrophobicContact CE2-CD2 3.73Å; F303-F466 AromaticContact CE2-CE2 3.94Å; F303-F466 HydrophobicContact CE2-CE2 3.94Å; F303-F466 HydrophobicContact CG-CD2 4.42Å; F303-F466 AromaticContact CG-CE2 3.78Å; F303-F466 HydrophobicContact CG-CE2 3.78Å; F303-F466 HydrophobicContact CZ-CD2 4.39Å
304	E	91.4	Very high	87	Confident	50 Å²	50	45.8 Å²	45.8	23%	0.234	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	121.9	171	177.8	170.8	-120.9	0	0	108.5	C315 E316 V318 R331 Y460	E304-C315 WeakPolarHBondContact O-CA 3.45Å; E304-E316 PolarHBondContact N-O 3.38Å; E304-E316 PolarHBondContact O-N 2.91Å; E304-V318 HydrophobicContact CB-CB 4.39Å; E304-V318 HydrophobicContact CB-CG2 3.78Å; E304-R331 IonicContact OE2-NH2 3.25Å; E304-R331 PolarHBondContact OE2-NH2 3.06Å; E304-Y460 HydrophobicContact CB-CD1 4.26Å; E304-Y460 HydrophobicContact CB-CE1 4Å; E304-Y460 HydrophobicContact CG-CE1 4.21Å
305	L	90.1	Very high	86.6	Confident	14 Å²	14	46.4 Å²	46.4	7%	0.073	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	140.4	-177.7	-62	170.7	0	0	0	109.8	A459 C461 F563 L565 V568	L305-A459 HydrophobicContact CB-CB 3.97Å; L305-A459 HydrophobicContact CD1-CB 4.41Å; L305-A459 PolarHBondContact N-O 3.31Å; L305-C461 HydrophobicContact CD1-CB 4.21Å; L305-F563 HydrophobicContact CB-CZ 4.14Å; L305-L565 HydrophobicContact CD1-CD1 3.7Å; L305-V568 HydrophobicContact CD2-CG1 4.28Å
306	G	84.6	Confident	86.2	Confident	22 Å²	22	49.2 Å²	49.2	23%	0.227	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.1	-172.5	177.9	0	0	0	0	0	113	T313 T314	G306-T313 WeakPolarHBondContact O-CA 3.34Å; G306-T314 VanDerWaalsContact C-OG1 3.27Å; G306-T314 PolarHBondContact N-O 3.33Å; G306-T314 PolarHBondContact O-N 3.41Å; G306-T314 PolarHBondContact O-OG1 3.36Å
307	V	80.8	Confident	86	Confident	77 Å²	77	49.2 Å²	49.2	47%	0.467	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.2	-179.9	-172.2	0	0	0	0	109.7	F563	V307-F563 HydrophobicContact CG2-CD1 3.46Å; V307-F563 VanDerWaalsContact CG2-CD1 3.46Å; V307-F563 HydrophobicContact CG2-CE1 3.99Å; V307-F563 HydrophobicContact CG2-CG 4.4Å
308	S	78.5	Confident	85.9	Confident	45 Å²	45	48 Å²	48	32%	0.315	31%	0.306	S	S	.	.			trans	-62.8	153.9	171.2	173.2	0	0	0	0	110.9	S310 G311 N312	S308-S310 PolarHBondContact O-N 3.4Å; S308-S310 PolarHBondContact OG-N 2.89Å; S308-S310 VanDerWaalsContact OG-N 3.14Å; S308-S310 PolarHBondContact OG-OG 3.01Å; S308-G311 PolarHBondContact O-N 2.91Å; S308-N312 WeakPolarHBondContact CB-O 3.48Å; S308-N312 PolarHBondContact N-O 3.02Å
309	A	80.7	Confident	86	Confident	120 Å²	120	47.6 Å²	47.6	99%	0.992	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-10.1	168.2	0	0	0	0	0	113.8
310	S	78.7	Confident	86.1	Confident	78 Å²	78	44 Å²	44	55%	0.545	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	4.3	171.5	73.9	0	0	0	0	114.7	S308 N312	S308-S310 PolarHBondContact O-N 3.4Å; S308-S310 PolarHBondContact OG-N 2.89Å; S308-S310 VanDerWaalsContact OG-N 3.14Å; S308-S310 PolarHBondContact OG-OG 3.01Å; S310-N312 PolarHBondContact O-N 3.25Å; S310-N312 PolarHBondContact O-OD1 2.96Å; S310-N312 PolarHBondContact OG-OD1 2.98Å; S310-N312 VanDerWaalsContact OG-OD1 3.12Å
311	G	75.5	Confident	86.2	Confident	59 Å²	59	42.9 Å²	42.9	61%	0.608	28%	0.281	S	S	*	.	S	Bend	trans	79.7	-8.2	-173.5	0	0	0	0	0	115.2	S308	S308-G311 PolarHBondContact O-N 2.91Å
312	N	77.5	Confident	86.4	Confident	107 Å²	107	41.3 Å²	41.3	57%	0.572	27%	0.273	S	S	*	.			trans	-75.5	137.8	179.7	-62.5	31.4	0	0	0	111.1	S308 S310	S308-N312 WeakPolarHBondContact CB-O 3.48Å; S308-N312 PolarHBondContact N-O 3.02Å; S310-N312 PolarHBondContact O-N 3.25Å; S310-N312 PolarHBondContact O-OD1 2.96Å; S310-N312 PolarHBondContact OG-OD1 2.98Å; S310-N312 VanDerWaalsContact OG-OD1 3.12Å
313	T	80.2	Confident	86.6	Confident	69 Å²	69	41.3 Å²	41.3	42%	0.423	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	138.5	170.6	52.9	0	0	0	0	111.5	G306 F563 V568	G306-T313 WeakPolarHBondContact O-CA 3.34Å; T313-F563 HydrophobicContact CG2-CB 3.47Å; T313-F563 VanDerWaalsContact CG2-CB 3.47Å; T313-F563 HydrophobicContact CG2-CD1 4.2Å; T313-F563 HydrophobicContact CG2-CD2 3.49Å; T313-F563 VanDerWaalsContact CG2-CD2 3.49Å; T313-F563 HydrophobicContact CG2-CE2 4.28Å; T313-F563 HydrophobicContact CG2-CG 3.45Å; T313-F563 VanDerWaalsContact CG2-CG 3.45Å; T313-V568 HydrophobicContact CG2-CG2 4.14Å
314	T	81.5	Confident	86.7	Confident	58 Å²	58	41.8 Å²	41.8	36%	0.356	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	138.1	178.1	57.1	0	0	0	0	110.4	G306	G306-T314 VanDerWaalsContact C-OG1 3.27Å; G306-T314 PolarHBondContact N-O 3.33Å; G306-T314 PolarHBondContact O-N 3.41Å; G306-T314 PolarHBondContact O-OG1 3.36Å
315	C	83.4	Confident	86.8	Confident	40 Å²	40	41.3 Å²	41.3	27%	0.27	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	93.1	-176.8	-174.4	0	0	0	0	108	F303 E304	F303-C315 WeakPolarHBondContact CB-SG 2.9Å; F303-C315 VanDerWaalsContact CD1-SG 3.55Å; E304-C315 WeakPolarHBondContact O-CA 3.45Å
316	E	84.5	Confident	87.1	Confident	87 Å²	87	40.8 Å²	40.8	41%	0.407	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	130.7	-174.4	-81.4	-79.2	130.6	0	0	111.1	F303 E304 V318 R331	F303-E316 CarbonylContact C-O 3.57Å; F303-E316 VanDerWaalsContact CA-O 3.29Å; F303-E316 WeakPolarHBondContact CA-O 3.28Å; E304-E316 PolarHBondContact N-O 3.38Å; E304-E316 PolarHBondContact O-N 2.91Å; E316-V318 PolarHBondContact O-N 2.96Å; E316-R331 IonicContact OE2-CZ 2.67Å; E316-R331 VanDerWaalsContact OE2-CZ 3.3Å; E316-R331 IonicContact OE2-NE 3.05Å; E316-R331 IonicContact OE2-NH1 3.96Å; E316-R331 PolarHBondContact OE2-NH1 2.67Å
317	P	88.4	Confident	87.7	Confident	27 Å²	27	39.7 Å²	39.7	18%	0.175	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	131.4	-177.9	27.5	-33.9	0	0	0	111.3	F303 P332 T337	F303-P317 HydrophobicContact CD1-CB 4.01Å; F303-P317 HydrophobicContact CE1-CB 3.76Å; F303-P317 HydrophobicContact CE1-CG 4.26Å; F303-P317 HydrophobicContact CZ-CB 4.14Å; P317-P332 HydrophobicContact CB-CG 4.41Å; P317-P332 WeakPolarHBondContact O-CD 3.48Å; P317-T337 HydrophobicContact CB-CG2 4.5Å; P317-T337 HydrophobicContact CG-CG2 4.21Å
318	V	91.8	Very high	88.4	Confident	0 Å²	0	36 Å²	36	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	150	-176.2	167.6	0	0	0	0	109.6	V302 E304 E316 L320 V329 L419	V302-V318 CarbonylContact C-O 3.6Å; V302-V318 HydrophobicContact CG2-CB 4Å; V302-V318 HydrophobicContact CG2-CG1 4.11Å; V302-V318 WeakPolarHBondContact CG2-O 3.42Å; V302-V318 PolarHBondContact N-O 3.29Å; V302-V318 PolarHBondContact O-N 3.34Å; E304-V318 HydrophobicContact CB-CB 4.39Å; E304-V318 HydrophobicContact CB-CG2 3.78Å; E316-V318 PolarHBondContact O-N 2.96Å; V318-L320 HydrophobicContact CG1-CD2 4.23Å; V318-V329 HydrophobicContact CG1-CG1 3.62Å; V318-L419 HydrophobicContact CG2-CD1 3.97Å
319	T	94.2	Very high	89.2	Confident	0 Å²	0	34 Å²	34	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.5	167.8	-58.1	0	0	0	0	108.6	K299 L300 N301 F321 A330 Y416	K299-T319 HydrophobicContact CG-CG2 3.84Å; L300-T319 WeakPolarHBondContact O-CA 3.35Å; N301-T319 PolarHBondContact OD1-OG1 3.49Å; N301-T319 VanDerWaalsContact OD1-OG1 3.14Å; T319-F321 HydrophobicContact CG2-CD2 4.11Å; T319-F321 HydrophobicContact CG2-CE1 4.06Å; T319-F321 HydrophobicContact CG2-CE2 3.54Å; T319-F321 HydrophobicContact CG2-CZ 3.52Å; T319-A330 PolarHBondContact N-O 3.23Å; T319-A330 PolarHBondContact O-N 3.23Å; T319-Y416 HydrophobicContact CG2-CE1 4.22Å; T319-Y416 WeakPolarHBondContact OG1-CE1 3.38Å
320	L	96.7	Very high	89.9	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.6	171.7	-59.4	178.6	0	0	0	108.7	K299 L300 V302 V318 L327 V329 F443 Y460 F530	K299-L320 WeakPolarHBondContact CA-O 3.48Å; L300-L320 HydrophobicContact CB-CB 4.47Å; L300-L320 PolarHBondContact N-O 2.73Å; L300-L320 PolarHBondContact O-N 2.89Å; V302-L320 HydrophobicContact CG1-CD1 4.09Å; V302-L320 HydrophobicContact CG1-CG 4.48Å; V302-L320 HydrophobicContact CG2-CD1 4.12Å; V302-L320 HydrophobicContact CG2-CG 3.87Å; V318-L320 HydrophobicContact CG1-CD2 4.23Å; L320-L327 HydrophobicContact CB-CD1 4.16Å; L320-V329 HydrophobicContact CD2-CB 4.32Å; L320-V329 HydrophobicContact CD2-CG1 3.99Å; L320-V329 HydrophobicContact CD2-CG2 3.91Å; L320-F443 HydrophobicContact CD1-CE2 4.39Å; L320-F443 HydrophobicContact CD1-CZ 3.76Å; L320-Y460 HydrophobicContact CD1-CD2 4.43Å; L320-Y460 HydrophobicContact CD2-CE1 4.32Å; L320-F530 HydrophobicContact CB-CZ 4.48Å; L320-F530 HydrophobicContact CD1-CE1 4.42Å; L320-F530 HydrophobicContact CD1-CZ 4.29Å
321	F	96.5	Very high	90.6	Very high	1 Å²	1	28.1 Å²	28.1	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	103.7	170.7	-61.6	-88.6	0	0	0	107.8	L278 I282 L296 K299 T319 L323 E328 A330 Y416	L278-F321 HydrophobicContact CD1-CD1 3.66Å; L278-F321 HydrophobicContact CD1-CD2 4.31Å; L278-F321 HydrophobicContact CD1-CE1 3.35Å; L278-F321 HydrophobicContact CD1-CE2 4.06Å; L278-F321 HydrophobicContact CD1-CG 4.12Å; L278-F321 HydrophobicContact CD1-CZ 3.57Å; L278-F321 HydrophobicContact CD2-CB 4.09Å; L278-F321 HydrophobicContact CD2-CD1 3.76Å; L278-F321 HydrophobicContact CD2-CE1 4.33Å; L278-F321 HydrophobicContact CD2-CG 3.96Å; L278-F321 HydrophobicContact CG-CD1 4.38Å; L278-F321 HydrophobicContact CG-CE1 4.49Å; I282-F321 HydrophobicContact CD1-CD2 4.18Å; I282-F321 HydrophobicContact CD1-CE2 4.16Å; L296-F321 HydrophobicContact CD1-CB 4.06Å; L296-F321 HydrophobicContact CD1-CD1 4.08Å; K299-F321 HydrophobicContact CB-CD1 4.31Å; K299-F321 HydrophobicContact CB-CE1 4.49Å; K299-F321 HydrophobicContact CD-CD1 4.32Å; K299-F321 HydrophobicContact CD-CE1 3.7Å; K299-F321 HydrophobicContact CD-CZ 4.47Å; K299-F321 HydrophobicContact CG-CD1 3.96Å; K299-F321 HydrophobicContact CG-CE1 3.72Å; K299-F321 HydrophobicContact CG-CZ 4.49Å; T319-F321 HydrophobicContact CG2-CD2 4.11Å; T319-F321 HydrophobicContact CG2-CE1 4.06Å; T319-F321 HydrophobicContact CG2-CE2 3.54Å; T319-F321 HydrophobicContact CG2-CZ 3.52Å; F321-L323 HydrophobicContact CB-CD2 4.39Å; F321-L323 PolarHBondContact O-N 3.48Å; F321-E328 HydrophobicContact CB-CB 4.2Å; F321-E328 HydrophobicContact CD2-CG 4.33Å; F321-E328 PolarHBondContact N-O 3.45Å; F321-E328 PolarHBondContact O-N 2.75Å; F321-A330 HydrophobicContact CD2-CB 4.45Å; F321-A330 HydrophobicContact CE2-CB 4.16Å; F321-Y416 HydrophobicContact CE2-CD1 4.4Å; F321-Y416 HydrophobicContact CE2-CE1 4.38Å; F321-Y416 HydrophobicContact CE2-CG 4.5Å; F321-Y416 HydrophobicContact CZ-CD1 4.5Å; F321-Y416 HydrophobicContact CZ-CD2 4.18Å; F321-Y416 HydrophobicContact CZ-CE1 4.13Å; F321-Y416 AromaticContact CZ-CE2 3.79Å; F321-Y416 HydrophobicContact CZ-CE2 3.79Å; F321-Y416 AromaticContact CZ-CZ 3.75Å
322	L	96.9	Very high	91.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	114.7	172.7	178	59	0	0	0	107.4	V297 A298 L327 L424 F530 R533 L534	V297-L322 WeakPolarHBondContact CA-O 3.19Å; V297-L322 HydrophobicContact CB-CD2 4.46Å; V297-L322 HydrophobicContact CB-CG 4.14Å; V297-L322 WeakPolarHBondContact CB-O 3.27Å; V297-L322 HydrophobicContact CG1-CD2 3.93Å; V297-L322 HydrophobicContact CG1-CG 4.14Å; V297-L322 PolarHBondContact N-O 2.86Å; A298-L322 HydrophobicContact CB-CB 4.17Å; A298-L322 HydrophobicContact CB-CD2 4.43Å; A298-L322 PolarHBondContact N-O 3.03Å; A298-L322 PolarHBondContact O-N 2.95Å; L322-L327 HydrophobicContact CB-CD1 4.14Å; L322-L327 HydrophobicContact CD1-CD1 4.31Å; L322-L424 HydrophobicContact CD1-CD1 4.09Å; L322-L424 HydrophobicContact CD1-CD2 4.04Å; L322-F530 HydrophobicContact CB-CE2 4.32Å; L322-R533 HydrophobicContact CD2-CG 4.38Å; L322-L534 HydrophobicContact CD1-CD1 3.7Å; L322-L534 HydrophobicContact CD2-CB 4.39Å; L322-L534 HydrophobicContact CD2-CD1 4.48Å
323	L	95.8	Very high	91.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	166.9	171.1	-45.5	-179.6	0	0	0	108.2	L275 L278 M289 R294 S295 L296 F321 D325 S326 E328 L421	L275-L323 HydrophobicContact CD1-CD1 4.33Å; L275-L323 HydrophobicContact CD1-CD2 4.05Å; L278-L323 HydrophobicContact CD2-CD2 4.25Å; M289-L323 HydrophobicContact CG-CD1 3.8Å; R294-L323 HydrophobicContact CG-CB 3.97Å; S295-L323 CarbonylContact O-C 3.52Å; S295-L323 VanDerWaalsContact O-CA 3.29Å; S295-L323 WeakPolarHBondContact O-CA 3.43Å; L296-L323 HydrophobicContact CB-CD2 4.28Å; L296-L323 HydrophobicContact CD1-CD2 3.76Å; F321-L323 HydrophobicContact CB-CD2 4.39Å; F321-L323 PolarHBondContact O-N 3.48Å; L323-D325 PolarHBondContact O-N 3.14Å; L323-S326 CarbonylContact C-O 3.57Å; L323-S326 WeakPolarHBondContact CA-O 3.05Å; L323-S326 WeakPolarHBondContact CB-O 3.22Å; L323-S326 PolarHBondContact N-O 2.92Å; L323-S326 VanDerWaalsContact O-O 3.13Å; L323-E328 HydrophobicContact CD1-CB 4.38Å; L323-L421 HydrophobicContact CD1-CD1 4.39Å
324	S	94	Very high	91.1	Very high	23 Å²	23	32.3 Å²	32.3	16%	0.161	16%	0.155	C	C	.	.	S	Bend	trans	-60.1	-22.4	-172.4	58.2	0	0	0	0	115.6	R294 S295 H537	R294-S324 WeakPolarHBondContact CA-OG 3.4Å; S295-S324 PolarHBondContact N-OG 3.13Å; S295-S324 PolarHBondContact O-N 3.09Å; S324-H537 PolarHBondContact O-ND1 3.07Å
325	D	93.6	Very high	90.1	Very high	40 Å²	40	40.9 Å²	40.9	21%	0.214	18%	0.181	C	C	.	.	S	Bend	trans	-133.9	-3.4	-176.9	66.6	-8.7	0	0	0	114.8	R294 L323 L424 V541	R294-D325 IonicContact CZ-OD1 2.66Å; R294-D325 VanDerWaalsContact CZ-OD1 3.27Å; R294-D325 IonicContact CZ-OD2 3.3Å; R294-D325 VanDerWaalsContact NE-CG 3.34Å; R294-D325 IonicContact NE-OD1 3.4Å; R294-D325 PolarHBondContact NE-OD1 3.37Å; R294-D325 IonicContact NE-OD2 3.69Å; R294-D325 PolarHBondContact NE-OD2 3.07Å; R294-D325 IonicContact NH2-OD1 3.62Å; R294-D325 PolarHBondContact NH2-OD1 3.29Å; R294-D325 IonicContact NH2-OD2 2.96Å; R294-D325 PolarHBondContact NH2-OD2 3.24Å; L323-D325 PolarHBondContact O-N 3.14Å; D325-L424 VanDerWaalsContact C-CG 3.49Å; D325-L424 WeakPolarHBondContact O-CG 3.41Å; D325-L424 PolarHBondContact O-N 2.92Å; D325-V541 HydrophobicContact CB-CG2 4.27Å
326	S	95.1	Very high	88.8	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	160.5	-168.6	47.3	0	0	0	0	111.8	R294 L323 L422	R294-S326 PolarHBondContact NE-OG 3.44Å; L323-S326 CarbonylContact C-O 3.57Å; L323-S326 WeakPolarHBondContact CA-O 3.05Å; L323-S326 WeakPolarHBondContact CB-O 3.22Å; L323-S326 PolarHBondContact N-O 2.92Å; L323-S326 VanDerWaalsContact O-O 3.13Å; S326-L422 CarbonylContact C-O 3.55Å; S326-L422 VanDerWaalsContact CA-O 3.24Å; S326-L422 WeakPolarHBondContact CA-O 3.42Å; S326-L422 VanDerWaalsContact CB-O 3.27Å; S326-L422 WeakPolarHBondContact CB-O 3.19Å
327	L	96.4	Very high	87.5	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	105.9	179.8	-176.4	67.9	0	0	0	108.5	L320 L322 L422 L424 I427 L445	L320-L327 HydrophobicContact CB-CD1 4.16Å; L322-L327 HydrophobicContact CB-CD1 4.14Å; L322-L327 HydrophobicContact CD1-CD1 4.31Å; L327-L422 HydrophobicContact CB-CB 4.26Å; L327-L422 HydrophobicContact CD2-CD1 4.43Å; L327-L422 PolarHBondContact N-O 3.29Å; L327-L422 PolarHBondContact O-N 2.68Å; L327-L424 HydrophobicContact CB-CD2 4.2Å; L327-I427 HydrophobicContact CD2-CD1 4.47Å; L327-L445 HydrophobicContact CD2-CD1 3.6Å
328	E	96.4	Very high	86	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	122.6	176.1	165.9	61.9	-162.7	0	0	109.6	I282 M289 F321 L323 H418 L421	I282-E328 HydrophobicContact CD1-CG 3.58Å; M289-E328 HydrophobicContact SD-CB 4.16Å; M289-E328 HydrophobicContact SD-CG 3.77Å; F321-E328 HydrophobicContact CB-CB 4.2Å; F321-E328 HydrophobicContact CD2-CG 4.33Å; F321-E328 PolarHBondContact N-O 3.45Å; F321-E328 PolarHBondContact O-N 2.75Å; L323-E328 HydrophobicContact CD1-CB 4.38Å; E328-H418 VanDerWaalsContact CD-ND1 3.26Å; E328-H418 IonicContact OE1-CE1 2.82Å; E328-H418 IonicContact OE1-CG 2.67Å; E328-H418 IonicContact OE1-ND1 3Å; E328-H418 PolarHBondContact OE1-ND1 3.22Å; E328-H418 IonicContact OE2-CE1 3.98Å; E328-H418 PolarHBondContact OE2-CE1 2.98Å; E328-H418 IonicContact OE2-ND1 3.72Å; E328-H418 PolarHBondContact OE2-ND1 3.1Å; E328-L421 HydrophobicContact CB-CD1 3.9Å
329	V	96.5	Very high	84.7	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	110.8	-178.7	-171.1	0	0	0	0	107.8	V318 L320 L419 Q420 L422	V318-V329 HydrophobicContact CG1-CG1 3.62Å; L320-V329 HydrophobicContact CD2-CB 4.32Å; L320-V329 HydrophobicContact CD2-CG1 3.99Å; L320-V329 HydrophobicContact CD2-CG2 3.91Å; V329-L419 HydrophobicContact CG1-CB 4.47Å; V329-L419 HydrophobicContact CG1-CD1 4.28Å; V329-L419 WeakPolarHBondContact O-CA 3.41Å; V329-L419 VanDerWaalsContact O-CB 3.25Å; V329-L419 WeakPolarHBondContact O-CB 3.25Å; V329-L419 PolarHBondContact O-N 2.73Å; V329-Q420 WeakPolarHBondContact CB-O 3.39Å; V329-Q420 PolarHBondContact N-O 2.97Å; V329-Q420 PolarHBondContact O-N 3.36Å; V329-L422 HydrophobicContact CG2-CD1 4.07Å
330	A	95.2	Very high	83.5	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	135.6	-173.3	0	0	0	0	0	112.9	I282 T319 F321 P332 K417	I282-A330 HydrophobicContact CD1-CB 4.22Å; I282-A330 HydrophobicContact CG1-CB 4.38Å; I282-A330 HydrophobicContact CG2-CB 4.27Å; T319-A330 PolarHBondContact N-O 3.23Å; T319-A330 PolarHBondContact O-N 3.23Å; F321-A330 HydrophobicContact CD2-CB 4.45Å; F321-A330 HydrophobicContact CE2-CB 4.16Å; A330-P332 WeakPolarHBondContact O-CD 3.16Å; A330-K417 CarbonylContact C-O 3.58Å; A330-K417 WeakPolarHBondContact CA-O 3.47Å
331	R	92.7	Very high	82.3	Confident	75 Å²	75	51.1 Å²	51.1	28%	0.283	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	116.7	178.1	-164.5	159.7	-65.2	-176.1	5.2	110.6	E304 E316 R333 Y416 K417 L419	E304-R331 IonicContact OE2-NH2 3.25Å; E304-R331 PolarHBondContact OE2-NH2 3.06Å; E316-R331 IonicContact OE2-CZ 2.67Å; E316-R331 VanDerWaalsContact OE2-CZ 3.3Å; E316-R331 IonicContact OE2-NE 3.05Å; E316-R331 IonicContact OE2-NH1 3.96Å; E316-R331 PolarHBondContact OE2-NH1 2.67Å; R331-R333 PolarHBondContact O-N 3.44Å; R331-Y416 CarbonylContact O-C 3.45Å; R331-Y416 WeakPolarHBondContact O-CA 3.45Å; R331-K417 PolarHBondContact N-O 3.14Å; R331-K417 PolarHBondContact O-N 2.84Å; R331-L419 HydrophobicContact CB-CD1 4.05Å; R331-L419 HydrophobicContact CB-CD2 4.01Å; R331-L419 HydrophobicContact CB-CG 4.07Å
332	P	88.1	Confident	81.2	Confident	11 Å²	11	52.8 Å²	52.8	7%	0.071	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	135.1	170.5	24.3	-34.1	0	0	0	110.7	P317 A330 T337 Y416	P317-P332 HydrophobicContact CB-CG 4.41Å; P317-P332 WeakPolarHBondContact O-CD 3.48Å; A330-P332 WeakPolarHBondContact O-CD 3.16Å; P332-T337 HydrophobicContact CB-CG2 3.72Å; P332-T337 HydrophobicContact CG-CG2 3.64Å; P332-Y416 HydrophobicContact CB-CD1 3.96Å; P332-Y416 HydrophobicContact CB-CE1 3.93Å
333	R	83.3	Confident	80.3	Confident	116 Å²	116	53 Å²	53	44%	0.438	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-76.3	149.8	-177.7	-59.2	170	93.2	176.6	12.3	109.8	R331 R335 F336 T337 C414 C415	R331-R333 PolarHBondContact O-N 3.44Å; R333-R335 PolarHBondContact O-N 2.9Å; R333-F336 HydrophobicContact CB-CD2 4.46Å; R333-F336 PolarHBondContact O-N 3.02Å; R333-T337 PolarHBondContact O-N 2.82Å; R333-T337 VanDerWaalsContact O-N 3.14Å; R333-C414 WeakPolarHBondContact CD-O 3.29Å; R333-C414 PolarHBondContact NH1-O 3.13Å; R333-C415 WeakPolarHBondContact CB-O 3.41Å; R333-C415 VanDerWaalsContact CG-O 3.29Å; R333-C415 WeakPolarHBondContact CG-O 3.24Å; R333-C415 PolarHBondContact N-O 3.46Å
334	K	72.4	Confident	79.7	Confident	196 Å²	196	53.1 Å²	53.1	85%	0.852	26%	0.256	S	S	*	.	H	α-helix	trans	-52.2	-19.4	-174.8	-64.1	-165.9	175.9	-167.2	0	116.5	T337	K334-T337 WeakPolarHBondContact CA-OG1 3.42Å; K334-T337 PolarHBondContact O-OG1 3.11Å
335	R	61.2	Low	79.3	Confident	238 Å²	238	53.7 Å²	53.7	90%	0.898	26%	0.257	S	S	*	.	H	α-helix	trans	-80.1	-18.1	174.5	-63.9	-174.6	-178	-175.3	0.1	114.1	R333	R333-R335 PolarHBondContact O-N 2.9Å
336	F	56.1	Low	78.9	Confident	86 Å²	86	56.9 Å²	56.9	38%	0.377	27%	0.266	S	S	.	.	H	α-helix	trans	-116.2	-19.7	-175	-65.1	-81	0	0	0	113.1	R333 R346 C415	R333-F336 HydrophobicContact CB-CD2 4.46Å; R333-F336 PolarHBondContact O-N 3.02Å; F336-R346 PolarHBondContact O-NH2 3.06Å; F336-C415 HydrophobicContact CD1-CB 4.45Å; F336-C415 HydrophobicContact CD2-CB 4.21Å; F336-C415 HydrophobicContact CE2-CB 4.29Å; F336-C415 HydrophobicContact CG-CB 4.28Å; F336-C415 HydrophobicContact CZ-CB 4.44Å
337	T	55.5	Low	78.5	Confident	14 Å²	14	57.1 Å²	57.1	9%	0.086	27%	0.268	C	S	.	.	H	α-helix	trans	-62.9	-46.4	162	54.4	0	0	0	0	110.4	P317 P332 R333 K334 R346	P317-T337 HydrophobicContact CB-CG2 4.5Å; P317-T337 HydrophobicContact CG-CG2 4.21Å; P332-T337 HydrophobicContact CB-CG2 3.72Å; P332-T337 HydrophobicContact CG-CG2 3.64Å; R333-T337 PolarHBondContact O-N 2.82Å; R333-T337 VanDerWaalsContact O-N 3.14Å; K334-T337 WeakPolarHBondContact CA-OG1 3.42Å; K334-T337 PolarHBondContact O-OG1 3.11Å; T337-R346 PolarHBondContact O-NH1 3.08Å; T337-R346 PolarHBondContact O-NH2 3.04Å
338	G	56.9	Low	78.3	Confident	39 Å²	39	57.1 Å²	57.1	40%	0.402	27%	0.268	S	S	.	.			trans	66.5	-157.1	-155.4	0	0	0	0	0	110.4
339	E	66.2	Low	77.9	Confident	129 Å²	129	58.9 Å²	58.9	60%	0.603	28%	0.277	S	S	*	.	S	Bend	trans	-63.2	150.1	165.1	-64.8	-56.7	143.7	0	0	110.9	L341 A342 H343	E339-L341 PolarHBondContact O-N 3.04Å; E339-L341 VanDerWaalsContact O-N 3.16Å; E339-A342 WeakPolarHBondContact O-CB 3.28Å; E339-A342 PolarHBondContact O-N 3.15Å; E339-H343 PolarHBondContact O-N 2.77Å
340	P	67.9	Low	77.5	Confident	72 Å²	72	60.1 Å²	60.1	47%	0.468	29%	0.287	S	S	.	.	H	α-helix	trans	-52.9	-38.3	178.7	-28	35.6	0	0	0	113.6	F303 A342 H343 A344	F303-P340 HydrophobicContact CZ-CB 4.42Å; P340-A342 VanDerWaalsContact C-N 3.3Å; P340-A342 PolarHBondContact O-N 3.12Å; P340-H343 WeakPolarHBondContact O-CB 3.39Å; P340-H343 PolarHBondContact O-N 2.97Å; P340-A344 PolarHBondContact O-N 2.95Å
341	L	70.7	Confident	77.2	Confident	29 Å²	29	61 Å²	61	15%	0.152	30%	0.295	C	S	.	.	H	α-helix	trans	-56.4	-41.4	173.5	-179.7	57.2	0	0	0	112.8	E339 A344 I345 L576 L585	E339-L341 PolarHBondContact O-N 3.04Å; E339-L341 VanDerWaalsContact O-N 3.16Å; L341-A344 PolarHBondContact O-N 3.04Å; L341-I345 HydrophobicContact CD1-CD1 3.86Å; L341-I345 HydrophobicContact CD1-CG1 4.18Å; L341-I345 HydrophobicContact CG-CD1 3.89Å; L341-I345 WeakPolarHBondContact O-CB 3.46Å; L341-I345 VanDerWaalsContact O-CG1 3.28Å; L341-I345 WeakPolarHBondContact O-CG1 3.24Å; L341-I345 PolarHBondContact O-N 3.19Å; L341-L576 HydrophobicContact CB-CD2 3.62Å; L341-L576 HydrophobicContact CD1-CB 4.33Å; L341-L576 HydrophobicContact CD1-CD2 3.93Å; L341-L576 HydrophobicContact CG-CD2 4.28Å; L341-L585 HydrophobicContact CD2-CD1 3.74Å
342	A	74.4	Confident	77	Confident	36 Å²	36	57.9 Å²	57.9	30%	0.298	28%	0.284	S	S	.	.	H	α-helix	trans	-69.9	-35.8	-179.9	0	0	0	0	0	111.2	E339 P340 R346	E339-A342 WeakPolarHBondContact O-CB 3.28Å; E339-A342 PolarHBondContact O-N 3.15Å; P340-A342 VanDerWaalsContact C-N 3.3Å; P340-A342 PolarHBondContact O-N 3.12Å; A342-R346 WeakPolarHBondContact O-CG 3.42Å; A342-R346 PolarHBondContact O-N 3.05Å; A342-R346 VanDerWaalsContact O-N 3.11Å; A342-R346 PolarHBondContact O-NH1 3.41Å
343	H	77.5	Confident	76.7	Confident	5 Å²	5	62.1 Å²	62.1	2%	0.023	30%	0.303	C	S	.	.	H	α-helix	trans	-65.1	-45.8	173.7	-173.6	55.8	0	0	0	111.2	N301 F303 E339 P340 I345 R346 A347	N301-H343 PolarHBondContact OD1-CE1 2.91Å; F303-H343 AromaticContact CE2-CD2 3.8Å; F303-H343 AromaticContact CZ-CD2 3.97Å; E339-H343 PolarHBondContact O-N 2.77Å; P340-H343 WeakPolarHBondContact O-CB 3.39Å; P340-H343 PolarHBondContact O-N 2.97Å; H343-I345 PolarHBondContact O-N 3.43Å; H343-R346 PolarHBondContact O-N 2.94Å; H343-A347 PolarHBondContact O-N 2.8Å
344	A	84.8	Confident	76.1	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.008	31%	0.311	C	S	.	.	H	α-helix	trans	-60.9	-43.5	176.6	0	0	0	0	0	112.8	P340 L341 A347 A348 A463 F466 A467	P340-A344 PolarHBondContact O-N 2.95Å; L341-A344 PolarHBondContact O-N 3.04Å; A344-A347 PolarHBondContact O-N 2.93Å; A344-A348 WeakPolarHBondContact O-CB 3.49Å; A344-A348 PolarHBondContact O-N 3.24Å; A344-A463 WeakPolarHBondContact CA-O 3.39Å; A344-A463 WeakPolarHBondContact CB-O 3.5Å; A344-F466 HydrophobicContact CB-CB 4.21Å; A344-A467 HydrophobicContact CB-CB 4.06Å
345	I	84.7	Confident	75.1	Confident	36 Å²	36	55.1 Å²	55.1	19%	0.185	29%	0.294	C	S	.	.	H	α-helix	trans	-62.7	-42.5	175.6	-70.5	168	0	0	0	111.5	L341 H343 A347 A348 L349 P478 V481	L341-I345 HydrophobicContact CD1-CD1 3.86Å; L341-I345 HydrophobicContact CD1-CG1 4.18Å; L341-I345 HydrophobicContact CG-CD1 3.89Å; L341-I345 WeakPolarHBondContact O-CB 3.46Å; L341-I345 VanDerWaalsContact O-CG1 3.28Å; L341-I345 WeakPolarHBondContact O-CG1 3.24Å; L341-I345 PolarHBondContact O-N 3.19Å; H343-I345 PolarHBondContact O-N 3.43Å; I345-A347 VanDerWaalsContact C-N 3.33Å; I345-A347 PolarHBondContact O-N 3.46Å; I345-A348 PolarHBondContact O-N 3.08Å; I345-L349 HydrophobicContact CG2-CD1 4.28Å; I345-L349 WeakPolarHBondContact O-CG 3.25Å; I345-L349 PolarHBondContact O-N 3.48Å; I345-P478 HydrophobicContact CD1-CB 4.18Å; I345-P478 HydrophobicContact CD1-CG 4.38Å; I345-P478 HydrophobicContact CG1-CB 4.29Å; I345-P478 HydrophobicContact CG1-CG 4.15Å; I345-V481 HydrophobicContact CG2-CG2 4.15Å
346	R	84.7	Confident	74	Confident	106 Å²	106	45.2 Å²	45.2	40%	0.4	27%	0.266	S	S	.	.	H	α-helix	trans	-64.8	-36.9	176.3	-71.5	-168	-50.5	-75	7.6	112.4	F336 T337 A342 H343 A350	F336-R346 PolarHBondContact O-NH2 3.06Å; T337-R346 PolarHBondContact O-NH1 3.08Å; T337-R346 PolarHBondContact O-NH2 3.04Å; A342-R346 WeakPolarHBondContact O-CG 3.42Å; A342-R346 PolarHBondContact O-N 3.05Å; A342-R346 VanDerWaalsContact O-N 3.11Å; A342-R346 PolarHBondContact O-NH1 3.41Å; H343-R346 PolarHBondContact O-N 2.94Å; R346-A350 PolarHBondContact O-N 3.21Å; R346-A350 VanDerWaalsContact O-N 3.15Å
347	A	88.2	Confident	72.8	Confident	8 Å²	8	44.9 Å²	44.9	7%	0.066	27%	0.274	C	S	.	.	H	α-helix	trans	-68.5	-38.3	174.9	0	0	0	0	0	112.4	N301 H343 A344 I345 A350 A351 A463 A464	N301-A347 HydrophobicContact CB-CB 4Å; H343-A347 PolarHBondContact O-N 2.8Å; A344-A347 PolarHBondContact O-N 2.93Å; I345-A347 VanDerWaalsContact C-N 3.33Å; I345-A347 PolarHBondContact O-N 3.46Å; A347-A350 PolarHBondContact O-N 2.97Å; A347-A351 WeakPolarHBondContact O-CB 3.35Å; A347-A351 PolarHBondContact O-N 3.02Å; A347-A463 HydrophobicContact CB-CB 3.61Å; A347-A464 HydrophobicContact CB-CB 4.03Å
348	A	90.5	Very high	71.7	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-66.1	-37.7	174.5	0	0	0	0	0	112.9	A344 I345 A351 V352 A464 A467 V481 L519	A344-A348 WeakPolarHBondContact O-CB 3.49Å; A344-A348 PolarHBondContact O-N 3.24Å; I345-A348 PolarHBondContact O-N 3.08Å; A348-A351 PolarHBondContact O-N 3.49Å; A348-V352 VanDerWaalsContact O-CG2 3.3Å; A348-V352 WeakPolarHBondContact O-CG2 3.46Å; A348-V352 PolarHBondContact O-N 3.13Å; A348-V352 VanDerWaalsContact O-N 3.1Å; A348-A464 HydrophobicContact CB-CB 4.29Å; A348-A467 HydrophobicContact CB-CB 3.9Å; A348-V481 HydrophobicContact CB-CG1 4.31Å; A348-V481 HydrophobicContact CB-CG2 4.11Å; A348-L519 HydrophobicContact CB-CD1 4.19Å
349	L	89.1	Confident	70.7	Confident	37 Å²	37	51.9 Å²	51.9	19%	0.194	30%	0.295	C	S	.	.	H	α-helix	trans	-59.9	-52.7	171.7	-73.7	170.1	0	0	0	111.2	I345 A351 V352 Q353 P480 V481 A484	I345-L349 HydrophobicContact CG2-CD1 4.28Å; I345-L349 WeakPolarHBondContact O-CG 3.25Å; I345-L349 PolarHBondContact O-N 3.48Å; L349-A351 VanDerWaalsContact C-N 3.3Å; L349-A351 PolarHBondContact O-N 3.42Å; L349-V352 PolarHBondContact O-N 2.97Å; L349-V352 VanDerWaalsContact O-N 3.08Å; L349-Q353 WeakPolarHBondContact O-CB 3.38Å; L349-Q353 VanDerWaalsContact O-CG 3.3Å; L349-Q353 WeakPolarHBondContact O-CG 3.44Å; L349-Q353 PolarHBondContact O-N 3.06Å; L349-Q353 PolarHBondContact O-OE1 2.87Å; L349-P480 HydrophobicContact CD1-CB 4.36Å; L349-P480 HydrophobicContact CD2-CB 4.26Å; L349-P480 WeakPolarHBondContact CD2-O 3.45Å; L349-V481 HydrophobicContact CD2-CG2 4.18Å; L349-V481 HydrophobicContact CG-CG2 4.19Å; L349-A484 HydrophobicContact CD2-CB 3.75Å
350	A	87.3	Confident	69	Low	28 Å²	28	51.2 Å²	51.2	23%	0.231	30%	0.296	C	S	.	.	H	α-helix	trans	-58.6	-38.7	178.3	0	0	0	0	0	113.3	R346 A347 Q353 G354 E355	R346-A350 PolarHBondContact O-N 3.21Å; R346-A350 VanDerWaalsContact O-N 3.15Å; A347-A350 PolarHBondContact O-N 2.97Å; A350-Q353 PolarHBondContact O-N 3.25Å; A350-G354 PolarHBondContact O-N 2.94Å; A350-G354 VanDerWaalsContact O-N 3.15Å; A350-E355 PolarHBondContact O-N 3.25Å
351	A	89.1	Confident	67.2	Low	20 Å²	20	52.6 Å²	52.6	17%	0.165	30%	0.295	C	S	.	.	H	α-helix	trans	-65	-36.2	175.7	0	0	0	0	0	113.1	A347 A348 L349 A464 A526	A347-A351 WeakPolarHBondContact O-CB 3.35Å; A347-A351 PolarHBondContact O-N 3.02Å; A348-A351 PolarHBondContact O-N 3.49Å; L349-A351 VanDerWaalsContact C-N 3.3Å; L349-A351 PolarHBondContact O-N 3.42Å; A351-A464 HydrophobicContact CB-CB 4.28Å; A351-A526 HydrophobicContact CB-CB 3.86Å
352	V	87.9	Confident	65.3	Low	8 Å²	8	56.4 Å²	56.4	5%	0.048	32%	0.315	C	S	.	.	H	α-helix	trans	-78.5	-31.6	176.8	171.1	0	0	0	0	112.2	A348 L349 G354 V481 A484 V485 A488 L519 C522	A348-V352 VanDerWaalsContact O-CG2 3.3Å; A348-V352 WeakPolarHBondContact O-CG2 3.46Å; A348-V352 PolarHBondContact O-N 3.13Å; A348-V352 VanDerWaalsContact O-N 3.1Å; L349-V352 PolarHBondContact O-N 2.97Å; L349-V352 VanDerWaalsContact O-N 3.08Å; V352-G354 VanDerWaalsContact C-N 3.3Å; V352-V481 HydrophobicContact CG2-CG1 4.35Å; V352-A484 HydrophobicContact CG1-CB 3.87Å; V352-V485 HydrophobicContact CB-CG2 4.39Å; V352-V485 HydrophobicContact CG1-CB 4.38Å; V352-V485 HydrophobicContact CG1-CG2 3.74Å; V352-V485 HydrophobicContact CG2-CG2 3.66Å; V352-A488 HydrophobicContact CG1-CB 4.21Å; V352-L519 HydrophobicContact CG2-CD1 3.77Å; V352-C522 HydrophobicContact CG2-CB 3.92Å
353	Q	83.3	Confident	63.1	Low	100 Å²	100	57.5 Å²	57.5	47%	0.467	33%	0.331	S	S	.	.	H	α-helix	trans	-77.9	-12.8	177.8	-69.3	170.9	-99.6	0	0	113.3	L349 A350 E355	L349-Q353 WeakPolarHBondContact O-CB 3.38Å; L349-Q353 VanDerWaalsContact O-CG 3.3Å; L349-Q353 WeakPolarHBondContact O-CG 3.44Å; L349-Q353 PolarHBondContact O-N 3.06Å; L349-Q353 PolarHBondContact O-OE1 2.87Å; A350-Q353 PolarHBondContact O-N 3.25Å; Q353-E355 VanDerWaalsContact C-N 3.33Å; Q353-E355 HydrophobicContact CB-CG 4.06Å
354	G	68.9	Low	60.8	Low	59 Å²	59	64.4 Å²	64.4	61%	0.608	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	18.7	-179.1	0	0	0	0	0	114.3	A350 V352 G356	A350-G354 PolarHBondContact O-N 2.94Å; A350-G354 VanDerWaalsContact O-N 3.15Å; V352-G354 VanDerWaalsContact C-N 3.3Å; G354-G356 PolarHBondContact O-N 3.2Å
355	E	51.4	Low	58.2	Low	107 Å²	107	72.6 Å²	72.6	50%	0.5	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	57.6	-175.4	-69.5	-172.6	168.3	0	0	113.2	A350 Q353	A350-E355 PolarHBondContact O-N 3.25Å; Q353-E355 VanDerWaalsContact C-N 3.33Å; Q353-E355 HydrophobicContact CB-CG 4.06Å
356	G	38.5	Very low	55.5	Low	30 Å²	30	78.1 Å²	78.1	31%	0.309	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-18.9	163.9	0	0	0	0	0	113.1	G354 R533	G354-G356 PolarHBondContact O-N 3.2Å; G356-R533 PolarHBondContact O-NH1 3.25Å
357	S	31.5	Very low	52.8	Low	78 Å²	78	82.1 Å²	82.1	55%	0.545	46%	0.459	S	S	.	.	S	Bend	trans	-157.7	92.3	-176.9	33.9	0	0	0	0	112.5	R533	S357-R533 PolarHBondContact OG-NH2 3.07Å
358	E	32.8	Very low	50	Low	135 Å²	135	87.6 Å²	87.6	63%	0.631	49%	0.491	S	S	*	.	S	Bend	trans	-169.7	153.3	140	-81.3	-126.5	122.5	0	0	107.4	N360	E358-N360 PolarHBondContact O-N 2.63Å
359	H	35.8	Very low	47	Very low	65 Å²	65	92.3 Å²	92.3	30%	0.301	52%	0.524	S	S	.	.			trans	-83.9	64.8	-171.2	-81.4	-93.9	0	0	0	114.2	S274 L732	S274-H359 WeakPolarHBondContact CB-ND1 3.45Å; S274-H359 PolarHBondContact OG-CE1 3.17Å; S274-H359 PolarHBondContact OG-ND1 3.48Å; H359-L732 WeakPolarHBondContact O-CD1 3.33Å
360	N	29	Very low	44.3	Very low	115 Å²	115	98 Å²	98	62%	0.615	55%	0.553	S	S	*	*			trans	-103.6	92.2	170.8	-78.7	-42.9	0	0	0	112.3	E358 D362	E358-N360 PolarHBondContact O-N 2.63Å; N360-D362 VanDerWaalsContact C-N 3.28Å; N360-D362 PolarHBondContact O-N 3.06Å; N360-D362 VanDerWaalsContact O-N 3.13Å
361	F	30.8	Very low	41.8	Very low	101 Å²	101	103.9 Å²	103.9	44%	0.443	58%	0.581	S	S	.	*			trans	-85	68.7	169.7	-156.5	-76.3	0	0	0	110.6	E281 G363	E281-F361 VanDerWaalsContact OE1-CE1 3.22Å; E281-F361 WeakPolarHBondContact OE1-CE1 3.19Å; E281-F361 WeakPolarHBondContact OE1-CZ 3.3Å; E281-F361 VanDerWaalsContact OE2-CE2 3.28Å; E281-F361 WeakPolarHBondContact OE2-CE2 3.42Å; E281-F361 WeakPolarHBondContact OE2-CZ 3.35Å; F361-G363 PolarHBondContact O-N 3.37Å
362	D	31.7	Very low	38.8	Very low	109 Å²	109	106.9 Å²	106.9	58%	0.583	61%	0.614	S	S	*	*			trans	-80.2	91.9	-170.4	-158.1	32.3	0	0	0	112.9	N360 N364 H365	N360-D362 VanDerWaalsContact C-N 3.28Å; N360-D362 PolarHBondContact O-N 3.06Å; N360-D362 VanDerWaalsContact O-N 3.13Å; D362-N364 PolarHBondContact O-N 2.79Å; D362-N364 VanDerWaalsContact O-N 3.16Å; D362-H365 IonicContact OD2-CE1 2.68Å; D362-H365 PolarHBondContact OD2-CE1 3.35Å; D362-H365 IonicContact OD2-CG 3.74Å; D362-H365 IonicContact OD2-ND1 2.7Å; D362-H365 PolarHBondContact OD2-ND1 3.02Å
363	G	27	Very low	36.2	Very low	60 Å²	60	110.2 Å²	110.2	62%	0.619	65%	0.649	S	S	*	*			trans	-80	87.1	-179.7	0	0	0	0	0	113.3	F361	F361-G363 PolarHBondContact O-N 3.37Å
364	N	29.6	Very low	33.5	Very low	149 Å²	149	108.9 Å²	108.9	80%	0.797	66%	0.662	S	S	*	*			trans	77.2	95	-176.5	-59.7	-18.2	0	0	0	115.3	D362 D366	D362-N364 PolarHBondContact O-N 2.79Å; D362-N364 VanDerWaalsContact O-N 3.16Å; N364-D366 PolarHBondContact O-N 2.91Å
365	H	29.8	Very low	31.9	Very low	174 Å²	174	112.2 Å²	112.2	81%	0.806	68%	0.676	S	S	*	*			trans	-54.1	117	142.4	-99.9	27.2	0	0	0	110	D362	D362-H365 IonicContact OD2-CE1 2.68Å; D362-H365 PolarHBondContact OD2-CE1 3.35Å; D362-H365 IonicContact OD2-CG 3.74Å; D362-H365 IonicContact OD2-ND1 2.7Å; D362-H365 PolarHBondContact OD2-ND1 3.02Å
366	D	28.3	Very low	31	Very low	151 Å²	151	112.4 Å²	112.4	81%	0.807	69%	0.69	S	S	*	*			trans	-121.4	140.3	165.4	-153.5	-11.1	0	0	0	109.5	N364 T368	N364-D366 PolarHBondContact O-N 2.91Å; D366-T368 PolarHBondContact O-N 2.95Å
367	Q	27.7	Very low	30.9	Very low	191 Å²	191	116.5 Å²	116.5	89%	0.893	71%	0.713	S	S	*	*			trans	-87.9	95.6	-159.8	-67	-177.6	5.3	0	0	113.4
368	T	28.9	Very low	31	Very low	123 Å²	123	120 Å²	120	76%	0.755	73%	0.726	S	S	*	*			trans	-100.4	74	168.2	58.4	0	0	0	0	112.4	D366 I370	D366-T368 PolarHBondContact O-N 2.95Å; T368-I370 PolarHBondContact O-N 2.79Å; T368-I370 VanDerWaalsContact O-N 3.1Å
369	S	28.7	Very low	31.1	Very low	99 Å²	99	118.7 Å²	118.7	69%	0.692	73%	0.729	S	S	*	*			trans	-69.4	100.6	167.6	-179.5	0	0	0	0	110.5	N371	S369-N371 PolarHBondContact O-N 3.32Å
370	I	32.9	Very low	30.8	Very low	157 Å²	157	120.4 Å²	120.4	81%	0.805	75%	0.748	S	S	*	*			trans	-93.4	81.5	173.8	-54.6	-178.7	0	0	0	108.7	T368 G372	T368-I370 PolarHBondContact O-N 2.79Å; T368-I370 VanDerWaalsContact O-N 3.1Å; I370-G372 PolarHBondContact O-N 3.19Å
371	N	33.4	Very low	30.9	Very low	151 Å²	151	122 Å²	122	81%	0.807	76%	0.762	S	S	*	*			trans	-68.7	94.2	176.4	-103.7	-23.8	0	0	0	111.4	S369 G373	S369-N371 PolarHBondContact O-N 3.32Å; N371-G373 VanDerWaalsContact C-N 3.32Å; N371-G373 PolarHBondContact O-N 2.79Å
372	G	27.2	Very low	30.9	Very low	83 Å²	83	124.4 Å²	124.4	86%	0.856	78%	0.78	S	S	*	*			trans	-74.2	73.6	173.9	0	0	0	0	0	113.3	I370	I370-G372 PolarHBondContact O-N 3.19Å
373	G	32	Very low	30.8	Very low	77 Å²	77	125.5 Å²	125.5	79%	0.794	79%	0.791	S	S	*	*			trans	-106.4	102.3	177.6	0	0	0	0	0	112.9	N371	N371-G373 VanDerWaalsContact C-N 3.32Å; N371-G373 PolarHBondContact O-N 2.79Å
374	G	27.5	Very low	30.9	Very low	72 Å²	72	126.7 Å²	126.7	74%	0.742	80%	0.795	S	S	*	*			trans	-107.5	128.7	177.4	0	0	0	0	0	113.4
375	S	36.1	Very low	30.9	Very low	129 Å²	129	127 Å²	127	90%	0.902	80%	0.796	S	S	*	*			trans	-163.2	148.4	154.5	-85.3	0	0	0	0	111.9
376	S	31.9	Very low	30.9	Very low	112 Å²	112	124 Å²	124	78%	0.783	80%	0.795	S	S	*	*			trans	-71.4	141.9	-174.8	51.8	0	0	0	0	115.1
377	S	35.7	Very low	31	Very low	115 Å²	115	120.1 Å²	120.1	80%	0.804	79%	0.79	S	S	*	*				174.7	143.7	100.1	54.4	0	0	0	0	115.5
378	N	33.3	Very low	31.1	Very low	152 Å²	152	117.5 Å²	117.5	81%	0.813	79%	0.787	S	S	*	*			trans	-38	172.6	169.1	-60.1	-11.2	0	0	0	118.3
379	P	36.6	Very low	31	Very low	107 Å²	107	116.4 Å²	116.4	70%	0.695	78%	0.784	S	S	*	*			cis	-143.4	176.8	-43.8	39.9	-22.7	0	0	0	114.6
380	S	28.4	Very low	31.2	Very low	101 Å²	101	117.3 Å²	117.3	71%	0.706	79%	0.785	S	S	*	*			trans	46.3	118.5	146.1	63.6	0	0	0	0	122.2
381	T	31.8	Very low	31.1	Very low	148 Å²	148	115 Å²	115	91%	0.908	78%	0.783	S	S	*	*				-158.2	158.2	123.3	3	0	0	0	0	111.4
382	N	29.2	Very low	30.9	Very low	153 Å²	153	118.5 Å²	118.5	82%	0.818	79%	0.785	S	S	*	*			trans	-82	162.1	-174.2	-66.2	-42.2	0	0	0	113
383	T	30.3	Very low	31.2	Very low	131 Å²	131	121.6 Å²	121.6	80%	0.804	79%	0.787	S	S	*	*				156	117.5	112.6	-66.2	0	0	0	0	112.6
384	A	29.7	Very low	31.1	Very low	86 Å²	86	121 Å²	121	71%	0.711	78%	0.781	S	S	*	*			trans	34.5	152.7	138.6	0	0	0	0	0	122.7
385	L	30.4	Very low	31.3	Very low	154 Å²	154	124.1 Å²	124.1	81%	0.806	79%	0.791	S	S	*	*			cis	-163.6	150.4	11.7	-125.5	161.7	0	0	0	112.2
386	S	29	Very low	30.9	Very low	113 Å²	113	121.3 Å²	121.3	79%	0.79	78%	0.783	S	S	*	*			trans	58.5	147	146.7	61.9	0	0	0	0	124.1
387	G	29.7	Very low	30.8	Very low	68 Å²	68	121 Å²	121	70%	0.701	79%	0.788	S	S	*	*			trans	113.1	57.6	151.3	0	0	0	0	0	117.2
388	V	29.5	Very low	30.5	Very low	136 Å²	136	121.7 Å²	121.7	82%	0.824	79%	0.792	S	S	*	*				66.5	105.3	90.7	-176.5	0	0	0	0	115.6
389	S	28.1	Very low	30.3	Very low	100 Å²	100	116.5 Å²	116.5	70%	0.699	77%	0.774	S	S	*	*			trans	-20.1	169.3	155.7	52.9	0	0	0	0	120.3
390	V	31.4	Very low	29.9	Very low	118 Å²	118	118.1 Å²	118.1	72%	0.715	78%	0.783	S	S	*	*			cis	-163.1	133.1	47.5	172.4	0	0	0	0	113.7
391	S	31.7	Very low	30.1	Very low	109 Å²	109	116.6 Å²	116.6	76%	0.762	77%	0.772	S	S	*	*			trans	58	173.5	156.2	-56.4	0	0	0	0	118.8
392	R	29.5	Very low	30.3	Very low	225 Å²	225	115.8 Å²	115.8	85%	0.849	77%	0.767	S	S	*	*			cis	-159.6	170.2	19.5	-147.5	168.4	-164.8	-152.7	1.9	110.9
393	T	33	Very low	30.6	Very low	147 Å²	147	112.2 Å²	112.2	90%	0.902	75%	0.75	S	S	*	*			trans	67.3	148.2	179.5	78.8	0	0	0	0	115.9
394	G	30.2	Very low	30.7	Very low	64 Å²	64	111.9 Å²	111.9	66%	0.66	74%	0.743	S	S	*	*			cis	175.2	145.5	-13.4	0	0	0	0	0	112.3
395	S	32	Very low	30.8	Very low	138 Å²	138	112.5 Å²	112.5	97%	0.965	73%	0.734	S	S	*	*			trans	55.3	131.3	168.6	-54.9	0	0	0	0	119.1
396	G	27.9	Very low	30.7	Very low	71 Å²	71	106.8 Å²	106.8	73%	0.732	71%	0.713	S	S	*	*			cis	167.8	171.4	-5.5	0	0	0	0	0	112.3
397	A	29.1	Very low	30.7	Very low	106 Å²	106	109.8 Å²	109.8	88%	0.876	72%	0.719	S	S	*	*			trans	63.1	55.5	161	0	0	0	0	0	120.4
398	S	29.1	Very low	30.7	Very low	129 Å²	129	115.5 Å²	115.5	90%	0.902	73%	0.729	S	S	*	*			trans	-93.8	71.4	152.3	-67.2	0	0	0	0	110.5	T400	S398-T400 PolarHBondContact O-N 2.89Å
399	G	30.1	Very low	30.7	Very low	42 Å²	42	118.8 Å²	118.8	43%	0.433	74%	0.736	S	S	.	*			trans	-83.4	106.9	175.8	0	0	0	0	0	111.3	R413	G399-R413 PolarHBondContact O-NH2 2.81Å
400	T	28.9	Very low	31.1	Very low	142 Å²	142	117 Å²	117	87%	0.871	73%	0.733	S	S	*	*			trans	-70.5	117.1	165.3	39.1	0	0	0	0	109	S398	S398-T400 PolarHBondContact O-N 2.89Å
401	S	30.7	Very low	31.9	Very low	68 Å²	68	121.1 Å²	121.1	48%	0.476	74%	0.741	S	S	.	*			trans	-126.8	82.3	179	61.5	0	0	0	0	109.7
402	V	37.6	Very low	32.8	Very low	132 Å²	132	119.6 Å²	119.6	80%	0.8	72%	0.722	S	S	*	*			trans	-62.7	134.6	154.3	-163.1	0	0	0	0	106.1	N404	V402-N404 PolarHBondContact O-N 2.86Å
403	V	34.5	Very low	34.4	Very low	77 Å²	77	115.8 Å²	115.8	47%	0.467	71%	0.708	S	S	.	*			trans	-80	80.6	-164.6	-77.9	0	0	0	0	112.5	L405	V403-L405 PolarHBondContact O-N 2.83Å
404	N	33.3	Very low	36.3	Very low	124 Å²	124	110 Å²	110	66%	0.663	67%	0.673	S	S	*	*			trans	-64.7	97.8	171.1	-150.8	64.9	0	0	0	109.8	V402 G406	V402-N404 PolarHBondContact O-N 2.86Å; N404-G406 PolarHBondContact ND2-O 2.93Å; N404-G406 PolarHBondContact O-N 3.21Å
405	L	30.6	Very low	38.9	Very low	99 Å²	99	107.9 Å²	107.9	52%	0.518	65%	0.648	S	S	.	*			trans	-79.1	45.9	-177.7	-149.2	77.2	0	0	0	112.1	V403	V403-L405 PolarHBondContact O-N 2.83Å
406	G	28.2	Very low	41.7	Very low	35 Å²	35	102.4 Å²	102.4	36%	0.361	61%	0.606	S	S	.	*	S	Bend	trans	-152.2	117.8	-178.1	0	0	0	0	0	110.9	N404	N404-G406 PolarHBondContact ND2-O 2.93Å; N404-G406 PolarHBondContact O-N 3.21Å
407	L	30.1	Very low	44.9	Very low	176 Å²	176	104.3 Å²	104.3	92%	0.921	60%	0.595	S	S	*	*	S	Bend	trans	22.2	91.2	171.7	-78.1	71.8	0	0	0	117.2
408	M	30.2	Very low	48	Very low	187 Å²	187	101.2 Å²	101.2	92%	0.921	56%	0.562	S	S	*	*			trans	-167.4	149.7	146.4	-98.6	-81	152.4	0	0	109.5	G410	M408-G410 PolarHBondContact O-N 3.03Å
409	E	29.6	Very low	51.1	Low	206 Å²	206	97.6 Å²	97.6	96%	0.963	53%	0.532	S	S	*	.			trans	-77.1	43.3	-170.9	-64.3	-177.8	100.5	0	0	115.1
410	G	35.6	Very low	54.2	Low	62 Å²	62	99.3 Å²	99.3	64%	0.639	53%	0.529	S	S	*	.			trans	-77.9	131.3	169.9	0	0	0	0	0	111.7	M408 Q412	M408-G410 PolarHBondContact O-N 3.03Å; G410-Q412 PolarHBondContact O-N 3.03Å
411	K	47.2	Very low	57.3	Low	204 Å²	204	94.5 Å²	94.5	89%	0.887	50%	0.498	S	S	*	.			trans	-69	101.5	169.9	-84.2	-179.7	174.5	172.5	0	110.3	R413	K411-R413 PolarHBondContact O-N 2.88Å
412	Q	52.5	Low	60.3	Low	78 Å²	78	91.4 Å²	91.4	36%	0.364	48%	0.476	S	S	.	.			trans	-42.4	122	170.5	-161.8	75.9	-14.8	0	0	109.8	G410 C414	G410-Q412 PolarHBondContact O-N 3.03Å; Q412-C414 PolarHBondContact O-N 3.17Å; Q412-C414 VanDerWaalsContact O-N 3.07Å
413	R	61.3	Low	63	Low	145 Å²	145	89.8 Å²	89.8	55%	0.547	46%	0.458	S	S	.	.			trans	-87.2	75.8	-172	-67.3	-170	-174.1	175.1	13.1	110.9	G399 K411 C415	G399-R413 PolarHBondContact O-NH2 2.81Å; K411-R413 PolarHBondContact O-N 2.88Å; R413-C415 PolarHBondContact O-N 3.02Å; R413-C415 PolarHBondContact O-SG 3.16Å
414	C	74.4	Confident	65.8	Low	26 Å²	26	86.1 Å²	86.1	18%	0.176	44%	0.436	C	S	.	.			trans	-53	113	172.5	-49.8	0	0	0	0	110.2	H280 E281 R333 Q412	H280-C414 PolarHBondContact O-SG 2.89Å; E281-C414 CarbonylContact O-C 3.5Å; E281-C414 WeakPolarHBondContact O-CA 3.37Å; E281-C414 VanDerWaalsContact O-CB 3.25Å; E281-C414 WeakPolarHBondContact O-CB 3.48Å; R333-C414 WeakPolarHBondContact CD-O 3.29Å; R333-C414 PolarHBondContact NH1-O 3.13Å; Q412-C414 PolarHBondContact O-N 3.17Å; Q412-C414 VanDerWaalsContact O-N 3.07Å
415	C	84.1	Confident	68.6	Low	19 Å²	19	85.5 Å²	85.5	13%	0.128	43%	0.429	C	S	.	.			trans	-72.5	-32.5	-176.8	-64.7	0	0	0	0	112.2	E281 R333 F336 R413	E281-C415 PolarHBondContact O-N 3.16Å; R333-C415 WeakPolarHBondContact CB-O 3.41Å; R333-C415 VanDerWaalsContact CG-O 3.29Å; R333-C415 WeakPolarHBondContact CG-O 3.24Å; R333-C415 PolarHBondContact N-O 3.46Å; F336-C415 HydrophobicContact CD1-CB 4.45Å; F336-C415 HydrophobicContact CD2-CB 4.21Å; F336-C415 HydrophobicContact CE2-CB 4.29Å; F336-C415 HydrophobicContact CG-CB 4.28Å; F336-C415 HydrophobicContact CZ-CB 4.44Å; R413-C415 PolarHBondContact O-N 3.02Å; R413-C415 PolarHBondContact O-SG 3.16Å
416	Y	91.6	Very high	71.5	Confident	22 Å²	22	81.8 Å²	81.8	9%	0.086	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	170.7	-173	-58.6	-85.2	0	0	0	111.3	E281 I282 S283 K299 T319 F321 R331 P332	E281-Y416 HydrophobicContact CB-CD2 4.27Å; E281-Y416 PolarHBondContact O-N 3.38Å; I282-Y416 HydrophobicContact CG1-CD2 4.46Å; S283-Y416 WeakPolarHBondContact CB-O 3.48Å; S283-Y416 PolarHBondContact N-O 3.42Å; K299-Y416 VanDerWaalsContact CE-OH 3.3Å; K299-Y416 WeakPolarHBondContact CE-OH 3.32Å; K299-Y416 PolarHBondContact NZ-OH 2.82Å; K299-Y416 VanDerWaalsContact NZ-OH 3.17Å; T319-Y416 HydrophobicContact CG2-CE1 4.22Å; T319-Y416 WeakPolarHBondContact OG1-CE1 3.38Å; F321-Y416 HydrophobicContact CE2-CD1 4.4Å; F321-Y416 HydrophobicContact CE2-CE1 4.38Å; F321-Y416 HydrophobicContact CE2-CG 4.5Å; F321-Y416 HydrophobicContact CZ-CD1 4.5Å; F321-Y416 HydrophobicContact CZ-CD2 4.18Å; F321-Y416 HydrophobicContact CZ-CE1 4.13Å; F321-Y416 AromaticContact CZ-CE2 3.79Å; F321-Y416 HydrophobicContact CZ-CE2 3.79Å; F321-Y416 AromaticContact CZ-CZ 3.75Å; R331-Y416 CarbonylContact O-C 3.45Å; R331-Y416 WeakPolarHBondContact O-CA 3.45Å; P332-Y416 HydrophobicContact CB-CD1 3.96Å; P332-Y416 HydrophobicContact CB-CE1 3.93Å
417	K	93.4	Very high	74.6	Confident	112 Å²	112	80.1 Å²	80.1	49%	0.487	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	128.8	167.8	-177.9	-128.8	168.8	-159.1	0	107.8	S283 A330 R331	S283-K417 WeakPolarHBondContact O-CA 3.48Å; A330-K417 CarbonylContact C-O 3.58Å; A330-K417 WeakPolarHBondContact CA-O 3.47Å; R331-K417 PolarHBondContact N-O 3.14Å; R331-K417 PolarHBondContact O-N 2.84Å
418	H	95.4	Very high	77.5	Confident	40 Å²	40	75.8 Å²	75.8	19%	0.185	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	140.1	175.2	-178.7	64.7	0	0	0	111.3	I282 S283 G284 P286 E328 L421	I282-H418 HydrophobicContact CG2-CB 3.8Å; S283-H418 PolarHBondContact O-N 2.78Å; G284-H418 WeakPolarHBondContact O-CB 3.38Å; P286-H418 VanDerWaalsContact CD-CE1 3.42Å; P286-H418 WeakPolarHBondContact CD-CE1 3.4Å; E328-H418 VanDerWaalsContact CD-ND1 3.26Å; E328-H418 IonicContact OE1-CE1 2.82Å; E328-H418 IonicContact OE1-CG 2.67Å; E328-H418 IonicContact OE1-ND1 3Å; E328-H418 PolarHBondContact OE1-ND1 3.22Å; E328-H418 IonicContact OE2-CE1 3.98Å; E328-H418 PolarHBondContact OE2-CE1 2.98Å; E328-H418 IonicContact OE2-ND1 3.72Å; E328-H418 PolarHBondContact OE2-ND1 3.1Å; H418-L421 PolarHBondContact CE1-N 3.22Å; H418-L421 VanDerWaalsContact CE1-N 3.35Å
419	L	94.5	Very high	80.4	Confident	53 Å²	53	70.1 Å²	70.1	28%	0.277	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	-56	164.9	-57.5	179.5	0	0	0	110.5	V318 V329 R331	V318-L419 HydrophobicContact CG2-CD1 3.97Å; V329-L419 HydrophobicContact CG1-CB 4.47Å; V329-L419 HydrophobicContact CG1-CD1 4.28Å; V329-L419 WeakPolarHBondContact O-CA 3.41Å; V329-L419 VanDerWaalsContact O-CB 3.25Å; V329-L419 WeakPolarHBondContact O-CB 3.25Å; V329-L419 PolarHBondContact O-N 2.73Å; R331-L419 HydrophobicContact CB-CD1 4.05Å; R331-L419 HydrophobicContact CB-CD2 4.01Å; R331-L419 HydrophobicContact CB-CG 4.07Å
420	Q	94.3	Very high	83.5	Confident	79 Å²	79	60.3 Å²	60.3	37%	0.369	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	141.2	-175.5	-173.9	174	4.5	0	0	111.4	V329 L422	V329-Q420 WeakPolarHBondContact CB-O 3.39Å; V329-Q420 PolarHBondContact N-O 2.97Å; V329-Q420 PolarHBondContact O-N 3.36Å; Q420-L422 HydrophobicContact CG-CD2 4.33Å; Q420-L422 HydrophobicContact CG-CG 4.24Å; Q420-L422 VanDerWaalsContact NE2-CD2 3.32Å
421	L	94.7	Very high	86.4	Confident	41 Å²	41	57.3 Å²	57.3	22%	0.215	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	104.9	168.1	-179.5	64.9	0	0	0	108.1	P286 M289 L323 E328 H418	P286-L421 HydrophobicContact CG-CB 4.1Å; P286-L421 HydrophobicContact CG-CD2 3.84Å; M289-L421 HydrophobicContact CB-CD2 4.3Å; M289-L421 HydrophobicContact CG-CD1 4.39Å; L323-L421 HydrophobicContact CD1-CD1 4.39Å; E328-L421 HydrophobicContact CB-CD1 3.9Å; H418-L421 PolarHBondContact CE1-N 3.22Å; H418-L421 VanDerWaalsContact CE1-N 3.35Å
422	L	94.1	Very high	88.6	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	136.7	175.7	-71.5	166.4	0	0	0	109.6	S326 L327 V329 Q420 V447	S326-L422 CarbonylContact C-O 3.55Å; S326-L422 VanDerWaalsContact CA-O 3.24Å; S326-L422 WeakPolarHBondContact CA-O 3.42Å; S326-L422 VanDerWaalsContact CB-O 3.27Å; S326-L422 WeakPolarHBondContact CB-O 3.19Å; L327-L422 HydrophobicContact CB-CB 4.26Å; L327-L422 HydrophobicContact CD2-CD1 4.43Å; L327-L422 PolarHBondContact N-O 3.29Å; L327-L422 PolarHBondContact O-N 2.68Å; V329-L422 HydrophobicContact CG2-CD1 4.07Å; Q420-L422 HydrophobicContact CG-CD2 4.33Å; Q420-L422 HydrophobicContact CG-CG 4.24Å; Q420-L422 VanDerWaalsContact NE2-CD2 3.32Å; L422-V447 HydrophobicContact CD2-CG1 3.96Å; L422-V447 HydrophobicContact CD2-CG2 4.49Å
423	K	93.2	Very high	90.6	Very high	99 Å²	99	45 Å²	45	43%	0.43	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	138.1	168.5	-51.7	-166.7	-160.5	96	0	108.9	Q425 E426	K423-Q425 HydrophobicContact CB-CG 3.91Å; K423-Q425 PolarHBondContact O-N 3.15Å; K423-E426 HydrophobicContact CB-CG 4.23Å; K423-E426 IonicContact NZ-OE1 3.4Å; K423-E426 PolarHBondContact NZ-OE1 2.95Å; K423-E426 WeakPolarHBondContact O-CB 3.35Å; K423-E426 PolarHBondContact O-N 2.9Å
424	L	93.9	Very high	91.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-63.2	-28.6	-178.1	-66.7	179.6	0	0	0	112.6	L322 D325 L327 E426 I427 L534 H537 I538	L322-L424 HydrophobicContact CD1-CD1 4.09Å; L322-L424 HydrophobicContact CD1-CD2 4.04Å; D325-L424 VanDerWaalsContact C-CG 3.49Å; D325-L424 WeakPolarHBondContact O-CG 3.41Å; D325-L424 PolarHBondContact O-N 2.92Å; L327-L424 HydrophobicContact CB-CD2 4.2Å; L424-E426 PolarHBondContact O-N 3.35Å; L424-I427 HydrophobicContact CD2-CD1 3.71Å; L424-I427 PolarHBondContact O-N 3.18Å; L424-I427 VanDerWaalsContact O-N 3.15Å; L424-L534 HydrophobicContact CD2-CD1 3.71Å; L424-H537 HydrophobicContact CD1-CB 3.62Å; L424-I538 HydrophobicContact CB-CG1 4.01Å; L424-I538 HydrophobicContact CD2-CG1 4.01Å; L424-I538 HydrophobicContact CG-CG1 4.4Å
425	Q	91.9	Very high	92.4	Very high	111 Å²	111	42.3 Å²	42.3	52%	0.519	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-65.1	-15	172.4	74.6	-171.9	42.2	0	0	115.1	K423	K423-Q425 HydrophobicContact CB-CG 3.91Å; K423-Q425 PolarHBondContact O-N 3.15Å
426	E	92	Very high	92.4	Very high	20 Å²	20	45.6 Å²	45.6	9%	0.093	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-92.7	-11	176.8	-64.4	176.5	-147.9	0	0	111.4	K423 L424 V447 R448 S449	K423-E426 HydrophobicContact CB-CG 4.23Å; K423-E426 IonicContact NZ-OE1 3.4Å; K423-E426 PolarHBondContact NZ-OE1 2.95Å; K423-E426 WeakPolarHBondContact O-CB 3.35Å; K423-E426 PolarHBondContact O-N 2.9Å; L424-E426 PolarHBondContact O-N 3.35Å; E426-V447 HydrophobicContact CB-CG1 4.29Å; E426-V447 CarbonylContact O-C 3.57Å; E426-V447 VanDerWaalsContact O-CA 3.32Å; E426-V447 WeakPolarHBondContact O-CA 3.42Å; E426-V447 WeakPolarHBondContact O-CG1 3.41Å; E426-R448 PolarHBondContact O-N 3.07Å; E426-S449 WeakPolarHBondContact OE2-CA 3.48Å; E426-S449 VanDerWaalsContact OE2-CB 3.28Å; E426-S449 WeakPolarHBondContact OE2-CB 3.3Å; E426-S449 PolarHBondContact OE2-OG 3.4Å
427	I	93.4	Very high	92.1	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	117.5	170.7	-50.3	176.2	0	0	0	108.1	L327 L424 V430 L445 V447 L534 I538	L327-I427 HydrophobicContact CD2-CD1 4.47Å; L424-I427 HydrophobicContact CD2-CD1 3.71Å; L424-I427 PolarHBondContact O-N 3.18Å; L424-I427 VanDerWaalsContact O-N 3.15Å; I427-V430 HydrophobicContact CG2-CG2 4.23Å; I427-L445 HydrophobicContact CD1-CD1 4.36Å; I427-L445 HydrophobicContact CG2-CB 4.45Å; I427-L445 HydrophobicContact CG2-CD2 4.47Å; I427-V447 HydrophobicContact CG1-CG2 4.29Å; I427-L534 HydrophobicContact CD1-CD1 4.43Å; I427-I538 HydrophobicContact CB-CD1 4.01Å; I427-I538 HydrophobicContact CD1-CD1 4.1Å; I427-I538 HydrophobicContact CD1-CG1 4.48Å; I427-I538 HydrophobicContact CG2-CD1 3.8Å
428	K	89.5	Confident	91.7	Very high	85 Å²	85	43.9 Å²	43.9	37%	0.37	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-37.9	179.2	-71.7	172.4	155.1	-167.7	0	113.3	V446 R448 D455	K428-V446 PolarHBondContact N-O 2.93Å; K428-R448 HydrophobicContact CD-CB 4.21Å; K428-R448 VanDerWaalsContact NZ-CZ 3.29Å; K428-R448 VanDerWaalsContact NZ-NE 3.13Å; K428-R448 VanDerWaalsContact NZ-NH2 3.14Å; K428-D455 WeakPolarHBondContact CD-OD1 3.29Å; K428-D455 VanDerWaalsContact CE-OD1 3.28Å; K428-D455 WeakPolarHBondContact CE-OD1 3.38Å; K428-D455 IonicContact NZ-OD1 3.86Å; K428-D455 PolarHBondContact NZ-OD1 3.32Å; K428-D455 IonicContact NZ-OD2 3.66Å; K428-D455 PolarHBondContact NZ-OD2 2.7Å
429	Q	91.9	Very high	91.2	Very high	67 Å²	67	42.1 Å²	42.1	31%	0.313	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	141	-169	-165.7	179	14.7	0	0	108.6	V446 I551 V553	Q429-V446 HydrophobicContact CB-CB 4.03Å; Q429-V446 HydrophobicContact CB-CG2 4.13Å; Q429-V446 PolarHBondContact O-N 2.85Å; Q429-I551 WeakPolarHBondContact CG-O 3.39Å; Q429-V553 HydrophobicContact CG-CG2 4.3Å; Q429-V553 VanDerWaalsContact NE2-CG2 3.27Å
430	V	95.4	Very high	90.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	120.5	173.9	177	0	0	0	0	106.5	I427 L445 L531 L534 I538 I551 L552 V553	I427-V430 HydrophobicContact CG2-CG2 4.23Å; V430-L445 HydrophobicContact CG1-CD2 4.2Å; V430-L445 HydrophobicContact CG2-CD2 4.03Å; V430-L531 HydrophobicContact CG1-CD2 3.69Å; V430-L534 HydrophobicContact CG1-CD2 4.34Å; V430-L534 HydrophobicContact CG2-CD2 4.04Å; V430-L534 HydrophobicContact CG2-CG 4.32Å; V430-I538 HydrophobicContact CG2-CD1 3.59Å; V430-I551 HydrophobicContact CB-CG2 4.4Å; V430-I551 HydrophobicContact CG2-CG2 4.04Å; V430-I551 PolarHBondContact N-O 3.4Å; V430-L552 HydrophobicContact CB-CD1 4.31Å; V430-L552 HydrophobicContact CG1-CD1 3.87Å; V430-L552 WeakPolarHBondContact O-CA 3.37Å; V430-V553 PolarHBondContact O-N 3.15Å
431	V	95.1	Very high	90.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	119.1	-176.5	171.3	0	0	0	0	109.2	F433 F443 G444 V446 V553 V555 L560	V431-F433 HydrophobicContact CG1-CD1 3.67Å; V431-F433 HydrophobicContact CG1-CE1 3.59Å; V431-F433 HydrophobicContact CG1-CG 4.39Å; V431-F433 HydrophobicContact CG1-CZ 4.26Å; V431-F443 CarbonylContact O-C 3.22Å; V431-F443 WeakPolarHBondContact O-CA 3.32Å; V431-F443 VanDerWaalsContact O-CB 3.27Å; V431-F443 WeakPolarHBondContact O-CB 3.47Å; V431-G444 PolarHBondContact N-O 2.83Å; V431-G444 PolarHBondContact O-N 3.18Å; V431-V446 HydrophobicContact CG2-CG2 3.97Å; V431-V553 CarbonylContact C-O 3.59Å; V431-V553 WeakPolarHBondContact CA-O 3.36Å; V431-V555 HydrophobicContact CG1-CB 3.74Å; V431-V555 HydrophobicContact CG1-CG2 3.73Å; V431-V555 HydrophobicContact CG2-CG2 4.25Å; V431-L560 HydrophobicContact CB-CD1 4.46Å; V431-L560 HydrophobicContact CG1-CD1 3.98Å; V431-L560 HydrophobicContact CG2-CD1 3.89Å
432	N	94.5	Very high	90.9	Very high	23 Å²	23	36 Å²	36	12%	0.123	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	119.8	159.4	169.4	36.7	0	0	0	107.9	D434 K527 L552 V553 D554 V555	N432-D434 PolarHBondContact ND2-OD1 3.38Å; N432-K527 WeakPolarHBondContact OD1-CE 3.28Å; N432-K527 PolarHBondContact OD1-NZ 3.4Å; N432-L552 HydrophobicContact CB-CD1 4.18Å; N432-V553 PolarHBondContact N-O 2.99Å; N432-D554 VanDerWaalsContact CB-OD1 3.23Å; N432-D554 WeakPolarHBondContact CB-OD1 3.41Å; N432-D554 PolarHBondContact ND2-OD1 3.41Å; N432-D554 WeakPolarHBondContact O-CA 3.31Å; N432-V555 PolarHBondContact O-N 3.34Å
433	F	93.5	Very high	91	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	122.6	168.8	-68.9	-49.5	0	0	0	109.7	V431 T435 A442 F443 A459 K527 V555 P557 L560 L561	V431-F433 HydrophobicContact CG1-CD1 3.67Å; V431-F433 HydrophobicContact CG1-CE1 3.59Å; V431-F433 HydrophobicContact CG1-CG 4.39Å; V431-F433 HydrophobicContact CG1-CZ 4.26Å; F433-T435 HydrophobicContact CB-CG2 4.47Å; F433-T435 PolarHBondContact O-N 2.85Å; F433-A442 HydrophobicContact CB-CB 4.18Å; F433-A442 HydrophobicContact CD2-CB 3.92Å; F433-A442 PolarHBondContact N-O 3.14Å; F433-F443 VanDerWaalsContact CD2-C 3.43Å; F433-F443 WeakPolarHBondContact CE2-O 3.45Å; F433-A459 HydrophobicContact CE2-CB 4.1Å; F433-A459 HydrophobicContact CZ-CB 4.47Å; F433-K527 PolarHBondContact O-NZ 3.39Å; F433-V555 WeakPolarHBondContact CA-O 3.4Å; F433-P557 HydrophobicContact CD1-CB 4.3Å; F433-L560 HydrophobicContact CE1-CB 4.16Å; F433-L560 HydrophobicContact CE1-CD1 4.12Å; F433-L561 HydrophobicContact CE1-CG 4.4Å; F433-L561 HydrophobicContact CE2-CD1 4.14Å; F433-L561 HydrophobicContact CE2-CD2 4.25Å; F433-L561 HydrophobicContact CE2-CG 4.44Å; F433-L561 HydrophobicContact CZ-CD1 4.17Å; F433-L561 HydrophobicContact CZ-CD2 3.87Å; F433-L561 HydrophobicContact CZ-CG 4.01Å
434	D	87	Confident	91.1	Very high	85 Å²	85	31.3 Å²	31.3	46%	0.455	17%	0.173	S	C	.	.			trans	-81.5	113.3	175.5	-79.8	-8.6	0	0	0	110.2	N432 V555 P557	N432-D434 PolarHBondContact ND2-OD1 3.38Å; D434-V555 PolarHBondContact N-O 2.61Å; D434-V555 VanDerWaalsContact N-O 3.17Å; D434-P557 VanDerWaalsContact O-CD 3.3Å; D434-P557 WeakPolarHBondContact O-CD 3.39Å
435	T	87.3	Confident	91.2	Very high	29 Å²	29	31.3 Å²	31.3	18%	0.178	17%	0.173	C	C	.	.			trans	-122.5	147	-173.1	55.4	0	0	0	0	109.8	F433 S437 R440 L565 F569	F433-T435 HydrophobicContact CB-CG2 4.47Å; F433-T435 PolarHBondContact O-N 2.85Å; T435-S437 PolarHBondContact O-N 2.73Å; T435-S437 PolarHBondContact OG1-O 2.74Å; T435-R440 HydrophobicContact CG2-CB 4.32Å; T435-R440 WeakPolarHBondContact CG2-O 3.39Å; T435-R440 PolarHBondContact OG1-O 3.26Å; T435-L565 HydrophobicContact CG2-CD2 4.02Å; T435-F569 HydrophobicContact CG2-CE2 4.47Å
436	A	83.7	Confident	91.3	Very high	89 Å²	89	26.7 Å²	26.7	74%	0.736	15%	0.152	S	C	*	.	S	Bend	trans	-66.1	-3.8	-166.1	0	0	0	0	0	116	E566	A436-E566 WeakPolarHBondContact CB-OE1 3.39Å; A436-E566 PolarHBondContact N-OE1 3.42Å
437	S	85.5	Confident	91.4	Very high	24 Å²	24	26 Å²	26	17%	0.168	15%	0.15	C	C	.	.	S	Bend	trans	-151.5	150.8	170	66.7	0	0	0	0	112.3	T435 D439 R440	T435-S437 PolarHBondContact O-N 2.73Å; T435-S437 PolarHBondContact OG1-O 2.74Å; S437-D439 WeakPolarHBondContact CB-OD1 3.33Å; S437-D439 PolarHBondContact O-N 2.99Å; S437-D439 PolarHBondContact OG-OD1 2.85Å; S437-R440 WeakPolarHBondContact O-CB 3.35Å; S437-R440 PolarHBondContact O-N 2.87Å; S437-R440 WeakPolarHBondContact OG-CD 3.3Å
438	P	84.2	Confident	91.2	Very high	74 Å²	74	30.6 Å²	30.6	48%	0.481	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-68.5	-16.6	-174.5	24.4	-32.7	0	0	0	114.6	R440 Q520 G524	P438-R440 VanDerWaalsContact C-N 3.28Å; P438-R440 PolarHBondContact O-N 2.78Å; P438-Q520 HydrophobicContact CG-CB 4.25Å; P438-G524 PolarHBondContact O-N 3.24Å
439	D	85.1	Confident	90.9	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.011	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-68.1	-26.2	168.8	53.9	-66.9	0	0	0	113.2	S437 A441 S465 A468 S469 Q520 V523	S437-D439 WeakPolarHBondContact CB-OD1 3.33Å; S437-D439 PolarHBondContact O-N 2.99Å; S437-D439 PolarHBondContact OG-OD1 2.85Å; D439-A441 PolarHBondContact O-N 2.96Å; D439-S465 WeakPolarHBondContact O-CA 3.49Å; D439-S465 WeakPolarHBondContact O-CB 3.43Å; D439-S465 PolarHBondContact O-OG 2.73Å; D439-A468 HydrophobicContact CB-CB 3.53Å; D439-S469 VanDerWaalsContact OD2-CA 3.29Å; D439-S469 WeakPolarHBondContact OD2-CA 3.41Å; D439-S469 WeakPolarHBondContact OD2-CB 3.19Å; D439-S469 PolarHBondContact OD2-N 3.38Å; D439-S469 PolarHBondContact OD2-OG 2.67Å; D439-Q520 HydrophobicContact CB-CB 4.15Å; D439-Q520 HydrophobicContact CB-CG 3.92Å; D439-Q520 PolarHBondContact OD1-NE2 2.89Å; D439-V523 WeakPolarHBondContact O-CG1 3.48Å
440	R	89.3	Confident	90.3	Very high	45 Å²	45	30.2 Å²	30.2	17%	0.17	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-81	29.2	-177.4	-66.4	174	174.2	165.7	-6.2	113.3	T435 S437 P438 A442 E566 F569 N570	T435-R440 HydrophobicContact CG2-CB 4.32Å; T435-R440 WeakPolarHBondContact CG2-O 3.39Å; T435-R440 PolarHBondContact OG1-O 3.26Å; S437-R440 WeakPolarHBondContact O-CB 3.35Å; S437-R440 PolarHBondContact O-N 2.87Å; S437-R440 WeakPolarHBondContact OG-CD 3.3Å; P438-R440 VanDerWaalsContact C-N 3.28Å; P438-R440 PolarHBondContact O-N 2.78Å; R440-A442 PolarHBondContact O-N 2.92Å; R440-E566 VanDerWaalsContact CD-OE1 3.25Å; R440-E566 WeakPolarHBondContact CD-OE1 3.3Å; R440-E566 WeakPolarHBondContact CD-OE2 3.3Å; R440-E566 IonicContact CZ-OE1 3.56Å; R440-E566 IonicContact CZ-OE2 2.82Å; R440-E566 IonicContact NE-OE1 3.76Å; R440-E566 IonicContact NE-OE2 2.99Å; R440-E566 PolarHBondContact NE-OE2 3.27Å; R440-E566 IonicContact NH1-OE1 2.81Å; R440-E566 PolarHBondContact NH1-OE1 3.12Å; R440-E566 IonicContact NH1-OE2 2.82Å; R440-E566 PolarHBondContact NH1-OE2 2.74Å; R440-E566 IonicContact NH2-OE2 3.45Å; R440-E566 PolarHBondContact NH2-OE2 3.15Å; R440-F569 HydrophobicContact CB-CD1 4.48Å; R440-F569 HydrophobicContact CB-CD2 3.82Å; R440-F569 HydrophobicContact CB-CE1 4.41Å; R440-F569 HydrophobicContact CB-CE2 3.7Å; R440-F569 HydrophobicContact CB-CG 4.22Å; R440-F569 HydrophobicContact CB-CZ 4.02Å; R440-F569 HydrophobicContact CG-CB 4.28Å; R440-F569 HydrophobicContact CG-CD1 4.29Å; R440-F569 HydrophobicContact CG-CD2 3.92Å; R440-F569 HydrophobicContact CG-CE2 4.3Å; R440-F569 HydrophobicContact CG-CG 3.91Å; R440-F569 VanDerWaalsContact O-CE2 3.26Å; R440-F569 WeakPolarHBondContact O-CE2 3.5Å; R440-F569 WeakPolarHBondContact O-CZ 3.45Å; R440-N570 PolarHBondContact NH2-OD1 3.34Å
441	A	93.2	Very high	89.5	Confident	1 Å²	1	35 Å²	35	1%	0.008	22%	0.216	C	C	.	.			trans	-48.6	94.8	-178.1	0	0	0	0	0	114.6	D439 L462 S465 V523 K527	D439-A441 PolarHBondContact O-N 2.96Å; A441-L462 HydrophobicContact CB-CB 4.34Å; A441-L462 HydrophobicContact CB-CD1 4.21Å; A441-L462 HydrophobicContact CB-CD2 4.23Å; A441-L462 HydrophobicContact CB-CG 4.49Å; A441-L462 WeakPolarHBondContact O-CD1 3.44Å; A441-L462 PolarHBondContact O-N 2.92Å; A441-S465 PolarHBondContact N-OG 2.86Å; A441-V523 HydrophobicContact CB-CG1 3.71Å; A441-K527 HydrophobicContact CB-CB 3.84Å; A441-K527 HydrophobicContact CB-CD 3.58Å; A441-K527 HydrophobicContact CB-CG 4.32Å
442	A	94.9	Very high	88.8	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	158	171.3	0	0	0	0	0	112.2	F433 R440 Y460 C461 K527 L565 F569	F433-A442 HydrophobicContact CB-CB 4.18Å; F433-A442 HydrophobicContact CD2-CB 3.92Å; F433-A442 PolarHBondContact N-O 3.14Å; R440-A442 PolarHBondContact O-N 2.92Å; A442-Y460 CarbonylContact C-O 3.57Å; A442-Y460 VanDerWaalsContact CA-O 3.24Å; A442-Y460 WeakPolarHBondContact CA-O 3.46Å; A442-Y460 WeakPolarHBondContact CB-O 3.49Å; A442-C461 HydrophobicContact CB-CB 4.04Å; A442-K527 WeakPolarHBondContact O-CE 3.35Å; A442-K527 PolarHBondContact O-NZ 3.45Å; A442-L565 HydrophobicContact CB-CD2 3.79Å; A442-F569 HydrophobicContact CB-CE2 4.4Å; A442-F569 HydrophobicContact CB-CZ 4.22Å
443	F	96.1	Very high	88.2	Confident	1 Å²	1	42.3 Å²	42.3	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	161.5	177.3	69.3	-88.9	0	0	0	111.3	L300 V302 L320 V431 F433 L445 Y460 L462 F530 L531	L300-F443 HydrophobicContact CD2-CE1 3.9Å; L300-F443 HydrophobicContact CD2-CZ 4.17Å; V302-F443 HydrophobicContact CG1-CE1 4.19Å; V302-F443 HydrophobicContact CG1-CZ 4.38Å; L320-F443 HydrophobicContact CD1-CE2 4.39Å; L320-F443 HydrophobicContact CD1-CZ 3.76Å; V431-F443 CarbonylContact O-C 3.22Å; V431-F443 WeakPolarHBondContact O-CA 3.32Å; V431-F443 VanDerWaalsContact O-CB 3.27Å; V431-F443 WeakPolarHBondContact O-CB 3.47Å; F433-F443 VanDerWaalsContact CD2-C 3.43Å; F433-F443 WeakPolarHBondContact CE2-O 3.45Å; F443-L445 HydrophobicContact CD2-CD2 4.33Å; F443-L445 HydrophobicContact CE2-CD2 4.3Å; F443-L445 HydrophobicContact CE2-CG 4.36Å; F443-Y460 HydrophobicContact CD2-CD2 4.35Å; F443-Y460 AromaticContact CE2-CD2 3.68Å; F443-Y460 HydrophobicContact CE2-CD2 3.68Å; F443-Y460 HydrophobicContact CE2-CG 4.27Å; F443-Y460 AromaticContact CZ-CD2 3.94Å; F443-Y460 HydrophobicContact CZ-CD2 3.94Å; F443-Y460 HydrophobicContact CZ-CG 4.1Å; F443-Y460 PolarHBondContact N-O 2.66Å; F443-Y460 PolarHBondContact O-N 3.38Å; F443-Y460 VanDerWaalsContact O-O 3.08Å; F443-L462 HydrophobicContact CD1-CD1 3.99Å; F443-L462 HydrophobicContact CE1-CD1 3.9Å; F443-F530 HydrophobicContact CE2-CE1 4.4Å; F443-F530 HydrophobicContact CZ-CD1 4.42Å; F443-F530 HydrophobicContact CZ-CE1 4.03Å; F443-L531 HydrophobicContact CB-CD1 4.06Å; F443-L531 HydrophobicContact CB-CD2 3.8Å; F443-L531 HydrophobicContact CD1-CD2 4.25Å; F443-L531 HydrophobicContact CD2-CD2 3.7Å; F443-L531 HydrophobicContact CE2-CD2 4.28Å; F443-L531 HydrophobicContact CG-CD2 3.67Å
444	G	95.6	Very high	87.9	Confident	0 Å²	0	48 Å²	48	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	158.2	175.5	0	0	0	0	0	112.4	V431 H458	V431-G444 PolarHBondContact N-O 2.83Å; V431-G444 PolarHBondContact O-N 3.18Å; G444-H458 CarbonylContact C-O 3.59Å; G444-H458 WeakPolarHBondContact CA-O 3.45Å
445	L	96	Very high	88	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	122.3	169.6	-54.6	177.2	0	0	0	108.8	L327 I427 V430 F443 V447 V457 H458 Y460 L534	L327-L445 HydrophobicContact CD2-CD1 3.6Å; I427-L445 HydrophobicContact CD1-CD1 4.36Å; I427-L445 HydrophobicContact CG2-CB 4.45Å; I427-L445 HydrophobicContact CG2-CD2 4.47Å; V430-L445 HydrophobicContact CG1-CD2 4.2Å; V430-L445 HydrophobicContact CG2-CD2 4.03Å; F443-L445 HydrophobicContact CD2-CD2 4.33Å; F443-L445 HydrophobicContact CE2-CD2 4.3Å; F443-L445 HydrophobicContact CE2-CG 4.36Å; L445-V447 HydrophobicContact CB-CG2 4.16Å; L445-V457 WeakPolarHBondContact O-CA 3.46Å; L445-H458 HydrophobicContact CB-CB 4.39Å; L445-H458 PolarHBondContact N-O 2.81Å; L445-H458 PolarHBondContact O-N 3.28Å; L445-Y460 HydrophobicContact CD1-CE2 4.08Å; L445-Y460 HydrophobicContact CG-CE2 4.44Å; L445-L534 HydrophobicContact CD2-CD2 3.58Å
446	V	94.2	Very high	88.2	Confident	14 Å²	14	52.1 Å²	52.1	9%	0.085	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	109.8	173.6	-173.3	0	0	0	0	108	K428 Q429 V431 D455	K428-V446 PolarHBondContact N-O 2.93Å; Q429-V446 HydrophobicContact CB-CB 4.03Å; Q429-V446 HydrophobicContact CB-CG2 4.13Å; Q429-V446 PolarHBondContact O-N 2.85Å; V431-V446 HydrophobicContact CG2-CG2 3.97Å; V446-D455 HydrophobicContact CG1-CB 3.83Å
447	V	93.6	Very high	88.6	Confident	6 Å²	6	50.6 Å²	50.6	4%	0.036	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.4	-172.4	-178.7	0	0	0	0	109.9	L422 E426 I427 L445 R456	L422-V447 HydrophobicContact CD2-CG1 3.96Å; L422-V447 HydrophobicContact CD2-CG2 4.49Å; E426-V447 HydrophobicContact CB-CG1 4.29Å; E426-V447 CarbonylContact O-C 3.57Å; E426-V447 VanDerWaalsContact O-CA 3.32Å; E426-V447 WeakPolarHBondContact O-CA 3.42Å; E426-V447 WeakPolarHBondContact O-CG1 3.41Å; I427-V447 HydrophobicContact CG1-CG2 4.29Å; L445-V447 HydrophobicContact CB-CG2 4.16Å; V447-R456 PolarHBondContact N-O 3.28Å; V447-R456 PolarHBondContact O-N 2.92Å
448	R	90.1	Very high	89	Confident	97 Å²	97	51 Å²	51	37%	0.366	28%	0.279	S	S	.	.			trans	-125.9	107.6	163.2	-161.6	178.8	-65.4	-161.1	-0.3	109.8	E426 K428 E452 V453 D455	E426-R448 PolarHBondContact O-N 3.07Å; K428-R448 HydrophobicContact CD-CB 4.21Å; K428-R448 VanDerWaalsContact NZ-CZ 3.29Å; K428-R448 VanDerWaalsContact NZ-NE 3.13Å; K428-R448 VanDerWaalsContact NZ-NH2 3.14Å; R448-E452 WeakPolarHBondContact CG-O 3.41Å; R448-V453 PolarHBondContact NE-O 2.7Å; R448-V453 PolarHBondContact NH1-O 2.78Å; R448-D455 WeakPolarHBondContact CB-OD1 3.29Å; R448-D455 IonicContact CZ-OD1 2.9Å; R448-D455 IonicContact CZ-OD2 3.48Å; R448-D455 IonicContact NE-OD1 2.79Å; R448-D455 PolarHBondContact NE-OD1 3.24Å; R448-D455 IonicContact NE-OD2 2.74Å; R448-D455 VanDerWaalsContact NH2-CG 3.27Å; R448-D455 IonicContact NH2-OD1 3.62Å; R448-D455 PolarHBondContact NH2-OD1 2.75Å; R448-D455 IonicContact NH2-OD2 2.71Å; R448-D455 PolarHBondContact NH2-OD2 2.86Å
449	S	83.2	Confident	89.5	Confident	27 Å²	27	47.8 Å²	47.8	19%	0.189	26%	0.259	C	S	.	.			trans	-74.6	151	173.1	-160.9	0	0	0	0	110.9	E426 S451 E452	E426-S449 WeakPolarHBondContact OE2-CA 3.48Å; E426-S449 VanDerWaalsContact OE2-CB 3.28Å; E426-S449 WeakPolarHBondContact OE2-CB 3.3Å; E426-S449 PolarHBondContact OE2-OG 3.4Å; S449-S451 PolarHBondContact O-N 2.75Å; S449-E452 PolarHBondContact O-N 2.9Å
450	S	79	Confident	89.9	Confident	117 Å²	117	47.8 Å²	47.8	82%	0.818	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-16.4	-174.9	59.2	0	0	0	0	115.7
451	S	79.4	Confident	90.1	Very high	101 Å²	101	45.6 Å²	45.6	71%	0.706	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	0	177.5	55.9	0	0	0	0	114.4	S449	S449-S451 PolarHBondContact O-N 2.75Å
452	E	80.1	Confident	90.2	Very high	60 Å²	60	45.7 Å²	45.7	28%	0.28	25%	0.251	S	S	.	.			trans	-122.5	134.8	-168.8	-55.8	-168	144.9	0	0	111.1	R448 S449 R456	R448-E452 WeakPolarHBondContact CG-O 3.41Å; S449-E452 PolarHBondContact O-N 2.9Å; E452-R456 IonicContact OE1-CZ 3.46Å; E452-R456 IonicContact OE1-NH1 3.33Å; E452-R456 PolarHBondContact OE1-NH1 3.28Å; E452-R456 IonicContact OE1-NH2 3.59Å; E452-R456 PolarHBondContact OE1-NH2 3.12Å; E452-R456 IonicContact OE2-CZ 3.24Å; E452-R456 IonicContact OE2-NE 3.32Å; E452-R456 IonicContact OE2-NH1 2.7Å; E452-R456 PolarHBondContact OE2-NH1 3.22Å; E452-R456 IonicContact OE2-NH2 2.75Å; E452-R456 PolarHBondContact OE2-NH2 3.4Å
453	V	81.1	Confident	90	Very high	117 Å²	117	45.7 Å²	45.7	71%	0.709	25%	0.251	S	S	*	.	S	Bend	trans	-77.8	-42.4	-175.8	180	0	0	0	0	110.8	R448	R448-V453 PolarHBondContact NE-O 2.7Å; R448-V453 PolarHBondContact NH1-O 2.78Å
454	D	86.7	Confident	89.9	Confident	120 Å²	120	45.8 Å²	45.8	64%	0.642	25%	0.252	S	S	*	.	S	Bend	trans	-92	153.4	-173.8	-48.1	-60.2	0	0	0	111.5
455	D	90.5	Very high	89.7	Confident	67 Å²	67	45.8 Å²	45.8	36%	0.358	25%	0.252	S	S	.	.			trans	-78.7	142.6	170.7	-61.8	-54.7	0	0	0	110.5	K428 V446 R448	K428-D455 WeakPolarHBondContact CD-OD1 3.29Å; K428-D455 VanDerWaalsContact CE-OD1 3.28Å; K428-D455 WeakPolarHBondContact CE-OD1 3.38Å; K428-D455 IonicContact NZ-OD1 3.86Å; K428-D455 PolarHBondContact NZ-OD1 3.32Å; K428-D455 IonicContact NZ-OD2 3.66Å; K428-D455 PolarHBondContact NZ-OD2 2.7Å; V446-D455 HydrophobicContact CG1-CB 3.83Å; R448-D455 WeakPolarHBondContact CB-OD1 3.29Å; R448-D455 IonicContact CZ-OD1 2.9Å; R448-D455 IonicContact CZ-OD2 3.48Å; R448-D455 IonicContact NE-OD1 2.79Å; R448-D455 PolarHBondContact NE-OD1 3.24Å; R448-D455 IonicContact NE-OD2 2.74Å; R448-D455 VanDerWaalsContact NH2-CG 3.27Å; R448-D455 IonicContact NH2-OD1 3.62Å; R448-D455 PolarHBondContact NH2-OD1 2.75Å; R448-D455 IonicContact NH2-OD2 2.71Å; R448-D455 PolarHBondContact NH2-OD2 2.86Å
456	R	90.4	Very high	89.3	Confident	132 Å²	132	45.9 Å²	45.9	50%	0.498	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	136.6	171.4	-70.4	-168.7	179.7	135.7	15.1	111.2	V447 E452	V447-R456 PolarHBondContact N-O 3.28Å; V447-R456 PolarHBondContact O-N 2.92Å; E452-R456 IonicContact OE1-CZ 3.46Å; E452-R456 IonicContact OE1-NH1 3.33Å; E452-R456 PolarHBondContact OE1-NH1 3.28Å; E452-R456 IonicContact OE1-NH2 3.59Å; E452-R456 PolarHBondContact OE1-NH2 3.12Å; E452-R456 IonicContact OE2-CZ 3.24Å; E452-R456 IonicContact OE2-NE 3.32Å; E452-R456 IonicContact OE2-NH1 2.7Å; E452-R456 PolarHBondContact OE2-NH1 3.22Å; E452-R456 IonicContact OE2-NH2 2.75Å; E452-R456 PolarHBondContact OE2-NH2 3.4Å
457	V	91.9	Very high	89.1	Confident	57 Å²	57	45.3 Å²	45.3	35%	0.345	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	115.8	173.3	-175.6	0	0	0	0	109	L445 L560	L445-V457 WeakPolarHBondContact O-CA 3.46Å; V457-L560 HydrophobicContact CG2-CD2 4.27Å
458	H	93.8	Very high	88.9	Confident	34 Å²	34	45 Å²	45	16%	0.157	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	109.7	167.5	-68.5	-102.1	0	0	0	108.6	G444 L445 Y460	G444-H458 CarbonylContact C-O 3.59Å; G444-H458 WeakPolarHBondContact CA-O 3.45Å; L445-H458 HydrophobicContact CB-CB 4.39Å; L445-H458 PolarHBondContact N-O 2.81Å; L445-H458 PolarHBondContact O-N 3.28Å; H458-Y460 HydrophobicContact CB-CE2 3.76Å
459	A	94.8	Very high	88.8	Confident	6 Å²	6	40.6 Å²	40.6	5%	0.05	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	138.1	-174.9	0	0	0	0	0	112.1	L305 F433 L561	L305-A459 HydrophobicContact CB-CB 3.97Å; L305-A459 HydrophobicContact CD1-CB 4.41Å; L305-A459 PolarHBondContact N-O 3.31Å; F433-A459 HydrophobicContact CE2-CB 4.1Å; F433-A459 HydrophobicContact CZ-CB 4.47Å; A459-L561 HydrophobicContact CB-CD2 3.52Å
460	Y	95	Very high	89	Confident	1 Å²	1	39.8 Å²	39.8	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	147.6	-175.9	-60.2	-72.5	0	0	0	111.9	V302 F303 E304 L320 A442 F443 L445 H458	V302-Y460 HydrophobicContact CB-CD1 4.32Å; V302-Y460 HydrophobicContact CG2-CD1 3.67Å; V302-Y460 HydrophobicContact CG2-CE1 4.31Å; V302-Y460 HydrophobicContact CG2-CG 4.3Å; F303-Y460 VanDerWaalsContact O-CA 3.31Å; F303-Y460 WeakPolarHBondContact O-CA 3.3Å; E304-Y460 HydrophobicContact CB-CD1 4.26Å; E304-Y460 HydrophobicContact CB-CE1 4Å; E304-Y460 HydrophobicContact CG-CE1 4.21Å; L320-Y460 HydrophobicContact CD1-CD2 4.43Å; L320-Y460 HydrophobicContact CD2-CE1 4.32Å; A442-Y460 CarbonylContact C-O 3.57Å; A442-Y460 VanDerWaalsContact CA-O 3.24Å; A442-Y460 WeakPolarHBondContact CA-O 3.46Å; A442-Y460 WeakPolarHBondContact CB-O 3.49Å; F443-Y460 HydrophobicContact CD2-CD2 4.35Å; F443-Y460 AromaticContact CE2-CD2 3.68Å; F443-Y460 HydrophobicContact CE2-CD2 3.68Å; F443-Y460 HydrophobicContact CE2-CG 4.27Å; F443-Y460 AromaticContact CZ-CD2 3.94Å; F443-Y460 HydrophobicContact CZ-CD2 3.94Å; F443-Y460 HydrophobicContact CZ-CG 4.1Å; F443-Y460 PolarHBondContact N-O 2.66Å; F443-Y460 PolarHBondContact O-N 3.38Å; F443-Y460 VanDerWaalsContact O-O 3.08Å; L445-Y460 HydrophobicContact CD1-CE2 4.08Å; L445-Y460 HydrophobicContact CG-CE2 4.44Å; H458-Y460 HydrophobicContact CB-CE2 3.76Å
461	C	93	Very high	89.4	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	148	160.7	61.6	0	0	0	0	111.1	V302 F303 L305 A442 A463 F466 F569	V302-C461 CarbonylContact C-O 3.48Å; V302-C461 WeakPolarHBondContact CA-O 3.39Å; V302-C461 VanDerWaalsContact CB-O 3.29Å; V302-C461 WeakPolarHBondContact CB-O 3.29Å; F303-C461 PolarHBondContact N-O 2.84Å; F303-C461 PolarHBondContact O-N 2.86Å; F303-C461 VanDerWaalsContact O-N 3.07Å; L305-C461 HydrophobicContact CD1-CB 4.21Å; A442-C461 HydrophobicContact CB-CB 4.04Å; C461-A463 PolarHBondContact O-N 2.96Å; C461-F466 WeakPolarHBondContact SG-CE2 3.22Å; C461-F466 WeakPolarHBondContact SG-CZ 3.27Å; C461-F569 HydrophobicContact CB-CE1 3.97Å; C461-F569 HydrophobicContact CB-CZ 3.68Å
462	L	94.5	Very high	89.8	Confident	3 Å²	3	32.4 Å²	32.4	2%	0.016	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	133	178.4	-87	66.6	0	0	0	109.3	L300 A441 F443 A464 S465 A526 K527	L300-L462 HydrophobicContact CD1-CD2 4.33Å; L300-L462 HydrophobicContact CD1-CG 4.23Å; L300-L462 HydrophobicContact CD2-CD1 4.09Å; L300-L462 HydrophobicContact CD2-CG 4.22Å; A441-L462 HydrophobicContact CB-CB 4.34Å; A441-L462 HydrophobicContact CB-CD1 4.21Å; A441-L462 HydrophobicContact CB-CD2 4.23Å; A441-L462 HydrophobicContact CB-CG 4.49Å; A441-L462 WeakPolarHBondContact O-CD1 3.44Å; A441-L462 PolarHBondContact O-N 2.92Å; F443-L462 HydrophobicContact CD1-CD1 3.99Å; F443-L462 HydrophobicContact CE1-CD1 3.9Å; L462-A464 PolarHBondContact O-N 2.86Å; L462-A464 VanDerWaalsContact O-N 3.1Å; L462-S465 WeakPolarHBondContact O-CB 3.46Å; L462-S465 PolarHBondContact O-N 2.9Å; L462-S465 PolarHBondContact O-OG 3.17Å; L462-A526 HydrophobicContact CD2-CB 4.16Å; L462-K527 HydrophobicContact CD1-CB 4.03Å; L462-K527 HydrophobicContact CD2-CB 3.94Å
463	A	91.8	Very high	90.1	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.8	-25.6	177.2	0	0	0	0	0	111.9	N301 F303 A344 A347 C461 S465	N301-A463 HydrophobicContact CB-CB 4.06Å; N301-A463 WeakPolarHBondContact O-CB 3.39Å; N301-A463 PolarHBondContact O-N 3.06Å; F303-A463 HydrophobicContact CD2-CB 3.88Å; F303-A463 HydrophobicContact CE2-CB 3.68Å; A344-A463 WeakPolarHBondContact CA-O 3.39Å; A344-A463 WeakPolarHBondContact CB-O 3.5Å; A347-A463 HydrophobicContact CB-CB 3.61Å; C461-A463 PolarHBondContact O-N 2.96Å; A463-S465 VanDerWaalsContact C-N 3.3Å; A463-S465 PolarHBondContact O-N 3.38Å
464	A	92.4	Very high	90.3	Very high	3 Å²	3	30.7 Å²	30.7	3%	0.025	17%	0.168	C	C	.	.	H	α-helix	trans	-62.9	-33.6	174.2	0	0	0	0	0	113.1	A347 A348 A351 L462 F466 A467 A468 V523	A347-A464 HydrophobicContact CB-CB 4.03Å; A348-A464 HydrophobicContact CB-CB 4.29Å; A351-A464 HydrophobicContact CB-CB 4.28Å; L462-A464 PolarHBondContact O-N 2.86Å; L462-A464 VanDerWaalsContact O-N 3.1Å; A464-F466 VanDerWaalsContact C-N 3.3Å; A464-F466 PolarHBondContact O-N 3.26Å; A464-A467 PolarHBondContact O-N 3.15Å; A464-A468 PolarHBondContact O-N 3.01Å; A464-V523 HydrophobicContact CB-CG1 4.41Å; A464-V523 HydrophobicContact CB-CG2 3.74Å
465	S	92.1	Very high	90.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-54.1	-44.7	-180	-63.7	0	0	0	0	112.4	D439 A441 L462 A463 A467 A468 S469	D439-S465 WeakPolarHBondContact O-CA 3.49Å; D439-S465 WeakPolarHBondContact O-CB 3.43Å; D439-S465 PolarHBondContact O-OG 2.73Å; A441-S465 PolarHBondContact N-OG 2.86Å; L462-S465 WeakPolarHBondContact O-CB 3.46Å; L462-S465 PolarHBondContact O-N 2.9Å; L462-S465 PolarHBondContact O-OG 3.17Å; A463-S465 VanDerWaalsContact C-N 3.3Å; A463-S465 PolarHBondContact O-N 3.38Å; S465-A467 VanDerWaalsContact C-N 3.26Å; S465-A467 PolarHBondContact O-N 3.49Å; S465-A468 CarbonylContact O-C 3.52Å; S465-A468 PolarHBondContact O-N 2.92Å; S465-A468 VanDerWaalsContact O-N 3.07Å; S465-S469 PolarHBondContact O-N 3.15Å; S465-S469 PolarHBondContact O-OG 3.46Å
466	F	88.7	Confident	89.9	Confident	2 Å²	2	29.5 Å²	29.5	1%	0.009	16%	0.163	C	C	.	.	H	α-helix	trans	-66.3	-26.3	-179.1	-63.1	-55.9	0	0	0	113.8	F303 A344 C461 A464 A470 F569 T572 L576	F303-F466 HydrophobicContact CB-CE2 4.12Å; F303-F466 HydrophobicContact CD1-CE2 4.43Å; F303-F466 AromaticContact CD2-CD2 3.74Å; F303-F466 HydrophobicContact CD2-CD2 3.74Å; F303-F466 AromaticContact CD2-CE2 3.51Å; F303-F466 HydrophobicContact CD2-CE2 3.51Å; F303-F466 AromaticContact CE2-CD2 3.73Å; F303-F466 HydrophobicContact CE2-CD2 3.73Å; F303-F466 AromaticContact CE2-CE2 3.94Å; F303-F466 HydrophobicContact CE2-CE2 3.94Å; F303-F466 HydrophobicContact CG-CD2 4.42Å; F303-F466 AromaticContact CG-CE2 3.78Å; F303-F466 HydrophobicContact CG-CE2 3.78Å; F303-F466 HydrophobicContact CZ-CD2 4.39Å; A344-F466 HydrophobicContact CB-CB 4.21Å; C461-F466 WeakPolarHBondContact SG-CE2 3.22Å; C461-F466 WeakPolarHBondContact SG-CZ 3.27Å; A464-F466 VanDerWaalsContact C-N 3.3Å; A464-F466 PolarHBondContact O-N 3.26Å; F466-A470 WeakPolarHBondContact O-CB 3.33Å; F466-A470 PolarHBondContact O-N 3.21Å; F466-F569 HydrophobicContact CD1-CD1 4.03Å; F466-F569 HydrophobicContact CD1-CE1 4.45Å; F466-F569 AromaticContact CE1-CD1 3.68Å; F466-F569 HydrophobicContact CE1-CD1 3.68Å; F466-F569 HydrophobicContact CE1-CE1 4.02Å; F466-F569 HydrophobicContact CZ-CD1 4.48Å; F466-F569 HydrophobicContact CZ-CE1 4.42Å; F466-T572 HydrophobicContact CB-CG2 4.18Å; F466-T572 HydrophobicContact CD1-CG2 3.35Å; F466-T572 HydrophobicContact CD2-CG2 4.38Å; F466-T572 HydrophobicContact CE1-CG2 3.69Å; F466-T572 HydrophobicContact CG-CG2 3.73Å; F466-T572 HydrophobicContact CZ-CG2 4.33Å; F466-L576 HydrophobicContact CB-CD1 3.69Å; F466-L576 WeakPolarHBondContact O-CD1 3.16Å
467	A	88.3	Confident	89.5	Confident	1 Å²	1	23.7 Å²	23.7	1%	0.008	14%	0.142	C	C	.	.	H	α-helix	trans	-78.5	-37.3	171.1	0	0	0	0	0	111.8	A344 A348 A464 S465 A471	A344-A467 HydrophobicContact CB-CB 4.06Å; A348-A467 HydrophobicContact CB-CB 3.9Å; A464-A467 PolarHBondContact O-N 3.15Å; S465-A467 VanDerWaalsContact C-N 3.26Å; S465-A467 PolarHBondContact O-N 3.49Å; A467-A471 WeakPolarHBondContact O-CB 3.35Å; A467-A471 PolarHBondContact O-N 3.45Å
468	A	90.6	Very high	89.1	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-69.2	-49.6	177.4	0	0	0	0	0	112.4	D439 A464 S465 A470 A471 V472 L519 V523	D439-A468 HydrophobicContact CB-CB 3.53Å; A464-A468 PolarHBondContact O-N 3.01Å; S465-A468 CarbonylContact O-C 3.52Å; S465-A468 PolarHBondContact O-N 2.92Å; S465-A468 VanDerWaalsContact O-N 3.07Å; A468-A470 VanDerWaalsContact C-N 3.29Å; A468-A470 PolarHBondContact O-N 3.31Å; A468-A471 CarbonylContact O-C 3.59Å; A468-A471 WeakPolarHBondContact O-CA 3.33Å; A468-A471 VanDerWaalsContact O-CB 3.31Å; A468-A471 WeakPolarHBondContact O-CB 3.37Å; A468-A471 PolarHBondContact O-N 3.02Å; A468-V472 WeakPolarHBondContact O-CG2 3.24Å; A468-V472 PolarHBondContact O-N 2.85Å; A468-L519 HydrophobicContact CB-CD2 4.08Å; A468-L519 HydrophobicContact CB-CG 3.92Å; A468-V523 HydrophobicContact CB-CG2 3.99Å
469	S	88.3	Confident	88.5	Confident	4 Å²	4	28.6 Å²	28.6	3%	0.028	16%	0.164	C	C	.	.	H	α-helix	trans	-62.9	-34	174.9	-50.6	0	0	0	0	112.3	D439 S465 A471 V472 V473	D439-S469 VanDerWaalsContact OD2-CA 3.29Å; D439-S469 WeakPolarHBondContact OD2-CA 3.41Å; D439-S469 WeakPolarHBondContact OD2-CB 3.19Å; D439-S469 PolarHBondContact OD2-N 3.38Å; D439-S469 PolarHBondContact OD2-OG 2.67Å; S465-S469 PolarHBondContact O-N 3.15Å; S465-S469 PolarHBondContact O-OG 3.46Å; S469-A471 VanDerWaalsContact C-N 3.33Å; S469-V472 PolarHBondContact O-N 2.92Å; S469-V473 WeakPolarHBondContact O-CB 3.31Å; S469-V473 VanDerWaalsContact O-CG2 3.31Å; S469-V473 WeakPolarHBondContact O-CG2 3.47Å; S469-V473 PolarHBondContact O-N 3.01Å
470	A	86.2	Confident	88	Confident	11 Å²	11	31.5 Å²	31.5	9%	0.091	18%	0.183	C	C	.	.	H	α-helix	trans	-67.9	-31.4	171.1	0	0	0	0	0	112.7	F466 A468 S474 L576	F466-A470 WeakPolarHBondContact O-CB 3.33Å; F466-A470 PolarHBondContact O-N 3.21Å; A468-A470 VanDerWaalsContact C-N 3.29Å; A468-A470 PolarHBondContact O-N 3.31Å; A470-S474 WeakPolarHBondContact O-CB 3.16Å; A470-S474 PolarHBondContact O-N 3.44Å; A470-S474 VanDerWaalsContact O-N 3.11Å; A470-S474 PolarHBondContact O-OG 2.97Å; A470-L576 HydrophobicContact CB-CB 4.09Å
471	A	88.4	Confident	87.6	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-70.9	-38.9	173	0	0	0	0	0	112.1	A467 A468 S469 S474 G475 K476 V516 L519	A467-A471 WeakPolarHBondContact O-CB 3.35Å; A467-A471 PolarHBondContact O-N 3.45Å; A468-A471 CarbonylContact O-C 3.59Å; A468-A471 WeakPolarHBondContact O-CA 3.33Å; A468-A471 VanDerWaalsContact O-CB 3.31Å; A468-A471 WeakPolarHBondContact O-CB 3.37Å; A468-A471 PolarHBondContact O-N 3.02Å; S469-A471 VanDerWaalsContact C-N 3.33Å; A471-S474 PolarHBondContact O-N 3.44Å; A471-G475 CarbonylContact O-C 3.56Å; A471-G475 WeakPolarHBondContact O-CA 3.43Å; A471-G475 PolarHBondContact O-N 2.91Å; A471-K476 VanDerWaalsContact CA-O 3.29Å; A471-K476 WeakPolarHBondContact CA-O 3.45Å; A471-K476 WeakPolarHBondContact CB-O 3.34Å; A471-K476 PolarHBondContact O-N 2.81Å; A471-V516 HydrophobicContact CB-CG2 4.28Å; A471-L519 HydrophobicContact CB-CD2 4.17Å
472	V	87.7	Confident	87.3	Confident	62 Å²	62	34 Å²	34	38%	0.376	20%	0.195	S	C	.	.	H	α-helix	trans	-60.1	-54.6	171.1	174.3	0	0	0	0	110.6	A468 S469 S474 G475 V516 Q520	A468-V472 WeakPolarHBondContact O-CG2 3.24Å; A468-V472 PolarHBondContact O-N 2.85Å; S469-V472 PolarHBondContact O-N 2.92Å; V472-S474 PolarHBondContact O-N 2.9Å; V472-G475 PolarHBondContact O-N 3.31Å; V472-V516 HydrophobicContact CB-CG1 4.43Å; V472-V516 HydrophobicContact CG2-CG1 3.67Å; V472-Q520 HydrophobicContact CG2-CG 3.85Å
473	V	86	Confident	86.9	Confident	73 Å²	73	37.6 Å²	37.6	44%	0.442	22%	0.22	S	C	.	.	H	α-helix	trans	-61	-28.8	-179.4	168.8	0	0	0	0	113	S469 A573 L574	S469-V473 WeakPolarHBondContact O-CB 3.31Å; S469-V473 VanDerWaalsContact O-CG2 3.31Å; S469-V473 WeakPolarHBondContact O-CG2 3.47Å; S469-V473 PolarHBondContact O-N 3.01Å; V473-A573 HydrophobicContact CG2-CB 4.09Å; V473-L574 HydrophobicContact CG1-CD2 4.24Å
474	S	84.7	Confident	86.6	Confident	67 Å²	67	38.5 Å²	38.5	47%	0.469	23%	0.228	S	C	.	.	H	α-helix	trans	-100.5	-5.8	179.7	65.6	0	0	0	0	115.1	A470 A471 V472 K476	A470-S474 WeakPolarHBondContact O-CB 3.16Å; A470-S474 PolarHBondContact O-N 3.44Å; A470-S474 VanDerWaalsContact O-N 3.11Å; A470-S474 PolarHBondContact O-OG 2.97Å; A471-S474 PolarHBondContact O-N 3.44Å; V472-S474 PolarHBondContact O-N 2.9Å; S474-K476 PolarHBondContact O-N 3.08Å; S474-K476 PolarHBondContact OG-O 3.1Å
475	G	85.2	Confident	86.3	Confident	32 Å²	32	38.4 Å²	38.4	33%	0.33	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	20.3	-174.1	0	0	0	0	0	114.6	A471 V472	A471-G475 CarbonylContact O-C 3.56Å; A471-G475 WeakPolarHBondContact O-CA 3.43Å; A471-G475 PolarHBondContact O-N 2.91Å; V472-G475 PolarHBondContact O-N 3.31Å
476	K	84.6	Confident	86	Confident	131 Å²	131	40.4 Å²	40.4	57%	0.57	24%	0.243	S	C	*	.	S	Bend	trans	-151.8	130.5	-174.5	-65.5	-164.2	175.5	-153.5	0	112.6	A471 S474	A471-K476 VanDerWaalsContact CA-O 3.29Å; A471-K476 WeakPolarHBondContact CA-O 3.45Å; A471-K476 WeakPolarHBondContact CB-O 3.34Å; A471-K476 PolarHBondContact O-N 2.81Å; S474-K476 PolarHBondContact O-N 3.08Å; S474-K476 PolarHBondContact OG-O 3.1Å
477	C	82.5	Confident	85.8	Confident	9 Å²	9	43.1 Å²	43.1	6%	0.061	27%	0.266	C	S	.	.			trans	-67.7	152.6	167.6	-69.3	0	0	0	0	111.5	E482 H515	C477-E482 HydrophobicContact CB-CB 3.88Å; C477-E482 HydrophobicContact CB-CG 4.49Å; C477-H515 PolarHBondContact SG-O 2.84Å
478	P	82.1	Confident	85.5	Confident	34 Å²	34	43.3 Å²	43.3	22%	0.221	27%	0.268	C	S	.	.			trans	-60.9	134.8	163.1	-19.1	31.6	0	0	0	109.9	I345 P480 V481 E482	I345-P478 HydrophobicContact CD1-CB 4.18Å; I345-P478 HydrophobicContact CD1-CG 4.38Å; I345-P478 HydrophobicContact CG1-CB 4.29Å; I345-P478 HydrophobicContact CG1-CG 4.15Å; P478-P480 VanDerWaalsContact C-CD 3.45Å; P478-P480 VanDerWaalsContact O-N 3.12Å; P478-V481 HydrophobicContact CB-CG2 4.21Å; P478-V481 HydrophobicContact CG-CG2 4.3Å; P478-V481 CarbonylContact O-C 3.56Å; P478-V481 WeakPolarHBondContact O-CA 3.43Å; P478-V481 WeakPolarHBondContact O-CB 3.26Å; P478-V481 PolarHBondContact O-N 3.3Å; P478-E482 PolarHBondContact O-N 3.43Å
479	E	82.7	Confident	85.1	Confident	160 Å²	160	46 Å²	46	75%	0.748	29%	0.285	S	S	*	.	H	α-helix	trans	-46.7	-44.2	-173.9	179	-165.4	-143.5	0	0	115	V481 E482 S483	E479-V481 VanDerWaalsContact C-N 3.3Å; E479-V481 PolarHBondContact O-N 3.47Å; E479-E482 PolarHBondContact O-N 3.15Å; E479-S483 PolarHBondContact O-N 3.28Å
480	P	84	Confident	84.6	Confident	68 Å²	68	50.1 Å²	50.1	44%	0.442	32%	0.318	S	S	.	.	H	α-helix	trans	-62	-38.2	177.5	-23	35	0	0	0	112.8	L349 P478 A484	L349-P480 HydrophobicContact CD1-CB 4.36Å; L349-P480 HydrophobicContact CD2-CB 4.26Å; L349-P480 WeakPolarHBondContact CD2-O 3.45Å; P478-P480 VanDerWaalsContact C-CD 3.45Å; P478-P480 VanDerWaalsContact O-N 3.12Å; P480-A484 WeakPolarHBondContact O-CB 3.46Å; P480-A484 PolarHBondContact O-N 3.49Å
481	V	85.4	Confident	84	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-74	-38.5	178.6	-173	0	0	0	0	110.2	I345 A348 L349 V352 P478 E479 S483 A484 V485 L519	I345-V481 HydrophobicContact CG2-CG2 4.15Å; A348-V481 HydrophobicContact CB-CG1 4.31Å; A348-V481 HydrophobicContact CB-CG2 4.11Å; L349-V481 HydrophobicContact CD2-CG2 4.18Å; L349-V481 HydrophobicContact CG-CG2 4.19Å; V352-V481 HydrophobicContact CG2-CG1 4.35Å; P478-V481 HydrophobicContact CB-CG2 4.21Å; P478-V481 HydrophobicContact CG-CG2 4.3Å; P478-V481 CarbonylContact O-C 3.56Å; P478-V481 WeakPolarHBondContact O-CA 3.43Å; P478-V481 WeakPolarHBondContact O-CB 3.26Å; P478-V481 PolarHBondContact O-N 3.3Å; E479-V481 VanDerWaalsContact C-N 3.3Å; E479-V481 PolarHBondContact O-N 3.47Å; V481-S483 VanDerWaalsContact C-N 3.35Å; V481-S483 PolarHBondContact O-N 2.87Å; V481-A484 PolarHBondContact O-N 2.94Å; V481-V485 HydrophobicContact CG1-CG2 4.35Å; V481-V485 WeakPolarHBondContact O-CB 3.43Å; V481-V485 VanDerWaalsContact O-CG2 3.32Å; V481-V485 WeakPolarHBondContact O-CG2 3.49Å; V481-V485 PolarHBondContact O-N 2.99Å; V481-L519 HydrophobicContact CG1-CD1 3.7Å; V481-L519 HydrophobicContact CG1-CD2 3.84Å; V481-L519 HydrophobicContact CG1-CG 4.33Å
482	E	86.7	Confident	82.9	Confident	52 Å²	52	55.4 Å²	55.4	24%	0.243	36%	0.364	C	S	.	.	H	α-helix	trans	-59.9	-44.4	173.5	-169.9	163.1	-152.2	0	0	111.5	C477 P478 E479 V485 A486 H515	C477-E482 HydrophobicContact CB-CB 3.88Å; C477-E482 HydrophobicContact CB-CG 4.49Å; P478-E482 PolarHBondContact O-N 3.43Å; E479-E482 PolarHBondContact O-N 3.15Å; E482-V485 PolarHBondContact O-N 3.29Å; E482-A486 WeakPolarHBondContact O-CB 3.4Å; E482-A486 PolarHBondContact O-N 3.11Å; E482-H515 HydrophobicContact CG-CB 4.38Å; E482-H515 WeakPolarHBondContact CG-ND1 3.35Å; E482-H515 IonicContact OE1-CE1 2.77Å; E482-H515 IonicContact OE1-CG 3.29Å; E482-H515 IonicContact OE1-ND1 3.85Å; E482-H515 PolarHBondContact OE1-ND1 3.36Å
483	S	86.3	Confident	81.6	Confident	80 Å²	80	59.6 Å²	59.6	56%	0.559	38%	0.38	S	S	*	.	H	α-helix	trans	-64.8	-38.6	174.5	-169.3	0	0	0	0	112.6	E479 V481 A487	E479-S483 PolarHBondContact O-N 3.28Å; V481-S483 VanDerWaalsContact C-N 3.35Å; V481-S483 PolarHBondContact O-N 2.87Å; S483-A487 WeakPolarHBondContact O-CB 3.19Å; S483-A487 PolarHBondContact O-N 3.49Å
484	A	86	Confident	80.3	Confident	19 Å²	19	58 Å²	58	16%	0.157	37%	0.368	C	S	.	.	H	α-helix	trans	-67.6	-43.6	177.3	0	0	0	0	0	111.9	L349 V352 P480 V481 A487 A488	L349-A484 HydrophobicContact CD2-CB 3.75Å; V352-A484 HydrophobicContact CG1-CB 3.87Å; P480-A484 WeakPolarHBondContact O-CB 3.46Å; P480-A484 PolarHBondContact O-N 3.49Å; V481-A484 PolarHBondContact O-N 2.94Å; A484-A487 PolarHBondContact O-N 3.43Å; A484-A488 WeakPolarHBondContact O-CB 3.2Å; A484-A488 PolarHBondContact O-N 2.96Å
485	V	86.1	Confident	78.6	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-63	-43.3	176.5	169.4	0	0	0	0	110.5	V352 V481 E482 A487 A488 T489 H515 M518 L519	V352-V485 HydrophobicContact CB-CG2 4.39Å; V352-V485 HydrophobicContact CG1-CB 4.38Å; V352-V485 HydrophobicContact CG1-CG2 3.74Å; V352-V485 HydrophobicContact CG2-CG2 3.66Å; V481-V485 HydrophobicContact CG1-CG2 4.35Å; V481-V485 WeakPolarHBondContact O-CB 3.43Å; V481-V485 VanDerWaalsContact O-CG2 3.32Å; V481-V485 WeakPolarHBondContact O-CG2 3.49Å; V481-V485 PolarHBondContact O-N 2.99Å; E482-V485 PolarHBondContact O-N 3.29Å; V485-A487 VanDerWaalsContact C-N 3.32Å; V485-A487 PolarHBondContact O-N 3.47Å; V485-A488 PolarHBondContact O-N 3.25Å; V485-T489 WeakPolarHBondContact O-CB 3.4Å; V485-T489 PolarHBondContact O-N 2.88Å; V485-T489 PolarHBondContact O-OG1 3.27Å; V485-H515 HydrophobicContact CG1-CB 4.47Å; V485-M518 HydrophobicContact CG1-CB 3.65Å; V485-M518 HydrophobicContact CG1-CG 4.45Å; V485-L519 HydrophobicContact CG2-CB 4.38Å
486	A	86	Confident	76.5	Confident	42 Å²	42	64.3 Å²	64.3	35%	0.347	40%	0.396	S	S	.	.	H	α-helix	trans	-61.6	-39.3	174.5	0	0	0	0	0	112.2	E482 A490	E482-A486 WeakPolarHBondContact O-CB 3.4Å; E482-A486 PolarHBondContact O-N 3.11Å; A486-A490 VanDerWaalsContact O-CB 3.29Å; A486-A490 WeakPolarHBondContact O-CB 3.16Å; A486-A490 PolarHBondContact O-N 3.16Å
487	A	84.5	Confident	74.2	Confident	59 Å²	59	61.9 Å²	61.9	49%	0.488	40%	0.401	S	S	.	.	H	α-helix	trans	-68.1	-45.9	177.1	0	0	0	0	0	112.6	S483 A484 V485 T489 A490 S491	S483-A487 WeakPolarHBondContact O-CB 3.19Å; S483-A487 PolarHBondContact O-N 3.49Å; A484-A487 PolarHBondContact O-N 3.43Å; V485-A487 VanDerWaalsContact C-N 3.32Å; V485-A487 PolarHBondContact O-N 3.47Å; A487-T489 VanDerWaalsContact C-N 3.3Å; A487-T489 PolarHBondContact O-N 3.35Å; A487-A490 PolarHBondContact O-N 3.16Å; A487-A490 VanDerWaalsContact O-N 3.14Å; A487-S491 PolarHBondContact O-N 3.42Å; A487-S491 PolarHBondContact O-OG 2.82Å
488	A	81	Confident	72.3	Confident	6 Å²	6	64.7 Å²	64.7	5%	0.05	42%	0.417	C	S	.	.	H	α-helix	trans	-66.1	-31.2	177.5	0	0	0	0	0	112.9	V352 A484 V485 S491 Q493 I494	V352-A488 HydrophobicContact CG1-CB 4.21Å; A484-A488 WeakPolarHBondContact O-CB 3.2Å; A484-A488 PolarHBondContact O-N 2.96Å; V485-A488 PolarHBondContact O-N 3.25Å; A488-S491 WeakPolarHBondContact CA-OG 3.42Å; A488-S491 PolarHBondContact O-OG 2.84Å; A488-Q493 PolarHBondContact O-N 3.17Å; A488-I494 HydrophobicContact CB-CD1 3.65Å; A488-I494 HydrophobicContact CB-CG1 4.18Å
489	T	81.7	Confident	69.8	Low	57 Å²	57	68.4 Å²	68.4	35%	0.35	44%	0.444	S	S	.	.	H	α-helix	trans	-70.3	-40.8	170.9	-52.6	0	0	0	0	110.9	V485 A487 G492	V485-T489 WeakPolarHBondContact O-CB 3.4Å; V485-T489 PolarHBondContact O-N 2.88Å; V485-T489 PolarHBondContact O-OG1 3.27Å; A487-T489 VanDerWaalsContact C-N 3.3Å; A487-T489 PolarHBondContact O-N 3.35Å; T489-G492 PolarHBondContact O-N 3.33Å
490	A	78.9	Confident	67.6	Low	89 Å²	89	66.6 Å²	66.6	74%	0.736	44%	0.438	S	S	*	.	H	α-helix	trans	-73.3	-27	179.7	0	0	0	0	0	114.1	A486 A487 G492	A486-A490 VanDerWaalsContact O-CB 3.29Å; A486-A490 WeakPolarHBondContact O-CB 3.16Å; A486-A490 PolarHBondContact O-N 3.16Å; A487-A490 PolarHBondContact O-N 3.16Å; A487-A490 VanDerWaalsContact O-N 3.14Å; A490-G492 VanDerWaalsContact C-N 3.29Å
491	S	72.4	Confident	64.9	Low	66 Å²	66	71.3 Å²	71.3	46%	0.462	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-11.9	173.8	63	0	0	0	0	113.5	A487 A488 Q493	A487-S491 PolarHBondContact O-N 3.42Å; A487-S491 PolarHBondContact O-OG 2.82Å; A488-S491 WeakPolarHBondContact CA-OG 3.42Å; A488-S491 PolarHBondContact O-OG 2.84Å; S491-Q493 PolarHBondContact O-N 2.97Å; S491-Q493 VanDerWaalsContact OG-CD 3.28Å; S491-Q493 VanDerWaalsContact OG-CG 3.3Å; S491-Q493 WeakPolarHBondContact OG-CG 3.3Å; S491-Q493 PolarHBondContact OG-N 2.86Å; S491-Q493 PolarHBondContact OG-OE1 2.74Å
492	G	67	Low	62.4	Low	58 Å²	58	76.8 Å²	76.8	60%	0.598	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	12.3	-175	0	0	0	0	0	114.2	T489 A490 I494	T489-G492 PolarHBondContact O-N 3.33Å; A490-G492 VanDerWaalsContact C-N 3.29Å; G492-I494 VanDerWaalsContact C-N 3.25Å; G492-I494 PolarHBondContact O-N 2.71Å
493	Q	58.9	Low	59.5	Low	150 Å²	150	78.9 Å²	78.9	70%	0.701	51%	0.514	S	S	*	.			trans	-70.4	-21.1	179.7	-74.4	168.6	-54.5	0	0	113.1	A488 S491	A488-Q493 PolarHBondContact O-N 3.17Å; S491-Q493 PolarHBondContact O-N 2.97Å; S491-Q493 VanDerWaalsContact OG-CD 3.28Å; S491-Q493 VanDerWaalsContact OG-CG 3.3Å; S491-Q493 WeakPolarHBondContact OG-CG 3.3Å; S491-Q493 PolarHBondContact OG-N 2.86Å; S491-Q493 PolarHBondContact OG-OE1 2.74Å
494	I	58.5	Low	56.7	Low	40 Å²	40	81.2 Å²	81.2	21%	0.205	53%	0.527	C	S	.	.	S	Bend	trans	-115.2	115	175.1	-47.8	167	0	0	0	108.5	A488 G492 M518	A488-I494 HydrophobicContact CB-CD1 3.65Å; A488-I494 HydrophobicContact CB-CG1 4.18Å; G492-I494 VanDerWaalsContact C-N 3.25Å; G492-I494 PolarHBondContact O-N 2.71Å; I494-M518 HydrophobicContact CB-CE 3.78Å; I494-M518 HydrophobicContact CD1-CE 4.04Å; I494-M518 HydrophobicContact CG2-CE 3.5Å; I494-M518 VanDerWaalsContact CG2-CE 3.5Å; I494-M518 HydrophobicContact CG2-SD 4.44Å
495	S	49.5	Very low	53.9	Low	94 Å²	94	84.3 Å²	84.3	66%	0.657	55%	0.548	S	S	*	.			trans	-71.7	145.6	171.4	52.6	0	0	0	0	111.3	A497	S495-A497 PolarHBondContact O-N 2.85Å
496	N	40.6	Very low	51.1	Low	136 Å²	136	93.3 Å²	93.3	73%	0.727	59%	0.589	S	S	*	*			trans	-71	60.5	-179.6	-68	-22.1	0	0	0	113.3	V498	N496-V498 PolarHBondContact O-N 2.79Å
497	A	37.8	Very low	48.3	Very low	80 Å²	80	98.4 Å²	98.4	66%	0.661	61%	0.609	S	S	*	*			trans	-77.1	3.3	-178.3	0	0	0	0	0	114.1	S495 S499	S495-A497 PolarHBondContact O-N 2.85Å; A497-S499 PolarHBondContact O-N 2.86Å
498	V	42.2	Very low	45.7	Very low	68 Å²	68	101.3 Å²	101.3	41%	0.412	62%	0.621	S	S	.	*			trans	-81.2	59.9	-178.8	-168.2	0	0	0	0	110.7	N496 I500 M518	N496-V498 PolarHBondContact O-N 2.79Å; V498-I500 HydrophobicContact CG1-CD1 3.59Å; V498-I500 HydrophobicContact CG1-CG1 3.72Å; V498-I500 PolarHBondContact O-N 2.96Å; V498-I500 VanDerWaalsContact O-N 3.13Å; V498-M518 HydrophobicContact CG2-SD 4.34Å
499	S	29	Very low	43.5	Very low	112 Å²	112	105.7 Å²	105.7	78%	0.783	66%	0.657	S	S	*	*			trans	-81.2	69.3	166.1	-69.5	0	0	0	0	109.7	A497 D501	A497-S499 PolarHBondContact O-N 2.86Å; S499-D501 PolarHBondContact O-N 3.39Å
500	I	37.6	Very low	41.8	Very low	122 Å²	122	107.7 Å²	107.7	63%	0.626	67%	0.666	S	S	*	*			trans	-80.1	112.6	172.7	-60	173.8	0	0	0	108	V498 T502	V498-I500 HydrophobicContact CG1-CD1 3.59Å; V498-I500 HydrophobicContact CG1-CG1 3.72Å; V498-I500 PolarHBondContact O-N 2.96Å; V498-I500 VanDerWaalsContact O-N 3.13Å; I500-T502 WeakPolarHBondContact CG2-OG1 3.32Å; I500-T502 PolarHBondContact O-N 3.14Å; I500-T502 VanDerWaalsContact O-N 3.11Å
501	D	26.5	Very low	40.9	Very low	168 Å²	168	106.7 Å²	106.7	90%	0.898	65%	0.653	S	S	*	*			trans	-64.8	108.2	168.8	-85.1	-45.9	0	0	0	109.8	S499	S499-D501 PolarHBondContact O-N 3.39Å
502	T	32.1	Very low	40.3	Very low	115 Å²	115	105.9 Å²	105.9	71%	0.706	64%	0.644	S	S	*	*			trans	-145	135.4	165.5	-34.7	0	0	0	0	109.3	I500	I500-T502 WeakPolarHBondContact CG2-OG1 3.32Å; I500-T502 PolarHBondContact O-N 3.14Å; I500-T502 VanDerWaalsContact O-N 3.11Å
503	S	26.9	Very low	40.3	Very low	95 Å²	95	108 Å²	108	66%	0.664	64%	0.641	S	S	*	*			trans	-54.4	141.4	-166.9	-53.9	0	0	0	0	113.9	S505	S503-S505 VanDerWaalsContact C-N 3.3Å; S503-S505 PolarHBondContact O-N 3.3Å
504	P	27.9	Very low	41.5	Very low	130 Å²	130	104.1 Å²	104.1	84%	0.844	63%	0.631	S	S	*	*	S	Bend	trans	-76.9	72.9	-171.2	32	-37.4	0	0	0	113.3
505	S	26.2	Very low	42.9	Very low	84 Å²	84	104.2 Å²	104.2	59%	0.587	63%	0.63	S	S	*	*	S	Bend	trans	-141.1	124.6	169.4	53.6	0	0	0	0	110.4	S503	S503-S505 VanDerWaalsContact C-N 3.3Å; S503-S505 PolarHBondContact O-N 3.3Å
506	H	27.6	Very low	44.8	Very low	189 Å²	189	100.2 Å²	100.2	88%	0.875	60%	0.602	S	S	*	*			trans	70	48.3	-179.1	-57.3	-80.6	0	0	0	117.8	T508	H506-T508 PolarHBondContact O-N 3.18Å
507	I	28	Very low	47	Very low	149 Å²	149	95 Å²	95	76%	0.764	58%	0.577	S	S	*	*			trans	-86.8	92.8	160.3	-56.6	175.8	0	0	0	110
508	T	30.3	Very low	49.5	Very low	120 Å²	120	91.6 Å²	91.6	74%	0.736	55%	0.548	S	S	*	.			trans	-91.8	117.2	150.5	35.6	0	0	0	0	108.1	H506 N510	H506-T508 PolarHBondContact O-N 3.18Å; T508-N510 VanDerWaalsContact C-N 3.31Å; T508-N510 PolarHBondContact O-N 3.35Å
509	A	34.1	Very low	51.8	Low	98 Å²	98	88.4 Å²	88.4	81%	0.81	53%	0.529	S	S	*	.			trans	-73.7	76.2	-171	0	0	0	0	0	113.1	S511	A509-S511 PolarHBondContact O-N 2.92Å
510	N	46.5	Very low	54.8	Low	98 Å²	98	85 Å²	85	52%	0.524	50%	0.501	S	S	.	.			trans	-69.9	108.9	168.7	-84.3	-20.2	0	0	0	110	T508 N512 N513	T508-N510 VanDerWaalsContact C-N 3.31Å; T508-N510 PolarHBondContact O-N 3.35Å; N510-N512 PolarHBondContact O-N 3.49Å; N510-N512 VanDerWaalsContact O-N 3.1Å; N510-N513 PolarHBondContact O-N 2.9Å; N510-N513 VanDerWaalsContact O-N 3.07Å
511	S	58.6	Low	57.2	Low	68 Å²	68	81.1 Å²	81.1	48%	0.476	49%	0.486	S	S	.	.	H	α-helix	trans	-47.6	-38.7	176.2	48.6	0	0	0	0	113.7	A509 N513 S514 H515	A509-S511 PolarHBondContact O-N 2.92Å; S511-N513 VanDerWaalsContact C-N 3.25Å; S511-N513 PolarHBondContact O-N 3.41Å; S511-S514 WeakPolarHBondContact O-CA 3.47Å; S511-S514 VanDerWaalsContact O-CB 3.27Å; S511-S514 WeakPolarHBondContact O-CB 3.47Å; S511-S514 PolarHBondContact O-N 3.06Å; S511-H515 PolarHBondContact O-N 2.92Å; S511-H515 VanDerWaalsContact O-N 3.12Å
512	N	60.7	Low	60.3	Low	50 Å²	50	73.6 Å²	73.6	27%	0.267	45%	0.447	S	S	.	.	H	α-helix	trans	-58.4	-36.9	-177.1	-46.7	-6.3	0	0	0	112.1	N510 S514 H515 V516	N510-N512 PolarHBondContact O-N 3.49Å; N510-N512 VanDerWaalsContact O-N 3.1Å; N512-S514 VanDerWaalsContact C-N 3.32Å; N512-H515 PolarHBondContact O-N 3.43Å; N512-V516 WeakPolarHBondContact O-CG2 3.29Å; N512-V516 PolarHBondContact O-N 3.37Å; N512-V516 VanDerWaalsContact O-N 3.08Å
513	N	67.3	Low	63.2	Low	102 Å²	102	68.1 Å²	68.1	55%	0.545	41%	0.414	S	S	.	.	H	α-helix	trans	-69.2	-34	179	-68.1	23.2	0	0	0	111	N510 S511 V516 A517	N510-N513 PolarHBondContact O-N 2.9Å; N510-N513 VanDerWaalsContact O-N 3.07Å; S511-N513 VanDerWaalsContact C-N 3.25Å; S511-N513 PolarHBondContact O-N 3.41Å; N513-V516 PolarHBondContact O-N 2.89Å; N513-A517 WeakPolarHBondContact O-CB 3.46Å; N513-A517 PolarHBondContact O-N 3.04Å
514	S	84	Confident	66.3	Low	69 Å²	69	64.5 Å²	64.5	48%	0.483	39%	0.391	S	S	.	.	H	α-helix	trans	-64.1	-46.8	172.9	-171.7	0	0	0	0	110.9	S511 N512 V516 A517 M518	S511-S514 WeakPolarHBondContact O-CA 3.47Å; S511-S514 VanDerWaalsContact O-CB 3.27Å; S511-S514 WeakPolarHBondContact O-CB 3.47Å; S511-S514 PolarHBondContact O-N 3.06Å; N512-S514 VanDerWaalsContact C-N 3.32Å; S514-V516 VanDerWaalsContact C-N 3.29Å; S514-V516 PolarHBondContact O-N 3.07Å; S514-A517 PolarHBondContact O-N 3.1Å; S514-M518 WeakPolarHBondContact O-CB 3.43Å; S514-M518 WeakPolarHBondContact O-CG 3.42Å; S514-M518 PolarHBondContact O-N 2.87Å
515	H	86.9	Confident	69.4	Low	41 Å²	41	62.4 Å²	62.4	19%	0.19	37%	0.37	C	S	.	.	H	α-helix	trans	-60.9	-36.8	177.9	-59.8	162.6	0	0	0	112.8	C477 E482 V485 S511 N512 L519	C477-H515 PolarHBondContact SG-O 2.84Å; E482-H515 HydrophobicContact CG-CB 4.38Å; E482-H515 WeakPolarHBondContact CG-ND1 3.35Å; E482-H515 IonicContact OE1-CE1 2.77Å; E482-H515 IonicContact OE1-CG 3.29Å; E482-H515 IonicContact OE1-ND1 3.85Å; E482-H515 PolarHBondContact OE1-ND1 3.36Å; V485-H515 HydrophobicContact CG1-CB 4.47Å; S511-H515 PolarHBondContact O-N 2.92Å; S511-H515 VanDerWaalsContact O-N 3.12Å; N512-H515 PolarHBondContact O-N 3.43Å; H515-L519 WeakPolarHBondContact O-CB 3.28Å; H515-L519 PolarHBondContact O-N 2.8Å; H515-L519 VanDerWaalsContact O-N 3.15Å
516	V	89.1	Confident	72.5	Confident	10 Å²	10	59.5 Å²	59.5	6%	0.061	35%	0.351	C	S	.	.	H	α-helix	trans	-67.3	-51.9	173.4	174.6	0	0	0	0	110.8	A471 V472 N512 N513 S514 M518 L519 Q520	A471-V516 HydrophobicContact CB-CG2 4.28Å; V472-V516 HydrophobicContact CB-CG1 4.43Å; V472-V516 HydrophobicContact CG2-CG1 3.67Å; N512-V516 WeakPolarHBondContact O-CG2 3.29Å; N512-V516 PolarHBondContact O-N 3.37Å; N512-V516 VanDerWaalsContact O-N 3.08Å; N513-V516 PolarHBondContact O-N 2.89Å; S514-V516 VanDerWaalsContact C-N 3.29Å; S514-V516 PolarHBondContact O-N 3.07Å; V516-M518 VanDerWaalsContact C-N 3.32Å; V516-M518 PolarHBondContact O-N 2.93Å; V516-L519 WeakPolarHBondContact O-CA 3.37Å; V516-L519 WeakPolarHBondContact O-CB 3.49Å; V516-L519 PolarHBondContact O-N 3.2Å; V516-Q520 HydrophobicContact CG1-CG 4.41Å; V516-Q520 WeakPolarHBondContact O-CG 3.45Å; V516-Q520 PolarHBondContact O-N 2.81Å
517	A	88.8	Confident	75.7	Confident	26 Å²	26	51.4 Å²	51.4	22%	0.215	31%	0.313	C	S	.	.	H	α-helix	trans	-59.1	-41.1	-179.5	0	0	0	0	0	112.7	N513 S514 L519 Q520 A521	N513-A517 WeakPolarHBondContact O-CB 3.46Å; N513-A517 PolarHBondContact O-N 3.04Å; S514-A517 PolarHBondContact O-N 3.1Å; A517-L519 VanDerWaalsContact C-N 3.35Å; A517-L519 PolarHBondContact O-N 3.26Å; A517-Q520 PolarHBondContact O-N 3.36Å; A517-A521 PolarHBondContact O-N 3.25Å
518	M	88.3	Confident	78.7	Confident	9 Å²	9	50.9 Å²	50.9	4%	0.044	30%	0.302	C	S	.	.	H	α-helix	trans	-63.4	-38.6	174.6	-68.5	-69.4	-78.7	0	0	111.9	V485 I494 V498 S514 V516 A521 C522	V485-M518 HydrophobicContact CG1-CB 3.65Å; V485-M518 HydrophobicContact CG1-CG 4.45Å; I494-M518 HydrophobicContact CB-CE 3.78Å; I494-M518 HydrophobicContact CD1-CE 4.04Å; I494-M518 HydrophobicContact CG2-CE 3.5Å; I494-M518 VanDerWaalsContact CG2-CE 3.5Å; I494-M518 HydrophobicContact CG2-SD 4.44Å; V498-M518 HydrophobicContact CG2-SD 4.34Å; S514-M518 WeakPolarHBondContact O-CB 3.43Å; S514-M518 WeakPolarHBondContact O-CG 3.42Å; S514-M518 PolarHBondContact O-N 2.87Å; V516-M518 VanDerWaalsContact C-N 3.32Å; V516-M518 PolarHBondContact O-N 2.93Å; M518-A521 PolarHBondContact O-N 3.46Å; M518-C522 PolarHBondContact O-N 3.1Å; M518-C522 PolarHBondContact O-SG 3.06Å
519	L	91.2	Very high	81.7	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-65.5	-42.4	172.9	175.3	60.6	0	0	0	112	A348 V352 A468 A471 V481 V485 H515 V516 A517 A521 C522 V523	A348-L519 HydrophobicContact CB-CD1 4.19Å; V352-L519 HydrophobicContact CG2-CD1 3.77Å; A468-L519 HydrophobicContact CB-CD2 4.08Å; A468-L519 HydrophobicContact CB-CG 3.92Å; A471-L519 HydrophobicContact CB-CD2 4.17Å; V481-L519 HydrophobicContact CG1-CD1 3.7Å; V481-L519 HydrophobicContact CG1-CD2 3.84Å; V481-L519 HydrophobicContact CG1-CG 4.33Å; V485-L519 HydrophobicContact CG2-CB 4.38Å; H515-L519 WeakPolarHBondContact O-CB 3.28Å; H515-L519 PolarHBondContact O-N 2.8Å; H515-L519 VanDerWaalsContact O-N 3.15Å; V516-L519 WeakPolarHBondContact O-CA 3.37Å; V516-L519 WeakPolarHBondContact O-CB 3.49Å; V516-L519 PolarHBondContact O-N 3.2Å; A517-L519 VanDerWaalsContact C-N 3.35Å; A517-L519 PolarHBondContact O-N 3.26Å; L519-A521 VanDerWaalsContact C-N 3.3Å; L519-A521 PolarHBondContact O-N 2.96Å; L519-C522 PolarHBondContact O-N 3.04Å; L519-V523 HydrophobicContact CD1-CG2 4.19Å; L519-V523 WeakPolarHBondContact O-CG2 3.46Å; L519-V523 PolarHBondContact O-N 3.3Å
520	Q	91.4	Very high	84.6	Confident	42 Å²	42	43.4 Å²	43.4	20%	0.196	25%	0.245	C	C	.	.	H	α-helix	trans	-59.1	-43.3	175.1	-59.2	178.2	-94.5	0	0	110.9	P438 D439 V472 V516 A517 V523 G524	P438-Q520 HydrophobicContact CG-CB 4.25Å; D439-Q520 HydrophobicContact CB-CB 4.15Å; D439-Q520 HydrophobicContact CB-CG 3.92Å; D439-Q520 PolarHBondContact OD1-NE2 2.89Å; V472-Q520 HydrophobicContact CG2-CG 3.85Å; V516-Q520 HydrophobicContact CG1-CG 4.41Å; V516-Q520 WeakPolarHBondContact O-CG 3.45Å; V516-Q520 PolarHBondContact O-N 2.81Å; A517-Q520 PolarHBondContact O-N 3.36Å; Q520-V523 PolarHBondContact O-N 2.94Å; Q520-G524 PolarHBondContact O-N 3.45Å; Q520-G524 VanDerWaalsContact O-N 3.1Å
521	A	89.6	Confident	86.9	Confident	39 Å²	39	38.9 Å²	38.9	32%	0.322	22%	0.221	S	C	.	.	H	α-helix	trans	-63.3	-44.4	175.6	0	0	0	0	0	112.7	A517 M518 L519 V523 G524 E525	A517-A521 PolarHBondContact O-N 3.25Å; M518-A521 PolarHBondContact O-N 3.46Å; L519-A521 VanDerWaalsContact C-N 3.3Å; L519-A521 PolarHBondContact O-N 2.96Å; A521-V523 VanDerWaalsContact C-N 3.29Å; A521-V523 PolarHBondContact O-N 3.44Å; A521-G524 PolarHBondContact O-N 2.89Å; A521-E525 WeakPolarHBondContact O-CB 3.23Å; A521-E525 PolarHBondContact O-N 2.71Å
522	C	91.4	Very high	88.6	Confident	11 Å²	11	39.9 Å²	39.9	7%	0.074	22%	0.218	C	C	.	.	H	α-helix	trans	-61.1	-36.2	176.7	-65.8	0	0	0	0	112.5	V352 M518 L519 A526	V352-C522 HydrophobicContact CG2-CB 3.92Å; M518-C522 PolarHBondContact O-N 3.1Å; M518-C522 PolarHBondContact O-SG 3.06Å; L519-C522 PolarHBondContact O-N 3.04Å; C522-A526 VanDerWaalsContact O-CB 3.26Å; C522-A526 WeakPolarHBondContact O-CB 2.86Å; C522-A526 PolarHBondContact O-N 3.45Å
523	V	93.4	Very high	90.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-71.6	-42.1	178.2	171.5	0	0	0	0	111.9	D439 A441 A464 A468 L519 Q520 A521 A526 K527	D439-V523 WeakPolarHBondContact O-CG1 3.48Å; A441-V523 HydrophobicContact CB-CG1 3.71Å; A464-V523 HydrophobicContact CB-CG1 4.41Å; A464-V523 HydrophobicContact CB-CG2 3.74Å; A468-V523 HydrophobicContact CB-CG2 3.99Å; L519-V523 HydrophobicContact CD1-CG2 4.19Å; L519-V523 WeakPolarHBondContact O-CG2 3.46Å; L519-V523 PolarHBondContact O-N 3.3Å; Q520-V523 PolarHBondContact O-N 2.94Å; A521-V523 VanDerWaalsContact C-N 3.29Å; A521-V523 PolarHBondContact O-N 3.44Å; V523-A526 PolarHBondContact O-N 3.19Å; V523-K527 PolarHBondContact O-N 2.89Å
524	G	92	Very high	91.5	Very high	19 Å²	19	35.3 Å²	35.3	20%	0.196	19%	0.189	C	C	.	.	H	α-helix	trans	-62.1	-44.3	172.8	0	0	0	0	0	112.4	P438 Q520 A521 K527 R528	P438-G524 PolarHBondContact O-N 3.24Å; Q520-G524 PolarHBondContact O-N 3.45Å; Q520-G524 VanDerWaalsContact O-N 3.1Å; A521-G524 PolarHBondContact O-N 2.89Å; G524-K527 WeakPolarHBondContact O-CB 3.32Å; G524-K527 PolarHBondContact O-N 3.14Å; G524-R528 PolarHBondContact O-N 3.14Å
525	E	91	Very high	92	Very high	85 Å²	85	32 Å²	32	40%	0.397	17%	0.166	S	C	.	.	H	α-helix	trans	-65.3	-41.6	177.7	-180	60.5	-172.1	0	0	112.1	A521 K527 R528 V529	A521-E525 WeakPolarHBondContact O-CB 3.23Å; A521-E525 PolarHBondContact O-N 2.71Å; E525-K527 VanDerWaalsContact C-N 3.29Å; E525-K527 PolarHBondContact O-N 2.98Å; E525-R528 PolarHBondContact O-N 2.97Å; E525-R528 VanDerWaalsContact O-N 3.14Å; E525-R528 IonicContact OE1-CZ 2.69Å; E525-R528 IonicContact OE1-NE 3.7Å; E525-R528 IonicContact OE1-NH2 2.68Å; E525-R528 PolarHBondContact OE1-NH2 2.86Å; E525-R528 IonicContact OE2-CZ 3.91Å; E525-R528 IonicContact OE2-NE 3.09Å; E525-R528 PolarHBondContact OE2-NE 2.94Å; E525-R528 IonicContact OE2-NH2 3.68Å; E525-R528 PolarHBondContact OE2-NH2 3.47Å; E525-V529 HydrophobicContact CG-CG2 4.23Å; E525-V529 WeakPolarHBondContact O-CB 3.18Å; E525-V529 WeakPolarHBondContact O-CG2 3.26Å; E525-V529 PolarHBondContact O-N 3.23Å; E525-V529 VanDerWaalsContact OE1-CG2 3.3Å; E525-V529 WeakPolarHBondContact OE1-CG2 3.09Å
526	A	92	Very high	92.3	Very high	23 Å²	23	34.3 Å²	34.3	19%	0.19	18%	0.177	C	C	.	.	H	α-helix	trans	-60.4	-37.6	175.4	0	0	0	0	0	112.5	A351 L462 C522 V523 F530	A351-A526 HydrophobicContact CB-CB 3.86Å; L462-A526 HydrophobicContact CD2-CB 4.16Å; C522-A526 VanDerWaalsContact O-CB 3.26Å; C522-A526 WeakPolarHBondContact O-CB 2.86Å; C522-A526 PolarHBondContact O-N 3.45Å; V523-A526 PolarHBondContact O-N 3.19Å; A526-F530 WeakPolarHBondContact O-CB 3.46Å; A526-F530 PolarHBondContact O-N 3.48Å; A526-F530 VanDerWaalsContact O-N 3.17Å
527	K	94.6	Very high	92.5	Very high	20 Å²	20	35.1 Å²	35.1	9%	0.087	18%	0.18	C	C	.	.	H	α-helix	trans	-62.7	-53.5	169.7	160.4	178.2	162.1	177.6	0	110.7	N432 F433 A441 A442 L462 V523 G524 E525 V529 F530 L531	N432-K527 WeakPolarHBondContact OD1-CE 3.28Å; N432-K527 PolarHBondContact OD1-NZ 3.4Å; F433-K527 PolarHBondContact O-NZ 3.39Å; A441-K527 HydrophobicContact CB-CB 3.84Å; A441-K527 HydrophobicContact CB-CD 3.58Å; A441-K527 HydrophobicContact CB-CG 4.32Å; A442-K527 WeakPolarHBondContact O-CE 3.35Å; A442-K527 PolarHBondContact O-NZ 3.45Å; L462-K527 HydrophobicContact CD1-CB 4.03Å; L462-K527 HydrophobicContact CD2-CB 3.94Å; V523-K527 PolarHBondContact O-N 2.89Å; G524-K527 WeakPolarHBondContact O-CB 3.32Å; G524-K527 PolarHBondContact O-N 3.14Å; E525-K527 VanDerWaalsContact C-N 3.29Å; E525-K527 PolarHBondContact O-N 2.98Å; K527-V529 PolarHBondContact O-N 3.03Å; K527-F530 PolarHBondContact O-N 2.92Å; K527-L531 HydrophobicContact CG-CD1 3.77Å; K527-L531 HydrophobicContact CG-CG 4.35Å; K527-L531 WeakPolarHBondContact O-CG 3.17Å; K527-L531 PolarHBondContact O-N 3.27Å
528	R	92.3	Very high	92.7	Very high	137 Å²	137	33.9 Å²	33.9	52%	0.517	17%	0.17	S	C	.	.	H	α-helix	trans	-56.4	-47	-178.1	-165.7	-167.7	68.9	78.6	4.8	112.5	G524 E525 L531 H532	G524-R528 PolarHBondContact O-N 3.14Å; E525-R528 PolarHBondContact O-N 2.97Å; E525-R528 VanDerWaalsContact O-N 3.14Å; E525-R528 IonicContact OE1-CZ 2.69Å; E525-R528 IonicContact OE1-NE 3.7Å; E525-R528 IonicContact OE1-NH2 2.68Å; E525-R528 PolarHBondContact OE1-NH2 2.86Å; E525-R528 IonicContact OE2-CZ 3.91Å; E525-R528 IonicContact OE2-NE 3.09Å; E525-R528 PolarHBondContact OE2-NE 2.94Å; E525-R528 IonicContact OE2-NH2 3.68Å; E525-R528 PolarHBondContact OE2-NH2 3.47Å; R528-L531 PolarHBondContact O-N 2.89Å; R528-H532 WeakPolarHBondContact O-CB 2.92Å; R528-H532 PolarHBondContact O-N 2.86Å
529	V	92.9	Very high	92.9	Very high	50 Å²	50	34.5 Å²	34.5	30%	0.303	17%	0.174	S	C	.	.	H	α-helix	trans	-64.1	-42	178.8	171.3	0	0	0	0	111.7	E525 K527 R533	E525-V529 HydrophobicContact CG-CG2 4.23Å; E525-V529 WeakPolarHBondContact O-CB 3.18Å; E525-V529 WeakPolarHBondContact O-CG2 3.26Å; E525-V529 PolarHBondContact O-N 3.23Å; E525-V529 VanDerWaalsContact OE1-CG2 3.3Å; E525-V529 WeakPolarHBondContact OE1-CG2 3.09Å; K527-V529 PolarHBondContact O-N 3.03Å; V529-R533 WeakPolarHBondContact O-CB 3.21Å; V529-R533 PolarHBondContact O-N 3Å; V529-R533 VanDerWaalsContact O-N 3.15Å
530	F	94.9	Very high	92.9	Very high	11 Å²	11	39.6 Å²	39.6	5%	0.048	20%	0.201	C	C	.	.	H	α-helix	trans	-66.7	-47	177.1	-178.7	-95.7	0	0	0	112.1	A298 L300 L320 L322 F443 A526 K527 R533 L534	A298-F530 HydrophobicContact CB-CD2 4.24Å; A298-F530 HydrophobicContact CB-CE2 4.24Å; L300-F530 HydrophobicContact CB-CD2 3.91Å; L300-F530 HydrophobicContact CB-CE2 3.75Å; L300-F530 HydrophobicContact CB-CG 4.44Å; L300-F530 HydrophobicContact CB-CZ 4.16Å; L300-F530 HydrophobicContact CD2-CB 4.36Å; L300-F530 HydrophobicContact CD2-CD1 3.65Å; L300-F530 HydrophobicContact CD2-CD2 4.1Å; L300-F530 HydrophobicContact CD2-CE1 3.89Å; L300-F530 HydrophobicContact CD2-CE2 4.31Å; L300-F530 HydrophobicContact CD2-CG 3.77Å; L300-F530 HydrophobicContact CD2-CZ 4.21Å; L300-F530 HydrophobicContact CG-CD2 4.42Å; L300-F530 HydrophobicContact CG-CG 4.5Å; L320-F530 HydrophobicContact CB-CZ 4.48Å; L320-F530 HydrophobicContact CD1-CE1 4.42Å; L320-F530 HydrophobicContact CD1-CZ 4.29Å; L322-F530 HydrophobicContact CB-CE2 4.32Å; F443-F530 HydrophobicContact CE2-CE1 4.4Å; F443-F530 HydrophobicContact CZ-CD1 4.42Å; F443-F530 HydrophobicContact CZ-CE1 4.03Å; A526-F530 WeakPolarHBondContact O-CB 3.46Å; A526-F530 PolarHBondContact O-N 3.48Å; A526-F530 VanDerWaalsContact O-N 3.17Å; K527-F530 PolarHBondContact O-N 2.92Å; F530-R533 PolarHBondContact O-N 2.97Å; F530-L534 HydrophobicContact CE1-CD2 4.26Å; F530-L534 WeakPolarHBondContact O-CB 3.44Å; F530-L534 PolarHBondContact O-N 3.13Å
531	L	94.9	Very high	92.8	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-63.3	-45.2	-179.1	-64.6	178.5	0	0	0	111.7	V430 F443 K527 R528 R533 L534 C535 L552	V430-L531 HydrophobicContact CG1-CD2 3.69Å; F443-L531 HydrophobicContact CB-CD1 4.06Å; F443-L531 HydrophobicContact CB-CD2 3.8Å; F443-L531 HydrophobicContact CD1-CD2 4.25Å; F443-L531 HydrophobicContact CD2-CD2 3.7Å; F443-L531 HydrophobicContact CE2-CD2 4.28Å; F443-L531 HydrophobicContact CG-CD2 3.67Å; K527-L531 HydrophobicContact CG-CD1 3.77Å; K527-L531 HydrophobicContact CG-CG 4.35Å; K527-L531 WeakPolarHBondContact O-CG 3.17Å; K527-L531 PolarHBondContact O-N 3.27Å; R528-L531 PolarHBondContact O-N 2.89Å; L531-R533 VanDerWaalsContact C-N 3.32Å; L531-R533 PolarHBondContact O-N 3.36Å; L531-L534 PolarHBondContact O-N 3.12Å; L531-C535 PolarHBondContact O-N 3.13Å; L531-C535 PolarHBondContact O-SG 3.01Å; L531-L552 HydrophobicContact CB-CD1 4.25Å; L531-L552 HydrophobicContact CD1-CD1 4.23Å
532	H	93.1	Very high	92.6	Very high	89 Å²	89	39.4 Å²	39.4	41%	0.412	20%	0.2	S	C	.	.	H	α-helix	trans	-60.7	-40.7	175.8	-176.6	-85.9	0	0	0	112.1	R528 H536	R528-H532 WeakPolarHBondContact O-CB 2.92Å; R528-H532 PolarHBondContact O-N 2.86Å; H532-H536 WeakPolarHBondContact O-CB 3.39Å; H532-H536 PolarHBondContact O-N 3.23Å
533	R	93.8	Very high	91.9	Very high	56 Å²	56	44.2 Å²	44.2	21%	0.211	23%	0.232	C	C	.	.	H	α-helix	trans	-68.8	-37.4	176.9	-164.5	-178.5	-64	-173.5	2.2	112.3	V297 L322 G356 S357 V529 F530 L531 H537	V297-R533 HydrophobicContact CG1-CG 3.99Å; V297-R533 PolarHBondContact O-NH1 2.97Å; L322-R533 HydrophobicContact CD2-CG 4.38Å; G356-R533 PolarHBondContact O-NH1 3.25Å; S357-R533 PolarHBondContact OG-NH2 3.07Å; V529-R533 WeakPolarHBondContact O-CB 3.21Å; V529-R533 PolarHBondContact O-N 3Å; V529-R533 VanDerWaalsContact O-N 3.15Å; F530-R533 PolarHBondContact O-N 2.97Å; L531-R533 VanDerWaalsContact C-N 3.32Å; L531-R533 PolarHBondContact O-N 3.36Å; R533-H537 PolarHBondContact O-CD2 3.17Å; R533-H537 PolarHBondContact O-N 3.4Å
534	L	95.2	Very high	91	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62	-51.6	173.4	176.3	62.7	0	0	0	110.9	L322 L424 I427 V430 L445 F530 L531 H536 H537 I538	L322-L534 HydrophobicContact CD1-CD1 3.7Å; L322-L534 HydrophobicContact CD2-CB 4.39Å; L322-L534 HydrophobicContact CD2-CD1 4.48Å; L424-L534 HydrophobicContact CD2-CD1 3.71Å; I427-L534 HydrophobicContact CD1-CD1 4.43Å; V430-L534 HydrophobicContact CG1-CD2 4.34Å; V430-L534 HydrophobicContact CG2-CD2 4.04Å; V430-L534 HydrophobicContact CG2-CG 4.32Å; L445-L534 HydrophobicContact CD2-CD2 3.58Å; F530-L534 HydrophobicContact CE1-CD2 4.26Å; F530-L534 WeakPolarHBondContact O-CB 3.44Å; F530-L534 PolarHBondContact O-N 3.13Å; L531-L534 PolarHBondContact O-N 3.12Å; L534-H536 VanDerWaalsContact C-N 3.33Å; L534-H536 PolarHBondContact O-N 3.35Å; L534-H537 PolarHBondContact O-N 3.06Å; L534-H537 VanDerWaalsContact O-N 3.15Å; L534-I538 HydrophobicContact CD1-CD1 4.09Å; L534-I538 HydrophobicContact CD1-CG1 4.36Å; L534-I538 HydrophobicContact CG-CD1 3.89Å; L534-I538 WeakPolarHBondContact O-CG1 3.41Å; L534-I538 PolarHBondContact O-N 2.92Å
535	C	94.6	Very high	90.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.2	-41.9	177.9	-65.2	0	0	0	0	112.1	L531 H537 I538 C539 P548	L531-C535 PolarHBondContact O-N 3.13Å; L531-C535 PolarHBondContact O-SG 3.01Å; C535-H537 VanDerWaalsContact C-N 3.35Å; C535-H537 PolarHBondContact O-N 3.41Å; C535-I538 PolarHBondContact O-N 2.71Å; C535-C539 PolarHBondContact O-N 2.66Å; C535-C539 PolarHBondContact O-SG 2.89Å; C535-P548 HydrophobicContact CB-CB 3.59Å; C535-P548 WeakPolarHBondContact CB-O 3.38Å
536	H	93.5	Very high	89.8	Confident	88 Å²	88	53.6 Å²	53.6	41%	0.407	27%	0.273	S	S	.	.	H	α-helix	trans	-55.1	-47.1	174	176.8	-97.4	0	0	0	112.3	H532 L534 C539 L540	H532-H536 WeakPolarHBondContact O-CB 3.39Å; H532-H536 PolarHBondContact O-N 3.23Å; L534-H536 VanDerWaalsContact C-N 3.33Å; L534-H536 PolarHBondContact O-N 3.35Å; H536-C539 PolarHBondContact O-N 2.85Å; H536-L540 WeakPolarHBondContact O-CG 3.46Å; H536-L540 PolarHBondContact O-N 2.86Å; H536-L540 VanDerWaalsContact O-N 3.13Å
537	H	93.4	Very high	89.3	Confident	28 Å²	28	56.5 Å²	56.5	13%	0.13	29%	0.285	C	S	.	.	H	α-helix	trans	-71.7	-29.5	177.6	-82.5	-90.3	0	0	0	113.7	S324 L424 R533 L534 C535 V541	S324-H537 PolarHBondContact O-ND1 3.07Å; L424-H537 HydrophobicContact CD1-CB 3.62Å; R533-H537 PolarHBondContact O-CD2 3.17Å; R533-H537 PolarHBondContact O-N 3.4Å; L534-H537 PolarHBondContact O-N 3.06Å; L534-H537 VanDerWaalsContact O-N 3.15Å; C535-H537 VanDerWaalsContact C-N 3.35Å; C535-H537 PolarHBondContact O-N 3.41Å; H537-V541 WeakPolarHBondContact O-CG2 3.49Å; H537-V541 PolarHBondContact O-N 2.75Å
538	I	93.8	Very high	88.7	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-65.1	-44.7	170.1	-63.2	163.3	0	0	0	110.2	L424 I427 V430 L534 C535 L540 V541 S542 I551	L424-I538 HydrophobicContact CB-CG1 4.01Å; L424-I538 HydrophobicContact CD2-CG1 4.01Å; L424-I538 HydrophobicContact CG-CG1 4.4Å; I427-I538 HydrophobicContact CB-CD1 4.01Å; I427-I538 HydrophobicContact CD1-CD1 4.1Å; I427-I538 HydrophobicContact CD1-CG1 4.48Å; I427-I538 HydrophobicContact CG2-CD1 3.8Å; V430-I538 HydrophobicContact CG2-CD1 3.59Å; L534-I538 HydrophobicContact CD1-CD1 4.09Å; L534-I538 HydrophobicContact CD1-CG1 4.36Å; L534-I538 HydrophobicContact CG-CD1 3.89Å; L534-I538 WeakPolarHBondContact O-CG1 3.41Å; L534-I538 PolarHBondContact O-N 2.92Å; C535-I538 PolarHBondContact O-N 2.71Å; I538-L540 PolarHBondContact O-N 3.43Å; I538-V541 PolarHBondContact O-N 2.85Å; I538-S542 VanDerWaalsContact O-CB 3.24Å; I538-S542 WeakPolarHBondContact O-CB 3.21Å; I538-S542 PolarHBondContact O-N 2.97Å; I538-S542 PolarHBondContact O-OG 3.49Å; I538-I551 HydrophobicContact CB-CD1 4.08Å; I538-I551 HydrophobicContact CG2-CD1 3.57Å
539	C	92	Very high	88.2	Confident	21 Å²	21	57.6 Å²	57.6	14%	0.142	30%	0.298	C	S	.	.	H	α-helix	trans	-59.3	-43.4	177.2	-66.6	0	0	0	0	112.5	C535 H536 V541 C543 I551	C535-C539 PolarHBondContact O-N 2.66Å; C535-C539 PolarHBondContact O-SG 2.89Å; H536-C539 PolarHBondContact O-N 2.85Å; C539-V541 PolarHBondContact O-N 3.35Å; C539-C543 PolarHBondContact O-N 2.99Å; C539-I551 VanDerWaalsContact SG-CD1 3.56Å
540	L	91.1	Very high	87.8	Confident	109 Å²	109	60.2 Å²	60.2	57%	0.571	31%	0.307	S	S	*	.	H	α-helix	trans	-60.8	-24.9	179.4	-74	176.9	0	0	0	114.4	H536 I538	H536-L540 WeakPolarHBondContact O-CG 3.46Å; H536-L540 PolarHBondContact O-N 2.86Å; H536-L540 VanDerWaalsContact O-N 3.13Å; I538-L540 PolarHBondContact O-N 3.43Å
541	V	90.6	Very high	87.5	Confident	52 Å²	52	59.8 Å²	59.8	32%	0.315	31%	0.306	S	S	.	.	H	α-helix	trans	-115.9	-33.2	-169.1	177.9	0	0	0	0	113	D325 H537 I538 C539	D325-V541 HydrophobicContact CB-CG2 4.27Å; H537-V541 WeakPolarHBondContact O-CG2 3.49Å; H537-V541 PolarHBondContact O-N 2.75Å; I538-V541 PolarHBondContact O-N 2.85Å; C539-V541 PolarHBondContact O-N 3.35Å
542	S	83.6	Confident	87.4	Confident	25 Å²	25	62 Å²	62	18%	0.175	32%	0.317	C	S	.	.	H	α-helix	trans	-91.1	-25	-175.2	70.5	0	0	0	0	114.2	I538 I544	I538-S542 VanDerWaalsContact O-CB 3.24Å; I538-S542 WeakPolarHBondContact O-CB 3.21Å; I538-S542 PolarHBondContact O-N 2.97Å; I538-S542 PolarHBondContact O-OG 3.49Å; S542-I544 PolarHBondContact O-N 3.26Å; S542-I544 PolarHBondContact OG-N 2.7Å
543	C	76.5	Confident	87.4	Confident	112 Å²	112	60.4 Å²	60.4	76%	0.757	31%	0.314	S	S	*	.			trans	52.3	17.7	-167.7	-56.5	0	0	0	0	115.1	C539 A545	C539-C543 PolarHBondContact O-N 2.99Å; C543-A545 VanDerWaalsContact C-N 3.35Å
544	I	76.5	Confident	87.3	Confident	98 Å²	98	62.5 Å²	62.5	50%	0.503	33%	0.329	S	S	.	.	S	Bend	trans	-65.4	-40.3	179.7	-70.5	168.1	0	0	0	111.1	S542	S542-I544 PolarHBondContact O-N 3.26Å; S542-I544 PolarHBondContact OG-N 2.7Å
545	A	77.8	Confident	87	Confident	14 Å²	14	63.4 Å²	63.4	12%	0.116	33%	0.334	C	S	.	.			trans	-128.2	160.3	-175.2	0	0	0	0	0	111.3	C543 E550 I551	C543-A545 VanDerWaalsContact C-N 3.35Å; A545-E550 WeakPolarHBondContact CA-OE2 3.38Å; A545-E550 HydrophobicContact CB-CB 3.77Å; A545-E550 VanDerWaalsContact CB-OE2 3.32Å; A545-E550 WeakPolarHBondContact CB-OE2 3.18Å; A545-I551 HydrophobicContact CB-CD1 3.8Å; A545-I551 HydrophobicContact CB-CG1 3.51Å
546	K	78.4	Confident	86.7	Confident	189 Å²	189	69.5 Å²	69.5	82%	0.822	36%	0.363	S	S	*	.	S	Bend	trans	-92.1	-32.4	170.2	-67.4	175.4	-175.9	169.6	0	112	E550	K546-E550 PolarHBondContact N-OE2 2.94Å
547	N	83	Confident	86.3	Confident	83 Å²	83	66.2 Å²	66.2	44%	0.444	35%	0.349	S	S	.	.	S	Bend	trans	-123.4	144.5	-174.7	-57.4	-69.1	0	0	0	110	E549 E550	N547-E549 PolarHBondContact O-N 3.2Å; N547-E550 HydrophobicContact CB-CG 4.23Å; N547-E550 PolarHBondContact N-OE2 3.43Å; N547-E550 PolarHBondContact ND2-OE1 3.28Å; N547-E550 WeakPolarHBondContact O-CB 3.32Å; N547-E550 PolarHBondContact O-N 3.35Å; N547-E550 VanDerWaalsContact O-N 3.12Å
548	P	81.3	Confident	85.8	Confident	27 Å²	27	72 Å²	72	18%	0.175	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-63	-26.2	-179.4	26	-34.1	0	0	0	113.2	C535 E550 I551 L552	C535-P548 HydrophobicContact CB-CB 3.59Å; C535-P548 WeakPolarHBondContact CB-O 3.38Å; P548-E550 VanDerWaalsContact C-N 3.27Å; P548-E550 PolarHBondContact O-N 3.1Å; P548-I551 PolarHBondContact O-N 2.97Å; P548-L552 PolarHBondContact O-N 3.34Å
549	E	82.6	Confident	85.3	Confident	153 Å²	153	79 Å²	79	72%	0.715	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-70.5	-17.6	177.4	-61.6	175.9	168.4	0	0	113.2	N547 I551	N547-E549 PolarHBondContact O-N 3.2Å; E549-I551 VanDerWaalsContact C-N 3.28Å
550	E	84.2	Confident	85	Confident	105 Å²	105	81.2 Å²	81.2	49%	0.491	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-77.9	-15.3	174.5	-66	162.2	-167.5	0	0	112.3	A545 K546 N547 P548	A545-E550 WeakPolarHBondContact CA-OE2 3.38Å; A545-E550 HydrophobicContact CB-CB 3.77Å; A545-E550 VanDerWaalsContact CB-OE2 3.32Å; A545-E550 WeakPolarHBondContact CB-OE2 3.18Å; K546-E550 PolarHBondContact N-OE2 2.94Å; N547-E550 HydrophobicContact CB-CG 4.23Å; N547-E550 PolarHBondContact N-OE2 3.43Å; N547-E550 PolarHBondContact ND2-OE1 3.28Å; N547-E550 WeakPolarHBondContact O-CB 3.32Å; N547-E550 PolarHBondContact O-N 3.35Å; N547-E550 VanDerWaalsContact O-N 3.12Å; P548-E550 VanDerWaalsContact C-N 3.27Å; P548-E550 PolarHBondContact O-N 3.1Å
551	I	88.2	Confident	84.7	Confident	3 Å²	3	76.6 Å²	76.6	2%	0.015	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-29.1	179.3	-55.5	-170.7	0	0	0	111.5	Q429 V430 I538 C539 A545 P548 E549	Q429-I551 WeakPolarHBondContact CG-O 3.39Å; V430-I551 HydrophobicContact CB-CG2 4.4Å; V430-I551 HydrophobicContact CG2-CG2 4.04Å; V430-I551 PolarHBondContact N-O 3.4Å; I538-I551 HydrophobicContact CB-CD1 4.08Å; I538-I551 HydrophobicContact CG2-CD1 3.57Å; C539-I551 VanDerWaalsContact SG-CD1 3.56Å; A545-I551 HydrophobicContact CB-CD1 3.8Å; A545-I551 HydrophobicContact CB-CG1 3.51Å; P548-I551 PolarHBondContact O-N 2.97Å; E549-I551 VanDerWaalsContact C-N 3.28Å
552	L	92.1	Very high	84.2	Confident	51 Å²	51	78 Å²	78	27%	0.267	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	119.9	179.3	-174.7	61.9	0	0	0	110.1	V430 N432 L531 P548	V430-L552 HydrophobicContact CB-CD1 4.31Å; V430-L552 HydrophobicContact CG1-CD1 3.87Å; V430-L552 WeakPolarHBondContact O-CA 3.37Å; N432-L552 HydrophobicContact CB-CD1 4.18Å; L531-L552 HydrophobicContact CB-CD1 4.25Å; L531-L552 HydrophobicContact CD1-CD1 4.23Å; P548-L552 PolarHBondContact O-N 3.34Å
553	V	92.7	Very high	84.2	Confident	55 Å²	55	78.3 Å²	78.3	33%	0.333	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	134.4	178.2	178.3	0	0	0	0	110.5	Q429 V430 V431 N432 V555	Q429-V553 HydrophobicContact CG-CG2 4.3Å; Q429-V553 VanDerWaalsContact NE2-CG2 3.27Å; V430-V553 PolarHBondContact O-N 3.15Å; V431-V553 CarbonylContact C-O 3.59Å; V431-V553 WeakPolarHBondContact CA-O 3.36Å; N432-V553 PolarHBondContact N-O 2.99Å; V553-V555 HydrophobicContact CG1-CG2 4.02Å
554	D	91.6	Very high	84.6	Confident	100 Å²	100	75.7 Å²	75.7	54%	0.535	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	128.5	176.1	-50.6	-40	0	0	0	109.5	N432	N432-D554 VanDerWaalsContact CB-OD1 3.23Å; N432-D554 WeakPolarHBondContact CB-OD1 3.41Å; N432-D554 PolarHBondContact ND2-OD1 3.41Å; N432-D554 WeakPolarHBondContact O-CA 3.31Å
555	V	90.3	Very high	85.1	Confident	18 Å²	18	71.1 Å²	71.1	11%	0.109	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	139.2	-175.2	-170.4	0	0	0	0	110.1	V431 N432 F433 D434 V553 E559 L560	V431-V555 HydrophobicContact CG1-CB 3.74Å; V431-V555 HydrophobicContact CG1-CG2 3.73Å; V431-V555 HydrophobicContact CG2-CG2 4.25Å; N432-V555 PolarHBondContact O-N 3.34Å; F433-V555 WeakPolarHBondContact CA-O 3.4Å; D434-V555 PolarHBondContact N-O 2.61Å; D434-V555 VanDerWaalsContact N-O 3.17Å; V553-V555 HydrophobicContact CG1-CG2 4.02Å; V555-E559 HydrophobicContact CG1-CB 4.03Å; V555-E559 HydrophobicContact CG1-CG 4.44Å; V555-E559 WeakPolarHBondContact CG1-OE2 3.48Å; V555-L560 HydrophobicContact CB-CD1 4.29Å; V555-L560 HydrophobicContact CG1-CD1 3.86Å; V555-L560 HydrophobicContact CG1-CG 4.2Å; V555-L560 HydrophobicContact CG2-CD1 4.41Å
556	E	88.2	Confident	85.4	Confident	129 Å²	129	72.4 Å²	72.4	60%	0.603	38%	0.377	S	S	*	.			trans	-67	136.1	172	-67.2	-168.1	173.1	0	0	110.4	E558 E559	E556-E558 PolarHBondContact O-N 3.18Å; E556-E558 VanDerWaalsContact O-N 3.12Å; E556-E559 PolarHBondContact O-N 2.79Å; E556-E559 VanDerWaalsContact O-N 3.14Å
557	P	85.5	Confident	85.7	Confident	19 Å²	19	69.7 Å²	69.7	12%	0.123	37%	0.367	C	S	.	.	H	α-helix	trans	-60.4	-28.8	-173.1	21.9	-32.8	0	0	0	113.4	F433 D434 E559 L560 L561 L565	F433-P557 HydrophobicContact CD1-CB 4.3Å; D434-P557 VanDerWaalsContact O-CD 3.3Å; D434-P557 WeakPolarHBondContact O-CD 3.39Å; P557-E559 VanDerWaalsContact C-N 3.29Å; P557-E559 PolarHBondContact O-N 3.49Å; P557-L560 PolarHBondContact O-N 3.07Å; P557-L561 HydrophobicContact CB-CD1 3.98Å; P557-L561 WeakPolarHBondContact O-CB 3.23Å; P557-L561 VanDerWaalsContact O-CG 3.32Å; P557-L561 WeakPolarHBondContact O-CG 3.49Å; P557-L561 PolarHBondContact O-N 3.25Å; P557-L565 HydrophobicContact CB-CB 4.03Å; P557-L565 HydrophobicContact CB-CD2 3.78Å; P557-L565 HydrophobicContact CG-CB 4.44Å; P557-L565 HydrophobicContact CG-CD2 4.33Å
558	E	82.3	Confident	85.7	Confident	148 Å²	148	66.2 Å²	66.2	69%	0.692	35%	0.349	S	S	*	.	H	α-helix	trans	-68.2	-21.7	-179.4	-59.6	-170.2	-169	0	0	113.8	E556	E556-E558 PolarHBondContact O-N 3.18Å; E556-E558 VanDerWaalsContact O-N 3.12Å
559	E	83.4	Confident	85.9	Confident	148 Å²	148	65 Å²	65	69%	0.692	34%	0.341	S	S	*	.	H	α-helix	trans	-73.4	-27.4	178.5	-62.6	-164	158.6	0	0	113.2	V555 E556 P557	V555-E559 HydrophobicContact CG1-CB 4.03Å; V555-E559 HydrophobicContact CG1-CG 4.44Å; V555-E559 WeakPolarHBondContact CG1-OE2 3.48Å; E556-E559 PolarHBondContact O-N 2.79Å; E556-E559 VanDerWaalsContact O-N 3.14Å; P557-E559 VanDerWaalsContact C-N 3.29Å; P557-E559 PolarHBondContact O-N 3.49Å
560	L	84.6	Confident	86	Confident	67 Å²	67	60.7 Å²	60.7	35%	0.351	32%	0.323	S	S	.	.	H	α-helix	trans	-121.4	-17.5	-172.6	-66.4	173.9	0	0	0	113.8	V431 F433 V457 V555 P557	V431-L560 HydrophobicContact CB-CD1 4.46Å; V431-L560 HydrophobicContact CG1-CD1 3.98Å; V431-L560 HydrophobicContact CG2-CD1 3.89Å; F433-L560 HydrophobicContact CE1-CB 4.16Å; F433-L560 HydrophobicContact CE1-CD1 4.12Å; V457-L560 HydrophobicContact CG2-CD2 4.27Å; V555-L560 HydrophobicContact CB-CD1 4.29Å; V555-L560 HydrophobicContact CG1-CD1 3.86Å; V555-L560 HydrophobicContact CG1-CG 4.2Å; V555-L560 HydrophobicContact CG2-CD1 4.41Å; P557-L560 PolarHBondContact O-N 3.07Å
561	L	84.6	Confident	85.8	Confident	12 Å²	12	58.6 Å²	58.6	6%	0.063	32%	0.324	C	S	.	.			trans	-109.2	120	177.3	-51.9	179.9	0	0	0	109.4	F433 A459 P557 F563 L565	F433-L561 HydrophobicContact CE1-CG 4.4Å; F433-L561 HydrophobicContact CE2-CD1 4.14Å; F433-L561 HydrophobicContact CE2-CD2 4.25Å; F433-L561 HydrophobicContact CE2-CG 4.44Å; F433-L561 HydrophobicContact CZ-CD1 4.17Å; F433-L561 HydrophobicContact CZ-CD2 3.87Å; F433-L561 HydrophobicContact CZ-CG 4.01Å; A459-L561 HydrophobicContact CB-CD2 3.52Å; P557-L561 HydrophobicContact CB-CD1 3.98Å; P557-L561 WeakPolarHBondContact O-CB 3.23Å; P557-L561 VanDerWaalsContact O-CG 3.32Å; P557-L561 WeakPolarHBondContact O-CG 3.49Å; P557-L561 PolarHBondContact O-N 3.25Å; L561-F563 HydrophobicContact CB-CD1 4.13Å; L561-F563 HydrophobicContact CB-CE1 3.86Å; L561-F563 HydrophobicContact CB-CE2 4.41Å; L561-F563 HydrophobicContact CB-CZ 4Å; L561-F563 HydrophobicContact CD1-CE2 4.15Å; L561-F563 HydrophobicContact CD1-CZ 3.93Å; L561-F563 HydrophobicContact CD2-CE1 4.21Å; L561-F563 HydrophobicContact CD2-CZ 4.13Å; L561-F563 HydrophobicContact CG-CE1 4.44Å; L561-F563 HydrophobicContact CG-CZ 4.25Å; L561-F563 PolarHBondContact O-N 2.93Å; L561-L565 HydrophobicContact CD1-CB 4.12Å; L561-L565 HydrophobicContact CD1-CD1 4.36Å; L561-L565 HydrophobicContact CD1-CD2 4.05Å; L561-L565 HydrophobicContact CD1-CG 4.41Å
562	G	80.6	Confident	85.2	Confident	81 Å²	81	60.3 Å²	60.3	84%	0.835	33%	0.334	S	S	*	.	S	Bend	trans	-71.1	31.4	174.1	0	0	0	0	0	114.5
563	F	83.9	Confident	84.4	Confident	32 Å²	32	57.9 Å²	57.9	14%	0.14	32%	0.322	C	S	.	.	S	Bend	trans	-162.1	151	-178.8	61.4	-89.3	0	0	0	111.4	L305 V307 T313 L561 L565 V568	L305-F563 HydrophobicContact CB-CZ 4.14Å; V307-F563 HydrophobicContact CG2-CD1 3.46Å; V307-F563 VanDerWaalsContact CG2-CD1 3.46Å; V307-F563 HydrophobicContact CG2-CE1 3.99Å; V307-F563 HydrophobicContact CG2-CG 4.4Å; T313-F563 HydrophobicContact CG2-CB 3.47Å; T313-F563 VanDerWaalsContact CG2-CB 3.47Å; T313-F563 HydrophobicContact CG2-CD1 4.2Å; T313-F563 HydrophobicContact CG2-CD2 3.49Å; T313-F563 VanDerWaalsContact CG2-CD2 3.49Å; T313-F563 HydrophobicContact CG2-CE2 4.28Å; T313-F563 HydrophobicContact CG2-CG 3.45Å; T313-F563 VanDerWaalsContact CG2-CG 3.45Å; L561-F563 HydrophobicContact CB-CD1 4.13Å; L561-F563 HydrophobicContact CB-CE1 3.86Å; L561-F563 HydrophobicContact CB-CE2 4.41Å; L561-F563 HydrophobicContact CB-CZ 4Å; L561-F563 HydrophobicContact CD1-CE2 4.15Å; L561-F563 HydrophobicContact CD1-CZ 3.93Å; L561-F563 HydrophobicContact CD2-CE1 4.21Å; L561-F563 HydrophobicContact CD2-CZ 4.13Å; L561-F563 HydrophobicContact CG-CE1 4.44Å; L561-F563 HydrophobicContact CG-CZ 4.25Å; L561-F563 PolarHBondContact O-N 2.93Å; F563-L565 HydrophobicContact CE2-CD1 4.36Å; F563-L565 PolarHBondContact O-N 2.88Å; F563-V568 HydrophobicContact CD2-CG2 4.09Å; F563-V568 HydrophobicContact CE2-CG2 4.09Å
564	D	85.1	Confident	83.5	Confident	57 Å²	57	60.5 Å²	60.5	31%	0.305	33%	0.333	S	S	.	.			trans	-66.3	112.5	172	178.4	-22.2	0	0	0	110.8	E566 Q567	D564-E566 VanDerWaalsContact OD1-CA 3.3Å; D564-E566 WeakPolarHBondContact OD1-CA 3.46Å; D564-E566 VanDerWaalsContact OD1-CB 3.3Å; D564-E566 WeakPolarHBondContact OD1-CB 3.35Å; D564-E566 PolarHBondContact OD1-N 3.15Å; D564-Q567 HydrophobicContact CB-CB 4.19Å; D564-Q567 HydrophobicContact CB-CG 4.17Å; D564-Q567 PolarHBondContact OD1-N 3.04Å; D564-Q567 VanDerWaalsContact OD2-CG 3.29Å; D564-Q567 WeakPolarHBondContact OD2-CG 3.3Å; D564-Q567 PolarHBondContact OD2-NE2 3.42Å
565	L	86	Confident	82.6	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.016	33%	0.329	C	S	.	.	H	α-helix	trans	-71.8	-30.5	177.8	178.8	60.7	0	0	0	112.8	L305 T435 A442 P557 L561 F563 V568 F569	L305-L565 HydrophobicContact CD1-CD1 3.7Å; T435-L565 HydrophobicContact CG2-CD2 4.02Å; A442-L565 HydrophobicContact CB-CD2 3.79Å; P557-L565 HydrophobicContact CB-CB 4.03Å; P557-L565 HydrophobicContact CB-CD2 3.78Å; P557-L565 HydrophobicContact CG-CB 4.44Å; P557-L565 HydrophobicContact CG-CD2 4.33Å; L561-L565 HydrophobicContact CD1-CB 4.12Å; L561-L565 HydrophobicContact CD1-CD1 4.36Å; L561-L565 HydrophobicContact CD1-CD2 4.05Å; L561-L565 HydrophobicContact CD1-CG 4.41Å; F563-L565 HydrophobicContact CE2-CD1 4.36Å; F563-L565 PolarHBondContact O-N 2.88Å; L565-V568 WeakPolarHBondContact O-CB 3.14Å; L565-V568 PolarHBondContact O-N 3.36Å; L565-V568 VanDerWaalsContact O-N 3.12Å; L565-F569 HydrophobicContact CD1-CD2 4.34Å; L565-F569 HydrophobicContact CD1-CE2 3.92Å; L565-F569 HydrophobicContact CD2-CE2 4.09Å; L565-F569 HydrophobicContact CG-CD2 4.07Å; L565-F569 HydrophobicContact CG-CE2 3.75Å; L565-F569 WeakPolarHBondContact O-CD2 3.25Å; L565-F569 PolarHBondContact O-N 3.45Å; L565-F569 VanDerWaalsContact O-N 3.15Å
566	E	85.5	Confident	81.6	Confident	40 Å²	40	58.7 Å²	58.7	19%	0.187	33%	0.33	C	S	.	.	H	α-helix	trans	-69.5	-36	179.3	-75.9	-71	-169.2	0	0	111.3	A436 R440 D564 V568 F569 N570	A436-E566 WeakPolarHBondContact CB-OE1 3.39Å; A436-E566 PolarHBondContact N-OE1 3.42Å; R440-E566 VanDerWaalsContact CD-OE1 3.25Å; R440-E566 WeakPolarHBondContact CD-OE1 3.3Å; R440-E566 WeakPolarHBondContact CD-OE2 3.3Å; R440-E566 IonicContact CZ-OE1 3.56Å; R440-E566 IonicContact CZ-OE2 2.82Å; R440-E566 IonicContact NE-OE1 3.76Å; R440-E566 IonicContact NE-OE2 2.99Å; R440-E566 PolarHBondContact NE-OE2 3.27Å; R440-E566 IonicContact NH1-OE1 2.81Å; R440-E566 PolarHBondContact NH1-OE1 3.12Å; R440-E566 IonicContact NH1-OE2 2.82Å; R440-E566 PolarHBondContact NH1-OE2 2.74Å; R440-E566 IonicContact NH2-OE2 3.45Å; R440-E566 PolarHBondContact NH2-OE2 3.15Å; D564-E566 VanDerWaalsContact OD1-CA 3.3Å; D564-E566 WeakPolarHBondContact OD1-CA 3.46Å; D564-E566 VanDerWaalsContact OD1-CB 3.3Å; D564-E566 WeakPolarHBondContact OD1-CB 3.35Å; D564-E566 PolarHBondContact OD1-N 3.15Å; E566-V568 VanDerWaalsContact C-N 3.27Å; E566-V568 PolarHBondContact O-N 2.88Å; E566-F569 PolarHBondContact O-N 3.34Å; E566-N570 WeakPolarHBondContact O-CB 3.45Å; E566-N570 VanDerWaalsContact O-CG 3.24Å; E566-N570 PolarHBondContact O-N 2.96Å; E566-N570 PolarHBondContact O-ND2 3.34Å
567	Q	84.3	Confident	80.4	Confident	132 Å²	132	54.1 Å²	54.1	62%	0.617	31%	0.312	S	S	*	.	H	α-helix	trans	-57.3	-38.6	167.6	-81.3	176	59.8	0	0	112.3	D564 A571	D564-Q567 HydrophobicContact CB-CB 4.19Å; D564-Q567 HydrophobicContact CB-CG 4.17Å; D564-Q567 PolarHBondContact OD1-N 3.04Å; D564-Q567 VanDerWaalsContact OD2-CG 3.29Å; D564-Q567 WeakPolarHBondContact OD2-CG 3.3Å; D564-Q567 PolarHBondContact OD2-NE2 3.42Å; Q567-A571 WeakPolarHBondContact O-CB 3.33Å; Q567-A571 PolarHBondContact O-N 2.89Å
568	V	83.6	Confident	79.3	Confident	11 Å²	11	55.8 Å²	55.8	7%	0.067	33%	0.325	C	S	.	.	H	α-helix	trans	-66.3	-45.3	178	-177.6	0	0	0	0	111.4	L305 T313 F563 L565 E566 T572	L305-V568 HydrophobicContact CD2-CG1 4.28Å; T313-V568 HydrophobicContact CG2-CG2 4.14Å; F563-V568 HydrophobicContact CD2-CG2 4.09Å; F563-V568 HydrophobicContact CE2-CG2 4.09Å; L565-V568 WeakPolarHBondContact O-CB 3.14Å; L565-V568 PolarHBondContact O-N 3.36Å; L565-V568 VanDerWaalsContact O-N 3.12Å; E566-V568 VanDerWaalsContact C-N 3.27Å; E566-V568 PolarHBondContact O-N 2.88Å; V568-T572 VanDerWaalsContact O-CB 3.32Å; V568-T572 WeakPolarHBondContact O-CB 3.34Å; V568-T572 PolarHBondContact O-N 2.79Å; V568-T572 VanDerWaalsContact O-N 3.15Å; V568-T572 PolarHBondContact O-OG1 3.22Å
569	F	85.2	Confident	77.8	Confident	1 Å²	1	56.3 Å²	56.3	0%	0.004	33%	0.325	C	S	.	.	H	α-helix	trans	-63.5	-48.2	175.7	-76.9	-62.2	0	0	0	112	T435 R440 A442 C461 F466 L565 E566 T572 A573	T435-F569 HydrophobicContact CG2-CE2 4.47Å; R440-F569 HydrophobicContact CB-CD1 4.48Å; R440-F569 HydrophobicContact CB-CD2 3.82Å; R440-F569 HydrophobicContact CB-CE1 4.41Å; R440-F569 HydrophobicContact CB-CE2 3.7Å; R440-F569 HydrophobicContact CB-CG 4.22Å; R440-F569 HydrophobicContact CB-CZ 4.02Å; R440-F569 HydrophobicContact CG-CB 4.28Å; R440-F569 HydrophobicContact CG-CD1 4.29Å; R440-F569 HydrophobicContact CG-CD2 3.92Å; R440-F569 HydrophobicContact CG-CE2 4.3Å; R440-F569 HydrophobicContact CG-CG 3.91Å; R440-F569 VanDerWaalsContact O-CE2 3.26Å; R440-F569 WeakPolarHBondContact O-CE2 3.5Å; R440-F569 WeakPolarHBondContact O-CZ 3.45Å; A442-F569 HydrophobicContact CB-CE2 4.4Å; A442-F569 HydrophobicContact CB-CZ 4.22Å; C461-F569 HydrophobicContact CB-CE1 3.97Å; C461-F569 HydrophobicContact CB-CZ 3.68Å; F466-F569 HydrophobicContact CD1-CD1 4.03Å; F466-F569 HydrophobicContact CD1-CE1 4.45Å; F466-F569 AromaticContact CE1-CD1 3.68Å; F466-F569 HydrophobicContact CE1-CD1 3.68Å; F466-F569 HydrophobicContact CE1-CE1 4.02Å; F466-F569 HydrophobicContact CZ-CD1 4.48Å; F466-F569 HydrophobicContact CZ-CE1 4.42Å; L565-F569 HydrophobicContact CD1-CD2 4.34Å; L565-F569 HydrophobicContact CD1-CE2 3.92Å; L565-F569 HydrophobicContact CD2-CE2 4.09Å; L565-F569 HydrophobicContact CG-CD2 4.07Å; L565-F569 HydrophobicContact CG-CE2 3.75Å; L565-F569 WeakPolarHBondContact O-CD2 3.25Å; L565-F569 PolarHBondContact O-N 3.45Å; L565-F569 VanDerWaalsContact O-N 3.15Å; E566-F569 PolarHBondContact O-N 3.34Å; F569-T572 PolarHBondContact O-N 3Å; F569-A573 WeakPolarHBondContact O-CB 3.45Å; F569-A573 PolarHBondContact O-N 2.85Å
570	N	83.8	Confident	75.9	Confident	63 Å²	63	59.5 Å²	59.5	34%	0.337	33%	0.33	S	S	.	.	H	α-helix	trans	-66.5	-44.6	-176.8	-68.3	-46	0	0	0	112.2	R440 E566 T572 A573 L574	R440-N570 PolarHBondContact NH2-OD1 3.34Å; E566-N570 WeakPolarHBondContact O-CB 3.45Å; E566-N570 VanDerWaalsContact O-CG 3.24Å; E566-N570 PolarHBondContact O-N 2.96Å; E566-N570 PolarHBondContact O-ND2 3.34Å; N570-T572 VanDerWaalsContact C-N 3.32Å; N570-T572 PolarHBondContact O-N 3.43Å; N570-A573 PolarHBondContact O-N 2.96Å; N570-L574 WeakPolarHBondContact O-CB 3.44Å; N570-L574 VanDerWaalsContact O-CG 3.28Å; N570-L574 WeakPolarHBondContact O-CG 3.19Å; N570-L574 PolarHBondContact O-N 2.99Å
571	A	80.4	Confident	73.9	Confident	61 Å²	61	60.1 Å²	60.1	50%	0.504	33%	0.333	S	S	.	.	H	α-helix	trans	-61.1	-41.3	175.8	0	0	0	0	0	111.9	Q567 A575	Q567-A571 WeakPolarHBondContact O-CB 3.33Å; Q567-A571 PolarHBondContact O-N 2.89Å; A571-A575 WeakPolarHBondContact O-CB 3.4Å; A571-A575 PolarHBondContact O-N 3.14Å
572	T	75.7	Confident	71.7	Confident	38 Å²	38	62.5 Å²	62.5	23%	0.233	35%	0.349	C	S	.	.	H	α-helix	trans	-71.3	-42.5	-179.9	-52	0	0	0	0	111.7	F466 V568 F569 N570 L574 A575 L576	F466-T572 HydrophobicContact CB-CG2 4.18Å; F466-T572 HydrophobicContact CD1-CG2 3.35Å; F466-T572 HydrophobicContact CD2-CG2 4.38Å; F466-T572 HydrophobicContact CE1-CG2 3.69Å; F466-T572 HydrophobicContact CG-CG2 3.73Å; F466-T572 HydrophobicContact CZ-CG2 4.33Å; V568-T572 VanDerWaalsContact O-CB 3.32Å; V568-T572 WeakPolarHBondContact O-CB 3.34Å; V568-T572 PolarHBondContact O-N 2.79Å; V568-T572 VanDerWaalsContact O-N 3.15Å; V568-T572 PolarHBondContact O-OG1 3.22Å; F569-T572 PolarHBondContact O-N 3Å; N570-T572 VanDerWaalsContact C-N 3.32Å; N570-T572 PolarHBondContact O-N 3.43Å; T572-L574 VanDerWaalsContact C-N 3.33Å; T572-L574 PolarHBondContact O-N 2.97Å; T572-A575 PolarHBondContact O-N 3.41Å; T572-L576 HydrophobicContact CG2-CD1 3.94Å; T572-L576 HydrophobicContact CG2-CG 4.35Å; T572-L576 WeakPolarHBondContact O-CB 3.27Å; T572-L576 VanDerWaalsContact O-CG 3.23Å; T572-L576 WeakPolarHBondContact O-CG 3.49Å; T572-L576 PolarHBondContact O-N 3.36Å
573	A	74.5	Confident	69.6	Low	1 Å²	1	67.9 Å²	67.9	1%	0.008	34%	0.343	C	S	.	.	H	α-helix	trans	-61.8	-38.2	175.4	0	0	0	0	0	112.6	V473 F569 N570 S577	V473-A573 HydrophobicContact CG2-CB 4.09Å; F569-A573 WeakPolarHBondContact O-CB 3.45Å; F569-A573 PolarHBondContact O-N 2.85Å; N570-A573 PolarHBondContact O-N 2.96Å; A573-S577 WeakPolarHBondContact O-CB 3.29Å; A573-S577 PolarHBondContact O-N 2.82Å; A573-S577 PolarHBondContact O-OG 2.86Å
574	L	75.1	Confident	67.2	Low	109 Å²	109	73.3 Å²	73.3	57%	0.571	37%	0.369	S	S	*	.	H	α-helix	trans	-67.7	-39.8	173.7	-71.9	170.2	0	0	0	112.5	V473 N570 T572 S577 S578	V473-L574 HydrophobicContact CG1-CD2 4.24Å; N570-L574 WeakPolarHBondContact O-CB 3.44Å; N570-L574 VanDerWaalsContact O-CG 3.28Å; N570-L574 WeakPolarHBondContact O-CG 3.19Å; N570-L574 PolarHBondContact O-N 2.99Å; T572-L574 VanDerWaalsContact C-N 3.33Å; T572-L574 PolarHBondContact O-N 2.97Å; L574-S577 PolarHBondContact O-OG 2.91Å; L574-S578 PolarHBondContact O-N 3.3Å
575	A	72.1	Confident	64.7	Low	55 Å²	55	73.4 Å²	73.4	46%	0.455	37%	0.369	S	S	.	.	H	α-helix	trans	-62.3	-43.9	174.6	0	0	0	0	0	111.9	A571 T572 S578	A571-A575 WeakPolarHBondContact O-CB 3.4Å; A571-A575 PolarHBondContact O-N 3.14Å; T572-A575 PolarHBondContact O-N 3.41Å; A575-S578 WeakPolarHBondContact O-CB 3.43Å
576	L	68.3	Low	62.2	Low	25 Å²	25	77.9 Å²	77.9	13%	0.131	40%	0.397	C	S	.	.	H	α-helix	trans	-73.6	-34.1	-177.4	-65.5	173.1	0	0	0	113.6	L341 F466 A470 T572 S578	L341-L576 HydrophobicContact CB-CD2 3.62Å; L341-L576 HydrophobicContact CD1-CB 4.33Å; L341-L576 HydrophobicContact CD1-CD2 3.93Å; L341-L576 HydrophobicContact CG-CD2 4.28Å; F466-L576 HydrophobicContact CB-CD1 3.69Å; F466-L576 WeakPolarHBondContact O-CD1 3.16Å; A470-L576 HydrophobicContact CB-CB 4.09Å; T572-L576 HydrophobicContact CG2-CD1 3.94Å; T572-L576 HydrophobicContact CG2-CG 4.35Å; T572-L576 WeakPolarHBondContact O-CB 3.27Å; T572-L576 VanDerWaalsContact O-CG 3.23Å; T572-L576 WeakPolarHBondContact O-CG 3.49Å; T572-L576 PolarHBondContact O-N 3.36Å; L576-S578 VanDerWaalsContact C-N 3.27Å; L576-S578 PolarHBondContact O-N 3.12Å
577	S	63.7	Low	59.7	Low	33 Å²	33	86.1 Å²	86.1	23%	0.231	43%	0.426	C	S	.	.	H	α-helix	trans	-78.1	-6.6	177.8	57.8	0	0	0	0	114.2	A573 L574 K579	A573-S577 WeakPolarHBondContact O-CB 3.29Å; A573-S577 PolarHBondContact O-N 2.82Å; A573-S577 PolarHBondContact O-OG 2.86Å; L574-S577 PolarHBondContact O-OG 2.91Å; S577-K579 PolarHBondContact O-N 3.21Å; S577-K579 VanDerWaalsContact O-N 3.09Å
578	S	62.1	Low	57.2	Low	55 Å²	55	86.5 Å²	86.5	39%	0.385	43%	0.433	S	S	.	.			trans	-66.8	107.5	-177.9	-172.4	0	0	0	0	113.1	L574 A575 L576 R580 I581	L574-S578 PolarHBondContact O-N 3.3Å; A575-S578 WeakPolarHBondContact O-CB 3.43Å; L576-S578 VanDerWaalsContact C-N 3.27Å; L576-S578 PolarHBondContact O-N 3.12Å; S578-R580 PolarHBondContact O-N 3.25Å; S578-I581 PolarHBondContact O-N 3.17Å
579	K	51.5	Low	54.7	Low	158 Å²	158	92.9 Å²	92.9	69%	0.687	47%	0.465	S	S	*	.	H	α-helix	trans	-55.3	-12.3	-173.8	-67	168.6	-177	164.3	0	115.9	S577 R583	S577-K579 PolarHBondContact O-N 3.21Å; S577-K579 VanDerWaalsContact O-N 3.09Å; K579-R583 WeakPolarHBondContact O-CB 3.43Å; K579-R583 WeakPolarHBondContact O-CG 3.28Å; K579-R583 PolarHBondContact O-N 2.99Å
580	R	43.9	Very low	52	Low	215 Å²	215	96.9 Å²	96.9	81%	0.811	49%	0.493	S	S	*	.	H	α-helix	trans	-66.6	-43	170.7	-81.1	-173.9	174.9	175.8	0.2	111.7	S578	S578-R580 PolarHBondContact O-N 3.25Å
581	I	42.2	Very low	49.6	Very low	81 Å²	81	100 Å²	100	42%	0.415	51%	0.509	S	S	.	.	H	α-helix	trans	-69	-49.3	-179.7	-66.4	169.9	0	0	0	109.5	S578 R583 Q584 L585	S578-I581 PolarHBondContact O-N 3.17Å; I581-R583 VanDerWaalsContact C-N 3.31Å; I581-R583 PolarHBondContact O-N 2.82Å; I581-Q584 PolarHBondContact O-N 2.79Å; I581-Q584 VanDerWaalsContact O-N 3.13Å; I581-L585 HydrophobicContact CG2-CD1 3.72Å; I581-L585 HydrophobicContact CG2-CG 4.35Å; I581-L585 WeakPolarHBondContact O-CG 3.34Å; I581-L585 PolarHBondContact O-N 2.82Å; I581-L585 VanDerWaalsContact O-N 3.07Å
582	T	38.7	Very low	47	Very low	62 Å²	62	107.5 Å²	107.5	38%	0.38	53%	0.53	S	S	.	.	H	α-helix	trans	-55.5	-43.1	-179.9	-19.6	0	0	0	0	112.6	Q584 L585 T586	T582-Q584 VanDerWaalsContact C-N 3.33Å; T582-Q584 PolarHBondContact O-N 3.24Å; T582-L585 PolarHBondContact O-N 3.41Å; T582-T586 PolarHBondContact O-N 3.26Å; T582-T586 VanDerWaalsContact O-N 3.12Å; T582-T586 PolarHBondContact O-OG1 3.45Å; T582-T586 VanDerWaalsContact O-OG1 3.06Å
583	R	35.9	Very low	44.8	Very low	193 Å²	193	110.8 Å²	110.8	73%	0.728	55%	0.55	S	S	*	*	H	α-helix	trans	-73.3	-17.3	-177.8	-74.7	179.8	173	-172.1	-1.7	114.8	K579 I581	K579-R583 WeakPolarHBondContact O-CB 3.43Å; K579-R583 WeakPolarHBondContact O-CG 3.28Å; K579-R583 PolarHBondContact O-N 2.99Å; I581-R583 VanDerWaalsContact C-N 3.31Å; I581-R583 PolarHBondContact O-N 2.82Å
584	Q	34.1	Very low	42.7	Very low	147 Å²	147	116.9 Å²	116.9	69%	0.687	59%	0.589	S	S	*	*	H	α-helix	trans	-85.4	-37.4	167.2	-76.4	-178.2	-43.3	0	0	111.3	I581 T582 R587	I581-Q584 PolarHBondContact O-N 2.79Å; I581-Q584 VanDerWaalsContact O-N 3.13Å; T582-Q584 VanDerWaalsContact C-N 3.33Å; T582-Q584 PolarHBondContact O-N 3.24Å; Q584-R587 PolarHBondContact O-N 2.81Å
585	L	33	Very low	40.6	Very low	58 Å²	58	123.6 Å²	123.6	30%	0.304	61%	0.607	S	S	.	*	H	α-helix	trans	-61.8	-48.3	179	-71.1	169.7	0	0	0	113.1	L341 I581 T582 R587 N588	L341-L585 HydrophobicContact CD2-CD1 3.74Å; I581-L585 HydrophobicContact CG2-CD1 3.72Å; I581-L585 HydrophobicContact CG2-CG 4.35Å; I581-L585 WeakPolarHBondContact O-CG 3.34Å; I581-L585 PolarHBondContact O-N 2.82Å; I581-L585 VanDerWaalsContact O-N 3.07Å; T582-L585 PolarHBondContact O-N 3.41Å; L585-R587 PolarHBondContact O-N 2.63Å; L585-R587 VanDerWaalsContact O-N 3.13Å; L585-N588 PolarHBondContact O-N 3.49Å
586	T	32.7	Very low	38.6	Very low	98 Å²	98	132.7 Å²	132.7	60%	0.601	63%	0.63	S	S	*	*	H	α-helix	trans	-61.5	-26.3	-178.8	-36.1	0	0	0	0	113	T582	T582-T586 PolarHBondContact O-N 3.26Å; T582-T586 VanDerWaalsContact O-N 3.12Å; T582-T586 PolarHBondContact O-OG1 3.45Å; T582-T586 VanDerWaalsContact O-OG1 3.06Å
587	R	34.1	Very low	36.8	Very low	212 Å²	212	139.4 Å²	139.4	80%	0.8	67%	0.665	S	S	*	*	H	α-helix	trans	-77.4	-20.6	176.4	-88.5	-176.8	167.7	144.2	-2.3	114.3	Q584 L585	Q584-R587 PolarHBondContact O-N 2.81Å; L585-R587 PolarHBondContact O-N 2.63Å; L585-R587 VanDerWaalsContact O-N 3.13Å
588	N	30.2	Very low	35.4	Very low	141 Å²	141	143.9 Å²	143.9	75%	0.754	69%	0.693	S	S	*	*	H	α-helix	trans	-92.2	-6.3	178.9	-70.9	-18.5	0	0	0	113.4	L585	L585-N588 PolarHBondContact O-N 3.49Å
589	I	32.4	Very low	33.9	Very low	144 Å²	144	146.3 Å²	146.3	74%	0.738	72%	0.716	S	S	*	*	H	α-helix	trans	-106.7	-14.9	178.5	-61	173.3	0	0	0	111.4	I591	I589-I591 PolarHBondContact O-N 2.99Å; I589-I591 VanDerWaalsContact O-N 3.16Å
590	S	28.5	Very low	33.1	Very low	85 Å²	85	144.6 Å²	144.6	59%	0.594	72%	0.724	S	S	*	*	S	Bend	trans	-82.7	95.5	-177.6	-163	0	0	0	0	113.7
591	I	32.3	Very low	32.4	Very low	129 Å²	129	139.3 Å²	139.3	66%	0.662	73%	0.726	S	S	*	*			trans	51.8	101.2	143.5	-46.2	177.9	0	0	0	117.6	I589 T593	I589-I591 PolarHBondContact O-N 2.99Å; I589-I591 VanDerWaalsContact O-N 3.16Å; I591-T593 HydrophobicContact CG2-CG2 3.63Å; I591-T593 WeakPolarHBondContact CG2-OG1 3.31Å; I591-T593 PolarHBondContact O-N 2.91Å
592	K	26	Very low	32.1	Very low	219 Å²	219	145.1 Å²	145.1	95%	0.952	75%	0.749	S	S	*	*			trans	-74.7	84	157.4	-82.4	-179.5	176.6	170	0	111.3
593	T	30.6	Very low	31.6	Very low	107 Å²	107	154 Å²	154	66%	0.656	78%	0.775	S	S	*	*			trans	-126.6	123.6	162.7	52.4	0	0	0	0	110.9	I591	I591-T593 HydrophobicContact CG2-CG2 3.63Å; I591-T593 WeakPolarHBondContact CG2-OG1 3.31Å; I591-T593 PolarHBondContact O-N 2.91Å
594	P	28.6	Very low	31.6	Very low	128 Å²	128	153.3 Å²	153.3	83%	0.831	78%	0.78	S	S	*	*			trans	-82.4	132	-173.2	31.9	-34.2	0	0	0	112.6
595	R	31.9	Very low	31.5	Very low	251 Å²	251	156.3 Å²	156.3	95%	0.947	79%	0.792	S	S	*	*			trans	-133.9	153.3	162	-75	-164.6	173.2	-157.7	-1.1	111.6
596	R	29.7	Very low	31.4	Very low	245 Å²	245	157.1 Å²	157.1	93%	0.925	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-70.5	150.4	-167.1	-67.4	173.3	169.5	174.4	-5.7	113.5
597	L	31.2	Very low	31.4	Very low	167 Å²	167	157 Å²	157	87%	0.874	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-86.8	139.9	157.5	-66.2	171.1	0	0	0	110.5
598	P	34	Very low	31.4	Very low	127 Å²	127	155.8 Å²	155.8	83%	0.825	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-79.6	155.2	151	-1.4	20.7	0	0	0	110
599	A	30	Very low	32.2	Very low	105 Å²	105	154.4 Å²	154.4	87%	0.868	83%	0.825	S	S	*	*			trans	-113.8	140.6	-177.1	0	0	0	0	0	112.8
600	S	34.5	Very low	32.6	Very low	122 Å²	122	152.9 Å²	152.9	85%	0.853	83%	0.825	S	S	*	*			trans	-161.2	111.5	149.7	-171.2	0	0	0	0	111.1
601	A	29.9	Very low	33	Very low	104 Å²	104	157.6 Å²	157.6	86%	0.86	84%	0.837	S	S	*	*			trans	-149.8	93.2	167.2	0	0	0	0	0	109
602	K	35.2	Very low	33.9	Very low	204 Å²	204	156.1 Å²	156.1	89%	0.887	84%	0.836	S	S	*	*			trans	-85.1	124.2	171.4	-83.1	-175.2	174.5	-179.7	0	110.1
603	R	29.7	Very low	34.6	Very low	248 Å²	248	151 Å²	151	94%	0.936	83%	0.825	S	S	*	*			trans	-162.7	139.7	146.8	-108.1	168.3	-165	-148.1	1.4	110
604	Q	35.8	Very low	35	Very low	178 Å²	178	151.2 Å²	151.2	83%	0.832	83%	0.831	S	S	*	*			trans	-128.1	134.7	166.9	-80.9	-176.7	-38.4	0	0	109
605	F	31.7	Very low	35.3	Very low	211 Å²	211	151.5 Å²	151.5	93%	0.925	83%	0.83	S	S	*	*			trans	27.4	132.3	143.9	-67.5	-88.7	0	0	0	121.7
606	G	30.5	Very low	35.7	Very low	75 Å²	75	144.4 Å²	144.4	77%	0.773	82%	0.817	S	S	*	*			trans	173.6	73.1	167	0	0	0	0	0	117
607	A	32.2	Very low	35.9	Very low	95 Å²	95	138.8 Å²	138.8	79%	0.785	81%	0.81	S	S	*	*			trans	30.9	135.7	152	0	0	0	0	0	125.3
608	Q	33.9	Very low	35.9	Very low	186 Å²	186	134.9 Å²	134.9	87%	0.869	80%	0.797	S	S	*	*			trans	92.9	127	134	-152	159.7	-6.2	0	0	122.3
609	P	47	Very low	36.1	Very low	112 Å²	112	136.8 Å²	136.8	73%	0.727	79%	0.794	S	S	*	*			trans	-111.3	177.3	172.6	45.1	-36.7	0	0	0	112.9
610	P	41.1	Very low	36.4	Very low	113 Å²	113	141.7 Å²	141.7	73%	0.734	79%	0.79	S	S	*	*				-159.6	155.2	84.6	41.3	-20.1	0	0	0	120.8
611	Q	37.3	Very low	36.5	Very low	183 Å²	183	142.5 Å²	142.5	86%	0.855	78%	0.784	S	S	*	*			trans	65.2	156.3	136	-66.7	-76.1	-42.6	0	0	125.5
612	P	51.1	Low	36.8	Very low	99 Å²	99	144.6 Å²	144.6	64%	0.643	78%	0.776	S	S	*	*			trans	-115	-163.2	-177.5	42.3	-26.2	0	0	0	113.9
613	P	41.4	Very low	36.9	Very low	111 Å²	111	140.2 Å²	140.2	72%	0.721	77%	0.766	S	S	*	*				-160.3	177.9	95.4	41.5	-20.7	0	0	0	120.2
614	S	39.1	Very low	37.7	Very low	112 Å²	112	133.5 Å²	133.5	78%	0.783	75%	0.754	S	S	*	*			trans	84.3	145.4	144.8	52.7	0	0	0	0	125.2
615	T	33.7	Very low	37.9	Very low	133 Å²	133	131.7 Å²	131.7	82%	0.816	75%	0.749	S	S	*	*			trans	-123.2	-156.9	177.2	52.6	0	0	0	0	108.5
616	P	40	Very low	38.1	Very low	102 Å²	102	129.6 Å²	129.6	66%	0.662	74%	0.742	S	S	*	*			cis	-146.3	-171.2	-2.4	36	-10.2	0	0	0	118.8
617	T	33.7	Very low	38.4	Very low	127 Å²	127	132.9 Å²	132.9	78%	0.779	74%	0.739	S	S	*	*			trans	75.5	116.1	143.7	37.2	0	0	0	0	127.2
618	S	33.1	Very low	38.6	Very low	85 Å²	85	134.5 Å²	134.5	59%	0.594	73%	0.734	S	S	*	*				92.5	150.9	115.4	-156.6	0	0	0	0	125.1
619	H	38	Very low	38.6	Very low	167 Å²	167	133.2 Å²	133.2	77%	0.773	73%	0.729	S	S	*	*			trans	79.5	150.8	166.8	-52.7	-65	0	0	0	118.7
620	R	34.9	Very low	38	Very low	209 Å²	209	130.9 Å²	130.9	79%	0.789	72%	0.715	S	S	*	*			cis	-166.3	147.8	0.3	-129.5	-172.6	165.6	-172.8	-4.2	113.2
621	L	36.1	Very low	37.7	Very low	138 Å²	138	133.4 Å²	133.4	72%	0.723	72%	0.717	S	S	*	*			trans	63.4	159.1	156	-56.1	173.4	0	0	0	119.2
622	H	37.4	Very low	37.4	Very low	149 Å²	149	130.5 Å²	130.5	69%	0.69	71%	0.712	S	S	*	*			cis	-157.5	159.4	6.1	-142.9	-100.8	0	0	0	108
623	V	38.1	Very low	36.5	Very low	112 Å²	112	131.2 Å²	131.2	68%	0.679	72%	0.715	S	S	*	*			cis	97.1	135.9	12.8	168.1	0	0	0	0	115.2
624	P	46.5	Very low	35.9	Very low	106 Å²	106	132.7 Å²	132.7	69%	0.688	72%	0.716	S	S	*	*			cis	-142.4	-145.6	-23.6	43.4	-21	0	0	0	115.4
625	I	38.1	Very low	35.3	Very low	140 Å²	140	133.5 Å²	133.5	72%	0.718	71%	0.709	S	S	*	*			trans	119	95.9	163.2	-65.3	171.5	0	0	0	114.1
626	E	36.2	Very low	35.3	Very low	168 Å²	168	136.9 Å²	136.9	79%	0.785	71%	0.709	S	S	*	*				85.5	149.6	96.5	-73.4	172.3	172.2	0	0	114.8
627	M	38.2	Very low	34.8	Very low	144 Å²	144	137.9 Å²	137.9	71%	0.709	71%	0.708	S	S	*	*			cis	-158.9	155.5	9.3	-129.5	168.3	81.2	0	0	112.5
628	D	35.7	Very low	34.7	Very low	128 Å²	128	138.4 Å²	138.4	68%	0.684	70%	0.704	S	S	*	*			trans	50.1	159.5	147.1	-65.4	5.8	0	0	0	122.9
629	E	34.6	Very low	34.7	Very low	160 Å²	160	139.8 Å²	139.8	75%	0.748	71%	0.711	S	S	*	*			cis	-171.4	169.3	-8.8	-100.2	-93.1	109.3	0	0	106
630	S	33.4	Very low	34.4	Very low	63 Å²	63	136.7 Å²	136.7	44%	0.441	71%	0.708	S	S	.	*			cis	-171.6	-161.4	-28.9	63.4	0	0	0	0	111.1
631	Q	35.5	Very low	34.6	Very low	166 Å²	166	132.1 Å²	132.1	78%	0.776	71%	0.706	S	S	*	*			trans	67.7	113.9	169.8	-67.3	167.2	62.9	0	0	117.5
632	T	30.6	Very low	34.5	Very low	121 Å²	121	137.8 Å²	137.8	74%	0.742	72%	0.718	S	S	*	*				70.8	137.8	69.7	62.9	0	0	0	0	114.6
633	T	32.5	Very low	34.3	Very low	115 Å²	115	142.6 Å²	142.6	71%	0.706	73%	0.73	S	S	*	*			cis	-163.1	166.1	20.8	-14.6	0	0	0	0	112.5
634	D	29.4	Very low	33.8	Very low	142 Å²	142	141.7 Å²	141.7	76%	0.759	73%	0.728	S	S	*	*			trans	24.6	153.5	139.3	-72.6	-6.6	0	0	0	123.8
635	M	26.4	Very low	33.2	Very low	128 Å²	128	145 Å²	145	63%	0.631	74%	0.736	S	S	*	*			cis	-169.2	-159	-19.5	-144.7	-158.1	76.2	0	0	109.4	L637	M635-L637 HydrophobicContact CE-CD1 3.63Å
636	Y	32.7	Very low	32.6	Very low	205 Å²	205	146 Å²	146	80%	0.804	74%	0.743	S	S	*	*			trans	76.5	154.7	169.2	-51.5	-85.3	0	0	0	119.6
637	L	30.8	Very low	32.3	Very low	123 Å²	123	141.8 Å²	141.8	64%	0.644	74%	0.744	S	S	*	*				-162.2	124.5	-51.3	-137	121.8	0	0	0	112.2	M635	M635-L637 HydrophobicContact CE-CD1 3.63Å
638	I	30.8	Very low	31.8	Very low	137 Å²	137	140.1 Å²	140.1	70%	0.703	75%	0.746	S	S	*	*			trans	23.9	141.7	139.8	-60	171.6	0	0	0	119.5
639	P	33.7	Very low	31.6	Very low	115 Å²	115	143.3 Å²	143.3	75%	0.747	75%	0.754	S	S	*	*			cis	-132.1	157.3	36.1	14.7	12.8	0	0	0	116.7
640	S	31.4	Very low	31.2	Very low	101 Å²	101	143.4 Å²	143.4	71%	0.706	76%	0.759	S	S	*	*				76.2	157.2	55.8	-60	0	0	0	0	115.8
641	P	37.8	Very low	30.9	Very low	114 Å²	114	143.8 Å²	143.8	74%	0.74	77%	0.773	S	S	*	*			cis	-136.9	162.8	-13.2	35.5	-17	0	0	0	116.9
642	R	34.8	Very low	30.8	Very low	257 Å²	257	141.7 Å²	141.7	97%	0.97	78%	0.776	S	S	*	*			trans	-138.8	132.7	134.6	-80.3	-161.7	173.8	-174.1	-1.2	109.7
643	R	32.9	Very low	30.6	Very low	250 Å²	250	140.5 Å²	140.5	94%	0.943	77%	0.773	S	S	*	*			trans	-101.9	155.6	-170.5	-113.2	-174.1	-179.4	-166.5	1.5	113.1
644	S	28.2	Very low	30.4	Very low	92 Å²	92	141 Å²	141	64%	0.643	78%	0.78	S	S	*	*			trans	-74.9	157.9	168.1	-179.3	0	0	0	0	112
645	M	32.9	Very low	30.3	Very low	176 Å²	176	140.9 Å²	140.9	87%	0.867	79%	0.785	S	S	*	*				-156.4	138.1	122.9	-89.2	-50.2	-88.4	0	0	110.2
646	L	27.1	Very low	30.6	Very low	162 Å²	162	139.4 Å²	139.4	85%	0.848	79%	0.787	S	S	*	*			trans	-83.2	143.8	158.6	-94.6	75.2	0	0	0	109
647	G	29.5	Very low	30.7	Very low	79 Å²	79	136.4 Å²	136.4	81%	0.814	78%	0.784	S	S	*	*			trans	-165.6	108.2	173.9	0	0	0	0	0	111.8
648	S	27.4	Very low	30.7	Very low	108 Å²	108	134.2 Å²	134.2	76%	0.755	78%	0.779	S	S	*	*			trans	-74.4	143.2	170.5	-52.1	0	0	0	0	110.3
649	F	30.6	Very low	31	Very low	195 Å²	195	132.7 Å²	132.7	86%	0.855	77%	0.773	S	S	*	*				170	129	121.9	-92.7	-66.5	0	0	0	113
650	L	27.3	Very low	31.2	Very low	163 Å²	163	135 Å²	135	85%	0.853	77%	0.771	S	S	*	*			trans	15.3	120.8	151.7	-60.3	168.6	0	0	0	121.2
651	G	26.7	Very low	31.5	Very low	70 Å²	70	135.9 Å²	135.9	72%	0.722	77%	0.767	S	S	*	*			trans	114.2	148	130.7	0	0	0	0	0	118.2
652	S	32.7	Very low	31.3	Very low	122 Å²	122	134.1 Å²	134.1	85%	0.853	75%	0.751	S	S	*	*			trans	59.7	140.4	160	-51.5	0	0	0	0	119.1
653	S	27.5	Very low	31.5	Very low	96 Å²	96	126.4 Å²	126.4	67%	0.671	73%	0.733	S	S	*	*			cis	164.3	115.9	-31.5	46.6	0	0	0	0	107.2
654	C	28.8	Very low	31.7	Very low	127 Å²	127	117.8 Å²	117.8	86%	0.858	72%	0.716	S	S	*	*			trans	65.7	170.1	160.8	-64.2	0	0	0	0	120.6
655	T	27.4	Very low	32.1	Very low	138 Å²	138	119.3 Å²	119.3	85%	0.847	72%	0.716	S	S	*	*			trans	60	85.9	169.2	55.6	0	0	0	0	119.3
656	S	31.5	Very low	32.2	Very low	98 Å²	98	119.5 Å²	119.5	69%	0.685	71%	0.707	S	S	*	*			trans	-160.7	71.5	149	-178.3	0	0	0	0	112.3
657	L	34.1	Very low	32.8	Very low	141 Å²	141	117.1 Å²	117.1	74%	0.738	70%	0.699	S	S	*	*	S	Bend	trans	-130.4	-18.5	174.8	-127.4	155.8	0	0	0	113.3	N659	L657-N659 VanDerWaalsContact C-N 3.35Å
658	S	31.9	Very low	33.2	Very low	78 Å²	78	120.5 Å²	120.5	55%	0.545	70%	0.699	S	S	.	*	H	α-helix	trans	-69.7	-26.1	172.7	48.8	0	0	0	0	114.6	N662	S658-N662 PolarHBondContact O-ND2 3.34Å; S658-N662 VanDerWaalsContact O-ND2 3.09Å
659	N	36.6	Very low	33.6	Very low	105 Å²	105	122 Å²	122	56%	0.561	70%	0.698	S	S	*	*	H	α-helix	trans	-89.3	-21.1	-168	-61.9	5.6	0	0	0	112.6	L657 T663	L657-N659 VanDerWaalsContact C-N 3.35Å; N659-T663 PolarHBondContact O-OG1 2.8Å
660	F	37.5	Very low	33.7	Very low	164 Å²	164	119.8 Å²	119.8	72%	0.719	70%	0.695	S	S	*	*	H	α-helix	trans	-76.1	-47.7	-179.3	-154.4	-103.7	0	0	0	111.5	N662 T663 A664	F660-N662 VanDerWaalsContact C-N 3.26Å; F660-N662 PolarHBondContact O-N 3.15Å; F660-T663 WeakPolarHBondContact O-CB 3.46Å; F660-T663 PolarHBondContact O-N 3.37Å; F660-A664 PolarHBondContact O-N 3.24Å
661	L	39	Very low	34	Very low	118 Å²	118	120 Å²	120	62%	0.618	70%	0.697	S	S	*	*	H	α-helix	trans	-59.4	-35.7	175	-71.3	166.6	0	0	0	112.6	T663 L665	L661-T663 PolarHBondContact O-N 3.12Å; L661-L665 PolarHBondContact O-N 2.95Å
662	N	34.2	Very low	34.3	Very low	77 Å²	77	124.3 Å²	124.3	41%	0.412	70%	0.703	S	S	.	*	H	α-helix	trans	-67.5	-14	174.8	-96.2	-85.5	0	0	0	114.4	S658 F660 R666	S658-N662 PolarHBondContact O-ND2 3.34Å; S658-N662 VanDerWaalsContact O-ND2 3.09Å; F660-N662 VanDerWaalsContact C-N 3.26Å; F660-N662 PolarHBondContact O-N 3.15Å; N662-R666 WeakPolarHBondContact O-CD 3.36Å; N662-R666 WeakPolarHBondContact O-CG 3.44Å; N662-R666 PolarHBondContact O-NE 3.32Å; N662-R666 VanDerWaalsContact O-NE 3.11Å; N662-R666 PolarHBondContact OD1-NH2 3.01Å
663	T	37.9	Very low	34.3	Very low	95 Å²	95	126.1 Å²	126.1	58%	0.583	70%	0.703	S	S	*	*	H	α-helix	trans	-94	-43.7	-178	-54.7	0	0	0	0	111	N659 F660 L661 L665 R666	N659-T663 PolarHBondContact O-OG1 2.8Å; F660-T663 WeakPolarHBondContact O-CB 3.46Å; F660-T663 PolarHBondContact O-N 3.37Å; L661-T663 PolarHBondContact O-N 3.12Å; T663-L665 VanDerWaalsContact C-N 3.33Å; T663-L665 PolarHBondContact O-N 2.82Å; T663-R666 PolarHBondContact O-N 3.34Å
664	A	36.7	Very low	34.6	Very low	70 Å²	70	129.1 Å²	129.1	58%	0.579	71%	0.71	S	S	*	*	H	α-helix	trans	-64.7	-32.9	176.4	0	0	0	0	0	113.4	F660 R666 T667	F660-A664 PolarHBondContact O-N 3.24Å; A664-R666 VanDerWaalsContact C-N 3.34Å; A664-R666 PolarHBondContact O-N 3.12Å; A664-T667 PolarHBondContact O-OG1 3.46Å
665	L	36.7	Very low	34.9	Very low	124 Å²	124	129.7 Å²	129.7	65%	0.649	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-5.6	179.8	-66.7	172.9	0	0	0	114.4	L661 T663	L661-L665 PolarHBondContact O-N 2.95Å; T663-L665 VanDerWaalsContact C-N 3.33Å; T663-L665 PolarHBondContact O-N 2.82Å
666	R	35.3	Very low	35.4	Very low	179 Å²	179	132 Å²	132	68%	0.675	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	-8.8	-178.3	-75.3	179.9	-163.2	-148.3	1.5	114.7	N662 T663 A664	N662-R666 WeakPolarHBondContact O-CD 3.36Å; N662-R666 WeakPolarHBondContact O-CG 3.44Å; N662-R666 PolarHBondContact O-NE 3.32Å; N662-R666 VanDerWaalsContact O-NE 3.11Å; N662-R666 PolarHBondContact OD1-NH2 3.01Å; T663-R666 PolarHBondContact O-N 3.34Å; A664-R666 VanDerWaalsContact C-N 3.34Å; A664-R666 PolarHBondContact O-N 3.12Å
667	T	39.1	Very low	35.5	Very low	112 Å²	112	131 Å²	131	69%	0.687	71%	0.71	S	S	*	*	S	Bend	trans	-89.7	-12.9	179.8	45.4	0	0	0	0	114.5	A664	A664-T667 PolarHBondContact O-OG1 3.46Å
668	N	37.6	Very low	35.4	Very low	151 Å²	151	131.4 Å²	131.4	81%	0.807	71%	0.713	S	S	*	*	S	Bend	trans	-107.3	5.3	-177.1	-92.2	8	0	0	0	115.5
669	N	36	Very low	35.4	Very low	139 Å²	139	133.2 Å²	133.2	74%	0.743	73%	0.726	S	S	*	*	S	Bend	trans	-122.6	38.1	-172.1	-88.7	-59	0	0	0	113.8
670	N	33.2	Very low	35.2	Very low	148 Å²	148	132.5 Å²	132.5	79%	0.791	73%	0.734	S	S	*	*			trans	-145.2	37.6	-174.5	-142.3	8.1	0	0	0	115
671	L	34	Very low	35.1	Very low	169 Å²	169	131.7 Å²	131.7	89%	0.885	74%	0.737	S	S	*	*			trans	-133	58.5	176.7	-85	172.4	0	0	0	111.4
672	N	32.2	Very low	34.7	Very low	160 Å²	160	132.7 Å²	132.7	86%	0.856	74%	0.743	S	S	*	*	S	Bend	trans	-163.4	59.6	169.6	-109.9	-23.5	0	0	0	114.7
673	N	33.1	Very low	34.4	Very low	159 Å²	159	140.5 Å²	140.5	85%	0.85	77%	0.766	S	S	*	*			trans	177.6	129.1	144.6	-107.9	-62.1	0	0	0	113.9
674	I	34.8	Very low	34.2	Very low	159 Å²	159	140 Å²	140	82%	0.815	77%	0.772	S	S	*	*			trans	154.6	117.8	133.3	-81.3	160.3	0	0	0	109
675	N	35.3	Very low	34.1	Very low	140 Å²	140	145 Å²	145	75%	0.749	79%	0.786	S	S	*	*			trans	-92.9	153.2	175.1	-83.1	-45.7	0	0	0	111.8
676	H	37.1	Very low	33.9	Very low	187 Å²	187	147 Å²	147	87%	0.866	80%	0.796	S	S	*	*			trans	65.3	135.7	167.3	-51.7	-58.6	0	0	0	117.7
677	G	32.8	Very low	34.3	Very low	76 Å²	76	144 Å²	144	78%	0.784	80%	0.8	S	S	*	*			trans	178.2	16.3	-179.1	0	0	0	0	0	120.2
678	N	32.7	Very low	34.3	Very low	150 Å²	150	144 Å²	144	80%	0.802	80%	0.802	S	S	*	*			trans	34	106.3	163.2	-68.4	-11.1	0	0	0	121.4
679	S	31.8	Very low	34.1	Very low	116 Å²	116	141.5 Å²	141.5	81%	0.811	80%	0.796	S	S	*	*				74.2	165.6	125.5	78.3	0	0	0	0	121.5
680	A	33	Very low	33.9	Very low	89 Å²	89	145.4 Å²	145.4	74%	0.736	80%	0.8	S	S	*	*			trans	70.1	136.7	178.4	0	0	0	0	0	116.3
681	L	34.3	Very low	33.8	Very low	148 Å²	148	145.6 Å²	145.6	78%	0.775	80%	0.8	S	S	*	*			cis	-153.2	117.3	-1.5	-120.9	171.1	0	0	0	112.8
682	N	30.7	Very low	33.7	Very low	138 Å²	138	141.2 Å²	141.2	74%	0.738	79%	0.789	S	S	*	*			trans	35.3	145.7	144.9	-76.9	-31.2	0	0	0	125.5
683	R	28.6	Very low	33.7	Very low	241 Å²	241	142 Å²	142	91%	0.909	79%	0.789	S	S	*	*			trans	74.9	144.4	152.3	-75.3	173.2	164.9	159.5	-4.3	118
684	A	34.5	Very low	33.5	Very low	86 Å²	86	140.3 Å²	140.3	71%	0.711	79%	0.785	S	S	*	*			cis	-169	173.7	-17	0	0	0	0	0	108
685	M	34.5	Very low	33.6	Very low	174 Å²	174	137.6 Å²	137.6	86%	0.857	78%	0.778	S	S	*	*			cis	-129.7	151.4	3	-79.4	-172.2	-178.3	0	0	108.6
686	L	30.8	Very low	33.4	Very low	167 Å²	167	140.9 Å²	140.9	87%	0.874	79%	0.785	S	S	*	*				55.2	126	75.9	-76.1	178.1	0	0	0	117.2
687	P	44.8	Very low	33.1	Very low	115 Å²	115	137.5 Å²	137.5	75%	0.747	78%	0.78	S	S	*	*			trans	-107.4	170.7	-174.2	41.9	-37.1	0	0	0	115.3
688	P	39.7	Very low	33.1	Very low	112 Å²	112	142 Å²	142	73%	0.727	78%	0.784	S	S	*	*			trans	-104.7	133.8	165.4	37.7	-29	0	0	0	112.6
689	S	32.1	Very low	32.9	Very low	98 Å²	98	145.9 Å²	145.9	69%	0.685	79%	0.788	S	S	*	*				65.8	133.4	108.3	-68.4	0	0	0	0	116.7
690	R	31.3	Very low	32.9	Very low	221 Å²	221	151.5 Å²	151.5	83%	0.834	79%	0.791	S	S	*	*			cis	-165.4	176.9	10.3	-99.5	161.7	-161.9	-165.6	0.6	107
691	L	33	Very low	32.8	Very low	152 Å²	152	154.7 Å²	154.7	80%	0.796	80%	0.795	S	S	*	*			cis	-157.4	-165.9	5.6	-129.2	171.1	0	0	0	110.2
692	A	29.9	Very low	32.8	Very low	78 Å²	78	154.3 Å²	154.3	65%	0.645	79%	0.793	S	S	*	*			trans	2.4	138.2	151	0	0	0	0	0	121.1
693	M	33.6	Very low	32.9	Very low	175 Å²	175	153.4 Å²	153.4	86%	0.862	80%	0.795	S	S	*	*			cis	-144	167	3.1	-65.1	-162.4	72.6	0	0	113.3
694	T	28.3	Very low	32.8	Very low	124 Å²	124	152.7 Å²	152.7	76%	0.761	79%	0.792	S	S	*	*			trans	-129.8	-175.4	164.1	70.2	0	0	0	0	107.7
695	P	36.4	Very low	32.7	Very low	103 Å²	103	153.8 Å²	153.8	67%	0.669	79%	0.794	S	S	*	*			cis	-133.9	176.7	-9.3	41.5	-26.4	0	0	0	114.3
696	K	32.4	Very low	32.4	Very low	208 Å²	208	150.1 Å²	150.1	90%	0.904	79%	0.786	S	S	*	*			trans	-168.9	109.6	139.7	-110.5	163.2	-173.1	174.2	0	112.8
697	P	29.1	Very low	32.5	Very low	117 Å²	117	153.5 Å²	153.5	76%	0.76	79%	0.787	S	S	*	*			trans	-98.5	143.9	170.6	35.6	-30.4	0	0	0	111.9
698	I	34.6	Very low	31.7	Very low	169 Å²	169	156.5 Å²	156.5	87%	0.867	79%	0.791	S	S	*	*			trans	-126.3	119	165.8	-65.4	-177	0	0	0	109.5
699	R	27.7	Very low	31.2	Very low	232 Å²	232	159.4 Å²	159.4	88%	0.875	80%	0.801	S	S	*	*			trans	-82.1	147.4	168.6	-68.3	170.8	166.1	168.9	-6.7	110.1
700	R	31.2	Very low	31.1	Very low	234 Å²	234	159.8 Å²	159.8	88%	0.883	80%	0.803	S	S	*	*			trans	150.6	141.8	145.8	-82.7	156.1	-178.6	-168.7	2.1	108.4
701	L	32.2	Very low	31	Very low	156 Å²	156	157.2 Å²	157.2	82%	0.817	80%	0.799	S	S	*	*			cis	-157.4	146.4	-11.5	-111.6	165.7	0	0	0	108.3
702	L	32.7	Very low	31	Very low	140 Å²	140	156.7 Å²	156.7	73%	0.733	80%	0.797	S	S	*	*			trans	-91.4	149.6	160.7	-85.8	165.3	0	0	0	108.8
703	P	34.1	Very low	31	Very low	119 Å²	119	159.3 Å²	159.3	77%	0.773	80%	0.8	S	S	*	*				-134.1	149.5	92.5	37.1	-25.8	0	0	0	112.4
704	R	25.9	Very low	31	Very low	227 Å²	227	158.8 Å²	158.8	86%	0.857	80%	0.8	S	S	*	*			cis	66.2	94.5	46.2	-84.5	-164.7	169.2	-164.4	-2.2	115.8
705	S	32.7	Very low	31.1	Very low	108 Å²	108	160.1 Å²	160.1	76%	0.755	80%	0.802	S	S	*	*			trans	-162	102.8	143.8	174.9	0	0	0	0	107.9
706	S	27.7	Very low	31.1	Very low	98 Å²	98	163 Å²	163	69%	0.685	81%	0.811	S	S	*	*			cis	83.3	92.7	49.1	80.1	0	0	0	0	115.2
707	R	32.2	Very low	31.2	Very low	237 Å²	237	159.1 Å²	159.1	89%	0.894	80%	0.8	S	S	*	*			trans	-175.2	105.4	146.9	-99	163.7	-170.2	-162.7	1.4	105.3
708	Q	28.2	Very low	31.5	Very low	178 Å²	178	160.4 Å²	160.4	83%	0.832	80%	0.801	S	S	*	*				51.6	101.2	70.8	-69	-176.6	-55.9	0	0	113.3
709	N	30.8	Very low	31.7	Very low	173 Å²	173	159.2 Å²	159.2	93%	0.925	80%	0.796	S	S	*	*				-139.1	163.7	122	-92.2	-12.6	0	0	0	107.1
710	S	28.9	Very low	32.1	Very low	106 Å²	106	156.8 Å²	156.8	74%	0.741	79%	0.794	S	S	*	*			trans	-147.2	154.6	-158.8	53.5	0	0	0	0	112.8
711	F	29	Very low	32.5	Very low	168 Å²	168	152.8 Å²	152.8	74%	0.737	79%	0.791	S	S	*	*			trans	65.6	151.1	177.6	-99.7	-119.6	0	0	0	113.4
712	D	32.6	Very low	32.5	Very low	141 Å²	141	153 Å²	153	75%	0.754	79%	0.793	S	S	*	*			cis	-112.9	151.6	18.1	-60.1	-61.9	0	0	0	114.7
713	D	29.8	Very low	32.6	Very low	133 Å²	133	150.8 Å²	150.8	71%	0.711	79%	0.785	S	S	*	*			trans	-74.9	138.7	166.1	-71.9	-55.7	0	0	0	110.5
714	L	33.7	Very low	32.4	Very low	164 Å²	164	149.3 Å²	149.3	86%	0.859	78%	0.775	S	S	*	*			trans	-122.9	118.3	168.6	-72.5	176.6	0	0	0	109.2	L716	L714-L716 PolarHBondContact O-N 3.02Å; L714-L716 VanDerWaalsContact O-N 3.11Å
715	D	31.4	Very low	32.8	Very low	152 Å²	152	146.3 Å²	146.3	81%	0.813	77%	0.769	S	S	*	*			trans	-58.2	112.2	178.5	-76.9	-50.9	0	0	0	111.5	N717	D715-N717 PolarHBondContact O-N 2.91Å
716	L	36.3	Very low	32.8	Very low	162 Å²	162	146 Å²	146	85%	0.848	77%	0.766	S	S	*	*			trans	-78.5	96.7	160.4	-72.6	173.3	0	0	0	108	L714 D718	L714-L716 PolarHBondContact O-N 3.02Å; L714-L716 VanDerWaalsContact O-N 3.11Å; L716-D718 PolarHBondContact O-N 3.41Å
717	N	33.6	Very low	33.1	Very low	128 Å²	128	147.7 Å²	147.7	68%	0.684	76%	0.763	S	S	*	*			trans	-70.6	106.1	165.2	-69.1	-76	0	0	0	108.3	D715 D719	D715-N717 PolarHBondContact O-N 2.91Å; N717-D719 PolarHBondContact O-N 2.94Å
718	D	35.4	Very low	33.2	Very low	144 Å²	144	138.7 Å²	138.7	77%	0.77	73%	0.733	S	S	*	*			trans	-72.4	76.8	167.6	-74.3	-42.6	0	0	0	109.4	L716 E720	L716-D718 PolarHBondContact O-N 3.41Å; D718-E720 PolarHBondContact O-N 3.04Å
719	D	39.3	Very low	33.3	Very low	143 Å²	143	132.2 Å²	132.2	77%	0.765	71%	0.713	S	S	*	*			trans	-69.3	82.2	166.7	-77.8	-47.4	0	0	0	109.3	N717 D721	N717-D719 PolarHBondContact O-N 2.94Å; D719-D721 PolarHBondContact O-N 2.87Å
720	E	36.9	Very low	33.4	Very low	181 Å²	181	127.6 Å²	127.6	85%	0.846	70%	0.695	S	S	*	*			trans	-66	81.2	169.9	-77.8	-89.4	113.9	0	0	110.2	D718 D722	D718-E720 PolarHBondContact O-N 3.04Å; E720-D722 PolarHBondContact O-N 3.08Å
721	D	39	Very low	33.6	Very low	150 Å²	150	125.5 Å²	125.5	80%	0.802	68%	0.68	S	S	*	*			trans	-64.3	96	171.1	-107.1	-30.6	0	0	0	109.9	D719 V723	D719-D721 PolarHBondContact O-N 2.87Å; D721-V723 VanDerWaalsContact C-N 3.27Å; D721-V723 PolarHBondContact O-N 3.47Å
722	D	32.1	Very low	33.7	Very low	161 Å²	161	121.2 Å²	121.2	86%	0.861	67%	0.665	S	S	*	*			trans	-67.5	72.7	-176.1	-141.3	-14.6	0	0	0	111.6	E720 P724	E720-D722 PolarHBondContact O-N 3.08Å; D722-P724 VanDerWaalsContact O-CD 3.28Å; D722-P724 WeakPolarHBondContact O-CD 3.29Å
723	V	35.1	Very low	33.6	Very low	93 Å²	93	117.4 Å²	117.4	56%	0.564	64%	0.644	S	S	*	*			trans	-64.8	120	-177.6	179	0	0	0	0	110.3	D721 F725	D721-V723 VanDerWaalsContact C-N 3.27Å; D721-V723 PolarHBondContact O-N 3.47Å; V723-F725 PolarHBondContact O-N 3.07Å; V723-F725 VanDerWaalsContact O-N 3.1Å
724	P	29.4	Very low	33.4	Very low	88 Å²	88	115 Å²	115	57%	0.571	64%	0.638	S	S	*	*			trans	-62.2	117.7	-178.9	-24.7	35.3	0	0	0	112.3	D722 S726	D722-P724 VanDerWaalsContact O-CD 3.28Å; D722-P724 WeakPolarHBondContact O-CD 3.29Å; P724-S726 PolarHBondContact O-N 3.24Å
725	F	35.7	Very low	33.3	Very low	165 Å²	165	109.7 Å²	109.7	72%	0.724	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-53.2	-10.6	-177.5	-102.1	-94.9	0	0	0	116	V723 Q727 L728	V723-F725 PolarHBondContact O-N 3.07Å; V723-F725 VanDerWaalsContact O-N 3.1Å; F725-Q727 VanDerWaalsContact C-N 3.32Å; F725-Q727 PolarHBondContact O-N 3.1Å; F725-L728 HydrophobicContact CD1-CD1 4.11Å; F725-L728 HydrophobicContact CE1-CD1 4.32Å
726	S	32.3	Very low	33.3	Very low	100 Å²	100	105.6 Å²	105.6	70%	0.699	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-82.9	13.1	-176.9	57.2	0	0	0	0	115.8	P724	P724-S726 PolarHBondContact O-N 3.24Å
727	Q	34.3	Very low	33	Very low	134 Å²	134	101.9 Å²	101.9	63%	0.626	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-127.1	9	179.4	-68.7	-168	-9.6	0	0	115.1	F725 G729	F725-Q727 VanDerWaalsContact C-N 3.32Å; F725-Q727 PolarHBondContact O-N 3.1Å; Q727-G729 VanDerWaalsContact C-N 3.34Å; Q727-G729 PolarHBondContact O-N 3.01Å
728	L	33.3	Very low	32.9	Very low	49 Å²	49	99.3 Å²	99.3	26%	0.257	56%	0.563	S	S	.	*			trans	-79	78.4	-178.2	-68.6	171.5	0	0	0	112.4	F179 L273 F725	F179-L728 HydrophobicContact CE1-CD2 4.36Å; L273-L728 HydrophobicContact CD2-CB 4.35Å; L273-L728 HydrophobicContact CD2-CD1 4.25Å; F725-L728 HydrophobicContact CD1-CD1 4.11Å; F725-L728 HydrophobicContact CE1-CD1 4.32Å
729	G	31	Very low	32.7	Very low	41 Å²	41	97.4 Å²	97.4	42%	0.423	55%	0.553	S	S	.	*			trans	-69.8	144.3	167.5	0	0	0	0	0	112.4	Q727	Q727-G729 VanDerWaalsContact C-N 3.34Å; Q727-G729 PolarHBondContact O-N 3.01Å
730	S	32.4	Very low	32.3	Very low	77 Å²	77	94.4 Å²	94.4	54%	0.538	54%	0.544	S	S	.	.			trans	-101.6	135.4	-165.4	59.3	0	0	0	0	115.2
731	S	34	Very low	32	Very low	61 Å²	61	92.9 Å²	92.9	43%	0.427	54%	0.541	S	S	.	.				-164.1	145.2	124.8	-145.1	0	0	0	0	110.7	S181	S181-S731 WeakPolarHBondContact OG-CB 3.33Å
732	L	30.1	Very low	31.6	Very low	79 Å²	79	89.8 Å²	89.8	41%	0.414	53%	0.53	S	S	.	.			trans	-69.9	148.7	179.1	-58.6	173.2	0	0	0	110.8	E270 H359	E270-L732 HydrophobicContact CG-CD2 3.69Å; E270-L732 WeakPolarHBondContact OE1-CA 3.33Å; E270-L732 WeakPolarHBondContact OE1-CB 3.49Å; E270-L732 WeakPolarHBondContact OE1-CD2 3.47Å; H359-L732 WeakPolarHBondContact O-CD1 3.33Å
733	L	29.8	Very low	31.4	Very low	61 Å²	61	87.5 Å²	87.5	32%	0.319	52%	0.522	S	S	.	.			trans	-129.7	100.4	171.7	-86.8	-179.6	0	0	0	108.2	E270 L735	E270-L733 PolarHBondContact OE1-N 3.32Å; L733-L735 VanDerWaalsContact C-N 3.35Å; L733-L735 HydrophobicContact CB-CD2 4.31Å; L733-L735 HydrophobicContact CB-CG 4.49Å; L733-L735 PolarHBondContact O-N 2.77Å
734	S	27.1	Very low	31	Very low	83 Å²	83	90.6 Å²	90.6	58%	0.58	54%	0.535	S	S	*	.			trans	-64.8	95.8	167.5	44.4	0	0	0	0	109.9	T736	S734-T736 PolarHBondContact O-N 2.72Å
735	L	31.5	Very low	31	Very low	52 Å²	52	93.8 Å²	93.8	27%	0.272	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	13.2	-179.8	-67.4	179.6	0	0	0	113.8	N263 L266 L733 S737 L738	N263-L735 VanDerWaalsContact OD1-CD1 3.27Å; N263-L735 WeakPolarHBondContact OD1-CD1 3.31Å; L266-L735 HydrophobicContact CB-CD1 4.35Å; L266-L735 HydrophobicContact CD1-CD1 4.09Å; L733-L735 VanDerWaalsContact C-N 3.35Å; L733-L735 HydrophobicContact CB-CD2 4.31Å; L733-L735 HydrophobicContact CB-CG 4.49Å; L733-L735 PolarHBondContact O-N 2.77Å; L735-S737 PolarHBondContact O-N 3.43Å; L735-L738 HydrophobicContact CB-CD1 4.48Å; L735-L738 HydrophobicContact CD2-CD1 4.16Å; L735-L738 PolarHBondContact O-N 3.11Å
736	T	30	Very low	30.6	Very low	65 Å²	65	92.7 Å²	92.7	40%	0.399	55%	0.549	S	S	.	.	H	α-helix	trans	-57.6	-14.9	171.1	54.3	0	0	0	0	113.6	S734 S740	S734-T736 PolarHBondContact O-N 2.72Å; T736-S740 PolarHBondContact O-OG 3.13Å
737	S	30.2	Very low	30.4	Very low	84 Å²	84	93.8 Å²	93.8	59%	0.587	55%	0.554	S	S	*	*	H	α-helix	trans	-81.8	-9.8	170.7	-66.6	0	0	0	0	115.4	L735	L735-S737 PolarHBondContact O-N 3.43Å
738	L	32.8	Very low	30.3	Very low	74 Å²	74	92.2 Å²	92.2	39%	0.387	55%	0.553	S	S	.	*	H	α-helix	trans	-80.1	-41	172.1	-83.8	170.6	0	0	0	111.8	L735 S740 L741	L735-L738 HydrophobicContact CB-CD1 4.48Å; L735-L738 HydrophobicContact CD2-CD1 4.16Å; L735-L738 PolarHBondContact O-N 3.11Å; L738-S740 PolarHBondContact O-N 3.26Å; L738-L741 PolarHBondContact O-N 3.34Å
739	D	31	Very low	30.1	Very low	105 Å²	105	96.9 Å²	96.9	56%	0.561	58%	0.578	S	S	*	*	H	α-helix	trans	-60.9	-32.6	174.2	-62.5	-33	0	0	0	111	L741 S742	D739-L741 PolarHBondContact O-N 3.09Å; D739-L741 VanDerWaalsContact O-N 3.11Å; D739-S742 PolarHBondContact O-N 3.41Å; D739-S742 VanDerWaalsContact O-N 3.08Å; D739-S742 PolarHBondContact O-OG 2.92Å
740	S	30.3	Very low	30	Very low	80 Å²	80	107.1 Å²	107.1	56%	0.559	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-4.3	173.1	-59.6	0	0	0	0	115.2	T736 L738	T736-S740 PolarHBondContact O-OG 3.13Å; L738-S740 PolarHBondContact O-N 3.26Å
741	L	31.3	Very low	29.7	Very low	149 Å²	149	108.8 Å²	108.8	78%	0.78	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.2	-6.8	173.3	-69.8	171.1	0	0	0	113.3	L738 D739	L738-L741 PolarHBondContact O-N 3.34Å; D739-L741 PolarHBondContact O-N 3.09Å; D739-L741 VanDerWaalsContact O-N 3.11Å
742	S	30	Very low	29.4	Very low	84 Å²	84	112.8 Å²	112.8	59%	0.587	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-11.1	176.2	68.1	0	0	0	0	113.6	D739 L744	D739-S742 PolarHBondContact O-N 3.41Å; D739-S742 VanDerWaalsContact O-N 3.08Å; D739-S742 PolarHBondContact O-OG 2.92Å; S742-L744 VanDerWaalsContact C-N 3.26Å; S742-L744 PolarHBondContact O-N 2.73Å
743	T	27.7	Very low	29.3	Very low	113 Å²	113	115 Å²	115	69%	0.693	64%	0.644	S	S	*	*			trans	-78.1	65.8	-179.6	48.7	0	0	0	0	113.3
744	L	27.7	Very low	29.3	Very low	159 Å²	159	119.1 Å²	119.1	83%	0.832	67%	0.665	S	S	*	*	S	Bend	trans	-129.6	114.6	158	-96.3	170.3	0	0	0	108.9	S742	S742-L744 VanDerWaalsContact C-N 3.26Å; S742-L744 PolarHBondContact O-N 2.73Å
745	D	28.4	Very low	29.6	Very low	155 Å²	155	119.6 Å²	119.6	83%	0.829	67%	0.668	S	S	*	*			trans	-57.9	137.9	-163.6	-59.7	-84.4	0	0	0	115
746	N	28.2	Very low	29.5	Very low	142 Å²	142	123.3 Å²	123.3	76%	0.759	69%	0.688	S	S	*	*			trans	-135.7	74.1	166.7	-158.2	8.6	0	0	0	110.5	V748	N746-V748 PolarHBondContact O-N 3.2Å; N746-V748 VanDerWaalsContact O-N 3.08Å
747	P	27.7	Very low	29.5	Very low	123 Å²	123	129.5 Å²	129.5	80%	0.799	70%	0.704	S	S	*	*			trans	-79.3	94.6	-171.5	31.9	-33.5	0	0	0	110.9
748	V	32.3	Very low	29.6	Very low	101 Å²	101	132.5 Å²	132.5	61%	0.612	71%	0.714	S	S	*	*			trans	-125.4	120.2	-178.4	-179.4	0	0	0	0	111.3	N746	N746-V748 PolarHBondContact O-N 3.2Å; N746-V748 VanDerWaalsContact O-N 3.08Å
749	N	28.9	Very low	29.7	Very low	146 Å²	146	135.3 Å²	135.3	78%	0.781	73%	0.734	S	S	*	*			trans	62.1	83.3	164.4	-60.1	-12.9	0	0	0	118.2
750	R	27.8	Very low	29.8	Very low	256 Å²	256	135.2 Å²	135.2	97%	0.966	74%	0.739	S	S	*	*			trans	-127.5	117.1	130.3	-143.8	172.8	-166.5	159.2	4.5	109
751	V	26.8	Very low	29.6	Very low	112 Å²	112	138 Å²	138	68%	0.679	75%	0.748	S	S	*	*			trans	-96.1	129.1	-179.1	179.3	0	0	0	0	107.7
752	D	28.8	Very low	29.7	Very low	145 Å²	145	139.4 Å²	139.4	78%	0.775	76%	0.755	S	S	*	*				-174.9	110.7	126.3	-92.9	-28.4	0	0	0	114.1
753	V	27.9	Very low	29.5	Very low	126 Å²	126	144.7 Å²	144.7	76%	0.764	77%	0.768	S	S	*	*			trans	63.2	152.5	131.1	-167.5	0	0	0	0	121.2
754	I	29.9	Very low	29.6	Very low	147 Å²	147	145.5 Å²	145.5	75%	0.754	78%	0.776	S	S	*	*			trans	89.4	72.6	173.6	-41.9	-170	0	0	0	118.5
755	S	31.8	Very low	29.6	Very low	93 Å²	93	149.7 Å²	149.7	65%	0.65	78%	0.781	S	S	*	*				62.2	120.4	115.2	-58.8	0	0	0	0	124.6
756	N	29.2	Very low	29.5	Very low	131 Å²	131	147.3 Å²	147.3	70%	0.701	78%	0.783	S	S	*	*			trans	69.1	148.9	134.5	-68.3	-31.7	0	0	0	119.7
757	R	31.9	Very low	29.5	Very low	195 Å²	195	144.2 Å²	144.2	74%	0.736	78%	0.784	S	S	*	*			cis	-164	148	-3.9	-120.6	167	-170.3	-173.9	-0.4	111.4
758	N	32	Very low	29.3	Very low	146 Å²	146	144.3 Å²	144.3	78%	0.781	79%	0.788	S	S	*	*			trans	64.1	156.9	156.1	-54.1	-16	0	0	0	117
759	T	33.9	Very low	29.1	Very low	134 Å²	134	143.9 Å²	143.9	82%	0.822	80%	0.795	S	S	*	*			cis	-132	169.9	5.5	19.1	0	0	0	0	112
760	P	33	Very low	29	Very low	103 Å²	103	142.7 Å²	142.7	67%	0.669	79%	0.793	S	S	*	*			trans	-115	-178.2	-162.7	43.1	-36.1	0	0	0	117.3
761	N	27.3	Very low	28.9	Very low	139 Å²	139	140.6 Å²	140.6	74%	0.743	79%	0.785	S	S	*	*			trans	79.2	113.1	157.2	-72.2	-47.3	0	0	0	120.7
762	L	32	Very low	28.9	Very low	177 Å²	177	144.4 Å²	144.4	93%	0.927	80%	0.796	S	S	*	*				-156.1	123.7	124.6	-110.1	157.3	0	0	0	110.2
763	K	26.1	Very low	28.8	Very low	196 Å²	196	141.4 Å²	141.4	85%	0.852	79%	0.786	S	S	*	*			trans	-82.1	135.6	179.9	-75.3	178.6	176	175.2	0	111
764	C	30.2	Very low	28.8	Very low	129 Å²	129	141 Å²	141	87%	0.872	80%	0.796	S	S	*	*			trans	-147.7	105.9	156.2	-125.9	0	0	0	0	113.2
765	R	28.2	Very low	28.7	Very low	247 Å²	247	137.3 Å²	137.3	93%	0.932	78%	0.783	S	S	*	*			trans	33.1	129.7	150.6	-140.6	169.6	-171	165.9	0.9	120.5
766	A	26.1	Very low	28.5	Very low	106 Å²	106	140.9 Å²	140.9	88%	0.876	79%	0.789	S	S	*	*			trans	-63.4	149	177.3	0	0	0	0	0	114.6
767	G	27.3	Very low	28.5	Very low	76 Å²	76	142.1 Å²	142.1	78%	0.784	80%	0.795	S	S	*	*			trans	-150.7	131.7	166.6	0	0	0	0	0	109.6
768	S	23.9	Very low	28.4	Very low	125 Å²	125	136.1 Å²	136.1	87%	0.874	79%	0.794	S	S	*	*			trans	-77.5	134.2	-177.1	-174.8	0	0	0	0	111.6
769	A	29	Very low	28.3	Very low	93 Å²	93	136 Å²	136	77%	0.769	79%	0.787	S	S	*	*			trans	-114.3	102.3	172.3	0	0	0	0	0	109.6
770	V	26.5	Very low	28.1	Very low	120 Å²	120	135.3 Å²	135.3	73%	0.727	79%	0.787	S	S	*	*			trans	-42	136.8	178.7	171	0	0	0	0	114.1
771	W	25.8	Very low	27.9	Very low	213 Å²	213	136.6 Å²	136.6	81%	0.807	79%	0.793	S	S	*	*			trans	-75.3	114.7	157.8	-74	36.9	0	0	0	108.5
772	E	25.2	Very low	28.1	Very low	191 Å²	191	135.2 Å²	135.2	89%	0.893	79%	0.794	S	S	*	*			trans	-92.6	109.3	178.8	-163.1	153.1	-130.8	0	0	110.2
773	S	27.6	Very low	27.9	Very low	82 Å²	82	134.3 Å²	134.3	57%	0.573	79%	0.79	S	S	*	*			trans	-86.9	119.3	-167.5	-56.8	0	0	0	0	112	S775	S773-S775 WeakPolarHBondContact CB-OG 3.29Å; S773-S775 PolarHBondContact O-N 3.2Å
774	A	27.7	Very low	28.1	Very low	118 Å²	118	131.9 Å²	131.9	98%	0.975	79%	0.787	S	S	*	*			trans	-78.7	44.6	175.1	0	0	0	0	0	113
775	S	26.9	Very low	28.2	Very low	69 Å²	69	130.8 Å²	130.8	48%	0.483	78%	0.776	S	S	.	*			trans	-124.9	42.6	-167.9	64.5	0	0	0	0	113.3	S773	S773-S775 WeakPolarHBondContact CB-OG 3.29Å; S773-S775 PolarHBondContact O-N 3.2Å
776	H	28.2	Very low	28.2	Very low	169 Å²	169	129 Å²	129	78%	0.782	77%	0.769	S	S	*	*			trans	-139	83.6	177.7	-85.6	-68.8	0	0	0	113.9
777	L	30.2	Very low	28.3	Very low	156 Å²	156	132 Å²	132	82%	0.817	77%	0.765	S	S	*	*			trans	-132.1	62.8	147.3	-78.1	-178.7	0	0	0	109
778	G	29	Very low	28.2	Very low	69 Å²	69	132.8 Å²	132.8	71%	0.711	76%	0.758	S	S	*	*			trans	-73.9	130.1	174.1	0	0	0	0	0	111.2	S780	G778-S780 PolarHBondContact O-N 3.25Å
779	F	30	Very low	28.6	Very low	145 Å²	145	136.9 Å²	136.9	64%	0.636	76%	0.761	S	S	*	*			trans	-66.3	118.9	160.3	-89.2	-101.2	0	0	0	108.4
780	S	30.5	Very low	28.6	Very low	119 Å²	119	143.1 Å²	143.1	83%	0.832	76%	0.764	S	S	*	*			trans	-89.8	111.3	169.6	-174.3	0	0	0	0	109.1	G778	G778-S780 PolarHBondContact O-N 3.25Å
781	T	28.2	Very low	28.8	Very low	129 Å²	129	142.2 Å²	142.2	79%	0.791	76%	0.764	S	S	*	*			trans	-99.9	118	171.2	49.6	0	0	0	0	109.4
782	S	32.4	Very low	29.3	Very low	110 Å²	110	138 Å²	138	77%	0.769	76%	0.763	S	S	*	*			trans	-154	115	160	-158.1	0	0	0	0	108.6
783	D	26.4	Very low	29.8	Very low	158 Å²	158	134.3 Å²	134.3	85%	0.845	76%	0.759	S	S	*	*			trans	-79.9	135.4	159.8	-71.4	-70.8	0	0	0	108.1
784	D	31.1	Very low	30.2	Very low	146 Å²	146	134.2 Å²	134.2	78%	0.781	77%	0.771	S	S	*	*			trans	-159.9	112.7	144.8	-120.9	-27.2	0	0	0	114
785	V	32.1	Very low	30.4	Very low	106 Å²	106	134 Å²	134	64%	0.642	76%	0.763	S	S	*	*			trans	40.3	100.8	130.6	-177.8	0	0	0	0	120.2
786	R	27.8	Very low	30.7	Very low	209 Å²	209	140 Å²	140	79%	0.789	78%	0.78	S	S	*	*				70.9	129.5	129.7	-72.4	-178.9	175.3	149.7	-2.3	123.7
787	H	28.4	Very low	30.9	Very low	168 Å²	168	139.4 Å²	139.4	78%	0.778	78%	0.782	S	S	*	*			trans	81.7	129	135.1	-72.5	-49.2	0	0	0	123.2
788	S	25.4	Very low	31.1	Very low	93 Å²	93	135.8 Å²	135.8	65%	0.65	78%	0.782	S	S	*	*			trans	70.7	113.3	143.7	-170.6	0	0	0	0	119.5
789	F	31.4	Very low	31.2	Very low	212 Å²	212	135.5 Å²	135.5	93%	0.93	78%	0.779	S	S	*	*				-152.6	164	104.5	-103.2	-72.5	0	0	0	110.9
790	R	29.3	Very low	31.2	Very low	223 Å²	223	138.2 Å²	138.2	84%	0.842	79%	0.791	S	S	*	*			trans	-119.3	135	-165.4	-101.7	-173.9	170	-155.5	0.9	112.9
791	S	30.7	Very low	31.3	Very low	102 Å²	102	138.8 Å²	138.8	71%	0.713	79%	0.785	S	S	*	*			trans	57.9	-177.2	131.2	-53	0	0	0	0	118.3
792	P	36.4	Very low	31.6	Very low	123 Å²	123	141.2 Å²	141.2	80%	0.799	79%	0.787	S	S	*	*			cis	-110.8	-145.4	-14.2	44.1	-30.2	0	0	0	110.2
793	S	36.1	Very low	31.6	Very low	115 Å²	115	138.9 Å²	138.9	80%	0.804	78%	0.781	S	S	*	*			cis	-161.4	150.1	-3.4	42.4	0	0	0	0	109.8
794	G	36.3	Very low	31.8	Very low	80 Å²	80	137.5 Å²	137.5	83%	0.825	78%	0.782	S	S	*	*			trans	153.3	123.7	162.9	0	0	0	0	0	114.8
795	S	32.9	Very low	31.6	Very low	114 Å²	114	134.9 Å²	134.9	80%	0.797	78%	0.775	S	S	*	*			trans	-163.5	142.3	-171.3	56.5	0	0	0	0	113.7
796	F	33.3	Very low	31.5	Very low	195 Å²	195	139.9 Å²	139.9	86%	0.855	78%	0.782	S	S	*	*			trans	-157.1	-172.1	142.8	-138.8	-104.8	0	0	0	112.5
797	L	32.3	Very low	31.5	Very low	155 Å²	155	138.1 Å²	138.1	81%	0.812	78%	0.78	S	S	*	*			trans	-145.4	158.3	-154.5	-82.4	151.7	0	0	0	114.1
798	G	32.6	Very low	31.7	Very low	80 Å²	80	139 Å²	139	83%	0.825	79%	0.785	S	S	*	*			trans	96.4	149.2	165.6	0	0	0	0	0	116.1
799	G	32.2	Very low	31.8	Very low	63 Å²	63	137.6 Å²	137.6	65%	0.649	78%	0.784	S	S	*	*			cis	155.3	131.6	-12.9	0	0	0	0	0	114.2
800	F	30.2	Very low	31.8	Very low	202 Å²	202	136.7 Å²	136.7	89%	0.886	78%	0.78	S	S	*	*			trans	63.6	161.6	169.3	-60.6	-87.4	0	0	0	116.2
801	D	31.6	Very low	31.9	Very low	131 Å²	131	135 Å²	135	70%	0.701	78%	0.779	S	S	*	*			cis	-151	176	-4.5	-137	-32.7	0	0	0	112.9
802	E	33.9	Very low	31.9	Very low	181 Å²	181	137.7 Å²	137.7	85%	0.846	78%	0.78	S	S	*	*			trans	36.9	152.6	158.2	-60.5	-146	119.4	0	0	122.7
803	G	32.5	Very low	31.8	Very low	61 Å²	61	140.9 Å²	140.9	63%	0.629	78%	0.781	S	S	*	*			cis	163.7	162.1	-4.3	0	0	0	0	0	113.1
804	C	30.7	Very low	31.6	Very low	129 Å²	129	143.6 Å²	143.6	87%	0.872	78%	0.779	S	S	*	*			trans	61.6	165.3	163.9	-81.8	0	0	0	0	120.5
805	S	28.6	Very low	31.5	Very low	90 Å²	90	145.3 Å²	145.3	63%	0.629	78%	0.775	S	S	*	*			cis	-162.5	153.7	-41.2	-141.1	0	0	0	0	113.2
806	R	28.3	Very low	31.2	Very low	212 Å²	212	147.6 Å²	147.6	80%	0.8	77%	0.771	S	S	*	*			trans	51.7	112.1	147.3	-70.4	168.3	180	-167.7	2	123.2
807	K	28	Very low	31.1	Very low	171 Å²	171	145.8 Å²	145.8	74%	0.743	77%	0.769	S	S	*	*				72.7	147.9	119.5	-66.4	-178.9	176.9	-179.3	0	122.6
808	H	33	Very low	30.7	Very low	188 Å²	188	149.4 Å²	149.4	87%	0.87	77%	0.772	S	S	*	*			trans	73.5	144.3	166.3	-53.5	-49.7	0	0	0	117.4
809	G	28.3	Very low	30.5	Very low	62 Å²	62	149.8 Å²	149.8	64%	0.639	77%	0.768	S	S	*	*			cis	155.4	158.3	-12.9	0	0	0	0	0	115.1
810	K	31.5	Very low	30.1	Very low	194 Å²	194	152.6 Å²	152.6	84%	0.843	77%	0.771	S	S	*	*			trans	88	120	-179.5	-54.6	165.2	-175.7	170	0	113.4
811	K	30.8	Very low	29.9	Very low	187 Å²	187	148.1 Å²	148.1	81%	0.813	77%	0.766	S	S	*	*				65	133.8	100	-60.7	173.9	-177.1	-178.6	0	112
812	Q	30.7	Very low	29.6	Very low	159 Å²	159	150.5 Å²	150.5	74%	0.743	77%	0.773	S	S	*	*			cis	-164.2	143.6	23.8	-140.6	-174.2	85.6	0	0	108.1
813	K	34	Very low	29.2	Very low	189 Å²	189	149.6 Å²	149.6	82%	0.822	77%	0.77	S	S	*	*				-167.7	169.6	75.3	-99.1	171.2	-179.8	173.2	0	112.4
814	K	32.5	Very low	29.1	Very low	173 Å²	173	157 Å²	157	75%	0.752	79%	0.785	S	S	*	*			trans	-96.9	170.4	-179.9	-80.6	163.3	-179.1	167.4	0	110
815	P	33.8	Very low	28.9	Very low	115 Å²	115	159.4 Å²	159.4	75%	0.747	78%	0.784	S	S	*	*			cis	-120.7	156.6	26	20.3	5.2	0	0	0	115
816	K	27.4	Very low	28.7	Very low	163 Å²	163	165.8 Å²	165.8	71%	0.709	79%	0.794	S	S	*	*				56.8	135.5	65.9	-53.9	174.8	161.6	-169.9	0	111.7
817	L	30.8	Very low	28.8	Very low	156 Å²	156	161.3 Å²	161.3	82%	0.817	80%	0.795	S	S	*	*			cis	-125	157.6	20.7	-82.2	70.8	0	0	0	110.3
818	R	23.7	Very low	28.6	Very low	231 Å²	231	158.1 Å²	158.1	87%	0.872	80%	0.795	S	S	*	*			cis	79.4	94.9	15.8	-146.8	-174.4	-152.9	-147.5	7.2	117.5
819	A	28.4	Very low	28.5	Very low	89 Å²	89	156.3 Å²	156.3	74%	0.736	79%	0.79	S	S	*	*			trans	69	-177.2	154.4	0	0	0	0	0	118.8
820	V	24.3	Very low	28.3	Very low	121 Å²	121	160.1 Å²	160.1	73%	0.733	79%	0.793	S	S	*	*			trans	71.4	105.7	-169.5	-165.5	0	0	0	0	111.3
821	S	25.2	Very low	28.3	Very low	109 Å²	109	157.2 Å²	157.2	76%	0.762	79%	0.791	S	S	*	*				77.3	158.2	50.9	-162.9	0	0	0	0	112.7
822	Q	26	Very low	28	Very low	181 Å²	181	155.8 Å²	155.8	85%	0.846	79%	0.785	S	S	*	*			trans	77.3	138.1	-155.8	-51.5	163.7	8.4	0	0	111.3
823	M	25.1	Very low	28	Very low	162 Å²	162	152.8 Å²	152.8	80%	0.798	79%	0.787	S	S	*	*			cis	-154.4	100.6	0.5	176.2	179.4	66.6	0	0	110.8
824	F	30.5	Very low	27.7	Very low	216 Å²	216	150.6 Å²	150.6	95%	0.947	78%	0.778	S	S	*	*			trans	-146.7	84.9	157.8	-92.1	-67.8	0	0	0	110
825	Q	26.7	Very low	27.7	Very low	179 Å²	179	149.4 Å²	149.4	84%	0.836	78%	0.775	S	S	*	*			trans	-80.9	128.6	166.5	-73.8	178.7	-31	0	0	109.5
826	R	23.9	Very low	27.5	Very low	224 Å²	224	147.6 Å²	147.6	85%	0.845	77%	0.765	S	S	*	*			trans	42.4	101.2	143.6	-64.5	176.4	167.8	175.1	-5.2	118.3
827	S	29.9	Very low	27.8	Very low	118 Å²	118	151.3 Å²	151.3	83%	0.825	78%	0.775	S	S	*	*			trans	-118.3	55.2	137.4	-70	0	0	0	0	110.2	I829	S827-I829 VanDerWaalsContact C-N 3.28Å; S827-I829 PolarHBondContact O-N 3.11Å
828	S	24.5	Very low	27.9	Very low	105 Å²	105	152.6 Å²	152.6	73%	0.734	77%	0.773	S	S	*	*			trans	-75.4	77	174.7	-59.1	0	0	0	0	110.7	M830	S828-M830 PolarHBondContact O-N 2.81Å
829	I	30.2	Very low	28.4	Very low	150 Å²	150	149.4 Å²	149.4	77%	0.769	77%	0.772	S	S	*	*			trans	-78.9	76.2	168.4	-59	-177.4	0	0	0	108.4	S827 V831	S827-I829 VanDerWaalsContact C-N 3.28Å; S827-I829 PolarHBondContact O-N 3.11Å; I829-V831 HydrophobicContact CG2-CG2 3.99Å; I829-V831 PolarHBondContact O-N 2.81Å
830	M	23.9	Very low	28.6	Very low	141 Å²	141	148.4 Å²	148.4	70%	0.695	77%	0.77	S	S	*	*			trans	-86.8	85.2	171.2	-179	-176.3	56	0	0	108.4	S828 K832	S828-M830 PolarHBondContact O-N 2.81Å; M830-K832 HydrophobicContact CE-CD 4.18Å; M830-K832 HydrophobicContact CG-CB 4.28Å; M830-K832 PolarHBondContact O-N 3.37Å; M830-K832 VanDerWaalsContact O-N 3.08Å; M830-K832 HydrophobicContact SD-CD 4.2Å
831	V	31.2	Very low	29	Very low	134 Å²	134	147.6 Å²	147.6	81%	0.812	77%	0.77	S	S	*	*			trans	-68.8	105.2	170	178.2	0	0	0	0	108.1	I829	I829-V831 HydrophobicContact CG2-CG2 3.99Å; I829-V831 PolarHBondContact O-N 2.81Å
832	K	24.5	Very low	29.5	Very low	156 Å²	156	149.5 Å²	149.5	68%	0.678	77%	0.771	S	S	*	*			trans	-114.4	90.1	-169.6	-170.9	173.9	-177.5	171.8	0	112.3	M830 K834	M830-K832 HydrophobicContact CE-CD 4.18Å; M830-K832 HydrophobicContact CG-CB 4.28Å; M830-K832 PolarHBondContact O-N 3.37Å; M830-K832 VanDerWaalsContact O-N 3.08Å; M830-K832 HydrophobicContact SD-CD 4.2Å; K832-K834 HydrophobicContact CG-CB 4.41Å
833	A	32	Very low	29.8	Very low	97 Å²	97	149.6 Å²	149.6	80%	0.802	77%	0.769	S	S	*	*			trans	-128.1	116.3	158.2	0	0	0	0	0	106.4
834	K	28.2	Very low	30.4	Very low	143 Å²	143	149.4 Å²	149.4	62%	0.622	77%	0.77	S	S	*	*			cis	73.2	69.5	12.4	-157.8	-119.1	168.1	-144.8	0	116.2	K832	K832-K834 HydrophobicContact CG-CB 4.41Å
835	E	31.1	Very low	30.5	Very low	148 Å²	148	145.7 Å²	145.7	69%	0.692	76%	0.76	S	S	*	*			trans	-162.9	100.5	136.4	-136.3	51.1	-93.5	0	0	107.9
836	S	30.4	Very low	30.9	Very low	76 Å²	76	142.4 Å²	142.4	53%	0.531	75%	0.752	S	S	.	*				83.9	85	77.7	-63.3	0	0	0	0	116.6
837	R	34.5	Very low	31.3	Very low	242 Å²	242	139.8 Å²	139.8	91%	0.913	75%	0.749	S	S	*	*			trans	-178.3	128.8	130.7	-100.2	162.5	-77.1	-171	-0.1	108.9
838	K	31.7	Very low	31.5	Very low	182 Å²	182	141 Å²	141	79%	0.791	75%	0.746	S	S	*	*			cis	98.4	124.7	19.6	-155.4	-156.5	-173.5	-174.1	0	112.8
839	I	33.9	Very low	31.9	Very low	165 Å²	165	142.7 Å²	142.7	85%	0.846	75%	0.747	S	S	*	*			trans	75.7	137.7	177.5	-49.2	157.4	0	0	0	112.6
840	G	33.5	Very low	32	Very low	67 Å²	67	139.3 Å²	139.3	69%	0.691	74%	0.737	S	S	*	*			cis	-167.5	-170.3	1.2	0	0	0	0	0	114.2
841	S	31.2	Very low	32.5	Very low	104 Å²	104	141.5 Å²	141.5	73%	0.727	75%	0.745	S	S	*	*			trans	-72.2	173.9	178.9	54	0	0	0	0	112.2
842	D	36.5	Very low	32.6	Very low	149 Å²	149	140.2 Å²	140.2	80%	0.797	74%	0.742	S	S	*	*			cis	-154	-178.6	37.6	-107.9	-61.2	0	0	0	115.7
843	K	32.2	Very low	33.1	Very low	184 Å²	184	137.5 Å²	137.5	80%	0.8	74%	0.743	S	S	*	*			trans	-86.4	147.4	178.5	-52.8	168.5	-176.7	172.7	0	112.8
844	I	38	Very low	33.2	Very low	158 Å²	158	140.7 Å²	140.7	81%	0.81	75%	0.745	S	S	*	*			trans	-171.7	115	145	-95.5	143.5	0	0	0	104.9
845	N	32.1	Very low	33.5	Very low	138 Å²	138	138.8 Å²	138.8	74%	0.738	75%	0.747	S	S	*	*				81.8	139.6	67.3	-87.1	12.8	0	0	0	115
846	T	36.2	Very low	33.6	Very low	110 Å²	110	137.1 Å²	137.1	68%	0.675	75%	0.752	S	S	*	*			trans	65.9	100.3	155.8	37.3	0	0	0	0	120.7
847	E	31.7	Very low	33.9	Very low	168 Å²	168	138.1 Å²	138.1	79%	0.785	76%	0.759	S	S	*	*				84	152.9	107.5	-89.5	177.8	-176.8	0	0	124.5
848	L	35.1	Very low	33.7	Very low	143 Å²	143	137.5 Å²	137.5	75%	0.749	76%	0.757	S	S	*	*			trans	73.1	87.6	150.1	-70.4	163.2	0	0	0	121.9
849	N	31.5	Very low	33.8	Very low	141 Å²	141	139.4 Å²	139.4	75%	0.754	76%	0.759	S	S	*	*				75	148.7	106.6	-152.6	18.3	0	0	0	122.5
850	S	33.4	Very low	33.7	Very low	80 Å²	80	138.1 Å²	138.1	56%	0.559	75%	0.754	S	S	*	*			trans	70.3	109.4	149.1	46.9	0	0	0	0	123.1
851	Q	33.6	Very low	33.5	Very low	187 Å²	187	139.8 Å²	139.8	87%	0.874	76%	0.755	S	S	*	*				91.8	148.3	125.6	-67.6	178	19.1	0	0	123.1
852	S	32.8	Very low	33.6	Very low	107 Å²	107	142.1 Å²	142.1	75%	0.748	76%	0.758	S	S	*	*			trans	82.9	106.5	153.7	65.8	0	0	0	0	122.1
853	S	35.2	Very low	33.4	Very low	99 Å²	99	144.9 Å²	144.9	69%	0.692	76%	0.764	S	S	*	*			trans	52.8	113.1	132.4	58.1	0	0	0	0	123
854	L	33.5	Very low	33.3	Very low	163 Å²	163	148.2 Å²	148.2	85%	0.853	77%	0.772	S	S	*	*				54.7	146.1	100.6	-79.6	167.4	0	0	0	120.2
855	P	36.3	Very low	32.9	Very low	103 Å²	103	143.9 Å²	143.9	67%	0.669	77%	0.765	S	S	*	*				-136.4	-167.9	-86.2	42.7	-26.5	0	0	0	114.7
856	S	32.8	Very low	33.1	Very low	114 Å²	114	145 Å²	145	80%	0.797	77%	0.77	S	S	*	*			trans	108.5	150.5	142.4	82.5	0	0	0	0	120.8
857	S	36	Very low	33.1	Very low	97 Å²	97	148.6 Å²	148.6	68%	0.678	78%	0.777	S	S	*	*			trans	83.1	93	151.8	-150.6	0	0	0	0	121.5
858	R	30.8	Very low	33.2	Very low	228 Å²	228	150 Å²	150	86%	0.86	78%	0.781	S	S	*	*			trans	70.4	155.3	132.4	-69	179.5	167.3	178	-3.8	120.9
859	R	33.4	Very low	33.1	Very low	223 Å²	223	154.8 Å²	154.8	84%	0.842	79%	0.789	S	S	*	*			trans	72.7	149.2	170.1	-49	-159.2	-162.8	115.7	-0.1	115.8
860	D	31.4	Very low	33.3	Very low	138 Å²	138	156.8 Å²	156.8	74%	0.738	79%	0.791	S	S	*	*			cis	-160.9	164.1	-30.1	-106.3	-48.7	0	0	0	107.9
861	S	29.8	Very low	33.3	Very low	102 Å²	102	164 Å²	164	71%	0.713	82%	0.824	S	S	*	*			trans	29.2	112.5	154.3	172.1	0	0	0	0	119.1
862	L	33.2	Very low	33.3	Very low	152 Å²	152	162.9 Å²	162.9	80%	0.796	82%	0.821	S	S	*	*				-177.5	110.1	123.5	-101.6	167.6	0	0	0	111.5
863	F	33.1	Very low	33.3	Very low	208 Å²	208	165.8 Å²	165.8	91%	0.912	83%	0.825	S	S	*	*				-179.4	96	127.3	-107	-69.1	0	0	0	110.1
864	R	29.6	Very low	33.2	Very low	254 Å²	254	169.6 Å²	169.6	96%	0.958	83%	0.832	S	S	*	*			trans	-127.7	121.3	174.3	-163.7	-174	-161	-149	7.7	109.1
865	G	30.3	Very low	33.2	Very low	66 Å²	66	169.9 Å²	169.9	68%	0.68	83%	0.831	S	S	*	*			trans	107.6	100.7	163.2	0	0	0	0	0	116.9
866	L	35.7	Very low	33	Very low	161 Å²	161	174.1 Å²	174.1	84%	0.843	84%	0.841	S	S	*	*			trans	-156.7	132	145.8	-92.8	138.1	0	0	0	107
867	F	36.1	Very low	33	Very low	187 Å²	187	178.1 Å²	178.1	82%	0.82	84%	0.844	S	S	*	*			cis	-156.4	152.8	-25.6	-141.8	-87.7	0	0	0	108
868	F	32.9	Very low	32.8	Very low	198 Å²	198	183.9 Å²	183.9	87%	0.868	86%	0.856	S	S	*	*			trans	-67.6	136.6	176	-96.8	-104	0	0	0	112.3
869	R	33.8	Very low	33	Very low	243 Å²	243	180.5 Å²	180.5	92%	0.917	86%	0.856	S	S	*	*			trans	-160.4	141.1	130.9	-121.9	172.5	178.4	166.7	-1	116
870	K	34.5	Very low	33	Very low	182 Å²	182	177 Å²	177	79%	0.791	86%	0.857	S	S	*	*			trans	-38.5	159.9	167.5	-57.4	179.7	175.5	-174	0	114.9
871	N	35.2	Very low	33.1	Very low	233 Å²	233	180.5 Å²	180.5	100%	1.246	87%	0.868	S	S	*	*			cis	-106.4	0	12.1	-68.8	-30.1	0	0	0	113.5

Retrieved 871 of 871 residues in 886.4 ms (Link to these results)

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