A0A3Q0KMK1_SCHMA Loading...

Putative anion exchange protein

AlphaFold DB , UniProt , Accession A0A3Q0KMK1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,060 aa.

						>A0A3Q0KMK1_SCHMA|A0A3Q0KMK1
MTTISSSIIPSTTLSNTYPSPPPPPPTTTNTTITTTSNNNNTCIATTLPNTFHSSIQSNLLDNHYIFDIHNTTNDSIENQLYTVDHLIKSTSMKSKSKRLEKHVTLSDEILDINFPPFLQHHYIKSNDYYNKFNIDNLNNNNEKNITLTEHNYPLSMNPTIPHMSTDKISTTSLGSMVKYCTDNYDESSTTLILSRLEKLTLKDFASEVRANLDIDMFIKEATLLLDLDGSTLEDIISSMLEAIFDNRPIVDTATSTTTNTTANMTPSSPSSPDDTDSNQWSRTSATTTSGFGPKVNFSITGNSDKTNLSKLDIENMKLEAKNSLMMQINYQGYTYQRLAKTIKGVSLTDDDCLSTDQSWICAMCSLRSIHKRYLALARLNNPVNFGRSSEGTYLIVLIITPTKEKGTKSEIEVGRTFGTILSDPIFRQELLFATDEKEVKLLLWDRAQQLAAQQSTDRRRSSQYLDIRNQTFNLSSQSMIGKGIYLDLKRKIPYYWSDITEGIRGKNTMRKTISTIIFLYFACLLPSIAFGLLNSKNTDKKMDVTRVIMGQTIGGLCYGVFGGQPLLVLLSTAPLALYIKIIYTISETYYINFYAMYACIGLFNSLFLIIYSVCGFSRWMKWSTRSTEEIFAMFVSMAFLYDAGNDLYSTFQENYHCKLSTNYSLISNETLNIQGFDINFIHSNYSFSRISIENCPEILSSKSFPSLLSSSSSSTSSTLSSLPSQHINRNITIIQSGCQREVALVYLVLLLGTVWIALNLLNFTKTPFLTATKREILTDFALPIAVVSMSLVGSLIFGDIKLKPFEVEPSDFMLNKAPLNLLSWPAVLGSIGIAIPLSLLFYMEQNIASAILNSPSNKLRKGPSNHWDLFVIALINIILSIFCLPWVHAALPHTPLHVKALADMEEHVDGGHHIRQTIIRVRETRLTLFISHVLIGLSLAMIPYPLIYIPPPVLNGLFIYMAITALQGNQMFERILLFITEQSAYPPSHYIRRVPQRKLHLFTFFQLIQLGFLCAFGFAPSPYVKLIFPVILVVQIVLRHTLIPKAIDSKYLEALDRHF
					

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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	22.1	Very low	24.2	Very low	243 Å²	243	139.1 Å²	139.1	100%	1.197	82%	0.82	S	S	*	*				0	108.5	0	-91.9	-178	163.6	0	0	108.6
2	T	24.9	Very low	24.2	Very low	138 Å²	138	138.4 Å²	138.4	85%	0.847	82%	0.819	S	S	*	*			trans	171.1	109.4	138.8	32.5	0	0	0	0	105.3	I4	T2-I4 PolarHBondContact O-N 3.39Å
3	T	22.9	Very low	24.3	Very low	144 Å²	144	137.6 Å²	137.6	88%	0.883	82%	0.816	S	S	*	*			trans	-59.5	110.6	-178.1	35.1	0	0	0	0	111.5
4	I	25.7	Very low	24.4	Very low	156 Å²	156	138.7 Å²	138.7	80%	0.8	82%	0.815	S	S	*	*			trans	-99.8	99.3	158.3	-62.3	177.2	0	0	0	106.1	T2 S6	T2-I4 PolarHBondContact O-N 3.39Å; I4-S6 PolarHBondContact O-N 3.41Å
5	S	22.5	Very low	24.4	Very low	117 Å²	117	136.3 Å²	136.3	82%	0.818	81%	0.809	S	S	*	*			trans	-69.5	105.6	167.6	49.7	0	0	0	0	109.1
6	S	25.7	Very low	24.6	Very low	93 Å²	93	135.6 Å²	135.6	65%	0.65	80%	0.8	S	S	*	*			trans	-126.9	100.2	164.9	59.9	0	0	0	0	109.4	I4	I4-S6 PolarHBondContact O-N 3.41Å
7	S	24.3	Very low	24.7	Very low	107 Å²	107	135.4 Å²	135.4	75%	0.748	80%	0.801	S	S	*	*			trans	26.4	98.4	150.1	56.6	0	0	0	0	116.9	I9	S7-I9 PolarHBondContact O-N 3.26Å
8	I	23.2	Very low	25	Very low	166 Å²	166	139.4 Å²	139.4	85%	0.851	80%	0.801	S	S	*	*			trans	-63.8	109.4	164.4	-62.7	163.9	0	0	0	108
9	I	24.7	Very low	25.2	Very low	149 Å²	149	138.4 Å²	138.4	76%	0.764	80%	0.8	S	S	*	*			trans	-88.8	119.7	160.4	-60.9	175.5	0	0	0	106	S7 S11	S7-I9 PolarHBondContact O-N 3.26Å; I9-S11 PolarHBondContact O-N 2.99Å; I9-S11 VanDerWaalsContact O-N 3.09Å
10	P	25.9	Very low	25.3	Very low	110 Å²	110	136.9 Å²	136.9	71%	0.714	80%	0.798	S	S	*	*			trans	-74.3	106.5	-174	29	-30.9	0	0	0	109.5	T12	P10-T12 PolarHBondContact O-N 3.11Å; P10-T12 VanDerWaalsContact O-N 3.13Å
11	S	24.2	Very low	25.5	Very low	107 Å²	107	135.8 Å²	135.8	75%	0.748	80%	0.795	S	S	*	*			trans	-68	105.7	166.4	54.7	0	0	0	0	108.7	I9 T13	I9-S11 PolarHBondContact O-N 2.99Å; I9-S11 VanDerWaalsContact O-N 3.09Å; S11-T13 PolarHBondContact O-N 3.18Å
12	T	24.7	Very low	25.9	Very low	131 Å²	131	129.8 Å²	129.8	80%	0.804	77%	0.774	S	S	*	*			trans	-50.7	107.4	167.8	34	0	0	0	0	110.3	P10 L14	P10-T12 PolarHBondContact O-N 3.11Å; P10-T12 VanDerWaalsContact O-N 3.13Å; T12-L14 PolarHBondContact O-N 3.34Å; T12-L14 VanDerWaalsContact O-N 3.11Å
13	T	24.9	Very low	26.2	Very low	128 Å²	128	128.8 Å²	128.8	79%	0.785	77%	0.77	S	S	*	*			trans	-70	97.8	170.6	46.9	0	0	0	0	109.1	S11 S15	S11-T13 PolarHBondContact O-N 3.18Å; T13-S15 PolarHBondContact O-N 3.3Å; T13-S15 VanDerWaalsContact O-N 3.08Å
14	L	26	Very low	26.5	Very low	153 Å²	153	127.4 Å²	127.4	80%	0.801	76%	0.764	S	S	*	*			trans	-69.9	97.4	161.8	-89.9	153.3	0	0	0	108	T12 N16	T12-L14 PolarHBondContact O-N 3.34Å; T12-L14 VanDerWaalsContact O-N 3.11Å; L14-N16 VanDerWaalsContact C-N 3.31Å; L14-N16 PolarHBondContact O-N 3.36Å
15	S	23.9	Very low	26.7	Very low	103 Å²	103	125.6 Å²	125.6	72%	0.72	76%	0.762	S	S	*	*			trans	-67.6	85.3	171.6	56.6	0	0	0	0	110	T13 T17	T13-S15 PolarHBondContact O-N 3.3Å; T13-S15 VanDerWaalsContact O-N 3.08Å; S15-T17 PolarHBondContact O-N 3.43Å
16	N	28	Very low	27.1	Very low	124 Å²	124	125.9 Å²	125.9	66%	0.663	76%	0.761	S	S	*	*			trans	-80.9	90.9	162.9	-82.2	-17.9	0	0	0	108.2	L14 Y18	L14-N16 VanDerWaalsContact C-N 3.31Å; L14-N16 PolarHBondContact O-N 3.36Å; N16-Y18 WeakPolarHBondContact O-CD2 3.47Å; N16-Y18 PolarHBondContact O-N 2.89Å
17	T	26.8	Very low	27.2	Very low	133 Å²	133	128 Å²	128	82%	0.816	77%	0.77	S	S	*	*			trans	-58.8	103.4	162.9	34.4	0	0	0	0	109	S15	S15-T17 PolarHBondContact O-N 3.43Å
18	Y	28.9	Very low	27.4	Very low	207 Å²	207	129.2 Å²	129.2	81%	0.812	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-67.2	130.3	170.5	-76.4	-91.8	0	0	0	109.6	N16 S20	N16-Y18 WeakPolarHBondContact O-CD2 3.47Å; N16-Y18 PolarHBondContact O-N 2.89Å; Y18-S20 PolarHBondContact O-N 3.27Å
19	P	30	Very low	27.6	Very low	120 Å²	120	127.5 Å²	127.5	78%	0.779	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-68.8	128.3	172.3	27.1	-29.7	0	0	0	109.4
20	S	26.9	Very low	27.6	Very low	108 Å²	108	128 Å²	128	76%	0.755	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-57.2	137.1	176.6	46.7	0	0	0	0	111.4	Y18	Y18-S20 PolarHBondContact O-N 3.27Å
21	P	30.4	Very low	27.6	Very low	114 Å²	114	128.7 Å²	128.7	74%	0.74	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-66.1	147.9	-178.2	27.1	-33.2	0	0	0	111.7
22	P	29.1	Very low	27.6	Very low	117 Å²	117	130.1 Å²	130.1	76%	0.76	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-65.3	145.4	-179.4	26.4	-32.7	0	0	0	111.5
23	P	30.8	Very low	27.5	Very low	117 Å²	117	130.5 Å²	130.5	76%	0.76	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-66.4	146.4	-177.5	26.3	-33	0	0	0	112
24	P	30.7	Very low	27.4	Very low	115 Å²	115	131 Å²	131	75%	0.747	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-67.9	147.9	-176.6	27.7	-33.6	0	0	0	111.8
25	P	28.3	Very low	27.2	Very low	119 Å²	119	129.4 Å²	129.4	77%	0.773	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-65.9	145.5	-178.6	26.7	-32.6	0	0	0	111.4	T27	P25-T27 PolarHBondContact O-N 3.23Å
26	P	31.2	Very low	27.2	Very low	123 Å²	123	131.1 Å²	131.1	80%	0.799	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-67.8	128.6	-174.2	26.3	-32.3	0	0	0	111.4	T28	P26-T28 PolarHBondContact O-N 2.92Å; P26-T28 VanDerWaalsContact O-N 3.16Å
27	T	27.3	Very low	27	Very low	137 Å²	137	130.4 Å²	130.4	84%	0.84	79%	0.788	S	S	*	*			trans	-56.8	109.5	174.7	42.7	0	0	0	0	111	P25 T29	P25-T27 PolarHBondContact O-N 3.23Å; T27-T29 PolarHBondContact O-N 3.04Å
28	T	29.3	Very low	26.9	Very low	133 Å²	133	131.8 Å²	131.8	82%	0.816	79%	0.791	S	S	*	*			trans	-67.9	120	168.2	32.2	0	0	0	0	109.6	P26 N30	P26-T28 PolarHBondContact O-N 2.92Å; P26-T28 VanDerWaalsContact O-N 3.16Å; T28-N30 PolarHBondContact O-N 2.99Å
29	T	27.5	Very low	26.7	Very low	130 Å²	130	129 Å²	129	80%	0.798	79%	0.79	S	S	*	*			trans	-57.1	127.5	176.4	39.4	0	0	0	0	111.7	T27 T31	T27-T29 PolarHBondContact O-N 3.04Å; T29-T31 PolarHBondContact O-N 3.03Å; T29-T31 VanDerWaalsContact O-N 3.09Å
30	N	25.5	Very low	26.4	Very low	160 Å²	160	130.4 Å²	130.4	86%	0.856	79%	0.791	S	S	*	*			trans	-43.5	106.2	173.9	-72	-25.6	0	0	0	112.9	T28 T32	T28-N30 PolarHBondContact O-N 2.99Å; N30-T32 PolarHBondContact O-N 3.49Å
31	T	26.1	Very low	26.4	Very low	124 Å²	124	133 Å²	133	76%	0.761	80%	0.797	S	S	*	*			trans	-77.2	108	157.2	27.5	0	0	0	0	108.5	T29 I33	T29-T31 PolarHBondContact O-N 3.03Å; T29-T31 VanDerWaalsContact O-N 3.09Å; T31-I33 PolarHBondContact O-N 3.13Å
32	T	23.4	Very low	26	Very low	136 Å²	136	134.1 Å²	134.1	83%	0.834	80%	0.801	S	S	*	*			trans	-54.9	102.9	167.3	27.1	0	0	0	0	110.4	N30	N30-T32 PolarHBondContact O-N 3.49Å
33	I	23.6	Very low	25.7	Very low	140 Å²	140	134.5 Å²	134.5	72%	0.718	81%	0.805	S	S	*	*			trans	-90.2	103	166.7	-62.5	175	0	0	0	107.2	T31 T35	T31-I33 PolarHBondContact O-N 3.13Å; I33-T35 HydrophobicContact CG2-CG2 3.96Å; I33-T35 PolarHBondContact O-N 3.48Å
34	T	21.5	Very low	25.3	Very low	137 Å²	137	136.4 Å²	136.4	84%	0.84	81%	0.808	S	S	*	*			trans	-68	107.5	164.4	31.7	0	0	0	0	109.4
35	T	22.8	Very low	25	Very low	120 Å²	120	135.3 Å²	135.3	74%	0.736	81%	0.808	S	S	*	*			trans	-116	109.1	166.5	37.8	0	0	0	0	110	I33 S37	I33-T35 HydrophobicContact CG2-CG2 3.96Å; I33-T35 PolarHBondContact O-N 3.48Å; T35-S37 PolarHBondContact O-N 3.24Å
36	T	23.1	Very low	24.7	Very low	139 Å²	139	135.9 Å²	135.9	85%	0.853	81%	0.809	S	S	*	*			trans	-60.9	109.7	169.5	42.6	0	0	0	0	110.4	N38	T36-N38 PolarHBondContact O-N 2.8Å
37	S	24.5	Very low	24.3	Very low	109 Å²	109	136.4 Å²	136.4	76%	0.762	81%	0.81	S	S	*	*			trans	-83.5	103.4	173.4	64.2	0	0	0	0	110.3	T35 N39	T35-S37 PolarHBondContact O-N 3.24Å; S37-N39 PolarHBondContact O-N 2.85Å
38	N	24.6	Very low	24.1	Very low	163 Å²	163	138 Å²	138	87%	0.872	81%	0.813	S	S	*	*			trans	-67.2	119.5	166.1	-96.5	-16.8	0	0	0	109.8	T36 N40	T36-N38 PolarHBondContact O-N 2.8Å; N38-N40 PolarHBondContact O-N 3.04Å
39	N	23.6	Very low	23.8	Very low	147 Å²	147	136.8 Å²	136.8	79%	0.786	81%	0.807	S	S	*	*			trans	-66.2	121.2	167.1	-78.4	-32.8	0	0	0	109.4	S37	S37-N39 PolarHBondContact O-N 2.85Å
40	N	24.6	Very low	23.6	Very low	151 Å²	151	137.8 Å²	137.8	81%	0.807	81%	0.808	S	S	*	*			trans	177.3	102.5	145.8	-90.1	-16.8	0	0	0	108.2	N38	N38-N40 PolarHBondContact O-N 3.04Å
41	N	26.4	Very low	23.4	Very low	163 Å²	163	136.3 Å²	136.3	87%	0.872	81%	0.805	S	S	*	*			trans	-154.5	90.5	157.2	-93.5	-21.8	0	0	0	109.5
42	T	22.8	Very low	23.3	Very low	137 Å²	137	141.1 Å²	141.1	84%	0.84	82%	0.816	S	S	*	*			trans	-70.4	109.7	164.2	41.6	0	0	0	0	109.4
43	C	22.8	Very low	23.1	Very low	124 Å²	124	143 Å²	143	84%	0.838	82%	0.815	S	S	*	*			trans	-103.5	118.8	170.6	-70.7	0	0	0	0	110.5
44	I	22.8	Very low	23.1	Very low	158 Å²	158	141.4 Å²	141.4	81%	0.81	82%	0.816	S	S	*	*			trans	-72.4	124.1	-179.5	-65.1	163.5	0	0	0	108.9
45	A	23.7	Very low	23.1	Very low	91 Å²	91	139.8 Å²	139.8	75%	0.752	81%	0.81	S	S	*	*			trans	-87.9	108.4	174.1	0	0	0	0	0	109.6
46	T	22.5	Very low	23.1	Very low	131 Å²	131	142.2 Å²	142.2	80%	0.804	82%	0.817	S	S	*	*			trans	-78.4	114.8	170.6	28.5	0	0	0	0	110.1
47	T	22.6	Very low	22.9	Very low	134 Å²	134	144.2 Å²	144.2	82%	0.822	82%	0.816	S	S	*	*			trans	-82.8	122.4	173.1	47.8	0	0	0	0	110.3
48	L	21.8	Very low	22.9	Very low	172 Å²	172	143.8 Å²	143.8	90%	0.901	81%	0.813	S	S	*	*			trans	-105.6	124.9	167	-110.7	139.6	0	0	0	108.8
49	P	24.2	Very low	22.7	Very low	106 Å²	106	143.1 Å²	143.1	69%	0.688	81%	0.81	S	S	*	*			trans	-93.9	140.7	-168.9	34.8	-32.1	0	0	0	113.9
50	N	22.4	Very low	22.8	Very low	151 Å²	151	143.6 Å²	143.6	81%	0.807	81%	0.812	S	S	*	*			trans	31.6	121.2	140.6	-61.3	-13.4	0	0	0	119.6
51	T	21.9	Very low	22.6	Very low	130 Å²	130	144 Å²	144	80%	0.798	81%	0.813	S	S	*	*				177.5	111.4	123.5	23.3	0	0	0	0	110
52	F	22.8	Very low	22.5	Very low	225 Å²	225	142.1 Å²	142.1	99%	0.987	80%	0.803	S	S	*	*			trans	-155.7	113.8	143.1	-104.1	-73.5	0	0	0	108.5
53	H	20.6	Very low	22.5	Very low	176 Å²	176	141.6 Å²	141.6	82%	0.815	80%	0.795	S	S	*	*			trans	-105.7	153.6	-170.4	-136	-87.8	0	0	0	109.7
54	S	22.4	Very low	22.4	Very low	106 Å²	106	143 Å²	143	74%	0.741	79%	0.789	S	S	*	*			trans	68.2	142.3	161.6	74.4	0	0	0	0	117.2
55	S	22.1	Very low	22.5	Very low	102 Å²	102	144 Å²	144	71%	0.713	78%	0.784	S	S	*	*			cis	-178.1	122.3	4.7	32.1	0	0	0	0	106.9
56	I	22.7	Very low	22.4	Very low	172 Å²	172	146.8 Å²	146.8	88%	0.882	78%	0.784	S	S	*	*			trans	-134.7	104.2	159.9	-63.6	-178.3	0	0	0	107.1	S58	I56-S58 PolarHBondContact O-N 3.42Å
57	Q	20.2	Very low	22.4	Very low	180 Å²	180	149.1 Å²	149.1	84%	0.841	78%	0.783	S	S	*	*			trans	-62	116.8	172	-97.4	161.4	-54.6	0	0	110.1
58	S	23.6	Very low	22.3	Very low	100 Å²	100	149.5 Å²	149.5	70%	0.699	78%	0.781	S	S	*	*			trans	-107.2	102.6	158.3	58.4	0	0	0	0	108.3	I56 L60	I56-S58 PolarHBondContact O-N 3.42Å; S58-L60 PolarHBondContact O-N 3.37Å; S58-L60 VanDerWaalsContact O-N 3.16Å
59	N	20.4	Very low	22.4	Very low	150 Å²	150	147.8 Å²	147.8	80%	0.802	77%	0.771	S	S	*	*			trans	-64.8	104.6	163.1	-77.9	-16.4	0	0	0	108.4
60	L	24.8	Very low	22.2	Very low	157 Å²	157	150.9 Å²	150.9	82%	0.822	78%	0.776	S	S	*	*			trans	-123.9	107	162.4	-115.8	143.5	0	0	0	105.5	S58	S58-L60 PolarHBondContact O-N 3.37Å; S58-L60 VanDerWaalsContact O-N 3.16Å
61	L	22.4	Very low	22.4	Very low	160 Å²	160	150.5 Å²	150.5	84%	0.838	77%	0.774	S	S	*	*			trans	-53.7	137.5	-172.2	-88.3	86.4	0	0	0	112.3
62	D	22.3	Very low	22.5	Very low	123 Å²	123	150 Å²	150	66%	0.658	77%	0.771	S	S	*	*			trans	-50.9	121	173.1	-63.2	-59.8	0	0	0	113.6	H64	D62-H64 IonicContact OD1-CE1 2.63Å; D62-H64 PolarHBondContact OD1-CE1 2.8Å; D62-H64 IonicContact OD1-ND1 3.19Å; D62-H64 PolarHBondContact OD1-ND1 2.67Å
63	N	22.8	Very low	22.7	Very low	126 Å²	126	145.8 Å²	145.8	67%	0.674	76%	0.763	S	S	*	*			trans	-114.1	80.7	150.5	-79.7	-25	0	0	0	107	Y65	N63-Y65 HydrophobicContact CB-CD2 4.26Å; N63-Y65 HydrophobicContact CB-CE2 3.67Å; N63-Y65 WeakPolarHBondContact O-CD2 3.35Å; N63-Y65 PolarHBondContact O-N 3.14Å
64	H	22.6	Very low	23	Very low	154 Å²	154	144.7 Å²	144.7	71%	0.713	76%	0.764	S	S	*	*			trans	-71.2	102.4	169.2	-80.4	44.3	0	0	0	108.3	D62 I66	D62-H64 IonicContact OD1-CE1 2.63Å; D62-H64 PolarHBondContact OD1-CE1 2.8Å; D62-H64 IonicContact OD1-ND1 3.19Å; D62-H64 PolarHBondContact OD1-ND1 2.67Å; H64-I66 PolarHBondContact O-N 3.13Å
65	Y	23.5	Very low	23.2	Very low	178 Å²	178	146.3 Å²	146.3	70%	0.698	76%	0.764	S	S	*	*			trans	-86.1	109.1	171.2	-70.2	-80	0	0	0	109.1	N63 F67	N63-Y65 HydrophobicContact CB-CD2 4.26Å; N63-Y65 HydrophobicContact CB-CE2 3.67Å; N63-Y65 WeakPolarHBondContact O-CD2 3.35Å; N63-Y65 PolarHBondContact O-N 3.14Å; Y65-F67 PolarHBondContact O-N 3.3Å
66	I	21.3	Very low	23.4	Very low	149 Å²	149	147.2 Å²	147.2	76%	0.764	77%	0.77	S	S	*	*			trans	-75.6	114	171.8	-61.6	169.7	0	0	0	106.8	H64	H64-I66 PolarHBondContact O-N 3.13Å
67	F	23.4	Very low	23.5	Very low	180 Å²	180	146.5 Å²	146.5	79%	0.789	77%	0.767	S	S	*	*			trans	-90.7	101.5	169.3	-76.6	-85.4	0	0	0	108.5	Y65 I69	Y65-F67 PolarHBondContact O-N 3.3Å; F67-I69 PolarHBondContact O-N 3.27Å
68	D	20.1	Very low	23.7	Very low	143 Å²	143	146.7 Å²	146.7	77%	0.765	77%	0.767	S	S	*	*			trans	-71.3	104.2	166.1	-96.1	-25.3	0	0	0	108.8	H70	D68-H70 PolarHBondContact O-N 3.04Å
69	I	23.9	Very low	23.7	Very low	135 Å²	135	149.7 Å²	149.7	69%	0.692	78%	0.776	S	S	*	*			trans	-88.8	101.3	168.1	-61.2	174	0	0	0	106.6	F67 N71	F67-I69 PolarHBondContact O-N 3.27Å; I69-N71 PolarHBondContact O-N 3.25Å
70	H	21.1	Very low	23.8	Very low	171 Å²	171	149.5 Å²	149.5	79%	0.792	77%	0.77	S	S	*	*			trans	-65	84.9	166.7	-96.1	-81.7	0	0	0	109.4	D68	D68-H70 PolarHBondContact O-N 3.04Å
71	N	25.3	Very low	23.7	Very low	144 Å²	144	149.7 Å²	149.7	77%	0.77	77%	0.771	S	S	*	*			trans	-92.6	98.3	164.3	-105.4	1	0	0	0	108.6	I69 T73	I69-N71 PolarHBondContact O-N 3.25Å; N71-T73 PolarHBondContact O-N 3.09Å
72	T	24.5	Very low	23.8	Very low	120 Å²	120	149.6 Å²	149.6	74%	0.736	76%	0.761	S	S	*	*			trans	-74.1	97.4	164.9	47.9	0	0	0	0	108.9
73	T	27.3	Very low	23.9	Very low	135 Å²	135	148.3 Å²	148.3	83%	0.828	76%	0.758	S	S	*	*			trans	-176.1	139.2	143.9	40.5	0	0	0	0	109.9	N71	N71-T73 PolarHBondContact O-N 3.09Å
74	N	26	Very low	24.1	Very low	153 Å²	153	147.6 Å²	147.6	82%	0.818	76%	0.758	S	S	*	*			trans	-45.8	159	-171.2	-70.1	-21.7	0	0	0	118.1
75	D	27.5	Very low	24.3	Very low	141 Å²	141	146.4 Å²	146.4	75%	0.754	76%	0.756	S	S	*	*			trans	90.9	93	158.5	-58.2	-21	0	0	0	118.5	I77	D75-I77 PolarHBondContact O-N 3.4Å
76	S	25	Very low	24.4	Very low	120 Å²	120	144.4 Å²	144.4	84%	0.839	75%	0.753	S	S	*	*			trans	10.5	95.9	147.4	59.4	0	0	0	0	118.1
77	I	26.2	Very low	24.6	Very low	158 Å²	158	143.4 Å²	143.4	81%	0.81	75%	0.749	S	S	*	*			trans	-136.4	123	153.6	-60.3	-178.3	0	0	0	108	D75	D75-I77 PolarHBondContact O-N 3.4Å
78	E	23.5	Very low	24.8	Very low	183 Å²	183	140.3 Å²	140.3	86%	0.855	74%	0.739	S	S	*	*			trans	-54.4	134.8	-176.1	-74.6	176.7	137.5	0	0	113.3	Q80	E78-Q80 PolarHBondContact O-N 3.01Å
79	N	23.5	Very low	25.1	Very low	164 Å²	164	142.3 Å²	142.3	88%	0.877	74%	0.741	S	S	*	*			trans	-57.3	97	177	-67	-29.5	0	0	0	112.1
80	Q	22.9	Very low	25.2	Very low	146 Å²	146	140.3 Å²	140.3	68%	0.682	74%	0.739	S	S	*	*			trans	-95.4	108.7	162	-73.7	-153.9	-11.8	0	0	110.9	E78 Y82	E78-Q80 PolarHBondContact O-N 3.01Å; Q80-Y82 HydrophobicContact CB-CE2 4.04Å; Q80-Y82 VanDerWaalsContact O-CD2 3.32Å; Q80-Y82 WeakPolarHBondContact O-CD2 3.11Å; Q80-Y82 PolarHBondContact O-N 3.08Å; Q80-Y82 PolarHBondContact OE1-OH 3.34Å
81	L	23.1	Very low	25.4	Very low	161 Å²	161	137.8 Å²	137.8	84%	0.843	74%	0.736	S	S	*	*			trans	-71.7	113.4	177.8	-148.2	85.8	0	0	0	109.3
82	Y	23.5	Very low	25.3	Very low	157 Å²	157	135.2 Å²	135.2	62%	0.616	73%	0.729	S	S	*	*			trans	-104.8	113.7	173.5	-64.8	-77.6	0	0	0	110.4	Q80	Q80-Y82 HydrophobicContact CB-CE2 4.04Å; Q80-Y82 VanDerWaalsContact O-CD2 3.32Å; Q80-Y82 WeakPolarHBondContact O-CD2 3.11Å; Q80-Y82 PolarHBondContact O-N 3.08Å; Q80-Y82 PolarHBondContact OE1-OH 3.34Å
83	T	25.1	Very low	25.4	Very low	97 Å²	97	139 Å²	139	60%	0.595	74%	0.74	S	S	*	*			trans	-86	151.2	171.6	40.6	0	0	0	0	111.2	D85 H86	T83-D85 PolarHBondContact O-N 3.38Å; T83-H86 WeakPolarHBondContact O-CB 3.38Å; T83-H86 PolarHBondContact O-N 3Å
84	V	27.6	Very low	25.1	Very low	111 Å²	111	141.4 Å²	141.4	67%	0.673	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.1	-25.4	-169.9	176.2	0	0	0	0	114.4	H86 L87 I88	V84-H86 PolarHBondContact O-N 3.01Å; V84-L87 PolarHBondContact O-N 3.21Å; V84-I88 HydrophobicContact CG1-CD1 4.48Å; V84-I88 PolarHBondContact O-N 2.87Å
85	D	26.2	Very low	25	Very low	128 Å²	128	139.4 Å²	139.4	68%	0.684	74%	0.738	S	S	*	*	H	α-helix	trans	-60.9	-24.6	174.7	-81.1	-17.9	0	0	0	113.4	T83	T83-D85 PolarHBondContact O-N 3.38Å
86	H	26.4	Very low	24.8	Very low	136 Å²	136	142.6 Å²	142.6	63%	0.63	75%	0.745	S	S	*	*	H	α-helix	trans	-76.3	-22.4	176.6	-130.6	-78.7	0	0	0	113.2	T83 V84	T83-H86 WeakPolarHBondContact O-CB 3.38Å; T83-H86 PolarHBondContact O-N 3Å; V84-H86 PolarHBondContact O-N 3.01Å
87	L	24.8	Very low	24.7	Very low	128 Å²	128	142.4 Å²	142.4	67%	0.67	74%	0.744	S	S	*	*	H	α-helix	trans	-84.1	-25.9	176.2	-101.6	113.4	0	0	0	113	V84 K89 S90	V84-L87 PolarHBondContact O-N 3.21Å; L87-K89 VanDerWaalsContact C-N 3.31Å; L87-K89 PolarHBondContact O-N 2.91Å; L87-S90 PolarHBondContact O-OG 2.83Å
88	I	27.9	Very low	24.7	Very low	116 Å²	116	144.8 Å²	144.8	60%	0.595	75%	0.748	S	S	*	*	H	α-helix	trans	-73.7	-26.2	179	-62.5	175	0	0	0	111.3	V84	V84-I88 HydrophobicContact CG1-CD1 4.48Å; V84-I88 PolarHBondContact O-N 2.87Å
89	K	25.9	Very low	24.7	Very low	185 Å²	185	147 Å²	147	80%	0.804	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-14.7	179.1	-91.8	-179.3	178.6	172.8	0	115.1	L87	L87-K89 VanDerWaalsContact C-N 3.31Å; L87-K89 PolarHBondContact O-N 2.91Å
90	S	25.5	Very low	24.7	Very low	92 Å²	92	147 Å²	147	64%	0.643	75%	0.748	S	S	*	*	S	Bend	trans	-87.6	-9.2	-176.9	62.7	0	0	0	0	114.5	L87 S92	L87-S90 PolarHBondContact O-OG 2.83Å; S90-S92 VanDerWaalsContact C-N 3.32Å; S90-S92 PolarHBondContact O-N 3.24Å; S90-S92 VanDerWaalsContact O-N 3.13Å
91	T	25.5	Very low	24.7	Very low	119 Å²	119	148.6 Å²	148.6	73%	0.73	76%	0.755	S	S	*	*			trans	-89.7	64.6	173.3	53.6	0	0	0	0	112
92	S	22.9	Very low	24.7	Very low	89 Å²	89	150.1 Å²	150.1	62%	0.622	76%	0.755	S	S	*	*			trans	-95	82.3	166.9	164.2	0	0	0	0	109.9	S90	S90-S92 VanDerWaalsContact C-N 3.32Å; S90-S92 PolarHBondContact O-N 3.24Å; S90-S92 VanDerWaalsContact O-N 3.13Å
93	M	26.2	Very low	24.7	Very low	199 Å²	199	151.1 Å²	151.1	98%	0.98	77%	0.765	S	S	*	*			trans	-101.1	93.3	162.6	-81.4	-138.9	163.9	0	0	110.3
94	K	21.7	Very low	24.6	Very low	186 Å²	186	153.2 Å²	153.2	81%	0.809	78%	0.777	S	S	*	*			trans	-65.6	138.6	168.3	-77.5	175	174	174.1	0	110.6
95	S	23	Very low	24.4	Very low	112 Å²	112	153.1 Å²	153.1	78%	0.783	78%	0.777	S	S	*	*			trans	65.4	92.7	149.9	173	0	0	0	0	118.1
96	K	23.5	Very low	24.3	Very low	208 Å²	208	154.9 Å²	154.9	90%	0.904	79%	0.786	S	S	*	*			trans	-162.9	106.8	137.5	-108.7	167.8	-174.6	179.8	0	112.3
97	S	22.8	Very low	24.2	Very low	116 Å²	116	151.9 Å²	151.9	81%	0.811	78%	0.78	S	S	*	*			trans	60.5	111.7	148.2	-151.5	0	0	0	0	121.3	R99	S97-R99 VanDerWaalsContact C-N 3.3Å; S97-R99 PolarHBondContact O-N 3.41Å
98	K	26.5	Very low	24.3	Very low	207 Å²	207	151.8 Å²	151.8	90%	0.9	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.3	46.1	179.4	-97.4	-179.7	173.8	179.4	0	117.3
99	R	23.9	Very low	24.3	Very low	229 Å²	229	154.1 Å²	154.1	86%	0.864	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.2	10.4	173.9	-146.8	173.4	179.2	163.6	0.8	117	S97	S97-R99 VanDerWaalsContact C-N 3.3Å; S97-R99 PolarHBondContact O-N 3.41Å
100	L	23.1	Very low	24.2	Very low	164 Å²	164	152.9 Å²	152.9	86%	0.859	79%	0.789	S	S	*	*			trans	-121.7	23.5	177.5	-113	91.1	0	0	0	115	K102	L100-K102 VanDerWaalsContact C-N 3.33Å; L100-K102 PolarHBondContact O-N 3.16Å
101	E	23.1	Very low	24.1	Very low	180 Å²	180	154.6 Å²	154.6	84%	0.841	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	80.2	169	-77.1	-179.4	176.9	0	0	110.3
102	K	23.5	Very low	24.1	Very low	194 Å²	194	152.6 Å²	152.6	84%	0.843	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-163.2	1.8	152.4	-113.3	173.7	-171.4	-173.4	0	116.9	L100	L100-K102 VanDerWaalsContact C-N 3.33Å; L100-K102 PolarHBondContact O-N 3.16Å
103	H	23.2	Very low	24.2	Very low	177 Å²	177	154.7 Å²	154.7	82%	0.819	78%	0.778	S	S	*	*			trans	-137.3	80.6	-176.9	-75.3	-80.9	0	0	0	112.4
104	V	23.2	Very low	24.1	Very low	141 Å²	141	148.5 Å²	148.5	86%	0.855	75%	0.749	S	S	*	*			trans	-148.2	88.1	149	-172.7	0	0	0	0	106.7
105	T	23	Very low	24.1	Very low	109 Å²	109	148 Å²	148	67%	0.669	75%	0.747	S	S	*	*			trans	-88.7	128	163.9	44	0	0	0	0	107.4	S107	T105-S107 PolarHBondContact O-N 3.43Å
106	L	23.8	Very low	24.1	Very low	166 Å²	166	147.2 Å²	147.2	87%	0.869	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	38.1	-169.9	-154.5	94.4	0	0	0	114.6
107	S	25.4	Very low	24.2	Very low	72 Å²	72	143.2 Å²	143.2	50%	0.503	74%	0.735	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111.1	0.4	-171.3	47.2	0	0	0	0	114.9	T105	T105-S107 PolarHBondContact O-N 3.43Å
108	D	26.3	Very low	24.1	Very low	127 Å²	127	146.7 Å²	146.7	68%	0.679	74%	0.735	S	S	*	*	S	Bend	trans	-90.8	1.6	-173.5	-71	-9.3	0	0	0	114.5
109	E	27.8	Very low	23.9	Very low	165 Å²	165	143.7 Å²	143.7	77%	0.771	73%	0.729	S	S	*	*	S	Bend	trans	-101	-1.9	-166	-102.1	-178.2	171.6	0	0	117.5
110	I	24.3	Very low	23.7	Very low	158 Å²	158	142.3 Å²	142.3	81%	0.81	73%	0.732	S	S	*	*	S	Bend	trans	-97.3	-9.4	-166.8	-63.4	180	0	0	0	115.5
111	L	24.4	Very low	23.6	Very low	128 Å²	128	141.6 Å²	141.6	67%	0.67	72%	0.724	S	S	*	*	S	Bend	trans	-99	4.1	-177.1	-102.9	155.1	0	0	0	117.3	L197	L111-L197 HydrophobicContact CD1-CD1 4.33Å; L111-L197 HydrophobicContact CD1-CD2 3.66Å
112	D	25.4	Very low	23.5	Very low	77 Å²	77	141.3 Å²	141.3	41%	0.412	72%	0.722	S	S	.	*			trans	-136.9	70.3	175.9	-76	-44.2	0	0	0	112.4	N114	D112-N114 VanDerWaalsContact C-N 3.34Å; D112-N114 PolarHBondContact O-N 3.34Å; D112-N114 VanDerWaalsContact O-N 3.11Å
113	I	23.9	Very low	23.4	Very low	133 Å²	133	143.2 Å²	143.2	68%	0.682	73%	0.726	S	S	*	*			trans	-75.6	95.4	157.6	-60.9	178.1	0	0	0	107	F115	I113-F115 PolarHBondContact O-N 3.07Å
114	N	25	Very low	23.2	Very low	69 Å²	69	142.1 Å²	142.1	37%	0.369	72%	0.724	S	S	.	*			trans	-70.2	111.3	171.5	-80.5	-39.1	0	0	0	110.1	D112 Y331	D112-N114 VanDerWaalsContact C-N 3.34Å; D112-N114 PolarHBondContact O-N 3.34Å; D112-N114 VanDerWaalsContact O-N 3.11Å; N114-Y331 HydrophobicContact CB-CE1 4.33Å; N114-Y331 WeakPolarHBondContact ND2-CE1 3.35Å
115	F	21.8	Very low	23.2	Very low	175 Å²	175	144.3 Å²	144.3	77%	0.768	72%	0.723	S	S	*	*			trans	-76.4	128.9	154.3	-80.5	-82.3	0	0	0	108.6	I113	I113-F115 PolarHBondContact O-N 3.07Å
116	P	22.1	Very low	23.3	Very low	97 Å²	97	144.1 Å²	144.1	63%	0.63	73%	0.725	S	S	*	*			trans	-68.4	152.6	178.7	27.9	-32.1	0	0	0	111.1	F118	P116-F118 PolarHBondContact O-N 3.38Å
117	P	25.1	Very low	23.3	Very low	124 Å²	124	142.1 Å²	142.1	81%	0.805	72%	0.716	S	S	*	*			trans	-84	89.3	-162.9	34.5	-33.4	0	0	0	111
118	F	21.9	Very low	23.3	Very low	188 Å²	188	145.8 Å²	145.8	83%	0.825	73%	0.73	S	S	*	*			trans	-124.3	98	154	-66.7	-76.1	0	0	0	106.6	P116	P116-F118 PolarHBondContact O-N 3.38Å
119	L	21.9	Very low	23.2	Very low	145 Å²	145	150 Å²	150	76%	0.759	74%	0.738	S	S	*	*			trans	-179.7	87.9	152.6	-93.7	160.9	0	0	0	106.5	H121	L119-H121 WeakPolarHBondContact CD2-NE2 3.44Å; L119-H121 PolarHBondContact O-N 3.01Å
120	Q	20.2	Very low	23	Very low	200 Å²	200	151.7 Å²	151.7	94%	0.935	74%	0.738	S	S	*	*			trans	-72.3	74.4	173.4	-162	169.5	10	0	0	108.2
121	H	21.6	Very low	23	Very low	149 Å²	149	150.3 Å²	150.3	69%	0.69	73%	0.733	S	S	*	*			trans	-94.4	109	173.7	-85.7	-63.5	0	0	0	110.6	L119	L119-H121 WeakPolarHBondContact CD2-NE2 3.44Å; L119-H121 PolarHBondContact O-N 3.01Å
122	H	20	Very low	23.1	Very low	174 Å²	174	153.2 Å²	153.2	81%	0.806	74%	0.74	S	S	*	*			trans	4.9	111.8	158	-83.8	-85.6	0	0	0	116.9	I124	H122-I124 PolarHBondContact O-N 3Å
123	Y	21.1	Very low	23	Very low	233 Å²	233	158.1 Å²	158.1	91%	0.914	76%	0.758	S	S	*	*			trans	-49.9	106.2	159.5	-85.8	-97.3	0	0	0	110.5
124	I	20.1	Very low	23	Very low	155 Å²	155	157.8 Å²	157.8	80%	0.795	76%	0.757	S	S	*	*			trans	-85.9	111.6	160.5	-61.5	175.9	0	0	0	106	H122	H122-I124 PolarHBondContact O-N 3Å
125	K	21.5	Very low	23.1	Very low	187 Å²	187	161.2 Å²	161.2	81%	0.813	77%	0.774	S	S	*	*			trans	-57.4	134.2	177.7	-81.2	177.4	172.9	178.3	0	110.2	N127	K125-N127 PolarHBondContact O-N 2.89Å
126	S	26.5	Very low	23.2	Very low	104 Å²	104	158.8 Å²	158.8	73%	0.727	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	22.1	-168.2	55.2	0	0	0	0	117.3
127	N	23.8	Very low	23.5	Very low	125 Å²	125	161.6 Å²	161.6	67%	0.668	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-4.3	-175.8	-87.3	13.3	0	0	0	116.1	K125	K125-N127 PolarHBondContact O-N 2.89Å
128	D	24.9	Very low	23.5	Very low	149 Å²	149	164 Å²	164	80%	0.797	78%	0.784	S	S	*	*	S	Bend	trans	-101.6	-0.1	-175.5	-73.8	-15.5	0	0	0	115.6
129	Y	23.2	Very low	23.6	Very low	216 Å²	216	161.5 Å²	161.5	85%	0.847	78%	0.779	S	S	*	*	S	Bend	trans	-95.9	-21.2	178.2	-126.2	-91.9	0	0	0	114.8
130	Y	24.9	Very low	23.7	Very low	200 Å²	200	160.8 Å²	160.8	78%	0.784	78%	0.776	S	S	*	*	S	Bend	trans	-92.5	-13.8	-172.2	-94	-82.1	0	0	0	115.6	K132	Y130-K132 PolarHBondContact O-N 2.94Å
131	N	24.2	Very low	24.1	Very low	129 Å²	129	157.7 Å²	157.7	69%	0.69	77%	0.766	S	S	*	*	G	3₁₀ helix	trans	-89.4	7.7	-175.8	-75.8	-21	0	0	0	115.1
132	K	26.5	Very low	24.3	Very low	188 Å²	188	158.2 Å²	158.2	82%	0.817	77%	0.774	S	S	*	*	G	3₁₀ helix	trans	-90.1	0.8	179.8	-150.6	156.8	-174.5	175.8	0	115	Y130	Y130-K132 PolarHBondContact O-N 2.94Å
133	F	23.9	Very low	24.5	Very low	181 Å²	181	158.9 Å²	158.9	79%	0.794	78%	0.778	S	S	*	*	G	3₁₀ helix	trans	-125.8	37.5	174.4	-75.5	-79.7	0	0	0	112.7	I135	F133-I135 PolarHBondContact O-N 2.94Å; F133-I135 VanDerWaalsContact O-N 3.11Å
134	N	23.3	Very low	24.7	Very low	125 Å²	125	156.7 Å²	156.7	67%	0.668	77%	0.773	S	S	*	*			trans	-78.6	95.9	166.9	-136.1	15.5	0	0	0	108.6	D136	N134-D136 PolarHBondContact O-N 3.12Å
135	I	26.2	Very low	24.9	Very low	142 Å²	142	156.3 Å²	156.3	73%	0.728	77%	0.772	S	S	*	*			trans	-77.3	72	176.8	-55.4	178.1	0	0	0	107.9	F133	F133-I135 PolarHBondContact O-N 2.94Å; F133-I135 VanDerWaalsContact O-N 3.11Å
136	D	25.5	Very low	25	Very low	124 Å²	124	155.5 Å²	155.5	66%	0.663	78%	0.775	S	S	*	*			trans	-127.1	74.2	170.6	-78.2	-29.5	0	0	0	108.1	N134	N134-D136 PolarHBondContact O-N 3.12Å
137	N	26.6	Very low	24.8	Very low	155 Å²	155	155.9 Å²	155.9	83%	0.829	77%	0.773	S	S	*	*			trans	-179.8	40.1	156.5	-96.7	-29	0	0	0	114	N139	N137-N139 VanDerWaalsContact C-N 3.29Å; N137-N139 PolarHBondContact O-N 2.94Å
138	L	25.4	Very low	24.7	Very low	176 Å²	176	158.2 Å²	158.2	92%	0.921	79%	0.785	S	S	*	*			trans	-97.3	60.2	164.2	-138.1	86.6	0	0	0	110.1
139	N	23.6	Very low	24.5	Very low	135 Å²	135	156.2 Å²	156.2	72%	0.722	78%	0.778	S	S	*	*			trans	-106.3	129.5	171	-124.5	-5.7	0	0	0	109.2	N137	N137-N139 VanDerWaalsContact C-N 3.29Å; N137-N139 PolarHBondContact O-N 2.94Å
140	N	25.5	Very low	24.4	Very low	129 Å²	129	154.6 Å²	154.6	69%	0.69	78%	0.778	S	S	*	*	S	Bend	trans	85.3	113.5	165.1	-60.1	-27.2	0	0	0	119
141	N	27.1	Very low	24.3	Very low	135 Å²	135	152.3 Å²	152.3	72%	0.722	77%	0.774	S	S	*	*			trans	75.8	96.7	140.7	-54.7	-19	0	0	0	117
142	N	27.5	Very low	24.1	Very low	160 Å²	160	153.2 Å²	153.2	86%	0.856	78%	0.779	S	S	*	*				178.4	99.4	112.1	-83.2	-27.6	0	0	0	110.2	K144	N142-K144 PolarHBondContact O-N 2.99Å
143	E	23.6	Very low	23.9	Very low	189 Å²	189	154 Å²	154	88%	0.883	78%	0.778	S	S	*	*			trans	-60.2	121.8	153	-71.2	177.8	150.5	0	0	108.6
144	K	25.5	Very low	23.8	Very low	187 Å²	187	150.9 Å²	150.9	81%	0.813	78%	0.777	S	S	*	*			trans	175.9	114.4	139.6	-96.5	159.6	-172.8	-180	0	111.8	N142	N142-K144 PolarHBondContact O-N 2.99Å
145	N	23.9	Very low	23.7	Very low	146 Å²	146	154 Å²	154	78%	0.781	79%	0.792	S	S	*	*			trans	50.5	86.3	141.4	-57.8	-9.2	0	0	0	118.2	T147	N145-T147 PolarHBondContact O-N 3.21Å
146	I	24.5	Very low	23.5	Very low	171 Å²	171	152.8 Å²	152.8	88%	0.877	80%	0.796	S	S	*	*			trans	-82.5	93.1	162	-59.4	171.3	0	0	0	107.9
147	T	21.3	Very low	23.3	Very low	112 Å²	112	155.3 Å²	155.3	69%	0.687	81%	0.806	S	S	*	*			trans	-86.8	125.5	161.9	46.9	0	0	0	0	108.9	N145 T149	N145-T147 PolarHBondContact O-N 3.21Å; T147-T149 PolarHBondContact O-N 3.4Å
148	L	21.2	Very low	23	Very low	173 Å²	173	154.6 Å²	154.6	91%	0.906	80%	0.802	S	S	*	*			trans	-55.3	113.4	177.6	-75.1	110.4	0	0	0	111.5
149	T	21.3	Very low	23	Very low	108 Å²	108	151.9 Å²	151.9	66%	0.663	80%	0.795	S	S	*	*			trans	-123.9	119.7	163.4	46.3	0	0	0	0	109.9	T147 H151	T147-T149 PolarHBondContact O-N 3.4Å; T149-H151 PolarHBondContact O-N 3.21Å
150	E	20.7	Very low	22.9	Very low	182 Å²	182	152 Å²	152	85%	0.85	80%	0.801	S	S	*	*			trans	-56.6	113.2	179.3	-64.6	169.4	150.8	0	0	111.7	N152	E150-N152 PolarHBondContact O-N 3.07Å
151	H	22.9	Very low	22.8	Very low	151 Å²	151	153.4 Å²	153.4	70%	0.699	81%	0.807	S	S	*	*			trans	-85.5	93.9	169.5	-82.3	-73.7	0	0	0	110.2	T149 Y153	T149-H151 PolarHBondContact O-N 3.21Å; H151-Y153 HydrophobicContact CB-CD2 4.39Å; H151-Y153 HydrophobicContact CB-CE2 3.97Å; H151-Y153 PolarHBondContact O-N 3.13Å
152	N	20.2	Very low	22.6	Very low	148 Å²	148	152.4 Å²	152.4	79%	0.791	81%	0.808	S	S	*	*			trans	-71.8	107.4	162.3	-79.7	-36.5	0	0	0	109.4	E150 P154	E150-N152 PolarHBondContact O-N 3.07Å; N152-P154 WeakPolarHBondContact O-CD 3.32Å
153	Y	22.4	Very low	22.3	Very low	205 Å²	205	154.3 Å²	154.3	80%	0.804	81%	0.811	S	S	*	*			trans	-83.2	120	172	-77.8	-87.5	0	0	0	110.6	H151	H151-Y153 HydrophobicContact CB-CD2 4.39Å; H151-Y153 HydrophobicContact CB-CE2 3.97Å; H151-Y153 PolarHBondContact O-N 3.13Å
154	P	22.3	Very low	22.1	Very low	116 Å²	116	153.9 Å²	153.9	75%	0.753	81%	0.811	S	S	*	*			trans	-83.1	130.3	175.1	31.9	-29.1	0	0	0	110.9	N152 S156	N152-P154 WeakPolarHBondContact O-CD 3.32Å; P154-S156 PolarHBondContact O-N 2.71Å
155	L	21	Very low	21.9	Very low	189 Å²	189	150 Å²	150	99%	0.99	81%	0.807	S	S	*	*			trans	-60.5	110.6	173.5	-73	146.2	0	0	0	111.1
156	S	22.3	Very low	21.9	Very low	117 Å²	117	149.5 Å²	149.5	82%	0.818	81%	0.81	S	S	*	*			trans	-114.8	124.6	166.1	67.8	0	0	0	0	110.8	P154	P154-S156 PolarHBondContact O-N 2.71Å
157	M	21.3	Very low	21.8	Very low	177 Å²	177	148 Å²	148	87%	0.872	80%	0.804	S	S	*	*			trans	-64.7	147.6	-176.1	-69.6	-165	-172.3	0	0	115.1
158	N	20.2	Very low	21.9	Very low	140 Å²	140	152 Å²	152	75%	0.749	81%	0.812	S	S	*	*			trans	57.2	123.7	146.4	-79.4	-12.6	0	0	0	119.6
159	P	24.6	Very low	22	Very low	120 Å²	120	151.1 Å²	151.1	78%	0.779	81%	0.806	S	S	*	*				-124.3	132.7	115.2	32.9	-22.8	0	0	0	112.2
160	T	21.6	Very low	22.2	Very low	136 Å²	136	150.7 Å²	150.7	83%	0.834	81%	0.808	S	S	*	*			trans	-41.3	122.8	170	39	0	0	0	0	115.2
161	I	23.5	Very low	22.3	Very low	159 Å²	159	147.2 Å²	147.2	82%	0.815	80%	0.799	S	S	*	*			trans	-116	135.1	160.7	-63.3	177.2	0	0	0	107
162	P	22.6	Very low	22.5	Very low	115 Å²	115	146 Å²	146	75%	0.747	80%	0.802	S	S	*	*			trans	-78.2	147.6	-157	30.7	-34.5	0	0	0	113.9	M164	P162-M164 PolarHBondContact O-N 3.42Å
163	H	20.8	Very low	22.9	Very low	200 Å²	200	144.2 Å²	144.2	93%	0.926	80%	0.801	S	S	*	*			trans	-42.2	109.6	175.7	-70.1	-92.9	0	0	0	114.2
164	M	20.4	Very low	23.1	Very low	179 Å²	179	139.7 Å²	139.7	88%	0.882	79%	0.791	S	S	*	*			trans	-111.3	126	156.7	-134.2	164.2	78.7	0	0	108.1	P162 T166	P162-M164 PolarHBondContact O-N 3.42Å; M164-T166 PolarHBondContact O-N 2.89Å
165	S	21.7	Very low	23.2	Very low	105 Å²	105	136.7 Å²	136.7	73%	0.734	78%	0.78	S	S	*	*			trans	-55	128	-169.8	43.6	0	0	0	0	113.1	D167	S165-D167 PolarHBondContact O-N 3.39Å
166	T	23.5	Very low	23.6	Very low	136 Å²	136	132 Å²	132	83%	0.834	76%	0.763	S	S	*	*			trans	-74.4	77	179.2	50	0	0	0	0	111.7	M164	M164-T166 PolarHBondContact O-N 2.89Å
167	D	21.7	Very low	23.7	Very low	139 Å²	139	131.3 Å²	131.3	74%	0.743	75%	0.749	S	S	*	*			trans	-105.5	88.5	167.3	-77.8	-32.6	0	0	0	110.6	S165 I169	S165-D167 PolarHBondContact O-N 3.39Å; D167-I169 PolarHBondContact O-N 2.84Å; D167-I169 VanDerWaalsContact O-N 3.13Å
168	K	24	Very low	24	Very low	198 Å²	198	125.8 Å²	125.8	86%	0.861	72%	0.724	S	S	*	*			trans	22.7	75.9	150.6	-63.8	176.2	-178.3	170.7	0	116.1	S170	K168-S170 PolarHBondContact O-N 3.34Å
169	I	23.3	Very low	24.4	Very low	154 Å²	154	127.4 Å²	127.4	79%	0.79	73%	0.725	S	S	*	*			trans	-66.8	103.3	157.8	-62.8	170	0	0	0	107.1	D167 T171	D167-I169 PolarHBondContact O-N 2.84Å; D167-I169 VanDerWaalsContact O-N 3.13Å; I169-T171 HydrophobicContact CG2-CG2 4.4Å; I169-T171 PolarHBondContact O-N 3.46Å
170	S	24.5	Very low	24.6	Very low	98 Å²	98	131 Å²	131	69%	0.685	73%	0.725	S	S	*	*			trans	-73.2	87.9	179.1	54.5	0	0	0	0	110.6	K168 T172	K168-S170 PolarHBondContact O-N 3.34Å; S170-T172 PolarHBondContact O-N 3.11Å
171	T	23.9	Very low	24.8	Very low	109 Å²	109	128.2 Å²	128.2	67%	0.669	71%	0.71	S	S	*	*			trans	-72.1	74.1	168.2	55.2	0	0	0	0	110.2	I169	I169-T171 HydrophobicContact CG2-CG2 4.4Å; I169-T171 PolarHBondContact O-N 3.46Å
172	T	26.1	Very low	24.9	Very low	126 Å²	126	125.2 Å²	125.2	77%	0.773	70%	0.698	S	S	*	*			trans	-124.7	59.4	175.2	40.2	0	0	0	0	111.7	S170	S170-T172 PolarHBondContact O-N 3.11Å
173	S	28.5	Very low	25.1	Very low	110 Å²	110	127.2 Å²	127.2	77%	0.769	70%	0.703	S	S	*	*	S	Bend	trans	-152.5	-16.1	150	67.2	0	0	0	0	113.5
174	L	27.7	Very low	25.4	Very low	111 Å²	111	124.2 Å²	124.2	58%	0.581	69%	0.694	S	S	*	*	S	Bend	trans	-89.1	-19.3	175.1	-151.8	72.6	0	0	0	114.2	S176 M177	L174-S176 PolarHBondContact O-N 3.47Å; L174-S176 VanDerWaalsContact O-N 3.13Å; L174-M177 PolarHBondContact O-N 2.86Å; L174-M177 VanDerWaalsContact O-N 3.11Å
175	G	24.7	Very low	25.7	Very low	52 Å²	52	127.2 Å²	127.2	54%	0.536	70%	0.697	S	S	.	*	H	α-helix	trans	-67	-12.6	-175.4	0	0	0	0	0	115.6
176	S	28.3	Very low	26.1	Very low	90 Å²	90	128.1 Å²	128.1	63%	0.629	69%	0.694	S	S	*	*	H	α-helix	trans	-83.5	-21.8	173.9	58.3	0	0	0	0	113.1	L174	L174-S176 PolarHBondContact O-N 3.47Å; L174-S176 VanDerWaalsContact O-N 3.13Å
177	M	25.1	Very low	26.6	Very low	104 Å²	104	130.9 Å²	130.9	51%	0.512	70%	0.697	S	S	.	*	H	α-helix	trans	-88.1	-38.8	-178.9	-155	171.1	79.1	0	0	112	L174 K179 Y180 L354	L174-M177 PolarHBondContact O-N 2.86Å; L174-M177 VanDerWaalsContact O-N 3.11Å; M177-K179 PolarHBondContact O-N 2.88Å; M177-Y180 PolarHBondContact O-N 3.07Å; M177-L354 HydrophobicContact CE-CD2 4.13Å
178	V	28.2	Very low	27.6	Very low	60 Å²	60	129 Å²	129	36%	0.364	69%	0.694	S	S	.	*	H	α-helix	trans	-65	-27.8	179.6	179.7	0	0	0	0	112.4	Y180 C181 T182	V178-Y180 PolarHBondContact O-N 3.33Å; V178-C181 PolarHBondContact O-N 2.65Å; V178-T182 HydrophobicContact CG1-CG2 4.38Å; V178-T182 PolarHBondContact O-OG1 3.22Å
179	K	28	Very low	29.3	Very low	175 Å²	175	123.3 Å²	123.3	76%	0.761	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-9.9	-179.9	-152.7	166.5	-172.8	167.9	0	114.3	M177	M177-K179 PolarHBondContact O-N 2.88Å
180	Y	28.4	Very low	31.7	Very low	196 Å²	196	117.9 Å²	117.9	77%	0.769	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	-3.1	175.4	-81.1	-76.5	0	0	0	114.2	M177 V178	M177-Y180 PolarHBondContact O-N 3.07Å; V178-Y180 PolarHBondContact O-N 3.33Å
181	C	26.9	Very low	34.4	Very low	77 Å²	77	114.5 Å²	114.5	52%	0.52	63%	0.629	S	S	.	*	S	Bend	trans	-107.3	-1.2	-179.6	-68.4	0	0	0	0	114.6	V178	V178-C181 PolarHBondContact O-N 2.65Å
182	T	24.3	Very low	37.4	Very low	95 Å²	95	109.3 Å²	109.3	58%	0.583	60%	0.597	S	S	*	*			trans	-104.7	22.3	-163.7	36.9	0	0	0	0	117.1	V178	V178-T182 HydrophobicContact CG1-CG2 4.38Å; V178-T182 PolarHBondContact O-OG1 3.22Å
183	D	27	Very low	40.2	Very low	157 Å²	157	105.3 Å²	105.3	84%	0.84	57%	0.571	S	S	*	*	S	Bend	trans	-107.5	-1.1	179.2	-86.7	-14.1	0	0	0	116.5
184	N	27.8	Very low	42.9	Very low	138 Å²	138	100.1 Å²	100.1	74%	0.738	54%	0.535	S	S	*	.			trans	-144.8	113.2	171.1	-73.9	-39	0	0	0	111.1	D186	N184-D186 VanDerWaalsContact C-N 3.32Å; N184-D186 PolarHBondContact O-N 3.29Å; N184-D186 VanDerWaalsContact O-N 3.07Å
185	Y	25	Very low	45.3	Very low	242 Å²	242	97.3 Å²	97.3	95%	0.949	52%	0.524	S	S	*	.			trans	-72.4	86.8	164.3	-87.5	-94.6	0	0	0	108.5
186	D	32	Very low	47.4	Very low	124 Å²	124	100.3 Å²	100.3	66%	0.663	52%	0.519	S	S	*	.			trans	-120.7	124	160.7	-77.9	-36.2	0	0	0	107	N184 S188	N184-D186 VanDerWaalsContact C-N 3.32Å; N184-D186 PolarHBondContact O-N 3.29Å; N184-D186 VanDerWaalsContact O-N 3.07Å; D186-S188 PolarHBondContact O-N 3.25Å
187	E	32.9	Very low	49.3	Very low	194 Å²	194	101.2 Å²	101.2	91%	0.907	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.9	126.9	-177.3	-72.8	174.7	149.4	0	0	111.7
188	S	43.3	Very low	51.4	Low	98 Å²	98	98.6 Å²	98.6	69%	0.685	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	52.4	170.5	68.3	0	0	0	0	116.3	D186 T190	D186-S188 PolarHBondContact O-N 3.25Å; S188-T190 VanDerWaalsContact C-N 3.33Å; S188-T190 PolarHBondContact O-N 3.36Å
189	S	59.9	Low	53.6	Low	79 Å²	79	101.9 Å²	101.9	55%	0.552	51%	0.512	S	S	*	.			trans	-68.8	84.5	178.7	73.9	0	0	0	0	112.6	T191	S189-T191 PolarHBondContact O-N 3.1Å
190	T	73.4	Confident	55.9	Low	40 Å²	40	94.4 Å²	94.4	25%	0.245	48%	0.48	C	S	.	.			trans	-59.6	125.7	169	52	0	0	0	0	109.3	S188 V346	S188-T190 VanDerWaalsContact C-N 3.33Å; S188-T190 PolarHBondContact O-N 3.36Å; T190-V346 WeakPolarHBondContact CA-O 3.2Å
191	T	82	Confident	58.3	Low	27 Å²	27	89.4 Å²	89.4	17%	0.166	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	147.7	178.3	-67	0	0	0	0	109.4	S189 K199 V346	S189-T191 PolarHBondContact O-N 3.1Å; T191-K199 HydrophobicContact CG2-CD 3.66Å; T191-K199 VanDerWaalsContact CG2-CE 3.44Å; T191-K199 HydrophobicContact CG2-CG 3.51Å; T191-V346 PolarHBondContact N-O 3.24Å; T191-V346 PolarHBondContact O-N 3.06Å
192	L	86.9	Confident	61.1	Low	0 Å²	0	88.8 Å²	88.8	0%	0	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	138.4	174.7	-60.7	177.8	0	0	0	110.4	L200 L202 I343 K344 W360 R416	L192-L200 HydrophobicContact CB-CB 3.89Å; L192-L200 PolarHBondContact N-O 2.85Å; L192-L200 PolarHBondContact O-N 3.4Å; L192-L202 HydrophobicContact CD1-CD2 4.04Å; L192-L202 HydrophobicContact CD2-CD2 4.38Å; L192-L202 HydrophobicContact CG-CD2 3.84Å; L192-I343 HydrophobicContact CB-CG2 4.21Å; L192-I343 HydrophobicContact CD1-CG2 4.49Å; L192-I343 HydrophobicContact CD2-CG2 4.26Å; L192-K344 CarbonylContact C-O 3.55Å; L192-K344 WeakPolarHBondContact CA-O 3.44Å; L192-W360 HydrophobicContact CD2-CH2 3.99Å; L192-W360 HydrophobicContact CD2-CZ2 4.13Å; L192-R416 HydrophobicContact CD1-CG 4.14Å
193	I	84.7	Confident	64.1	Low	42 Å²	42	84.3 Å²	84.3	22%	0.215	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.9	176	-58	-168.4	0	0	0	109.4	E198 I343 K344 V346	I193-E198 WeakPolarHBondContact CA-O 3.41Å; I193-I343 WeakPolarHBondContact O-CA 3.46Å; I193-K344 PolarHBondContact N-O 3.41Å; I193-K344 PolarHBondContact O-N 3.1Å; I193-V346 HydrophobicContact CB-CG2 4.09Å; I193-V346 HydrophobicContact CD1-CB 3.89Å; I193-V346 HydrophobicContact CD1-CG1 4.14Å; I193-V346 HydrophobicContact CD1-CG2 3.58Å; I193-V346 HydrophobicContact CG1-CB 4.16Å; I193-V346 HydrophobicContact CG1-CG2 3.74Å
194	L	84.2	Confident	66.8	Low	2 Å²	2	78.3 Å²	78.3	1%	0.01	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	150.9	171.5	-170.5	68.6	0	0	0	110	R196 L197 E198 L200 K341 T342 I343 M364 I412	L194-R196 HydrophobicContact CB-CG 4.46Å; L194-R196 HydrophobicContact CD2-CG 3.78Å; L194-R196 VanDerWaalsContact CD2-NE 3.31Å; L194-R196 HydrophobicContact CG-CG 4.13Å; L194-R196 PolarHBondContact O-N 2.97Å; L194-L197 PolarHBondContact O-N 2.73Å; L194-E198 HydrophobicContact CB-CB 4.23Å; L194-E198 PolarHBondContact N-O 2.88Å; L194-L200 HydrophobicContact CB-CD1 4.22Å; L194-K341 HydrophobicContact CD1-CG 4.17Å; L194-T342 CarbonylContact C-O 3.49Å; L194-T342 WeakPolarHBondContact CA-O 3.34Å; L194-T342 WeakPolarHBondContact CD1-O 3.44Å; L194-I343 HydrophobicContact CD1-CD1 4.43Å; L194-I343 HydrophobicContact CD1-CG1 3.71Å; L194-M364 HydrophobicContact CD1-CE 4.35Å; L194-M364 HydrophobicContact CD1-SD 4.41Å; L194-I412 HydrophobicContact CD2-CD1 4.28Å
195	S	78.7	Confident	69.7	Low	52 Å²	52	71.9 Å²	71.9	36%	0.364	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-21.3	-177.9	59.3	0	0	0	0	116.2	L197 A340 T342	S195-L197 VanDerWaalsContact C-N 3.32Å; S195-A340 PolarHBondContact OG-O 2.64Å; S195-T342 PolarHBondContact N-O 3.45Å; S195-T342 PolarHBondContact OG-N 3.05Å
196	R	69	Low	72.3	Confident	115 Å²	115	61.2 Å²	61.2	43%	0.434	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	21.4	173.5	64.4	178.9	-179.5	-175.5	0.4	114.8	L194 E198	L194-R196 HydrophobicContact CB-CG 4.46Å; L194-R196 HydrophobicContact CD2-CG 3.78Å; L194-R196 VanDerWaalsContact CD2-NE 3.31Å; L194-R196 HydrophobicContact CG-CG 4.13Å; L194-R196 PolarHBondContact O-N 2.97Å; R196-E198 HydrophobicContact CG-CB 4.12Å; R196-E198 IonicContact CZ-OE2 3.55Å; R196-E198 IonicContact NE-OE2 3.94Å; R196-E198 PolarHBondContact NE-OE2 3.49Å; R196-E198 IonicContact NH2-OE1 2.75Å; R196-E198 IonicContact NH2-OE2 3.06Å; R196-E198 PolarHBondContact NH2-OE2 2.89Å; R196-E198 PolarHBondContact O-N 2.79Å
197	L	68.2	Low	74.3	Confident	108 Å²	108	55.5 Å²	55.5	57%	0.565	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	29.2	-178.2	-59.3	169.6	0	0	0	114.5	L111 L194 S195	L111-L197 HydrophobicContact CD1-CD1 4.33Å; L111-L197 HydrophobicContact CD1-CD2 3.66Å; L194-L197 PolarHBondContact O-N 2.73Å; S195-L197 VanDerWaalsContact C-N 3.32Å
198	E	69.3	Low	76.6	Confident	50 Å²	50	46.9 Å²	46.9	23%	0.234	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	123.3	174.3	-175.5	-174.9	-178.3	0	0	109.9	I193 L194 R196 L200	I193-E198 WeakPolarHBondContact CA-O 3.41Å; L194-E198 HydrophobicContact CB-CB 4.23Å; L194-E198 PolarHBondContact N-O 2.88Å; R196-E198 HydrophobicContact CG-CB 4.12Å; R196-E198 IonicContact CZ-OE2 3.55Å; R196-E198 IonicContact NE-OE2 3.94Å; R196-E198 PolarHBondContact NE-OE2 3.49Å; R196-E198 IonicContact NH2-OE1 2.75Å; R196-E198 IonicContact NH2-OE2 3.06Å; R196-E198 PolarHBondContact NH2-OE2 2.89Å; R196-E198 PolarHBondContact O-N 2.79Å; E198-L200 PolarHBondContact O-N 2.99Å
199	K	73.4	Confident	78.2	Confident	128 Å²	128	44.8 Å²	44.8	56%	0.557	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	125.1	174.1	171.1	163	177.7	165.6	0	110.4	T191	T191-K199 HydrophobicContact CG2-CD 3.66Å; T191-K199 VanDerWaalsContact CG2-CE 3.44Å; T191-K199 HydrophobicContact CG2-CG 3.51Å
200	L	77.3	Confident	79.2	Confident	18 Å²	18	43.6 Å²	43.6	9%	0.094	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	130.2	172.4	-65.5	172.5	0	0	0	109.3	L192 L194 E198 I343 I412	L192-L200 HydrophobicContact CB-CB 3.89Å; L192-L200 PolarHBondContact N-O 2.85Å; L192-L200 PolarHBondContact O-N 3.4Å; L194-L200 HydrophobicContact CB-CD1 4.22Å; E198-L200 PolarHBondContact O-N 2.99Å; L200-I343 HydrophobicContact CD1-CD1 3.54Å; L200-I343 HydrophobicContact CD1-CG1 3.82Å; L200-I412 HydrophobicContact CD1-CG2 4.05Å; L200-I412 HydrophobicContact CD2-CG2 4.09Å
201	T	78.9	Confident	79.7	Confident	91 Å²	91	41.7 Å²	41.7	56%	0.558	21%	0.214	S	C	*	.	P	Polyproline II helix	trans	-73.9	145.4	171.7	54.4	0	0	0	0	110.6	R416	T201-R416 VanDerWaalsContact O-CD 3.26Å; T201-R416 WeakPolarHBondContact O-CD 3.31Å; T201-R416 WeakPolarHBondContact O-CG 3.47Å; T201-R416 PolarHBondContact O-NH1 3.07Å
202	L	84.2	Confident	79.9	Confident	65 Å²	65	42.4 Å²	42.4	34%	0.34	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-55.4	147.2	174.3	-65.5	171.9	0	0	0	111.1	L192 T420	L192-L202 HydrophobicContact CD1-CD2 4.04Å; L192-L202 HydrophobicContact CD2-CD2 4.38Å; L192-L202 HydrophobicContact CG-CD2 3.84Å; L202-T420 HydrophobicContact CB-CG2 3.93Å; L202-T420 HydrophobicContact CD2-CG2 3.99Å; L202-T420 HydrophobicContact CG-CG2 4.47Å
203	K	87.1	Confident	79.8	Confident	1 Å²	1	45.9 Å²	45.9	0%	0.004	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-71.5	132.5	179.1	-164.4	72.1	163.6	175.9	0	109.7	F205 E208 A211 E413 T417 T420 Q455	K203-F205 HydrophobicContact CB-CD2 4.46Å; K203-F205 HydrophobicContact CB-CE2 4.05Å; K203-F205 HydrophobicContact CG-CE2 4.31Å; K203-F205 PolarHBondContact O-N 2.88Å; K203-E208 WeakPolarHBondContact CD-OE2 3.44Å; K203-E208 WeakPolarHBondContact CE-OE2 3.35Å; K203-E208 IonicContact NZ-OE2 3.66Å; K203-E208 PolarHBondContact NZ-OE2 2.66Å; K203-A211 HydrophobicContact CG-CB 3.83Å; K203-E413 IonicContact NZ-OE2 3.61Å; K203-E413 PolarHBondContact NZ-OE2 2.75Å; K203-T417 VanDerWaalsContact CE-OG1 3.3Å; K203-T417 WeakPolarHBondContact CE-OG1 3.47Å; K203-T420 HydrophobicContact CB-CG2 4.13Å; K203-T420 WeakPolarHBondContact CB-OG1 3.19Å; K203-T420 PolarHBondContact N-OG1 2.84Å; K203-Q455 PolarHBondContact O-NE2 3.42Å
204	D	83.9	Confident	79.9	Confident	31 Å²	31	43.9 Å²	43.9	17%	0.166	23%	0.225	C	C	.	.			trans	-93.6	95.5	177.4	179.8	-12.9	0	0	0	109.8	A206 S207 E208 Q455 R459 R994	D204-A206 VanDerWaalsContact C-N 3.26Å; D204-A206 PolarHBondContact O-N 2.85Å; D204-A206 WeakPolarHBondContact OD1-CB 3.46Å; D204-A206 PolarHBondContact OD1-N 2.89Å; D204-A206 VanDerWaalsContact OD1-N 3.09Å; D204-S207 PolarHBondContact O-N 3.14Å; D204-S207 PolarHBondContact OD1-N 3.39Å; D204-S207 PolarHBondContact OD1-OG 3.3Å; D204-S207 VanDerWaalsContact OD2-CB 3.29Å; D204-S207 WeakPolarHBondContact OD2-CB 3.39Å; D204-S207 PolarHBondContact OD2-OG 2.69Å; D204-E208 HydrophobicContact CB-CG 4.36Å; D204-E208 WeakPolarHBondContact O-CA 3.49Å; D204-E208 VanDerWaalsContact O-CB 3.22Å; D204-E208 WeakPolarHBondContact O-CB 3.42Å; D204-E208 PolarHBondContact O-N 3.4Å; D204-Q455 PolarHBondContact OD1-OE1 2.77Å; D204-R459 IonicContact OD2-NH2 2.62Å; D204-R994 IonicContact OD2-NH2 3.58Å
205	F	88.9	Confident	80.1	Confident	3 Å²	3	43.8 Å²	43.8	1%	0.013	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-24	177.1	-75.8	-96.7	0	0	0	113.2	K203 A211 I215 T417 T420 I421 A448 L451 A452	K203-F205 HydrophobicContact CB-CD2 4.46Å; K203-F205 HydrophobicContact CB-CE2 4.05Å; K203-F205 HydrophobicContact CG-CE2 4.31Å; K203-F205 PolarHBondContact O-N 2.88Å; F205-A211 HydrophobicContact CB-CB 4.44Å; F205-A211 HydrophobicContact CD1-CB 3.6Å; F205-A211 HydrophobicContact CD2-CB 4.42Å; F205-A211 HydrophobicContact CE1-CB 3.8Å; F205-A211 HydrophobicContact CG-CB 3.91Å; F205-A211 HydrophobicContact CZ-CB 4.29Å; F205-I215 HydrophobicContact CE1-CG1 4.07Å; F205-T417 HydrophobicContact CE1-CG2 4.03Å; F205-T417 HydrophobicContact CZ-CG2 3.66Å; F205-T420 HydrophobicContact CD2-CG2 4.39Å; F205-T420 HydrophobicContact CE2-CG2 3.88Å; F205-I421 HydrophobicContact CE1-CD1 4.05Å; F205-I421 HydrophobicContact CE1-CG1 4.32Å; F205-I421 HydrophobicContact CE2-CG1 4.09Å; F205-I421 HydrophobicContact CZ-CD1 3.65Å; F205-I421 HydrophobicContact CZ-CG1 3.55Å; F205-A448 HydrophobicContact CD1-CB 4.02Å; F205-A448 HydrophobicContact CE1-CB 3.87Å; F205-L451 HydrophobicContact CB-CB 4.28Å; F205-L451 HydrophobicContact CD2-CB 4.08Å; F205-L451 HydrophobicContact CD2-CD1 4.07Å; F205-L451 HydrophobicContact CE2-CD1 3.96Å; F205-L451 HydrophobicContact CG-CB 4.19Å; F205-A452 HydrophobicContact CB-CB 3.96Å
206	A	80.8	Confident	80.5	Confident	18 Å²	18	43.7 Å²	43.7	15%	0.149	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-39.1	177	0	0	0	0	0	112.4	D204 A452 Q455 K1051	D204-A206 VanDerWaalsContact C-N 3.26Å; D204-A206 PolarHBondContact O-N 2.85Å; D204-A206 WeakPolarHBondContact OD1-CB 3.46Å; D204-A206 PolarHBondContact OD1-N 2.89Å; D204-A206 VanDerWaalsContact OD1-N 3.09Å; A206-A452 WeakPolarHBondContact CB-O 3.45Å; A206-Q455 HydrophobicContact CB-CB 3.84Å; A206-K1051 PolarHBondContact O-NZ 3.08Å
207	S	73.4	Confident	81.3	Confident	4 Å²	4	39.7 Å²	39.7	3%	0.028	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-32.2	-172.5	86	0	0	0	0	115.4	D204 V209 R994	D204-S207 PolarHBondContact O-N 3.14Å; D204-S207 PolarHBondContact OD1-N 3.39Å; D204-S207 PolarHBondContact OD1-OG 3.3Å; D204-S207 VanDerWaalsContact OD2-CB 3.29Å; D204-S207 WeakPolarHBondContact OD2-CB 3.39Å; D204-S207 PolarHBondContact OD2-OG 2.69Å; S207-V209 PolarHBondContact O-N 3.17Å; S207-R994 WeakPolarHBondContact O-CA 3.37Å; S207-R994 WeakPolarHBondContact O-CG 3.45Å; S207-R994 PolarHBondContact OG-NE 3.43Å
208	E	80.1	Confident	82.1	Confident	13 Å²	13	34.5 Å²	34.5	6%	0.061	18%	0.179	C	C	.	.			trans	-83.4	110.1	178.2	-62.4	-167.7	-155.3	0	0	110.6	K203 D204 R210 A211 R416 R993 R994	K203-E208 WeakPolarHBondContact CD-OE2 3.44Å; K203-E208 WeakPolarHBondContact CE-OE2 3.35Å; K203-E208 IonicContact NZ-OE2 3.66Å; K203-E208 PolarHBondContact NZ-OE2 2.66Å; D204-E208 HydrophobicContact CB-CG 4.36Å; D204-E208 WeakPolarHBondContact O-CA 3.49Å; D204-E208 VanDerWaalsContact O-CB 3.22Å; D204-E208 WeakPolarHBondContact O-CB 3.42Å; D204-E208 PolarHBondContact O-N 3.4Å; E208-R210 PolarHBondContact O-N 2.99Å; E208-A211 PolarHBondContact O-N 3.5Å; E208-A211 VanDerWaalsContact O-N 3.17Å; E208-R416 IonicContact OE1-CZ 2.8Å; E208-R416 IonicContact OE1-NH1 3.86Å; E208-R416 IonicContact OE1-NH2 3.2Å; E208-R416 PolarHBondContact OE1-NH2 3.26Å; E208-R416 IonicContact OE2-NH2 2.64Å; E208-R416 PolarHBondContact OE2-NH2 2.85Å; E208-R993 HydrophobicContact CG-CB 4.15Å; E208-R994 HydrophobicContact CG-CG 4.5Å
209	V	77.9	Confident	83	Confident	54 Å²	54	34.1 Å²	34.1	33%	0.327	18%	0.178	S	C	.	.	H	α-helix	trans	-57.7	-26.6	179.1	-179	0	0	0	0	111.6	S207 L213 R993 R994	S207-V209 PolarHBondContact O-N 3.17Å; V209-L213 HydrophobicContact CG1-CD1 4.07Å; V209-L213 WeakPolarHBondContact O-CG 3.36Å; V209-R993 PolarHBondContact N-O 2.93Å; V209-R994 VanDerWaalsContact CG2-O 3.31Å; V209-R994 WeakPolarHBondContact CG2-O 3.26Å
210	R	81.6	Confident	83.5	Confident	54 Å²	54	35.6 Å²	35.6	20%	0.204	18%	0.184	C	C	.	.	H	α-helix	trans	-73.3	-29.2	-176.9	-157.5	74.6	-161.3	151.5	3.4	113.9	E208 N212 L213 D214 K409	E208-R210 PolarHBondContact O-N 2.99Å; R210-N212 PolarHBondContact O-N 2.82Å; R210-L213 PolarHBondContact O-N 3.11Å; R210-D214 WeakPolarHBondContact CG-OD2 3.44Å; R210-D214 IonicContact CZ-OD1 3.89Å; R210-D214 IonicContact NE-OD1 3.8Å; R210-D214 IonicContact NH2-OD1 2.93Å; R210-D214 PolarHBondContact O-N 2.81Å; R210-K409 VanDerWaalsContact NH2-CE 3.34Å
211	A	84	Confident	83.9	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58.9	-52.1	-176.1	0	0	0	0	0	111.2	K203 F205 E208 L213 D214 I215 T417	K203-A211 HydrophobicContact CG-CB 3.83Å; F205-A211 HydrophobicContact CB-CB 4.44Å; F205-A211 HydrophobicContact CD1-CB 3.6Å; F205-A211 HydrophobicContact CD2-CB 4.42Å; F205-A211 HydrophobicContact CE1-CB 3.8Å; F205-A211 HydrophobicContact CG-CB 3.91Å; F205-A211 HydrophobicContact CZ-CB 4.29Å; E208-A211 PolarHBondContact O-N 3.5Å; E208-A211 VanDerWaalsContact O-N 3.17Å; A211-L213 PolarHBondContact O-N 3.38Å; A211-D214 PolarHBondContact O-N 3.48Å; A211-I215 PolarHBondContact O-N 3.08Å; A211-T417 HydrophobicContact CB-CG2 4.5Å
212	N	84.7	Confident	84.2	Confident	41 Å²	41	36.7 Å²	36.7	22%	0.219	18%	0.184	C	C	.	.	H	α-helix	trans	-65.7	-36.5	177.1	-64.9	-22	0	0	0	112.5	R210 D214 I215 D216	R210-N212 PolarHBondContact O-N 2.82Å; N212-D214 VanDerWaalsContact C-N 3.34Å; N212-D214 PolarHBondContact O-N 3.02Å; N212-I215 PolarHBondContact O-N 3.33Å; N212-D216 WeakPolarHBondContact O-CB 3.48Å; N212-D216 PolarHBondContact O-N 2.81Å
213	L	85	Confident	84.5	Confident	74 Å²	74	34.4 Å²	34.4	39%	0.387	17%	0.173	S	C	.	.	H	α-helix	trans	-66.8	-33.2	178.5	-71.7	174.7	0	0	0	113.4	V209 R210 A211 M217	V209-L213 HydrophobicContact CG1-CD1 4.07Å; V209-L213 WeakPolarHBondContact O-CG 3.36Å; R210-L213 PolarHBondContact O-N 3.11Å; A211-L213 PolarHBondContact O-N 3.38Å; L213-M217 WeakPolarHBondContact O-CB 3.29Å; L213-M217 PolarHBondContact O-N 3.49Å
214	D	86.2	Confident	84.7	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-74.1	-33.5	176.9	-72.7	-33.2	0	0	0	110.8	R210 A211 N212 M217 F218 R373 T417	R210-D214 WeakPolarHBondContact CG-OD2 3.44Å; R210-D214 IonicContact CZ-OD1 3.89Å; R210-D214 IonicContact NE-OD1 3.8Å; R210-D214 IonicContact NH2-OD1 2.93Å; R210-D214 PolarHBondContact O-N 2.81Å; A211-D214 PolarHBondContact O-N 3.48Å; N212-D214 VanDerWaalsContact C-N 3.34Å; N212-D214 PolarHBondContact O-N 3.02Å; D214-M217 PolarHBondContact O-N 3Å; D214-F218 WeakPolarHBondContact O-CB 3.49Å; D214-F218 PolarHBondContact O-N 3.48Å; D214-R373 IonicContact OD1-CZ 3.02Å; D214-R373 IonicContact OD1-NH1 3.37Å; D214-R373 PolarHBondContact OD1-NH1 3.48Å; D214-R373 IonicContact OD1-NH2 2.8Å; D214-R373 PolarHBondContact OD1-NH2 3.37Å; D214-T417 HydrophobicContact CB-CG2 4.49Å
215	I	88.8	Confident	85	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-68.6	-44.6	170.5	-59.3	-57.3	0	0	0	111.8	F205 A211 N212 M217 F218 I219 T417 F418 I421 W445 A448	F205-I215 HydrophobicContact CE1-CG1 4.07Å; A211-I215 PolarHBondContact O-N 3.08Å; N212-I215 PolarHBondContact O-N 3.33Å; I215-M217 VanDerWaalsContact C-N 3.26Å; I215-M217 PolarHBondContact O-N 2.95Å; I215-F218 WeakPolarHBondContact O-CB 3.32Å; I215-F218 PolarHBondContact O-N 3.06Å; I215-F218 VanDerWaalsContact O-N 3.11Å; I215-I219 HydrophobicContact CG2-CD1 3.78Å; I215-I219 HydrophobicContact CG2-CG1 4.35Å; I215-I219 WeakPolarHBondContact O-CG1 3.35Å; I215-I219 PolarHBondContact O-N 3.22Å; I215-T417 HydrophobicContact CD1-CG2 4.14Å; I215-T417 HydrophobicContact CG1-CG2 4.28Å; I215-F418 HydrophobicContact CD1-CE1 4Å; I215-F418 HydrophobicContact CD1-CZ 4.03Å; I215-I421 HydrophobicContact CD1-CD1 3.3Å; I215-I421 HydrophobicContact CG1-CD1 3.96Å; I215-W445 HydrophobicContact CG2-CE3 3.98Å; I215-A448 HydrophobicContact CG1-CB 4.14Å; I215-A448 HydrophobicContact CG2-CB 4.28Å
216	D	87	Confident	85	Confident	49 Å²	49	37.8 Å²	37.8	26%	0.262	19%	0.191	S	C	.	.	H	α-helix	trans	-55	-42.5	173.4	-92.1	-37.8	0	0	0	112.2	N212 K220 W445	N212-D216 WeakPolarHBondContact O-CB 3.48Å; N212-D216 PolarHBondContact O-N 2.81Å; D216-K220 WeakPolarHBondContact O-CD 3.1Å; D216-K220 VanDerWaalsContact O-CG 3.29Å; D216-K220 WeakPolarHBondContact O-CG 3.48Å; D216-K220 PolarHBondContact O-N 3.48Å; D216-W445 WeakPolarHBondContact OD1-CH2 3.48Å; D216-W445 WeakPolarHBondContact OD1-CZ3 3.49Å
217	M	86.2	Confident	85.3	Confident	31 Å²	31	40.7 Å²	40.7	15%	0.153	20%	0.204	C	C	.	.	H	α-helix	trans	-69.5	-41.9	177.4	-178.1	-167.3	60.5	0	0	111.1	L213 D214 I215 K220 E221 R373 L375	L213-M217 WeakPolarHBondContact O-CB 3.29Å; L213-M217 PolarHBondContact O-N 3.49Å; D214-M217 PolarHBondContact O-N 3Å; I215-M217 VanDerWaalsContact C-N 3.26Å; I215-M217 PolarHBondContact O-N 2.95Å; M217-K220 PolarHBondContact O-N 3.46Å; M217-E221 PolarHBondContact O-N 3.38Å; M217-R373 VanDerWaalsContact CE-CZ 3.45Å; M217-R373 PolarHBondContact SD-NH2 3.08Å; M217-L375 HydrophobicContact CE-CD1 3.38Å; M217-L375 HydrophobicContact CE-CD2 4.41Å
218	F	86.2	Confident	86	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.4	-48.5	177	-179.2	-84.9	0	0	0	111.4	D214 I215 K220 E221 A222 L224 L375 L377 F418 L444	D214-F218 WeakPolarHBondContact O-CB 3.49Å; D214-F218 PolarHBondContact O-N 3.48Å; I215-F218 WeakPolarHBondContact O-CB 3.32Å; I215-F218 PolarHBondContact O-N 3.06Å; I215-F218 VanDerWaalsContact O-N 3.11Å; F218-K220 PolarHBondContact O-N 2.63Å; F218-K220 VanDerWaalsContact O-N 3.12Å; F218-E221 PolarHBondContact O-N 2.99Å; F218-A222 HydrophobicContact CB-CB 4.33Å; F218-A222 HydrophobicContact CD1-CB 3.82Å; F218-A222 HydrophobicContact CD2-CB 3.33Å; F218-A222 HydrophobicContact CE1-CB 3.83Å; F218-A222 HydrophobicContact CE2-CB 3.38Å; F218-A222 HydrophobicContact CG-CB 3.56Å; F218-A222 HydrophobicContact CZ-CB 3.63Å; F218-A222 WeakPolarHBondContact O-CA 3.44Å; F218-A222 WeakPolarHBondContact O-CB 3.38Å; F218-A222 PolarHBondContact O-N 3.48Å; F218-L224 HydrophobicContact CE1-CD2 4.35Å; F218-L224 HydrophobicContact CZ-CD2 4.09Å; F218-L375 HydrophobicContact CD2-CB 3.73Å; F218-L375 HydrophobicContact CD2-CD2 3.78Å; F218-L375 HydrophobicContact CD2-CG 4.38Å; F218-L375 HydrophobicContact CE2-CB 4.09Å; F218-L377 HydrophobicContact CE2-CB 4.25Å; F218-L377 HydrophobicContact CZ-CB 3.81Å; F218-L377 HydrophobicContact CZ-CD1 4.34Å; F218-F418 HydrophobicContact CB-CE1 4.4Å; F218-F418 HydrophobicContact CB-CZ 3.72Å; F218-F418 HydrophobicContact CD1-CE1 4.29Å; F218-F418 HydrophobicContact CD1-CZ 4.41Å; F218-F418 AromaticContact CD2-CE1 3.56Å; F218-F418 HydrophobicContact CD2-CE1 3.56Å; F218-F418 HydrophobicContact CD2-CE2 4.19Å; F218-F418 AromaticContact CD2-CZ 3.23Å; F218-F418 HydrophobicContact CD2-CZ 3.23Å; F218-F418 AromaticContact CE2-CE1 3.82Å; F218-F418 HydrophobicContact CE2-CE1 3.82Å; F218-F418 AromaticContact CE2-CZ 3.92Å; F218-F418 HydrophobicContact CE2-CZ 3.92Å; F218-F418 AromaticContact CG-CE1 3.82Å; F218-F418 HydrophobicContact CG-CE1 3.82Å; F218-F418 AromaticContact CG-CZ 3.53Å; F218-F418 HydrophobicContact CG-CZ 3.53Å; F218-F418 HydrophobicContact CZ-CE1 4.31Å; F218-L444 HydrophobicContact CD1-CD1 3.92Å; F218-L444 HydrophobicContact CE1-CD1 3.35Å; F218-L444 HydrophobicContact CZ-CD1 4.11Å
219	I	87.5	Confident	86.3	Confident	42 Å²	42	46.4 Å²	46.4	22%	0.215	24%	0.235	C	C	.	.	H	α-helix	trans	-58.3	-32.5	179.6	-68.4	165.4	0	0	0	111.8	I215 K441 W445	I215-I219 HydrophobicContact CG2-CD1 3.78Å; I215-I219 HydrophobicContact CG2-CG1 4.35Å; I215-I219 WeakPolarHBondContact O-CG1 3.35Å; I215-I219 PolarHBondContact O-N 3.22Å; I219-K441 HydrophobicContact CG2-CB 4.39Å; I219-K441 HydrophobicContact CG2-CD 4.4Å; I219-K441 HydrophobicContact CG2-CG 4.46Å; I219-K441 WeakPolarHBondContact O-CE 3.37Å; I219-K441 PolarHBondContact O-NZ 3.02Å; I219-W445 HydrophobicContact CD1-CB 3.77Å; I219-W445 HydrophobicContact CD1-CD2 4.05Å; I219-W445 HydrophobicContact CD1-CE3 3.43Å; I219-W445 VanDerWaalsContact CD1-CE3 3.43Å; I219-W445 HydrophobicContact CD1-CG 4.23Å; I219-W445 HydrophobicContact CD1-CZ3 4.29Å
220	K	84.6	Confident	86.4	Confident	158 Å²	158	45 Å²	45	69%	0.687	23%	0.231	S	C	*	.	H	α-helix	trans	-82.5	-40	-178.6	-71.3	171	-173.6	168	0	114.2	D216 M217 F218	D216-K220 WeakPolarHBondContact O-CD 3.1Å; D216-K220 VanDerWaalsContact O-CG 3.29Å; D216-K220 WeakPolarHBondContact O-CG 3.48Å; D216-K220 PolarHBondContact O-N 3.48Å; M217-K220 PolarHBondContact O-N 3.46Å; F218-K220 PolarHBondContact O-N 2.63Å; F218-K220 VanDerWaalsContact O-N 3.12Å
221	E	84.9	Confident	86.4	Confident	122 Å²	122	47.1 Å²	47.1	57%	0.57	25%	0.254	S	S	*	.	H	α-helix	trans	-126.6	-3.9	-165	-63.3	-177.7	-170.9	0	0	114.5	M217 F218	M217-E221 PolarHBondContact O-N 3.38Å; F218-E221 PolarHBondContact O-N 2.99Å
222	A	85.1	Confident	86.6	Confident	10 Å²	10	50 Å²	50	8%	0.083	27%	0.272	C	S	.	.			trans	-73.1	149.8	-176.9	0	0	0	0	0	112.7	F218 L375	F218-A222 HydrophobicContact CB-CB 4.33Å; F218-A222 HydrophobicContact CD1-CB 3.82Å; F218-A222 HydrophobicContact CD2-CB 3.33Å; F218-A222 HydrophobicContact CE1-CB 3.83Å; F218-A222 HydrophobicContact CE2-CB 3.38Å; F218-A222 HydrophobicContact CG-CB 3.56Å; F218-A222 HydrophobicContact CZ-CB 3.63Å; F218-A222 WeakPolarHBondContact O-CA 3.44Å; F218-A222 WeakPolarHBondContact O-CB 3.38Å; F218-A222 PolarHBondContact O-N 3.48Å; A222-L375 WeakPolarHBondContact CA-O 3.4Å; A222-L375 HydrophobicContact CB-CB 4.34Å
223	T	89.7	Confident	86.7	Confident	17 Å²	17	49.3 Å²	49.3	10%	0.104	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	126	170.9	48.9	0	0	0	0	109.2	I244 L375 A376 L377	T223-I244 WeakPolarHBondContact OG1-CG1 3.5Å; T223-L375 PolarHBondContact N-O 2.83Å; T223-L375 PolarHBondContact OG1-O 3.1Å; T223-L375 VanDerWaalsContact OG1-O 3.12Å; T223-A376 CarbonylContact O-C 3.53Å; T223-A376 WeakPolarHBondContact O-CA 3.46Å; T223-A376 WeakPolarHBondContact OG1-CA 3.32Å; T223-A376 WeakPolarHBondContact OG1-CB 3.01Å; T223-L377 PolarHBondContact O-N 2.93Å
224	L	91.6	Very high	86.8	Confident	22 Å²	22	49.4 Å²	49.4	12%	0.115	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	119.7	-178.3	-79.2	159.7	0	0	0	108.2	F218 L377 E437 V440 K441	F218-L224 HydrophobicContact CE1-CD2 4.35Å; F218-L224 HydrophobicContact CZ-CD2 4.09Å; L224-L377 WeakPolarHBondContact CA-O 3.37Å; L224-L377 HydrophobicContact CD2-CB 3.83Å; L224-L377 HydrophobicContact CD2-CD2 3.83Å; L224-L377 HydrophobicContact CD2-CG 4.31Å; L224-E437 HydrophobicContact CB-CG 3.71Å; L224-E437 HydrophobicContact CD1-CG 3.27Å; L224-E437 HydrophobicContact CG-CG 4.09Å; L224-V440 HydrophobicContact CD1-CG1 4.45Å; L224-V440 HydrophobicContact CD2-CG1 3.79Å; L224-K441 HydrophobicContact CD1-CD 4.21Å; L224-K441 HydrophobicContact CD1-CG 3.82Å
225	L	91.2	Very high	87	Confident	38 Å²	38	53.3 Å²	53.3	20%	0.199	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	94.7	177.8	-65.3	172.4	0	0	0	107.4	M240 A243 L377 A378 R379	L225-M240 HydrophobicContact CD1-CB 4.38Å; L225-M240 HydrophobicContact CD1-CG 3.94Å; L225-A243 HydrophobicContact CD1-CB 3.9Å; L225-A243 HydrophobicContact CD2-CB 3.8Å; L225-A243 HydrophobicContact CG-CB 4.21Å; L225-L377 PolarHBondContact N-O 2.58Å; L225-A378 HydrophobicContact CB-CB 4.16Å; L225-A378 CarbonylContact O-C 3.35Å; L225-A378 WeakPolarHBondContact O-CA 3.5Å; L225-R379 PolarHBondContact O-N 2.74Å
226	L	88.3	Confident	87.1	Confident	46 Å²	46	53.3 Å²	53.3	24%	0.241	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	132.2	174.6	-53.1	-177.8	0	0	0	107.8	V440	L226-V440 HydrophobicContact CD2-CG2 4Å
227	D	86.8	Confident	87.3	Confident	79 Å²	79	51 Å²	51	42%	0.422	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	62.5	47.4	175.9	-46.8	-37.4	0	0	0	113.6	D229 R379	D227-D229 PolarHBondContact O-N 3.24Å; D227-R379 WeakPolarHBondContact CA-O 3.44Å; D227-R379 VanDerWaalsContact CG-NH2 3.34Å; D227-R379 PolarHBondContact N-O 3.46Å; D227-R379 VanDerWaalsContact N-O 3.07Å; D227-R379 IonicContact OD1-CZ 3.25Å; D227-R379 VanDerWaalsContact OD1-CZ 3.25Å; D227-R379 IonicContact OD1-NE 2.91Å; D227-R379 PolarHBondContact OD1-NE 3.06Å; D227-R379 IonicContact OD1-NH2 2.8Å; D227-R379 PolarHBondContact OD1-NH2 2.75Å; D227-R379 IonicContact OD2-NH2 3.14Å; D227-R379 PolarHBondContact OD2-NH2 3.13Å; D227-R379 VanDerWaalsContact OD2-NH2 3.14Å
228	L	89.4	Confident	87.6	Confident	23 Å²	23	51.5 Å²	51.5	12%	0.12	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	120.7	174.8	-177.2	68.3	0	0	0	110.4	I236 M240 A378 R379 L380 N381	L228-I236 HydrophobicContact CD2-CG2 3.94Å; L228-M240 HydrophobicContact CD2-CG 4.15Å; L228-A378 HydrophobicContact CD2-CB 4.01Å; L228-R379 PolarHBondContact N-O 3.44Å; L228-L380 HydrophobicContact CB-CD2 4.19Å; L228-L380 HydrophobicContact CD2-CD2 4.05Å; L228-L380 HydrophobicContact CG-CD2 4.37Å; L228-L380 WeakPolarHBondContact O-CA 3.36Å; L228-N381 PolarHBondContact O-N 2.84Å; L228-N381 VanDerWaalsContact O-N 3.16Å
229	D	85.9	Confident	87.8	Confident	115 Å²	115	53.5 Å²	53.5	62%	0.615	30%	0.296	S	S	*	.			trans	-83.2	122.2	171.5	-70.8	-36.1	0	0	0	110.2	D227 N381	D227-D229 PolarHBondContact O-N 3.24Å; D229-N381 WeakPolarHBondContact OD1-CB 3.2Å; D229-N381 PolarHBondContact OD1-ND2 3.39Å
230	G	80.4	Confident	88	Confident	25 Å²	25	51.5 Å²	51.5	26%	0.258	29%	0.285	S	S	.	.			trans	-171.5	134.2	174.8	0	0	0	0	0	110.9	V384	G230-V384 WeakPolarHBondContact O-CG2 2.96Å
231	S	81.6	Confident	88.4	Confident	98 Å²	98	44.2 Å²	44.2	69%	0.685	25%	0.254	S	S	*	.	S	Bend	trans	-103.1	-22.8	179	58	0	0	0	0	112.7
232	T	86.9	Confident	88.6	Confident	60 Å²	60	43.6 Å²	43.6	37%	0.368	25%	0.251	S	S	.	.	S	Bend	trans	-112.7	148.7	178.4	80.5	0	0	0	0	111.1	E234 D235 I236	T232-E234 PolarHBondContact O-N 3.5Å; T232-D235 PolarHBondContact O-N 3.46Å; T232-D235 PolarHBondContact OG1-N 3.07Å; T232-D235 PolarHBondContact OG1-OD2 3.12Å; T232-I236 WeakPolarHBondContact O-CD1 3.39Å; T232-I236 VanDerWaalsContact O-CG1 3.28Å; T232-I236 WeakPolarHBondContact O-CG1 3.44Å; T232-I236 PolarHBondContact O-N 3.46Å
233	L	87.5	Confident	88.8	Confident	27 Å²	27	44.2 Å²	44.2	14%	0.141	26%	0.256	C	S	.	.	H	α-helix	trans	-57.3	-36.1	175.3	178.6	64.1	0	0	0	111.9	I237 M326 L339 F386	L233-I237 HydrophobicContact CD1-CG1 4.06Å; L233-I237 HydrophobicContact CG-CG1 4.43Å; L233-I237 WeakPolarHBondContact O-CB 3.35Å; L233-I237 VanDerWaalsContact O-CG1 3.23Å; L233-I237 WeakPolarHBondContact O-CG1 3.33Å; L233-I237 PolarHBondContact O-N 3.48Å; L233-M326 HydrophobicContact CD2-CE 3.71Å; L233-M326 HydrophobicContact CD2-SD 4Å; L233-M326 HydrophobicContact CG-CE 3.89Å; L233-M326 HydrophobicContact CG-SD 4.15Å; L233-L339 HydrophobicContact CD1-CD1 4.17Å; L233-L339 HydrophobicContact CD1-CD2 4.23Å; L233-L339 HydrophobicContact CD1-CG 4.12Å; L233-L339 HydrophobicContact CD2-CD2 4.45Å; L233-L339 HydrophobicContact CD2-CG 4.09Å; L233-F386 HydrophobicContact CB-CD1 3.94Å; L233-F386 HydrophobicContact CB-CE1 3.79Å; L233-F386 HydrophobicContact CD1-CD1 3.93Å; L233-F386 HydrophobicContact CD1-CE1 3.68Å; L233-F386 HydrophobicContact CD1-CE2 4.41Å; L233-F386 HydrophobicContact CD1-CG 4.41Å; L233-F386 HydrophobicContact CD1-CZ 3.94Å; L233-F386 HydrophobicContact CG-CD1 4.41Å; L233-F386 HydrophobicContact CG-CE1 4.33Å
234	E	87.8	Confident	88.7	Confident	75 Å²	75	43.6 Å²	43.6	35%	0.35	25%	0.252	S	S	.	.	H	α-helix	trans	-69.5	-41.9	-177.2	-171.7	168.8	179.5	0	0	112.2	T232 S238 K322	T232-E234 PolarHBondContact O-N 3.5Å; E234-S238 VanDerWaalsContact O-CB 3.31Å; E234-S238 WeakPolarHBondContact O-CB 3.21Å; E234-S238 PolarHBondContact O-N 3.01Å; E234-S238 PolarHBondContact O-OG 2.87Å; E234-K322 VanDerWaalsContact OE1-CE 3.22Å; E234-K322 WeakPolarHBondContact OE1-CE 3.39Å; E234-K322 IonicContact OE1-NZ 3.47Å; E234-K322 PolarHBondContact OE1-NZ 3.34Å
235	D	89.5	Confident	88.5	Confident	82 Å²	82	43 Å²	43	44%	0.439	25%	0.248	S	C	.	.	H	α-helix	trans	-64.7	-47.6	177	-61	-33.7	0	0	0	110.3	T232 I237 S238 S239	T232-D235 PolarHBondContact O-N 3.46Å; T232-D235 PolarHBondContact OG1-N 3.07Å; T232-D235 PolarHBondContact OG1-OD2 3.12Å; D235-I237 PolarHBondContact O-N 3.07Å; D235-S238 PolarHBondContact O-N 3.34Å; D235-S238 VanDerWaalsContact O-N 3.15Å; D235-S239 PolarHBondContact O-N 3.24Å; D235-S239 PolarHBondContact O-OG 2.69Å
236	I	91.2	Very high	88	Confident	0 Å²	0	45 Å²	45	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-57.6	-50.4	179.4	-68.5	167.1	0	0	0	111.2	L228 T232 S238 S239 M240 L380 V384 F386 I396	L228-I236 HydrophobicContact CD2-CG2 3.94Å; T232-I236 WeakPolarHBondContact O-CD1 3.39Å; T232-I236 VanDerWaalsContact O-CG1 3.28Å; T232-I236 WeakPolarHBondContact O-CG1 3.44Å; T232-I236 PolarHBondContact O-N 3.46Å; I236-S238 VanDerWaalsContact C-N 3.31Å; I236-S238 PolarHBondContact O-N 2.87Å; I236-S239 PolarHBondContact O-N 3.2Å; I236-M240 HydrophobicContact CG2-SD 4.28Å; I236-M240 VanDerWaalsContact O-CG 3.29Å; I236-M240 WeakPolarHBondContact O-CG 3.44Å; I236-M240 PolarHBondContact O-N 3.13Å; I236-L380 HydrophobicContact CD1-CD1 3.96Å; I236-L380 HydrophobicContact CD1-CD2 3.97Å; I236-L380 HydrophobicContact CG1-CD2 4.17Å; I236-L380 HydrophobicContact CG2-CD2 4.08Å; I236-V384 HydrophobicContact CD1-CB 4.47Å; I236-V384 HydrophobicContact CD1-CG1 4.37Å; I236-V384 HydrophobicContact CD1-CG2 4.15Å; I236-F386 HydrophobicContact CD1-CE1 4.01Å; I236-F386 HydrophobicContact CD1-CZ 3.74Å; I236-I396 HydrophobicContact CG2-CD1 3.49Å; I236-I396 VanDerWaalsContact CG2-CD1 3.49Å
237	I	91.6	Very high	86.7	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-64.4	-38.6	179.3	-66.8	-66	0	0	0	110.8	L233 D235 M240 L241 L325 M326 L339	L233-I237 HydrophobicContact CD1-CG1 4.06Å; L233-I237 HydrophobicContact CG-CG1 4.43Å; L233-I237 WeakPolarHBondContact O-CB 3.35Å; L233-I237 VanDerWaalsContact O-CG1 3.23Å; L233-I237 WeakPolarHBondContact O-CG1 3.33Å; L233-I237 PolarHBondContact O-N 3.48Å; D235-I237 PolarHBondContact O-N 3.07Å; I237-M240 PolarHBondContact O-N 3.27Å; I237-L241 HydrophobicContact CG2-CD1 3.88Å; I237-L241 HydrophobicContact CG2-CG 4.25Å; I237-L241 WeakPolarHBondContact O-CB 3.25Å; I237-L241 VanDerWaalsContact O-CG 3.23Å; I237-L241 WeakPolarHBondContact O-CG 3.24Å; I237-L241 PolarHBondContact O-N 3.06Å; I237-L325 HydrophobicContact CG2-CD1 4.12Å; I237-M326 HydrophobicContact CG1-SD 4.46Å; I237-L339 HydrophobicContact CD1-CD2 4.12Å; I237-L339 HydrophobicContact CG1-CD2 4.39Å
238	S	91.1	Very high	84.8	Confident	42 Å²	42	50.9 Å²	50.9	29%	0.294	28%	0.281	S	S	.	.	H	α-helix	trans	-64	-45.4	178.8	-57.7	0	0	0	0	111.3	E234 D235 I236 M240 L241 E242	E234-S238 VanDerWaalsContact O-CB 3.31Å; E234-S238 WeakPolarHBondContact O-CB 3.21Å; E234-S238 PolarHBondContact O-N 3.01Å; E234-S238 PolarHBondContact O-OG 2.87Å; D235-S238 PolarHBondContact O-N 3.34Å; D235-S238 VanDerWaalsContact O-N 3.15Å; I236-S238 VanDerWaalsContact C-N 3.31Å; I236-S238 PolarHBondContact O-N 2.87Å; S238-M240 PolarHBondContact O-N 3.39Å; S238-L241 PolarHBondContact O-N 2.93Å; S238-E242 PolarHBondContact O-N 2.67Å
239	S	91.3	Very high	82.2	Confident	42 Å²	42	55 Å²	55	29%	0.294	31%	0.309	S	S	.	.	H	α-helix	trans	-63.4	-40	175.5	-59.1	0	0	0	0	112.7	D235 I236 E242 A243	D235-S239 PolarHBondContact O-N 3.24Å; D235-S239 PolarHBondContact O-OG 2.69Å; I236-S239 PolarHBondContact O-N 3.2Å; S239-E242 PolarHBondContact O-N 3.48Å; S239-A243 PolarHBondContact O-N 2.92Å; S239-A243 VanDerWaalsContact O-N 3.1Å
240	M	92.4	Very high	79.5	Confident	0 Å²	0	57 Å²	57	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-62.4	-43.6	174.2	-70.3	-176.2	79.5	0	0	111.8	L225 L228 I236 I237 S238 A243 I244 A376 A378 I396 L398	L225-M240 HydrophobicContact CD1-CB 4.38Å; L225-M240 HydrophobicContact CD1-CG 3.94Å; L228-M240 HydrophobicContact CD2-CG 4.15Å; I236-M240 HydrophobicContact CG2-SD 4.28Å; I236-M240 VanDerWaalsContact O-CG 3.29Å; I236-M240 WeakPolarHBondContact O-CG 3.44Å; I236-M240 PolarHBondContact O-N 3.13Å; I237-M240 PolarHBondContact O-N 3.27Å; S238-M240 PolarHBondContact O-N 3.39Å; M240-A243 PolarHBondContact O-N 3.1Å; M240-I244 WeakPolarHBondContact O-CB 3.43Å; M240-I244 WeakPolarHBondContact O-CD1 3.38Å; M240-I244 WeakPolarHBondContact O-CG1 3.46Å; M240-I244 PolarHBondContact O-N 2.8Å; M240-A376 HydrophobicContact CE-CB 3.77Å; M240-A378 HydrophobicContact CE-CB 3.7Å; M240-A378 HydrophobicContact CG-CB 4.05Å; M240-A378 HydrophobicContact SD-CB 3.76Å; M240-I396 HydrophobicContact CE-CG2 4.16Å; M240-I396 HydrophobicContact SD-CB 4.25Å; M240-I396 HydrophobicContact SD-CG2 3.85Å; M240-L398 HydrophobicContact CB-CD2 4.04Å; M240-L398 HydrophobicContact CE-CB 3.48Å; M240-L398 VanDerWaalsContact CE-CB 3.48Å; M240-L398 HydrophobicContact CE-CD2 4.3Å; M240-L398 HydrophobicContact SD-CB 4.44Å
241	L	91.7	Very high	77.1	Confident	4 Å²	4	61.5 Å²	61.5	2%	0.021	34%	0.34	C	S	.	.	H	α-helix	trans	-67.2	-35.8	178.7	-69.4	174.2	0	0	0	112.3	I237 S238 I244 F245 A321 K322 L325 L398 I400	I237-L241 HydrophobicContact CG2-CD1 3.88Å; I237-L241 HydrophobicContact CG2-CG 4.25Å; I237-L241 WeakPolarHBondContact O-CB 3.25Å; I237-L241 VanDerWaalsContact O-CG 3.23Å; I237-L241 WeakPolarHBondContact O-CG 3.24Å; I237-L241 PolarHBondContact O-N 3.06Å; S238-L241 PolarHBondContact O-N 2.93Å; L241-I244 PolarHBondContact O-N 3.27Å; L241-F245 HydrophobicContact CD2-CE2 4.04Å; L241-F245 VanDerWaalsContact O-CD2 3.23Å; L241-F245 WeakPolarHBondContact O-CD2 3.43Å; L241-F245 PolarHBondContact O-N 3.48Å; L241-F245 VanDerWaalsContact O-N 3.16Å; L241-A321 HydrophobicContact CD1-CB 4.04Å; L241-A321 HydrophobicContact CD2-CB 3.65Å; L241-K322 HydrophobicContact CD1-CB 4.05Å; L241-L325 HydrophobicContact CD2-CD1 4.21Å; L241-L398 HydrophobicContact CD2-CD2 4.11Å; L241-I400 HydrophobicContact CD2-CD1 3.65Å
242	E	90.1	Very high	74.5	Confident	110 Å²	110	64.6 Å²	64.6	51%	0.514	35%	0.349	S	S	.	.	H	α-helix	trans	-60.1	-52.1	173.9	-163.9	171.5	-172.8	0	0	110.9	S238 S239 I244 F245 D246	S238-E242 PolarHBondContact O-N 2.67Å; S239-E242 PolarHBondContact O-N 3.48Å; E242-I244 VanDerWaalsContact C-N 3.3Å; E242-I244 PolarHBondContact O-N 2.86Å; E242-F245 PolarHBondContact O-N 2.81Å; E242-D246 WeakPolarHBondContact CG-OD2 3.4Å; E242-D246 WeakPolarHBondContact O-CB 3.47Å; E242-D246 PolarHBondContact O-N 3.12Å
243	A	88.8	Confident	71.6	Confident	22 Å²	22	67.3 Å²	67.3	18%	0.182	37%	0.366	C	S	.	.	H	α-helix	trans	-61	-35.6	177.9	0	0	0	0	0	113.8	L225 S239 M240 N247	L225-A243 HydrophobicContact CD1-CB 3.9Å; L225-A243 HydrophobicContact CD2-CB 3.8Å; L225-A243 HydrophobicContact CG-CB 4.21Å; S239-A243 PolarHBondContact O-N 2.92Å; S239-A243 VanDerWaalsContact O-N 3.1Å; M240-A243 PolarHBondContact O-N 3.1Å; A243-N247 PolarHBondContact O-ND2 3.16Å; A243-N247 VanDerWaalsContact O-ND2 3.12Å
244	I	88.6	Confident	68.7	Low	4 Å²	4	70.8 Å²	70.8	2%	0.021	40%	0.399	C	S	.	.	H	α-helix	trans	-66.9	-46.1	179.1	-74.4	166.3	0	0	0	111.8	T223 M240 L241 E242 Y374 A376 L398 I400	T223-I244 WeakPolarHBondContact OG1-CG1 3.5Å; M240-I244 WeakPolarHBondContact O-CB 3.43Å; M240-I244 WeakPolarHBondContact O-CD1 3.38Å; M240-I244 WeakPolarHBondContact O-CG1 3.46Å; M240-I244 PolarHBondContact O-N 2.8Å; L241-I244 PolarHBondContact O-N 3.27Å; E242-I244 VanDerWaalsContact C-N 3.3Å; E242-I244 PolarHBondContact O-N 2.86Å; I244-Y374 HydrophobicContact CG2-CD1 3.55Å; I244-Y374 HydrophobicContact CG2-CD2 4.42Å; I244-Y374 HydrophobicContact CG2-CE1 4.28Å; I244-Y374 HydrophobicContact CG2-CG 3.61Å; I244-A376 HydrophobicContact CD1-CB 3.71Å; I244-A376 HydrophobicContact CG1-CB 3.86Å; I244-L398 HydrophobicContact CD1-CD2 3.67Å; I244-L398 HydrophobicContact CD1-CG 4.28Å; I244-I400 HydrophobicContact CD1-CD1 3.98Å; I244-I400 HydrophobicContact CG2-CD1 4.49Å
245	F	86	Confident	65.8	Low	11 Å²	11	72.9 Å²	72.9	5%	0.048	42%	0.417	C	S	.	.	H	α-helix	trans	-92.9	-23.8	-170.2	-68.3	-60.5	0	0	0	114.2	L241 E242 I314 M317 K318 A321 I370 Y374 I400	L241-F245 HydrophobicContact CD2-CE2 4.04Å; L241-F245 VanDerWaalsContact O-CD2 3.23Å; L241-F245 WeakPolarHBondContact O-CD2 3.43Å; L241-F245 PolarHBondContact O-N 3.48Å; L241-F245 VanDerWaalsContact O-N 3.16Å; E242-F245 PolarHBondContact O-N 2.81Å; F245-I314 HydrophobicContact CB-CG2 4.09Å; F245-M317 HydrophobicContact CE1-CB 4.47Å; F245-M317 HydrophobicContact CZ-CB 4.35Å; F245-K318 HydrophobicContact CD2-CG 3.6Å; F245-K318 HydrophobicContact CE2-CG 4.22Å; F245-K318 HydrophobicContact CG-CG 4.42Å; F245-A321 HydrophobicContact CE2-CB 4.25Å; F245-I370 HydrophobicContact CE1-CG2 4.12Å; F245-I370 HydrophobicContact CZ-CG2 4.47Å; F245-Y374 HydrophobicContact CE1-CD2 4.32Å; F245-Y374 HydrophobicContact CE1-CE2 4.04Å; F245-I400 HydrophobicContact CZ-CD1 4.34Å
246	D	81.8	Confident	62.7	Low	78 Å²	78	74.4 Å²	74.4	42%	0.417	43%	0.433	S	S	.	.	H	α-helix	trans	-84.4	-17	-177.7	-67.8	-33.9	0	0	0	113.6	E242 R248 K318	E242-D246 WeakPolarHBondContact CG-OD2 3.4Å; E242-D246 WeakPolarHBondContact O-CB 3.47Å; E242-D246 PolarHBondContact O-N 3.12Å; D246-R248 PolarHBondContact O-N 3.44Å; D246-K318 IonicContact OD1-NZ 2.95Å; D246-K318 PolarHBondContact OD1-NZ 3.44Å; D246-K318 IonicContact OD2-NZ 3.4Å; D246-K318 PolarHBondContact OD2-NZ 3.37Å
247	N	60.4	Low	59.6	Low	115 Å²	115	80.6 Å²	80.6	62%	0.615	47%	0.472	S	S	*	.			trans	-70.5	70.6	170.3	-86.4	-34.5	0	0	0	112.1	A243	A243-N247 PolarHBondContact O-ND2 3.16Å; A243-N247 VanDerWaalsContact O-ND2 3.12Å
248	R	45.8	Very low	56.3	Low	135 Å²	135	86.4 Å²	86.4	51%	0.509	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-81.8	129.8	168.9	-75.2	-169.1	-177.8	178.4	4.2	110.5	D246 I250 S310	D246-R248 PolarHBondContact O-N 3.44Å; R248-I250 PolarHBondContact O-N 3Å; R248-S310 PolarHBondContact NH2-O 2.94Å; R248-S310 VanDerWaalsContact NH2-O 3.15Å
249	P	35.3	Very low	53.3	Low	110 Å²	110	91 Å²	91	71%	0.714	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-66.9	122.9	163.2	28.2	-29.3	0	0	0	108.1	V251	P249-V251 PolarHBondContact O-N 2.9Å
250	I	30.2	Very low	50.1	Low	155 Å²	155	95.8 Å²	95.8	80%	0.795	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-60.2	119	179.5	-62.3	165.4	0	0	0	107.8	R248 D252	R248-I250 PolarHBondContact O-N 3Å; I250-D252 PolarHBondContact O-N 2.86Å
251	V	29.2	Very low	46.9	Very low	121 Å²	121	102 Å²	102	73%	0.733	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-59.9	119.7	170.4	173.1	0	0	0	0	107.6	P249 T253	P249-V251 PolarHBondContact O-N 2.9Å; V251-T253 PolarHBondContact O-N 2.97Å; V251-T253 PolarHBondContact O-OG1 3.45Å
252	D	26.5	Very low	43.8	Very low	163 Å²	163	107.9 Å²	107.9	87%	0.872	63%	0.63	S	S	*	*			trans	-44.4	94.4	178.8	-67.2	-44.9	0	0	0	111.3	I250	I250-D252 PolarHBondContact O-N 2.86Å
253	T	27.3	Very low	40.7	Very low	116 Å²	116	106.6 Å²	106.6	71%	0.712	64%	0.639	S	S	*	*			trans	-106.9	96.7	166.2	-23.4	0	0	0	0	105.1	V251 T255	V251-T253 PolarHBondContact O-N 2.97Å; V251-T253 PolarHBondContact O-OG1 3.45Å; T253-T255 PolarHBondContact O-N 2.75Å
254	A	26	Very low	37.7	Very low	101 Å²	101	112.9 Å²	112.9	84%	0.835	67%	0.669	S	S	*	*			trans	-55.3	101.6	176	0	0	0	0	0	109.8
255	T	26.7	Very low	34.8	Very low	119 Å²	119	121.8 Å²	121.8	73%	0.73	71%	0.713	S	S	*	*			trans	-125.4	88.3	158.3	29.7	0	0	0	0	107.4	T253 T257	T253-T255 PolarHBondContact O-N 2.75Å; T255-T257 PolarHBondContact O-N 3.34Å
256	S	24.2	Very low	31.8	Very low	113 Å²	113	127.7 Å²	127.7	79%	0.79	75%	0.75	S	S	*	*			trans	-37.5	107.2	157.7	49.3	0	0	0	0	110.9
257	T	26	Very low	29.2	Very low	131 Å²	131	129.7 Å²	129.7	80%	0.804	77%	0.767	S	S	*	*			trans	-131.4	84.1	155.6	6.1	0	0	0	0	107.9	T255 T259	T255-T257 PolarHBondContact O-N 3.34Å; T257-T259 PolarHBondContact O-N 2.69Å
258	T	23.8	Very low	27.6	Very low	123 Å²	123	129.8 Å²	129.8	76%	0.755	78%	0.777	S	S	*	*			trans	-47.5	114.9	160.1	34.9	0	0	0	0	110.7
259	T	26.8	Very low	26.6	Very low	139 Å²	139	128.5 Å²	128.5	85%	0.853	79%	0.789	S	S	*	*			trans	-136.1	105.5	146.4	38.4	0	0	0	0	108.6	T257	T257-T259 PolarHBondContact O-N 2.69Å
260	N	23.7	Very low	26.3	Very low	142 Å²	142	129.4 Å²	129.4	76%	0.759	79%	0.794	S	S	*	*			trans	-63.2	158.6	168.3	-70.1	-32.1	0	0	0	110.7
261	T	25.5	Very low	26	Very low	131 Å²	131	127.8 Å²	127.8	80%	0.804	80%	0.797	S	S	*	*			trans	116.3	124	167.6	61.6	0	0	0	0	110.4
262	T	26.3	Very low	25.8	Very low	127 Å²	127	127.1 Å²	127.1	78%	0.779	80%	0.798	S	S	*	*			cis	-167.6	137.9	20.2	4.2	0	0	0	0	109.4
263	A	26.3	Very low	25.9	Very low	83 Å²	83	125.4 Å²	125.4	69%	0.686	80%	0.795	S	S	*	*			trans	33.8	113.7	141	0	0	0	0	0	120.9
264	N	26.2	Very low	25.7	Very low	153 Å²	153	127 Å²	127	82%	0.818	80%	0.8	S	S	*	*				44.3	99.9	119.5	-67.9	2.1	0	0	0	118.7
265	M	27.3	Very low	25.8	Very low	191 Å²	191	130.1 Å²	130.1	94%	0.941	80%	0.802	S	S	*	*			trans	-136.5	104.3	138	-76.4	-168.2	162.9	0	0	109.4	P267	M265-P267 WeakPolarHBondContact O-CD 3.39Å
266	T	22.4	Very low	25.6	Very low	135 Å²	135	130 Å²	130	83%	0.828	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-83	120.2	169.3	41.9	0	0	0	0	110
267	P	27.9	Very low	25.6	Very low	120 Å²	120	131.9 Å²	131.9	78%	0.779	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-98.3	121	159.2	5.4	15.7	0	0	0	109	M265	M265-P267 WeakPolarHBondContact O-CD 3.39Å
268	S	25.6	Very low	25.6	Very low	117 Å²	117	131 Å²	131	82%	0.818	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-58.8	125.1	178	45.3	0	0	0	0	112.9
269	S	25.4	Very low	25.7	Very low	108 Å²	108	132.6 Å²	132.6	76%	0.755	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-67.4	136.1	168.8	46	0	0	0	0	112.4
270	P	28.2	Very low	25.5	Very low	129 Å²	129	134.9 Å²	134.9	84%	0.838	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-76.8	137.9	169.4	-1.7	18.9	0	0	0	111
271	S	25	Very low	25.5	Very low	121 Å²	121	140 Å²	140	85%	0.846	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-59.4	122.5	-178.9	47.6	0	0	0	0	113.7
272	S	24.8	Very low	25.5	Very low	107 Å²	107	138.6 Å²	138.6	75%	0.748	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-71.9	141.8	164.9	49.2	0	0	0	0	111.4
273	P	27.7	Very low	25.4	Very low	127 Å²	127	143.9 Å²	143.9	83%	0.825	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-78	139.1	171	17.9	-6.5	0	0	0	111.3
274	D	23.7	Very low	25.3	Very low	151 Å²	151	146 Å²	146	81%	0.807	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-53.1	127.5	172	-71.5	-50.6	0	0	0	112
275	D	27.4	Very low	25.1	Very low	166 Å²	166	143.6 Å²	143.6	89%	0.888	82%	0.817	S	S	*	*			trans	-149	128.7	143.6	-100.8	-32.3	0	0	0	110.1
276	T	23.4	Very low	24.9	Very low	115 Å²	115	138.8 Å²	138.8	71%	0.706	81%	0.807	S	S	*	*			trans	-80.3	157.8	-162.4	34.9	0	0	0	0	114.7
277	D	23.9	Very low	24.9	Very low	153 Å²	153	138.3 Å²	138.3	82%	0.818	81%	0.805	S	S	*	*			trans	80.3	66.2	156.5	-60.5	-16.9	0	0	0	119.5
278	S	26	Very low	24.6	Very low	114 Å²	114	138.7 Å²	138.7	80%	0.797	81%	0.805	S	S	*	*			trans	-104.8	105.3	154.1	69.4	0	0	0	0	111.2	Q280	S278-Q280 PolarHBondContact O-N 2.83Å
279	N	25.9	Very low	24.4	Very low	155 Å²	155	139.4 Å²	139.4	83%	0.829	81%	0.805	S	S	*	*			trans	-46.9	115.8	175.3	-79.3	-49	0	0	0	113	W281	N279-W281 PolarHBondContact O-N 3.49Å
280	Q	23.4	Very low	24.4	Very low	187 Å²	187	139 Å²	139	87%	0.874	80%	0.801	S	S	*	*			trans	-60.3	113.8	176.2	-79.7	177.9	-16.8	0	0	111.8	S278 S282	S278-Q280 PolarHBondContact O-N 2.83Å; Q280-S282 PolarHBondContact O-N 3.37Å; Q280-S282 VanDerWaalsContact O-N 3.12Å
281	W	24.2	Very low	24.2	Very low	249 Å²	249	136.7 Å²	136.7	94%	0.943	80%	0.802	S	S	*	*			trans	-70.7	98	161.7	-74.9	-7.7	0	0	0	109.9	N279 R283	N279-W281 PolarHBondContact O-N 3.49Å; W281-R283 PolarHBondContact O-N 3.48Å; W281-R283 VanDerWaalsContact O-N 3.09Å
282	S	25.5	Very low	24.2	Very low	103 Å²	103	139.9 Å²	139.9	72%	0.72	80%	0.801	S	S	*	*			trans	-61.8	106.4	168.1	49.7	0	0	0	0	110.3	Q280 T284	Q280-S282 PolarHBondContact O-N 3.37Å; Q280-S282 VanDerWaalsContact O-N 3.12Å; S282-T284 PolarHBondContact O-N 3.4Å
283	R	23.7	Very low	24.2	Very low	237 Å²	237	137.7 Å²	137.7	89%	0.894	80%	0.795	S	S	*	*			trans	-61.2	97.8	165.4	-81.8	-177.9	-170.6	173.4	4.5	109.3	W281 S285	W281-R283 PolarHBondContact O-N 3.48Å; W281-R283 VanDerWaalsContact O-N 3.09Å; R283-S285 PolarHBondContact O-N 3.03Å
284	T	22.9	Very low	24.2	Very low	127 Å²	127	137.9 Å²	137.9	78%	0.779	80%	0.796	S	S	*	*			trans	-81.1	96.5	160.9	47.9	0	0	0	0	108.7	S282 A286	S282-T284 PolarHBondContact O-N 3.4Å; T284-A286 PolarHBondContact O-N 2.76Å
285	S	23.3	Very low	24.3	Very low	104 Å²	104	139.7 Å²	139.7	73%	0.727	80%	0.796	S	S	*	*			trans	-61.2	96.6	169.1	-50.2	0	0	0	0	109.6	R283 T287	R283-S285 PolarHBondContact O-N 3.03Å; S285-T287 PolarHBondContact O-N 3.42Å
286	A	22.7	Very low	24.3	Very low	89 Å²	89	138.1 Å²	138.1	74%	0.736	79%	0.793	S	S	*	*			trans	-85.7	97.5	171.2	0	0	0	0	0	109.1	T284 T288	T284-A286 PolarHBondContact O-N 2.76Å; A286-T288 PolarHBondContact O-N 2.8Å; A286-T288 VanDerWaalsContact O-N 3.08Å
287	T	21.5	Very low	24.2	Very low	125 Å²	125	140 Å²	140	77%	0.767	80%	0.798	S	S	*	*			trans	-63.3	97.9	172.9	-39.3	0	0	0	0	109.6	S285 T289	S285-T287 PolarHBondContact O-N 3.42Å; T287-T289 PolarHBondContact O-N 2.96Å
288	T	22.6	Very low	24.2	Very low	129 Å²	129	141.3 Å²	141.3	79%	0.791	80%	0.797	S	S	*	*			trans	-84.5	97.7	166.8	42.9	0	0	0	0	109	A286 S290	A286-T288 PolarHBondContact O-N 2.8Å; A286-T288 VanDerWaalsContact O-N 3.08Å; T288-S290 PolarHBondContact O-N 3.29Å; T288-S290 VanDerWaalsContact O-N 3.11Å
289	T	21.7	Very low	24.1	Very low	132 Å²	132	141 Å²	141	81%	0.81	80%	0.795	S	S	*	*			trans	-65.6	96.7	169.1	42.5	0	0	0	0	110.2	T287	T287-T289 PolarHBondContact O-N 2.96Å
290	S	25.6	Very low	24.2	Very low	98 Å²	98	140.6 Å²	140.6	69%	0.685	79%	0.791	S	S	*	*			trans	-87.5	102.1	163.5	56.5	0	0	0	0	108.7	T288 F292	T288-S290 PolarHBondContact O-N 3.29Å; T288-S290 VanDerWaalsContact O-N 3.11Å; S290-F292 PolarHBondContact O-N 3.12Å
291	G	22.6	Very low	24.3	Very low	82 Å²	82	138.2 Å²	138.2	85%	0.845	79%	0.79	S	S	*	*			trans	-66.2	112.5	173.5	0	0	0	0	0	110.9
292	F	25.9	Very low	24.5	Very low	188 Å²	188	129.3 Å²	129.3	83%	0.825	78%	0.775	S	S	*	*			trans	-104.8	117.4	163.5	-95.6	-87	0	0	0	108	S290	S290-F292 PolarHBondContact O-N 3.12Å
293	G	25.5	Very low	24.7	Very low	60 Å²	60	132.7 Å²	132.7	62%	0.619	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-63.7	161.2	174	0	0	0	0	0	112.8	K295	G293-K295 PolarHBondContact O-N 2.87Å
294	P	27.7	Very low	25.3	Very low	131 Å²	131	125.3 Å²	125.3	85%	0.851	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-73.2	121	-164.8	29.3	-32.6	0	0	0	111.2	V296	P294-V296 PolarHBondContact O-N 2.87Å
295	K	25.6	Very low	26	Very low	189 Å²	189	124.6 Å²	124.6	82%	0.822	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-70.4	117.9	168.2	-78.7	-178.3	175.7	178.5	0	108.9	G293 N297	G293-K295 PolarHBondContact O-N 2.87Å; K295-N297 PolarHBondContact O-N 3.32Å
296	V	26	Very low	26.6	Very low	134 Å²	134	128.4 Å²	128.4	81%	0.812	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-63.7	118.2	170.6	176.8	0	0	0	0	108.6	P294 F298	P294-V296 PolarHBondContact O-N 2.87Å; V296-F298 PolarHBondContact O-N 2.93Å
297	N	22.6	Very low	27.6	Very low	153 Å²	153	128.8 Å²	128.8	82%	0.818	76%	0.758	S	S	*	*			trans	-73.9	103.6	177.9	-77.4	-21.2	0	0	0	110	K295 S299	K295-N297 PolarHBondContact O-N 3.32Å; N297-S299 PolarHBondContact O-N 3.18Å
298	F	22.7	Very low	28.6	Very low	182 Å²	182	128.1 Å²	128.1	80%	0.798	75%	0.75	S	S	*	*			trans	-84.3	98.5	165.3	-134.5	-89.7	0	0	0	108.4	V296 I300	V296-F298 PolarHBondContact O-N 2.93Å; F298-I300 HydrophobicContact CD1-CD1 4.45Å; F298-I300 HydrophobicContact CD1-CG1 4.06Å; F298-I300 PolarHBondContact O-N 2.89Å
299	S	24.4	Very low	29.4	Very low	107 Å²	107	127.1 Å²	127.1	75%	0.748	74%	0.739	S	S	*	*			trans	-80.7	99.2	173.4	55.5	0	0	0	0	109.5	N297	N297-S299 PolarHBondContact O-N 3.18Å
300	I	28	Very low	31.4	Very low	147 Å²	147	122.3 Å²	122.3	75%	0.754	71%	0.711	S	S	*	*			trans	-89	116	162.5	-61.9	178.9	0	0	0	107.1	F298 G302	F298-I300 HydrophobicContact CD1-CD1 4.45Å; F298-I300 HydrophobicContact CD1-CG1 4.06Å; F298-I300 PolarHBondContact O-N 2.89Å; I300-G302 PolarHBondContact O-N 2.98Å
301	T	25.1	Very low	33.7	Very low	137 Å²	137	124.8 Å²	124.8	84%	0.84	71%	0.71	S	S	*	*			trans	-62.9	120.5	172.8	45.4	0	0	0	0	110.4
302	G	29.4	Very low	36.3	Very low	62 Å²	62	125.8 Å²	125.8	64%	0.639	70%	0.695	S	S	*	*			trans	173.1	72.4	177.8	0	0	0	0	0	111	I300 S304	I300-G302 PolarHBondContact O-N 2.98Å; G302-S304 PolarHBondContact O-N 3.41Å
303	N	30.2	Very low	38.9	Very low	173 Å²	173	120.6 Å²	120.6	93%	0.925	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	93.1	-180	-101.3	-1	0	0	0	110.3
304	S	35.7	Very low	41.7	Very low	83 Å²	83	118.4 Å²	118.4	58%	0.58	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-173.4	-19	153.2	54.8	0	0	0	0	113.8	G302	G302-S304 PolarHBondContact O-N 3.41Å
305	D	37.5	Very low	44.5	Very low	112 Å²	112	117.3 Å²	117.3	60%	0.599	63%	0.633	S	S	*	*	H	α-helix	trans	-95	-11.2	-165	-63.1	-13	0	0	0	115.2	T307 L309	D305-T307 PolarHBondContact O-N 3.44Å; D305-L309 WeakPolarHBondContact O-CB 3.21Å; D305-L309 PolarHBondContact O-N 2.91Å; D305-L309 VanDerWaalsContact O-N 3.13Å
306	K	35.7	Very low	47.4	Very low	183 Å²	183	112.3 Å²	112.3	80%	0.796	62%	0.615	S	S	*	*	H	α-helix	trans	-69.6	-31	-176.4	-77.7	-176.4	177.3	176.1	0	114.2	S310	K306-S310 PolarHBondContact O-N 3.42Å
307	T	42.6	Very low	50.2	Low	98 Å²	98	107.6 Å²	107.6	60%	0.601	59%	0.585	S	S	*	*	H	α-helix	trans	-75	-42.5	179.5	45.4	0	0	0	0	111.6	D305 S310 K311	D305-T307 PolarHBondContact O-N 3.44Å; T307-S310 PolarHBondContact O-N 2.68Å; T307-S310 PolarHBondContact O-OG 3.41Å; T307-K311 PolarHBondContact O-N 2.73Å
308	N	43.1	Very low	53.3	Low	110 Å²	110	101.6 Å²	101.6	59%	0.588	55%	0.551	S	S	*	*	H	α-helix	trans	-67.6	-40.5	178	-75.2	-17.2	0	0	0	112.5	S310 K311 L312	N308-S310 PolarHBondContact O-N 2.7Å; N308-K311 PolarHBondContact O-N 3.33Å; N308-L312 PolarHBondContact O-N 3.18Å; N308-L312 VanDerWaalsContact O-N 3.16Å
309	L	39	Very low	56.5	Low	108 Å²	108	97.5 Å²	97.5	57%	0.565	54%	0.538	S	S	*	.	H	α-helix	trans	-58.1	-41	175.9	-164.2	71.7	0	0	0	111.1	D305 K311 L312 D313	D305-L309 WeakPolarHBondContact O-CB 3.21Å; D305-L309 PolarHBondContact O-N 2.91Å; D305-L309 VanDerWaalsContact O-N 3.13Å; L309-K311 PolarHBondContact O-N 3.14Å; L309-L312 PolarHBondContact O-N 3.15Å; L309-D313 VanDerWaalsContact O-CG 3.23Å; L309-D313 PolarHBondContact O-N 3.37Å; L309-D313 VanDerWaalsContact O-N 3.1Å
310	S	65.2	Low	59.6	Low	31 Å²	31	94.9 Å²	94.9	22%	0.217	51%	0.514	C	S	.	.	H	α-helix	trans	-72	-25.4	-177.7	83	0	0	0	0	115.1	R248 K306 T307 N308 I314	R248-S310 PolarHBondContact NH2-O 2.94Å; R248-S310 VanDerWaalsContact NH2-O 3.15Å; K306-S310 PolarHBondContact O-N 3.42Å; T307-S310 PolarHBondContact O-N 2.68Å; T307-S310 PolarHBondContact O-OG 3.41Å; N308-S310 PolarHBondContact O-N 2.7Å; S310-I314 WeakPolarHBondContact O-CG1 3.48Å
311	K	73.7	Confident	62.6	Low	151 Å²	151	87.9 Å²	87.9	66%	0.657	48%	0.478	S	S	*	.	H	α-helix	trans	-78.4	-42.9	174.5	-78	-171.3	176.5	-174.1	0	110.8	T307 N308 L309 D313 I314 E315	T307-K311 PolarHBondContact O-N 2.73Å; N308-K311 PolarHBondContact O-N 3.33Å; L309-K311 PolarHBondContact O-N 3.14Å; K311-D313 VanDerWaalsContact C-N 3.26Å; K311-D313 PolarHBondContact O-N 2.96Å; K311-I314 PolarHBondContact O-N 3.04Å; K311-I314 VanDerWaalsContact O-N 3.14Å; K311-E315 PolarHBondContact O-N 2.66Å; K311-E315 VanDerWaalsContact O-N 3.14Å
312	L	76.7	Confident	65.7	Low	102 Å²	102	83.8 Å²	83.8	53%	0.534	45%	0.448	S	S	.	.	H	α-helix	trans	-59.8	-39.7	176.8	-173.4	65.8	0	0	0	111.5	N308 L309 I314 E315 N316	N308-L312 PolarHBondContact O-N 3.18Å; N308-L312 VanDerWaalsContact O-N 3.16Å; L309-L312 PolarHBondContact O-N 3.15Å; L312-I314 VanDerWaalsContact C-N 3.34Å; L312-I314 PolarHBondContact O-N 3.28Å; L312-E315 PolarHBondContact O-N 3.34Å; L312-N316 WeakPolarHBondContact O-CB 3.41Å; L312-N316 VanDerWaalsContact O-CG 3.22Å; L312-N316 PolarHBondContact O-N 2.86Å; L312-N316 PolarHBondContact O-ND2 3.26Å
313	D	80.4	Confident	68.6	Low	80 Å²	80	86 Å²	86	43%	0.428	45%	0.445	S	S	.	.	H	α-helix	trans	-62.6	-38.1	176	-69.5	-23.4	0	0	0	112.7	L309 K311 M317	L309-D313 VanDerWaalsContact O-CG 3.23Å; L309-D313 PolarHBondContact O-N 3.37Å; L309-D313 VanDerWaalsContact O-N 3.1Å; K311-D313 VanDerWaalsContact C-N 3.26Å; K311-D313 PolarHBondContact O-N 2.96Å; D313-M317 WeakPolarHBondContact O-CG 3.43Å; D313-M317 PolarHBondContact O-N 3.21Å
314	I	83.7	Confident	71.4	Confident	14 Å²	14	80 Å²	80	7%	0.072	42%	0.417	C	S	.	.	H	α-helix	trans	-65.2	-48.5	176.6	-70.1	167.9	0	0	0	110.7	F245 S310 K311 L312 N316 M317 K318	F245-I314 HydrophobicContact CB-CG2 4.09Å; S310-I314 WeakPolarHBondContact O-CG1 3.48Å; K311-I314 PolarHBondContact O-N 3.04Å; K311-I314 VanDerWaalsContact O-N 3.14Å; L312-I314 VanDerWaalsContact C-N 3.34Å; L312-I314 PolarHBondContact O-N 3.28Å; I314-N316 VanDerWaalsContact C-N 3.28Å; I314-N316 PolarHBondContact O-N 3.03Å; I314-M317 HydrophobicContact CG1-CE 4.18Å; I314-M317 WeakPolarHBondContact O-CB 3.38Å; I314-M317 PolarHBondContact O-N 3.2Å; I314-M317 VanDerWaalsContact O-N 3.11Å; I314-K318 HydrophobicContact CG2-CD 3.97Å; I314-K318 HydrophobicContact CG2-CG 4.26Å; I314-K318 WeakPolarHBondContact O-CG 3.48Å; I314-K318 PolarHBondContact O-N 3.11Å
315	E	86.4	Confident	74	Confident	107 Å²	107	76.2 Å²	76.2	50%	0.5	39%	0.39	S	S	.	.	H	α-helix	trans	-62.2	-38.6	-179.6	-69.8	-55.5	129.1	0	0	111.6	K311 L312 K318 L319	K311-E315 PolarHBondContact O-N 2.66Å; K311-E315 VanDerWaalsContact O-N 3.14Å; L312-E315 PolarHBondContact O-N 3.34Å; E315-K318 PolarHBondContact O-N 3.13Å; E315-K318 IonicContact OE1-NZ 2.67Å; E315-L319 WeakPolarHBondContact O-CB 3.47Å; E315-L319 PolarHBondContact O-N 2.83Å
316	N	86.8	Confident	76.4	Confident	84 Å²	84	72 Å²	72	45%	0.449	37%	0.367	S	S	.	.	H	α-helix	trans	-63.6	-41.5	173.5	-71.4	-26.2	0	0	0	112.1	L312 I314 L319 E320	L312-N316 WeakPolarHBondContact O-CB 3.41Å; L312-N316 VanDerWaalsContact O-CG 3.22Å; L312-N316 PolarHBondContact O-N 2.86Å; L312-N316 PolarHBondContact O-ND2 3.26Å; I314-N316 VanDerWaalsContact C-N 3.28Å; I314-N316 PolarHBondContact O-N 3.03Å; N316-L319 PolarHBondContact O-N 3Å; N316-E320 WeakPolarHBondContact O-CB 3.48Å; N316-E320 PolarHBondContact O-N 3.22Å
317	M	85.2	Confident	78.7	Confident	35 Å²	35	66.5 Å²	66.5	17%	0.172	35%	0.345	C	S	.	.	H	α-helix	trans	-65.5	-42.4	175.4	-75	-172.8	-65.7	0	0	112.2	F245 D313 I314 L319 E320 A321 I370	F245-M317 HydrophobicContact CE1-CB 4.47Å; F245-M317 HydrophobicContact CZ-CB 4.35Å; D313-M317 WeakPolarHBondContact O-CG 3.43Å; D313-M317 PolarHBondContact O-N 3.21Å; I314-M317 HydrophobicContact CG1-CE 4.18Å; I314-M317 WeakPolarHBondContact O-CB 3.38Å; I314-M317 PolarHBondContact O-N 3.2Å; I314-M317 VanDerWaalsContact O-N 3.11Å; M317-L319 VanDerWaalsContact C-N 3.34Å; M317-E320 PolarHBondContact O-N 3.22Å; M317-A321 VanDerWaalsContact O-CB 3.28Å; M317-A321 WeakPolarHBondContact O-CB 3.39Å; M317-A321 PolarHBondContact O-N 3.26Å; M317-I370 HydrophobicContact SD-CG2 4.07Å
318	K	88.5	Confident	80.6	Confident	27 Å²	27	68.4 Å²	68.4	12%	0.117	35%	0.347	C	S	.	.	H	α-helix	trans	-59.3	-46.2	175	-75.6	176.8	-179.3	179.4	0	110.5	F245 D246 I314 E315 A321 K322	F245-K318 HydrophobicContact CD2-CG 3.6Å; F245-K318 HydrophobicContact CE2-CG 4.22Å; F245-K318 HydrophobicContact CG-CG 4.42Å; D246-K318 IonicContact OD1-NZ 2.95Å; D246-K318 PolarHBondContact OD1-NZ 3.44Å; D246-K318 IonicContact OD2-NZ 3.4Å; D246-K318 PolarHBondContact OD2-NZ 3.37Å; I314-K318 HydrophobicContact CG2-CD 3.97Å; I314-K318 HydrophobicContact CG2-CG 4.26Å; I314-K318 WeakPolarHBondContact O-CG 3.48Å; I314-K318 PolarHBondContact O-N 3.11Å; E315-K318 PolarHBondContact O-N 3.13Å; E315-K318 IonicContact OE1-NZ 2.67Å; K318-A321 WeakPolarHBondContact O-CB 3.41Å; K318-A321 PolarHBondContact O-N 2.9Å; K318-K322 WeakPolarHBondContact O-CB 3.48Å; K318-K322 PolarHBondContact O-N 3.3Å
319	L	89.3	Confident	82.2	Confident	97 Å²	97	64.6 Å²	64.6	51%	0.508	33%	0.327	S	S	.	.	H	α-helix	trans	-65.3	-43.4	177.9	-174.2	64.7	0	0	0	112.3	E315 N316 M317 A321 K322 N323	E315-L319 WeakPolarHBondContact O-CB 3.47Å; E315-L319 PolarHBondContact O-N 2.83Å; N316-L319 PolarHBondContact O-N 3Å; M317-L319 VanDerWaalsContact C-N 3.34Å; L319-A321 VanDerWaalsContact C-N 3.33Å; L319-A321 PolarHBondContact O-N 3.48Å; L319-K322 PolarHBondContact O-N 3.11Å; L319-N323 WeakPolarHBondContact O-CB 3.27Å; L319-N323 VanDerWaalsContact O-CG 3.23Å; L319-N323 PolarHBondContact O-N 3.1Å; L319-N323 PolarHBondContact O-ND2 3.19Å
320	E	90.3	Very high	84.2	Confident	52 Å²	52	65.1 Å²	65.1	24%	0.243	33%	0.33	C	S	.	.	H	α-helix	trans	-60.5	-43.2	174.9	-165.5	-167	158.3	0	0	111	N316 M317 S324 L367 R368 S369	N316-E320 WeakPolarHBondContact O-CB 3.48Å; N316-E320 PolarHBondContact O-N 3.22Å; M317-E320 PolarHBondContact O-N 3.22Å; E320-S324 WeakPolarHBondContact O-CB 3.45Å; E320-S324 PolarHBondContact O-N 3.47Å; E320-S324 PolarHBondContact O-OG 2.85Å; E320-L367 HydrophobicContact CB-CD2 4.14Å; E320-L367 HydrophobicContact CG-CD2 3.66Å; E320-R368 PolarHBondContact OE1-N 2.76Å; E320-S369 VanDerWaalsContact OE2-CB 3.27Å; E320-S369 WeakPolarHBondContact OE2-CB 3.28Å; E320-S369 PolarHBondContact OE2-OG 3.25Å
321	A	90.7	Very high	84.7	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-61.6	-50.6	176.7	0	0	0	0	0	111.8	L241 F245 M317 K318 L319 N323 S324 L325 L367	L241-A321 HydrophobicContact CD1-CB 4.04Å; L241-A321 HydrophobicContact CD2-CB 3.65Å; F245-A321 HydrophobicContact CE2-CB 4.25Å; M317-A321 VanDerWaalsContact O-CB 3.28Å; M317-A321 WeakPolarHBondContact O-CB 3.39Å; M317-A321 PolarHBondContact O-N 3.26Å; K318-A321 WeakPolarHBondContact O-CB 3.41Å; K318-A321 PolarHBondContact O-N 2.9Å; L319-A321 VanDerWaalsContact C-N 3.33Å; L319-A321 PolarHBondContact O-N 3.48Å; A321-N323 PolarHBondContact O-N 3.3Å; A321-S324 PolarHBondContact O-N 3.22Å; A321-S324 VanDerWaalsContact O-N 3.15Å; A321-L325 WeakPolarHBondContact O-CB 3.27Å; A321-L325 WeakPolarHBondContact O-CD1 3.36Å; A321-L325 VanDerWaalsContact O-CG 3.29Å; A321-L325 WeakPolarHBondContact O-CG 3.22Å; A321-L325 PolarHBondContact O-N 3.36Å; A321-L367 HydrophobicContact CB-CD1 3.63Å; A321-L367 HydrophobicContact CB-CD2 4.45Å
322	K	90.7	Very high	85.1	Confident	50 Å²	50	67.7 Å²	67.7	22%	0.217	34%	0.338	C	S	.	.	H	α-helix	trans	-58.6	-48.2	178.7	-175.4	172.2	177.9	170.3	0	111.6	E234 L241 K318 L319 S324 L325 M326	E234-K322 VanDerWaalsContact OE1-CE 3.22Å; E234-K322 WeakPolarHBondContact OE1-CE 3.39Å; E234-K322 IonicContact OE1-NZ 3.47Å; E234-K322 PolarHBondContact OE1-NZ 3.34Å; L241-K322 HydrophobicContact CD1-CB 4.05Å; K318-K322 WeakPolarHBondContact O-CB 3.48Å; K318-K322 PolarHBondContact O-N 3.3Å; L319-K322 PolarHBondContact O-N 3.11Å; K322-S324 VanDerWaalsContact C-N 3.25Å; K322-S324 PolarHBondContact O-N 2.89Å; K322-L325 PolarHBondContact O-N 2.97Å; K322-M326 HydrophobicContact CG-CG 4.38Å; K322-M326 WeakPolarHBondContact O-CB 3.43Å; K322-M326 WeakPolarHBondContact O-CG 3.43Å; K322-M326 PolarHBondContact O-N 3.12Å
323	N	89.1	Confident	85.2	Confident	109 Å²	109	66.5 Å²	66.5	58%	0.583	35%	0.35	S	S	*	.	H	α-helix	trans	-64.7	-28.6	177.9	-70.2	-20	0	0	0	113.2	L319 A321	L319-N323 WeakPolarHBondContact O-CB 3.27Å; L319-N323 VanDerWaalsContact O-CG 3.23Å; L319-N323 PolarHBondContact O-N 3.1Å; L319-N323 PolarHBondContact O-ND2 3.19Å; A321-N323 PolarHBondContact O-N 3.3Å
324	S	88.7	Confident	85.1	Confident	48 Å²	48	71.2 Å²	71.2	34%	0.336	36%	0.363	S	S	.	.	H	α-helix	trans	-82.7	-27.5	177.8	-58.7	0	0	0	0	112.9	E320 A321 K322	E320-S324 WeakPolarHBondContact O-CB 3.45Å; E320-S324 PolarHBondContact O-N 3.47Å; E320-S324 PolarHBondContact O-OG 2.85Å; A321-S324 PolarHBondContact O-N 3.22Å; A321-S324 VanDerWaalsContact O-N 3.15Å; K322-S324 VanDerWaalsContact C-N 3.25Å; K322-S324 PolarHBondContact O-N 2.89Å
325	L	90.5	Very high	84.9	Confident	2 Å²	2	75.3 Å²	75.3	1%	0.01	39%	0.389	C	S	.	.	H	α-helix	trans	-84.5	-34.3	178.6	-73	164	0	0	0	112.4	I237 L241 A321 K322 L339 A340 A363 C365 L398	I237-L325 HydrophobicContact CG2-CD1 4.12Å; L241-L325 HydrophobicContact CD2-CD1 4.21Å; A321-L325 WeakPolarHBondContact O-CB 3.27Å; A321-L325 WeakPolarHBondContact O-CD1 3.36Å; A321-L325 VanDerWaalsContact O-CG 3.29Å; A321-L325 WeakPolarHBondContact O-CG 3.22Å; A321-L325 PolarHBondContact O-N 3.36Å; K322-L325 PolarHBondContact O-N 2.97Å; L325-L339 CarbonylContact O-C 3.58Å; L325-L339 WeakPolarHBondContact O-CA 3.37Å; L325-A340 PolarHBondContact O-N 3.12Å; L325-A363 HydrophobicContact CD2-CB 4.44Å; L325-C365 HydrophobicContact CD2-CB 3.66Å; L325-C365 HydrophobicContact CG-CB 3.9Å; L325-L398 HydrophobicContact CD1-CD1 3.66Å; L325-L398 HydrophobicContact CD1-CD2 4.3Å; L325-L398 HydrophobicContact CD2-CD1 3.52Å; L325-L398 HydrophobicContact CG-CD1 4.25Å
326	M	88.6	Confident	84.5	Confident	23 Å²	23	74.6 Å²	74.6	11%	0.113	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	132.8	-175.1	-58.4	-64.1	-81.4	0	0	110.7	L233 I237 K322 Q337 L339	L233-M326 HydrophobicContact CD2-CE 3.71Å; L233-M326 HydrophobicContact CD2-SD 4Å; L233-M326 HydrophobicContact CG-CE 3.89Å; L233-M326 HydrophobicContact CG-SD 4.15Å; I237-M326 HydrophobicContact CG1-SD 4.46Å; K322-M326 HydrophobicContact CG-CG 4.38Å; K322-M326 WeakPolarHBondContact O-CB 3.43Å; K322-M326 WeakPolarHBondContact O-CG 3.43Å; K322-M326 PolarHBondContact O-N 3.12Å; M326-Q337 HydrophobicContact CE-CB 3.92Å; M326-L339 HydrophobicContact SD-CD2 4.05Å
327	M	83.2	Confident	84.2	Confident	68 Å²	68	74.2 Å²	74.2	34%	0.335	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	126.5	174.1	-171.2	176.9	69.9	0	0	109.5	I329 Q337 R338 A340	M327-I329 HydrophobicContact CE-CD1 3.8Å; M327-I329 HydrophobicContact CE-CG1 3.85Å; M327-Q337 WeakPolarHBondContact O-CA 3.41Å; M327-R338 HydrophobicContact CE-CG 4.1Å; M327-R338 VanDerWaalsContact CE-CZ 3.48Å; M327-R338 PolarHBondContact N-O 2.92Å; M327-R338 PolarHBondContact O-N 2.99Å; M327-A340 HydrophobicContact CB-CB 4.09Å
328	Q	82.5	Confident	84.2	Confident	138 Å²	138	77.3 Å²	77.3	65%	0.645	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	132.2	171.6	-80	178.4	-11.1	0	0	110.4	Y336 Q337	Q328-Y336 WeakPolarHBondContact CA-O 3.1Å; Q328-Q337 HydrophobicContact CG-CG 3.9Å
329	I	77.9	Confident	84.1	Confident	31 Å²	31	76.8 Å²	76.8	16%	0.159	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.4	173.8	-61.2	177.7	0	0	0	108.2	M327 T335 Y336 R338	M327-I329 HydrophobicContact CE-CD1 3.8Å; M327-I329 HydrophobicContact CE-CG1 3.85Å; I329-T335 WeakPolarHBondContact O-CA 3.34Å; I329-Y336 HydrophobicContact CB-CD1 4.41Å; I329-Y336 HydrophobicContact CB-CD2 4.47Å; I329-Y336 HydrophobicContact CB-CE1 3.93Å; I329-Y336 HydrophobicContact CB-CE2 3.99Å; I329-Y336 HydrophobicContact CD1-CE2 3.87Å; I329-Y336 HydrophobicContact CG1-CE2 4.38Å; I329-Y336 HydrophobicContact CG2-CE1 3.78Å; I329-Y336 HydrophobicContact CG2-CE2 4.46Å; I329-Y336 PolarHBondContact N-O 3.46Å; I329-Y336 PolarHBondContact O-N 3.44Å; I329-R338 HydrophobicContact CD1-CG 3.72Å; I329-R338 VanDerWaalsContact CD1-CZ 3.42Å; I329-R338 HydrophobicContact CG1-CG 4.39Å
330	N	80.4	Confident	84	Confident	118 Å²	118	73.7 Å²	73.7	63%	0.631	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	109.7	173.6	-63.4	-11.4	0	0	0	108	Y334 T335	N330-Y334 WeakPolarHBondContact CA-O 3.27Å; N330-T335 HydrophobicContact CB-CG2 4.41Å; N330-T335 WeakPolarHBondContact OD1-CB 3.22Å; N330-T335 WeakPolarHBondContact OD1-CG2 3.26Å
331	Y	76.1	Confident	83.9	Confident	89 Å²	89	74 Å²	74	35%	0.349	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	122.4	178.4	-176.5	-97	0	0	0	109.9	N114 G333 Y334	N114-Y331 HydrophobicContact CB-CE1 4.33Å; N114-Y331 WeakPolarHBondContact ND2-CE1 3.35Å; Y331-G333 PolarHBondContact O-N 2.97Å; Y331-G333 VanDerWaalsContact O-N 3.1Å; Y331-Y334 PolarHBondContact N-O 3.09Å; Y331-Y334 PolarHBondContact O-N 3.46Å
332	Q	81	Confident	84	Confident	147 Å²	147	74.9 Å²	74.9	69%	0.687	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	38.2	179.1	-64.9	-178.4	-11.5	0	0	114.2	Y334	Q332-Y334 VanDerWaalsContact C-N 3.27Å; Q332-Y334 PolarHBondContact O-N 3.09Å
333	G	80.1	Confident	84	Confident	77 Å²	77	72.5 Å²	72.5	79%	0.794	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	-11	-179.2	0	0	0	0	0	115.2	Y331	Y331-G333 PolarHBondContact O-N 2.97Å; Y331-G333 VanDerWaalsContact O-N 3.1Å
334	Y	77.6	Confident	84	Confident	179 Å²	179	68.2 Å²	68.2	70%	0.702	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	130.6	171.4	-62.6	-82	0	0	0	110.3	N330 Y331 Q332	N330-Y334 WeakPolarHBondContact CA-O 3.27Å; Y331-Y334 PolarHBondContact N-O 3.09Å; Y331-Y334 PolarHBondContact O-N 3.46Å; Q332-Y334 VanDerWaalsContact C-N 3.27Å; Q332-Y334 PolarHBondContact O-N 3.09Å
335	T	78.3	Confident	84	Confident	100 Å²	100	66 Å²	66	61%	0.613	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.9	174.7	68.7	0	0	0	0	108.4	I329 N330	I329-T335 WeakPolarHBondContact O-CA 3.34Å; N330-T335 HydrophobicContact CB-CG2 4.41Å; N330-T335 WeakPolarHBondContact OD1-CB 3.22Å; N330-T335 WeakPolarHBondContact OD1-CG2 3.26Å
336	Y	78.3	Confident	83.7	Confident	93 Å²	93	66.4 Å²	66.4	37%	0.365	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	157.5	175.7	67.1	-89.9	0	0	0	110.3	Q328 I329	Q328-Y336 WeakPolarHBondContact CA-O 3.1Å; I329-Y336 HydrophobicContact CB-CD1 4.41Å; I329-Y336 HydrophobicContact CB-CD2 4.47Å; I329-Y336 HydrophobicContact CB-CE1 3.93Å; I329-Y336 HydrophobicContact CB-CE2 3.99Å; I329-Y336 HydrophobicContact CD1-CE2 3.87Å; I329-Y336 HydrophobicContact CG1-CE2 4.38Å; I329-Y336 HydrophobicContact CG2-CE1 3.78Å; I329-Y336 HydrophobicContact CG2-CE2 4.46Å; I329-Y336 PolarHBondContact N-O 3.46Å; I329-Y336 PolarHBondContact O-N 3.44Å
337	Q	81.4	Confident	83.3	Confident	75 Å²	75	66.9 Å²	66.9	35%	0.35	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	138.3	179.6	-61.7	-173.5	12.4	0	0	110.4	M326 M327 Q328	M326-Q337 HydrophobicContact CE-CB 3.92Å; M327-Q337 WeakPolarHBondContact O-CA 3.41Å; Q328-Q337 HydrophobicContact CG-CG 3.9Å
338	R	84.2	Confident	82.8	Confident	100 Å²	100	67.6 Å²	67.6	38%	0.377	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	164.4	170.3	74.9	167.9	-166.9	-154.1	-5.7	111.2	M327 I329	M327-R338 HydrophobicContact CE-CG 4.1Å; M327-R338 VanDerWaalsContact CE-CZ 3.48Å; M327-R338 PolarHBondContact N-O 2.92Å; M327-R338 PolarHBondContact O-N 2.99Å; I329-R338 HydrophobicContact CD1-CG 3.72Å; I329-R338 VanDerWaalsContact CD1-CZ 3.42Å; I329-R338 HydrophobicContact CG1-CG 4.39Å
339	L	87.9	Confident	82.2	Confident	16 Å²	16	63.6 Å²	63.6	8%	0.084	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	133.6	170.7	-67.7	167.9	0	0	0	110.7	L233 I237 L325 M326 T342 I361 A363	L233-L339 HydrophobicContact CD1-CD1 4.17Å; L233-L339 HydrophobicContact CD1-CD2 4.23Å; L233-L339 HydrophobicContact CD1-CG 4.12Å; L233-L339 HydrophobicContact CD2-CD2 4.45Å; L233-L339 HydrophobicContact CD2-CG 4.09Å; I237-L339 HydrophobicContact CD1-CD2 4.12Å; I237-L339 HydrophobicContact CG1-CD2 4.39Å; L325-L339 CarbonylContact O-C 3.58Å; L325-L339 WeakPolarHBondContact O-CA 3.37Å; M326-L339 HydrophobicContact SD-CD2 4.05Å; L339-T342 HydrophobicContact CB-CG2 3.37Å; L339-T342 HydrophobicContact CD1-CG2 3.78Å; L339-T342 HydrophobicContact CG-CG2 4.22Å; L339-I361 HydrophobicContact CD1-CD1 3.81Å; L339-I361 HydrophobicContact CD1-CG1 4.46Å; L339-A363 HydrophobicContact CD1-CB 3.99Å; L339-A363 HydrophobicContact CD2-CB 4.15Å
340	A	85.6	Confident	81.8	Confident	32 Å²	32	70.2 Å²	70.2	26%	0.264	37%	0.365	S	S	.	.	S	Bend	trans	-70.9	-48.9	-174.8	0	0	0	0	0	112.4	S195 L325 M327	S195-A340 PolarHBondContact OG-O 2.64Å; L325-A340 PolarHBondContact O-N 3.12Å; M327-A340 HydrophobicContact CB-CB 4.09Å
341	K	89.7	Confident	81.2	Confident	58 Å²	58	71.6 Å²	71.6	25%	0.252	37%	0.372	S	S	.	.	S	Bend	trans	-131.3	113.3	-175.1	-167.7	175.5	175.6	177.6	0	110.2	L194 M364 E411 I412	L194-K341 HydrophobicContact CD1-CG 4.17Å; K341-M364 HydrophobicContact CB-CG 3.94Å; K341-M364 HydrophobicContact CD-CG 3.71Å; K341-M364 HydrophobicContact CD-SD 4Å; K341-M364 HydrophobicContact CG-CG 3.56Å; K341-M364 HydrophobicContact CG-SD 3.91Å; K341-M364 PolarHBondContact O-N 2.83Å; K341-E411 IonicContact NZ-OE1 3.18Å; K341-E411 PolarHBondContact NZ-OE1 2.84Å; K341-I412 VanDerWaalsContact CE-CG1 3.48Å
342	T	91.2	Very high	80.3	Confident	19 Å²	19	72.8 Å²	72.8	12%	0.117	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	148.9	-176	58.5	0	0	0	0	112.5	L194 S195 L339 I361 C362	L194-T342 CarbonylContact C-O 3.49Å; L194-T342 WeakPolarHBondContact CA-O 3.34Å; L194-T342 WeakPolarHBondContact CD1-O 3.44Å; S195-T342 PolarHBondContact N-O 3.45Å; S195-T342 PolarHBondContact OG-N 3.05Å; L339-T342 HydrophobicContact CB-CG2 3.37Å; L339-T342 HydrophobicContact CD1-CG2 3.78Å; L339-T342 HydrophobicContact CG-CG2 4.22Å; T342-I361 HydrophobicContact CG2-CD1 3.99Å; T342-I361 HydrophobicContact CG2-CG1 4.12Å; T342-C362 CarbonylContact C-O 3.58Å; T342-C362 WeakPolarHBondContact CA-O 3.45Å
343	I	91.5	Very high	79.6	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	138.8	167.2	-72.2	172.8	0	0	0	108.8	L192 I193 L194 L200 W360 C362 M364	L192-I343 HydrophobicContact CB-CG2 4.21Å; L192-I343 HydrophobicContact CD1-CG2 4.49Å; L192-I343 HydrophobicContact CD2-CG2 4.26Å; I193-I343 WeakPolarHBondContact O-CA 3.46Å; L194-I343 HydrophobicContact CD1-CD1 4.43Å; L194-I343 HydrophobicContact CD1-CG1 3.71Å; L200-I343 HydrophobicContact CD1-CD1 3.54Å; L200-I343 HydrophobicContact CD1-CG1 3.82Å; I343-W360 HydrophobicContact CG2-CH2 4.21Å; I343-C362 HydrophobicContact CB-CB 4.18Å; I343-C362 PolarHBondContact N-O 3.45Å; I343-C362 PolarHBondContact O-N 3.21Å; I343-C362 VanDerWaalsContact O-N 3.14Å; I343-M364 HydrophobicContact CB-CE 4.07Å; I343-M364 HydrophobicContact CD1-CE 3.52Å; I343-M364 HydrophobicContact CG1-CE 3.45Å; I343-M364 VanDerWaalsContact CG1-CE 3.45Å
344	K	89.7	Confident	79.2	Confident	20 Å²	20	69.6 Å²	69.6	9%	0.087	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	158.4	172.8	-73.9	-170	174.2	-178.4	0	112.5	L192 I193 I361 S389 S390	L192-K344 CarbonylContact C-O 3.55Å; L192-K344 WeakPolarHBondContact CA-O 3.44Å; I193-K344 PolarHBondContact N-O 3.41Å; I193-K344 PolarHBondContact O-N 3.1Å; K344-I361 VanDerWaalsContact CE-CD1 3.5Å; K344-I361 HydrophobicContact CG-CG1 4.3Å; K344-S389 PolarHBondContact NZ-O 2.94Å; K344-S389 PolarHBondContact NZ-OG 2.94Å; K344-S390 WeakPolarHBondContact CE-OG 3.42Å; K344-S390 VanDerWaalsContact NZ-CB 3.26Å; K344-S390 PolarHBondContact NZ-OG 2.77Å
345	G	88.8	Confident	79.3	Confident	2 Å²	2	62.8 Å²	62.8	2%	0.021	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	143.3	168	0	0	0	0	0	111.4	D357 W360	G345-D357 VanDerWaalsContact O-CB 3.25Å; G345-D357 WeakPolarHBondContact O-CB 3.3Å; G345-D357 PolarHBondContact O-N 2.82Å; G345-W360 VanDerWaalsContact N-CZ2 3.29Å
346	V	83.8	Confident	79.6	Confident	10 Å²	10	60.4 Å²	60.4	6%	0.061	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	130.2	176.5	-177.1	0	0	0	0	109	T190 T191 I193 L354 S355 T356	T190-V346 WeakPolarHBondContact CA-O 3.2Å; T191-V346 PolarHBondContact N-O 3.24Å; T191-V346 PolarHBondContact O-N 3.06Å; I193-V346 HydrophobicContact CB-CG2 4.09Å; I193-V346 HydrophobicContact CD1-CB 3.89Å; I193-V346 HydrophobicContact CD1-CG1 4.14Å; I193-V346 HydrophobicContact CD1-CG2 3.58Å; I193-V346 HydrophobicContact CG1-CB 4.16Å; I193-V346 HydrophobicContact CG1-CG2 3.74Å; V346-L354 HydrophobicContact CG1-CD1 3.3Å; V346-L354 HydrophobicContact CG1-CD2 3.65Å; V346-L354 HydrophobicContact CG1-CG 3.23Å; V346-S355 WeakPolarHBondContact CA-O 3.29Å; V346-S355 WeakPolarHBondContact CG1-O 3.24Å; V346-T356 HydrophobicContact CG2-CG2 4.14Å
347	S	80.2	Confident	79.9	Confident	33 Å²	33	57 Å²	57	23%	0.231	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	145.5	-178.9	34.3	0	0	0	0	110.8	S355	S347-S355 PolarHBondContact N-O 3.44Å; S347-S355 PolarHBondContact O-N 2.96Å; S347-S355 PolarHBondContact O-OG 3.49Å; S347-S355 PolarHBondContact OG-OG 2.62Å
348	L	73.2	Confident	80.2	Confident	82 Å²	82	56.1 Å²	56.1	43%	0.429	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	124.1	167.7	-164.3	75.9	0	0	0	108
349	T	69.9	Low	80.5	Confident	55 Å²	55	52.4 Å²	52.4	34%	0.337	30%	0.296	S	S	.	.			trans	-85.1	159.6	169.7	53.4	0	0	0	0	110.1	D351 D352 C353 S355	T349-D351 PolarHBondContact O-N 2.75Å; T349-D352 PolarHBondContact O-N 3.3Å; T349-C353 PolarHBondContact N-O 3.37Å; T349-C353 PolarHBondContact OG1-O 2.85Å; T349-S355 WeakPolarHBondContact CG2-OG 3.29Å
350	D	69.3	Low	80.7	Confident	170 Å²	170	51.7 Å²	51.7	91%	0.909	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-27.7	-178.8	-62.1	-30	0	0	0	114	D352	D350-D352 PolarHBondContact O-N 2.86Å; D350-D352 VanDerWaalsContact O-N 3.12Å
351	D	66.9	Low	81.1	Confident	147 Å²	147	50.6 Å²	50.6	79%	0.786	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	18.8	176.8	-63.5	-34.3	0	0	0	114.4	T349 C353	T349-D351 PolarHBondContact O-N 2.75Å; D351-C353 PolarHBondContact O-N 3.46Å
352	D	58.4	Low	81.3	Confident	113 Å²	113	47.8 Å²	47.8	60%	0.604	27%	0.27	S	S	*	.	S	Bend	trans	55.9	12.2	-172.2	-85.2	-29.7	0	0	0	114.4	T349 D350	T349-D352 PolarHBondContact O-N 3.3Å; D350-D352 PolarHBondContact O-N 2.86Å; D350-D352 VanDerWaalsContact O-N 3.12Å
353	C	64.6	Low	81.5	Confident	77 Å²	77	46.9 Å²	46.9	52%	0.52	26%	0.264	S	S	.	.			trans	-87.3	143.4	178.9	-161.2	0	0	0	0	110.9	T349 D351 S355	T349-C353 PolarHBondContact N-O 3.37Å; T349-C353 PolarHBondContact OG1-O 2.85Å; D351-C353 PolarHBondContact O-N 3.46Å; C353-S355 PolarHBondContact O-N 3.47Å
354	L	72.7	Confident	81.6	Confident	81 Å²	81	47 Å²	47	42%	0.424	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	110.8	178.6	-163.8	74.4	0	0	0	109	M177 V346	M177-L354 HydrophobicContact CE-CD2 4.13Å; V346-L354 HydrophobicContact CG1-CD1 3.3Å; V346-L354 HydrophobicContact CG1-CD2 3.65Å; V346-L354 HydrophobicContact CG1-CG 3.23Å
355	S	79.4	Confident	81.7	Confident	36 Å²	36	46.2 Å²	46.2	25%	0.252	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	130.8	174.9	59.4	0	0	0	0	110.5	V346 S347 T349 C353	V346-S355 WeakPolarHBondContact CA-O 3.29Å; V346-S355 WeakPolarHBondContact CG1-O 3.24Å; S347-S355 PolarHBondContact N-O 3.44Å; S347-S355 PolarHBondContact O-N 2.96Å; S347-S355 PolarHBondContact O-OG 3.49Å; S347-S355 PolarHBondContact OG-OG 2.62Å; T349-S355 WeakPolarHBondContact CG2-OG 3.29Å; C353-S355 PolarHBondContact O-N 3.47Å
356	T	83.7	Confident	81.7	Confident	49 Å²	49	48.4 Å²	48.4	30%	0.301	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	138.3	174.2	56	0	0	0	0	109.9	V346 Q358	V346-T356 HydrophobicContact CG2-CG2 4.14Å; T356-Q358 PolarHBondContact O-N 3.03Å; T356-Q358 PolarHBondContact O-NE2 2.66Å; T356-Q358 VanDerWaalsContact O-NE2 3.14Å; T356-Q358 PolarHBondContact OG1-NE2 2.79Å; T356-Q358 VanDerWaalsContact OG1-NE2 3.08Å
357	D	85.8	Confident	81.9	Confident	23 Å²	23	48 Å²	48	12%	0.123	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-71.2	123.3	178.6	-162.2	-9.4	0	0	0	110.7	G345 S359 W360 R428	G345-D357 VanDerWaalsContact O-CB 3.25Å; G345-D357 WeakPolarHBondContact O-CB 3.3Å; G345-D357 PolarHBondContact O-N 2.82Å; D357-S359 PolarHBondContact OD1-N 3.37Å; D357-W360 VanDerWaalsContact OD2-CD1 3.3Å; D357-W360 PolarHBondContact OD2-NE1 3.45Å; D357-R428 IonicContact OD1-CZ 3.47Å; D357-R428 IonicContact OD1-NH1 2.64Å; D357-R428 PolarHBondContact OD1-NH1 3.5Å; D357-R428 IonicContact OD1-NH2 3.54Å; D357-R428 IonicContact OD2-CZ 3.02Å; D357-R428 IonicContact OD2-NE 3.87Å; D357-R428 IonicContact OD2-NH1 2.97Å; D357-R428 PolarHBondContact OD2-NH1 2.81Å; D357-R428 IonicContact OD2-NH2 2.88Å; D357-R428 PolarHBondContact OD2-NH2 3.25Å
358	Q	88.1	Confident	82	Confident	56 Å²	56	56.1 Å²	56.1	26%	0.262	30%	0.3	S	S	.	.			trans	-93.3	-23.4	-169.4	-59.3	-65.1	-34.7	0	0	112.9	T356 S389 G392 T393	T356-Q358 PolarHBondContact O-N 3.03Å; T356-Q358 PolarHBondContact O-NE2 2.66Å; T356-Q358 VanDerWaalsContact O-NE2 3.14Å; T356-Q358 PolarHBondContact OG1-NE2 2.79Å; T356-Q358 VanDerWaalsContact OG1-NE2 3.08Å; Q358-S389 PolarHBondContact NE2-O 2.86Å; Q358-S389 PolarHBondContact OE1-O 3.49Å; Q358-G392 CarbonylContact O-C 3.54Å; Q358-T393 WeakPolarHBondContact O-CA 3.43Å; Q358-T393 PolarHBondContact O-N 2.96Å; Q358-T393 PolarHBondContact O-OG1 3.02Å
359	S	89.3	Confident	82.4	Confident	22 Å²	22	55 Å²	55	15%	0.154	30%	0.299	C	S	.	.	S	Bend	trans	-84.8	-16.1	-163.5	98.8	0	0	0	0	114.2	D357 Y394 L395 R428	D357-S359 PolarHBondContact OD1-N 3.37Å; S359-Y394 PolarHBondContact O-N 3.17Å; S359-L395 PolarHBondContact O-N 3.06Å; S359-R428 WeakPolarHBondContact OG-CD 3.48Å; S359-R428 PolarHBondContact OG-NH1 2.93Å
360	W	93.6	Very high	83.1	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	154.5	-176.7	71.2	-82	0	0	0	112.6	L192 I343 G345 D357 C362 L395 L422 R428	L192-W360 HydrophobicContact CD2-CH2 3.99Å; L192-W360 HydrophobicContact CD2-CZ2 4.13Å; I343-W360 HydrophobicContact CG2-CH2 4.21Å; G345-W360 VanDerWaalsContact N-CZ2 3.29Å; D357-W360 VanDerWaalsContact OD2-CD1 3.3Å; D357-W360 PolarHBondContact OD2-NE1 3.45Å; W360-C362 HydrophobicContact CE3-CB 4.39Å; W360-C362 HydrophobicContact CZ3-CB 3.85Å; W360-L395 CarbonylContact C-O 3.59Å; W360-L395 WeakPolarHBondContact CA-O 3.14Å; W360-L395 HydrophobicContact CB-CB 3.87Å; W360-L422 HydrophobicContact CB-CD1 4.38Å; W360-L422 HydrophobicContact CD2-CB 3.74Å; W360-L422 HydrophobicContact CD2-CD1 3.96Å; W360-L422 HydrophobicContact CE3-CB 4.09Å; W360-L422 HydrophobicContact CE3-CD1 3.67Å; W360-L422 HydrophobicContact CG-CB 4.08Å; W360-L422 HydrophobicContact CG-CD1 4.28Å; W360-L422 HydrophobicContact CZ2-CB 4.24Å; W360-L422 HydrophobicContact CZ3-CD1 4.31Å; W360-L422 PolarHBondContact NE1-O 3.31Å; W360-R428 VanDerWaalsContact CD1-CD 3.49Å
361	I	93.1	Very high	83.6	Confident	9 Å²	9	53.3 Å²	53.3	5%	0.046	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	135.3	174.2	-164.8	165.7	0	0	0	110.3	L339 T342 K344 T393 L395 I396 V397	L339-I361 HydrophobicContact CD1-CD1 3.81Å; L339-I361 HydrophobicContact CD1-CG1 4.46Å; T342-I361 HydrophobicContact CG2-CD1 3.99Å; T342-I361 HydrophobicContact CG2-CG1 4.12Å; K344-I361 VanDerWaalsContact CE-CD1 3.5Å; K344-I361 HydrophobicContact CG-CG1 4.3Å; I361-T393 HydrophobicContact CB-CG2 4.32Å; I361-T393 HydrophobicContact CG2-CG2 3.81Å; I361-L395 PolarHBondContact N-O 3Å; I361-I396 HydrophobicContact CG2-CB 4.4Å; I361-I396 HydrophobicContact CG2-CG1 3.96Å; I361-I396 HydrophobicContact CG2-CG2 4.19Å; I361-I396 WeakPolarHBondContact O-CA 3.19Å; I361-V397 PolarHBondContact O-N 3.4Å
362	C	94.6	Very high	84.4	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	105.1	172.6	179.7	0	0	0	0	109.4	T342 I343 W360 V397 I399	T342-C362 CarbonylContact C-O 3.58Å; T342-C362 WeakPolarHBondContact CA-O 3.45Å; I343-C362 HydrophobicContact CB-CB 4.18Å; I343-C362 PolarHBondContact N-O 3.45Å; I343-C362 PolarHBondContact O-N 3.21Å; I343-C362 VanDerWaalsContact O-N 3.14Å; W360-C362 HydrophobicContact CE3-CB 4.39Å; W360-C362 HydrophobicContact CZ3-CB 3.85Å; C362-V397 CarbonylContact C-O 3.56Å; C362-V397 WeakPolarHBondContact CA-O 3.45Å; C362-V397 HydrophobicContact CB-CB 4.27Å; C362-I399 VanDerWaalsContact SG-CD1 3.55Å
363	A	94.1	Very high	85.9	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	142.8	173.7	0	0	0	0	0	110.9	L325 L339 V397 L398 I399	L325-A363 HydrophobicContact CD2-CB 4.44Å; L339-A363 HydrophobicContact CD1-CB 3.99Å; L339-A363 HydrophobicContact CD2-CB 4.15Å; A363-V397 PolarHBondContact N-O 3.23Å; A363-L398 HydrophobicContact CB-CD1 4.01Å; A363-L398 WeakPolarHBondContact O-CA 3.15Å; A363-I399 PolarHBondContact O-N 2.8Å
364	M	93.4	Very high	87.1	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	149.1	-179.4	68.4	-167.2	76.9	0	0	114.3	L194 K341 I343 I399 E411 I412	L194-M364 HydrophobicContact CD1-CE 4.35Å; L194-M364 HydrophobicContact CD1-SD 4.41Å; K341-M364 HydrophobicContact CB-CG 3.94Å; K341-M364 HydrophobicContact CD-CG 3.71Å; K341-M364 HydrophobicContact CD-SD 4Å; K341-M364 HydrophobicContact CG-CG 3.56Å; K341-M364 HydrophobicContact CG-SD 3.91Å; K341-M364 PolarHBondContact O-N 2.83Å; I343-M364 HydrophobicContact CB-CE 4.07Å; I343-M364 HydrophobicContact CD1-CE 3.52Å; I343-M364 HydrophobicContact CG1-CE 3.45Å; I343-M364 VanDerWaalsContact CG1-CE 3.45Å; M364-I399 CarbonylContact C-O 3.6Å; M364-I399 VanDerWaalsContact CA-O 3.24Å; M364-I399 WeakPolarHBondContact CA-O 3.16Å; M364-I399 HydrophobicContact CB-CB 4.19Å; M364-E411 HydrophobicContact CB-CB 3.95Å; M364-E411 HydrophobicContact CB-CG 4.03Å; M364-E411 HydrophobicContact CG-CB 4.32Å; M364-E411 HydrophobicContact CG-CG 3.89Å; M364-E411 HydrophobicContact SD-CB 4.27Å; M364-E411 HydrophobicContact SD-CG 3.86Å; M364-I412 HydrophobicContact SD-CG1 4.01Å
365	C	91.8	Very high	88	Confident	5 Å²	5	41.8 Å²	41.8	3%	0.034	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	161.6	171.4	67	0	0	0	0	112	L325 I399 I400 T401	L325-C365 HydrophobicContact CD2-CB 3.66Å; L325-C365 HydrophobicContact CG-CB 3.9Å; C365-I399 PolarHBondContact N-O 2.85Å; C365-I400 WeakPolarHBondContact O-CA 3.09Å; C365-T401 PolarHBondContact O-N 3.43Å; C365-T401 PolarHBondContact O-OG1 3.3Å
366	S	89.4	Confident	88.7	Confident	48 Å²	48	40 Å²	40	34%	0.336	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.4	174.3	64.3	0	0	0	0	110	T401	S366-T401 CarbonylContact C-O 3.45Å; S366-T401 WeakPolarHBondContact CA-O 3.37Å
367	L	88.2	Confident	89.2	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	150.4	-176.4	-60.3	170.8	0	0	0	111.8	E320 A321 I370 I400 T401 P402 T403	E320-L367 HydrophobicContact CB-CD2 4.14Å; E320-L367 HydrophobicContact CG-CD2 3.66Å; A321-L367 HydrophobicContact CB-CD1 3.63Å; A321-L367 HydrophobicContact CB-CD2 4.45Å; L367-I370 HydrophobicContact CB-CD1 4.11Å; L367-I370 HydrophobicContact CB-CG1 4Å; L367-I370 HydrophobicContact CB-CG2 4.4Å; L367-I370 HydrophobicContact CD1-CD1 4.41Å; L367-I370 HydrophobicContact CD1-CG2 4.28Å; L367-I400 HydrophobicContact CD1-CG2 3.38Å; L367-I400 HydrophobicContact CG-CG2 3.93Å; L367-T401 PolarHBondContact N-O 3.21Å; L367-P402 CarbonylContact O-C 3.28Å; L367-P402 WeakPolarHBondContact O-CA 3.26Å; L367-T403 PolarHBondContact O-N 3.05Å
368	R	83.1	Confident	89.6	Confident	204 Å²	204	36.8 Å²	36.8	77%	0.77	17%	0.174	S	C	*	.	S	Bend	trans	-82.8	-32.4	177.8	-67.8	-178.2	-177.8	-176.5	3	112.2	E320 I370 T403	E320-R368 PolarHBondContact OE1-N 2.76Å; R368-I370 VanDerWaalsContact C-N 3.34Å; R368-I370 PolarHBondContact O-N 2.93Å; R368-T403 HydrophobicContact CG-CG2 3.85Å
369	S	81.4	Confident	89.9	Confident	59 Å²	59	35 Å²	35	41%	0.413	17%	0.165	S	C	.	.	S	Bend	trans	-79.4	-14.2	-170.6	-54.7	0	0	0	0	114.2	E320	E320-S369 VanDerWaalsContact OE2-CB 3.27Å; E320-S369 WeakPolarHBondContact OE2-CB 3.28Å; E320-S369 PolarHBondContact OE2-OG 3.25Å
370	I	84.1	Confident	90.1	Very high	6 Å²	6	34.1 Å²	34.1	3%	0.031	16%	0.158	C	C	.	.			trans	-95	149.3	-179.2	68.2	177.8	0	0	0	112.2	F245 M317 L367 R368 Y374 I400 T401 P402	F245-I370 HydrophobicContact CE1-CG2 4.12Å; F245-I370 HydrophobicContact CZ-CG2 4.47Å; M317-I370 HydrophobicContact SD-CG2 4.07Å; L367-I370 HydrophobicContact CB-CD1 4.11Å; L367-I370 HydrophobicContact CB-CG1 4Å; L367-I370 HydrophobicContact CB-CG2 4.4Å; L367-I370 HydrophobicContact CD1-CD1 4.41Å; L367-I370 HydrophobicContact CD1-CG2 4.28Å; R368-I370 VanDerWaalsContact C-N 3.34Å; R368-I370 PolarHBondContact O-N 2.93Å; I370-Y374 HydrophobicContact CB-CE2 4.21Å; I370-Y374 HydrophobicContact CD1-CD2 4.26Å; I370-Y374 HydrophobicContact CG2-CE2 4.15Å; I370-I400 HydrophobicContact CD1-CB 4.29Å; I370-I400 HydrophobicContact CD1-CG2 3.42Å; I370-I400 VanDerWaalsContact CD1-CG2 3.42Å; I370-T401 VanDerWaalsContact CD1-C 3.47Å; I370-T401 WeakPolarHBondContact CD1-O 3.28Å; I370-P402 HydrophobicContact CG1-CB 4.1Å; I370-P402 WeakPolarHBondContact O-CB 3.26Å
371	H	79.9	Confident	89.9	Confident	184 Å²	184	37.9 Å²	37.9	85%	0.852	18%	0.179	S	C	*	.	S	Bend	trans	-110.8	-13.4	179	-63.6	-57.9	0	0	0	114.2
372	K	84.4	Confident	89.7	Confident	96 Å²	96	42.6 Å²	42.6	42%	0.417	20%	0.204	S	C	.	.	S	Bend	trans	-129.9	162.2	178.3	67.6	175.8	-173.4	169.5	0	110.2	Y374	K372-Y374 HydrophobicContact CD-CE1 4.28Å; K372-Y374 WeakPolarHBondContact CE-OH 3.45Å; K372-Y374 HydrophobicContact CG-CD2 4.48Å; K372-Y374 HydrophobicContact CG-CE1 4.23Å; K372-Y374 HydrophobicContact CG-CE2 3.82Å
373	R	88.9	Confident	89.5	Confident	20 Å²	20	45.5 Å²	45.5	8%	0.075	22%	0.223	C	C	.	.			trans	-80.2	139.9	175.3	-58.5	-174.9	-67.1	171.6	4.9	108.9	D214 M217 L375 I400 T401	D214-R373 IonicContact OD1-CZ 3.02Å; D214-R373 IonicContact OD1-NH1 3.37Å; D214-R373 PolarHBondContact OD1-NH1 3.48Å; D214-R373 IonicContact OD1-NH2 2.8Å; D214-R373 PolarHBondContact OD1-NH2 3.37Å; M217-R373 VanDerWaalsContact CE-CZ 3.45Å; M217-R373 PolarHBondContact SD-NH2 3.08Å; R373-L375 HydrophobicContact CB-CD1 4.36Å; R373-I400 CarbonylContact C-O 3.53Å; R373-I400 WeakPolarHBondContact CA-O 3.23Å; R373-T401 HydrophobicContact CG-CG2 4.17Å
374	Y	90.5	Very high	89.2	Confident	50 Å²	50	46.2 Å²	46.2	20%	0.196	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	135.4	171.5	-62.6	-89.4	0	0	0	109.1	I244 F245 I370 K372 I400	I244-Y374 HydrophobicContact CG2-CD1 3.55Å; I244-Y374 HydrophobicContact CG2-CD2 4.42Å; I244-Y374 HydrophobicContact CG2-CE1 4.28Å; I244-Y374 HydrophobicContact CG2-CG 3.61Å; F245-Y374 HydrophobicContact CE1-CD2 4.32Å; F245-Y374 HydrophobicContact CE1-CE2 4.04Å; I370-Y374 HydrophobicContact CB-CE2 4.21Å; I370-Y374 HydrophobicContact CD1-CD2 4.26Å; I370-Y374 HydrophobicContact CG2-CE2 4.15Å; K372-Y374 HydrophobicContact CD-CE1 4.28Å; K372-Y374 WeakPolarHBondContact CE-OH 3.45Å; K372-Y374 HydrophobicContact CG-CD2 4.48Å; K372-Y374 HydrophobicContact CG-CE1 4.23Å; K372-Y374 HydrophobicContact CG-CE2 3.82Å; Y374-I400 PolarHBondContact N-O 2.99Å; Y374-I400 PolarHBondContact O-N 3.29Å
375	L	92.2	Very high	88.9	Confident	9 Å²	9	50.9 Å²	50.9	5%	0.047	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	133.6	175.7	-66.2	90.1	0	0	0	108	M217 F218 A222 T223 R373 L398 V414 F418	M217-L375 HydrophobicContact CE-CD1 3.38Å; M217-L375 HydrophobicContact CE-CD2 4.41Å; F218-L375 HydrophobicContact CD2-CB 3.73Å; F218-L375 HydrophobicContact CD2-CD2 3.78Å; F218-L375 HydrophobicContact CD2-CG 4.38Å; F218-L375 HydrophobicContact CE2-CB 4.09Å; A222-L375 WeakPolarHBondContact CA-O 3.4Å; A222-L375 HydrophobicContact CB-CB 4.34Å; T223-L375 PolarHBondContact N-O 2.83Å; T223-L375 PolarHBondContact OG1-O 3.1Å; T223-L375 VanDerWaalsContact OG1-O 3.12Å; R373-L375 HydrophobicContact CB-CD1 4.36Å; L375-L398 WeakPolarHBondContact CA-O 3.35Å; L375-V414 HydrophobicContact CD2-CG1 3.58Å; L375-V414 HydrophobicContact CG-CG1 4.45Å; L375-F418 HydrophobicContact CD2-CD2 4.25Å; L375-F418 HydrophobicContact CD2-CE2 3.3Å; L375-F418 HydrophobicContact CD2-CZ 3.73Å
376	A	92.9	Very high	88.5	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	143.3	170.7	0	0	0	0	0	110.3	T223 M240 I244 V397 L398	T223-A376 CarbonylContact O-C 3.53Å; T223-A376 WeakPolarHBondContact O-CA 3.46Å; T223-A376 WeakPolarHBondContact OG1-CA 3.32Å; T223-A376 WeakPolarHBondContact OG1-CB 3.01Å; M240-A376 HydrophobicContact CE-CB 3.77Å; I244-A376 HydrophobicContact CD1-CB 3.71Å; I244-A376 HydrophobicContact CG1-CB 3.86Å; A376-V397 CarbonylContact O-C 3.47Å; A376-V397 WeakPolarHBondContact O-CA 3.5Å; A376-L398 HydrophobicContact CB-CB 4.27Å; A376-L398 PolarHBondContact N-O 2.78Å; A376-L398 PolarHBondContact O-N 3.12Å
377	L	94.6	Very high	88	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.021	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	120.6	166.9	179.6	156.2	0	0	0	107.2	F218 T223 L224 L225 I396 V397	F218-L377 HydrophobicContact CE2-CB 4.25Å; F218-L377 HydrophobicContact CZ-CB 3.81Å; F218-L377 HydrophobicContact CZ-CD1 4.34Å; T223-L377 PolarHBondContact O-N 2.93Å; L224-L377 WeakPolarHBondContact CA-O 3.37Å; L224-L377 HydrophobicContact CD2-CB 3.83Å; L224-L377 HydrophobicContact CD2-CD2 3.83Å; L224-L377 HydrophobicContact CD2-CG 4.31Å; L225-L377 PolarHBondContact N-O 2.58Å; L377-I396 WeakPolarHBondContact CA-O 3.16Å; L377-V397 HydrophobicContact CD1-CG2 4.32Å; L377-V397 HydrophobicContact CG-CG2 4.47Å
378	A	94.1	Very high	87.2	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.6	174.7	0	0	0	0	0	109.6	L225 L228 M240 L395 I396	L225-A378 HydrophobicContact CB-CB 4.16Å; L225-A378 CarbonylContact O-C 3.35Å; L225-A378 WeakPolarHBondContact O-CA 3.5Å; L228-A378 HydrophobicContact CD2-CB 4.01Å; M240-A378 HydrophobicContact CE-CB 3.7Å; M240-A378 HydrophobicContact CG-CB 4.05Å; M240-A378 HydrophobicContact SD-CB 3.76Å; A378-L395 WeakPolarHBondContact O-CA 3.42Å; A378-I396 HydrophobicContact CB-CB 4.48Å; A378-I396 PolarHBondContact N-O 3.01Å; A378-I396 PolarHBondContact O-N 3.23Å
379	R	94.7	Very high	86.7	Confident	17 Å²	17	52.4 Å²	52.4	6%	0.064	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	120.7	164.1	-179.5	178.5	73.2	-161.7	3.1	107.7	L225 D227 L228 Y394 L395 L431 L432 A434	L225-R379 PolarHBondContact O-N 2.74Å; D227-R379 WeakPolarHBondContact CA-O 3.44Å; D227-R379 VanDerWaalsContact CG-NH2 3.34Å; D227-R379 PolarHBondContact N-O 3.46Å; D227-R379 VanDerWaalsContact N-O 3.07Å; D227-R379 IonicContact OD1-CZ 3.25Å; D227-R379 VanDerWaalsContact OD1-CZ 3.25Å; D227-R379 IonicContact OD1-NE 2.91Å; D227-R379 PolarHBondContact OD1-NE 3.06Å; D227-R379 IonicContact OD1-NH2 2.8Å; D227-R379 PolarHBondContact OD1-NH2 2.75Å; D227-R379 IonicContact OD2-NH2 3.14Å; D227-R379 PolarHBondContact OD2-NH2 3.13Å; D227-R379 VanDerWaalsContact OD2-NH2 3.14Å; L228-R379 PolarHBondContact N-O 3.44Å; R379-Y394 WeakPolarHBondContact CA-O 3.14Å; R379-L395 HydrophobicContact CB-CD2 4.1Å; R379-L395 HydrophobicContact CG-CD2 4.23Å; R379-L431 PolarHBondContact NH1-O 2.92Å; R379-L432 HydrophobicContact CG-CD2 4.19Å; R379-L432 PolarHBondContact NH1-O 3.12Å; R379-A434 PolarHBondContact NH1-O 3.26Å; R379-A434 PolarHBondContact NH2-O 3.22Å
380	L	92.6	Very high	86.8	Confident	4 Å²	4	49.7 Å²	49.7	2%	0.021	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	141.4	176.7	-55.6	-176.9	0	0	0	110.4	L228 I236 N382 V384 F386 Y394 I396	L228-L380 HydrophobicContact CB-CD2 4.19Å; L228-L380 HydrophobicContact CD2-CD2 4.05Å; L228-L380 HydrophobicContact CG-CD2 4.37Å; L228-L380 WeakPolarHBondContact O-CA 3.36Å; I236-L380 HydrophobicContact CD1-CD1 3.96Å; I236-L380 HydrophobicContact CD1-CD2 3.97Å; I236-L380 HydrophobicContact CG1-CD2 4.17Å; I236-L380 HydrophobicContact CG2-CD2 4.08Å; L380-N382 VanDerWaalsContact C-N 3.33Å; L380-N382 WeakPolarHBondContact CB-O 3.46Å; L380-V384 HydrophobicContact CD1-CB 3.92Å; L380-V384 HydrophobicContact CD1-CG2 3.68Å; L380-F386 HydrophobicContact CD1-CZ 4.42Å; L380-Y394 PolarHBondContact N-O 3.18Å; L380-I396 HydrophobicContact CD1-CD1 4.08Å; L380-I396 HydrophobicContact CD2-CD1 4.19Å; L380-I396 HydrophobicContact CG-CD1 4.33Å
381	N	89.6	Confident	86.7	Confident	80 Å²	80	54.9 Å²	54.9	43%	0.428	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	-38.3	177.1	-171.6	17.2	0	0	0	111.9	L228 D229	L228-N381 PolarHBondContact O-N 2.84Å; L228-N381 VanDerWaalsContact O-N 3.16Å; D229-N381 WeakPolarHBondContact OD1-CB 3.2Å; D229-N381 PolarHBondContact OD1-ND2 3.39Å
382	N	89.7	Confident	87	Confident	107 Å²	107	47.2 Å²	47.2	57%	0.572	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-125.3	148.4	175.6	-67	-70.6	0	0	0	110.1	L380 V384	L380-N382 VanDerWaalsContact C-N 3.33Å; L380-N382 WeakPolarHBondContact CB-O 3.46Å; N382-V384 PolarHBondContact O-N 2.89Å
383	P	89.3	Confident	87.3	Confident	62 Å²	62	42.7 Å²	42.7	40%	0.403	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	133.3	176.5	25	-29.5	0	0	0	110.4	Y394	P383-Y394 HydrophobicContact CB-CD1 4.43Å; P383-Y394 HydrophobicContact CB-CD2 4.07Å; P383-Y394 HydrophobicContact CB-CE1 3.98Å; P383-Y394 HydrophobicContact CB-CE2 3.58Å; P383-Y394 HydrophobicContact CB-CG 4.48Å; P383-Y394 WeakPolarHBondContact CD-OH 3.44Å; P383-Y394 HydrophobicContact CG-CE1 4.11Å; P383-Y394 HydrophobicContact CG-CE2 4.09Å; P383-Y394 WeakPolarHBondContact CG-OH 3.19Å
384	V	89.2	Confident	87.5	Confident	14 Å²	14	45.4 Å²	45.4	9%	0.085	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	137.7	179	-178.2	0	0	0	0	110.4	G230 I236 L380 N382 F386 T393	G230-V384 WeakPolarHBondContact O-CG2 2.96Å; I236-V384 HydrophobicContact CD1-CB 4.47Å; I236-V384 HydrophobicContact CD1-CG1 4.37Å; I236-V384 HydrophobicContact CD1-CG2 4.15Å; L380-V384 HydrophobicContact CD1-CB 3.92Å; L380-V384 HydrophobicContact CD1-CG2 3.68Å; N382-V384 PolarHBondContact O-N 2.89Å; V384-F386 HydrophobicContact CB-CE1 4.13Å; V384-F386 HydrophobicContact CB-CZ 4.14Å; V384-F386 HydrophobicContact CG1-CD1 3.94Å; V384-F386 HydrophobicContact CG1-CE1 3.46Å; V384-F386 VanDerWaalsContact CG1-CE1 3.46Å; V384-F386 HydrophobicContact CG1-CZ 3.99Å; V384-T393 PolarHBondContact N-O 2.68Å; V384-T393 PolarHBondContact O-N 2.87Å
385	N	87	Confident	87.7	Confident	100 Å²	100	43 Å²	43	54%	0.535	23%	0.228	S	C	.	.			trans	-87	113.4	176.4	-172.5	-19.7	0	0	0	110.3	G387 S390 E391	N385-G387 WeakPolarHBondContact OD1-CA 3.46Å; N385-G387 PolarHBondContact OD1-N 2.67Å; N385-G387 PolarHBondContact OD1-O 2.77Å; N385-S390 WeakPolarHBondContact CA-O 3.43Å; N385-E391 WeakPolarHBondContact CA-O 3.26Å; N385-E391 WeakPolarHBondContact CB-O 3.42Å
386	F	83.9	Confident	87.8	Confident	48 Å²	48	42.7 Å²	42.7	21%	0.211	23%	0.226	C	C	.	.			trans	-102.7	13.3	173.8	-58.1	-45.7	0	0	0	113.6	L233 I236 L380 V384 S390 T393 I396	L233-F386 HydrophobicContact CB-CD1 3.94Å; L233-F386 HydrophobicContact CB-CE1 3.79Å; L233-F386 HydrophobicContact CD1-CD1 3.93Å; L233-F386 HydrophobicContact CD1-CE1 3.68Å; L233-F386 HydrophobicContact CD1-CE2 4.41Å; L233-F386 HydrophobicContact CD1-CG 4.41Å; L233-F386 HydrophobicContact CD1-CZ 3.94Å; L233-F386 HydrophobicContact CG-CD1 4.41Å; L233-F386 HydrophobicContact CG-CE1 4.33Å; I236-F386 HydrophobicContact CD1-CE1 4.01Å; I236-F386 HydrophobicContact CD1-CZ 3.74Å; L380-F386 HydrophobicContact CD1-CZ 4.42Å; V384-F386 HydrophobicContact CB-CE1 4.13Å; V384-F386 HydrophobicContact CB-CZ 4.14Å; V384-F386 HydrophobicContact CG1-CD1 3.94Å; V384-F386 HydrophobicContact CG1-CE1 3.46Å; V384-F386 VanDerWaalsContact CG1-CE1 3.46Å; V384-F386 HydrophobicContact CG1-CZ 3.99Å; F386-S390 PolarHBondContact N-O 2.85Å; F386-T393 HydrophobicContact CD2-CG2 4.05Å; F386-T393 HydrophobicContact CE2-CG2 3.84Å; F386-I396 HydrophobicContact CE2-CD1 3.7Å; F386-I396 HydrophobicContact CE2-CG1 4.26Å; F386-I396 HydrophobicContact CZ-CD1 3.76Å
387	G	78.5	Confident	87.8	Confident	32 Å²	32	42.7 Å²	42.7	33%	0.33	23%	0.226	S	C	.	.	S	Bend	trans	124.3	178.9	-179.8	0	0	0	0	0	112.6	N385 S389 S390 E391	N385-G387 WeakPolarHBondContact OD1-CA 3.46Å; N385-G387 PolarHBondContact OD1-N 2.67Å; N385-G387 PolarHBondContact OD1-O 2.77Å; G387-S389 PolarHBondContact O-N 3.49Å; G387-S390 CarbonylContact O-C 3.6Å; G387-S390 WeakPolarHBondContact O-CA 3.4Å; G387-S390 PolarHBondContact O-N 2.83Å; G387-E391 PolarHBondContact O-N 2.9Å
388	R	71.3	Confident	87.9	Confident	152 Å²	152	42.5 Å²	42.5	57%	0.574	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-25.3	-174	-72.4	-177	173	168.5	-1.8	115.7
389	S	73.1	Confident	87.9	Confident	57 Å²	57	42.5 Å²	42.5	40%	0.399	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-3.3	176.6	65.4	0	0	0	0	113.7	K344 Q358 G387	K344-S389 PolarHBondContact NZ-O 2.94Å; K344-S389 PolarHBondContact NZ-OG 2.94Å; Q358-S389 PolarHBondContact NE2-O 2.86Å; Q358-S389 PolarHBondContact OE1-O 3.49Å; G387-S389 PolarHBondContact O-N 3.49Å
390	S	81.7	Confident	87.8	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.007	22%	0.222	C	C	.	.			trans	-147.1	54.2	-175.5	-104.9	0	0	0	0	110.9	K344 N385 F386 G387 G392 T393	K344-S390 WeakPolarHBondContact CE-OG 3.42Å; K344-S390 VanDerWaalsContact NZ-CB 3.26Å; K344-S390 PolarHBondContact NZ-OG 2.77Å; N385-S390 WeakPolarHBondContact CA-O 3.43Å; F386-S390 PolarHBondContact N-O 2.85Å; G387-S390 CarbonylContact O-C 3.6Å; G387-S390 WeakPolarHBondContact O-CA 3.4Å; G387-S390 PolarHBondContact O-N 2.83Å; S390-G392 VanDerWaalsContact C-N 3.28Å; S390-G392 PolarHBondContact O-N 2.86Å; S390-T393 VanDerWaalsContact CB-OG1 3.24Å; S390-T393 WeakPolarHBondContact CB-OG1 3.12Å; S390-T393 PolarHBondContact O-OG1 2.95Å; S390-T393 PolarHBondContact OG-OG1 2.91Å
391	E	82.6	Confident	87.6	Confident	116 Å²	116	41.5 Å²	41.5	54%	0.542	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-25.5	-175.1	-62.8	-174.5	171.8	0	0	113	N385 G387	N385-E391 WeakPolarHBondContact CA-O 3.26Å; N385-E391 WeakPolarHBondContact CB-O 3.42Å; G387-E391 PolarHBondContact O-N 2.9Å
392	G	86.9	Confident	87.5	Confident	23 Å²	23	38.3 Å²	38.3	24%	0.237	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.9	61.2	-177.8	0	0	0	0	0	112.7	Q358 S390	Q358-G392 CarbonylContact O-C 3.54Å; S390-G392 VanDerWaalsContact C-N 3.28Å; S390-G392 PolarHBondContact O-N 2.86Å
393	T	90.6	Very high	87.1	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	126.8	-179.1	-51.6	0	0	0	0	110	Q358 I361 V384 F386 S390 I396	Q358-T393 WeakPolarHBondContact O-CA 3.43Å; Q358-T393 PolarHBondContact O-N 2.96Å; Q358-T393 PolarHBondContact O-OG1 3.02Å; I361-T393 HydrophobicContact CB-CG2 4.32Å; I361-T393 HydrophobicContact CG2-CG2 3.81Å; V384-T393 PolarHBondContact N-O 2.68Å; V384-T393 PolarHBondContact O-N 2.87Å; F386-T393 HydrophobicContact CD2-CG2 4.05Å; F386-T393 HydrophobicContact CE2-CG2 3.84Å; S390-T393 VanDerWaalsContact CB-OG1 3.24Å; S390-T393 WeakPolarHBondContact CB-OG1 3.12Å; S390-T393 PolarHBondContact O-OG1 2.95Å; S390-T393 PolarHBondContact OG-OG1 2.91Å; T393-I396 HydrophobicContact CG2-CG1 4.18Å
394	Y	92.7	Very high	86.3	Confident	77 Å²	77	42.4 Å²	42.4	30%	0.302	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	-34.2	173.9	-78.7	-85.8	0	0	0	112.8	S359 R379 L380 P383 L432	S359-Y394 PolarHBondContact O-N 3.17Å; R379-Y394 WeakPolarHBondContact CA-O 3.14Å; L380-Y394 PolarHBondContact N-O 3.18Å; P383-Y394 HydrophobicContact CB-CD1 4.43Å; P383-Y394 HydrophobicContact CB-CD2 4.07Å; P383-Y394 HydrophobicContact CB-CE1 3.98Å; P383-Y394 HydrophobicContact CB-CE2 3.58Å; P383-Y394 HydrophobicContact CB-CG 4.48Å; P383-Y394 WeakPolarHBondContact CD-OH 3.44Å; P383-Y394 HydrophobicContact CG-CE1 4.11Å; P383-Y394 HydrophobicContact CG-CE2 4.09Å; P383-Y394 WeakPolarHBondContact CG-OH 3.19Å; Y394-L432 HydrophobicContact CD1-CD2 4.15Å; Y394-L432 HydrophobicContact CG-CD2 4Å
395	L	94	Very high	85.4	Confident	1 Å²	1	44 Å²	44	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	126.2	-173.9	-65	171.4	0	0	0	110.5	S359 W360 I361 A378 R379 L422 R428 L431 L432	S359-L395 PolarHBondContact O-N 3.06Å; W360-L395 CarbonylContact C-O 3.59Å; W360-L395 WeakPolarHBondContact CA-O 3.14Å; W360-L395 HydrophobicContact CB-CB 3.87Å; I361-L395 PolarHBondContact N-O 3Å; A378-L395 WeakPolarHBondContact O-CA 3.42Å; R379-L395 HydrophobicContact CB-CD2 4.1Å; R379-L395 HydrophobicContact CG-CD2 4.23Å; L395-L422 HydrophobicContact CD1-CD2 4.16Å; L395-R428 HydrophobicContact CD1-CB 4.43Å; L395-R428 HydrophobicContact CD1-CG 4.23Å; L395-L431 HydrophobicContact CD1-CB 4.38Å; L395-L431 HydrophobicContact CD1-CD1 4.21Å; L395-L432 HydrophobicContact CD2-CD2 4.25Å; L395-L432 HydrophobicContact CG-CD2 4.24Å
396	I	94.1	Very high	84.5	Confident	1 Å²	1	42 Å²	42	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	119.1	176.6	-55.3	175.1	0	0	0	108.6	I236 M240 I361 L377 A378 L380 F386 T393	I236-I396 HydrophobicContact CG2-CD1 3.49Å; I236-I396 VanDerWaalsContact CG2-CD1 3.49Å; M240-I396 HydrophobicContact CE-CG2 4.16Å; M240-I396 HydrophobicContact SD-CB 4.25Å; M240-I396 HydrophobicContact SD-CG2 3.85Å; I361-I396 HydrophobicContact CG2-CB 4.4Å; I361-I396 HydrophobicContact CG2-CG1 3.96Å; I361-I396 HydrophobicContact CG2-CG2 4.19Å; I361-I396 WeakPolarHBondContact O-CA 3.19Å; L377-I396 WeakPolarHBondContact CA-O 3.16Å; A378-I396 HydrophobicContact CB-CB 4.48Å; A378-I396 PolarHBondContact N-O 3.01Å; A378-I396 PolarHBondContact O-N 3.23Å; L380-I396 HydrophobicContact CD1-CD1 4.08Å; L380-I396 HydrophobicContact CD2-CD1 4.19Å; L380-I396 HydrophobicContact CG-CD1 4.33Å; F386-I396 HydrophobicContact CE2-CD1 3.7Å; F386-I396 HydrophobicContact CE2-CG1 4.26Å; F386-I396 HydrophobicContact CZ-CD1 3.76Å; T393-I396 HydrophobicContact CG2-CG1 4.18Å
397	V	94.7	Very high	83.6	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	122.9	171	-178.4	0	0	0	0	108.1	I361 C362 A363 A376 L377 I399 F418 L422	I361-V397 PolarHBondContact O-N 3.4Å; C362-V397 CarbonylContact C-O 3.56Å; C362-V397 WeakPolarHBondContact CA-O 3.45Å; C362-V397 HydrophobicContact CB-CB 4.27Å; A363-V397 PolarHBondContact N-O 3.23Å; A376-V397 CarbonylContact O-C 3.47Å; A376-V397 WeakPolarHBondContact O-CA 3.5Å; L377-V397 HydrophobicContact CD1-CG2 4.32Å; L377-V397 HydrophobicContact CG-CG2 4.47Å; V397-I399 HydrophobicContact CG1-CD1 4.25Å; V397-I399 HydrophobicContact CG1-CG1 4.06Å; V397-F418 HydrophobicContact CG1-CB 4.18Å; V397-F418 HydrophobicContact CG1-CD2 4.42Å; V397-F418 HydrophobicContact CG1-CG 4.1Å; V397-L422 HydrophobicContact CG2-CD1 3.61Å
398	L	94.9	Very high	83.2	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	124.5	177	-178.8	60.2	0	0	0	110.1	M240 L241 I244 L325 A363 L375 A376 I400	M240-L398 HydrophobicContact CB-CD2 4.04Å; M240-L398 HydrophobicContact CE-CB 3.48Å; M240-L398 VanDerWaalsContact CE-CB 3.48Å; M240-L398 HydrophobicContact CE-CD2 4.3Å; M240-L398 HydrophobicContact SD-CB 4.44Å; L241-L398 HydrophobicContact CD2-CD2 4.11Å; I244-L398 HydrophobicContact CD1-CD2 3.67Å; I244-L398 HydrophobicContact CD1-CG 4.28Å; L325-L398 HydrophobicContact CD1-CD1 3.66Å; L325-L398 HydrophobicContact CD1-CD2 4.3Å; L325-L398 HydrophobicContact CD2-CD1 3.52Å; L325-L398 HydrophobicContact CG-CD1 4.25Å; A363-L398 HydrophobicContact CB-CD1 4.01Å; A363-L398 WeakPolarHBondContact O-CA 3.15Å; L375-L398 WeakPolarHBondContact CA-O 3.35Å; A376-L398 HydrophobicContact CB-CB 4.27Å; A376-L398 PolarHBondContact N-O 2.78Å; A376-L398 PolarHBondContact O-N 3.12Å; L398-I400 HydrophobicContact CD2-CD1 4.38Å; L398-I400 HydrophobicContact CG-CD1 4.49Å; L398-I400 HydrophobicContact CG-CG1 4.22Å
399	I	94.2	Very high	83.5	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	119.9	-178.1	-59.1	169.7	0	0	0	109.4	C362 A363 M364 C365 V397 T401 E411 V414 G415 F418	C362-I399 VanDerWaalsContact SG-CD1 3.55Å; A363-I399 PolarHBondContact O-N 2.8Å; M364-I399 CarbonylContact C-O 3.6Å; M364-I399 VanDerWaalsContact CA-O 3.24Å; M364-I399 WeakPolarHBondContact CA-O 3.16Å; M364-I399 HydrophobicContact CB-CB 4.19Å; C365-I399 PolarHBondContact N-O 2.85Å; V397-I399 HydrophobicContact CG1-CD1 4.25Å; V397-I399 HydrophobicContact CG1-CG1 4.06Å; I399-T401 HydrophobicContact CG2-CG2 4.08Å; I399-E411 HydrophobicContact CG2-CB 4.01Å; I399-V414 HydrophobicContact CD1-CB 4.12Å; I399-V414 HydrophobicContact CD1-CG1 3.77Å; I399-V414 HydrophobicContact CG1-CG1 4.26Å; I399-V414 HydrophobicContact CG2-CB 4.13Å; I399-V414 HydrophobicContact CG2-CG1 4.03Å; I399-G415 VanDerWaalsContact CD1-N 3.28Å; I399-F418 HydrophobicContact CD1-CD2 4.32Å
400	I	92.8	Very high	83.9	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	118.1	178.7	-45.9	-177.1	0	0	0	108.8	L241 I244 F245 C365 L367 I370 R373 Y374 L398	L241-I400 HydrophobicContact CD2-CD1 3.65Å; I244-I400 HydrophobicContact CD1-CD1 3.98Å; I244-I400 HydrophobicContact CG2-CD1 4.49Å; F245-I400 HydrophobicContact CZ-CD1 4.34Å; C365-I400 WeakPolarHBondContact O-CA 3.09Å; L367-I400 HydrophobicContact CD1-CG2 3.38Å; L367-I400 HydrophobicContact CG-CG2 3.93Å; I370-I400 HydrophobicContact CD1-CB 4.29Å; I370-I400 HydrophobicContact CD1-CG2 3.42Å; I370-I400 VanDerWaalsContact CD1-CG2 3.42Å; R373-I400 CarbonylContact C-O 3.53Å; R373-I400 WeakPolarHBondContact CA-O 3.23Å; Y374-I400 PolarHBondContact N-O 2.99Å; Y374-I400 PolarHBondContact O-N 3.29Å; L398-I400 HydrophobicContact CD2-CD1 4.38Å; L398-I400 HydrophobicContact CG-CD1 4.49Å; L398-I400 HydrophobicContact CG-CG1 4.22Å
401	T	89.9	Confident	84.1	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	149.4	-178	55	0	0	0	0	112.1	C365 S366 L367 I370 R373 I399 E411	C365-T401 PolarHBondContact O-N 3.43Å; C365-T401 PolarHBondContact O-OG1 3.3Å; S366-T401 CarbonylContact C-O 3.45Å; S366-T401 WeakPolarHBondContact CA-O 3.37Å; L367-T401 PolarHBondContact N-O 3.21Å; I370-T401 VanDerWaalsContact CD1-C 3.47Å; I370-T401 WeakPolarHBondContact CD1-O 3.28Å; R373-T401 HydrophobicContact CG-CG2 4.17Å; I399-T401 HydrophobicContact CG2-CG2 4.08Å; T401-E411 HydrophobicContact CG2-CB 3.73Å; T401-E411 PolarHBondContact OG1-OE2 3.45Å
402	P	87.5	Confident	84.3	Confident	12 Å²	12	30 Å²	30	8%	0.078	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	144.4	169.4	28.6	-31.8	0	0	0	109.9	L367 I370 K404 E405	L367-P402 CarbonylContact O-C 3.28Å; L367-P402 WeakPolarHBondContact O-CA 3.26Å; I370-P402 HydrophobicContact CG1-CB 4.1Å; I370-P402 WeakPolarHBondContact O-CB 3.26Å; P402-K404 PolarHBondContact O-N 2.84Å; P402-E405 HydrophobicContact CG-CB 4.11Å; P402-E405 HydrophobicContact CG-CG 4.44Å; P402-E405 WeakPolarHBondContact CG-OE2 3.35Å; P402-E405 PolarHBondContact O-N 3.49Å
403	T	80	Confident	84.2	Confident	68 Å²	68	29.2 Å²	29.2	42%	0.417	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-24.2	177.5	47.4	0	0	0	0	114.2	L367 R368	L367-T403 PolarHBondContact O-N 3.05Å; R368-T403 HydrophobicContact CG-CG2 3.85Å
404	K	72.3	Confident	84.2	Confident	187 Å²	187	29.3 Å²	29.3	81%	0.813	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.5	53.4	179.1	-64.4	-173.2	179.8	-177.7	0	112.2	P402	P402-K404 PolarHBondContact O-N 2.84Å
405	E	71.4	Confident	84.1	Confident	48 Å²	48	25.6 Å²	25.6	22%	0.224	13%	0.131	C	C	.	.			trans	-103	160.2	175.8	-157.6	62	-147.8	0	0	111.6	P402 K409	P402-E405 HydrophobicContact CG-CB 4.11Å; P402-E405 HydrophobicContact CG-CG 4.44Å; P402-E405 WeakPolarHBondContact CG-OE2 3.35Å; P402-E405 PolarHBondContact O-N 3.49Å; E405-K409 HydrophobicContact CG-CB 3.63Å; E405-K409 HydrophobicContact CG-CD 4.02Å; E405-K409 WeakPolarHBondContact OE1-CD 3.47Å; E405-K409 IonicContact OE1-NZ 2.63Å; E405-K409 PolarHBondContact OE1-NZ 3.4Å
406	K	66.9	Low	84	Confident	57 Å²	57	26 Å²	26	25%	0.248	13%	0.132	C	C	.	.			trans	-59.5	138.2	170.4	-54.6	-170.2	175.1	-172.7	0	109.8	T408 K409 S410 Q983	K406-T408 PolarHBondContact O-N 2.97Å; K406-T408 VanDerWaalsContact O-N 3.07Å; K406-K409 HydrophobicContact CB-CD 4.46Å; K406-K409 CarbonylContact O-C 3.55Å; K406-K409 WeakPolarHBondContact O-CA 3.32Å; K406-K409 WeakPolarHBondContact O-CB 3.36Å; K406-K409 PolarHBondContact O-N 2.94Å; K406-S410 PolarHBondContact O-N 3.4Å; K406-Q983 WeakPolarHBondContact CG-O 3.45Å
407	G	65.3	Low	83.9	Confident	20 Å²	20	25.9 Å²	25.9	21%	0.206	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-53.8	-33	178.9	0	0	0	0	0	114.5	K409 S410	G407-K409 PolarHBondContact O-N 2.99Å; G407-S410 VanDerWaalsContact O-CB 3.31Å; G407-S410 WeakPolarHBondContact O-CB 3.34Å; G407-S410 PolarHBondContact O-N 2.88Å; G407-S410 PolarHBondContact O-OG 3.17Å
408	T	70.2	Confident	83.8	Confident	24 Å²	24	26 Å²	26	15%	0.147	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-69.9	-8	175	51.7	0	0	0	0	115.1	K406 P988 I992 R993	K406-T408 PolarHBondContact O-N 2.97Å; K406-T408 VanDerWaalsContact O-N 3.07Å; T408-P988 HydrophobicContact CG2-CB 4.39Å; T408-I992 HydrophobicContact CG2-CG2 3.98Å; T408-R993 HydrophobicContact CG2-CG 4.46Å
409	K	76.8	Confident	83.7	Confident	47 Å²	47	26 Å²	26	20%	0.204	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-120.7	12.1	177.2	-67.1	-178.7	-179	-172.8	0	112	R210 E405 K406 G407	R210-K409 VanDerWaalsContact NH2-CE 3.34Å; E405-K409 HydrophobicContact CG-CB 3.63Å; E405-K409 HydrophobicContact CG-CD 4.02Å; E405-K409 WeakPolarHBondContact OE1-CD 3.47Å; E405-K409 IonicContact OE1-NZ 2.63Å; E405-K409 PolarHBondContact OE1-NZ 3.4Å; K406-K409 HydrophobicContact CB-CD 4.46Å; K406-K409 CarbonylContact O-C 3.55Å; K406-K409 WeakPolarHBondContact O-CA 3.32Å; K406-K409 WeakPolarHBondContact O-CB 3.36Å; K406-K409 PolarHBondContact O-N 2.94Å; G407-K409 PolarHBondContact O-N 2.99Å
410	S	82.6	Confident	83.6	Confident	25 Å²	25	26.1 Å²	26.1	18%	0.175	13%	0.134	C	C	.	.	S	Bend	trans	-57.4	157.9	176	60.2	0	0	0	0	111.2	K406 G407 I412 E413 V414	K406-S410 PolarHBondContact O-N 3.4Å; G407-S410 VanDerWaalsContact O-CB 3.31Å; G407-S410 WeakPolarHBondContact O-CB 3.34Å; G407-S410 PolarHBondContact O-N 2.88Å; G407-S410 PolarHBondContact O-OG 3.17Å; S410-I412 PolarHBondContact O-N 3.47Å; S410-E413 PolarHBondContact O-N 3.04Å; S410-E413 WeakPolarHBondContact OG-CG 3.25Å; S410-E413 PolarHBondContact OG-N 3.47Å; S410-V414 WeakPolarHBondContact O-CG2 3.43Å; S410-V414 PolarHBondContact O-N 3.29Å
411	E	86.7	Confident	83.6	Confident	25 Å²	25	26.2 Å²	26.2	12%	0.117	13%	0.134	C	C	.	.	H	α-helix	trans	-59.4	-30.5	178.4	63.4	-75.4	172	0	0	112.5	K341 M364 I399 T401 G415	K341-E411 IonicContact NZ-OE1 3.18Å; K341-E411 PolarHBondContact NZ-OE1 2.84Å; M364-E411 HydrophobicContact CB-CB 3.95Å; M364-E411 HydrophobicContact CB-CG 4.03Å; M364-E411 HydrophobicContact CG-CB 4.32Å; M364-E411 HydrophobicContact CG-CG 3.89Å; M364-E411 HydrophobicContact SD-CB 4.27Å; M364-E411 HydrophobicContact SD-CG 3.86Å; I399-E411 HydrophobicContact CG2-CB 4.01Å; T401-E411 HydrophobicContact CG2-CB 3.73Å; T401-E411 PolarHBondContact OG1-OE2 3.45Å; E411-G415 PolarHBondContact O-N 2.93Å
412	I	86.4	Confident	83.8	Confident	13 Å²	13	26.3 Å²	26.3	7%	0.067	13%	0.134	C	C	.	.	H	α-helix	trans	-68.2	-42.4	174.4	-59.6	171.4	0	0	0	110.7	L194 L200 K341 M364 S410 G415 R416	L194-I412 HydrophobicContact CD2-CD1 4.28Å; L200-I412 HydrophobicContact CD1-CG2 4.05Å; L200-I412 HydrophobicContact CD2-CG2 4.09Å; K341-I412 VanDerWaalsContact CE-CG1 3.48Å; M364-I412 HydrophobicContact SD-CG1 4.01Å; S410-I412 PolarHBondContact O-N 3.47Å; I412-G415 PolarHBondContact O-N 2.91Å; I412-R416 VanDerWaalsContact O-CB 3.24Å; I412-R416 WeakPolarHBondContact O-CB 3.34Å; I412-R416 PolarHBondContact O-N 3.29Å
413	E	84.9	Confident	83.8	Confident	8 Å²	8	26.4 Å²	26.4	4%	0.037	14%	0.135	C	C	.	.	H	α-helix	trans	-67.5	-39.8	179.4	-76.3	-67.2	171.2	0	0	112.7	K203 S410 R416 T417 R993	K203-E413 IonicContact NZ-OE2 3.61Å; K203-E413 PolarHBondContact NZ-OE2 2.75Å; S410-E413 PolarHBondContact O-N 3.04Å; S410-E413 WeakPolarHBondContact OG-CG 3.25Å; S410-E413 PolarHBondContact OG-N 3.47Å; E413-R416 IonicContact OE1-NH2 2.7Å; E413-R416 IonicContact OE2-CZ 3.94Å; E413-R416 IonicContact OE2-NE 3.76Å; E413-R416 PolarHBondContact OE2-NE 3.43Å; E413-R416 VanDerWaalsContact OE2-NE 3.17Å; E413-R416 IonicContact OE2-NH2 3.18Å; E413-R416 PolarHBondContact OE2-NH2 3.32Å; E413-T417 PolarHBondContact O-N 3.16Å; E413-T417 PolarHBondContact O-OG1 2.54Å; E413-R993 IonicContact OE1-CZ 2.77Å; E413-R993 IonicContact OE1-NE 3.17Å; E413-R993 PolarHBondContact OE1-NE 3.47Å; E413-R993 IonicContact OE1-NH2 3.05Å; E413-R993 PolarHBondContact OE1-NH2 2.64Å; E413-R993 IonicContact OE2-NE 3.63Å
414	V	88.9	Confident	84.3	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-67.8	-45.6	174.9	-178.5	0	0	0	0	109.3	L375 I399 S410 R416 T417 F418	L375-V414 HydrophobicContact CD2-CG1 3.58Å; L375-V414 HydrophobicContact CG-CG1 4.45Å; I399-V414 HydrophobicContact CD1-CB 4.12Å; I399-V414 HydrophobicContact CD1-CG1 3.77Å; I399-V414 HydrophobicContact CG1-CG1 4.26Å; I399-V414 HydrophobicContact CG2-CB 4.13Å; I399-V414 HydrophobicContact CG2-CG1 4.03Å; S410-V414 WeakPolarHBondContact O-CG2 3.43Å; S410-V414 PolarHBondContact O-N 3.29Å; V414-R416 VanDerWaalsContact C-N 3.29Å; V414-R416 PolarHBondContact O-N 3.34Å; V414-T417 WeakPolarHBondContact O-CA 3.43Å; V414-T417 VanDerWaalsContact O-CB 3.25Å; V414-T417 WeakPolarHBondContact O-CB 3.23Å; V414-T417 PolarHBondContact O-N 2.84Å; V414-F418 HydrophobicContact CG1-CD2 4.07Å; V414-F418 HydrophobicContact CG1-CE2 3.86Å; V414-F418 WeakPolarHBondContact O-CD2 3.31Å; V414-F418 PolarHBondContact O-N 2.92Å; V414-F418 VanDerWaalsContact O-N 3.17Å
415	G	91.8	Very high	85.1	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.4	-35.5	177.1	0	0	0	0	0	113.1	I399 E411 I412 T417 F418 G419	I399-G415 VanDerWaalsContact CD1-N 3.28Å; E411-G415 PolarHBondContact O-N 2.93Å; I412-G415 PolarHBondContact O-N 2.91Å; G415-T417 VanDerWaalsContact C-N 3.3Å; G415-T417 PolarHBondContact O-N 2.62Å; G415-F418 PolarHBondContact O-N 3.18Å; G415-G419 PolarHBondContact O-N 3.02Å
416	R	91.2	Very high	86	Confident	8 Å²	8	22 Å²	22	3%	0.03	12%	0.123	C	C	.	.	H	α-helix	trans	-64.2	-35.4	173	-168.5	168.4	73.8	115.1	1.1	112.2	L192 T201 E208 I412 E413 V414 T420	L192-R416 HydrophobicContact CD1-CG 4.14Å; T201-R416 VanDerWaalsContact O-CD 3.26Å; T201-R416 WeakPolarHBondContact O-CD 3.31Å; T201-R416 WeakPolarHBondContact O-CG 3.47Å; T201-R416 PolarHBondContact O-NH1 3.07Å; E208-R416 IonicContact OE1-CZ 2.8Å; E208-R416 IonicContact OE1-NH1 3.86Å; E208-R416 IonicContact OE1-NH2 3.2Å; E208-R416 PolarHBondContact OE1-NH2 3.26Å; E208-R416 IonicContact OE2-NH2 2.64Å; E208-R416 PolarHBondContact OE2-NH2 2.85Å; I412-R416 VanDerWaalsContact O-CB 3.24Å; I412-R416 WeakPolarHBondContact O-CB 3.34Å; I412-R416 PolarHBondContact O-N 3.29Å; E413-R416 IonicContact OE1-NH2 2.7Å; E413-R416 IonicContact OE2-CZ 3.94Å; E413-R416 IonicContact OE2-NE 3.76Å; E413-R416 PolarHBondContact OE2-NE 3.43Å; E413-R416 VanDerWaalsContact OE2-NE 3.17Å; E413-R416 IonicContact OE2-NH2 3.18Å; E413-R416 PolarHBondContact OE2-NH2 3.32Å; V414-R416 VanDerWaalsContact C-N 3.29Å; V414-R416 PolarHBondContact O-N 3.34Å; R416-T420 WeakPolarHBondContact O-CB 3.31Å; R416-T420 PolarHBondContact O-N 2.94Å; R416-T420 PolarHBondContact O-OG1 3.33Å
417	T	91.9	Very high	87.2	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-64.6	-51.6	176.2	-52.5	0	0	0	0	110.5	K203 F205 A211 D214 I215 E413 V414 G415 T420 I421	K203-T417 VanDerWaalsContact CE-OG1 3.3Å; K203-T417 WeakPolarHBondContact CE-OG1 3.47Å; F205-T417 HydrophobicContact CE1-CG2 4.03Å; F205-T417 HydrophobicContact CZ-CG2 3.66Å; A211-T417 HydrophobicContact CB-CG2 4.5Å; D214-T417 HydrophobicContact CB-CG2 4.49Å; I215-T417 HydrophobicContact CD1-CG2 4.14Å; I215-T417 HydrophobicContact CG1-CG2 4.28Å; E413-T417 PolarHBondContact O-N 3.16Å; E413-T417 PolarHBondContact O-OG1 2.54Å; V414-T417 WeakPolarHBondContact O-CA 3.43Å; V414-T417 VanDerWaalsContact O-CB 3.25Å; V414-T417 WeakPolarHBondContact O-CB 3.23Å; V414-T417 PolarHBondContact O-N 2.84Å; G415-T417 VanDerWaalsContact C-N 3.3Å; G415-T417 PolarHBondContact O-N 2.62Å; T417-T420 PolarHBondContact O-N 2.8Å; T417-I421 PolarHBondContact O-N 3.05Å
418	F	93.2	Very high	88.5	Confident	1 Å²	1	19.7 Å²	19.7	0%	0.004	11%	0.106	C	C	.	.	H	α-helix	trans	-68	-39.6	177.3	-72.9	-79.3	0	0	0	112.8	I215 F218 L375 V397 I399 V414 G415 T420 I421 L422	I215-F418 HydrophobicContact CD1-CE1 4Å; I215-F418 HydrophobicContact CD1-CZ 4.03Å; F218-F418 HydrophobicContact CB-CE1 4.4Å; F218-F418 HydrophobicContact CB-CZ 3.72Å; F218-F418 HydrophobicContact CD1-CE1 4.29Å; F218-F418 HydrophobicContact CD1-CZ 4.41Å; F218-F418 AromaticContact CD2-CE1 3.56Å; F218-F418 HydrophobicContact CD2-CE1 3.56Å; F218-F418 HydrophobicContact CD2-CE2 4.19Å; F218-F418 AromaticContact CD2-CZ 3.23Å; F218-F418 HydrophobicContact CD2-CZ 3.23Å; F218-F418 AromaticContact CE2-CE1 3.82Å; F218-F418 HydrophobicContact CE2-CE1 3.82Å; F218-F418 AromaticContact CE2-CZ 3.92Å; F218-F418 HydrophobicContact CE2-CZ 3.92Å; F218-F418 AromaticContact CG-CE1 3.82Å; F218-F418 HydrophobicContact CG-CE1 3.82Å; F218-F418 AromaticContact CG-CZ 3.53Å; F218-F418 HydrophobicContact CG-CZ 3.53Å; F218-F418 HydrophobicContact CZ-CE1 4.31Å; L375-F418 HydrophobicContact CD2-CD2 4.25Å; L375-F418 HydrophobicContact CD2-CE2 3.3Å; L375-F418 HydrophobicContact CD2-CZ 3.73Å; V397-F418 HydrophobicContact CG1-CB 4.18Å; V397-F418 HydrophobicContact CG1-CD2 4.42Å; V397-F418 HydrophobicContact CG1-CG 4.1Å; I399-F418 HydrophobicContact CD1-CD2 4.32Å; V414-F418 HydrophobicContact CG1-CD2 4.07Å; V414-F418 HydrophobicContact CG1-CE2 3.86Å; V414-F418 WeakPolarHBondContact O-CD2 3.31Å; V414-F418 PolarHBondContact O-N 2.92Å; V414-F418 VanDerWaalsContact O-N 3.17Å; G415-F418 PolarHBondContact O-N 3.18Å; F418-T420 PolarHBondContact O-N 2.7Å; F418-I421 PolarHBondContact O-N 2.98Å; F418-I421 VanDerWaalsContact O-N 3.12Å; F418-L422 WeakPolarHBondContact O-CB 3.48Å; F418-L422 WeakPolarHBondContact O-CG 3.5Å; F418-L422 PolarHBondContact O-N 2.97Å
419	G	92.6	Very high	89.5	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.5	-32.5	176.9	0	0	0	0	0	113	G415 S423	G415-G419 PolarHBondContact O-N 3.02Å; G419-S423 WeakPolarHBondContact O-CB 3.21Å; G419-S423 PolarHBondContact O-N 3.17Å
420	T	92.3	Very high	90.2	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.031	14%	0.135	C	C	.	.	H	α-helix	trans	-73.3	-30.7	175.6	-56.4	0	0	0	0	112.5	L202 K203 F205 R416 T417 F418 S423	L202-T420 HydrophobicContact CB-CG2 3.93Å; L202-T420 HydrophobicContact CD2-CG2 3.99Å; L202-T420 HydrophobicContact CG-CG2 4.47Å; K203-T420 HydrophobicContact CB-CG2 4.13Å; K203-T420 WeakPolarHBondContact CB-OG1 3.19Å; K203-T420 PolarHBondContact N-OG1 2.84Å; F205-T420 HydrophobicContact CD2-CG2 4.39Å; F205-T420 HydrophobicContact CE2-CG2 3.88Å; R416-T420 WeakPolarHBondContact O-CB 3.31Å; R416-T420 PolarHBondContact O-N 2.94Å; R416-T420 PolarHBondContact O-OG1 3.33Å; T417-T420 PolarHBondContact O-N 2.8Å; F418-T420 PolarHBondContact O-N 2.7Å; T420-S423 PolarHBondContact O-OG 3.41Å
421	I	92.7	Very high	90.7	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-74	-44.2	174.5	-70.4	173.7	0	0	0	109.9	F205 I215 T417 F418 S423 F427 L444 R447 A448 L451	F205-I421 HydrophobicContact CE1-CD1 4.05Å; F205-I421 HydrophobicContact CE1-CG1 4.32Å; F205-I421 HydrophobicContact CE2-CG1 4.09Å; F205-I421 HydrophobicContact CZ-CD1 3.65Å; F205-I421 HydrophobicContact CZ-CG1 3.55Å; I215-I421 HydrophobicContact CD1-CD1 3.3Å; I215-I421 HydrophobicContact CG1-CD1 3.96Å; T417-I421 PolarHBondContact O-N 3.05Å; F418-I421 PolarHBondContact O-N 2.98Å; F418-I421 VanDerWaalsContact O-N 3.12Å; I421-S423 VanDerWaalsContact C-N 3.29Å; I421-S423 PolarHBondContact O-N 2.82Å; I421-F427 HydrophobicContact CG2-CD1 3.69Å; I421-F427 HydrophobicContact CG2-CE1 3.22Å; I421-F427 HydrophobicContact CG2-CZ 3.83Å; I421-L444 HydrophobicContact CG2-CD2 3.98Å; I421-R447 HydrophobicContact CG2-CG 4.14Å; I421-A448 HydrophobicContact CD1-CB 4.5Å; I421-L451 HydrophobicContact CG1-CD1 3.99Å
422	L	93.2	Very high	90.9	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-77.2	-9.9	-178.4	-65.9	175.2	0	0	0	113.9	W360 L395 V397 F418 D424 F427 R428 L431	W360-L422 HydrophobicContact CB-CD1 4.38Å; W360-L422 HydrophobicContact CD2-CB 3.74Å; W360-L422 HydrophobicContact CD2-CD1 3.96Å; W360-L422 HydrophobicContact CE3-CB 4.09Å; W360-L422 HydrophobicContact CE3-CD1 3.67Å; W360-L422 HydrophobicContact CG-CB 4.08Å; W360-L422 HydrophobicContact CG-CD1 4.28Å; W360-L422 HydrophobicContact CZ2-CB 4.24Å; W360-L422 HydrophobicContact CZ3-CD1 4.31Å; W360-L422 PolarHBondContact NE1-O 3.31Å; L395-L422 HydrophobicContact CD1-CD2 4.16Å; V397-L422 HydrophobicContact CG2-CD1 3.61Å; F418-L422 WeakPolarHBondContact O-CB 3.48Å; F418-L422 WeakPolarHBondContact O-CG 3.5Å; F418-L422 PolarHBondContact O-N 2.97Å; L422-D424 PolarHBondContact O-N 3.42Å; L422-F427 HydrophobicContact CD2-CE1 4.29Å; L422-R428 HydrophobicContact CD2-CG 4.16Å; L422-R428 WeakPolarHBondContact O-CD 3.15Å; L422-R428 PolarHBondContact O-NE 2.77Å; L422-R428 VanDerWaalsContact O-NE 3.1Å; L422-L431 HydrophobicContact CD2-CD1 3.68Å
423	S	89.4	Confident	91.1	Very high	14 Å²	14	33.8 Å²	33.8	10%	0.098	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-19.9	175.4	57.7	0	0	0	0	112.7	G419 T420 I421 P425	G419-S423 WeakPolarHBondContact O-CB 3.21Å; G419-S423 PolarHBondContact O-N 3.17Å; T420-S423 PolarHBondContact O-OG 3.41Å; I421-S423 VanDerWaalsContact C-N 3.29Å; I421-S423 PolarHBondContact O-N 2.82Å; S423-P425 WeakPolarHBondContact O-CD 3.4Å
424	D	89.2	Confident	91.4	Very high	30 Å²	30	33.4 Å²	33.4	16%	0.16	17%	0.166	C	C	.	.			trans	-79.5	119	176	-175.3	-11.4	0	0	0	111.4	L422 I426 F427 R428 R447	L422-D424 PolarHBondContact O-N 3.42Å; D424-I426 WeakPolarHBondContact OD1-CB 3.46Å; D424-I426 PolarHBondContact OD1-N 2.92Å; D424-F427 HydrophobicContact CB-CB 3.93Å; D424-R428 WeakPolarHBondContact O-CG 3.26Å; D424-R428 PolarHBondContact O-N 3.36Å; D424-R428 PolarHBondContact O-NE 3.02Å; D424-R447 IonicContact OD2-CZ 3.02Å; D424-R447 IonicContact OD2-NE 3.11Å; D424-R447 PolarHBondContact OD2-NE 3.3Å; D424-R447 VanDerWaalsContact OD2-NE 3.11Å; D424-R447 IonicContact OD2-NH1 3.95Å; D424-R447 IonicContact OD2-NH2 2.65Å; D424-R447 PolarHBondContact OD2-NH2 3.13Å
425	P	89.2	Confident	91.5	Very high	74 Å²	74	38 Å²	38	48%	0.481	19%	0.194	S	C	.	.	H	α-helix	trans	-65.1	-34.1	176.8	27.1	-33.7	0	0	0	113.8	S423 R428 Q429	S423-P425 WeakPolarHBondContact O-CD 3.4Å; P425-R428 PolarHBondContact O-N 3.15Å; P425-Q429 PolarHBondContact O-N 3.32Å
426	I	90.1	Very high	91.4	Very high	108 Å²	108	42.5 Å²	42.5	55%	0.554	22%	0.218	S	C	*	.	H	α-helix	trans	-68.8	-48.5	-177.4	-60.6	173.1	0	0	0	109.2	D424 R428 Q429 E430	D424-I426 WeakPolarHBondContact OD1-CB 3.46Å; D424-I426 PolarHBondContact OD1-N 2.92Å; I426-R428 VanDerWaalsContact C-N 3.25Å; I426-R428 PolarHBondContact O-N 3.48Å; I426-Q429 WeakPolarHBondContact O-CB 3.32Å; I426-Q429 PolarHBondContact O-N 2.9Å; I426-E430 PolarHBondContact O-N 3.32Å; I426-E430 VanDerWaalsContact O-N 3.13Å
427	F	92.4	Very high	91.4	Very high	1 Å²	1	46 Å²	46	0%	0.004	24%	0.235	C	C	.	.	H	α-helix	trans	-59	-36.7	177	178.1	-106.8	0	0	0	112.8	I421 L422 D424 Q429 E430 L431 L443 L444 R447	I421-F427 HydrophobicContact CG2-CD1 3.69Å; I421-F427 HydrophobicContact CG2-CE1 3.22Å; I421-F427 HydrophobicContact CG2-CZ 3.83Å; L422-F427 HydrophobicContact CD2-CE1 4.29Å; D424-F427 HydrophobicContact CB-CB 3.93Å; F427-Q429 VanDerWaalsContact C-N 3.32Å; F427-Q429 PolarHBondContact O-N 3.42Å; F427-E430 PolarHBondContact O-N 3.08Å; F427-L431 HydrophobicContact CD1-CD1 4.01Å; F427-L431 HydrophobicContact CD1-CG 4.38Å; F427-L431 HydrophobicContact CE1-CD1 3.28Å; F427-L431 HydrophobicContact CE1-CD2 4.44Å; F427-L431 HydrophobicContact CE1-CG 3.74Å; F427-L431 HydrophobicContact CE2-CG 4.32Å; F427-L431 HydrophobicContact CZ-CD1 3.7Å; F427-L431 HydrophobicContact CZ-CD2 4Å; F427-L431 HydrophobicContact CZ-CG 3.7Å; F427-L431 PolarHBondContact O-N 2.96Å; F427-L443 HydrophobicContact CE2-CB 4.01Å; F427-L443 WeakPolarHBondContact CE2-O 3.49Å; F427-L444 HydrophobicContact CE1-CD2 3.99Å; F427-L444 HydrophobicContact CZ-CD2 3.67Å; F427-L444 HydrophobicContact CZ-CG 4.11Å; F427-R447 HydrophobicContact CB-CG 4.41Å; F427-R447 HydrophobicContact CD1-CG 4.29Å; F427-R447 HydrophobicContact CD2-CB 3.68Å; F427-R447 HydrophobicContact CD2-CG 3.63Å; F427-R447 HydrophobicContact CE2-CB 3.53Å; F427-R447 HydrophobicContact CE2-CG 3.93Å; F427-R447 HydrophobicContact CG-CB 4.35Å; F427-R447 HydrophobicContact CG-CG 3.82Å; F427-R447 HydrophobicContact CZ-CB 4.12Å; F427-R447 HydrophobicContact CZ-CG 4.41Å
428	R	92.5	Very high	91.3	Very high	27 Å²	27	54.4 Å²	54.4	10%	0.102	27%	0.271	C	S	.	.	H	α-helix	trans	-63.8	-38	175.6	-75.2	-178.9	-71.4	160.5	-17.2	112.2	D357 S359 W360 L395 L422 D424 P425 I426 L431 L432	D357-R428 IonicContact OD1-CZ 3.47Å; D357-R428 IonicContact OD1-NH1 2.64Å; D357-R428 PolarHBondContact OD1-NH1 3.5Å; D357-R428 IonicContact OD1-NH2 3.54Å; D357-R428 IonicContact OD2-CZ 3.02Å; D357-R428 IonicContact OD2-NE 3.87Å; D357-R428 IonicContact OD2-NH1 2.97Å; D357-R428 PolarHBondContact OD2-NH1 2.81Å; D357-R428 IonicContact OD2-NH2 2.88Å; D357-R428 PolarHBondContact OD2-NH2 3.25Å; S359-R428 WeakPolarHBondContact OG-CD 3.48Å; S359-R428 PolarHBondContact OG-NH1 2.93Å; W360-R428 VanDerWaalsContact CD1-CD 3.49Å; L395-R428 HydrophobicContact CD1-CB 4.43Å; L395-R428 HydrophobicContact CD1-CG 4.23Å; L422-R428 HydrophobicContact CD2-CG 4.16Å; L422-R428 WeakPolarHBondContact O-CD 3.15Å; L422-R428 PolarHBondContact O-NE 2.77Å; L422-R428 VanDerWaalsContact O-NE 3.1Å; D424-R428 WeakPolarHBondContact O-CG 3.26Å; D424-R428 PolarHBondContact O-N 3.36Å; D424-R428 PolarHBondContact O-NE 3.02Å; P425-R428 PolarHBondContact O-N 3.15Å; I426-R428 VanDerWaalsContact C-N 3.25Å; I426-R428 PolarHBondContact O-N 3.48Å; R428-L431 PolarHBondContact O-N 3.41Å; R428-L432 VanDerWaalsContact O-CG 3.31Å; R428-L432 WeakPolarHBondContact O-CG 3.39Å; R428-L432 PolarHBondContact O-N 3.47Å; R428-L432 VanDerWaalsContact O-N 3.08Å
429	Q	91	Very high	91.3	Very high	117 Å²	117	58.2 Å²	58.2	55%	0.547	29%	0.289	S	S	.	.	H	α-helix	trans	-63.7	-45	174.6	-68.8	178.6	-9.3	0	0	110.9	P425 I426 F427 L431 L432 F433	P425-Q429 PolarHBondContact O-N 3.32Å; I426-Q429 WeakPolarHBondContact O-CB 3.32Å; I426-Q429 PolarHBondContact O-N 2.9Å; F427-Q429 VanDerWaalsContact C-N 3.32Å; F427-Q429 PolarHBondContact O-N 3.42Å; Q429-L431 VanDerWaalsContact C-N 3.3Å; Q429-L431 PolarHBondContact O-N 3.46Å; Q429-L432 WeakPolarHBondContact O-CB 3.22Å; Q429-L432 PolarHBondContact O-N 2.86Å; Q429-F433 HydrophobicContact CB-CE2 4.48Å; Q429-F433 WeakPolarHBondContact O-CD2 3.42Å; Q429-F433 PolarHBondContact O-N 2.82Å; Q429-F433 VanDerWaalsContact O-N 3.09Å
430	E	93	Very high	91.3	Very high	88 Å²	88	58.2 Å²	58.2	41%	0.411	29%	0.289	S	S	.	.	H	α-helix	trans	-56.8	-42.9	175.6	-64.6	176.1	168.8	0	0	111.9	I426 F427 L432 F433 A434 L443	I426-E430 PolarHBondContact O-N 3.32Å; I426-E430 VanDerWaalsContact O-N 3.13Å; F427-E430 PolarHBondContact O-N 3.08Å; E430-L432 VanDerWaalsContact C-N 3.31Å; E430-L432 PolarHBondContact O-N 3.38Å; E430-F433 PolarHBondContact O-N 3.13Å; E430-A434 PolarHBondContact O-N 2.73Å; E430-L443 HydrophobicContact CB-CD1 4.25Å; E430-L443 HydrophobicContact CB-CD2 4.44Å
431	L	92.2	Very high	91.3	Very high	4 Å²	4	60.1 Å²	60.1	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-63.1	-33.8	174.5	-80.4	-179.5	0	0	0	113.8	R379 L395 L422 F427 R428 Q429 F433 V440	R379-L431 PolarHBondContact NH1-O 2.92Å; L395-L431 HydrophobicContact CD1-CB 4.38Å; L395-L431 HydrophobicContact CD1-CD1 4.21Å; L422-L431 HydrophobicContact CD2-CD1 3.68Å; F427-L431 HydrophobicContact CD1-CD1 4.01Å; F427-L431 HydrophobicContact CD1-CG 4.38Å; F427-L431 HydrophobicContact CE1-CD1 3.28Å; F427-L431 HydrophobicContact CE1-CD2 4.44Å; F427-L431 HydrophobicContact CE1-CG 3.74Å; F427-L431 HydrophobicContact CE2-CG 4.32Å; F427-L431 HydrophobicContact CZ-CD1 3.7Å; F427-L431 HydrophobicContact CZ-CD2 4Å; F427-L431 HydrophobicContact CZ-CG 3.7Å; F427-L431 PolarHBondContact O-N 2.96Å; R428-L431 PolarHBondContact O-N 3.41Å; Q429-L431 VanDerWaalsContact C-N 3.3Å; Q429-L431 PolarHBondContact O-N 3.46Å; L431-F433 VanDerWaalsContact C-N 3.34Å; L431-V440 HydrophobicContact CD2-CB 4.4Å; L431-V440 HydrophobicContact CD2-CG1 3.76Å; L431-V440 HydrophobicContact CD2-CG2 4.36Å
432	L	90.9	Very high	91.3	Very high	51 Å²	51	65.8 Å²	65.8	27%	0.267	33%	0.326	S	S	.	.	H	α-helix	trans	-70.7	-32.8	177.3	-68.5	172.3	0	0	0	111.7	R379 Y394 L395 R428 Q429 E430	R379-L432 HydrophobicContact CG-CD2 4.19Å; R379-L432 PolarHBondContact NH1-O 3.12Å; Y394-L432 HydrophobicContact CD1-CD2 4.15Å; Y394-L432 HydrophobicContact CG-CD2 4Å; L395-L432 HydrophobicContact CD2-CD2 4.25Å; L395-L432 HydrophobicContact CG-CD2 4.24Å; R428-L432 VanDerWaalsContact O-CG 3.31Å; R428-L432 WeakPolarHBondContact O-CG 3.39Å; R428-L432 PolarHBondContact O-N 3.47Å; R428-L432 VanDerWaalsContact O-N 3.08Å; Q429-L432 WeakPolarHBondContact O-CB 3.22Å; Q429-L432 PolarHBondContact O-N 2.86Å; E430-L432 VanDerWaalsContact C-N 3.31Å; E430-L432 PolarHBondContact O-N 3.38Å
433	F	91.1	Very high	91.3	Very high	169 Å²	169	67.4 Å²	67.4	74%	0.741	34%	0.335	S	S	*	.	H	α-helix	trans	-89.8	-12.5	-179.4	-68.9	-65.9	0	0	0	114.9	Q429 E430 L431 T435	Q429-F433 HydrophobicContact CB-CE2 4.48Å; Q429-F433 WeakPolarHBondContact O-CD2 3.42Å; Q429-F433 PolarHBondContact O-N 2.82Å; Q429-F433 VanDerWaalsContact O-N 3.09Å; E430-F433 PolarHBondContact O-N 3.13Å; L431-F433 VanDerWaalsContact C-N 3.34Å; F433-T435 PolarHBondContact O-N 2.63Å
434	A	91.2	Very high	91.4	Very high	1 Å²	1	66.8 Å²	66.8	1%	0.008	33%	0.33	C	S	.	.			trans	-60	130.1	178.8	0	0	0	0	0	112.2	R379 E430 E439 V440 L443	R379-A434 PolarHBondContact NH1-O 3.26Å; R379-A434 PolarHBondContact NH2-O 3.22Å; E430-A434 PolarHBondContact O-N 2.73Å; A434-E439 VanDerWaalsContact CA-OE2 3.32Å; A434-E439 WeakPolarHBondContact CA-OE2 3.33Å; A434-E439 HydrophobicContact CB-CB 4.35Å; A434-E439 HydrophobicContact CB-CG 4.02Å; A434-V440 HydrophobicContact CB-CG2 3.61Å; A434-L443 HydrophobicContact CB-CD1 3.93Å
435	T	89.8	Confident	91.5	Very high	96 Å²	96	69.3 Å²	69.3	59%	0.589	34%	0.338	S	S	*	.			trans	-84.5	-38	-175.2	67.8	0	0	0	0	112.2	F433 E439	F433-T435 PolarHBondContact O-N 2.63Å; T435-E439 PolarHBondContact N-OE2 3.31Å
436	D	90.9	Very high	91.7	Very high	95 Å²	95	69.6 Å²	69.6	51%	0.508	34%	0.335	S	S	.	.	S	Bend	trans	-120	154.7	-167.1	-67.7	3.3	0	0	0	112.4	K438 E439 V440	D436-K438 PolarHBondContact O-N 2.91Å; D436-E439 WeakPolarHBondContact O-CB 3.48Å; D436-E439 PolarHBondContact O-N 3.18Å; D436-E439 VanDerWaalsContact O-N 3.07Å; D436-V440 PolarHBondContact O-N 3.09Å; D436-V440 VanDerWaalsContact O-N 3.13Å
437	E	90.4	Very high	91.9	Very high	82 Å²	82	65.7 Å²	65.7	38%	0.383	31%	0.314	S	S	.	.	H	α-helix	trans	-56.4	-37.2	174.7	-166.7	-169.3	155.4	0	0	112.5	L224 E439 V440 K441	L224-E437 HydrophobicContact CB-CG 3.71Å; L224-E437 HydrophobicContact CD1-CG 3.27Å; L224-E437 HydrophobicContact CG-CG 4.09Å; E437-E439 VanDerWaalsContact C-N 3.33Å; E437-V440 PolarHBondContact O-N 3.26Å; E437-K441 HydrophobicContact CG-CD 4.42Å; E437-K441 WeakPolarHBondContact O-CG 3.5Å; E437-K441 PolarHBondContact O-N 3.05Å; E437-K441 WeakPolarHBondContact OE1-CE 3.5Å; E437-K441 IonicContact OE1-NZ 3.75Å; E437-K441 PolarHBondContact OE1-NZ 3.43Å
438	K	90	Very high	91.9	Very high	176 Å²	176	65.7 Å²	65.7	77%	0.765	31%	0.314	S	S	*	.	H	α-helix	trans	-64.8	-38.9	178.8	-68.9	179.7	-177.9	171.8	0	111.8	D436 K441 L442	D436-K438 PolarHBondContact O-N 2.91Å; K438-K441 PolarHBondContact O-N 3.34Å; K438-L442 WeakPolarHBondContact O-CB 2.99Å; K438-L442 PolarHBondContact O-N 2.97Å
439	E	93	Very high	91.8	Very high	81 Å²	81	67.9 Å²	67.9	38%	0.379	33%	0.325	S	S	.	.	H	α-helix	trans	-68	-46	178.5	-173.3	176.4	-161.6	0	0	110.4	A434 T435 D436 E437 K441 L442 L443	A434-E439 VanDerWaalsContact CA-OE2 3.32Å; A434-E439 WeakPolarHBondContact CA-OE2 3.33Å; A434-E439 HydrophobicContact CB-CB 4.35Å; A434-E439 HydrophobicContact CB-CG 4.02Å; T435-E439 PolarHBondContact N-OE2 3.31Å; D436-E439 WeakPolarHBondContact O-CB 3.48Å; D436-E439 PolarHBondContact O-N 3.18Å; D436-E439 VanDerWaalsContact O-N 3.07Å; E437-E439 VanDerWaalsContact C-N 3.33Å; E439-K441 VanDerWaalsContact C-N 3.31Å; E439-K441 PolarHBondContact O-N 3.2Å; E439-L442 WeakPolarHBondContact O-CB 3.33Å; E439-L442 PolarHBondContact O-N 2.79Å; E439-L442 VanDerWaalsContact O-N 3.08Å; E439-L443 HydrophobicContact CG-CD1 4.17Å; E439-L443 HydrophobicContact CG-CG 4.43Å; E439-L443 WeakPolarHBondContact O-CB 3.42Å; E439-L443 WeakPolarHBondContact O-CG 3.29Å; E439-L443 PolarHBondContact O-N 2.93Å
440	V	92.2	Very high	91.8	Very high	1 Å²	1	66 Å²	66	1%	0.006	32%	0.316	C	S	.	.	H	α-helix	trans	-56.9	-44.7	174.5	172	0	0	0	0	111.8	L224 L226 L431 A434 D436 E437 L442 L443 L444	L224-V440 HydrophobicContact CD1-CG1 4.45Å; L224-V440 HydrophobicContact CD2-CG1 3.79Å; L226-V440 HydrophobicContact CD2-CG2 4Å; L431-V440 HydrophobicContact CD2-CB 4.4Å; L431-V440 HydrophobicContact CD2-CG1 3.76Å; L431-V440 HydrophobicContact CD2-CG2 4.36Å; A434-V440 HydrophobicContact CB-CG2 3.61Å; D436-V440 PolarHBondContact O-N 3.09Å; D436-V440 VanDerWaalsContact O-N 3.13Å; E437-V440 PolarHBondContact O-N 3.26Å; V440-L442 VanDerWaalsContact C-N 3.34Å; V440-L442 PolarHBondContact O-N 2.84Å; V440-L443 PolarHBondContact O-N 3.45Å; V440-L444 HydrophobicContact CG1-CD1 4.03Å; V440-L444 WeakPolarHBondContact O-CB 3.44Å; V440-L444 WeakPolarHBondContact O-CG 3.37Å; V440-L444 PolarHBondContact O-N 3.17Å
441	K	92.6	Very high	91.7	Very high	45 Å²	45	62.5 Å²	62.5	20%	0.196	30%	0.3	C	S	.	.	H	α-helix	trans	-61.9	-41.2	176.2	-78	173	167.5	169.9	0	112.2	I219 L224 E437 K438 E439 W445	I219-K441 HydrophobicContact CG2-CB 4.39Å; I219-K441 HydrophobicContact CG2-CD 4.4Å; I219-K441 HydrophobicContact CG2-CG 4.46Å; I219-K441 WeakPolarHBondContact O-CE 3.37Å; I219-K441 PolarHBondContact O-NZ 3.02Å; L224-K441 HydrophobicContact CD1-CD 4.21Å; L224-K441 HydrophobicContact CD1-CG 3.82Å; E437-K441 HydrophobicContact CG-CD 4.42Å; E437-K441 WeakPolarHBondContact O-CG 3.5Å; E437-K441 PolarHBondContact O-N 3.05Å; E437-K441 WeakPolarHBondContact OE1-CE 3.5Å; E437-K441 IonicContact OE1-NZ 3.75Å; E437-K441 PolarHBondContact OE1-NZ 3.43Å; K438-K441 PolarHBondContact O-N 3.34Å; E439-K441 VanDerWaalsContact C-N 3.31Å; E439-K441 PolarHBondContact O-N 3.2Å; K441-W445 PolarHBondContact O-N 2.91Å; K441-W445 VanDerWaalsContact O-N 3.13Å
442	L	92.5	Very high	91.5	Very high	119 Å²	119	63 Å²	63	62%	0.623	31%	0.305	S	S	*	.	H	α-helix	trans	-67.3	-45.5	178.5	-174.5	67.5	0	0	0	111.5	K438 E439 V440 L444 W445 D446	K438-L442 WeakPolarHBondContact O-CB 2.99Å; K438-L442 PolarHBondContact O-N 2.97Å; E439-L442 WeakPolarHBondContact O-CB 3.33Å; E439-L442 PolarHBondContact O-N 2.79Å; E439-L442 VanDerWaalsContact O-N 3.08Å; V440-L442 VanDerWaalsContact C-N 3.34Å; V440-L442 PolarHBondContact O-N 2.84Å; L442-L444 PolarHBondContact O-N 3.16Å; L442-W445 WeakPolarHBondContact O-CB 3.34Å; L442-W445 PolarHBondContact O-N 3.12Å; L442-D446 WeakPolarHBondContact O-CB 3.48Å; L442-D446 PolarHBondContact O-N 3.09Å
443	L	93.5	Very high	91.3	Very high	36 Å²	36	63.2 Å²	63.2	19%	0.188	31%	0.314	C	S	.	.	H	α-helix	trans	-59.5	-45.9	177.2	-73.5	173	0	0	0	111.5	F427 E430 A434 E439 V440 W445 D446 R447	F427-L443 HydrophobicContact CE2-CB 4.01Å; F427-L443 WeakPolarHBondContact CE2-O 3.49Å; E430-L443 HydrophobicContact CB-CD1 4.25Å; E430-L443 HydrophobicContact CB-CD2 4.44Å; A434-L443 HydrophobicContact CB-CD1 3.93Å; E439-L443 HydrophobicContact CG-CD1 4.17Å; E439-L443 HydrophobicContact CG-CG 4.43Å; E439-L443 WeakPolarHBondContact O-CB 3.42Å; E439-L443 WeakPolarHBondContact O-CG 3.29Å; E439-L443 PolarHBondContact O-N 2.93Å; V440-L443 PolarHBondContact O-N 3.45Å; L443-W445 VanDerWaalsContact C-N 3.32Å; L443-W445 PolarHBondContact O-N 3.48Å; L443-D446 PolarHBondContact O-N 3.25Å; L443-R447 WeakPolarHBondContact O-CB 3.41Å; L443-R447 PolarHBondContact O-N 3.05Å
444	L	92.3	Very high	91.1	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-61.1	-40.9	176.1	-77.2	166.9	0	0	0	112.4	F218 I421 F427 V440 L442 A448	F218-L444 HydrophobicContact CD1-CD1 3.92Å; F218-L444 HydrophobicContact CE1-CD1 3.35Å; F218-L444 HydrophobicContact CZ-CD1 4.11Å; I421-L444 HydrophobicContact CG2-CD2 3.98Å; F427-L444 HydrophobicContact CE1-CD2 3.99Å; F427-L444 HydrophobicContact CZ-CD2 3.67Å; F427-L444 HydrophobicContact CZ-CG 4.11Å; V440-L444 HydrophobicContact CG1-CD1 4.03Å; V440-L444 WeakPolarHBondContact O-CB 3.44Å; V440-L444 WeakPolarHBondContact O-CG 3.37Å; V440-L444 PolarHBondContact O-N 3.17Å; L442-L444 PolarHBondContact O-N 3.16Å; L444-A448 WeakPolarHBondContact O-CB 3.4Å; L444-A448 PolarHBondContact O-N 2.98Å; L444-A448 VanDerWaalsContact O-N 3.12Å
445	W	91.5	Very high	90.7	Very high	84 Å²	84	61.3 Å²	61.3	32%	0.318	31%	0.307	S	S	.	.	H	α-helix	trans	-64.5	-50.8	176.7	-176.3	-105.2	0	0	0	111.5	I215 D216 I219 K441 L442 L443 R447 A448 Q449	I215-W445 HydrophobicContact CG2-CE3 3.98Å; D216-W445 WeakPolarHBondContact OD1-CH2 3.48Å; D216-W445 WeakPolarHBondContact OD1-CZ3 3.49Å; I219-W445 HydrophobicContact CD1-CB 3.77Å; I219-W445 HydrophobicContact CD1-CD2 4.05Å; I219-W445 HydrophobicContact CD1-CE3 3.43Å; I219-W445 VanDerWaalsContact CD1-CE3 3.43Å; I219-W445 HydrophobicContact CD1-CG 4.23Å; I219-W445 HydrophobicContact CD1-CZ3 4.29Å; K441-W445 PolarHBondContact O-N 2.91Å; K441-W445 VanDerWaalsContact O-N 3.13Å; L442-W445 WeakPolarHBondContact O-CB 3.34Å; L442-W445 PolarHBondContact O-N 3.12Å; L443-W445 VanDerWaalsContact C-N 3.32Å; L443-W445 PolarHBondContact O-N 3.48Å; W445-R447 VanDerWaalsContact C-N 3.35Å; W445-R447 PolarHBondContact O-N 3.2Å; W445-A448 PolarHBondContact O-N 2.85Å; W445-Q449 WeakPolarHBondContact O-CG 3.44Å; W445-Q449 PolarHBondContact O-N 3.31Å
446	D	93.1	Very high	90.3	Very high	80 Å²	80	58.7 Å²	58.7	43%	0.428	29%	0.293	S	S	.	.	H	α-helix	trans	-61.2	-45.3	-178.5	-169.9	58.9	0	0	0	110.8	L442 L443 A448 Q449 Q450	L442-D446 WeakPolarHBondContact O-CB 3.48Å; L442-D446 PolarHBondContact O-N 3.09Å; L443-D446 PolarHBondContact O-N 3.25Å; D446-A448 VanDerWaalsContact C-N 3.33Å; D446-A448 PolarHBondContact O-N 3.42Å; D446-Q449 PolarHBondContact O-N 3.39Å; D446-Q450 WeakPolarHBondContact O-CG 3.23Å; D446-Q450 PolarHBondContact O-N 2.88Å; D446-Q450 PolarHBondContact OD2-NE2 3.4Å
447	R	93.3	Very high	89.8	Confident	26 Å²	26	57 Å²	57	10%	0.098	29%	0.286	C	S	.	.	H	α-helix	trans	-60.8	-40.6	177.2	-171.3	65.2	-173.1	132.9	1.2	112.7	I421 D424 F427 L443 W445 Q449 Q450 L451	I421-R447 HydrophobicContact CG2-CG 4.14Å; D424-R447 IonicContact OD2-CZ 3.02Å; D424-R447 IonicContact OD2-NE 3.11Å; D424-R447 PolarHBondContact OD2-NE 3.3Å; D424-R447 VanDerWaalsContact OD2-NE 3.11Å; D424-R447 IonicContact OD2-NH1 3.95Å; D424-R447 IonicContact OD2-NH2 2.65Å; D424-R447 PolarHBondContact OD2-NH2 3.13Å; F427-R447 HydrophobicContact CB-CG 4.41Å; F427-R447 HydrophobicContact CD1-CG 4.29Å; F427-R447 HydrophobicContact CD2-CB 3.68Å; F427-R447 HydrophobicContact CD2-CG 3.63Å; F427-R447 HydrophobicContact CE2-CB 3.53Å; F427-R447 HydrophobicContact CE2-CG 3.93Å; F427-R447 HydrophobicContact CG-CB 4.35Å; F427-R447 HydrophobicContact CG-CG 3.82Å; F427-R447 HydrophobicContact CZ-CB 4.12Å; F427-R447 HydrophobicContact CZ-CG 4.41Å; L443-R447 WeakPolarHBondContact O-CB 3.41Å; L443-R447 PolarHBondContact O-N 3.05Å; W445-R447 VanDerWaalsContact C-N 3.35Å; W445-R447 PolarHBondContact O-N 3.2Å; R447-Q449 VanDerWaalsContact C-N 3.32Å; R447-Q449 PolarHBondContact O-N 3.26Å; R447-Q450 VanDerWaalsContact NH1-OE1 3.11Å; R447-Q450 PolarHBondContact O-N 3.14Å; R447-L451 HydrophobicContact CG-CD1 4.34Å; R447-L451 WeakPolarHBondContact O-CB 3.29Å; R447-L451 WeakPolarHBondContact O-CG 3.22Å; R447-L451 PolarHBondContact O-N 3.14Å
448	A	92.1	Very high	89	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-62.1	-39.8	175.3	0	0	0	0	0	112.1	F205 I215 I421 L444 W445 D446 A452	F205-A448 HydrophobicContact CD1-CB 4.02Å; F205-A448 HydrophobicContact CE1-CB 3.87Å; I215-A448 HydrophobicContact CG1-CB 4.14Å; I215-A448 HydrophobicContact CG2-CB 4.28Å; I421-A448 HydrophobicContact CD1-CB 4.5Å; L444-A448 WeakPolarHBondContact O-CB 3.4Å; L444-A448 PolarHBondContact O-N 2.98Å; L444-A448 VanDerWaalsContact O-N 3.12Å; W445-A448 PolarHBondContact O-N 2.85Å; D446-A448 VanDerWaalsContact C-N 3.33Å; D446-A448 PolarHBondContact O-N 3.42Å; A448-A452 WeakPolarHBondContact O-CB 3.3Å; A448-A452 PolarHBondContact O-N 3.37Å
449	Q	91.7	Very high	88.1	Confident	74 Å²	74	52.1 Å²	52.1	35%	0.346	27%	0.266	S	S	.	.	H	α-helix	trans	-69	-42.4	175.7	-63.1	-55.9	-32.2	0	0	112.2	W445 D446 R447 L451 A452 A453	W445-Q449 WeakPolarHBondContact O-CG 3.44Å; W445-Q449 PolarHBondContact O-N 3.31Å; D446-Q449 PolarHBondContact O-N 3.39Å; R447-Q449 VanDerWaalsContact C-N 3.32Å; R447-Q449 PolarHBondContact O-N 3.26Å; Q449-L451 PolarHBondContact O-N 3.38Å; Q449-A452 WeakPolarHBondContact O-CB 3.44Å; Q449-A452 PolarHBondContact O-N 2.93Å; Q449-A453 WeakPolarHBondContact O-CB 3.24Å; Q449-A453 PolarHBondContact O-N 2.95Å
450	Q	91	Very high	86.9	Confident	78 Å²	78	56.6 Å²	56.6	36%	0.364	28%	0.279	S	S	.	.	H	α-helix	trans	-59.1	-47.2	174.5	-69.8	178.7	10.2	0	0	111.2	D446 R447 A452 A453 Q454	D446-Q450 WeakPolarHBondContact O-CG 3.23Å; D446-Q450 PolarHBondContact O-N 2.88Å; D446-Q450 PolarHBondContact OD2-NE2 3.4Å; R447-Q450 VanDerWaalsContact NH1-OE1 3.11Å; R447-Q450 PolarHBondContact O-N 3.14Å; Q450-A452 VanDerWaalsContact C-N 3.33Å; Q450-A452 PolarHBondContact O-N 3.35Å; Q450-A453 PolarHBondContact O-N 3.07Å; Q450-A453 VanDerWaalsContact O-N 3.16Å; Q450-Q454 WeakPolarHBondContact O-CB 3.24Å; Q450-Q454 VanDerWaalsContact O-CG 3.29Å; Q450-Q454 WeakPolarHBondContact O-CG 3.49Å; Q450-Q454 PolarHBondContact O-N 3.03Å
451	L	90.6	Very high	85.8	Confident	14 Å²	14	64.8 Å²	64.8	7%	0.073	31%	0.31	C	S	.	.	H	α-helix	trans	-60.3	-42.8	175.7	-76.6	171.7	0	0	0	111.5	F205 I421 R447 Q449 A453 Q454 Q455	F205-L451 HydrophobicContact CB-CB 4.28Å; F205-L451 HydrophobicContact CD2-CB 4.08Å; F205-L451 HydrophobicContact CD2-CD1 4.07Å; F205-L451 HydrophobicContact CE2-CD1 3.96Å; F205-L451 HydrophobicContact CG-CB 4.19Å; I421-L451 HydrophobicContact CG1-CD1 3.99Å; R447-L451 HydrophobicContact CG-CD1 4.34Å; R447-L451 WeakPolarHBondContact O-CB 3.29Å; R447-L451 WeakPolarHBondContact O-CG 3.22Å; R447-L451 PolarHBondContact O-N 3.14Å; Q449-L451 PolarHBondContact O-N 3.38Å; L451-A453 VanDerWaalsContact C-N 3.31Å; L451-A453 PolarHBondContact O-N 3.11Å; L451-Q454 PolarHBondContact O-N 3.32Å; L451-Q455 VanDerWaalsContact O-CB 3.27Å; L451-Q455 WeakPolarHBondContact O-CB 3.12Å; L451-Q455 VanDerWaalsContact O-CG 3.22Å; L451-Q455 WeakPolarHBondContact O-CG 3.4Å; L451-Q455 PolarHBondContact O-N 3.23Å
452	A	88.1	Confident	84.4	Confident	15 Å²	15	65.8 Å²	65.8	12%	0.124	32%	0.323	C	S	.	.	H	α-helix	trans	-60.8	-41	175.1	0	0	0	0	0	111.9	F205 A206 A448 Q449 Q450 S456	F205-A452 HydrophobicContact CB-CB 3.96Å; A206-A452 WeakPolarHBondContact CB-O 3.45Å; A448-A452 WeakPolarHBondContact O-CB 3.3Å; A448-A452 PolarHBondContact O-N 3.37Å; Q449-A452 WeakPolarHBondContact O-CB 3.44Å; Q449-A452 PolarHBondContact O-N 2.93Å; Q450-A452 VanDerWaalsContact C-N 3.33Å; Q450-A452 PolarHBondContact O-N 3.35Å; A452-S456 VanDerWaalsContact O-CB 3.26Å; A452-S456 WeakPolarHBondContact O-CB 3.29Å; A452-S456 PolarHBondContact O-N 2.87Å; A452-S456 VanDerWaalsContact O-N 3.09Å
453	A	87.6	Confident	82.7	Confident	54 Å²	54	61.3 Å²	61.3	45%	0.446	30%	0.301	S	S	.	.	H	α-helix	trans	-67.3	-51.2	177.2	0	0	0	0	0	111.6	Q449 Q450 L451 Q455 S456 T457	Q449-A453 WeakPolarHBondContact O-CB 3.24Å; Q449-A453 PolarHBondContact O-N 2.95Å; Q450-A453 PolarHBondContact O-N 3.07Å; Q450-A453 VanDerWaalsContact O-N 3.16Å; L451-A453 VanDerWaalsContact C-N 3.31Å; L451-A453 PolarHBondContact O-N 3.11Å; A453-Q455 PolarHBondContact O-N 2.8Å; A453-S456 WeakPolarHBondContact O-CB 3.46Å; A453-S456 PolarHBondContact O-N 3.22Å; A453-S456 VanDerWaalsContact O-N 3.12Å; A453-S456 PolarHBondContact O-OG 3.38Å; A453-T457 PolarHBondContact O-N 2.85Å; A453-T457 PolarHBondContact O-OG1 3.45Å
454	Q	85.3	Confident	81	Confident	89 Å²	89	65.3 Å²	65.3	42%	0.416	32%	0.319	S	S	.	.	H	α-helix	trans	-55.8	-52.3	178.4	-73.9	175.5	-16.1	0	0	111.3	Q450 L451 S456 T457 D458	Q450-Q454 WeakPolarHBondContact O-CB 3.24Å; Q450-Q454 VanDerWaalsContact O-CG 3.29Å; Q450-Q454 WeakPolarHBondContact O-CG 3.49Å; Q450-Q454 PolarHBondContact O-N 3.03Å; L451-Q454 PolarHBondContact O-N 3.32Å; Q454-S456 VanDerWaalsContact C-N 3.26Å; Q454-S456 PolarHBondContact O-N 3.22Å; Q454-T457 WeakPolarHBondContact CA-OG1 3.37Å; Q454-T457 PolarHBondContact O-N 2.88Å; Q454-T457 PolarHBondContact O-OG1 3.38Å; Q454-D458 VanDerWaalsContact O-CG 3.24Å; Q454-D458 PolarHBondContact O-N 2.81Å
455	Q	84.4	Confident	79.1	Confident	42 Å²	42	73 Å²	73	20%	0.196	35%	0.349	C	S	.	.	H	α-helix	trans	-65.1	-30.7	179.2	-68.4	174.2	-17.8	0	0	112.3	K203 D204 A206 L451 A453 R459	K203-Q455 PolarHBondContact O-NE2 3.42Å; D204-Q455 PolarHBondContact OD1-OE1 2.77Å; A206-Q455 HydrophobicContact CB-CB 3.84Å; L451-Q455 VanDerWaalsContact O-CB 3.27Å; L451-Q455 WeakPolarHBondContact O-CB 3.12Å; L451-Q455 VanDerWaalsContact O-CG 3.22Å; L451-Q455 WeakPolarHBondContact O-CG 3.4Å; L451-Q455 PolarHBondContact O-N 3.23Å; A453-Q455 PolarHBondContact O-N 2.8Å; Q455-R459 WeakPolarHBondContact O-CB 3.48Å; Q455-R459 PolarHBondContact O-N 2.91Å
456	S	80.1	Confident	77.4	Confident	40 Å²	40	72.8 Å²	72.8	28%	0.28	35%	0.354	S	S	.	.	H	α-helix	trans	-68.9	-39.1	173	83.1	0	0	0	0	112.1	A452 A453 Q454 R459 R460	A452-S456 VanDerWaalsContact O-CB 3.26Å; A452-S456 WeakPolarHBondContact O-CB 3.29Å; A452-S456 PolarHBondContact O-N 2.87Å; A452-S456 VanDerWaalsContact O-N 3.09Å; A453-S456 WeakPolarHBondContact O-CB 3.46Å; A453-S456 PolarHBondContact O-N 3.22Å; A453-S456 VanDerWaalsContact O-N 3.12Å; A453-S456 PolarHBondContact O-OG 3.38Å; Q454-S456 VanDerWaalsContact C-N 3.26Å; Q454-S456 PolarHBondContact O-N 3.22Å; S456-R459 PolarHBondContact O-N 3.05Å; S456-R460 WeakPolarHBondContact O-CG 3.23Å; S456-R460 PolarHBondContact O-N 3.03Å
457	T	79.8	Confident	75.5	Confident	61 Å²	61	73.1 Å²	73.1	37%	0.374	36%	0.355	S	S	.	.	H	α-helix	trans	-69.7	-41.3	176.8	48	0	0	0	0	111.5	A453 Q454 R459 R460 R461	A453-T457 PolarHBondContact O-N 2.85Å; A453-T457 PolarHBondContact O-OG1 3.45Å; Q454-T457 WeakPolarHBondContact CA-OG1 3.37Å; Q454-T457 PolarHBondContact O-N 2.88Å; Q454-T457 PolarHBondContact O-OG1 3.38Å; T457-R459 VanDerWaalsContact C-N 3.27Å; T457-R459 PolarHBondContact O-N 3.39Å; T457-R460 PolarHBondContact O-N 3.11Å; T457-R460 VanDerWaalsContact O-N 3.1Å; T457-R461 WeakPolarHBondContact O-CB 3.44Å; T457-R461 WeakPolarHBondContact O-CG 3.4Å; T457-R461 PolarHBondContact O-N 2.89Å
458	D	75.1	Confident	73.5	Confident	86 Å²	86	76.3 Å²	76.3	46%	0.46	37%	0.374	S	S	.	.	H	α-helix	trans	-64.4	-36	176.2	-63.6	-24.7	0	0	0	111.1	Q454 R461 S462	Q454-D458 VanDerWaalsContact O-CG 3.24Å; Q454-D458 PolarHBondContact O-N 2.81Å; D458-R461 PolarHBondContact O-N 2.63Å; D458-S462 WeakPolarHBondContact O-CB 3.31Å; D458-S462 PolarHBondContact O-N 2.67Å; D458-S462 PolarHBondContact O-OG 3.02Å
459	R	70	Confident	71.3	Confident	69 Å²	69	83.2 Å²	83.2	26%	0.26	40%	0.4	S	S	.	.	H	α-helix	trans	-66.1	-41.8	171.5	-174.5	179.7	-87.2	-168.2	2.9	112.5	D204 Q455 S456 T457 S462 S463	D204-R459 IonicContact OD2-NH2 2.62Å; Q455-R459 WeakPolarHBondContact O-CB 3.48Å; Q455-R459 PolarHBondContact O-N 2.91Å; S456-R459 PolarHBondContact O-N 3.05Å; T457-R459 VanDerWaalsContact C-N 3.27Å; T457-R459 PolarHBondContact O-N 3.39Å; R459-S462 VanDerWaalsContact CA-OG 3.26Å; R459-S462 WeakPolarHBondContact CA-OG 3.5Å; R459-S462 PolarHBondContact O-OG 2.77Å; R459-S463 VanDerWaalsContact O-CB 3.26Å; R459-S463 WeakPolarHBondContact O-CB 3.33Å; R459-S463 PolarHBondContact O-N 3.48Å; R459-S463 PolarHBondContact O-OG 3.3Å
460	R	68.9	Low	69.2	Low	174 Å²	174	83.2 Å²	83.2	66%	0.657	40%	0.402	S	S	*	.	H	α-helix	trans	-65.1	-42.4	176.1	-74.9	178.5	-174.2	177.8	3.8	110.9	S456 T457 S463 Q464	S456-R460 WeakPolarHBondContact O-CG 3.23Å; S456-R460 PolarHBondContact O-N 3.03Å; T457-R460 PolarHBondContact O-N 3.11Å; T457-R460 VanDerWaalsContact O-N 3.1Å; R460-S463 PolarHBondContact O-N 3.44Å; R460-Q464 VanDerWaalsContact O-CB 3.26Å; R460-Q464 WeakPolarHBondContact O-CB 3.31Å; R460-Q464 VanDerWaalsContact O-CG 3.27Å; R460-Q464 WeakPolarHBondContact O-CG 3.31Å; R460-Q464 PolarHBondContact O-N 2.96Å
461	R	68.4	Low	66.9	Low	173 Å²	173	84.9 Å²	84.9	65%	0.653	41%	0.41	S	S	*	.	H	α-helix	trans	-62.6	-47.7	175.3	-75.4	178.1	177.5	177.4	-1.5	111.8	T457 D458 S463 Q464 Y465	T457-R461 WeakPolarHBondContact O-CB 3.44Å; T457-R461 WeakPolarHBondContact O-CG 3.4Å; T457-R461 PolarHBondContact O-N 2.89Å; D458-R461 PolarHBondContact O-N 2.63Å; R461-S463 PolarHBondContact O-N 3.49Å; R461-Q464 PolarHBondContact O-N 2.89Å; R461-Y465 VanDerWaalsContact O-CB 3.27Å; R461-Y465 WeakPolarHBondContact O-CB 3.43Å; R461-Y465 PolarHBondContact O-N 3.38Å
462	S	62.3	Low	64.6	Low	67 Å²	67	88.8 Å²	88.8	47%	0.469	43%	0.434	S	S	.	.	H	α-helix	trans	-64.9	-38.2	176.5	53.1	0	0	0	0	112.3	D458 R459 Y465 L466	D458-S462 WeakPolarHBondContact O-CB 3.31Å; D458-S462 PolarHBondContact O-N 2.67Å; D458-S462 PolarHBondContact O-OG 3.02Å; R459-S462 VanDerWaalsContact CA-OG 3.26Å; R459-S462 WeakPolarHBondContact CA-OG 3.5Å; R459-S462 PolarHBondContact O-OG 2.77Å; S462-Y465 PolarHBondContact O-N 2.93Å; S462-L466 WeakPolarHBondContact O-CB 3.41Å; S462-L466 PolarHBondContact O-N 3.26Å
463	S	58.9	Low	62.6	Low	25 Å²	25	95.8 Å²	95.8	18%	0.175	46%	0.462	C	S	.	.	H	α-helix	trans	-69.5	-41.8	174.9	-58.9	0	0	0	0	111.8	R459 R460 R461 Y465 L466 D467 R1058	R459-S463 VanDerWaalsContact O-CB 3.26Å; R459-S463 WeakPolarHBondContact O-CB 3.33Å; R459-S463 PolarHBondContact O-N 3.48Å; R459-S463 PolarHBondContact O-OG 3.3Å; R460-S463 PolarHBondContact O-N 3.44Å; R461-S463 PolarHBondContact O-N 3.49Å; S463-Y465 VanDerWaalsContact C-N 3.35Å; S463-L466 CarbonylContact O-C 3.55Å; S463-L466 PolarHBondContact O-N 3.02Å; S463-D467 VanDerWaalsContact O-CB 3.28Å; S463-D467 WeakPolarHBondContact O-CB 3.4Å; S463-D467 VanDerWaalsContact O-CG 3.29Å; S463-D467 PolarHBondContact O-N 3.2Å; S463-R1058 PolarHBondContact OG-NH2 2.97Å
464	Q	57.6	Low	60.6	Low	120 Å²	120	97 Å²	97	56%	0.561	46%	0.462	S	S	*	.	H	α-helix	trans	-63.6	-39.1	172.5	-79.3	176.3	-6.9	0	0	111.5	R460 R461 D467 I468	R460-Q464 VanDerWaalsContact O-CB 3.26Å; R460-Q464 WeakPolarHBondContact O-CB 3.31Å; R460-Q464 VanDerWaalsContact O-CG 3.27Å; R460-Q464 WeakPolarHBondContact O-CG 3.31Å; R460-Q464 PolarHBondContact O-N 2.96Å; R461-Q464 PolarHBondContact O-N 2.89Å; Q464-D467 CarbonylContact O-C 3.59Å; Q464-D467 PolarHBondContact O-N 3.43Å; Q464-I468 VanDerWaalsContact O-CB 3.22Å; Q464-I468 WeakPolarHBondContact O-CB 3.33Å; Q464-I468 WeakPolarHBondContact O-CD1 3.35Å; Q464-I468 WeakPolarHBondContact O-CG1 3.31Å; Q464-I468 PolarHBondContact O-N 2.83Å
465	Y	51.5	Low	58.3	Low	163 Å²	163	99.4 Å²	99.4	64%	0.639	48%	0.476	S	S	*	.	H	α-helix	trans	-67.1	-41.1	174.8	-176.2	-98.3	0	0	0	111.2	R461 S462 S463 D467 I468 R469	R461-Y465 VanDerWaalsContact O-CB 3.27Å; R461-Y465 WeakPolarHBondContact O-CB 3.43Å; R461-Y465 PolarHBondContact O-N 3.38Å; S462-Y465 PolarHBondContact O-N 2.93Å; S463-Y465 VanDerWaalsContact C-N 3.35Å; Y465-D467 VanDerWaalsContact C-N 3.33Å; Y465-I468 PolarHBondContact O-N 3.12Å; Y465-R469 WeakPolarHBondContact O-CB 3.46Å; Y465-R469 PolarHBondContact O-N 3.01Å
466	L	55.1	Low	56.3	Low	78 Å²	78	100.3 Å²	100.3	41%	0.408	49%	0.487	S	S	.	.	H	α-helix	trans	-64.5	-39.6	173.3	-157	89.7	0	0	0	111	S462 S463 R469 N470	S462-L466 WeakPolarHBondContact O-CB 3.41Å; S462-L466 PolarHBondContact O-N 3.26Å; S463-L466 CarbonylContact O-C 3.55Å; S463-L466 PolarHBondContact O-N 3.02Å; L466-R469 PolarHBondContact O-N 3.41Å; L466-N470 WeakPolarHBondContact O-CB 3.42Å; L466-N470 PolarHBondContact O-N 3.16Å; L466-N470 PolarHBondContact O-ND2 3.29Å; L466-N470 VanDerWaalsContact O-ND2 3.13Å
467	D	53.7	Low	54.5	Low	87 Å²	87	103.3 Å²	103.3	47%	0.465	51%	0.508	S	S	.	.	H	α-helix	trans	-71.3	-38	176.8	-77.7	-20.4	0	0	0	111.8	S463 Q464 Y465 N470 Q471	S463-D467 VanDerWaalsContact O-CB 3.28Å; S463-D467 WeakPolarHBondContact O-CB 3.4Å; S463-D467 VanDerWaalsContact O-CG 3.29Å; S463-D467 PolarHBondContact O-N 3.2Å; Q464-D467 CarbonylContact O-C 3.59Å; Q464-D467 PolarHBondContact O-N 3.43Å; Y465-D467 VanDerWaalsContact C-N 3.33Å; D467-N470 CarbonylContact O-C 3.55Å; D467-N470 PolarHBondContact O-N 3.28Å; D467-Q471 WeakPolarHBondContact O-CA 3.1Å; D467-Q471 WeakPolarHBondContact O-CB 3.18Å; D467-Q471 WeakPolarHBondContact O-CG 3.45Å; D467-Q471 PolarHBondContact O-N 2.93Å
468	I	52.1	Low	52.9	Low	93 Å²	93	109.1 Å²	109.1	48%	0.477	53%	0.531	S	S	.	.	H	α-helix	trans	-68.4	-38.3	171.9	-71.4	163.2	0	0	0	109.4	Q464 Y465 Q471 T472	Q464-I468 VanDerWaalsContact O-CB 3.22Å; Q464-I468 WeakPolarHBondContact O-CB 3.33Å; Q464-I468 WeakPolarHBondContact O-CD1 3.35Å; Q464-I468 WeakPolarHBondContact O-CG1 3.31Å; Q464-I468 PolarHBondContact O-N 2.83Å; Y465-I468 PolarHBondContact O-N 3.12Å; I468-Q471 CarbonylContact O-C 3.14Å; I468-Q471 PolarHBondContact O-N 2.61Å; I468-T472 HydrophobicContact CG2-CG2 4.22Å; I468-T472 VanDerWaalsContact O-CB 3.29Å; I468-T472 WeakPolarHBondContact O-CB 3.5Å; I468-T472 VanDerWaalsContact O-CG2 3.24Å; I468-T472 WeakPolarHBondContact O-CG2 3.28Å; I468-T472 PolarHBondContact O-N 3.49Å; I468-T472 PolarHBondContact O-OG1 3.32Å
469	R	44.6	Very low	51.7	Low	146 Å²	146	110.7 Å²	110.7	55%	0.551	55%	0.549	S	S	*	.	H	α-helix	trans	-65.3	-42.1	172.7	-173.4	178.8	-179.4	-177.1	1.9	110.7	Y465 L466 T472 F473	Y465-R469 WeakPolarHBondContact O-CB 3.46Å; Y465-R469 PolarHBondContact O-N 3.01Å; L466-R469 PolarHBondContact O-N 3.41Å; R469-T472 VanDerWaalsContact CA-OG1 3.3Å; R469-T472 WeakPolarHBondContact CA-OG1 3.49Å; R469-T472 PolarHBondContact O-OG1 2.9Å; R469-F473 WeakPolarHBondContact O-CB 2.99Å; R469-F473 WeakPolarHBondContact O-CD2 3.4Å; R469-F473 PolarHBondContact O-N 2.73Å
470	N	48	Very low	51.2	Low	74 Å²	74	114.5 Å²	114.5	40%	0.396	57%	0.571	S	S	.	*	H	α-helix	trans	-68.8	-36.6	174.1	-73	-27.5	0	0	0	111.3	L466 D467 F473 N474	L466-N470 WeakPolarHBondContact O-CB 3.42Å; L466-N470 PolarHBondContact O-N 3.16Å; L466-N470 PolarHBondContact O-ND2 3.29Å; L466-N470 VanDerWaalsContact O-ND2 3.13Å; D467-N470 CarbonylContact O-C 3.55Å; D467-N470 PolarHBondContact O-N 3.28Å; N470-F473 CarbonylContact O-C 3.47Å; N470-F473 WeakPolarHBondContact O-CB 3.48Å; N470-F473 PolarHBondContact O-N 2.7Å; N470-N474 WeakPolarHBondContact O-CB 3.35Å; N470-N474 PolarHBondContact O-N 3.36Å; N470-N474 PolarHBondContact O-ND2 3.24Å
471	Q	43.3	Very low	51.7	Low	113 Å²	113	112.3 Å²	112.3	53%	0.528	57%	0.571	S	S	.	*	H	α-helix	trans	-75.8	-36.6	178.9	-82	179.7	0.2	0	0	111.1	D467 I468 F473 N474 L475	D467-Q471 WeakPolarHBondContact O-CA 3.1Å; D467-Q471 WeakPolarHBondContact O-CB 3.18Å; D467-Q471 WeakPolarHBondContact O-CG 3.45Å; D467-Q471 PolarHBondContact O-N 2.93Å; I468-Q471 CarbonylContact O-C 3.14Å; I468-Q471 PolarHBondContact O-N 2.61Å; Q471-F473 VanDerWaalsContact C-N 3.26Å; Q471-F473 PolarHBondContact O-N 3.05Å; Q471-N474 CarbonylContact O-C 3.58Å; Q471-N474 VanDerWaalsContact O-C 3.28Å; Q471-N474 WeakPolarHBondContact O-CA 3.39Å; Q471-N474 PolarHBondContact O-N 2.73Å; Q471-L475 VanDerWaalsContact O-CA 3.31Å; Q471-L475 WeakPolarHBondContact O-CA 3.33Å; Q471-L475 WeakPolarHBondContact O-CB 3.38Å; Q471-L475 PolarHBondContact O-N 3.1Å
472	T	42	Very low	52.5	Low	96 Å²	96	105.2 Å²	105.2	59%	0.589	55%	0.552	S	S	*	*	H	α-helix	trans	-66.1	-33.7	170.6	46.2	0	0	0	0	110.5	I468 R469	I468-T472 HydrophobicContact CG2-CG2 4.22Å; I468-T472 VanDerWaalsContact O-CB 3.29Å; I468-T472 WeakPolarHBondContact O-CB 3.5Å; I468-T472 VanDerWaalsContact O-CG2 3.24Å; I468-T472 WeakPolarHBondContact O-CG2 3.28Å; I468-T472 PolarHBondContact O-N 3.49Å; I468-T472 PolarHBondContact O-OG1 3.32Å; R469-T472 VanDerWaalsContact CA-OG1 3.3Å; R469-T472 WeakPolarHBondContact CA-OG1 3.49Å; R469-T472 PolarHBondContact O-OG1 2.9Å
473	F	47	Very low	53.5	Low	161 Å²	161	105.2 Å²	105.2	71%	0.706	54%	0.543	S	S	*	.	H	α-helix	trans	-69.9	-33.4	165.6	-96.2	-88.3	0	0	0	113.5	R469 N470 Q471	R469-F473 WeakPolarHBondContact O-CB 2.99Å; R469-F473 WeakPolarHBondContact O-CD2 3.4Å; R469-F473 PolarHBondContact O-N 2.73Å; N470-F473 CarbonylContact O-C 3.47Å; N470-F473 WeakPolarHBondContact O-CB 3.48Å; N470-F473 PolarHBondContact O-N 2.7Å; Q471-F473 VanDerWaalsContact C-N 3.26Å; Q471-F473 PolarHBondContact O-N 3.05Å
474	N	44.7	Very low	54.8	Low	81 Å²	81	104.2 Å²	104.2	43%	0.433	54%	0.537	S	S	.	.	H	α-helix	trans	-93.8	-7.5	-178	-69.6	-40.5	0	0	0	114.4	N470 Q471 S476 S477	N470-N474 WeakPolarHBondContact O-CB 3.35Å; N470-N474 PolarHBondContact O-N 3.36Å; N470-N474 PolarHBondContact O-ND2 3.24Å; Q471-N474 CarbonylContact O-C 3.58Å; Q471-N474 VanDerWaalsContact O-C 3.28Å; Q471-N474 WeakPolarHBondContact O-CA 3.39Å; Q471-N474 PolarHBondContact O-N 2.73Å; N474-S476 CarbonylContact O-C 3.53Å; N474-S476 PolarHBondContact O-N 3.41Å; N474-S477 PolarHBondContact O-N 2.61Å; N474-S477 VanDerWaalsContact O-N 3.1Å
475	L	37.7	Very low	56.4	Low	139 Å²	139	99.6 Å²	99.6	73%	0.728	52%	0.516	S	S	*	.			trans	-72.2	3.1	-173.4	-137.5	99	0	0	0	111.9	Q471 S477	Q471-L475 VanDerWaalsContact O-CA 3.31Å; Q471-L475 WeakPolarHBondContact O-CA 3.33Å; Q471-L475 WeakPolarHBondContact O-CB 3.38Å; Q471-L475 PolarHBondContact O-N 3.1Å; L475-S477 PolarHBondContact O-N 2.85Å
476	S	42.6	Very low	58.2	Low	61 Å²	61	98.4 Å²	98.4	43%	0.427	51%	0.512	S	S	.	.			trans	-87.6	56.1	154.7	63.2	0	0	0	0	110.8	N474 Q478 K483	N474-S476 CarbonylContact O-C 3.53Å; N474-S476 PolarHBondContact O-N 3.41Å; S476-Q478 PolarHBondContact O-N 3.31Å; S476-K483 PolarHBondContact OG-NZ 2.91Å
477	S	42.3	Very low	59.7	Low	103 Å²	103	98.4 Å²	98.4	72%	0.72	51%	0.511	S	S	*	.			trans	-78	90	161.4	179.4	0	0	0	0	107.4	N474 L475	N474-S477 PolarHBondContact O-N 2.61Å; N474-S477 VanDerWaalsContact O-N 3.1Å; L475-S477 PolarHBondContact O-N 2.85Å
478	Q	45.2	Very low	61.5	Low	183 Å²	183	95 Å²	95	86%	0.855	49%	0.493	S	S	*	.	S	Bend	trans	-171.7	134.1	152.2	-104.4	164.9	12.4	0	0	108.1	S476 M480	S476-Q478 PolarHBondContact O-N 3.31Å; Q478-M480 PolarHBondContact O-N 3.19Å
479	S	49.7	Very low	63.2	Low	118 Å²	118	93.3 Å²	93.3	83%	0.825	49%	0.485	S	S	*	.			trans	-40.2	118.4	-169.8	-163.9	0	0	0	0	114.3
480	M	59.1	Low	65.4	Low	149 Å²	149	92.7 Å²	92.7	73%	0.734	49%	0.486	S	S	*	.			trans	-146.7	114.6	157	-119.2	-167.9	-74	0	0	109.7	Q478 K483	Q478-M480 PolarHBondContact O-N 3.19Å; M480-K483 PolarHBondContact O-N 2.71Å
481	I	81	Confident	67.3	Low	129 Å²	129	93.4 Å²	93.4	66%	0.662	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	135	173.2	-65.8	172.3	0	0	0	109	K483 V614	I481-K483 PolarHBondContact O-N 2.73Å; I481-V614 HydrophobicContact CG2-CG1 3.13Å
482	G	84.1	Confident	69.5	Low	23 Å²	23	88.4 Å²	88.4	24%	0.237	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	-9.1	176.2	0	0	0	0	0	116.7	G484 I485 Y486 V614	G482-G484 VanDerWaalsContact C-N 3.29Å; G482-G484 PolarHBondContact O-N 3.28Å; G482-I485 PolarHBondContact O-N 2.91Å; G482-Y486 PolarHBondContact O-N 3.43Å; G482-V614 PolarHBondContact N-O 3.46Å
483	K	84.3	Confident	71.7	Confident	67 Å²	67	88.7 Å²	88.7	29%	0.291	46%	0.457	S	S	.	.	H	α-helix	trans	-62.4	-32.7	-178.3	-169.1	176	-175.2	178.7	0	113.6	S476 M480 I481 Y486 L487	S476-K483 PolarHBondContact OG-NZ 2.91Å; M480-K483 PolarHBondContact O-N 2.71Å; I481-K483 PolarHBondContact O-N 2.73Å; K483-Y486 PolarHBondContact O-N 3.18Å; K483-L487 HydrophobicContact CG-CD1 4.03Å; K483-L487 HydrophobicContact CG-CG 4.19Å; K483-L487 WeakPolarHBondContact O-CB 3.33Å; K483-L487 VanDerWaalsContact O-CG 3.31Å; K483-L487 WeakPolarHBondContact O-CG 3.09Å; K483-L487 PolarHBondContact O-N 3.35Å
484	G	86.4	Confident	73.6	Confident	5 Å²	5	85.6 Å²	85.6	5%	0.052	45%	0.453	C	S	.	.	H	α-helix	trans	-60.8	-46.4	177.8	0	0	0	0	0	112.4	G482 L487 D488	G482-G484 VanDerWaalsContact C-N 3.29Å; G482-G484 PolarHBondContact O-N 3.28Å; G484-L487 PolarHBondContact O-N 3.48Å; G484-D488 PolarHBondContact O-N 2.82Å; G484-D488 VanDerWaalsContact O-N 3.08Å
485	I	90.3	Very high	75.6	Confident	23 Å²	23	87.1 Å²	87.1	12%	0.118	45%	0.453	C	S	.	.	H	α-helix	trans	-62	-48	175.9	-61.8	172.4	0	0	0	110.6	G482 L487 D488 L489 S613 V614 H867 W868 F871	G482-I485 PolarHBondContact O-N 2.91Å; I485-L487 PolarHBondContact O-N 3.35Å; I485-D488 PolarHBondContact O-N 3.35Å; I485-L489 WeakPolarHBondContact O-CB 3.29Å; I485-L489 PolarHBondContact O-N 3.24Å; I485-S613 VanDerWaalsContact CD1-OG 3.24Å; I485-S613 WeakPolarHBondContact CD1-OG 3.43Å; I485-S613 VanDerWaalsContact CG1-OG 3.25Å; I485-S613 WeakPolarHBondContact CG1-OG 3.38Å; I485-V614 HydrophobicContact CD1-CG2 3.74Å; I485-H867 HydrophobicContact CG1-CB 4.07Å; I485-W868 HydrophobicContact CG2-CE3 3.76Å; I485-W868 HydrophobicContact CG2-CZ3 4.31Å; I485-F871 HydrophobicContact CD1-CB 4.27Å; I485-F871 HydrophobicContact CD1-CD2 4.08Å; I485-F871 HydrophobicContact CD1-CG 4.19Å
486	Y	88.5	Confident	77.9	Confident	138 Å²	138	83.6 Å²	83.6	54%	0.541	43%	0.431	S	S	.	.	H	α-helix	trans	-59.8	-43	-179.7	175.8	-100.2	0	0	0	112.6	G482 K483 L489 K490	G482-Y486 PolarHBondContact O-N 3.43Å; K483-Y486 PolarHBondContact O-N 3.18Å; Y486-L489 PolarHBondContact O-N 2.96Å; Y486-K490 HydrophobicContact CE1-CD 4.12Å; Y486-K490 VanDerWaalsContact O-CB 3.23Å; Y486-K490 WeakPolarHBondContact O-CB 3.31Å; Y486-K490 PolarHBondContact O-N 3.16Å
487	L	87.8	Confident	80	Confident	77 Å²	77	89.6 Å²	89.6	40%	0.403	44%	0.444	S	S	.	.	H	α-helix	trans	-68	-40.6	178.7	-71.4	174.8	0	0	0	112.5	K483 G484 I485 R491	K483-L487 HydrophobicContact CG-CD1 4.03Å; K483-L487 HydrophobicContact CG-CG 4.19Å; K483-L487 WeakPolarHBondContact O-CB 3.33Å; K483-L487 VanDerWaalsContact O-CG 3.31Å; K483-L487 WeakPolarHBondContact O-CG 3.09Å; K483-L487 PolarHBondContact O-N 3.35Å; G484-L487 PolarHBondContact O-N 3.48Å; I485-L487 PolarHBondContact O-N 3.35Å; L487-R491 WeakPolarHBondContact O-CB 3.39Å; L487-R491 PolarHBondContact O-N 3.2Å; L487-R491 VanDerWaalsContact O-N 3.12Å
488	D	90.4	Very high	82.2	Confident	16 Å²	16	86.4 Å²	86.4	9%	0.086	42%	0.422	C	S	.	.	H	α-helix	trans	-63.2	-44.8	175.6	-78.4	-17.2	0	0	0	110.7	G484 I485 R491 K492 N866 H867 W868	G484-D488 PolarHBondContact O-N 2.82Å; G484-D488 VanDerWaalsContact O-N 3.08Å; I485-D488 PolarHBondContact O-N 3.35Å; D488-R491 PolarHBondContact O-N 2.82Å; D488-R491 IonicContact OD1-NH2 3.51Å; D488-R491 PolarHBondContact OD1-NH2 2.82Å; D488-R491 VanDerWaalsContact OD1-NH2 3.12Å; D488-K492 WeakPolarHBondContact O-CB 3.36Å; D488-K492 VanDerWaalsContact O-CG 3.3Å; D488-K492 WeakPolarHBondContact O-CG 3.43Å; D488-K492 PolarHBondContact O-N 3.41Å; D488-N866 PolarHBondContact OD2-N 2.84Å; D488-H867 WeakPolarHBondContact OD2-CB 2.93Å; D488-H867 IonicContact OD2-CG 2.73Å; D488-H867 PolarHBondContact OD2-N 3.38Å; D488-H867 IonicContact OD2-ND1 2.63Å; D488-H867 PolarHBondContact OD2-ND1 3.07Å; D488-W868 HydrophobicContact CB-CB 4.04Å
489	L	89.3	Confident	84.3	Confident	57 Å²	57	78 Å²	78	30%	0.298	38%	0.382	S	S	.	.	H	α-helix	trans	-65.6	-47.6	178.5	-168.9	71.5	0	0	0	112	I485 Y486 R491 K492 I493 W868	I485-L489 WeakPolarHBondContact O-CB 3.29Å; I485-L489 PolarHBondContact O-N 3.24Å; Y486-L489 PolarHBondContact O-N 2.96Å; L489-R491 PolarHBondContact O-N 3.18Å; L489-K492 PolarHBondContact O-N 3.24Å; L489-K492 VanDerWaalsContact O-N 3.09Å; L489-I493 HydrophobicContact CD1-CD1 4.19Å; L489-I493 HydrophobicContact CD1-CG1 4.09Å; L489-I493 HydrophobicContact CD2-CD1 4.04Å; L489-I493 HydrophobicContact CG-CD1 3.63Å; L489-I493 HydrophobicContact CG-CG1 3.98Å; L489-I493 WeakPolarHBondContact O-CG1 3.25Å; L489-I493 PolarHBondContact O-N 3.45Å; L489-W868 HydrophobicContact CD1-CD2 4.16Å; L489-W868 HydrophobicContact CD1-CE3 4.42Å; L489-W868 HydrophobicContact CD1-CH2 4.34Å; L489-W868 HydrophobicContact CD1-CZ2 4.11Å; L489-W868 HydrophobicContact CD1-CZ3 4.49Å
490	K	89.3	Confident	86.1	Confident	133 Å²	133	74.2 Å²	74.2	58%	0.578	35%	0.353	S	S	*	.	H	α-helix	trans	-56.8	-38.7	178.1	-178.4	177.7	178.9	178.3	0	111.9	Y486	Y486-K490 HydrophobicContact CE1-CD 4.12Å; Y486-K490 VanDerWaalsContact O-CB 3.23Å; Y486-K490 WeakPolarHBondContact O-CB 3.31Å; Y486-K490 PolarHBondContact O-N 3.16Å
491	R	88.1	Confident	87.5	Confident	89 Å²	89	69.5 Å²	69.5	34%	0.336	33%	0.333	S	S	.	.	H	α-helix	trans	-73.7	-35.1	177.5	178.8	167.5	52.2	88.5	2.4	112.7	L487 D488 L489 Y495 K862 P864	L487-R491 WeakPolarHBondContact O-CB 3.39Å; L487-R491 PolarHBondContact O-N 3.2Å; L487-R491 VanDerWaalsContact O-N 3.12Å; D488-R491 PolarHBondContact O-N 2.82Å; D488-R491 IonicContact OD1-NH2 3.51Å; D488-R491 PolarHBondContact OD1-NH2 2.82Å; D488-R491 VanDerWaalsContact OD1-NH2 3.12Å; L489-R491 PolarHBondContact O-N 3.18Å; R491-Y495 VanDerWaalsContact O-CD2 3.31Å; R491-Y495 WeakPolarHBondContact O-CD2 3.36Å; R491-K862 PolarHBondContact NH1-O 3.04Å; R491-K862 VanDerWaalsContact NH1-O 3.13Å; R491-P864 PolarHBondContact NH1-O 3.15Å; R491-P864 PolarHBondContact NH2-O 3.25Å
492	K	89.2	Confident	87.8	Confident	8 Å²	8	66 Å²	66	4%	0.035	31%	0.314	C	S	.	.	H	α-helix	trans	-87.1	-34.3	-173.3	-73.7	-69.3	-170.3	173.7	0	114.7	D488 L489 P494 Y495 Y496 G564 K862 G863 P864	D488-K492 WeakPolarHBondContact O-CB 3.36Å; D488-K492 VanDerWaalsContact O-CG 3.3Å; D488-K492 WeakPolarHBondContact O-CG 3.43Å; D488-K492 PolarHBondContact O-N 3.41Å; L489-K492 PolarHBondContact O-N 3.24Å; L489-K492 VanDerWaalsContact O-N 3.09Å; K492-P494 VanDerWaalsContact C-CD 3.49Å; K492-P494 VanDerWaalsContact C-N 3.34Å; K492-Y495 PolarHBondContact O-N 3.35Å; K492-Y496 PolarHBondContact O-N 3.13Å; K492-G564 VanDerWaalsContact CE-O 3.31Å; K492-G564 WeakPolarHBondContact CE-O 3.43Å; K492-G564 PolarHBondContact NZ-O 2.94Å; K492-K862 WeakPolarHBondContact CE-O 3.49Å; K492-K862 PolarHBondContact NZ-O 3.23Å; K492-G863 VanDerWaalsContact CE-O 3.25Å; K492-G863 WeakPolarHBondContact CE-O 3.35Å; K492-G863 PolarHBondContact NZ-O 3.33Å; K492-P864 WeakPolarHBondContact CE-O 3.48Å
493	I	88.5	Confident	87.9	Confident	103 Å²	103	65 Å²	65	53%	0.528	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-47.2	-47.9	-177.6	-79.1	169.2	0	0	0	113	L489 Y495 Y496	L489-I493 HydrophobicContact CD1-CD1 4.19Å; L489-I493 HydrophobicContact CD1-CG1 4.09Å; L489-I493 HydrophobicContact CD2-CD1 4.04Å; L489-I493 HydrophobicContact CG-CD1 3.63Å; L489-I493 HydrophobicContact CG-CG1 3.98Å; L489-I493 WeakPolarHBondContact O-CG1 3.25Å; L489-I493 PolarHBondContact O-N 3.45Å; I493-Y495 VanDerWaalsContact C-N 3.29Å; I493-Y495 PolarHBondContact O-N 3.14Å; I493-Y496 VanDerWaalsContact O-CB 3.31Å; I493-Y496 WeakPolarHBondContact O-CB 3.22Å; I493-Y496 PolarHBondContact O-N 3.41Å
494	P	87.4	Confident	88.1	Confident	96 Å²	96	66.3 Å²	66.3	62%	0.623	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-63.9	-30.5	-179.3	-23.9	34.9	0	0	0	114.3	K492	K492-P494 VanDerWaalsContact C-CD 3.49Å; K492-P494 VanDerWaalsContact C-N 3.34Å
495	Y	86.3	Confident	88	Confident	112 Å²	112	76.1 Å²	76.1	44%	0.439	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-84.6	-11.7	179.3	-63.2	-71.8	0	0	0	112.8	R491 K492 I493 W497 S498 D499 K862	R491-Y495 VanDerWaalsContact O-CD2 3.31Å; R491-Y495 WeakPolarHBondContact O-CD2 3.36Å; K492-Y495 PolarHBondContact O-N 3.35Å; I493-Y495 VanDerWaalsContact C-N 3.29Å; I493-Y495 PolarHBondContact O-N 3.14Å; Y495-W497 VanDerWaalsContact C-N 3.26Å; Y495-W497 PolarHBondContact O-N 3.23Å; Y495-S498 WeakPolarHBondContact O-CA 3.26Å; Y495-S498 PolarHBondContact O-N 3.23Å; Y495-S498 PolarHBondContact O-OG 3.08Å; Y495-D499 PolarHBondContact O-N 3.17Å; Y495-D499 VanDerWaalsContact O-OD1 3.11Å; Y495-K862 HydrophobicContact CD1-CG 4.3Å; Y495-K862 HydrophobicContact CG-CG 4.27Å
496	Y	87.4	Confident	87.6	Confident	65 Å²	65	77.1 Å²	77.1	26%	0.255	36%	0.364	S	S	.	.	H	α-helix	trans	-59	-37.1	-174.6	-153.6	-86.5	0	0	0	113.1	K492 I493 G560 V561 R926	K492-Y496 PolarHBondContact O-N 3.13Å; I493-Y496 VanDerWaalsContact O-CB 3.31Å; I493-Y496 WeakPolarHBondContact O-CB 3.22Å; I493-Y496 PolarHBondContact O-N 3.41Å; Y496-G560 PolarHBondContact OH-O 3.2Å; Y496-V561 PolarHBondContact OH-O 3.01Å; Y496-R926 PolarHBondContact OH-NE 3.47Å
497	W	86.1	Confident	87.1	Confident	188 Å²	188	79.1 Å²	79.1	71%	0.712	38%	0.375	S	S	*	.	H	α-helix	trans	-73.3	-35.6	174.5	-169	-108.3	0	0	0	112.4	Y495 D499 I500 T501	Y495-W497 VanDerWaalsContact C-N 3.26Å; Y495-W497 PolarHBondContact O-N 3.23Å; W497-D499 VanDerWaalsContact C-N 3.29Å; W497-D499 PolarHBondContact O-N 3.03Å; W497-I500 HydrophobicContact CE3-CD1 4.45Å; W497-I500 PolarHBondContact O-N 3.38Å; W497-T501 WeakPolarHBondContact O-CG2 3.43Å; W497-T501 PolarHBondContact O-N 3.01Å; W497-T501 VanDerWaalsContact O-N 3.16Å; W497-T501 PolarHBondContact O-OG1 2.79Å
498	S	88.1	Confident	86.7	Confident	36 Å²	36	79.2 Å²	79.2	25%	0.252	38%	0.376	S	S	.	.	H	α-helix	trans	-65.9	-33.6	177	74.7	0	0	0	0	111.5	Y495 I500 T501 E502	Y495-S498 WeakPolarHBondContact O-CA 3.26Å; Y495-S498 PolarHBondContact O-N 3.23Å; Y495-S498 PolarHBondContact O-OG 3.08Å; S498-I500 VanDerWaalsContact C-N 3.25Å; S498-I500 PolarHBondContact O-N 2.88Å; S498-T501 WeakPolarHBondContact CA-OG1 3.43Å; S498-T501 PolarHBondContact O-N 3.01Å; S498-T501 PolarHBondContact O-OG1 3.37Å; S498-E502 WeakPolarHBondContact O-CB 3.31Å; S498-E502 PolarHBondContact O-N 3.46Å
499	D	88.7	Confident	86.6	Confident	5 Å²	5	78.8 Å²	78.8	3%	0.027	37%	0.374	C	S	.	.	H	α-helix	trans	-57.5	-34	174.9	-63.7	-5	0	0	0	113.7	Y495 W497 K862 T925 R926	Y495-D499 PolarHBondContact O-N 3.17Å; Y495-D499 VanDerWaalsContact O-OD1 3.11Å; W497-D499 VanDerWaalsContact C-N 3.29Å; W497-D499 PolarHBondContact O-N 3.03Å; D499-K862 WeakPolarHBondContact OD1-CD 3.37Å; D499-K862 VanDerWaalsContact OD1-CE 3.28Å; D499-K862 WeakPolarHBondContact OD1-CE 3.25Å; D499-K862 IonicContact OD1-NZ 3.97Å; D499-K862 PolarHBondContact OD1-NZ 3.27Å; D499-T925 WeakPolarHBondContact O-CA 3.47Å; D499-T925 WeakPolarHBondContact O-CB 3.3Å; D499-T925 PolarHBondContact O-OG1 2.94Å; D499-R926 HydrophobicContact CB-CG 3.96Å; D499-R926 PolarHBondContact O-N 3.42Å
500	I	88.9	Confident	86.6	Confident	39 Å²	39	80.4 Å²	80.4	20%	0.2	38%	0.381	C	S	.	.	H	α-helix	trans	-79.1	-50.8	176.8	-58	176.1	0	0	0	109.4	W497 S498 E502 G503 R926 L927	W497-I500 HydrophobicContact CE3-CD1 4.45Å; W497-I500 PolarHBondContact O-N 3.38Å; S498-I500 VanDerWaalsContact C-N 3.25Å; S498-I500 PolarHBondContact O-N 2.88Å; I500-E502 VanDerWaalsContact C-N 3.3Å; I500-E502 PolarHBondContact O-N 3.33Å; I500-G503 PolarHBondContact O-N 3.13Å; I500-R926 HydrophobicContact CG1-CG 3.88Å; I500-L927 HydrophobicContact CG2-CD1 4.23Å; I500-L927 HydrophobicContact CG2-CD2 4.13Å; I500-L927 HydrophobicContact CG2-CG 4.28Å; I500-L927 WeakPolarHBondContact O-CD1 3.43Å
501	T	88.6	Confident	86.6	Confident	51 Å²	51	76.9 Å²	76.9	31%	0.313	36%	0.364	S	S	.	.	H	α-helix	trans	-65.6	-32.4	-175.2	60.8	0	0	0	0	113	W497 S498 G503 I504 R505	W497-T501 WeakPolarHBondContact O-CG2 3.43Å; W497-T501 PolarHBondContact O-N 3.01Å; W497-T501 VanDerWaalsContact O-N 3.16Å; W497-T501 PolarHBondContact O-OG1 2.79Å; S498-T501 WeakPolarHBondContact CA-OG1 3.43Å; S498-T501 PolarHBondContact O-N 3.01Å; S498-T501 PolarHBondContact O-OG1 3.37Å; T501-G503 VanDerWaalsContact C-N 3.26Å; T501-G503 PolarHBondContact O-N 3.45Å; T501-I504 PolarHBondContact O-N 3.19Å; T501-I504 VanDerWaalsContact O-N 3.15Å; T501-R505 WeakPolarHBondContact O-CB 3.32Å; T501-R505 PolarHBondContact O-N 3.15Å
502	E	86.3	Confident	86.7	Confident	56 Å²	56	73.1 Å²	73.1	26%	0.262	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-22.8	178.4	-169.4	173.4	172.8	0	0	112.9	S498 I500 I504 T509 K862 E924	S498-E502 WeakPolarHBondContact O-CB 3.31Å; S498-E502 PolarHBondContact O-N 3.46Å; I500-E502 VanDerWaalsContact C-N 3.3Å; I500-E502 PolarHBondContact O-N 3.33Å; E502-I504 VanDerWaalsContact C-N 3.27Å; E502-I504 PolarHBondContact O-N 3.36Å; E502-T509 WeakPolarHBondContact O-CG2 3.43Å; E502-K862 VanDerWaalsContact OE2-CE 3.3Å; E502-K862 WeakPolarHBondContact OE2-CE 3.25Å; E502-K862 IonicContact OE2-NZ 3.59Å; E502-K862 PolarHBondContact OE2-NZ 3.45Å; E502-E924 PolarHBondContact OE1-N 3.33Å
503	G	85.9	Confident	86.9	Confident	0 Å²	0	73 Å²	73	0%	0	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-20.7	173.4	0	0	0	0	0	113.8	I500 T501 T513 T925	I500-G503 PolarHBondContact O-N 3.13Å; T501-G503 VanDerWaalsContact C-N 3.26Å; T501-G503 PolarHBondContact O-N 3.45Å; G503-T513 WeakPolarHBondContact O-CB 3.21Å; G503-T513 PolarHBondContact O-OG1 2.89Å; G503-T925 VanDerWaalsContact CA-OG1 3.28Å; G503-T925 WeakPolarHBondContact CA-OG1 3.29Å; G503-T925 PolarHBondContact N-OG1 2.77Å
504	I	89.7	Confident	87.1	Confident	95 Å²	95	72.2 Å²	72.2	49%	0.487	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-38.4	-173.5	-58.2	172	0	0	0	111.4	T501 E502 M510 L927	T501-I504 PolarHBondContact O-N 3.19Å; T501-I504 VanDerWaalsContact O-N 3.15Å; E502-I504 VanDerWaalsContact C-N 3.27Å; E502-I504 PolarHBondContact O-N 3.36Å; I504-M510 VanDerWaalsContact CA-SD 3.59Å; I504-M510 HydrophobicContact CB-SD 4Å; I504-M510 HydrophobicContact CG1-SD 4.15Å; I504-M510 HydrophobicContact CG2-SD 3.74Å; I504-M510 WeakPolarHBondContact O-CG 3.28Å; I504-L927 HydrophobicContact CD1-CD1 3.74Å; I504-L927 HydrophobicContact CG1-CD1 3.59Å
505	R	83.9	Confident	87.4	Confident	211 Å²	211	67.7 Å²	67.7	80%	0.796	32%	0.317	S	S	*	.	S	Bend	trans	-91.9	113.3	-171.2	-170.8	174.3	-179.7	178.1	-0.2	111.2	T501	T501-R505 WeakPolarHBondContact O-CB 3.32Å; T501-R505 PolarHBondContact O-N 3.15Å
506	G	81.1	Confident	87.7	Confident	45 Å²	45	62.5 Å²	62.5	46%	0.464	30%	0.297	S	S	.	.	S	Bend	trans	148.3	156.8	169.1	0	0	0	0	0	113.8	N508 T509	G506-N508 PolarHBondContact O-N 3.17Å; G506-T509 WeakPolarHBondContact O-CB 3.08Å; G506-T509 PolarHBondContact O-N 3.44Å; G506-T509 VanDerWaalsContact O-N 3.14Å; G506-T509 PolarHBondContact O-OG1 3.45Å
507	K	77.6	Confident	88.1	Confident	179 Å²	179	60.1 Å²	60.1	78%	0.778	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	130.7	175.1	-170.6	175.6	-178.7	178.1	0	109.9	T509	K507-T509 PolarHBondContact O-N 3.07Å; K507-T509 PolarHBondContact O-OG1 3.01Å
508	N	81.1	Confident	88.5	Confident	80 Å²	80	53.9 Å²	53.9	43%	0.428	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	5.6	-176.4	-57.8	-25.6	0	0	0	115.9	G506 R511 K512	G506-N508 PolarHBondContact O-N 3.17Å; N508-R511 PolarHBondContact O-N 3.1Å; N508-K512 PolarHBondContact O-N 3.06Å
509	T	88	Confident	88.7	Confident	6 Å²	6	52.7 Å²	52.7	4%	0.037	26%	0.259	C	S	.	.	H	α-helix	trans	-72.2	-48.7	-170.5	-64.1	0	0	0	0	111.1	E502 G506 K507 R511 K512 T513 R923	E502-T509 WeakPolarHBondContact O-CG2 3.43Å; G506-T509 WeakPolarHBondContact O-CB 3.08Å; G506-T509 PolarHBondContact O-N 3.44Å; G506-T509 VanDerWaalsContact O-N 3.14Å; G506-T509 PolarHBondContact O-OG1 3.45Å; K507-T509 PolarHBondContact O-N 3.07Å; K507-T509 PolarHBondContact O-OG1 3.01Å; T509-R511 PolarHBondContact O-N 2.98Å; T509-K512 PolarHBondContact O-N 3.48Å; T509-T513 PolarHBondContact O-N 2.95Å; T509-T513 PolarHBondContact O-OG1 3.09Å; T509-R923 HydrophobicContact CG2-CG 4.45Å; T509-R923 PolarHBondContact OG1-NE 3.37Å
510	M	89.3	Confident	89	Confident	91 Å²	91	52.5 Å²	52.5	45%	0.448	26%	0.258	S	S	.	.	H	α-helix	trans	-51.1	-43.6	174.6	-78.1	-63	-70.8	0	0	113	I504 T513 I514	I504-M510 VanDerWaalsContact CA-SD 3.59Å; I504-M510 HydrophobicContact CB-SD 4Å; I504-M510 HydrophobicContact CG1-SD 4.15Å; I504-M510 HydrophobicContact CG2-SD 3.74Å; I504-M510 WeakPolarHBondContact O-CG 3.28Å; M510-T513 PolarHBondContact O-N 2.98Å; M510-I514 HydrophobicContact CE-CD1 4.37Å; M510-I514 WeakPolarHBondContact O-CB 3.3Å; M510-I514 VanDerWaalsContact O-CG1 3.24Å; M510-I514 WeakPolarHBondContact O-CG1 3.48Å; M510-I514 PolarHBondContact O-N 2.95Å
511	R	88.7	Confident	89.3	Confident	60 Å²	60	52.9 Å²	52.9	23%	0.226	26%	0.257	C	S	.	.	H	α-helix	trans	-61.4	-48.7	178.1	-176.5	-176.8	78.4	-151.9	4.5	111.8	N508 T509 I514 S515 E776 I777	N508-R511 PolarHBondContact O-N 3.1Å; T509-R511 PolarHBondContact O-N 2.98Å; R511-I514 PolarHBondContact O-N 2.64Å; R511-S515 WeakPolarHBondContact O-CB 3.49Å; R511-S515 PolarHBondContact O-N 3.12Å; R511-E776 IonicContact CZ-OE2 2.79Å; R511-E776 IonicContact NH2-OE2 3.88Å; R511-E776 PolarHBondContact NH2-OE2 3.37Å; R511-I777 HydrophobicContact CG-CG1 4.43Å
512	K	90.1	Very high	89.4	Confident	9 Å²	9	51.9 Å²	51.9	4%	0.039	25%	0.248	C	C	.	.	H	α-helix	trans	-64	-42.3	-179.7	-156.8	78.9	179.2	177.7	0	111.2	N508 T509 S515 T516 E776 D780 A901	N508-K512 PolarHBondContact O-N 3.06Å; T509-K512 PolarHBondContact O-N 3.48Å; K512-S515 PolarHBondContact O-N 3.43Å; K512-T516 WeakPolarHBondContact O-CB 3.11Å; K512-T516 PolarHBondContact O-N 3.16Å; K512-T516 PolarHBondContact O-OG1 3.22Å; K512-E776 IonicContact NZ-OE1 3.21Å; K512-E776 PolarHBondContact NZ-OE1 3.09Å; K512-D780 WeakPolarHBondContact CD-OD2 3.45Å; K512-D780 WeakPolarHBondContact CE-OD2 3.18Å; K512-D780 IonicContact NZ-OD1 3.54Å; K512-D780 PolarHBondContact NZ-OD1 2.83Å; K512-D780 IonicContact NZ-OD2 2.89Å; K512-D780 PolarHBondContact NZ-OD2 2.96Å; K512-A901 WeakPolarHBondContact CE-O 3.28Å; K512-A901 WeakPolarHBondContact CG-O 3.37Å
513	T	93.4	Very high	89.7	Confident	6 Å²	6	49.2 Å²	49.2	4%	0.037	24%	0.236	C	C	.	.	H	α-helix	trans	-59.8	-49.1	175.5	-55.6	0	0	0	0	111.2	G503 T509 M510 T516 I517 T928	G503-T513 WeakPolarHBondContact O-CB 3.21Å; G503-T513 PolarHBondContact O-OG1 2.89Å; T509-T513 PolarHBondContact O-N 2.95Å; T509-T513 PolarHBondContact O-OG1 3.09Å; M510-T513 PolarHBondContact O-N 2.98Å; T513-T516 PolarHBondContact O-N 3Å; T513-I517 HydrophobicContact CG2-CD1 4.04Å; T513-I517 WeakPolarHBondContact O-CD1 3.46Å; T513-I517 VanDerWaalsContact O-CG1 3.26Å; T513-I517 WeakPolarHBondContact O-CG1 3.34Å; T513-I517 PolarHBondContact O-N 3.2Å; T513-T928 HydrophobicContact CG2-CG2 3.8Å
514	I	93.1	Very high	90.1	Very high	86 Å²	86	49.2 Å²	49.2	44%	0.441	24%	0.236	S	C	.	.	H	α-helix	trans	-62.8	-45.6	178.9	-69.6	165.9	0	0	0	111.4	M510 R511 T516 I517 I518	M510-I514 HydrophobicContact CE-CD1 4.37Å; M510-I514 WeakPolarHBondContact O-CB 3.3Å; M510-I514 VanDerWaalsContact O-CG1 3.24Å; M510-I514 WeakPolarHBondContact O-CG1 3.48Å; M510-I514 PolarHBondContact O-N 2.95Å; R511-I514 PolarHBondContact O-N 2.64Å; I514-T516 VanDerWaalsContact C-N 3.33Å; I514-T516 PolarHBondContact O-N 3.35Å; I514-I517 WeakPolarHBondContact O-CB 3.21Å; I514-I517 PolarHBondContact O-N 3.42Å; I514-I518 HydrophobicContact CG2-CD1 4.14Å; I514-I518 PolarHBondContact O-N 3.18Å
515	S	92.6	Very high	90.2	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.014	21%	0.213	C	C	.	.	H	α-helix	trans	-63.3	-41.5	178.6	-167	0	0	0	0	111.7	R511 K512 I517 I518 F519 D780 F781	R511-S515 WeakPolarHBondContact O-CB 3.49Å; R511-S515 PolarHBondContact O-N 3.12Å; K512-S515 PolarHBondContact O-N 3.43Å; S515-I517 PolarHBondContact O-N 3.23Å; S515-I518 PolarHBondContact O-N 2.9Å; S515-F519 WeakPolarHBondContact O-CB 3.43Å; S515-F519 PolarHBondContact O-N 2.57Å; S515-D780 WeakPolarHBondContact OG-CB 3.46Å; S515-F781 WeakPolarHBondContact OG-CD2 3.15Å; S515-F781 VanDerWaalsContact OG-CE2 3.23Å; S515-F781 WeakPolarHBondContact OG-CE2 3.36Å; S515-F781 WeakPolarHBondContact OG-CZ 3.2Å
516	T	93.8	Very high	90.5	Very high	2 Å²	2	35 Å²	35	1%	0.012	18%	0.176	C	C	.	.	H	α-helix	trans	-62.8	-40.2	174.9	-56.9	0	0	0	0	112.4	K512 T513 I514 I518 F519 L520 H898 A901 L902 T928	K512-T516 WeakPolarHBondContact O-CB 3.11Å; K512-T516 PolarHBondContact O-N 3.16Å; K512-T516 PolarHBondContact O-OG1 3.22Å; T513-T516 PolarHBondContact O-N 3Å; I514-T516 VanDerWaalsContact C-N 3.33Å; I514-T516 PolarHBondContact O-N 3.35Å; T516-I518 VanDerWaalsContact C-N 3.3Å; T516-I518 PolarHBondContact O-N 3.49Å; T516-F519 PolarHBondContact O-N 3.2Å; T516-L520 WeakPolarHBondContact O-CB 3.42Å; T516-L520 PolarHBondContact O-N 3.35Å; T516-H898 VanDerWaalsContact CG2-CD2 3.47Å; T516-H898 WeakPolarHBondContact CG2-CD2 3.27Å; T516-A901 HydrophobicContact CG2-CB 3.87Å; T516-A901 PolarHBondContact OG1-O 3.18Å; T516-L902 HydrophobicContact CG2-CD1 4.29Å; T516-L902 HydrophobicContact CG2-CD2 4.38Å; T516-L902 HydrophobicContact CG2-CG 3.98Å; T516-T928 HydrophobicContact CG2-CG2 3.9Å
517	I	95.9	Very high	90.9	Very high	16 Å²	16	32.8 Å²	32.8	8%	0.082	15%	0.154	C	C	.	.	H	α-helix	trans	-57.1	-46.8	175.9	-73.7	160.2	0	0	0	110.5	T513 I514 S515 L520 Y521 T928 I931 L935	T513-I517 HydrophobicContact CG2-CD1 4.04Å; T513-I517 WeakPolarHBondContact O-CD1 3.46Å; T513-I517 VanDerWaalsContact O-CG1 3.26Å; T513-I517 WeakPolarHBondContact O-CG1 3.34Å; T513-I517 PolarHBondContact O-N 3.2Å; I514-I517 WeakPolarHBondContact O-CB 3.21Å; I514-I517 PolarHBondContact O-N 3.42Å; S515-I517 PolarHBondContact O-N 3.23Å; I517-L520 PolarHBondContact O-N 3.07Å; I517-Y521 WeakPolarHBondContact O-CB 3.34Å; I517-Y521 PolarHBondContact O-N 3.49Å; I517-T928 HydrophobicContact CG1-CG2 4.16Å; I517-I931 HydrophobicContact CD1-CB 4.07Å; I517-I931 HydrophobicContact CD1-CD1 3.89Å; I517-I931 HydrophobicContact CD1-CG2 4.1Å; I517-I931 HydrophobicContact CG1-CB 4.33Å; I517-I931 HydrophobicContact CG1-CG2 4.49Å; I517-I931 HydrophobicContact CG2-CB 4.36Å; I517-I931 HydrophobicContact CG2-CG2 3.84Å; I517-L935 HydrophobicContact CG2-CD1 3.75Å
518	I	93.9	Very high	91.6	Very high	56 Å²	56	24.3 Å²	24.3	29%	0.287	12%	0.117	S	C	.	.	H	α-helix	trans	-70.1	-42.8	-178.3	-64.4	167.7	0	0	0	110.6	I514 S515 T516 L520 Y521 F522 F781 P784	I514-I518 HydrophobicContact CG2-CD1 4.14Å; I514-I518 PolarHBondContact O-N 3.18Å; S515-I518 PolarHBondContact O-N 2.9Å; T516-I518 VanDerWaalsContact C-N 3.3Å; T516-I518 PolarHBondContact O-N 3.49Å; I518-L520 PolarHBondContact O-N 3.31Å; I518-Y521 PolarHBondContact O-N 2.91Å; I518-F522 HydrophobicContact CG2-CD2 4.31Å; I518-F522 HydrophobicContact CG2-CE2 4.27Å; I518-F522 WeakPolarHBondContact O-CD2 3.46Å; I518-F522 PolarHBondContact O-N 2.93Å; I518-F781 HydrophobicContact CB-CE1 3.83Å; I518-F781 HydrophobicContact CD1-CE1 3.54Å; I518-F781 HydrophobicContact CD1-CZ 3.92Å; I518-F781 HydrophobicContact CG1-CE1 4.26Å; I518-F781 HydrophobicContact CG2-CD1 4.2Å; I518-F781 HydrophobicContact CG2-CE1 3.85Å; I518-P784 HydrophobicContact CG2-CB 4.11Å; I518-P784 HydrophobicContact CG2-CG 3.85Å
519	F	93	Very high	91.9	Very high	12 Å²	12	20.8 Å²	20.8	5%	0.053	10%	0.098	C	C	.	.	H	α-helix	trans	-55.1	-50.7	172	168.5	-99	0	0	0	111.5	S515 T516 Y521 F522 A523 L783 L897 A901 Y961	S515-F519 WeakPolarHBondContact O-CB 3.43Å; S515-F519 PolarHBondContact O-N 2.57Å; T516-F519 PolarHBondContact O-N 3.2Å; F519-Y521 VanDerWaalsContact C-N 3.34Å; F519-Y521 PolarHBondContact O-N 2.81Å; F519-F522 PolarHBondContact O-N 2.85Å; F519-A523 HydrophobicContact CE1-CB 4.41Å; F519-A523 HydrophobicContact CZ-CB 4.4Å; F519-A523 VanDerWaalsContact O-CB 3.29Å; F519-A523 WeakPolarHBondContact O-CB 3.3Å; F519-A523 PolarHBondContact O-N 3.21Å; F519-L783 HydrophobicContact CD2-CB 3.98Å; F519-L783 HydrophobicContact CD2-CD2 3.96Å; F519-L783 HydrophobicContact CE2-CB 4Å; F519-L783 HydrophobicContact CE2-CD2 3.67Å; F519-L783 HydrophobicContact CE2-CG 4.48Å; F519-L783 HydrophobicContact CZ-CD2 4.49Å; F519-L897 HydrophobicContact CE1-CB 4.2Å; F519-L897 HydrophobicContact CZ-CB 4.07Å; F519-A901 HydrophobicContact CD1-CB 4.28Å; F519-Y961 HydrophobicContact CE2-CE1 4.48Å
520	L	94.1	Very high	91.8	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-67.5	-34.5	-176.4	-170.2	62	0	0	0	112.2	T516 I517 I518 A523 C524 V569 L929 S932	T516-L520 WeakPolarHBondContact O-CB 3.42Å; T516-L520 PolarHBondContact O-N 3.35Å; I517-L520 PolarHBondContact O-N 3.07Å; I518-L520 PolarHBondContact O-N 3.31Å; L520-A523 PolarHBondContact O-N 3.19Å; L520-C524 VanDerWaalsContact CD1-SG 3.51Å; L520-C524 WeakPolarHBondContact O-CB 3.01Å; L520-C524 PolarHBondContact O-N 3.23Å; L520-C524 PolarHBondContact O-SG 3.47Å; L520-V569 HydrophobicContact CD1-CG1 4.06Å; L520-V569 HydrophobicContact CD1-CG2 3.8Å; L520-V569 HydrophobicContact CD2-CG2 4.47Å; L520-L929 HydrophobicContact CD2-CD1 4.19Å; L520-S932 VanDerWaalsContact CD2-OG 3.3Å; L520-S932 WeakPolarHBondContact CD2-OG 3.35Å
521	Y	94.6	Very high	91.8	Very high	46 Å²	46	17.6 Å²	17.6	18%	0.18	8%	0.084	C	C	.	.	H	α-helix	trans	-55.6	-55.3	172.7	168.6	-104.7	0	0	0	111.5	I517 I518 F519 C524 L525 L935 I936	I517-Y521 WeakPolarHBondContact O-CB 3.34Å; I517-Y521 PolarHBondContact O-N 3.49Å; I518-Y521 PolarHBondContact O-N 2.91Å; F519-Y521 VanDerWaalsContact C-N 3.34Å; F519-Y521 PolarHBondContact O-N 2.81Å; Y521-C524 PolarHBondContact O-N 3.46Å; Y521-L525 HydrophobicContact CE1-CD2 4.08Å; Y521-L525 HydrophobicContact CE2-CD2 3.79Å; Y521-L525 VanDerWaalsContact CZ-CD2 3.47Å; Y521-L525 WeakPolarHBondContact O-CB 3.27Å; Y521-L525 PolarHBondContact O-N 2.8Å; Y521-L525 WeakPolarHBondContact OH-CD2 3.42Å; Y521-L935 HydrophobicContact CD2-CB 3.56Å; Y521-L935 HydrophobicContact CE2-CB 3.92Å; Y521-L935 HydrophobicContact CG-CB 4.34Å; Y521-I936 HydrophobicContact CD2-CG1 3.93Å; Y521-I936 HydrophobicContact CE2-CG1 4.37Å
522	F	91.5	Very high	91.8	Very high	30 Å²	30	14.7 Å²	14.7	13%	0.132	7%	0.074	C	C	.	.	H	α-helix	trans	-66.9	-40	178.1	-78.8	-79.9	0	0	0	112.3	I518 F519 C524 L526 P784 V787 V788	I518-F522 HydrophobicContact CG2-CD2 4.31Å; I518-F522 HydrophobicContact CG2-CE2 4.27Å; I518-F522 WeakPolarHBondContact O-CD2 3.46Å; I518-F522 PolarHBondContact O-N 2.93Å; F519-F522 PolarHBondContact O-N 2.85Å; F522-C524 VanDerWaalsContact C-N 3.28Å; F522-C524 PolarHBondContact O-N 3.1Å; F522-L526 HydrophobicContact CB-CD1 4.48Å; F522-L526 HydrophobicContact CD1-CD1 4.1Å; F522-L526 WeakPolarHBondContact O-CB 3.26Å; F522-L526 WeakPolarHBondContact O-CG 3.49Å; F522-L526 PolarHBondContact O-N 3.06Å; F522-P784 HydrophobicContact CD2-CB 3.74Å; F522-P784 HydrophobicContact CD2-CG 3.85Å; F522-P784 HydrophobicContact CE2-CB 3.88Å; F522-P784 HydrophobicContact CE2-CG 4.42Å; F522-V787 HydrophobicContact CD1-CG1 4.06Å; F522-V787 HydrophobicContact CE1-CG1 4.14Å; F522-V788 HydrophobicContact CE1-CG2 4.32Å; F522-V788 HydrophobicContact CZ-CG2 3.91Å
523	A	92	Very high	91.5	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.7	-31.2	-179.9	0	0	0	0	0	112.8	F519 L520 P527 L783 H894	F519-A523 HydrophobicContact CE1-CB 4.41Å; F519-A523 HydrophobicContact CZ-CB 4.4Å; F519-A523 VanDerWaalsContact O-CB 3.29Å; F519-A523 WeakPolarHBondContact O-CB 3.3Å; F519-A523 PolarHBondContact O-N 3.21Å; L520-A523 PolarHBondContact O-N 3.19Å; A523-P527 WeakPolarHBondContact O-CD 3.33Å; A523-P527 WeakPolarHBondContact O-CG 3.47Å; A523-L783 HydrophobicContact CB-CD2 4.08Å; A523-H894 PolarHBondContact O-CE1 2.93Å; A523-H894 PolarHBondContact O-ND1 3.33Å
524	C	93.9	Very high	91.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-96.3	-37.6	179.7	-59.1	0	0	0	0	113.1	L520 Y521 F522 S528 L571 I936	L520-C524 VanDerWaalsContact CD1-SG 3.51Å; L520-C524 WeakPolarHBondContact O-CB 3.01Å; L520-C524 PolarHBondContact O-N 3.23Å; L520-C524 PolarHBondContact O-SG 3.47Å; Y521-C524 PolarHBondContact O-N 3.46Å; F522-C524 VanDerWaalsContact C-N 3.28Å; F522-C524 PolarHBondContact O-N 3.1Å; C524-S528 WeakPolarHBondContact O-CB 3.33Å; C524-S528 PolarHBondContact O-N 3.07Å; C524-S528 PolarHBondContact O-OG 2.84Å; C524-L571 HydrophobicContact CB-CD1 4.05Å; C524-I936 HydrophobicContact CB-CD1 3.62Å
525	L	92	Very high	91.1	Very high	3 Å²	3	15.5 Å²	15.5	2%	0.016	8%	0.078	C	C	.	.	H	α-helix	trans	-63.9	-47.8	-177.6	177.7	63.4	0	0	0	111.7	Y521 S528 I529 I549 I936 S939 L947	Y521-L525 HydrophobicContact CE1-CD2 4.08Å; Y521-L525 HydrophobicContact CE2-CD2 3.79Å; Y521-L525 VanDerWaalsContact CZ-CD2 3.47Å; Y521-L525 WeakPolarHBondContact O-CB 3.27Å; Y521-L525 PolarHBondContact O-N 2.8Å; Y521-L525 WeakPolarHBondContact OH-CD2 3.42Å; L525-S528 WeakPolarHBondContact O-CB 3.41Å; L525-S528 PolarHBondContact O-N 3.19Å; L525-S528 VanDerWaalsContact O-N 3.16Å; L525-I529 HydrophobicContact CD1-CD1 4.1Å; L525-I529 HydrophobicContact CD1-CG1 4.36Å; L525-I529 HydrophobicContact CG-CD1 3.9Å; L525-I529 WeakPolarHBondContact O-CG1 3.11Å; L525-I529 PolarHBondContact O-N 3.2Å; L525-I549 HydrophobicContact CD1-CD1 4.16Å; L525-I549 HydrophobicContact CD1-CG1 4.47Å; L525-I936 HydrophobicContact CB-CG1 4.37Å; L525-I936 HydrophobicContact CD1-CG2 4.28Å; L525-S939 WeakPolarHBondContact CD1-OG 3.33Å; L525-L947 HydrophobicContact CD2-CD2 4.39Å
526	L	90.2	Very high	90.9	Very high	4 Å²	4	16.3 Å²	16.3	2%	0.021	8%	0.084	C	C	.	.	H	α-helix	trans	-66.6	-47	-171.9	-68.8	176.7	0	0	0	113.1	F522 S528 I529 A530 V787 I950 L955 L958	F522-L526 HydrophobicContact CB-CD1 4.48Å; F522-L526 HydrophobicContact CD1-CD1 4.1Å; F522-L526 WeakPolarHBondContact O-CB 3.26Å; F522-L526 WeakPolarHBondContact O-CG 3.49Å; F522-L526 PolarHBondContact O-N 3.06Å; L526-S528 VanDerWaalsContact C-N 3.26Å; L526-S528 PolarHBondContact O-N 3.23Å; L526-I529 HydrophobicContact CD2-CD1 4.4Å; L526-I529 PolarHBondContact O-N 3.4Å; L526-A530 PolarHBondContact O-N 3.43Å; L526-V787 HydrophobicContact CD1-CG1 3.81Å; L526-V787 HydrophobicContact CD1-CG2 3.94Å; L526-I950 HydrophobicContact CD2-CD1 3.87Å; L526-I950 HydrophobicContact CD2-CG2 4.13Å; L526-L955 HydrophobicContact CB-CD1 3.66Å; L526-L955 WeakPolarHBondContact O-CD1 3.49Å; L526-L958 HydrophobicContact CB-CD2 3.5Å; L526-L958 VanDerWaalsContact CB-CD2 3.5Å; L526-L958 HydrophobicContact CD1-CD2 3.65Å; L526-L958 HydrophobicContact CG-CD2 4.23Å
527	P	90.3	Very high	90.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.5	-34	171.2	-21.9	33.2	0	0	0	113	A523 I529 A530 F531 L571 L958 F959 M962	A523-P527 WeakPolarHBondContact O-CD 3.33Å; A523-P527 WeakPolarHBondContact O-CG 3.47Å; P527-I529 VanDerWaalsContact C-N 3.32Å; P527-I529 PolarHBondContact O-N 2.93Å; P527-A530 WeakPolarHBondContact O-CB 3.24Å; P527-A530 PolarHBondContact O-N 2.82Å; P527-F531 HydrophobicContact CB-CD2 4.36Å; P527-F531 HydrophobicContact CB-CE2 4.13Å; P527-F531 WeakPolarHBondContact O-CD2 3.18Å; P527-F531 WeakPolarHBondContact O-CG 3.46Å; P527-F531 PolarHBondContact O-N 3.4Å; P527-L571 HydrophobicContact CB-CD2 4.08Å; P527-L571 HydrophobicContact CG-CD2 4.42Å; P527-L958 HydrophobicContact CG-CD2 4.48Å; P527-F959 HydrophobicContact CB-CE1 4.02Å; P527-F959 HydrophobicContact CG-CE1 4.03Å; P527-M962 HydrophobicContact CG-CE 4.05Å
528	S	91.7	Very high	90.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.7	-39.3	176.1	-60.7	0	0	0	0	111.8	C524 L525 L526 G532 V548 L571	C524-S528 WeakPolarHBondContact O-CB 3.33Å; C524-S528 PolarHBondContact O-N 3.07Å; C524-S528 PolarHBondContact O-OG 2.84Å; L525-S528 WeakPolarHBondContact O-CB 3.41Å; L525-S528 PolarHBondContact O-N 3.19Å; L525-S528 VanDerWaalsContact O-N 3.16Å; L526-S528 VanDerWaalsContact C-N 3.26Å; L526-S528 PolarHBondContact O-N 3.23Å; S528-G532 PolarHBondContact O-N 3.11Å; S528-V548 WeakPolarHBondContact O-CG1 3.3Å; S528-L571 WeakPolarHBondContact OG-CD1 3.49Å
529	I	87.9	Confident	90	Very high	7 Å²	7	22.2 Å²	22.2	4%	0.036	11%	0.108	C	C	.	.	H	α-helix	trans	-64.9	-46.8	173.3	-65.5	164.5	0	0	0	110.4	L525 L526 P527 F531 G532 L533 V545 I549 F806 L947	L525-I529 HydrophobicContact CD1-CD1 4.1Å; L525-I529 HydrophobicContact CD1-CG1 4.36Å; L525-I529 HydrophobicContact CG-CD1 3.9Å; L525-I529 WeakPolarHBondContact O-CG1 3.11Å; L525-I529 PolarHBondContact O-N 3.2Å; L526-I529 HydrophobicContact CD2-CD1 4.4Å; L526-I529 PolarHBondContact O-N 3.4Å; P527-I529 VanDerWaalsContact C-N 3.32Å; P527-I529 PolarHBondContact O-N 2.93Å; I529-F531 PolarHBondContact O-N 3.41Å; I529-G532 PolarHBondContact O-N 3.43Å; I529-L533 HydrophobicContact CG2-CD1 3.95Å; I529-L533 WeakPolarHBondContact O-CG 3.27Å; I529-L533 PolarHBondContact O-N 2.87Å; I529-V545 HydrophobicContact CB-CG1 4.46Å; I529-V545 HydrophobicContact CG1-CG1 4.19Å; I529-V545 HydrophobicContact CG2-CG1 4.42Å; I529-I549 HydrophobicContact CG1-CD1 4.13Å; I529-F806 HydrophobicContact CG2-CD2 4.47Å; I529-F806 HydrophobicContact CG2-CE2 4.32Å; I529-F806 HydrophobicContact CG2-CZ 4.35Å; I529-L947 HydrophobicContact CD1-CD2 3.79Å
530	A	86.3	Confident	89.7	Confident	16 Å²	16	26.7 Å²	26.7	13%	0.132	13%	0.133	C	C	.	.	H	α-helix	trans	-55	-52.3	178.2	0	0	0	0	0	112.1	L526 P527 G532 L533 L534 L955 F959	L526-A530 PolarHBondContact O-N 3.43Å; P527-A530 WeakPolarHBondContact O-CB 3.24Å; P527-A530 PolarHBondContact O-N 2.82Å; A530-G532 VanDerWaalsContact C-N 3.32Å; A530-G532 PolarHBondContact O-N 3.15Å; A530-L533 PolarHBondContact O-N 3.26Å; A530-L534 PolarHBondContact O-N 2.95Å; A530-L955 HydrophobicContact CB-CD1 4.22Å; A530-L955 HydrophobicContact CB-CD2 3.31Å; A530-L955 HydrophobicContact CB-CG 4.14Å; A530-F959 HydrophobicContact CB-CE2 4.26Å; A530-F959 HydrophobicContact CB-CZ 3.65Å
531	F	88.3	Confident	89.2	Confident	13 Å²	13	31.4 Å²	31.4	6%	0.057	15%	0.153	C	C	.	.	H	α-helix	trans	-70	-30.7	180	-65.8	-48.9	0	0	0	112	P527 I529 L534 N535 S572 A574	P527-F531 HydrophobicContact CB-CD2 4.36Å; P527-F531 HydrophobicContact CB-CE2 4.13Å; P527-F531 WeakPolarHBondContact O-CD2 3.18Å; P527-F531 WeakPolarHBondContact O-CG 3.46Å; P527-F531 PolarHBondContact O-N 3.4Å; I529-F531 PolarHBondContact O-N 3.41Å; F531-L534 HydrophobicContact CD1-CD2 4.37Å; F531-L534 PolarHBondContact O-N 3.09Å; F531-N535 VanDerWaalsContact O-CB 3.24Å; F531-N535 WeakPolarHBondContact O-CB 3.5Å; F531-N535 PolarHBondContact O-N 3.29Å; F531-N535 PolarHBondContact O-ND2 3.21Å; F531-N535 VanDerWaalsContact O-ND2 3.09Å; F531-S572 WeakPolarHBondContact CD2-O 3.46Å; F531-S572 WeakPolarHBondContact CE2-O 3.44Å; F531-A574 HydrophobicContact CE1-CB 3.76Å; F531-A574 HydrophobicContact CZ-CB 4.03Å
532	G	88.7	Confident	88.8	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.6	-45.4	170.5	0	0	0	0	0	113.3	S528 I529 A530 N535 S536	S528-G532 PolarHBondContact O-N 3.11Å; I529-G532 PolarHBondContact O-N 3.43Å; A530-G532 VanDerWaalsContact C-N 3.32Å; A530-G532 PolarHBondContact O-N 3.15Å; G532-N535 PolarHBondContact O-N 2.64Å; G532-S536 WeakPolarHBondContact O-CB 3.46Å; G532-S536 PolarHBondContact O-N 3.21Å
533	L	85.2	Confident	88.7	Confident	42 Å²	42	31.5 Å²	31.5	22%	0.22	15%	0.154	C	C	.	.	H	α-helix	trans	-68.1	-41.9	177.4	-66.3	159.4	0	0	0	111.5	I529 A530 N535 S536 K537 V545 F806	I529-L533 HydrophobicContact CG2-CD1 3.95Å; I529-L533 WeakPolarHBondContact O-CG 3.27Å; I529-L533 PolarHBondContact O-N 2.87Å; A530-L533 PolarHBondContact O-N 3.26Å; L533-N535 VanDerWaalsContact C-N 3.32Å; L533-N535 PolarHBondContact O-N 3.03Å; L533-S536 PolarHBondContact O-N 2.86Å; L533-K537 PolarHBondContact O-N 3.3Å; L533-V545 HydrophobicContact CD2-CG2 3.81Å; L533-V545 HydrophobicContact CG-CG2 3.71Å; L533-F806 HydrophobicContact CD1-CB 4.39Å; L533-F806 HydrophobicContact CD1-CD1 3.1Å; L533-F806 HydrophobicContact CD1-CE1 3.41Å; L533-F806 VanDerWaalsContact CD1-CE1 3.41Å; L533-F806 HydrophobicContact CD1-CG 3.94Å; L533-F806 HydrophobicContact CD1-CZ 4.45Å; L533-F806 HydrophobicContact CD2-CB 4.27Å; L533-F806 HydrophobicContact CD2-CD1 4.35Å; L533-F806 HydrophobicContact CG-CD1 4.32Å
534	L	85.4	Confident	88.4	Confident	75 Å²	75	32.9 Å²	32.9	39%	0.393	16%	0.162	S	C	.	.	H	α-helix	trans	-60.7	-42.8	175.2	-179.4	60.4	0	0	0	111.5	A530 F531 K537 N538 A577	A530-L534 PolarHBondContact O-N 2.95Å; F531-L534 HydrophobicContact CD1-CD2 4.37Å; F531-L534 PolarHBondContact O-N 3.09Å; L534-K537 PolarHBondContact O-N 3.21Å; L534-N538 WeakPolarHBondContact O-CB 3.23Å; L534-N538 PolarHBondContact O-N 3.38Å; L534-N538 PolarHBondContact O-ND2 2.8Å; L534-A577 HydrophobicContact CD2-CB 4.03Å
535	N	90.7	Very high	88.1	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-67.9	-38.9	177.3	-73.1	-26.9	0	0	0	112	F531 G532 L533 K537 N538 T539 M543 A577	F531-N535 VanDerWaalsContact O-CB 3.24Å; F531-N535 WeakPolarHBondContact O-CB 3.5Å; F531-N535 PolarHBondContact O-N 3.29Å; F531-N535 PolarHBondContact O-ND2 3.21Å; F531-N535 VanDerWaalsContact O-ND2 3.09Å; G532-N535 PolarHBondContact O-N 2.64Å; L533-N535 VanDerWaalsContact C-N 3.32Å; L533-N535 PolarHBondContact O-N 3.03Å; N535-K537 VanDerWaalsContact C-N 3.33Å; N535-K537 PolarHBondContact O-N 3.41Å; N535-N538 PolarHBondContact O-N 2.91Å; N535-T539 WeakPolarHBondContact O-CB 3.22Å; N535-T539 WeakPolarHBondContact O-CG2 3.24Å; N535-T539 PolarHBondContact O-N 2.74Å; N535-T539 PolarHBondContact O-OG1 3.27Å; N535-M543 CarbonylContact C-O 3.35Å; N535-M543 HydrophobicContact CB-CB 4.16Å; N535-M543 HydrophobicContact CB-CG 3.93Å; N535-M543 WeakPolarHBondContact CB-O 3.19Å; N535-A577 WeakPolarHBondContact OD1-CA 3.42Å; N535-A577 VanDerWaalsContact OD1-CB 3.29Å; N535-A577 WeakPolarHBondContact OD1-CB 3.47Å
536	S	88.8	Confident	88	Confident	20 Å²	20	33.9 Å²	33.9	14%	0.14	17%	0.168	C	C	.	.	H	α-helix	trans	-60.6	-46.4	176.3	-172.6	0	0	0	0	110.1	G532 L533 N538 T539 D540 K541 M543 D544	G532-S536 WeakPolarHBondContact O-CB 3.46Å; G532-S536 PolarHBondContact O-N 3.21Å; L533-S536 PolarHBondContact O-N 2.86Å; S536-N538 PolarHBondContact O-N 2.76Å; S536-T539 PolarHBondContact O-N 2.8Å; S536-D540 PolarHBondContact O-N 3.35Å; S536-K541 PolarHBondContact O-N 2.83Å; S536-M543 VanDerWaalsContact CA-O 3.25Å; S536-M543 WeakPolarHBondContact CA-O 3.3Å; S536-M543 PolarHBondContact N-O 3.2Å; S536-D544 VanDerWaalsContact CB-OD1 3.3Å; S536-D544 WeakPolarHBondContact CB-OD1 3.5Å; S536-D544 PolarHBondContact OG-OD1 2.89Å
537	K	86.7	Confident	87.9	Confident	170 Å²	170	35.5 Å²	35.5	74%	0.739	17%	0.174	S	C	*	.	H	α-helix	trans	-63.4	-37.5	174.2	-175.1	177.2	179.9	178.1	0	113.3	L533 L534 N535 T539	L533-K537 PolarHBondContact O-N 3.3Å; L534-K537 PolarHBondContact O-N 3.21Å; N535-K537 VanDerWaalsContact C-N 3.33Å; N535-K537 PolarHBondContact O-N 3.41Å; K537-T539 VanDerWaalsContact C-N 3.33Å
538	N	88.6	Confident	88	Confident	28 Å²	28	35.5 Å²	35.5	15%	0.15	17%	0.174	C	C	.	.	H	α-helix	trans	-78.5	-14.9	-177.9	-76.5	-30.2	0	0	0	114.1	L534 N535 S536 K581 Y584	L534-N538 WeakPolarHBondContact O-CB 3.23Å; L534-N538 PolarHBondContact O-N 3.38Å; L534-N538 PolarHBondContact O-ND2 2.8Å; N535-N538 PolarHBondContact O-N 2.91Å; S536-N538 PolarHBondContact O-N 2.76Å; N538-K581 HydrophobicContact CB-CB 3.98Å; N538-K581 HydrophobicContact CB-CD 4.42Å; N538-K581 HydrophobicContact CB-CG 4.07Å; N538-Y584 WeakPolarHBondContact O-CD1 3.45Å
539	T	90.3	Very high	88.1	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.4	20.5	-172.1	62.5	0	0	0	0	113	N535 S536 K537 K541 K542 M543 I580 Y584 F594	N535-T539 WeakPolarHBondContact O-CB 3.22Å; N535-T539 WeakPolarHBondContact O-CG2 3.24Å; N535-T539 PolarHBondContact O-N 2.74Å; N535-T539 PolarHBondContact O-OG1 3.27Å; S536-T539 PolarHBondContact O-N 2.8Å; K537-T539 VanDerWaalsContact C-N 3.33Å; T539-K541 VanDerWaalsContact C-N 3.28Å; T539-K541 PolarHBondContact O-N 3.36Å; T539-K542 WeakPolarHBondContact O-CB 3.38Å; T539-K542 WeakPolarHBondContact O-CG 3.34Å; T539-K542 PolarHBondContact O-N 2.77Å; T539-M543 HydrophobicContact CG2-CB 4.19Å; T539-M543 WeakPolarHBondContact OG1-CB 3.45Å; T539-M543 PolarHBondContact OG1-N 2.9Å; T539-I580 HydrophobicContact CG2-CG2 3.45Å; T539-I580 VanDerWaalsContact CG2-CG2 3.45Å; T539-Y584 HydrophobicContact CG2-CD2 4.22Å; T539-Y584 HydrophobicContact CG2-CG 4.13Å; T539-Y584 WeakPolarHBondContact O-CE2 3.45Å; T539-F594 HydrophobicContact CG2-CZ 4.09Å
540	D	86.6	Confident	88.3	Confident	106 Å²	106	37.2 Å²	37.2	57%	0.567	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.7	52.4	-175.6	-56.9	-42.8	0	0	0	112.3	S536 K542 Y584	S536-D540 PolarHBondContact O-N 3.35Å; D540-K542 VanDerWaalsContact C-N 3.27Å; D540-K542 PolarHBondContact O-N 2.94Å; D540-Y584 WeakPolarHBondContact CB-OH 3.22Å; D540-Y584 WeakPolarHBondContact OD2-CE1 3.35Å; D540-Y584 PolarHBondContact OD2-OH 3.1Å
541	K	83.9	Confident	88.7	Confident	100 Å²	100	36.4 Å²	36.4	44%	0.435	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	15.4	179.9	-50.4	175.6	173.5	-176	0	115.9	S536 T539 D544 E809	S536-K541 PolarHBondContact O-N 2.83Å; T539-K541 VanDerWaalsContact C-N 3.28Å; T539-K541 PolarHBondContact O-N 3.36Å; K541-D544 VanDerWaalsContact CA-OD1 3.31Å; K541-D544 WeakPolarHBondContact CA-OD1 3.24Å; K541-E809 IonicContact NZ-OE1 3.04Å; K541-E809 PolarHBondContact NZ-OE1 3.19Å; K541-E809 IonicContact NZ-OE2 3.66Å; K541-E809 PolarHBondContact NZ-OE2 3.19Å
542	K	86	Confident	89	Confident	78 Å²	78	35.9 Å²	35.9	34%	0.339	17%	0.173	S	C	.	.	S	Bend	trans	-73.6	-32	170.8	-66.8	-170.6	-167.6	165.3	0	112.2	T539 D540 R547 Y584 F594 Y595	T539-K542 WeakPolarHBondContact O-CB 3.38Å; T539-K542 WeakPolarHBondContact O-CG 3.34Å; T539-K542 PolarHBondContact O-N 2.77Å; D540-K542 VanDerWaalsContact C-N 3.27Å; D540-K542 PolarHBondContact O-N 2.94Å; K542-R547 PolarHBondContact O-NE 2.8Å; K542-Y584 HydrophobicContact CD-CD2 4.46Å; K542-Y584 HydrophobicContact CD-CE2 3.84Å; K542-Y584 HydrophobicContact CG-CE2 4.48Å; K542-F594 HydrophobicContact CB-CD1 4.13Å; K542-F594 HydrophobicContact CB-CE1 4.16Å; K542-F594 HydrophobicContact CD-CB 4.33Å; K542-F594 HydrophobicContact CD-CD1 3.93Å; K542-F594 HydrophobicContact CD-CG 4.41Å; K542-Y595 PolarHBondContact O-OH 3.31Å
543	M	88.6	Confident	89.3	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-119.7	86.6	-179.6	-168.9	62.4	73.6	0	0	112.1	N535 S536 T539 R547 Y598 P886	N535-M543 CarbonylContact C-O 3.35Å; N535-M543 HydrophobicContact CB-CB 4.16Å; N535-M543 HydrophobicContact CB-CG 3.93Å; N535-M543 WeakPolarHBondContact CB-O 3.19Å; S536-M543 VanDerWaalsContact CA-O 3.25Å; S536-M543 WeakPolarHBondContact CA-O 3.3Å; S536-M543 PolarHBondContact N-O 3.2Å; T539-M543 HydrophobicContact CG2-CB 4.19Å; T539-M543 WeakPolarHBondContact OG1-CB 3.45Å; T539-M543 PolarHBondContact OG1-N 2.9Å; M543-R547 HydrophobicContact SD-CB 3.72Å; M543-R547 HydrophobicContact SD-CG 4.34Å; M543-Y598 HydrophobicContact CE-CE1 4.44Å; M543-P886 HydrophobicContact CE-CG 4.32Å; M543-P886 HydrophobicContact CG-CG 4.13Å; M543-P886 HydrophobicContact SD-CG 3.45Å; M543-P886 WeakPolarHBondContact SD-CG 3.41Å
544	D	87.1	Confident	89.8	Confident	28 Å²	28	37 Å²	37	15%	0.15	18%	0.18	C	C	.	.			trans	-91.2	174.9	-175.9	-60.7	-31.6	0	0	0	114.7	S536 K541 T546 R547 V548	S536-D544 VanDerWaalsContact CB-OD1 3.3Å; S536-D544 WeakPolarHBondContact CB-OD1 3.5Å; S536-D544 PolarHBondContact OG-OD1 2.89Å; K541-D544 VanDerWaalsContact CA-OD1 3.31Å; K541-D544 WeakPolarHBondContact CA-OD1 3.24Å; D544-T546 VanDerWaalsContact C-N 3.31Å; D544-T546 PolarHBondContact O-N 3.07Å; D544-R547 PolarHBondContact O-N 2.9Å; D544-R547 VanDerWaalsContact O-N 3.16Å; D544-V548 PolarHBondContact O-N 2.95Å
545	V	87.8	Confident	90.3	Very high	7 Å²	7	33.5 Å²	33.5	4%	0.042	16%	0.161	C	C	.	.	H	α-helix	trans	-54.4	-43	177.1	179.9	0	0	0	0	112.3	I529 L533 R547 V548 I549	I529-V545 HydrophobicContact CB-CG1 4.46Å; I529-V545 HydrophobicContact CG1-CG1 4.19Å; I529-V545 HydrophobicContact CG2-CG1 4.42Å; L533-V545 HydrophobicContact CD2-CG2 3.81Å; L533-V545 HydrophobicContact CG-CG2 3.71Å; V545-R547 VanDerWaalsContact C-N 3.29Å; V545-R547 PolarHBondContact O-N 2.88Å; V545-V548 PolarHBondContact O-N 2.71Å; V545-V548 VanDerWaalsContact O-N 3.15Å; V545-I549 HydrophobicContact CG1-CD1 3.66Å; V545-I549 HydrophobicContact CG1-CG1 4.21Å; V545-I549 WeakPolarHBondContact O-CG1 3.23Å; V545-I549 PolarHBondContact O-N 2.83Å
546	T	88.4	Confident	90.5	Very high	17 Å²	17	33.5 Å²	33.5	10%	0.104	16%	0.161	C	C	.	.	H	α-helix	trans	-56.7	-42.8	179	-49.6	0	0	0	0	111.7	D544 I549 M550 L940	D544-T546 VanDerWaalsContact C-N 3.31Å; D544-T546 PolarHBondContact O-N 3.07Å; T546-I549 PolarHBondContact O-N 3.29Å; T546-M550 HydrophobicContact CG2-CE 3.85Å; T546-M550 HydrophobicContact CG2-SD 4.35Å; T546-M550 WeakPolarHBondContact O-CB 3.48Å; T546-M550 VanDerWaalsContact O-CG 3.31Å; T546-M550 WeakPolarHBondContact O-CG 3.33Å; T546-M550 PolarHBondContact O-N 2.7Å; T546-L940 HydrophobicContact CG2-CD2 4.08Å
547	R	89.6	Confident	90.9	Very high	38 Å²	38	34.8 Å²	34.8	14%	0.143	17%	0.166	C	C	.	.	H	α-helix	trans	-67.6	-41.5	178.3	-67.7	-178	179	-85.4	-7.3	111.5	K542 M543 D544 V545 M550 G551 F813 L885 P886	K542-R547 PolarHBondContact O-NE 2.8Å; M543-R547 HydrophobicContact SD-CB 3.72Å; M543-R547 HydrophobicContact SD-CG 4.34Å; D544-R547 PolarHBondContact O-N 2.9Å; D544-R547 VanDerWaalsContact O-N 3.16Å; V545-R547 VanDerWaalsContact C-N 3.29Å; V545-R547 PolarHBondContact O-N 2.88Å; R547-M550 PolarHBondContact O-N 3.5Å; R547-G551 PolarHBondContact O-N 3.16Å; R547-F813 HydrophobicContact CG-CD2 4.39Å; R547-F813 HydrophobicContact CG-CE2 4.04Å; R547-L885 HydrophobicContact CB-CD2 4.15Å; R547-L885 HydrophobicContact CG-CD2 4.42Å; R547-P886 WeakPolarHBondContact O-CD 3.34Å
548	V	92.3	Very high	91.4	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	14%	0.141	C	C	.	.	H	α-helix	trans	-62.3	-47.2	176.1	178.3	0	0	0	0	111.1	S528 D544 V545 M550 G551 Q552 P886	S528-V548 WeakPolarHBondContact O-CG1 3.3Å; D544-V548 PolarHBondContact O-N 2.95Å; V545-V548 PolarHBondContact O-N 2.71Å; V545-V548 VanDerWaalsContact O-N 3.15Å; V548-M550 PolarHBondContact O-N 2.9Å; V548-G551 PolarHBondContact O-N 3.18Å; V548-Q552 VanDerWaalsContact O-CB 3.23Å; V548-Q552 WeakPolarHBondContact O-CB 3.42Å; V548-Q552 PolarHBondContact O-N 3.43Å; V548-P886 HydrophobicContact CB-CG 4.19Å; V548-P886 HydrophobicContact CG2-CB 4.16Å; V548-P886 HydrophobicContact CG2-CG 3.58Å
549	I	92.6	Very high	91.8	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.3	-39.1	-179.9	-65.6	173.1	0	0	0	111.2	L525 I529 V545 T546 Q552 T553 I936 L940 I943	L525-I549 HydrophobicContact CD1-CD1 4.16Å; L525-I549 HydrophobicContact CD1-CG1 4.47Å; I529-I549 HydrophobicContact CG1-CD1 4.13Å; V545-I549 HydrophobicContact CG1-CD1 3.66Å; V545-I549 HydrophobicContact CG1-CG1 4.21Å; V545-I549 WeakPolarHBondContact O-CG1 3.23Å; V545-I549 PolarHBondContact O-N 2.83Å; T546-I549 PolarHBondContact O-N 3.29Å; I549-Q552 PolarHBondContact O-N 3.45Å; I549-T553 WeakPolarHBondContact O-CB 3.32Å; I549-T553 PolarHBondContact O-N 2.97Å; I549-T553 PolarHBondContact O-OG1 2.84Å; I549-I936 HydrophobicContact CG2-CG2 3.9Å; I549-L940 HydrophobicContact CB-CD2 3.75Å; I549-L940 HydrophobicContact CB-CG 4.4Å; I549-L940 HydrophobicContact CG2-CD1 4.26Å; I549-L940 HydrophobicContact CG2-CD2 3.52Å; I549-L940 HydrophobicContact CG2-CG 3.62Å; I549-I943 HydrophobicContact CD1-CD1 3.97Å
550	M	91.9	Very high	91.9	Very high	42 Å²	42	27.1 Å²	27.1	21%	0.207	14%	0.136	C	C	.	.	H	α-helix	trans	-64.4	-46.3	173.9	-75.5	-179.5	179.7	0	0	112.3	T546 R547 V548 Q552 T553 I554 F813 L885 L940	T546-M550 HydrophobicContact CG2-CE 3.85Å; T546-M550 HydrophobicContact CG2-SD 4.35Å; T546-M550 WeakPolarHBondContact O-CB 3.48Å; T546-M550 VanDerWaalsContact O-CG 3.31Å; T546-M550 WeakPolarHBondContact O-CG 3.33Å; T546-M550 PolarHBondContact O-N 2.7Å; R547-M550 PolarHBondContact O-N 3.5Å; V548-M550 PolarHBondContact O-N 2.9Å; M550-Q552 VanDerWaalsContact C-N 3.3Å; M550-Q552 PolarHBondContact O-N 3.3Å; M550-T553 PolarHBondContact O-N 3.33Å; M550-I554 WeakPolarHBondContact O-CG1 3.35Å; M550-I554 PolarHBondContact O-N 2.75Å; M550-F813 HydrophobicContact CE-CD1 3.71Å; M550-F813 HydrophobicContact CE-CE1 3.66Å; M550-F813 HydrophobicContact CE-CG 4.34Å; M550-F813 HydrophobicContact CE-CZ 4.26Å; M550-F813 HydrophobicContact SD-CD1 3.86Å; M550-F813 HydrophobicContact SD-CD2 4.46Å; M550-F813 HydrophobicContact SD-CE1 3.24Å; M550-F813 WeakPolarHBondContact SD-CE1 3.21Å; M550-F813 HydrophobicContact SD-CE2 3.94Å; M550-F813 HydrophobicContact SD-CG 4.41Å; M550-F813 HydrophobicContact SD-CZ 3.28Å; M550-F813 WeakPolarHBondContact SD-CZ 3.29Å; M550-L885 HydrophobicContact CB-CD2 4.19Å; M550-L940 HydrophobicContact CE-CD1 4.1Å; M550-L940 HydrophobicContact CG-CD1 3.49Å; M550-L940 VanDerWaalsContact CG-CD1 3.49Å; M550-L940 HydrophobicContact CG-CD2 4.13Å; M550-L940 HydrophobicContact CG-CG 4.49Å
551	G	94.3	Very high	92.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.1	-42.2	176.1	0	0	0	0	0	112	R547 V548 G555	R547-G551 PolarHBondContact O-N 3.16Å; V548-G551 PolarHBondContact O-N 3.18Å; G551-G555 PolarHBondContact O-N 3.04Å
552	Q	95.4	Very high	92.7	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-61.5	-46.2	174.4	-176.3	59.8	24.2	0	0	112.3	V548 I549 M550 G556 L570 L571 H933 I936	V548-Q552 VanDerWaalsContact O-CB 3.23Å; V548-Q552 WeakPolarHBondContact O-CB 3.42Å; V548-Q552 PolarHBondContact O-N 3.43Å; I549-Q552 PolarHBondContact O-N 3.45Å; M550-Q552 VanDerWaalsContact C-N 3.3Å; M550-Q552 PolarHBondContact O-N 3.3Å; Q552-G556 PolarHBondContact O-N 3.39Å; Q552-L570 PolarHBondContact NE2-O 2.99Å; Q552-L571 VanDerWaalsContact CD-CD1 3.41Å; Q552-L571 HydrophobicContact CG-CD1 4.26Å; Q552-L571 VanDerWaalsContact NE2-CD1 3.32Å; Q552-H933 PolarHBondContact NE2-NE2 3.42Å; Q552-H933 PolarHBondContact O-CD2 3.33Å; Q552-I936 HydrophobicContact CG-CG2 4.35Å
553	T	95.8	Very high	93.1	Very high	14 Å²	14	22 Å²	22	9%	0.086	12%	0.115	C	C	.	.	H	α-helix	trans	-62.8	-52.9	179.8	-59.9	0	0	0	0	110.8	I549 M550 G555 G556 L557 G937	I549-T553 WeakPolarHBondContact O-CB 3.32Å; I549-T553 PolarHBondContact O-N 2.97Å; I549-T553 PolarHBondContact O-OG1 2.84Å; M550-T553 PolarHBondContact O-N 3.33Å; T553-G555 PolarHBondContact O-N 3.36Å; T553-G556 PolarHBondContact O-N 3.15Å; T553-L557 HydrophobicContact CG2-CD1 3.79Å; T553-L557 HydrophobicContact CG2-CG 4.32Å; T553-L557 VanDerWaalsContact O-CB 3.31Å; T553-L557 WeakPolarHBondContact O-CB 3.48Å; T553-L557 WeakPolarHBondContact O-CG 3.45Å; T553-L557 PolarHBondContact O-N 3.04Å; T553-G937 VanDerWaalsContact OG1-CA 3.31Å; T553-G937 WeakPolarHBondContact OG1-CA 3.49Å; T553-G937 PolarHBondContact OG1-N 3.45Å
554	I	95.3	Very high	93.1	Very high	53 Å²	53	22.1 Å²	22.1	27%	0.272	12%	0.116	S	C	.	.	H	α-helix	trans	-61.3	-47.2	179.9	-67	167.5	0	0	0	110	M550 L557 C558 L880 L885	M550-I554 WeakPolarHBondContact O-CG1 3.35Å; M550-I554 PolarHBondContact O-N 2.75Å; I554-L557 PolarHBondContact O-N 3.48Å; I554-C558 VanDerWaalsContact O-CB 3.29Å; I554-C558 WeakPolarHBondContact O-CB 3.48Å; I554-C558 PolarHBondContact O-N 2.64Å; I554-C558 PolarHBondContact O-SG 2.76Å; I554-L880 HydrophobicContact CB-CD2 4.16Å; I554-L880 HydrophobicContact CG2-CD2 4.09Å; I554-L885 HydrophobicContact CD1-CD1 3.67Å
555	G	95.7	Very high	93.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.2	-48.5	-179.8	0	0	0	0	0	113.1	G551 T553 Y559	G551-G555 PolarHBondContact O-N 3.04Å; T553-G555 PolarHBondContact O-N 3.36Å; G555-Y559 VanDerWaalsContact O-CB 3.27Å; G555-Y559 WeakPolarHBondContact O-CB 3.28Å; G555-Y559 PolarHBondContact O-N 3.04Å
556	G	95.9	Very high	93.5	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-71.8	-33.7	179.4	0	0	0	0	0	114.4	Q552 T553 G560 H933	Q552-G556 PolarHBondContact O-N 3.39Å; T553-G556 PolarHBondContact O-N 3.15Å; G556-G560 WeakPolarHBondContact O-CA 3.36Å; G556-G560 PolarHBondContact O-N 2.75Å; G556-H933 VanDerWaalsContact CA-CD2 3.5Å; G556-H933 WeakPolarHBondContact CA-CD2 3.33Å
557	L	96.9	Very high	93.8	Very high	47 Å²	47	20.3 Å²	20.3	25%	0.246	11%	0.106	C	C	.	.	H	α-helix	trans	-67.4	-49.2	173.6	-71.3	178.1	0	0	0	111.4	T553 I554 Y559 G560 V561 F930 H933 V934	T553-L557 HydrophobicContact CG2-CD1 3.79Å; T553-L557 HydrophobicContact CG2-CG 4.32Å; T553-L557 VanDerWaalsContact O-CB 3.31Å; T553-L557 WeakPolarHBondContact O-CB 3.48Å; T553-L557 WeakPolarHBondContact O-CG 3.45Å; T553-L557 PolarHBondContact O-N 3.04Å; I554-L557 PolarHBondContact O-N 3.48Å; L557-Y559 VanDerWaalsContact C-N 3.35Å; L557-Y559 PolarHBondContact O-N 3.41Å; L557-G560 PolarHBondContact O-N 2.72Å; L557-V561 WeakPolarHBondContact O-CG2 3.39Å; L557-V561 PolarHBondContact O-N 2.78Å; L557-F930 HydrophobicContact CD2-CD2 4Å; L557-F930 HydrophobicContact CD2-CE2 3.89Å; L557-F930 HydrophobicContact CD2-CZ 4.31Å; L557-H933 HydrophobicContact CD2-CB 4.07Å; L557-H933 HydrophobicContact CG-CB 4.22Å; L557-V934 HydrophobicContact CD2-CG2 3.57Å
558	C	96.1	Very high	94	Very high	31 Å²	31	18.5 Å²	18.5	21%	0.209	10%	0.099	C	C	.	.	H	α-helix	trans	-60.3	-45.4	177.4	-71.6	0	0	0	0	111	I554 V561 F562 I876	I554-C558 VanDerWaalsContact O-CB 3.29Å; I554-C558 WeakPolarHBondContact O-CB 3.48Å; I554-C558 PolarHBondContact O-N 2.64Å; I554-C558 PolarHBondContact O-SG 2.76Å; C558-V561 PolarHBondContact O-N 2.73Å; C558-F562 VanDerWaalsContact O-CD2 3.28Å; C558-F562 WeakPolarHBondContact O-CD2 3.49Å; C558-F562 PolarHBondContact O-N 2.78Å; C558-I876 HydrophobicContact CB-CD1 3.86Å; C558-I876 HydrophobicContact CB-CG1 3.71Å
559	Y	96.5	Very high	94.2	Very high	3 Å²	3	18.4 Å²	18.4	1%	0.012	10%	0.099	C	C	.	.	H	α-helix	trans	-69	-35.3	177.4	-171.1	-91.6	0	0	0	112.5	G555 L557 V561 F562 G563 Q565 L568 L570 D869 V872 I873 I876 L929	G555-Y559 VanDerWaalsContact O-CB 3.27Å; G555-Y559 WeakPolarHBondContact O-CB 3.28Å; G555-Y559 PolarHBondContact O-N 3.04Å; L557-Y559 VanDerWaalsContact C-N 3.35Å; L557-Y559 PolarHBondContact O-N 3.41Å; Y559-V561 PolarHBondContact O-N 3.24Å; Y559-F562 PolarHBondContact O-N 2.9Å; Y559-G563 VanDerWaalsContact O-CA 3.26Å; Y559-G563 WeakPolarHBondContact O-CA 3.26Å; Y559-G563 PolarHBondContact O-N 3.05Å; Y559-Q565 PolarHBondContact OH-O 3.19Å; Y559-L568 HydrophobicContact CE1-CB 3.88Å; Y559-L568 HydrophobicContact CE1-CD2 4.36Å; Y559-L568 HydrophobicContact CE2-CD2 4.45Å; Y559-L568 WeakPolarHBondContact OH-CB 3.26Å; Y559-L568 WeakPolarHBondContact OH-CD2 3.48Å; Y559-L570 HydrophobicContact CD1-CD1 4.22Å; Y559-L570 HydrophobicContact CD1-CG 4.08Å; Y559-L570 HydrophobicContact CD2-CD1 3.75Å; Y559-L570 HydrophobicContact CD2-CD2 4.23Å; Y559-L570 HydrophobicContact CD2-CG 4.2Å; Y559-L570 HydrophobicContact CE2-CD2 4.42Å; Y559-L570 HydrophobicContact CG-CD1 3.47Å; Y559-L570 VanDerWaalsContact CG-CD1 3.47Å; Y559-L570 HydrophobicContact CG-CD2 4.31Å; Y559-L570 HydrophobicContact CG-CG 3.82Å; Y559-D869 HydrophobicContact CE2-CB 4.33Å; Y559-D869 PolarHBondContact OH-OD1 3.42Å; Y559-V872 HydrophobicContact CD2-CG1 3.98Å; Y559-I873 HydrophobicContact CD2-CG1 4.12Å; Y559-I873 HydrophobicContact CE2-CD1 4.29Å; Y559-I873 HydrophobicContact CE2-CG1 4.18Å; Y559-I876 HydrophobicContact CD2-CD1 4.3Å; Y559-L929 HydrophobicContact CD1-CD2 3.67Å; Y559-L929 HydrophobicContact CE1-CD2 4.2Å
560	G	93.6	Very high	94.3	Very high	3 Å²	3	18.4 Å²	18.4	3%	0.031	10%	0.099	C	C	.	.	H	α-helix	trans	-57.4	-33.9	171.2	0	0	0	0	0	112.3	Y496 G556 L557 R926	Y496-G560 PolarHBondContact OH-O 3.2Å; G556-G560 WeakPolarHBondContact O-CA 3.36Å; G556-G560 PolarHBondContact O-N 2.75Å; L557-G560 PolarHBondContact O-N 2.72Å; G560-R926 VanDerWaalsContact C-NH2 3.33Å; G560-R926 PolarHBondContact O-NE 3.17Å; G560-R926 PolarHBondContact O-NH2 3.22Å
561	V	93.5	Very high	94.5	Very high	54 Å²	54	16.6 Å²	16.6	33%	0.327	9%	0.089	S	C	.	.	H	α-helix	trans	-92.3	-27.1	-179.1	178.7	0	0	0	0	114.4	Y496 L557 C558 Y559 R926 F930	Y496-V561 PolarHBondContact OH-O 3.01Å; L557-V561 WeakPolarHBondContact O-CG2 3.39Å; L557-V561 PolarHBondContact O-N 2.78Å; C558-V561 PolarHBondContact O-N 2.73Å; Y559-V561 PolarHBondContact O-N 3.24Å; V561-R926 VanDerWaalsContact CA-NH2 3.33Å; V561-F930 HydrophobicContact CG2-CD2 3.85Å; V561-F930 HydrophobicContact CG2-CE2 3.58Å
562	F	94.3	Very high	94.4	Very high	118 Å²	118	16.6 Å²	16.6	52%	0.518	9%	0.09	S	C	.	.	H	α-helix	trans	-119.7	-16.8	-174.8	-60.9	-66	0	0	0	113.9	C558 Y559 W868 V872	C558-F562 VanDerWaalsContact O-CD2 3.28Å; C558-F562 WeakPolarHBondContact O-CD2 3.49Å; C558-F562 PolarHBondContact O-N 2.78Å; Y559-F562 PolarHBondContact O-N 2.9Å; F562-W868 WeakPolarHBondContact O-CZ2 3.39Å; F562-W868 PolarHBondContact O-NE1 2.85Å; F562-V872 HydrophobicContact CB-CG1 3.95Å; F562-V872 HydrophobicContact CB-CG2 4.27Å
563	G	93.1	Very high	94.2	Very high	5 Å²	5	17.3 Å²	17.3	5%	0.052	9%	0.094	C	C	.	.			trans	-62.3	144.9	177.9	0	0	0	0	0	112.5	Y559	Y559-G563 VanDerWaalsContact O-CA 3.26Å; Y559-G563 WeakPolarHBondContact O-CA 3.26Å; Y559-G563 PolarHBondContact O-N 3.05Å
564	G	89.9	Confident	93.8	Very high	2 Å²	2	18.4 Å²	18.4	2%	0.021	11%	0.105	C	C	.	.	S	Bend	trans	-89.2	-25.7	178	0	0	0	0	0	113.7	K492 S865 D869	K492-G564 VanDerWaalsContact CE-O 3.31Å; K492-G564 WeakPolarHBondContact CE-O 3.43Å; K492-G564 PolarHBondContact NZ-O 2.94Å; G564-S865 VanDerWaalsContact CA-OG 3.26Å; G564-S865 WeakPolarHBondContact CA-OG 3.47Å; G564-S865 PolarHBondContact O-OG 3.23Å; G564-D869 VanDerWaalsContact CA-OD1 3.28Å; G564-D869 WeakPolarHBondContact CA-OD1 3.42Å; G564-D869 PolarHBondContact N-OD1 3.17Å
565	Q	92.3	Very high	93.5	Very high	3 Å²	3	17.8 Å²	17.8	1%	0.014	10%	0.104	C	C	.	.			trans	-100.8	107.8	171.2	-84.5	168.6	72.3	0	0	110.9	Y559 L567 L568 S850 L853 N854 S865 N866 D869	Y559-Q565 PolarHBondContact OH-O 3.19Å; Q565-L567 VanDerWaalsContact C-N 3.29Å; Q565-L567 PolarHBondContact O-N 3.47Å; Q565-L568 HydrophobicContact CB-CB 4.29Å; Q565-L568 PolarHBondContact O-N 3.23Å; Q565-S850 PolarHBondContact NE2-OG 3.4Å; Q565-S850 PolarHBondContact OE1-OG 3.27Å; Q565-L853 HydrophobicContact CB-CD2 4.12Å; Q565-L853 HydrophobicContact CG-CD2 4.37Å; Q565-L853 VanDerWaalsContact OE1-CD2 3.31Å; Q565-N854 PolarHBondContact OE1-ND2 3.43Å; Q565-S865 WeakPolarHBondContact CG-OG 3.32Å; Q565-S865 PolarHBondContact N-OG 3.15Å; Q565-N866 PolarHBondContact NE2-OD1 2.87Å; Q565-D869 WeakPolarHBondContact CB-OD2 3.37Å; Q565-D869 WeakPolarHBondContact CG-OD2 3.36Å; Q565-D869 PolarHBondContact N-OD1 3.16Å; Q565-D869 VanDerWaalsContact N-OD1 3.16Å; Q565-D869 PolarHBondContact NE2-OD2 3.05Å
566	P	90.8	Very high	93.3	Very high	10 Å²	10	17.9 Å²	17.9	7%	0.065	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-22.4	-171.6	27.1	-35.4	0	0	0	114.2	R926	P566-R926 HydrophobicContact CB-CB 3.88Å
567	L	93.7	Very high	93.1	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-5.7	-175.1	-63.5	176.4	0	0	0	113.8	Q565 L853 L860 H898 V899 L902 V922 E924	Q565-L567 VanDerWaalsContact C-N 3.29Å; Q565-L567 PolarHBondContact O-N 3.47Å; L567-L853 HydrophobicContact CB-CD1 3.66Å; L567-L853 HydrophobicContact CB-CD2 4.06Å; L567-L853 HydrophobicContact CD1-CD1 4.06Å; L567-L860 HydrophobicContact CD1-CD1 4.45Å; L567-L860 HydrophobicContact CD1-CD2 3.82Å; L567-H898 PolarHBondContact O-ND1 3.34Å; L567-V899 HydrophobicContact CB-CG2 4.37Å; L567-V899 HydrophobicContact CD1-CG2 4.2Å; L567-L902 HydrophobicContact CD2-CD1 3.38Å; L567-V922 HydrophobicContact CD1-CG1 3.83Å; L567-E924 HydrophobicContact CD1-CG 4.26Å
568	L	94.6	Very high	92.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.101	C	C	.	.			trans	-77	129.1	-178.9	-159.9	79.2	0	0	0	110.5	Y559 Q565 A849 L853 A890 T895 L929	Y559-L568 HydrophobicContact CE1-CB 3.88Å; Y559-L568 HydrophobicContact CE1-CD2 4.36Å; Y559-L568 HydrophobicContact CE2-CD2 4.45Å; Y559-L568 WeakPolarHBondContact OH-CB 3.26Å; Y559-L568 WeakPolarHBondContact OH-CD2 3.48Å; Q565-L568 HydrophobicContact CB-CB 4.29Å; Q565-L568 PolarHBondContact O-N 3.23Å; L568-A849 HydrophobicContact CD1-CB 4.05Å; L568-L853 HydrophobicContact CB-CD2 4.17Å; L568-L853 HydrophobicContact CD1-CD2 4Å; L568-A890 HydrophobicContact CD1-CB 3.83Å; L568-A890 HydrophobicContact CD2-CB 3.56Å; L568-A890 HydrophobicContact CG-CB 3.59Å; L568-T895 HydrophobicContact CD1-CG2 3.77Å; L568-L929 WeakPolarHBondContact O-CD2 3.28Å
569	V	95.2	Very high	92.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.092	C	C	.	.			trans	-105	120.6	-177.7	-177.7	0	0	0	0	109.5	L520 A890 A891 H894 T895 H898 L929	L520-V569 HydrophobicContact CD1-CG1 4.06Å; L520-V569 HydrophobicContact CD1-CG2 3.8Å; L520-V569 HydrophobicContact CD2-CG2 4.47Å; V569-A890 WeakPolarHBondContact O-CA 3.4Å; V569-A891 PolarHBondContact O-N 3.36Å; V569-H894 HydrophobicContact CB-CB 4Å; V569-H894 HydrophobicContact CG1-CB 3.94Å; V569-H894 HydrophobicContact CG2-CB 4.46Å; V569-T895 PolarHBondContact N-OG1 3.08Å; V569-H898 HydrophobicContact CG2-CB 3.87Å; V569-L929 HydrophobicContact CB-CD1 4.46Å; V569-L929 HydrophobicContact CG1-CD1 4.39Å; V569-L929 HydrophobicContact CG2-CD1 4.24Å
570	L	96.1	Very high	92.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	139.7	173.3	-56.9	-173.3	0	0	0	110.4	Q552 Y559 I873 I876 V888 H889 A890	Q552-L570 PolarHBondContact NE2-O 2.99Å; Y559-L570 HydrophobicContact CD1-CD1 4.22Å; Y559-L570 HydrophobicContact CD1-CG 4.08Å; Y559-L570 HydrophobicContact CD2-CD1 3.75Å; Y559-L570 HydrophobicContact CD2-CD2 4.23Å; Y559-L570 HydrophobicContact CD2-CG 4.2Å; Y559-L570 HydrophobicContact CE2-CD2 4.42Å; Y559-L570 HydrophobicContact CG-CD1 3.47Å; Y559-L570 VanDerWaalsContact CG-CD1 3.47Å; Y559-L570 HydrophobicContact CG-CD2 4.31Å; Y559-L570 HydrophobicContact CG-CG 3.82Å; L570-I873 HydrophobicContact CD1-CG1 4.45Å; L570-I873 HydrophobicContact CD2-CD1 3.79Å; L570-I873 HydrophobicContact CD2-CG1 4.12Å; L570-I876 HydrophobicContact CD1-CD1 4.29Å; L570-V888 HydrophobicContact CB-CB 4.25Å; L570-V888 HydrophobicContact CB-CG2 4.19Å; L570-V888 HydrophobicContact CD1-CG2 4.01Å; L570-H889 CarbonylContact C-O 3.33Å; L570-H889 VanDerWaalsContact CA-O 3.26Å; L570-H889 WeakPolarHBondContact CA-O 3.48Å; L570-H889 VanDerWaalsContact CD2-C 3.47Å; L570-A890 HydrophobicContact CD2-CB 4.33Å
571	L	95.5	Very high	92.3	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.016	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	156.6	174.4	-158.3	62.3	0	0	0	110.5	C524 P527 S528 Q552 H889 A891 H894	C524-L571 HydrophobicContact CB-CD1 4.05Å; P527-L571 HydrophobicContact CB-CD2 4.08Å; P527-L571 HydrophobicContact CG-CD2 4.42Å; S528-L571 WeakPolarHBondContact OG-CD1 3.49Å; Q552-L571 VanDerWaalsContact CD-CD1 3.41Å; Q552-L571 HydrophobicContact CG-CD1 4.26Å; Q552-L571 VanDerWaalsContact NE2-CD1 3.32Å; L571-H889 PolarHBondContact N-O 2.72Å; L571-H889 PolarHBondContact O-N 3.46Å; L571-A891 HydrophobicContact CB-CB 3.64Å; L571-H894 VanDerWaalsContact CD2-NE2 3.31Å; L571-H894 WeakPolarHBondContact CD2-NE2 3.37Å
572	S	92.8	Very high	92.3	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.007	9%	0.093	C	C	.	.			trans	-74.8	138.1	161.4	-173.7	0	0	0	0	109.8	F531	F531-S572 WeakPolarHBondContact CD2-O 3.46Å; F531-S572 WeakPolarHBondContact CE2-O 3.44Å
573	T	90.9	Very high	92.2	Very high	15 Å²	15	11.7 Å²	11.7	9%	0.092	7%	0.068	C	C	.	.			trans	-118.7	164.1	-170.9	61	0	0	0	0	112.2	L576 A577 H889 A891	T573-L576 WeakPolarHBondContact O-CB 3.46Å; T573-L576 PolarHBondContact O-N 3.36Å; T573-A577 PolarHBondContact O-N 3.38Å; T573-A577 VanDerWaalsContact O-N 3.15Å; T573-H889 WeakPolarHBondContact CG2-CE1 3.3Å; T573-H889 PolarHBondContact OG1-CE1 3.16Å; T573-H889 PolarHBondContact OG1-NE2 3.28Å; T573-A891 HydrophobicContact CG2-CB 3.89Å
574	A	87.9	Confident	92.3	Very high	38 Å²	38	12.4 Å²	12.4	31%	0.314	7%	0.07	S	C	.	.	H	α-helix	trans	-56.8	-40.9	177.9	0	0	0	0	0	113.5	F531 L576 A577 L578	F531-A574 HydrophobicContact CE1-CB 3.76Å; F531-A574 HydrophobicContact CZ-CB 4.03Å; A574-L576 VanDerWaalsContact C-N 3.29Å; A574-L576 PolarHBondContact O-N 3.34Å; A574-A577 WeakPolarHBondContact O-CB 3.46Å; A574-A577 PolarHBondContact O-N 3.5Å; A574-L578 PolarHBondContact O-N 3.1Å; A574-L578 VanDerWaalsContact O-N 3.17Å
575	P	88.2	Confident	92.4	Very high	40 Å²	40	14.7 Å²	14.7	26%	0.26	8%	0.083	S	C	.	.	H	α-helix	trans	-56.6	-40.2	171.3	-28.7	37.6	0	0	0	113.3	A577 L578 Y579 L841	P575-A577 PolarHBondContact O-N 2.93Å; P575-L578 WeakPolarHBondContact O-CB 3.42Å; P575-L578 PolarHBondContact O-N 3.08Å; P575-L578 VanDerWaalsContact O-N 3.16Å; P575-Y579 WeakPolarHBondContact O-CD2 3.45Å; P575-Y579 PolarHBondContact O-N 3.12Å; P575-L841 HydrophobicContact CB-CD1 4.28Å; P575-L841 HydrophobicContact CB-CD2 3.73Å
576	L	91.7	Very high	92.4	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-63.6	-40.3	176.9	-76.6	177.9	0	0	0	112.7	T573 A574 L578 Y579 I580 L838 F842 W887	T573-L576 WeakPolarHBondContact O-CB 3.46Å; T573-L576 PolarHBondContact O-N 3.36Å; A574-L576 VanDerWaalsContact C-N 3.29Å; A574-L576 PolarHBondContact O-N 3.34Å; L576-L578 PolarHBondContact O-N 3.15Å; L576-Y579 PolarHBondContact O-N 3.13Å; L576-Y579 VanDerWaalsContact O-N 3.17Å; L576-I580 WeakPolarHBondContact O-CG1 3.33Å; L576-I580 PolarHBondContact O-N 2.87Å; L576-L838 HydrophobicContact CD2-CD1 3.98Å; L576-F842 HydrophobicContact CD1-CZ 4.34Å; L576-F842 HydrophobicContact CD2-CE2 3.51Å; L576-F842 HydrophobicContact CD2-CZ 3.83Å; L576-F842 HydrophobicContact CG-CE2 4.43Å; L576-W887 HydrophobicContact CD1-CB 4.42Å; L576-W887 WeakPolarHBondContact CD1-O 3.29Å; L576-W887 HydrophobicContact CD2-CE3 3.86Å
577	A	90.8	Very high	92.5	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.008	9%	0.089	C	C	.	.	H	α-helix	trans	-60.5	-35.3	174.4	0	0	0	0	0	112.2	L534 N535 T573 A574 P575 I580 K581	L534-A577 HydrophobicContact CD2-CB 4.03Å; N535-A577 WeakPolarHBondContact OD1-CA 3.42Å; N535-A577 VanDerWaalsContact OD1-CB 3.29Å; N535-A577 WeakPolarHBondContact OD1-CB 3.47Å; T573-A577 PolarHBondContact O-N 3.38Å; T573-A577 VanDerWaalsContact O-N 3.15Å; A574-A577 WeakPolarHBondContact O-CB 3.46Å; A574-A577 PolarHBondContact O-N 3.5Å; P575-A577 PolarHBondContact O-N 2.93Å; A577-I580 PolarHBondContact O-N 3.27Å; A577-K581 PolarHBondContact O-N 3.42Å
578	L	88.9	Confident	92.4	Very high	31 Å²	31	21.2 Å²	21.2	16%	0.162	11%	0.114	C	C	.	.	H	α-helix	trans	-67.4	-43.2	173.6	-175.8	117.8	0	0	0	112.3	A574 P575 L576 I580 K581 I582 K1026	A574-L578 PolarHBondContact O-N 3.1Å; A574-L578 VanDerWaalsContact O-N 3.17Å; P575-L578 WeakPolarHBondContact O-CB 3.42Å; P575-L578 PolarHBondContact O-N 3.08Å; P575-L578 VanDerWaalsContact O-N 3.16Å; L576-L578 PolarHBondContact O-N 3.15Å; L578-I580 VanDerWaalsContact C-N 3.33Å; L578-I580 PolarHBondContact O-N 2.95Å; L578-K581 WeakPolarHBondContact O-CB 3.41Å; L578-K581 PolarHBondContact O-N 3.39Å; L578-I582 HydrophobicContact CD2-CD1 3.59Å; L578-I582 HydrophobicContact CG-CD1 3.97Å; L578-I582 WeakPolarHBondContact O-CG1 3.44Å; L578-I582 PolarHBondContact O-N 3Å; L578-K1026 HydrophobicContact CD1-CB 3.85Å; L578-K1026 HydrophobicContact CD1-CD 3.49Å; L578-K1026 VanDerWaalsContact CD1-CD 3.49Å; L578-K1026 HydrophobicContact CD1-CG 4.26Å; L578-K1026 HydrophobicContact CD2-CB 3.75Å; L578-K1026 HydrophobicContact CG-CB 4.48Å
579	Y	92.4	Very high	92.3	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.016	14%	0.14	C	C	.	.	H	α-helix	trans	-59.5	-44.6	173.8	-89	-92.5	0	0	0	111.2	P575 L576 K581 I582 I583 I834 P837 L838 L841 L1027	P575-Y579 WeakPolarHBondContact O-CD2 3.45Å; P575-Y579 PolarHBondContact O-N 3.12Å; L576-Y579 PolarHBondContact O-N 3.13Å; L576-Y579 VanDerWaalsContact O-N 3.17Å; Y579-K581 VanDerWaalsContact C-N 3.33Å; Y579-K581 PolarHBondContact O-N 3.37Å; Y579-I582 PolarHBondContact O-N 3.21Å; Y579-I583 WeakPolarHBondContact O-CB 3.25Å; Y579-I583 WeakPolarHBondContact O-CD1 3.49Å; Y579-I583 WeakPolarHBondContact O-CG1 3.44Å; Y579-I583 PolarHBondContact O-N 2.94Å; Y579-I834 HydrophobicContact CD1-CG2 4.02Å; Y579-I834 HydrophobicContact CE1-CG2 3.99Å; Y579-P837 VanDerWaalsContact OH-C 3.29Å; Y579-P837 WeakPolarHBondContact OH-CB 3.25Å; Y579-L838 HydrophobicContact CD1-CB 4.2Å; Y579-L838 HydrophobicContact CD1-CD1 3.84Å; Y579-L838 HydrophobicContact CD1-CD2 4.36Å; Y579-L838 HydrophobicContact CD1-CG 4.36Å; Y579-L838 HydrophobicContact CD2-CD1 3.88Å; Y579-L838 HydrophobicContact CE1-CB 3.63Å; Y579-L838 HydrophobicContact CE1-CD1 3.89Å; Y579-L838 HydrophobicContact CE1-CG 4.24Å; Y579-L838 HydrophobicContact CE2-CD1 3.97Å; Y579-L838 HydrophobicContact CG-CD1 3.83Å; Y579-L838 PolarHBondContact OH-N 3.41Å; Y579-L841 HydrophobicContact CD2-CD2 4.36Å; Y579-L841 HydrophobicContact CE2-CD2 3.98Å; Y579-L1027 HydrophobicContact CD1-CD1 3.71Å; Y579-L1027 HydrophobicContact CD2-CD1 4.33Å; Y579-L1027 HydrophobicContact CE1-CD1 3.22Å; Y579-L1027 HydrophobicContact CE1-CG 4.32Å; Y579-L1027 HydrophobicContact CE2-CD1 3.89Å; Y579-L1027 HydrophobicContact CG-CD1 4.24Å
580	I	94	Very high	92.1	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-56.4	-47.7	176.3	-70.5	165.5	0	0	0	110.8	T539 L576 A577 L578 I582 I583 Y584 F594 Y598	T539-I580 HydrophobicContact CG2-CG2 3.45Å; T539-I580 VanDerWaalsContact CG2-CG2 3.45Å; L576-I580 WeakPolarHBondContact O-CG1 3.33Å; L576-I580 PolarHBondContact O-N 2.87Å; A577-I580 PolarHBondContact O-N 3.27Å; L578-I580 VanDerWaalsContact C-N 3.33Å; L578-I580 PolarHBondContact O-N 2.95Å; I580-I582 PolarHBondContact O-N 3.43Å; I580-I583 PolarHBondContact O-N 2.93Å; I580-Y584 WeakPolarHBondContact O-CB 3.45Å; I580-Y584 PolarHBondContact O-N 3.14Å; I580-F594 HydrophobicContact CG2-CZ 4.31Å; I580-Y598 HydrophobicContact CG1-CE2 3.87Å
581	K	92.5	Very high	91.9	Very high	83 Å²	83	43.8 Å²	43.8	36%	0.361	21%	0.212	S	C	.	.	H	α-helix	trans	-58.2	-48.4	176.3	-176.8	178.9	-175.1	161	0	112.3	N538 A577 L578 Y579 Y584 T585	N538-K581 HydrophobicContact CB-CB 3.98Å; N538-K581 HydrophobicContact CB-CD 4.42Å; N538-K581 HydrophobicContact CB-CG 4.07Å; A577-K581 PolarHBondContact O-N 3.42Å; L578-K581 WeakPolarHBondContact O-CB 3.41Å; L578-K581 PolarHBondContact O-N 3.39Å; Y579-K581 VanDerWaalsContact C-N 3.33Å; Y579-K581 PolarHBondContact O-N 3.37Å; K581-Y584 WeakPolarHBondContact O-CB 3.46Å; K581-Y584 PolarHBondContact O-N 3.24Å; K581-T585 PolarHBondContact O-N 3.25Å; K581-T585 PolarHBondContact O-OG1 3.05Å; K581-T585 VanDerWaalsContact O-OG1 3.09Å
582	I	91.8	Very high	91.8	Very high	6 Å²	6	45.3 Å²	45.3	3%	0.031	22%	0.22	C	C	.	.	H	α-helix	trans	-64.2	-43.7	-178.6	-68.9	167.7	0	0	0	110.8	L578 Y579 I580 Y584 T585 I586 P1023 L1027	L578-I582 HydrophobicContact CD2-CD1 3.59Å; L578-I582 HydrophobicContact CG-CD1 3.97Å; L578-I582 WeakPolarHBondContact O-CG1 3.44Å; L578-I582 PolarHBondContact O-N 3Å; Y579-I582 PolarHBondContact O-N 3.21Å; I580-I582 PolarHBondContact O-N 3.43Å; I582-Y584 VanDerWaalsContact C-N 3.27Å; I582-Y584 PolarHBondContact O-N 3.42Å; I582-T585 PolarHBondContact O-N 3.43Å; I582-I586 HydrophobicContact CG2-CD1 3.69Å; I582-I586 HydrophobicContact CG2-CG1 4.35Å; I582-I586 WeakPolarHBondContact O-CB 3.27Å; I582-I586 VanDerWaalsContact O-CG1 3.28Å; I582-I586 WeakPolarHBondContact O-CG1 3.48Å; I582-I586 PolarHBondContact O-N 2.85Å; I582-P1023 HydrophobicContact CD1-CB 4.29Å; I582-P1023 HydrophobicContact CG1-CB 4.26Å; I582-L1027 HydrophobicContact CD1-CB 4.37Å; I582-L1027 HydrophobicContact CD1-CD1 3.88Å
583	I	93.6	Very high	91.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.6	-40.8	177.2	-66.4	166.7	0	0	0	110.2	Y579 I580 S587 F594 M597 Y598 I601 W887	Y579-I583 WeakPolarHBondContact O-CB 3.25Å; Y579-I583 WeakPolarHBondContact O-CD1 3.49Å; Y579-I583 WeakPolarHBondContact O-CG1 3.44Å; Y579-I583 PolarHBondContact O-N 2.94Å; I580-I583 PolarHBondContact O-N 2.93Å; I583-S587 VanDerWaalsContact O-CB 3.29Å; I583-S587 WeakPolarHBondContact O-CB 3.43Å; I583-S587 PolarHBondContact O-N 2.95Å; I583-S587 PolarHBondContact O-OG 2.87Å; I583-F594 HydrophobicContact CB-CE2 4.37Å; I583-F594 HydrophobicContact CG2-CD2 4.07Å; I583-F594 HydrophobicContact CG2-CE2 3.92Å; I583-M597 HydrophobicContact CG2-CB 4.45Å; I583-M597 HydrophobicContact CG2-CG 3.98Å; I583-Y598 HydrophobicContact CD1-CD2 4.19Å; I583-I601 HydrophobicContact CB-CD1 4.49Å; I583-I601 HydrophobicContact CD1-CD1 3.78Å; I583-I601 HydrophobicContact CD1-CG2 4.24Å; I583-I601 HydrophobicContact CG1-CD1 3.62Å; I583-I601 HydrophobicContact CG2-CD1 4.11Å; I583-W887 HydrophobicContact CD1-CH2 3.74Å; I583-W887 HydrophobicContact CD1-CZ3 4.17Å
584	Y	94.3	Very high	91.8	Very high	20 Å²	20	47.7 Å²	47.7	8%	0.078	23%	0.232	C	C	.	.	H	α-helix	trans	-62.4	-51.9	175	-175.8	-99.9	0	0	0	112	N538 T539 D540 K542 I580 K581 I582 I586 S587 E588 F594	N538-Y584 WeakPolarHBondContact O-CD1 3.45Å; T539-Y584 HydrophobicContact CG2-CD2 4.22Å; T539-Y584 HydrophobicContact CG2-CG 4.13Å; T539-Y584 WeakPolarHBondContact O-CE2 3.45Å; D540-Y584 WeakPolarHBondContact CB-OH 3.22Å; D540-Y584 WeakPolarHBondContact OD2-CE1 3.35Å; D540-Y584 PolarHBondContact OD2-OH 3.1Å; K542-Y584 HydrophobicContact CD-CD2 4.46Å; K542-Y584 HydrophobicContact CD-CE2 3.84Å; K542-Y584 HydrophobicContact CG-CE2 4.48Å; I580-Y584 WeakPolarHBondContact O-CB 3.45Å; I580-Y584 PolarHBondContact O-N 3.14Å; K581-Y584 WeakPolarHBondContact O-CB 3.46Å; K581-Y584 PolarHBondContact O-N 3.24Å; I582-Y584 VanDerWaalsContact C-N 3.27Å; I582-Y584 PolarHBondContact O-N 3.42Å; Y584-I586 VanDerWaalsContact C-N 3.3Å; Y584-I586 PolarHBondContact O-N 3.09Å; Y584-S587 WeakPolarHBondContact O-CB 3.27Å; Y584-S587 PolarHBondContact O-N 3.19Å; Y584-E588 PolarHBondContact O-N 2.98Å; Y584-F594 HydrophobicContact CD2-CB 4.43Å; Y584-F594 HydrophobicContact CD2-CD1 4.46Å; Y584-F594 AromaticContact CD2-CD2 3.84Å; Y584-F594 HydrophobicContact CD2-CD2 3.84Å; Y584-F594 HydrophobicContact CD2-CE2 4.19Å; Y584-F594 AromaticContact CD2-CG 3.98Å; Y584-F594 HydrophobicContact CD2-CG 3.98Å; Y584-F594 HydrophobicContact CG-CD2 4.42Å
585	T	92.6	Very high	92.1	Very high	51 Å²	51	48.8 Å²	48.8	31%	0.313	23%	0.228	S	C	.	.	H	α-helix	trans	-57.5	-41.7	178.2	-56.5	0	0	0	0	112.3	K581 I582 T589	K581-T585 PolarHBondContact O-N 3.25Å; K581-T585 PolarHBondContact O-OG1 3.05Å; K581-T585 VanDerWaalsContact O-OG1 3.09Å; I582-T585 PolarHBondContact O-N 3.43Å; T585-T589 WeakPolarHBondContact O-CB 3.14Å; T585-T589 PolarHBondContact O-N 3.41Å; T585-T589 PolarHBondContact O-OG1 3.12Å
586	I	91.8	Very high	92.4	Very high	33 Å²	33	46.9 Å²	46.9	17%	0.169	22%	0.216	C	C	.	.	H	α-helix	trans	-66.2	-43.6	176.2	-68.4	171.3	0	0	0	110.6	I582 Y584 E588 T589 Y590 M597 I834	I582-I586 HydrophobicContact CG2-CD1 3.69Å; I582-I586 HydrophobicContact CG2-CG1 4.35Å; I582-I586 WeakPolarHBondContact O-CB 3.27Å; I582-I586 VanDerWaalsContact O-CG1 3.28Å; I582-I586 WeakPolarHBondContact O-CG1 3.48Å; I582-I586 PolarHBondContact O-N 2.85Å; Y584-I586 VanDerWaalsContact C-N 3.3Å; Y584-I586 PolarHBondContact O-N 3.09Å; I586-E588 VanDerWaalsContact C-N 3.3Å; I586-E588 PolarHBondContact O-N 2.7Å; I586-T589 PolarHBondContact O-N 2.94Å; I586-Y590 HydrophobicContact CG2-CD2 3.82Å; I586-Y590 HydrophobicContact CG2-CE2 4.17Å; I586-Y590 WeakPolarHBondContact O-CD2 3.32Å; I586-Y590 PolarHBondContact O-N 3.31Å; I586-M597 HydrophobicContact CG2-CE 4.45Å; I586-I834 HydrophobicContact CD1-CD1 3.52Å
587	S	92.6	Very high	92.5	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-62	-40.4	179.4	-59.1	0	0	0	0	111.6	I583 Y584 Y591 I592	I583-S587 VanDerWaalsContact O-CB 3.29Å; I583-S587 WeakPolarHBondContact O-CB 3.43Å; I583-S587 PolarHBondContact O-N 2.95Å; I583-S587 PolarHBondContact O-OG 2.87Å; Y584-S587 WeakPolarHBondContact O-CB 3.27Å; Y584-S587 PolarHBondContact O-N 3.19Å; S587-Y591 CarbonylContact O-C 3.48Å; S587-Y591 WeakPolarHBondContact O-CA 3.3Å; S587-Y591 PolarHBondContact O-N 2.74Å; S587-I592 WeakPolarHBondContact CB-O 3.45Å; S587-I592 PolarHBondContact O-N 3.37Å
588	E	92.8	Very high	92.7	Very high	114 Å²	114	47.1 Å²	47.1	53%	0.533	22%	0.217	S	C	.	.	H	α-helix	trans	-68.9	-45	176	-169	177.1	-170.7	0	0	111.9	Y584 I586 Y590 Y591	Y584-E588 PolarHBondContact O-N 2.98Å; I586-E588 VanDerWaalsContact C-N 3.3Å; I586-E588 PolarHBondContact O-N 2.7Å; E588-Y590 VanDerWaalsContact C-N 3.3Å; E588-Y590 PolarHBondContact O-N 3.14Å; E588-Y591 PolarHBondContact O-N 2.87Å
589	T	92.9	Very high	93	Very high	90 Å²	90	45.6 Å²	45.6	55%	0.552	21%	0.209	S	C	*	.	H	α-helix	trans	-60.9	-37.5	-179.7	-56.8	0	0	0	0	112.6	T585 I586	T585-T589 WeakPolarHBondContact O-CB 3.14Å; T585-T589 PolarHBondContact O-N 3.41Å; T585-T589 PolarHBondContact O-OG1 3.12Å; I586-T589 PolarHBondContact O-N 2.94Å
590	Y	91.2	Very high	93.2	Very high	165 Å²	165	46 Å²	46	65%	0.647	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.9	8.3	-178.5	-67.6	-76.1	0	0	0	113.9	I586 E588 I592	I586-Y590 HydrophobicContact CG2-CD2 3.82Å; I586-Y590 HydrophobicContact CG2-CE2 4.17Å; I586-Y590 WeakPolarHBondContact O-CD2 3.32Å; I586-Y590 PolarHBondContact O-N 3.31Å; E588-Y590 VanDerWaalsContact C-N 3.3Å; E588-Y590 PolarHBondContact O-N 3.14Å; Y590-I592 PolarHBondContact O-N 3.2Å
591	Y	91.9	Very high	93.4	Very high	219 Å²	219	46 Å²	46	86%	0.859	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	36.3	-176.8	-54.5	-76.7	0	0	0	114.5	S587 E588	S587-Y591 CarbonylContact O-C 3.48Å; S587-Y591 WeakPolarHBondContact O-CA 3.3Å; S587-Y591 PolarHBondContact O-N 2.74Å; E588-Y591 PolarHBondContact O-N 2.87Å
592	I	91.9	Very high	93.6	Very high	35 Å²	35	42 Å²	42	18%	0.179	20%	0.195	C	C	.	.			trans	-95.1	146.1	179.1	-55.7	167.9	0	0	0	109.1	S587 Y590 F594 M597 L823 A827	S587-I592 WeakPolarHBondContact CB-O 3.45Å; S587-I592 PolarHBondContact O-N 3.37Å; Y590-I592 PolarHBondContact O-N 3.2Å; I592-F594 PolarHBondContact O-N 2.91Å; I592-F594 VanDerWaalsContact O-N 3.1Å; I592-M597 HydrophobicContact CB-CE 4.37Å; I592-M597 HydrophobicContact CD1-CE 3.41Å; I592-M597 VanDerWaalsContact CD1-CE 3.41Å; I592-M597 HydrophobicContact CG1-CE 4.46Å; I592-M597 HydrophobicContact CG2-CB 4.3Å; I592-M597 HydrophobicContact CG2-CE 4.07Å; I592-L823 HydrophobicContact CG2-CD1 4.35Å; I592-A827 HydrophobicContact CD1-CB 3.82Å
593	N	92.2	Very high	93.8	Very high	62 Å²	62	44.1 Å²	44.1	33%	0.332	21%	0.206	S	C	.	.			trans	-62.5	115.9	173.4	-175.1	-72.4	0	0	0	110.7	Y595 A596 M597 L822	N593-Y595 PolarHBondContact O-N 3.46Å; N593-Y595 WeakPolarHBondContact OD1-CB 3.05Å; N593-Y595 PolarHBondContact OD1-N 3.48Å; N593-Y595 VanDerWaalsContact OD1-N 3.08Å; N593-A596 HydrophobicContact CB-CB 3.97Å; N593-A596 PolarHBondContact O-N 3.28Å; N593-A596 PolarHBondContact OD1-N 3.01Å; N593-M597 PolarHBondContact O-N 3.36Å; N593-L822 HydrophobicContact CB-CD1 4.26Å
594	F	92.7	Very high	94	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.018	22%	0.216	C	C	.	.	H	α-helix	trans	-53.4	-48.3	-178.8	167.9	-109.5	0	0	0	113.4	T539 K542 I580 I583 Y584 I592 A596 M597 Y598	T539-F594 HydrophobicContact CG2-CZ 4.09Å; K542-F594 HydrophobicContact CB-CD1 4.13Å; K542-F594 HydrophobicContact CB-CE1 4.16Å; K542-F594 HydrophobicContact CD-CB 4.33Å; K542-F594 HydrophobicContact CD-CD1 3.93Å; K542-F594 HydrophobicContact CD-CG 4.41Å; I580-F594 HydrophobicContact CG2-CZ 4.31Å; I583-F594 HydrophobicContact CB-CE2 4.37Å; I583-F594 HydrophobicContact CG2-CD2 4.07Å; I583-F594 HydrophobicContact CG2-CE2 3.92Å; Y584-F594 HydrophobicContact CD2-CB 4.43Å; Y584-F594 HydrophobicContact CD2-CD1 4.46Å; Y584-F594 AromaticContact CD2-CD2 3.84Å; Y584-F594 HydrophobicContact CD2-CD2 3.84Å; Y584-F594 HydrophobicContact CD2-CE2 4.19Å; Y584-F594 AromaticContact CD2-CG 3.98Å; Y584-F594 HydrophobicContact CD2-CG 3.98Å; Y584-F594 HydrophobicContact CG-CD2 4.42Å; I592-F594 PolarHBondContact O-N 2.91Å; I592-F594 VanDerWaalsContact O-N 3.1Å; F594-A596 VanDerWaalsContact C-N 3.33Å; F594-A596 PolarHBondContact O-N 3.44Å; F594-M597 PolarHBondContact O-N 2.84Å; F594-Y598 HydrophobicContact CZ-CD2 4.42Å; F594-Y598 WeakPolarHBondContact O-CB 3.22Å; F594-Y598 PolarHBondContact O-N 3.19Å
595	Y	93.4	Very high	94.2	Very high	61 Å²	61	45.4 Å²	45.4	24%	0.239	21%	0.212	C	C	.	.	H	α-helix	trans	-64.3	-39.9	-178.1	-68.2	-59.4	0	0	0	112	K542 N593 A599 C884	K542-Y595 PolarHBondContact O-OH 3.31Å; N593-Y595 PolarHBondContact O-N 3.46Å; N593-Y595 WeakPolarHBondContact OD1-CB 3.05Å; N593-Y595 PolarHBondContact OD1-N 3.48Å; N593-Y595 VanDerWaalsContact OD1-N 3.08Å; Y595-A599 VanDerWaalsContact O-CB 3.31Å; Y595-A599 WeakPolarHBondContact O-CB 3.43Å; Y595-A599 PolarHBondContact O-N 3.46Å; Y595-C884 HydrophobicContact CD1-CB 3.7Å; Y595-C884 HydrophobicContact CE1-CB 4.36Å; Y595-C884 HydrophobicContact CG-CB 4.47Å; Y595-C884 PolarHBondContact O-SG 2.95Å
596	A	94.2	Very high	94.4	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-67.6	-41.9	178	0	0	0	0	0	111.6	N593 F594 C600 P819 L823	N593-A596 HydrophobicContact CB-CB 3.97Å; N593-A596 PolarHBondContact O-N 3.28Å; N593-A596 PolarHBondContact OD1-N 3.01Å; F594-A596 VanDerWaalsContact C-N 3.33Å; F594-A596 PolarHBondContact O-N 3.44Å; A596-C600 WeakPolarHBondContact O-CB 3.32Å; A596-C600 PolarHBondContact O-N 3.19Å; A596-P819 HydrophobicContact CB-CG 4.22Å; A596-P819 VanDerWaalsContact CB-O 3.26Å; A596-P819 WeakPolarHBondContact CB-O 3.2Å; A596-L823 HydrophobicContact CB-CD1 3.15Å
597	M	94.4	Very high	94.7	Very high	7 Å²	7	45.4 Å²	45.4	3%	0.034	21%	0.21	C	C	.	.	H	α-helix	trans	-63.7	-48.4	174.7	-177.2	67.4	92.2	0	0	111.2	I583 I586 I592 N593 F594 A599 C600 I601 A827 S831	I583-M597 HydrophobicContact CG2-CB 4.45Å; I583-M597 HydrophobicContact CG2-CG 3.98Å; I586-M597 HydrophobicContact CG2-CE 4.45Å; I592-M597 HydrophobicContact CB-CE 4.37Å; I592-M597 HydrophobicContact CD1-CE 3.41Å; I592-M597 VanDerWaalsContact CD1-CE 3.41Å; I592-M597 HydrophobicContact CG1-CE 4.46Å; I592-M597 HydrophobicContact CG2-CB 4.3Å; I592-M597 HydrophobicContact CG2-CE 4.07Å; N593-M597 PolarHBondContact O-N 3.36Å; F594-M597 PolarHBondContact O-N 2.84Å; M597-A599 PolarHBondContact O-N 2.81Å; M597-C600 PolarHBondContact O-N 3.48Å; M597-I601 HydrophobicContact CG-CD1 3.91Å; M597-I601 WeakPolarHBondContact O-CG1 3.36Å; M597-I601 PolarHBondContact O-N 3.16Å; M597-I601 HydrophobicContact SD-CD1 4.17Å; M597-A827 HydrophobicContact CE-CB 4Å; M597-S831 PolarHBondContact SD-OG 3.4Å
598	Y	95.4	Very high	94.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-56.2	-51.1	177.3	179.2	-93.3	0	0	0	111.3	M543 I580 I583 F594 C600 I601 G602 C884 L885 P886 W887	M543-Y598 HydrophobicContact CE-CE1 4.44Å; I580-Y598 HydrophobicContact CG1-CE2 3.87Å; I583-Y598 HydrophobicContact CD1-CD2 4.19Å; F594-Y598 HydrophobicContact CZ-CD2 4.42Å; F594-Y598 WeakPolarHBondContact O-CB 3.22Å; F594-Y598 PolarHBondContact O-N 3.19Å; Y598-C600 VanDerWaalsContact C-N 3.34Å; Y598-C600 PolarHBondContact O-N 3.38Å; Y598-I601 PolarHBondContact O-N 2.9Å; Y598-G602 PolarHBondContact O-N 3.43Å; Y598-C884 HydrophobicContact CD1-CB 4.46Å; Y598-L885 WeakPolarHBondContact CE1-O 3.38Å; Y598-L885 PolarHBondContact OH-O 3.08Å; Y598-P886 VanDerWaalsContact OH-CA 3.24Å; Y598-P886 WeakPolarHBondContact OH-CA 3.24Å; Y598-W887 HydrophobicContact CD1-CZ2 4.16Å; Y598-W887 AromaticContact CD2-CH2 3.72Å; Y598-W887 HydrophobicContact CD2-CH2 3.72Å; Y598-W887 AromaticContact CD2-CZ2 3.8Å; Y598-W887 HydrophobicContact CD2-CZ2 3.8Å; Y598-W887 HydrophobicContact CD2-CZ3 4.43Å; Y598-W887 AromaticContact CE1-CE2 3.84Å; Y598-W887 AromaticContact CE1-CZ2 3.86Å; Y598-W887 HydrophobicContact CE1-CZ2 3.86Å; Y598-W887 AromaticContact CE1-NE1 3.88Å; Y598-W887 HydrophobicContact CE2-CD2 4.17Å; Y598-W887 AromaticContact CE2-CE2 3.82Å; Y598-W887 HydrophobicContact CE2-CE3 4.12Å; Y598-W887 AromaticContact CE2-CH2 3.42Å; Y598-W887 HydrophobicContact CE2-CH2 3.42Å; Y598-W887 VanDerWaalsContact CE2-CH2 3.42Å; Y598-W887 AromaticContact CE2-CZ2 3.45Å; Y598-W887 HydrophobicContact CE2-CZ2 3.45Å; Y598-W887 VanDerWaalsContact CE2-CZ2 3.45Å; Y598-W887 AromaticContact CE2-CZ3 3.77Å; Y598-W887 HydrophobicContact CE2-CZ3 3.77Å; Y598-W887 HydrophobicContact CG-CH2 4.44Å; Y598-W887 HydrophobicContact CG-CZ2 4.14Å; Y598-W887 AromaticContact CZ-CD2 3.83Å; Y598-W887 AromaticContact CZ-CE2 3.41Å; Y598-W887 VanDerWaalsContact CZ-CE2 3.41Å; Y598-W887 AromaticContact CZ-CH2 3.94Å; Y598-W887 AromaticContact CZ-CZ2 3.48Å; Y598-W887 VanDerWaalsContact CZ-CZ2 3.48Å; Y598-W887 AromaticContact CZ-NE1 3.81Å; Y598-W887 WeakPolarHBondContact O-CZ2 3.46Å; Y598-W887 PolarHBondContact OH-N 2.88Å
599	A	95.5	Very high	95.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.2	-40.8	178.2	0	0	0	0	0	112.6	Y595 M597 G602 L603 A818 L820 S881	Y595-A599 VanDerWaalsContact O-CB 3.31Å; Y595-A599 WeakPolarHBondContact O-CB 3.43Å; Y595-A599 PolarHBondContact O-N 3.46Å; M597-A599 PolarHBondContact O-N 2.81Å; A599-G602 PolarHBondContact O-N 2.86Å; A599-L603 WeakPolarHBondContact O-CB 3.35Å; A599-L603 VanDerWaalsContact O-CG 3.25Å; A599-L603 WeakPolarHBondContact O-CG 3.45Å; A599-L603 PolarHBondContact O-N 3.43Å; A599-A818 HydrophobicContact CB-CB 3.3Å; A599-L820 HydrophobicContact CB-CD2 3.88Å; A599-S881 VanDerWaalsContact CB-O 3.22Å; A599-S881 WeakPolarHBondContact CB-O 3.31Å
600	C	96.6	Very high	95.2	Very high	13 Å²	13	39.6 Å²	39.6	9%	0.088	18%	0.177	C	C	.	.	H	α-helix	trans	-62.9	-47.2	178.5	-169	0	0	0	0	112.1	A596 M597 Y598 G602 L603 F604 L820 L823	A596-C600 WeakPolarHBondContact O-CB 3.32Å; A596-C600 PolarHBondContact O-N 3.19Å; M597-C600 PolarHBondContact O-N 3.48Å; Y598-C600 VanDerWaalsContact C-N 3.34Å; Y598-C600 PolarHBondContact O-N 3.38Å; C600-G602 VanDerWaalsContact C-N 3.33Å; C600-G602 PolarHBondContact O-N 2.87Å; C600-L603 PolarHBondContact O-N 2.97Å; C600-F604 VanDerWaalsContact O-CD2 3.29Å; C600-F604 WeakPolarHBondContact O-CD2 3.22Å; C600-F604 PolarHBondContact O-N 3.07Å; C600-F604 VanDerWaalsContact SG-CE2 3.53Å; C600-L820 HydrophobicContact CB-CD2 4.15Å; C600-L823 HydrophobicContact CB-CD2 3.49Å; C600-L823 VanDerWaalsContact CB-CD2 3.49Å
601	I	96.8	Very high	95.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.3	-44.3	175.9	-66.9	168.6	0	0	0	110.7	I583 M597 Y598 L603 F604 N605 I834 A835 L838 W887	I583-I601 HydrophobicContact CB-CD1 4.49Å; I583-I601 HydrophobicContact CD1-CD1 3.78Å; I583-I601 HydrophobicContact CD1-CG2 4.24Å; I583-I601 HydrophobicContact CG1-CD1 3.62Å; I583-I601 HydrophobicContact CG2-CD1 4.11Å; M597-I601 HydrophobicContact CG-CD1 3.91Å; M597-I601 WeakPolarHBondContact O-CG1 3.36Å; M597-I601 PolarHBondContact O-N 3.16Å; M597-I601 HydrophobicContact SD-CD1 4.17Å; Y598-I601 PolarHBondContact O-N 2.9Å; I601-L603 PolarHBondContact O-N 3.36Å; I601-F604 PolarHBondContact O-N 3.41Å; I601-N605 VanDerWaalsContact O-CB 3.31Å; I601-N605 WeakPolarHBondContact O-CB 3.34Å; I601-N605 PolarHBondContact O-N 3.36Å; I601-I834 HydrophobicContact CD1-CB 4.32Å; I601-I834 HydrophobicContact CD1-CD1 4.15Å; I601-I834 HydrophobicContact CD1-CG2 4.26Å; I601-I834 HydrophobicContact CG2-CG2 4.22Å; I601-A835 HydrophobicContact CG2-CB 4.3Å; I601-L838 HydrophobicContact CG2-CD2 3.9Å; I601-W887 HydrophobicContact CG2-CH2 4.13Å
602	G	96.7	Very high	95.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.3	-38.8	178.1	0	0	0	0	0	113.5	Y598 A599 C600 N605 S606 S881 W887	Y598-G602 PolarHBondContact O-N 3.43Å; A599-G602 PolarHBondContact O-N 2.86Å; C600-G602 VanDerWaalsContact C-N 3.33Å; C600-G602 PolarHBondContact O-N 2.87Å; G602-N605 WeakPolarHBondContact O-CB 3.38Å; G602-N605 PolarHBondContact O-N 3.04Å; G602-S606 PolarHBondContact O-N 3.05Å; G602-S606 PolarHBondContact O-OG 3.22Å; G602-S881 VanDerWaalsContact CA-OG 3.3Å; G602-S881 WeakPolarHBondContact CA-OG 3.42Å; G602-W887 VanDerWaalsContact CA-CZ2 3.43Å
603	L	97.1	Very high	95.6	Very high	50 Å²	50	24.8 Å²	24.8	26%	0.262	12%	0.121	S	C	.	.	H	α-helix	trans	-66.9	-43.5	175.5	-71.8	173.6	0	0	0	112.4	A599 C600 I601 S606 L607 L820 I878 I882	A599-L603 WeakPolarHBondContact O-CB 3.35Å; A599-L603 VanDerWaalsContact O-CG 3.25Å; A599-L603 WeakPolarHBondContact O-CG 3.45Å; A599-L603 PolarHBondContact O-N 3.43Å; C600-L603 PolarHBondContact O-N 2.97Å; I601-L603 PolarHBondContact O-N 3.36Å; L603-S606 PolarHBondContact O-N 2.93Å; L603-L607 WeakPolarHBondContact O-CB 3.32Å; L603-L607 PolarHBondContact O-N 2.91Å; L603-L820 HydrophobicContact CD1-CD1 3.74Å; L603-I878 HydrophobicContact CD2-CB 4.45Å; L603-I878 HydrophobicContact CD2-CG1 4.38Å; L603-I878 HydrophobicContact CD2-CG2 3.99Å; L603-I882 HydrophobicContact CD2-CG1 4.38Å
604	F	97.9	Very high	95.6	Very high	46 Å²	46	23.7 Å²	23.7	20%	0.202	12%	0.116	C	C	.	.	H	α-helix	trans	-65.5	-39.5	174.1	-78.4	-61.9	0	0	0	112.1	C600 I601 L607 F608 V828 I832 A835	C600-F604 VanDerWaalsContact O-CD2 3.29Å; C600-F604 WeakPolarHBondContact O-CD2 3.22Å; C600-F604 PolarHBondContact O-N 3.07Å; C600-F604 VanDerWaalsContact SG-CE2 3.53Å; I601-F604 PolarHBondContact O-N 3.41Å; F604-L607 WeakPolarHBondContact O-CB 3.29Å; F604-L607 PolarHBondContact O-N 3.17Å; F604-F608 HydrophobicContact CB-CE2 4.39Å; F604-F608 WeakPolarHBondContact O-CD2 3.47Å; F604-F608 WeakPolarHBondContact O-CG 3.46Å; F604-F608 PolarHBondContact O-N 3.13Å; F604-V828 HydrophobicContact CE2-CG1 3.75Å; F604-V828 HydrophobicContact CZ-CG1 3.77Å; F604-I832 HydrophobicContact CD1-CG1 3.85Å; F604-I832 HydrophobicContact CD2-CG1 3.81Å; F604-I832 HydrophobicContact CE1-CD1 3.93Å; F604-I832 HydrophobicContact CE1-CG1 3.7Å; F604-I832 HydrophobicContact CE2-CD1 4.27Å; F604-I832 HydrophobicContact CE2-CG1 3.64Å; F604-I832 HydrophobicContact CG-CG1 3.92Å; F604-I832 HydrophobicContact CZ-CD1 3.79Å; F604-I832 HydrophobicContact CZ-CG1 3.6Å; F604-A835 HydrophobicContact CB-CB 3.57Å
605	N	96.9	Very high	95.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-56	-52.7	173.1	175.1	46.1	0	0	0	110.9	I601 G602 L607 F608 L609 L838 S839	I601-N605 VanDerWaalsContact O-CB 3.31Å; I601-N605 WeakPolarHBondContact O-CB 3.34Å; I601-N605 PolarHBondContact O-N 3.36Å; G602-N605 WeakPolarHBondContact O-CB 3.38Å; G602-N605 PolarHBondContact O-N 3.04Å; N605-L607 VanDerWaalsContact C-N 3.31Å; N605-L607 PolarHBondContact O-N 2.98Å; N605-F608 PolarHBondContact O-N 3.19Å; N605-L609 WeakPolarHBondContact O-CG 3.37Å; N605-L609 PolarHBondContact O-N 3.11Å; N605-L838 HydrophobicContact CB-CD2 4.01Å; N605-L838 HydrophobicContact CB-CG 4.34Å; N605-S839 WeakPolarHBondContact OD1-CA 3.34Å; N605-S839 WeakPolarHBondContact OD1-CB 3.15Å; N605-S839 PolarHBondContact OD1-N 3.31Å; N605-S839 VanDerWaalsContact OD1-N 3.13Å
606	S	97.8	Very high	95.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.6	-37.8	175.8	-75.9	0	0	0	0	113.2	G602 L603 L609 I610 A874 N877 I878	G602-S606 PolarHBondContact O-N 3.05Å; G602-S606 PolarHBondContact O-OG 3.22Å; L603-S606 PolarHBondContact O-N 2.93Å; S606-L609 PolarHBondContact O-N 3.32Å; S606-I610 WeakPolarHBondContact O-CG1 3.46Å; S606-I610 PolarHBondContact O-N 3.11Å; S606-A874 WeakPolarHBondContact CB-O 3.39Å; S606-A874 PolarHBondContact OG-O 3.46Å; S606-N877 WeakPolarHBondContact OG-CB 3.34Å; S606-I878 VanDerWaalsContact CB-CG1 3.44Å; S606-I878 PolarHBondContact OG-N 2.99Å
607	L	97.6	Very high	94.8	Very high	84 Å²	84	27 Å²	27	44%	0.44	14%	0.142	S	C	.	.	H	α-helix	trans	-60.8	-44.9	175.4	178.4	139.2	0	0	0	111.4	L603 F604 N605 L609 I610 I611	L603-L607 WeakPolarHBondContact O-CB 3.32Å; L603-L607 PolarHBondContact O-N 2.91Å; F604-L607 WeakPolarHBondContact O-CB 3.29Å; F604-L607 PolarHBondContact O-N 3.17Å; N605-L607 VanDerWaalsContact C-N 3.31Å; N605-L607 PolarHBondContact O-N 2.98Å; L607-L609 PolarHBondContact O-N 3.42Å; L607-I610 PolarHBondContact O-N 3.2Å; L607-I611 HydrophobicContact CD2-CD1 3.64Å; L607-I611 HydrophobicContact CG-CD1 4.34Å; L607-I611 WeakPolarHBondContact O-CG1 3.43Å; L607-I611 PolarHBondContact O-N 3.37Å
608	F	97.1	Very high	94.2	Very high	39 Å²	39	26.9 Å²	26.9	17%	0.171	14%	0.142	C	C	.	.	H	α-helix	trans	-62.7	-40.3	174.5	-68.2	-51.6	0	0	0	112.3	F604 N605 I610 I611 Y612 I832 A835 I836	F604-F608 HydrophobicContact CB-CE2 4.39Å; F604-F608 WeakPolarHBondContact O-CD2 3.47Å; F604-F608 WeakPolarHBondContact O-CG 3.46Å; F604-F608 PolarHBondContact O-N 3.13Å; N605-F608 PolarHBondContact O-N 3.19Å; F608-I610 PolarHBondContact O-N 2.87Å; F608-I611 HydrophobicContact CD1-CD1 4.36Å; F608-I611 WeakPolarHBondContact O-CB 3.34Å; F608-I611 PolarHBondContact O-N 3Å; F608-Y612 HydrophobicContact CB-CE1 4.45Å; F608-Y612 HydrophobicContact CB-CE2 4.26Å; F608-Y612 VanDerWaalsContact O-CD1 3.22Å; F608-Y612 WeakPolarHBondContact O-CD1 3.49Å; F608-Y612 WeakPolarHBondContact O-CD2 3.49Å; F608-Y612 PolarHBondContact O-N 3.43Å; F608-I832 HydrophobicContact CZ-CG2 4.1Å; F608-A835 HydrophobicContact CD2-CB 4.3Å; F608-A835 HydrophobicContact CE2-CB 4.03Å; F608-I836 HydrophobicContact CD2-CG1 4.47Å; F608-I836 HydrophobicContact CE2-CG1 3.7Å; F608-I836 HydrophobicContact CZ-CD1 4.48Å; F608-I836 HydrophobicContact CZ-CG1 3.77Å
609	L	96.7	Very high	93.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.3	-37.7	176.3	-64.3	172.2	0	0	0	112.8	N605 S606 L607 Y612 S613 F842 L870 A874	N605-L609 WeakPolarHBondContact O-CG 3.37Å; N605-L609 PolarHBondContact O-N 3.11Å; S606-L609 PolarHBondContact O-N 3.32Å; L607-L609 PolarHBondContact O-N 3.42Å; L609-Y612 HydrophobicContact CD2-CD2 4.15Å; L609-Y612 PolarHBondContact O-N 2.88Å; L609-S613 WeakPolarHBondContact O-CB 3.32Å; L609-S613 PolarHBondContact O-N 3.17Å; L609-F842 HydrophobicContact CD1-CB 3.88Å; L609-F842 HydrophobicContact CD1-CD1 3.69Å; L609-F842 HydrophobicContact CD1-CG 4.07Å; L609-F842 HydrophobicContact CD2-CB 3.67Å; L609-F842 HydrophobicContact CG-CB 4.35Å; L609-L870 HydrophobicContact CD2-CD1 3.8Å; L609-A874 HydrophobicContact CB-CB 3.67Å; L609-A874 HydrophobicContact CD1-CB 4.48Å
610	I	96.5	Very high	92.6	Very high	47 Å²	47	40 Å²	40	24%	0.241	19%	0.191	C	C	.	.	H	α-helix	trans	-62.1	-47.4	172.1	-69.8	168.5	0	0	0	109.7	S606 L607 F608 Y612 S613 V614 F871 A874 I878	S606-I610 WeakPolarHBondContact O-CG1 3.46Å; S606-I610 PolarHBondContact O-N 3.11Å; L607-I610 PolarHBondContact O-N 3.2Å; F608-I610 PolarHBondContact O-N 2.87Å; I610-Y612 VanDerWaalsContact C-N 3.32Å; I610-Y612 PolarHBondContact O-N 3.37Å; I610-S613 PolarHBondContact O-N 2.8Å; I610-V614 HydrophobicContact CG2-CG2 4.02Å; I610-V614 VanDerWaalsContact O-CB 3.22Å; I610-V614 WeakPolarHBondContact O-CB 3.41Å; I610-V614 VanDerWaalsContact O-CG2 3.24Å; I610-V614 WeakPolarHBondContact O-CG2 3.14Å; I610-V614 PolarHBondContact O-N 3.25Å; I610-F871 HydrophobicContact CG1-CD2 4.27Å; I610-F871 HydrophobicContact CG1-CE2 4.25Å; I610-F871 HydrophobicContact CG2-CD2 4.49Å; I610-F871 HydrophobicContact CG2-CE2 4.23Å; I610-A874 HydrophobicContact CD1-CB 4.43Å; I610-A874 HydrophobicContact CG1-CB 3.67Å; I610-I878 HydrophobicContact CD1-CD1 3.95Å
611	I	94.9	Very high	91.7	Very high	72 Å²	72	40.2 Å²	40.2	37%	0.369	19%	0.191	S	C	.	.	H	α-helix	trans	-57.2	-46.6	176.4	-67.8	167.1	0	0	0	110.3	L607 F608 S613 V614 C615	L607-I611 HydrophobicContact CD2-CD1 3.64Å; L607-I611 HydrophobicContact CG-CD1 4.34Å; L607-I611 WeakPolarHBondContact O-CG1 3.43Å; L607-I611 PolarHBondContact O-N 3.37Å; F608-I611 HydrophobicContact CD1-CD1 4.36Å; F608-I611 WeakPolarHBondContact O-CB 3.34Å; F608-I611 PolarHBondContact O-N 3Å; I611-S613 PolarHBondContact O-N 3.25Å; I611-V614 PolarHBondContact O-N 2.95Å; I611-C615 WeakPolarHBondContact O-CB 3.28Å; I611-C615 PolarHBondContact O-N 3.29Å; I611-C615 PolarHBondContact O-SG 3.27Å; I611-C615 VanDerWaalsContact O-SG 3.35Å
612	Y	94.1	Very high	90.4	Very high	35 Å²	35	47 Å²	47	14%	0.137	22%	0.221	C	C	.	.	H	α-helix	trans	-61.6	-42.7	179.6	-61	-15.2	0	0	0	112.3	F608 L609 I610 G616 F617 S839 Y843	F608-Y612 HydrophobicContact CB-CE1 4.45Å; F608-Y612 HydrophobicContact CB-CE2 4.26Å; F608-Y612 VanDerWaalsContact O-CD1 3.22Å; F608-Y612 WeakPolarHBondContact O-CD1 3.49Å; F608-Y612 WeakPolarHBondContact O-CD2 3.49Å; F608-Y612 PolarHBondContact O-N 3.43Å; L609-Y612 HydrophobicContact CD2-CD2 4.15Å; L609-Y612 PolarHBondContact O-N 2.88Å; I610-Y612 VanDerWaalsContact C-N 3.32Å; I610-Y612 PolarHBondContact O-N 3.37Å; Y612-G616 PolarHBondContact O-N 3.4Å; Y612-F617 AromaticContact CD1-CD2 3.29Å; Y612-F617 HydrophobicContact CD1-CD2 3.29Å; Y612-F617 AromaticContact CD1-CE2 3.62Å; Y612-F617 HydrophobicContact CD1-CE2 3.62Å; Y612-F617 HydrophobicContact CD1-CG 4.46Å; Y612-F617 HydrophobicContact CE1-CD2 4.01Å; Y612-F617 HydrophobicContact CE1-CE2 4.04Å; Y612-F617 AromaticContact CG-CD2 3.91Å; Y612-F617 HydrophobicContact CG-CD2 3.91Å; Y612-F617 WeakPolarHBondContact O-CB 3.27Å; Y612-F617 PolarHBondContact O-N 3.46Å; Y612-S839 PolarHBondContact OH-OG 3.24Å; Y612-Y843 HydrophobicContact CD2-CD2 4.09Å; Y612-Y843 HydrophobicContact CD2-CG 4.29Å
613	S	93.2	Very high	89.2	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67.6	-45.9	178.2	179.3	0	0	0	0	112.1	I485 L609 I610 I611 G616 H867 F871	I485-S613 VanDerWaalsContact CD1-OG 3.24Å; I485-S613 WeakPolarHBondContact CD1-OG 3.43Å; I485-S613 VanDerWaalsContact CG1-OG 3.25Å; I485-S613 WeakPolarHBondContact CG1-OG 3.38Å; L609-S613 WeakPolarHBondContact O-CB 3.32Å; L609-S613 PolarHBondContact O-N 3.17Å; I610-S613 PolarHBondContact O-N 2.8Å; I611-S613 PolarHBondContact O-N 3.25Å; S613-G616 PolarHBondContact O-N 3.33Å; S613-H867 PolarHBondContact OG-O 3.16Å; S613-F871 WeakPolarHBondContact OG-CB 3.35Å
614	V	92.4	Very high	88.2	Confident	40 Å²	40	52.5 Å²	52.5	24%	0.242	24%	0.239	C	C	.	.	H	α-helix	trans	-71.2	-38.9	-176.2	168	0	0	0	0	111.9	I481 G482 I485 I610 I611 G616	I481-V614 HydrophobicContact CG2-CG1 3.13Å; G482-V614 PolarHBondContact N-O 3.46Å; I485-V614 HydrophobicContact CD1-CG2 3.74Å; I610-V614 HydrophobicContact CG2-CG2 4.02Å; I610-V614 VanDerWaalsContact O-CB 3.22Å; I610-V614 WeakPolarHBondContact O-CB 3.41Å; I610-V614 VanDerWaalsContact O-CG2 3.24Å; I610-V614 WeakPolarHBondContact O-CG2 3.14Å; I610-V614 PolarHBondContact O-N 3.25Å; I611-V614 PolarHBondContact O-N 2.95Å; V614-G616 PolarHBondContact O-N 2.81Å
615	C	91.2	Very high	87.4	Confident	66 Å²	66	51.6 Å²	51.6	45%	0.446	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-8	173	-67.9	0	0	0	0	113.4	I611 F617	I611-C615 WeakPolarHBondContact O-CB 3.28Å; I611-C615 PolarHBondContact O-N 3.29Å; I611-C615 PolarHBondContact O-SG 3.27Å; I611-C615 VanDerWaalsContact O-SG 3.35Å; C615-F617 HydrophobicContact CB-CD1 3.97Å; C615-F617 HydrophobicContact CB-CE1 3.79Å; C615-F617 HydrophobicContact CB-CG 4.5Å; C615-F617 HydrophobicContact CB-CZ 4.14Å
616	G	85.8	Confident	86.7	Confident	7 Å²	7	53 Å²	53	7%	0.072	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	29.1	178.6	0	0	0	0	0	114.2	Y612 S613 V614 S618 R619	Y612-G616 PolarHBondContact O-N 3.4Å; S613-G616 PolarHBondContact O-N 3.33Å; V614-G616 PolarHBondContact O-N 2.81Å; G616-S618 PolarHBondContact O-N 3.09Å; G616-R619 WeakPolarHBondContact O-CB 3.47Å; G616-R619 WeakPolarHBondContact O-CG 3.47Å; G616-R619 PolarHBondContact O-N 3.19Å
617	F	85.7	Confident	86	Confident	61 Å²	61	53 Å²	53	27%	0.268	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-66.2	-22.2	179.8	-71.3	-8.7	0	0	0	113.3	Y612 C615 R619 W620 Y843	Y612-F617 AromaticContact CD1-CD2 3.29Å; Y612-F617 HydrophobicContact CD1-CD2 3.29Å; Y612-F617 AromaticContact CD1-CE2 3.62Å; Y612-F617 HydrophobicContact CD1-CE2 3.62Å; Y612-F617 HydrophobicContact CD1-CG 4.46Å; Y612-F617 HydrophobicContact CE1-CD2 4.01Å; Y612-F617 HydrophobicContact CE1-CE2 4.04Å; Y612-F617 AromaticContact CG-CD2 3.91Å; Y612-F617 HydrophobicContact CG-CD2 3.91Å; Y612-F617 WeakPolarHBondContact O-CB 3.27Å; Y612-F617 PolarHBondContact O-N 3.46Å; C615-F617 HydrophobicContact CB-CD1 3.97Å; C615-F617 HydrophobicContact CB-CE1 3.79Å; C615-F617 HydrophobicContact CB-CG 4.5Å; C615-F617 HydrophobicContact CB-CZ 4.14Å; F617-R619 PolarHBondContact O-N 2.86Å; F617-W620 HydrophobicContact CD1-CZ2 4.33Å; F617-W620 HydrophobicContact CE1-CZ2 4.24Å; F617-W620 VanDerWaalsContact O-CB 3.26Å; F617-W620 WeakPolarHBondContact O-CB 2.99Å; F617-W620 PolarHBondContact O-N 3.06Å; F617-Y843 HydrophobicContact CB-CE2 4.24Å; F617-Y843 PolarHBondContact O-OH 3.44Å
618	S	82.4	Confident	85.4	Confident	5 Å²	5	49.6 Å²	49.6	4%	0.035	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-56.7	-18	173.1	-46.7	0	0	0	0	113.1	G616 W620 M621	G616-S618 PolarHBondContact O-N 3.09Å; S618-W620 VanDerWaalsContact C-N 3.29Å; S618-W620 PolarHBondContact O-N 2.89Å; S618-M621 WeakPolarHBondContact O-CB 3.48Å; S618-M621 PolarHBondContact O-N 2.9Å
619	R	77.7	Confident	84.9	Confident	125 Å²	125	48.3 Å²	48.3	47%	0.472	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-65.3	-28.5	170.6	-64.3	176.5	-176.6	175.8	0.2	113.5	G616 F617 M621 K622	G616-R619 WeakPolarHBondContact O-CB 3.47Å; G616-R619 WeakPolarHBondContact O-CG 3.47Å; G616-R619 PolarHBondContact O-N 3.19Å; F617-R619 PolarHBondContact O-N 2.86Å; R619-M621 PolarHBondContact O-N 3.44Å; R619-K622 WeakPolarHBondContact O-CB 3.49Å; R619-K622 VanDerWaalsContact O-CG 3.29Å; R619-K622 WeakPolarHBondContact O-CG 3.26Å; R619-K622 PolarHBondContact O-N 3.45Å; R619-K622 VanDerWaalsContact O-N 3.1Å
620	W	79.1	Confident	84.5	Confident	151 Å²	151	48.9 Å²	48.9	57%	0.572	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-63.8	-18.5	175.8	-68	4.5	0	0	0	111.8	F617 S618 K622 W623	F617-W620 HydrophobicContact CD1-CZ2 4.33Å; F617-W620 HydrophobicContact CE1-CZ2 4.24Å; F617-W620 VanDerWaalsContact O-CB 3.26Å; F617-W620 WeakPolarHBondContact O-CB 2.99Å; F617-W620 PolarHBondContact O-N 3.06Å; S618-W620 VanDerWaalsContact C-N 3.29Å; S618-W620 PolarHBondContact O-N 2.89Å; W620-K622 PolarHBondContact O-N 3.43Å; W620-K622 VanDerWaalsContact O-N 3.09Å; W620-W623 WeakPolarHBondContact O-CB 3.44Å; W620-W623 PolarHBondContact O-N 2.78Å
621	M	77.6	Confident	84.2	Confident	16 Å²	16	46.8 Å²	46.8	8%	0.079	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-60.4	-18.5	172.7	-154.4	62.8	162.8	0	0	113.7	S618 R619 W623 S624 N847 I848	S618-M621 WeakPolarHBondContact O-CB 3.48Å; S618-M621 PolarHBondContact O-N 2.9Å; R619-M621 PolarHBondContact O-N 3.44Å; M621-W623 PolarHBondContact O-N 2.78Å; M621-W623 VanDerWaalsContact O-N 3.09Å; M621-S624 WeakPolarHBondContact O-CA 3.32Å; M621-S624 VanDerWaalsContact O-CB 3.3Å; M621-S624 WeakPolarHBondContact O-CB 3.39Å; M621-S624 PolarHBondContact O-N 2.82Å; M621-S624 VanDerWaalsContact O-O 3.14Å; M621-N847 HydrophobicContact CB-CB 4.47Å; M621-N847 HydrophobicContact CE-CB 3.32Å; M621-N847 HydrophobicContact CG-CB 3.85Å; M621-N847 HydrophobicContact SD-CB 3.6Å; M621-N847 VanDerWaalsContact SD-CB 3.6Å; M621-I848 HydrophobicContact CE-CB 4.07Å; M621-I848 HydrophobicContact CE-CG1 3.37Å
622	K	69	Low	83.9	Confident	144 Å²	144	43.6 Å²	43.6	63%	0.626	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-57.2	-21.9	170.5	-68.4	179.4	-179.6	-174.1	0	113.3	R619 W620	R619-K622 WeakPolarHBondContact O-CB 3.49Å; R619-K622 VanDerWaalsContact O-CG 3.29Å; R619-K622 WeakPolarHBondContact O-CG 3.26Å; R619-K622 PolarHBondContact O-N 3.45Å; R619-K622 VanDerWaalsContact O-N 3.1Å; W620-K622 PolarHBondContact O-N 3.43Å; W620-K622 VanDerWaalsContact O-N 3.09Å
623	W	71.5	Confident	83.7	Confident	157 Å²	157	42.9 Å²	42.9	60%	0.595	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-82.6	-22.7	174.3	-64	-6.1	0	0	0	112.9	W620 M621 I1037	W620-W623 WeakPolarHBondContact O-CB 3.44Å; W620-W623 PolarHBondContact O-N 2.78Å; M621-W623 PolarHBondContact O-N 2.78Å; M621-W623 VanDerWaalsContact O-N 3.09Å; W623-I1037 HydrophobicContact CB-CG2 4.44Å
624	S	76.2	Confident	83.6	Confident	8 Å²	8	43.2 Å²	43.2	6%	0.056	20%	0.198	C	C	.	.	S	Bend	trans	-70.7	131.4	165.8	-172.9	0	0	0	0	108.4	M621	M621-S624 WeakPolarHBondContact O-CA 3.32Å; M621-S624 VanDerWaalsContact O-CB 3.3Å; M621-S624 WeakPolarHBondContact O-CB 3.39Å; M621-S624 PolarHBondContact O-N 2.82Å; M621-S624 VanDerWaalsContact O-O 3.14Å
625	T	81.2	Confident	83.6	Confident	26 Å²	26	42.2 Å²	42.2	16%	0.16	19%	0.191	C	C	.	.			trans	-114.2	169.2	178.2	59.3	0	0	0	0	110.5	S627 T628 E629 R1040	T625-S627 VanDerWaalsContact C-N 3.26Å; T625-S627 PolarHBondContact O-N 3.24Å; T625-S627 PolarHBondContact OG1-OG 2.79Å; T625-T628 WeakPolarHBondContact O-CB 3.35Å; T625-T628 PolarHBondContact O-N 3.44Å; T625-E629 PolarHBondContact O-N 3.45Å; T625-E629 VanDerWaalsContact O-N 3.14Å; T625-R1040 VanDerWaalsContact CB-CZ 3.43Å; T625-R1040 VanDerWaalsContact CB-NH2 3.31Å; T625-R1040 VanDerWaalsContact CG2-CZ 3.41Å; T625-R1040 VanDerWaalsContact CG2-NH2 3.3Å; T625-R1040 PolarHBondContact OG1-NE 3.12Å; T625-R1040 VanDerWaalsContact OG1-NE 3.09Å; T625-R1040 PolarHBondContact OG1-NH1 3.42Å; T625-R1040 PolarHBondContact OG1-NH2 3.03Å
626	R	82.2	Confident	83.6	Confident	31 Å²	31	40 Å²	40	12%	0.117	18%	0.175	C	C	.	.	H	α-helix	trans	-46	-47	172.8	-171.3	-176.9	179.7	135.9	18.9	113.5	T628 E629 E630 H1059	R626-T628 VanDerWaalsContact C-N 3.3Å; R626-T628 PolarHBondContact O-N 2.97Å; R626-E629 WeakPolarHBondContact O-CB 3.37Å; R626-E629 PolarHBondContact O-N 2.92Å; R626-E630 HydrophobicContact CG-CG 4.4Å; R626-E630 WeakPolarHBondContact CG-OE1 3.33Å; R626-E630 IonicContact CZ-OE1 3.62Å; R626-E630 IonicContact NE-OE1 3.78Å; R626-E630 PolarHBondContact NE-OE1 3.43Å; R626-E630 WeakPolarHBondContact O-CG 3.29Å; R626-E630 PolarHBondContact O-N 3.44Å; R626-H1059 PolarHBondContact N-NE2 2.82Å
627	S	84.2	Confident	83.9	Confident	0 Å²	0	40 Å²	40	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.8	-37.1	178.3	58.9	0	0	0	0	114.2	T625 E630 I631 R1040 D1057	T625-S627 VanDerWaalsContact C-N 3.26Å; T625-S627 PolarHBondContact O-N 3.24Å; T625-S627 PolarHBondContact OG1-OG 2.79Å; S627-E630 PolarHBondContact O-N 3.03Å; S627-I631 WeakPolarHBondContact O-CD1 3.49Å; S627-I631 VanDerWaalsContact O-CG1 3.22Å; S627-I631 WeakPolarHBondContact O-CG1 3.17Å; S627-I631 PolarHBondContact O-N 3.3Å; S627-R1040 WeakPolarHBondContact OG-CD 3.49Å; S627-R1040 PolarHBondContact OG-NE 2.83Å; S627-D1057 VanDerWaalsContact CB-OD1 3.27Å; S627-D1057 WeakPolarHBondContact CB-OD1 3.33Å
628	T	84.2	Confident	84.2	Confident	12 Å²	12	40.8 Å²	40.8	7%	0.074	18%	0.179	C	C	.	.	H	α-helix	trans	-69.1	-41.8	178.2	-54.7	0	0	0	0	109.9	T625 R626 E630 I631 F632 I1037 R1040	T625-T628 WeakPolarHBondContact O-CB 3.35Å; T625-T628 PolarHBondContact O-N 3.44Å; R626-T628 VanDerWaalsContact C-N 3.3Å; R626-T628 PolarHBondContact O-N 2.97Å; T628-E630 VanDerWaalsContact C-N 3.32Å; T628-E630 PolarHBondContact O-N 2.93Å; T628-I631 PolarHBondContact O-N 3.39Å; T628-F632 WeakPolarHBondContact O-CB 3.23Å; T628-F632 PolarHBondContact O-N 3.44Å; T628-I1037 HydrophobicContact CG2-CD1 4.23Å; T628-I1037 HydrophobicContact CG2-CG1 3.64Å; T628-R1040 WeakPolarHBondContact OG1-CD 3.24Å
629	E	86.6	Confident	84.6	Confident	11 Å²	11	41.5 Å²	41.5	5%	0.051	19%	0.185	C	C	.	.	H	α-helix	trans	-60.8	-42.2	175.1	-63.4	161.1	-151.1	0	0	111.3	T625 R626 F632 A633 I848 A851 I852 H1059	T625-E629 PolarHBondContact O-N 3.45Å; T625-E629 VanDerWaalsContact O-N 3.14Å; R626-E629 WeakPolarHBondContact O-CB 3.37Å; R626-E629 PolarHBondContact O-N 2.92Å; E629-F632 PolarHBondContact O-N 2.97Å; E629-A633 WeakPolarHBondContact O-CB 3.49Å; E629-A633 PolarHBondContact O-N 3.14Å; E629-I848 HydrophobicContact CG-CG2 4.33Å; E629-A851 HydrophobicContact CG-CB 4.26Å; E629-A851 WeakPolarHBondContact OE1-CB 3.26Å; E629-I852 HydrophobicContact CB-CD1 4.29Å; E629-I852 HydrophobicContact CB-CG1 3.92Å; E629-I852 HydrophobicContact CG-CG1 4.38Å; E629-H1059 VanDerWaalsContact CD-NE2 3.34Å; E629-H1059 IonicContact OE1-CD2 2.73Å; E629-H1059 IonicContact OE1-CE1 3.12Å; E629-H1059 IonicContact OE1-NE2 2.93Å; E629-H1059 PolarHBondContact OE1-NE2 3Å; E629-H1059 IonicContact OE2-CE1 3.51Å; E629-H1059 PolarHBondContact OE2-CE1 2.85Å; E629-H1059 IonicContact OE2-NE2 3.52Å; E629-H1059 PolarHBondContact OE2-NE2 3.19Å
630	E	88.4	Confident	85.2	Confident	13 Å²	13	36.5 Å²	36.5	6%	0.061	17%	0.167	C	C	.	.	H	α-helix	trans	-64.2	-41.9	176.1	-73.4	175.7	-176.8	0	0	112.4	R626 S627 T628 A633 M634 N970 Q971 M972 R975	R626-E630 HydrophobicContact CG-CG 4.4Å; R626-E630 WeakPolarHBondContact CG-OE1 3.33Å; R626-E630 IonicContact CZ-OE1 3.62Å; R626-E630 IonicContact NE-OE1 3.78Å; R626-E630 PolarHBondContact NE-OE1 3.43Å; R626-E630 WeakPolarHBondContact O-CG 3.29Å; R626-E630 PolarHBondContact O-N 3.44Å; S627-E630 PolarHBondContact O-N 3.03Å; T628-E630 VanDerWaalsContact C-N 3.32Å; T628-E630 PolarHBondContact O-N 2.93Å; E630-A633 PolarHBondContact O-N 3.35Å; E630-M634 WeakPolarHBondContact O-CB 3.46Å; E630-M634 VanDerWaalsContact O-CG 3.31Å; E630-M634 WeakPolarHBondContact O-CG 3.47Å; E630-M634 PolarHBondContact O-N 3.11Å; E630-N970 WeakPolarHBondContact CB-OD1 3.24Å; E630-N970 WeakPolarHBondContact CG-OD1 3.41Å; E630-N970 PolarHBondContact O-ND2 3.48Å; E630-N970 VanDerWaalsContact O-ND2 3.07Å; E630-Q971 WeakPolarHBondContact OE1-CB 3.37Å; E630-M972 HydrophobicContact CB-CB 3.99Å; E630-M972 PolarHBondContact OE2-N 3.12Å; E630-R975 IonicContact OE2-CZ 2.71Å; E630-R975 IonicContact OE2-NH2 2.73Å; E630-R975 PolarHBondContact OE2-NH2 3.39Å
631	I	90.4	Very high	85.8	Confident	3 Å²	3	33.7 Å²	33.7	2%	0.015	16%	0.163	C	C	.	.	H	α-helix	trans	-62.7	-44.2	174.7	-71.5	161.5	0	0	0	110.4	S627 T628 M634 F635 M972 Q1007 Q1010 L1011 L1014	S627-I631 WeakPolarHBondContact O-CD1 3.49Å; S627-I631 VanDerWaalsContact O-CG1 3.22Å; S627-I631 WeakPolarHBondContact O-CG1 3.17Å; S627-I631 PolarHBondContact O-N 3.3Å; T628-I631 PolarHBondContact O-N 3.39Å; I631-M634 WeakPolarHBondContact O-CB 3.45Å; I631-M634 PolarHBondContact O-N 3.39Å; I631-F635 WeakPolarHBondContact O-CB 3.5Å; I631-F635 PolarHBondContact O-N 2.81Å; I631-M972 HydrophobicContact CG1-CE 4.44Å; I631-M972 HydrophobicContact CG1-SD 3.74Å; I631-Q1007 HydrophobicContact CD1-CB 4.18Å; I631-Q1007 HydrophobicContact CD1-CG 4.18Å; I631-Q1007 HydrophobicContact CG1-CB 4.28Å; I631-Q1010 HydrophobicContact CD1-CB 4.02Å; I631-L1011 HydrophobicContact CG2-CB 4.3Å; I631-L1011 HydrophobicContact CG2-CD1 4.32Å; I631-L1014 HydrophobicContact CG2-CD2 4.3Å
632	F	88.4	Confident	86.5	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.018	18%	0.18	C	C	.	.	H	α-helix	trans	-65.9	-43	178.9	-172	-108.1	0	0	0	111.7	T628 E629 M634 F635 V636 E845 I848 L892 F1029 L1033	T628-F632 WeakPolarHBondContact O-CB 3.23Å; T628-F632 PolarHBondContact O-N 3.44Å; E629-F632 PolarHBondContact O-N 2.97Å; F632-M634 VanDerWaalsContact C-N 3.33Å; F632-M634 PolarHBondContact O-N 3.22Å; F632-F635 HydrophobicContact CD2-CD1 4.49Å; F632-F635 HydrophobicContact CE2-CD1 4.4Å; F632-F635 PolarHBondContact O-N 2.89Å; F632-V636 HydrophobicContact CD1-CG2 4.27Å; F632-V636 HydrophobicContact CE1-CG2 3.9Å; F632-V636 HydrophobicContact CE2-CG2 4.34Å; F632-V636 HydrophobicContact CZ-CG2 3.94Å; F632-V636 WeakPolarHBondContact O-CG2 3.22Å; F632-V636 PolarHBondContact O-N 2.88Å; F632-E845 HydrophobicContact CE1-CG 4.45Å; F632-E845 HydrophobicContact CZ-CG 3.93Å; F632-I848 HydrophobicContact CB-CD1 4.29Å; F632-I848 HydrophobicContact CB-CG2 4.37Å; F632-I848 HydrophobicContact CD1-CB 4.3Å; F632-I848 HydrophobicContact CD1-CD1 3.91Å; F632-I848 HydrophobicContact CD1-CG2 3.59Å; F632-I848 HydrophobicContact CD2-CD1 4.29Å; F632-I848 HydrophobicContact CE1-CD1 4.3Å; F632-I848 HydrophobicContact CE1-CG2 4.29Å; F632-I848 HydrophobicContact CG-CD1 3.89Å; F632-I848 HydrophobicContact CG-CG2 4.28Å; F632-L892 HydrophobicContact CD1-CD1 3.55Å; F632-L892 HydrophobicContact CE1-CD1 3.69Å; F632-F1029 HydrophobicContact CE2-CE1 4.19Å; F632-F1029 HydrophobicContact CE2-CZ 4.1Å; F632-L1033 HydrophobicContact CD2-CD1 4.13Å; F632-L1033 HydrophobicContact CD2-CD2 3.9Å; F632-L1033 HydrophobicContact CE2-CD1 3.79Å; F632-L1033 HydrophobicContact CE2-CD2 4.32Å
633	A	89.6	Confident	87.3	Confident	20 Å²	20	33.9 Å²	33.9	17%	0.165	16%	0.164	C	C	.	.	H	α-helix	trans	-60.3	-41.9	174	0	0	0	0	0	112	E629 E630 V636 S637 I852	E629-A633 WeakPolarHBondContact O-CB 3.49Å; E629-A633 PolarHBondContact O-N 3.14Å; E630-A633 PolarHBondContact O-N 3.35Å; A633-V636 PolarHBondContact O-N 3.26Å; A633-S637 PolarHBondContact O-N 3.38Å; A633-S637 PolarHBondContact O-OG 3.03Å; A633-I852 HydrophobicContact CB-CD1 4.48Å
634	M	92.2	Very high	88.3	Confident	8 Å²	8	26.5 Å²	26.5	4%	0.039	14%	0.136	C	C	.	.	H	α-helix	trans	-60.5	-44.7	173.3	-77.3	-61.6	-61.4	0	0	112.2	E630 I631 F632 S637 M638 L967 N970 M972 F973 I976 L1011	E630-M634 WeakPolarHBondContact O-CB 3.46Å; E630-M634 VanDerWaalsContact O-CG 3.31Å; E630-M634 WeakPolarHBondContact O-CG 3.47Å; E630-M634 PolarHBondContact O-N 3.11Å; I631-M634 WeakPolarHBondContact O-CB 3.45Å; I631-M634 PolarHBondContact O-N 3.39Å; F632-M634 VanDerWaalsContact C-N 3.33Å; F632-M634 PolarHBondContact O-N 3.22Å; M634-S637 PolarHBondContact O-N 3.42Å; M634-M638 HydrophobicContact CE-CE 4.48Å; M634-M638 WeakPolarHBondContact O-CG 3.42Å; M634-M638 PolarHBondContact O-N 3.47Å; M634-L967 HydrophobicContact CE-CD2 3.79Å; M634-L967 HydrophobicContact SD-CD2 3.21Å; M634-L967 WeakPolarHBondContact SD-CD2 3.38Å; M634-N970 WeakPolarHBondContact CG-ND2 3.35Å; M634-M972 HydrophobicContact CB-SD 4.5Å; M634-M972 HydrophobicContact CG-CB 4.48Å; M634-M972 HydrophobicContact CG-CE 4.48Å; M634-M972 HydrophobicContact CG-CG 4.36Å; M634-M972 HydrophobicContact CG-SD 3.8Å; M634-F973 HydrophobicContact CE-CD2 4.1Å; M634-F973 HydrophobicContact SD-CB 3.89Å; M634-F973 HydrophobicContact SD-CD2 4.27Å; M634-F973 HydrophobicContact SD-CG 4.49Å; M634-I976 HydrophobicContact CE-CD1 4.23Å; M634-L1011 HydrophobicContact CB-CD1 4.09Å; M634-L1011 HydrophobicContact CB-CD2 3.96Å; M634-L1011 HydrophobicContact CE-CD2 4.39Å
635	F	92.6	Very high	89.1	Confident	19 Å²	19	27.8 Å²	27.8	8%	0.083	15%	0.151	C	C	.	.	H	α-helix	trans	-61.5	-46.9	178.5	168.2	-98.2	0	0	0	111.8	I631 F632 S637 M638 A639 L1011 L1014 F1019 F1029	I631-F635 WeakPolarHBondContact O-CB 3.5Å; I631-F635 PolarHBondContact O-N 2.81Å; F632-F635 HydrophobicContact CD2-CD1 4.49Å; F632-F635 HydrophobicContact CE2-CD1 4.4Å; F632-F635 PolarHBondContact O-N 2.89Å; F635-S637 PolarHBondContact O-N 3.48Å; F635-M638 WeakPolarHBondContact O-CB 3.42Å; F635-M638 PolarHBondContact O-N 3.27Å; F635-A639 PolarHBondContact O-N 2.87Å; F635-L1011 HydrophobicContact CB-CD1 3.88Å; F635-L1014 HydrophobicContact CB-CD2 3.6Å; F635-L1014 HydrophobicContact CB-CG 4.4Å; F635-L1014 HydrophobicContact CD1-CD2 4.13Å; F635-L1014 HydrophobicContact CD2-CB 4.42Å; F635-L1014 HydrophobicContact CD2-CD2 3.9Å; F635-L1014 HydrophobicContact CD2-CG 3.75Å; F635-L1014 HydrophobicContact CE2-CG 4.16Å; F635-L1014 HydrophobicContact CG-CD2 3.58Å; F635-L1014 HydrophobicContact CG-CG 3.96Å; F635-F1019 HydrophobicContact CE2-CZ 4.5Å; F635-F1029 HydrophobicContact CD1-CE2 4.2Å; F635-F1029 AromaticContact CD1-CZ 3.78Å; F635-F1029 HydrophobicContact CD1-CZ 3.78Å; F635-F1029 HydrophobicContact CE1-CE1 4.18Å; F635-F1029 AromaticContact CE1-CE2 3.5Å; F635-F1029 HydrophobicContact CE1-CE2 3.5Å; F635-F1029 AromaticContact CE1-CZ 3.21Å; F635-F1029 HydrophobicContact CE1-CZ 3.21Å; F635-F1029 HydrophobicContact CE2-CE2 4Å; F635-F1029 HydrophobicContact CZ-CD2 4.32Å; F635-F1029 AromaticContact CZ-CE2 3.38Å; F635-F1029 HydrophobicContact CZ-CE2 3.38Å; F635-F1029 AromaticContact CZ-CZ 3.64Å; F635-F1029 HydrophobicContact CZ-CZ 3.64Å
636	V	90.3	Very high	89.5	Confident	20 Å²	20	29.9 Å²	29.9	12%	0.121	16%	0.161	C	C	.	.	H	α-helix	trans	-62.3	-43.7	177.9	173.3	0	0	0	0	110.9	F632 A633 M638 A639 F640 L892	F632-V636 HydrophobicContact CD1-CG2 4.27Å; F632-V636 HydrophobicContact CE1-CG2 3.9Å; F632-V636 HydrophobicContact CE2-CG2 4.34Å; F632-V636 HydrophobicContact CZ-CG2 3.94Å; F632-V636 WeakPolarHBondContact O-CG2 3.22Å; F632-V636 PolarHBondContact O-N 2.88Å; A633-V636 PolarHBondContact O-N 3.26Å; V636-M638 VanDerWaalsContact C-N 3.32Å; V636-M638 PolarHBondContact O-N 3.48Å; V636-A639 PolarHBondContact O-N 2.91Å; V636-F640 HydrophobicContact CG1-CD2 3.86Å; V636-F640 HydrophobicContact CG1-CE2 3.67Å; V636-F640 WeakPolarHBondContact O-CD2 3.46Å; V636-F640 PolarHBondContact O-N 3.19Å; V636-F640 VanDerWaalsContact O-N 3.07Å; V636-L892 HydrophobicContact CG1-CB 4.08Å; V636-L892 WeakPolarHBondContact CG1-O 3.4Å; V636-L892 HydrophobicContact CG2-CB 4.48Å
637	S	92	Very high	89.8	Confident	5 Å²	5	31.5 Å²	31.5	4%	0.035	17%	0.172	C	C	.	.	H	α-helix	trans	-58.6	-42.6	173.4	-74.6	0	0	0	0	112.5	A633 M634 F635 A639 L641 A963 A966	A633-S637 PolarHBondContact O-N 3.38Å; A633-S637 PolarHBondContact O-OG 3.03Å; M634-S637 PolarHBondContact O-N 3.42Å; F635-S637 PolarHBondContact O-N 3.48Å; S637-A639 VanDerWaalsContact C-N 3.34Å; S637-L641 PolarHBondContact O-N 3.25Å; S637-L641 VanDerWaalsContact O-N 3.16Å; S637-A963 WeakPolarHBondContact O-CB 3.35Å; S637-A963 PolarHBondContact OG-O 3.02Å; S637-A966 VanDerWaalsContact OG-CB 3.32Å; S637-A966 WeakPolarHBondContact OG-CB 3.42Å
638	M	92.4	Very high	90.2	Very high	78 Å²	78	33.2 Å²	33.2	38%	0.384	18%	0.181	S	C	.	.	H	α-helix	trans	-65.4	-36.6	175.8	-76.5	-178.6	160.6	0	0	112.3	M634 F635 V636 L641 Y642 L1011	M634-M638 HydrophobicContact CE-CE 4.48Å; M634-M638 WeakPolarHBondContact O-CG 3.42Å; M634-M638 PolarHBondContact O-N 3.47Å; F635-M638 WeakPolarHBondContact O-CB 3.42Å; F635-M638 PolarHBondContact O-N 3.27Å; V636-M638 VanDerWaalsContact C-N 3.32Å; V636-M638 PolarHBondContact O-N 3.48Å; M638-L641 PolarHBondContact O-N 3.12Å; M638-Y642 VanDerWaalsContact O-CB 3.31Å; M638-Y642 WeakPolarHBondContact O-CB 3.43Å; M638-Y642 PolarHBondContact O-N 3.32Å; M638-L1011 HydrophobicContact CE-CD2 4.12Å; M638-L1011 HydrophobicContact SD-CD1 4.37Å; M638-L1011 HydrophobicContact SD-CD2 4.01Å; M638-L1011 HydrophobicContact SD-CG 4.32Å
639	A	89.9	Confident	90.5	Very high	20 Å²	20	39.5 Å²	39.5	17%	0.165	20%	0.204	C	C	.	.	H	α-helix	trans	-64.3	-47.3	177.5	0	0	0	0	0	111.8	F635 V636 S637 L641 Y642 D643 F1019	F635-A639 PolarHBondContact O-N 2.87Å; V636-A639 PolarHBondContact O-N 2.91Å; S637-A639 VanDerWaalsContact C-N 3.34Å; A639-L641 VanDerWaalsContact C-N 3.3Å; A639-L641 PolarHBondContact O-N 3.31Å; A639-Y642 PolarHBondContact O-N 3.14Å; A639-Y642 VanDerWaalsContact O-N 3.16Å; A639-D643 PolarHBondContact O-N 3.27Å; A639-F1019 HydrophobicContact CB-CE1 4.2Å; A639-F1019 HydrophobicContact CB-CZ 4.25Å
640	F	90.5	Very high	90.6	Very high	20 Å²	20	40.9 Å²	40.9	9%	0.088	22%	0.215	C	C	.	.	H	α-helix	trans	-61	-38.5	175.1	-81.5	-65.9	0	0	0	112.9	V636 A644 P893 F959 M962 A963	V636-F640 HydrophobicContact CG1-CD2 3.86Å; V636-F640 HydrophobicContact CG1-CE2 3.67Å; V636-F640 WeakPolarHBondContact O-CD2 3.46Å; V636-F640 PolarHBondContact O-N 3.19Å; V636-F640 VanDerWaalsContact O-N 3.07Å; F640-A644 WeakPolarHBondContact O-CB 3.22Å; F640-A644 PolarHBondContact O-N 3.42Å; F640-P893 HydrophobicContact CE2-CG 4.44Å; F640-F959 HydrophobicContact CB-CB 4.45Å; F640-F959 HydrophobicContact CD1-CB 4.13Å; F640-F959 AromaticContact CD1-CD1 3.77Å; F640-F959 HydrophobicContact CD1-CD1 3.77Å; F640-F959 HydrophobicContact CD1-CE1 4.35Å; F640-F959 AromaticContact CD1-CG 3.99Å; F640-F959 HydrophobicContact CD1-CG 3.99Å; F640-F959 AromaticContact CE1-CD1 3.93Å; F640-F959 HydrophobicContact CE1-CD1 3.93Å; F640-F959 HydrophobicContact CE1-CE1 4.12Å; F640-M962 HydrophobicContact CE1-CE 4.37Å; F640-A963 HydrophobicContact CB-CB 4.13Å
641	L	92.8	Very high	90.4	Very high	93 Å²	93	41.2 Å²	41.2	49%	0.487	22%	0.218	S	C	.	.	H	α-helix	trans	-67.2	-40.2	175.5	-176.1	62.1	0	0	0	111.8	S637 M638 A639 G645 I960 A963	S637-L641 PolarHBondContact O-N 3.25Å; S637-L641 VanDerWaalsContact O-N 3.16Å; M638-L641 PolarHBondContact O-N 3.12Å; A639-L641 VanDerWaalsContact C-N 3.3Å; A639-L641 PolarHBondContact O-N 3.31Å; L641-G645 PolarHBondContact O-N 3.46Å; L641-I960 HydrophobicContact CD1-CG1 4Å; L641-I960 HydrophobicContact CD1-CG2 4.39Å; L641-A963 HydrophobicContact CB-CB 4.38Å
642	Y	91.6	Very high	90.4	Very high	110 Å²	110	43.1 Å²	43.1	43%	0.431	23%	0.226	S	C	.	.	H	α-helix	trans	-65	-46.7	177.5	176.7	-94.2	0	0	0	111.6	M638 A639 G645 N646 F1019	M638-Y642 VanDerWaalsContact O-CB 3.31Å; M638-Y642 WeakPolarHBondContact O-CB 3.43Å; M638-Y642 PolarHBondContact O-N 3.32Å; A639-Y642 PolarHBondContact O-N 3.14Å; A639-Y642 VanDerWaalsContact O-N 3.16Å; Y642-G645 PolarHBondContact O-N 3.23Å; Y642-N646 HydrophobicContact CE1-CB 4.46Å; Y642-N646 VanDerWaalsContact O-CB 3.26Å; Y642-N646 WeakPolarHBondContact O-CB 3.19Å; Y642-N646 PolarHBondContact O-N 2.91Å; Y642-F1019 AromaticContact CD1-CD1 3.83Å; Y642-F1019 HydrophobicContact CD1-CD1 3.83Å; Y642-F1019 AromaticContact CD1-CE1 3.83Å; Y642-F1019 HydrophobicContact CD1-CE1 3.83Å; Y642-F1019 HydrophobicContact CE1-CD1 4.11Å; Y642-F1019 HydrophobicContact CG-CD1 4.05Å; Y642-F1019 AromaticContact CG-CE1 3.84Å; Y642-F1019 HydrophobicContact CG-CE1 3.84Å; Y642-F1019 HydrophobicContact CG-CZ 4.39Å
643	D	87.2	Confident	90.4	Very high	54 Å²	54	46.6 Å²	46.6	29%	0.289	24%	0.242	S	C	.	.	H	α-helix	trans	-61.3	-48	179.7	-71.2	-17.1	0	0	0	110.8	A639 G645 N646 D647	A639-D643 PolarHBondContact O-N 3.27Å; D643-G645 VanDerWaalsContact C-N 3.33Å; D643-G645 PolarHBondContact O-N 2.99Å; D643-N646 PolarHBondContact O-N 3.19Å; D643-D647 PolarHBondContact O-N 2.68Å
644	A	91.7	Very high	90	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.008	26%	0.258	C	S	.	.	H	α-helix	trans	-62.2	-39	176.5	0	0	0	0	0	112.9	F640 L648 N956 F959 I960	F640-A644 WeakPolarHBondContact O-CB 3.22Å; F640-A644 PolarHBondContact O-N 3.42Å; A644-L648 WeakPolarHBondContact O-CB 3.33Å; A644-L648 PolarHBondContact O-N 3.12Å; A644-N956 HydrophobicContact CB-CB 3.95Å; A644-F959 HydrophobicContact CB-CB 4.19Å; A644-I960 HydrophobicContact CB-CD1 4.06Å; A644-I960 HydrophobicContact CB-CG1 3.7Å
645	G	93	Very high	89.7	Confident	36 Å²	36	51.7 Å²	51.7	37%	0.371	26%	0.264	S	S	.	.	H	α-helix	trans	-70	-37	176.8	0	0	0	0	0	113.1	L641 Y642 D643 L648 Y649	L641-G645 PolarHBondContact O-N 3.46Å; Y642-G645 PolarHBondContact O-N 3.23Å; D643-G645 VanDerWaalsContact C-N 3.33Å; D643-G645 PolarHBondContact O-N 2.99Å; G645-L648 PolarHBondContact O-N 3.48Å; G645-Y649 WeakPolarHBondContact O-CB 3.48Å; G645-Y649 PolarHBondContact O-N 3.14Å
646	N	90.4	Very high	89.2	Confident	70 Å²	70	55.2 Å²	55.2	37%	0.374	28%	0.277	S	S	.	.	H	α-helix	trans	-68.2	-41.3	178.2	-177.5	68.7	0	0	0	111.4	Y642 D643 Y649 S650	Y642-N646 HydrophobicContact CE1-CB 4.46Å; Y642-N646 VanDerWaalsContact O-CB 3.26Å; Y642-N646 WeakPolarHBondContact O-CB 3.19Å; Y642-N646 PolarHBondContact O-N 2.91Å; D643-N646 PolarHBondContact O-N 3.19Å; N646-Y649 PolarHBondContact O-N 3.17Å; N646-S650 PolarHBondContact O-N 2.86Å; N646-S650 PolarHBondContact O-OG 3.43Å
647	D	87.7	Confident	88.5	Confident	65 Å²	65	59.4 Å²	59.4	35%	0.348	30%	0.295	S	S	.	.	H	α-helix	trans	-65.7	-38.3	175.1	-76.8	-2.3	0	0	0	112.5	D643 S650 T651 N956	D643-D647 PolarHBondContact O-N 2.68Å; D647-S650 WeakPolarHBondContact CA-OG 3.5Å; D647-S650 PolarHBondContact O-OG 2.7Å; D647-T651 WeakPolarHBondContact O-CB 3.31Å; D647-T651 PolarHBondContact O-N 3.3Å; D647-T651 PolarHBondContact O-OG1 3.24Å; D647-N956 WeakPolarHBondContact CB-ND2 3.39Å; D647-N956 PolarHBondContact OD2-ND2 3.11Å; D647-N956 PolarHBondContact OD2-OD1 3.46Å
648	L	91.6	Very high	87.2	Confident	36 Å²	36	62.3 Å²	62.3	19%	0.188	31%	0.314	C	S	.	.	H	α-helix	trans	-61.7	-48.8	171.6	178.1	66	0	0	0	110.4	A644 G645 T651 F652 Y747 L748 L751	A644-L648 WeakPolarHBondContact O-CB 3.33Å; A644-L648 PolarHBondContact O-N 3.12Å; G645-L648 PolarHBondContact O-N 3.48Å; L648-T651 PolarHBondContact O-N 3.07Å; L648-F652 HydrophobicContact CD1-CD2 3.84Å; L648-F652 HydrophobicContact CD1-CE2 3.6Å; L648-F652 HydrophobicContact CG-CD2 4.27Å; L648-F652 HydrophobicContact CG-CE2 4.35Å; L648-F652 WeakPolarHBondContact O-CD2 3.47Å; L648-F652 PolarHBondContact O-N 3.26Å; L648-Y747 HydrophobicContact CB-CE1 4.19Å; L648-Y747 HydrophobicContact CD1-CD1 3.52Å; L648-Y747 HydrophobicContact CD1-CE1 3.83Å; L648-L748 HydrophobicContact CD1-CB 4.42Å; L648-L748 HydrophobicContact CD1-CD1 4.02Å; L648-L748 HydrophobicContact CD2-CD1 3.95Å; L648-L751 HydrophobicContact CB-CD1 4.4Å; L648-L751 HydrophobicContact CD1-CD1 4.49Å
649	Y	92.2	Very high	85.5	Confident	144 Å²	144	67.5 Å²	67.5	57%	0.565	34%	0.335	S	S	*	.	H	α-helix	trans	-60.5	-47.3	179.3	175.4	-100.2	0	0	0	112.2	G645 N646 T651 F652 Q653	G645-Y649 WeakPolarHBondContact O-CB 3.48Å; G645-Y649 PolarHBondContact O-N 3.14Å; N646-Y649 PolarHBondContact O-N 3.17Å; Y649-T651 VanDerWaalsContact C-N 3.3Å; Y649-T651 PolarHBondContact O-N 3.37Å; Y649-F652 PolarHBondContact O-N 3.34Å; Y649-Q653 HydrophobicContact CD1-CG 4.22Å; Y649-Q653 HydrophobicContact CD2-CG 4.45Å; Y649-Q653 HydrophobicContact CE1-CG 3.74Å; Y649-Q653 HydrophobicContact CE2-CG 4Å; Y649-Q653 VanDerWaalsContact CE2-NE2 3.27Å; Y649-Q653 WeakPolarHBondContact O-CG 3.4Å; Y649-Q653 PolarHBondContact O-N 3.47Å; Y649-Q653 PolarHBondContact OH-NE2 2.83Å
650	S	87	Confident	83.7	Confident	40 Å²	40	73.2 Å²	73.2	28%	0.28	36%	0.362	S	S	.	.	H	α-helix	trans	-61.3	-40.3	178.2	62.7	0	0	0	0	111.6	N646 D647 F652 Q653 E654	N646-S650 PolarHBondContact O-N 2.86Å; N646-S650 PolarHBondContact O-OG 3.43Å; D647-S650 WeakPolarHBondContact CA-OG 3.5Å; D647-S650 PolarHBondContact O-OG 2.7Å; S650-F652 VanDerWaalsContact C-N 3.33Å; S650-F652 PolarHBondContact O-N 2.93Å; S650-Q653 PolarHBondContact O-N 2.93Å; S650-E654 WeakPolarHBondContact O-CB 3.09Å; S650-E654 WeakPolarHBondContact O-CG 3.49Å; S650-E654 PolarHBondContact O-N 3.07Å
651	T	86	Confident	81.5	Confident	19 Å²	19	76.8 Å²	76.8	12%	0.117	39%	0.389	C	S	.	.	H	α-helix	trans	-63.6	-38	177.1	-56.5	0	0	0	0	111.9	D647 L648 Y649 N655 Y747	D647-T651 WeakPolarHBondContact O-CB 3.31Å; D647-T651 PolarHBondContact O-N 3.3Å; D647-T651 PolarHBondContact O-OG1 3.24Å; L648-T651 PolarHBondContact O-N 3.07Å; Y649-T651 VanDerWaalsContact C-N 3.3Å; Y649-T651 PolarHBondContact O-N 3.37Å; T651-N655 WeakPolarHBondContact O-CB 3.39Å; T651-N655 PolarHBondContact O-N 2.89Å; T651-N655 VanDerWaalsContact O-N 3.08Å; T651-N655 PolarHBondContact O-ND2 3.45Å; T651-Y747 HydrophobicContact CG2-CD2 3.82Å; T651-Y747 HydrophobicContact CG2-CE2 4.31Å; T651-Y747 HydrophobicContact CG2-CG 3.96Å
652	F	90	Very high	78.9	Confident	43 Å²	43	76.3 Å²	76.3	19%	0.189	39%	0.39	C	S	.	.	H	α-helix	trans	-70.1	-39.3	174.9	-93.1	-101.6	0	0	0	112.5	L648 Y649 S650 Y656 H657 A744 L748	L648-F652 HydrophobicContact CD1-CD2 3.84Å; L648-F652 HydrophobicContact CD1-CE2 3.6Å; L648-F652 HydrophobicContact CG-CD2 4.27Å; L648-F652 HydrophobicContact CG-CE2 4.35Å; L648-F652 WeakPolarHBondContact O-CD2 3.47Å; L648-F652 PolarHBondContact O-N 3.26Å; Y649-F652 PolarHBondContact O-N 3.34Å; S650-F652 VanDerWaalsContact C-N 3.33Å; S650-F652 PolarHBondContact O-N 2.93Å; F652-Y656 HydrophobicContact CD1-CG 4.23Å; F652-Y656 WeakPolarHBondContact O-CA 3.43Å; F652-Y656 WeakPolarHBondContact O-CB 3.4Å; F652-Y656 PolarHBondContact O-N 2.87Å; F652-H657 PolarHBondContact O-N 3.31Å; F652-A744 HydrophobicContact CD1-CB 4.07Å; F652-A744 HydrophobicContact CD2-CB 3.96Å; F652-A744 HydrophobicContact CE1-CB 4.06Å; F652-A744 HydrophobicContact CE2-CB 3.94Å; F652-A744 VanDerWaalsContact CE2-O 3.26Å; F652-A744 WeakPolarHBondContact CE2-O 3.48Å; F652-A744 HydrophobicContact CG-CB 4.03Å; F652-A744 HydrophobicContact CZ-CB 3.99Å; F652-A744 WeakPolarHBondContact CZ-O 3.47Å; F652-L748 HydrophobicContact CE2-CB 4.11Å; F652-L748 HydrophobicContact CZ-CB 4.14Å; F652-L748 HydrophobicContact CZ-CD2 4.19Å
653	Q	87.3	Confident	76.4	Confident	78 Å²	78	78 Å²	78	36%	0.364	41%	0.407	S	S	.	.	H	α-helix	trans	-64.2	-41.9	175.6	-68.1	-58	-30.8	0	0	111.8	Y649 S650	Y649-Q653 HydrophobicContact CD1-CG 4.22Å; Y649-Q653 HydrophobicContact CD2-CG 4.45Å; Y649-Q653 HydrophobicContact CE1-CG 3.74Å; Y649-Q653 HydrophobicContact CE2-CG 4Å; Y649-Q653 VanDerWaalsContact CE2-NE2 3.27Å; Y649-Q653 WeakPolarHBondContact O-CG 3.4Å; Y649-Q653 PolarHBondContact O-N 3.47Å; Y649-Q653 PolarHBondContact OH-NE2 2.83Å; S650-Q653 PolarHBondContact O-N 2.93Å
654	E	82.7	Confident	73.9	Confident	107 Å²	107	83.9 Å²	83.9	50%	0.5	43%	0.427	S	S	.	.	H	α-helix	trans	-67.1	-42.7	179	-74.1	-179.8	-167.2	0	0	112.8	S650 K804	S650-E654 WeakPolarHBondContact O-CB 3.09Å; S650-E654 WeakPolarHBondContact O-CG 3.49Å; S650-E654 PolarHBondContact O-N 3.07Å; E654-K804 IonicContact OE2-NZ 2.82Å; E654-K804 PolarHBondContact OE2-NZ 3.49Å
655	N	83.8	Confident	71.3	Confident	28 Å²	28	88.3 Å²	88.3	15%	0.15	46%	0.457	C	S	.	.	H	α-helix	trans	-110.5	-17	-166.5	-57.9	-63.3	0	0	0	115.1	T651 C739 Q740 R741 V743 A744	T651-N655 WeakPolarHBondContact O-CB 3.39Å; T651-N655 PolarHBondContact O-N 2.89Å; T651-N655 VanDerWaalsContact O-N 3.08Å; T651-N655 PolarHBondContact O-ND2 3.45Å; N655-C739 VanDerWaalsContact C-SG 3.6Å; N655-C739 PolarHBondContact O-SG 3.28Å; N655-Q740 CarbonylContact O-C 3.45Å; N655-R741 PolarHBondContact O-N 3.3Å; N655-V743 HydrophobicContact CB-CB 4.27Å; N655-A744 HydrophobicContact CB-CB 4.32Å
656	Y	82.8	Confident	68.6	Low	93 Å²	93	94.1 Å²	94.1	37%	0.365	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-46	-177.2	-163.3	-90.2	0	0	0	112.4	F652 C658 R741	F652-Y656 HydrophobicContact CD1-CG 4.23Å; F652-Y656 WeakPolarHBondContact O-CA 3.43Å; F652-Y656 WeakPolarHBondContact O-CB 3.4Å; F652-Y656 PolarHBondContact O-N 2.87Å; Y656-C658 PolarHBondContact O-N 3.46Å; Y656-R741 HydrophobicContact CD2-CB 4.02Å; Y656-R741 HydrophobicContact CD2-CG 4.04Å; Y656-R741 HydrophobicContact CE2-CB 4.35Å; Y656-R741 HydrophobicContact CE2-CG 4.39Å
657	H	76	Confident	65.9	Low	107 Å²	107	96.6 Å²	96.6	50%	0.495	49%	0.491	S	S	.	.			trans	-92.5	56.5	-177.5	-66.4	-68.2	0	0	0	112.9	F652 K659	F652-H657 PolarHBondContact O-N 3.31Å; H657-K659 PolarHBondContact O-N 3.05Å; H657-K659 VanDerWaalsContact O-N 3.15Å
658	C	64.8	Low	63.3	Low	66 Å²	66	98.8 Å²	98.8	45%	0.446	51%	0.512	S	S	.	.			trans	-71.7	113.7	169.6	-58.4	0	0	0	0	109.7	Y656 L660 C739	Y656-C658 PolarHBondContact O-N 3.46Å; C658-L660 PolarHBondContact O-N 3.31Å; C658-C739 HydrophobicContact CB-CB 3.68Å; C658-C739 WeakPolarHBondContact CB-SG 3.32Å; C658-C739 PolarHBondContact N-SG 2.84Å; C658-C739 WeakPolarHBondContact SG-CA 3.4Å; C658-C739 WeakPolarHBondContact SG-CB 3.37Å; C658-C739 CovalentContact SG-SG 2.01Å; C658-C739 PolarHBondContact SG-SG 3.27Å
659	K	56.4	Low	60.3	Low	188 Å²	188	103.7 Å²	103.7	82%	0.817	54%	0.538	S	S	*	.			trans	-66.6	124.1	155.2	-70.5	-179.5	-179.4	177.2	0	106.3	H657 S661	H657-K659 PolarHBondContact O-N 3.05Å; H657-K659 VanDerWaalsContact O-N 3.15Å; K659-S661 PolarHBondContact O-N 3.05Å
660	L	51.6	Low	57.3	Low	139 Å²	139	104.7 Å²	104.7	73%	0.728	55%	0.548	S	S	*	.			trans	-64	81	173.8	-171.1	76.9	0	0	0	108.5	C658 T662	C658-L660 PolarHBondContact O-N 3.31Å; L660-T662 VanDerWaalsContact C-N 3.35Å; L660-T662 HydrophobicContact CG-CG2 4.47Å; L660-T662 PolarHBondContact O-N 3.38Å
661	S	44	Very low	54.5	Low	95 Å²	95	109.7 Å²	109.7	66%	0.664	58%	0.577	S	S	*	*			trans	-79.4	92.8	165.4	54.3	0	0	0	0	106.7	K659 N663	K659-S661 PolarHBondContact O-N 3.05Å; S661-N663 PolarHBondContact O-N 3.26Å
662	T	39.6	Very low	51.6	Low	83 Å²	83	115.3 Å²	115.3	51%	0.509	61%	0.605	S	S	.	*			trans	-64.7	72.5	169.3	14.3	0	0	0	0	109.8	L660 Y664	L660-T662 VanDerWaalsContact C-N 3.35Å; L660-T662 HydrophobicContact CG-CG2 4.47Å; L660-T662 PolarHBondContact O-N 3.38Å; T662-Y664 HydrophobicContact CG2-CD2 4.25Å; T662-Y664 HydrophobicContact CG2-CE2 3.49Å; T662-Y664 VanDerWaalsContact CG2-CE2 3.49Å; T662-Y664 PolarHBondContact O-N 3.01Å
663	N	38.2	Very low	48.5	Very low	146 Å²	146	121.2 Å²	121.2	78%	0.781	64%	0.639	S	S	*	*			trans	-89.8	89	160.9	-80.7	-8.6	0	0	0	107	S661 S665	S661-N663 PolarHBondContact O-N 3.26Å; N663-S665 PolarHBondContact O-N 3.07Å
664	Y	35	Very low	45.6	Very low	178 Å²	178	123.8 Å²	123.8	70%	0.698	65%	0.654	S	S	*	*			trans	-68.1	96.5	166.7	-67.7	-82.3	0	0	0	108.3	T662 L666	T662-Y664 HydrophobicContact CG2-CD2 4.25Å; T662-Y664 HydrophobicContact CG2-CE2 3.49Å; T662-Y664 VanDerWaalsContact CG2-CE2 3.49Å; T662-Y664 PolarHBondContact O-N 3.01Å; Y664-L666 PolarHBondContact O-N 3.22Å
665	S	37.8	Very low	42.9	Very low	94 Å²	94	128 Å²	128	66%	0.657	67%	0.673	S	S	*	*			trans	-83.3	100	159.7	57.4	0	0	0	0	107.7	N663 I667	N663-S665 PolarHBondContact O-N 3.07Å; S665-I667 VanDerWaalsContact C-N 3.28Å; S665-I667 PolarHBondContact O-N 2.95Å
666	L	35.3	Very low	40.2	Very low	158 Å²	158	130 Å²	130	83%	0.827	70%	0.701	S	S	*	*			trans	-64.9	93.1	164	-80.6	158.8	0	0	0	107.5	Y664 S668	Y664-L666 PolarHBondContact O-N 3.22Å; L666-S668 VanDerWaalsContact C-N 3.33Å; L666-S668 PolarHBondContact O-N 3.02Å; L666-S668 VanDerWaalsContact O-N 3.09Å
667	I	33.2	Very low	37.4	Very low	122 Å²	122	134.1 Å²	134.1	63%	0.626	72%	0.721	S	S	*	*			trans	-78.8	90	170.4	-58.5	173.7	0	0	0	106.4	S665 N669	S665-I667 VanDerWaalsContact C-N 3.28Å; S665-I667 PolarHBondContact O-N 2.95Å; I667-N669 VanDerWaalsContact C-N 3.29Å; I667-N669 HydrophobicContact CG2-CB 4.48Å; I667-N669 WeakPolarHBondContact CG2-OD1 3.26Å; I667-N669 PolarHBondContact O-N 3.25Å; I667-N669 VanDerWaalsContact O-N 3.16Å
668	S	33.2	Very low	35	Very low	111 Å²	111	136.4 Å²	136.4	78%	0.776	74%	0.737	S	S	*	*			trans	-78.3	85.8	161.8	58.4	0	0	0	0	108	L666 E670	L666-S668 VanDerWaalsContact C-N 3.33Å; L666-S668 PolarHBondContact O-N 3.02Å; L666-S668 VanDerWaalsContact O-N 3.09Å; S668-E670 PolarHBondContact O-N 3.21Å
669	N	29.2	Very low	33.1	Very low	139 Å²	139	139.5 Å²	139.5	74%	0.743	75%	0.748	S	S	*	*			trans	-73.5	99.3	163.3	-79.9	-11.8	0	0	0	107.5	I667	I667-N669 VanDerWaalsContact C-N 3.29Å; I667-N669 HydrophobicContact CG2-CB 4.48Å; I667-N669 WeakPolarHBondContact CG2-OD1 3.26Å; I667-N669 PolarHBondContact O-N 3.25Å; I667-N669 VanDerWaalsContact O-N 3.16Å
670	E	30.1	Very low	31.6	Very low	165 Å²	165	137.3 Å²	137.3	77%	0.771	75%	0.745	S	S	*	*			trans	-176.4	118.7	133.8	-102.8	170.1	-173.7	0	0	109.6	S668 L672	S668-E670 PolarHBondContact O-N 3.21Å; E670-L672 VanDerWaalsContact C-N 3.28Å; E670-L672 PolarHBondContact O-N 2.92Å
671	T	26.8	Very low	30.4	Very low	145 Å²	145	140 Å²	140	89%	0.89	75%	0.751	S	S	*	*			trans	-64.8	82.8	172	48	0	0	0	0	109.6	N673	T671-N673 PolarHBondContact O-N 3.37Å
672	L	25.8	Very low	29.5	Very low	137 Å²	137	142.4 Å²	142.4	72%	0.717	76%	0.755	S	S	*	*			trans	-84	94.7	169	-82.5	165.7	0	0	0	108.8	E670 I674	E670-L672 VanDerWaalsContact C-N 3.28Å; E670-L672 PolarHBondContact O-N 2.92Å; L672-I674 HydrophobicContact CB-CG1 4.42Å; L672-I674 PolarHBondContact O-N 3.47Å
673	N	25.7	Very low	28.8	Very low	167 Å²	167	146.7 Å²	146.7	89%	0.893	77%	0.769	S	S	*	*			trans	-56.2	87.7	159.2	-100.5	-14.3	0	0	0	108.6	T671	T671-N673 PolarHBondContact O-N 3.37Å
674	I	26.3	Very low	28.2	Very low	131 Å²	131	143.6 Å²	143.6	67%	0.672	76%	0.759	S	S	*	*			trans	-112.8	101.4	163	-59.2	-179.3	0	0	0	105.6	L672 G676	L672-I674 HydrophobicContact CB-CG1 4.42Å; L672-I674 PolarHBondContact O-N 3.47Å; I674-G676 PolarHBondContact O-N 3.02Å
675	Q	26.1	Very low	27.7	Very low	195 Å²	195	142.1 Å²	142.1	91%	0.911	76%	0.763	S	S	*	*	S	Bend	trans	-54	119	171.6	-70.7	179.7	-26.3	0	0	108.7
676	G	26.5	Very low	27.1	Very low	71 Å²	71	147.4 Å²	147.4	73%	0.732	77%	0.77	S	S	*	*	S	Bend	trans	93.4	63.2	164.6	0	0	0	0	0	116.2	I674	I674-G676 PolarHBondContact O-N 3.02Å
677	F	24.6	Very low	26.7	Very low	180 Å²	180	145.4 Å²	145.4	79%	0.789	77%	0.769	S	S	*	*			trans	-159.3	101.5	143.3	-143.3	-105.3	0	0	0	111.5	I679	F677-I679 HydrophobicContact CD1-CD1 4.17Å; F677-I679 HydrophobicContact CD1-CG1 3.66Å; F677-I679 HydrophobicContact CE1-CG1 4.16Å; F677-I679 PolarHBondContact O-N 3.43Å
678	D	24	Very low	26.3	Very low	155 Å²	155	147.8 Å²	147.8	83%	0.829	78%	0.775	S	S	*	*			trans	-72.9	105.9	170.5	-78.5	-38.7	0	0	0	109.5	N680	D678-N680 PolarHBondContact O-N 2.88Å
679	I	25.8	Very low	26	Very low	130 Å²	130	147.2 Å²	147.2	67%	0.667	77%	0.771	S	S	*	*			trans	-94.4	94.5	167.9	-56	-178.6	0	0	0	108	F677 F681	F677-I679 HydrophobicContact CD1-CD1 4.17Å; F677-I679 HydrophobicContact CD1-CG1 3.66Å; F677-I679 HydrophobicContact CE1-CG1 4.16Å; F677-I679 PolarHBondContact O-N 3.43Å; I679-F681 PolarHBondContact O-N 3.47Å; I679-F681 VanDerWaalsContact O-N 3.09Å
680	N	25.1	Very low	25.8	Very low	142 Å²	142	151.4 Å²	151.4	76%	0.759	78%	0.777	S	S	*	*			trans	-63.1	107.1	167.8	-79.9	-30.8	0	0	0	109.6	D678 I682	D678-N680 PolarHBondContact O-N 2.88Å; N680-I682 PolarHBondContact O-N 3.44Å
681	F	25.9	Very low	25.5	Very low	196 Å²	196	149.1 Å²	149.1	86%	0.86	77%	0.769	S	S	*	*			trans	-69.3	96.3	172.7	-125.1	-92.8	0	0	0	109.1	I679 H683	I679-F681 PolarHBondContact O-N 3.47Å; I679-F681 VanDerWaalsContact O-N 3.09Å; F681-H683 PolarHBondContact O-N 3.24Å
682	I	25.8	Very low	25.5	Very low	146 Å²	146	146.4 Å²	146.4	75%	0.749	76%	0.755	S	S	*	*			trans	-70.4	117.6	167.8	-63.8	176.4	0	0	0	107.2	N680 S684	N680-I682 PolarHBondContact O-N 3.44Å; I682-S684 VanDerWaalsContact C-N 3.29Å; I682-S684 PolarHBondContact O-N 3.02Å
683	H	24.4	Very low	25.6	Very low	172 Å²	172	146.2 Å²	146.2	80%	0.796	75%	0.754	S	S	*	*			trans	-62.7	80.3	177.6	-144.4	83.5	0	0	0	110.2	F681 N685	F681-H683 PolarHBondContact O-N 3.24Å; H683-N685 PolarHBondContact O-N 3.11Å
684	S	26.4	Very low	25.5	Very low	81 Å²	81	146.1 Å²	146.1	57%	0.566	75%	0.748	S	S	*	*			trans	-88	107.6	169.9	62	0	0	0	0	109.3	I682 Y686	I682-S684 VanDerWaalsContact C-N 3.29Å; I682-S684 PolarHBondContact O-N 3.02Å; S684-Y686 PolarHBondContact O-N 3.19Å
685	N	24.3	Very low	25.4	Very low	148 Å²	148	147 Å²	147	79%	0.791	75%	0.754	S	S	*	*			trans	-52.4	91	169.5	-73.6	-26.4	0	0	0	111.1	H683	H683-N685 PolarHBondContact O-N 3.11Å
686	Y	25.8	Very low	25.4	Very low	205 Å²	205	143 Å²	143	80%	0.804	75%	0.746	S	S	*	*			trans	-101.1	97.6	160.2	-84.4	-80.1	0	0	0	108.3	S684 F688	S684-Y686 PolarHBondContact O-N 3.19Å; Y686-F688 PolarHBondContact O-N 2.9Å
687	S	25.4	Very low	25.6	Very low	115 Å²	115	145.2 Å²	145.2	80%	0.804	75%	0.748	S	S	*	*			trans	-65.3	96.8	163.3	50.2	0	0	0	0	108.2	S689	S687-S689 PolarHBondContact O-N 3.45Å
688	F	25.9	Very low	25.6	Very low	172 Å²	172	145 Å²	145	75%	0.754	75%	0.749	S	S	*	*			trans	-70.8	103.8	177.8	-157.2	-102.8	0	0	0	109.1	Y686 R690 I691	Y686-F688 PolarHBondContact O-N 2.9Å; F688-R690 PolarHBondContact O-N 3.41Å; F688-R690 VanDerWaalsContact O-N 3.11Å; F688-I691 HydrophobicContact CE1-CD1 3.59Å; F688-I691 HydrophobicContact CE1-CG1 3.94Å; F688-I691 HydrophobicContact CZ-CD1 3.63Å; F688-I691 HydrophobicContact CZ-CG1 4.38Å
689	S	26.2	Very low	25.6	Very low	100 Å²	100	144.1 Å²	144.1	70%	0.699	74%	0.743	S	S	*	*			trans	-66.4	106.2	176.4	51.7	0	0	0	0	110.2	S687 I691	S687-S689 PolarHBondContact O-N 3.45Å; S689-I691 PolarHBondContact O-N 3.37Å; S689-I691 VanDerWaalsContact O-N 3.08Å
690	R	24.3	Very low	25.6	Very low	227 Å²	227	146.4 Å²	146.4	86%	0.857	76%	0.756	S	S	*	*			trans	22.4	77.2	144.4	-152.5	-170.5	-62	-160.5	3.6	114.6	F688 S692	F688-R690 PolarHBondContact O-N 3.41Å; F688-R690 VanDerWaalsContact O-N 3.11Å; R690-S692 PolarHBondContact O-N 2.84Å; R690-S692 VanDerWaalsContact O-N 3.13Å
691	I	24.2	Very low	25.6	Very low	117 Å²	117	143.7 Å²	143.7	60%	0.6	75%	0.748	S	S	*	*			trans	-77.2	98.1	163.3	-61.8	-179.7	0	0	0	106.6	F688 S689 I693	F688-I691 HydrophobicContact CE1-CD1 3.59Å; F688-I691 HydrophobicContact CE1-CG1 3.94Å; F688-I691 HydrophobicContact CZ-CD1 3.63Å; F688-I691 HydrophobicContact CZ-CG1 4.38Å; S689-I691 PolarHBondContact O-N 3.37Å; S689-I691 VanDerWaalsContact O-N 3.08Å; I691-I693 HydrophobicContact CG2-CG1 4.06Å; I691-I693 PolarHBondContact O-N 2.95Å; I691-I693 VanDerWaalsContact O-N 3.14Å
692	S	26.2	Very low	25.6	Very low	87 Å²	87	139.7 Å²	139.7	61%	0.608	74%	0.744	S	S	*	*			trans	-68	100.6	167.4	-58.9	0	0	0	0	108.1	R690 E694	R690-S692 PolarHBondContact O-N 2.84Å; R690-S692 VanDerWaalsContact O-N 3.13Å; S692-E694 PolarHBondContact O-N 3.01Å
693	I	28	Very low	25.5	Very low	134 Å²	134	141.8 Å²	141.8	69%	0.687	75%	0.748	S	S	*	*			trans	-79.5	76.8	166.9	-55.6	176.4	0	0	0	106.4	I691	I691-I693 HydrophobicContact CG2-CG1 4.06Å; I691-I693 PolarHBondContact O-N 2.95Å; I691-I693 VanDerWaalsContact O-N 3.14Å
694	E	24.7	Very low	25.4	Very low	165 Å²	165	139.2 Å²	139.2	77%	0.771	75%	0.749	S	S	*	*			trans	-77.2	125.8	158.9	-81.8	-179.5	160.4	0	0	107.2	S692	S692-E694 PolarHBondContact O-N 3.01Å
695	N	24.4	Very low	25.4	Very low	148 Å²	148	145.2 Å²	145.2	79%	0.791	77%	0.766	S	S	*	*			trans	79	77.2	171.1	-49.5	-27.6	0	0	0	116.8
696	C	25.6	Very low	25.6	Very low	111 Å²	111	143.4 Å²	143.4	75%	0.75	76%	0.762	S	S	*	*			trans	-99.1	106.4	145.8	-78.5	0	0	0	0	108.5
697	P	30.2	Very low	25.6	Very low	119 Å²	119	139.4 Å²	139.4	77%	0.773	76%	0.764	S	S	*	*			trans	-73.8	152.6	174.7	31.1	-31.5	0	0	0	110.8
698	E	24.2	Very low	25.5	Very low	176 Å²	176	141.7 Å²	141.7	82%	0.822	77%	0.766	S	S	*	*	S	Bend	trans	-42.6	138.1	175.6	-84	174.1	146.6	0	0	115.1
699	I	24.8	Very low	25.5	Very low	135 Å²	135	142.1 Å²	142.1	69%	0.692	78%	0.775	S	S	*	*			trans	72.7	104.6	150.2	-52.5	153.2	0	0	0	116.2
700	L	25.5	Very low	25.5	Very low	178 Å²	178	142.1 Å²	142.1	93%	0.932	78%	0.775	S	S	*	*			trans	-131.4	84.8	144.6	-153.8	77.9	0	0	0	109.7	S702	L700-S702 PolarHBondContact O-N 3.4Å
701	S	25.6	Very low	25.4	Very low	85 Å²	85	136.1 Å²	136.1	59%	0.594	77%	0.768	S	S	*	*			trans	-60	119.1	164.3	50.4	0	0	0	0	110.5
702	S	25.1	Very low	25.6	Very low	113 Å²	113	135.9 Å²	135.9	79%	0.79	78%	0.777	S	S	*	*			trans	28.6	94.8	143.9	62.8	0	0	0	0	117.3	L700	L700-S702 PolarHBondContact O-N 3.4Å
703	K	23.8	Very low	25.5	Very low	190 Å²	190	136.7 Å²	136.7	83%	0.826	78%	0.783	S	S	*	*			trans	-139.5	121.5	145.5	-78.7	-166.5	178.3	174.3	0	110.7	F705	K703-F705 PolarHBondContact O-N 3.23Å
704	S	24.1	Very low	25.5	Very low	117 Å²	117	135.6 Å²	135.6	82%	0.818	79%	0.787	S	S	*	*			trans	-45.6	122.4	170.3	47.7	0	0	0	0	112.5
705	F	24.4	Very low	25.5	Very low	208 Å²	208	132.5 Å²	132.5	91%	0.912	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-83.6	122	170.2	-93.5	-94.4	0	0	0	110.1	K703	K703-F705 PolarHBondContact O-N 3.23Å
706	P	29.3	Very low	25.6	Very low	109 Å²	109	132.4 Å²	132.4	71%	0.708	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-84.8	148.7	177.2	32.6	-30.7	0	0	0	112.3
707	S	25.5	Very low	25.6	Very low	122 Å²	122	132.4 Å²	132.4	85%	0.853	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-51.7	126.4	179.2	50.9	0	0	0	0	114.6
708	L	24.1	Very low	25.4	Very low	163 Å²	163	132.1 Å²	132.1	85%	0.853	79%	0.791	S	S	*	*			trans	-121.9	103.2	168	-99.3	151.6	0	0	0	108.4
709	L	25.8	Very low	25.5	Very low	180 Å²	180	131.1 Å²	131.1	94%	0.942	80%	0.797	S	S	*	*			trans	-141.3	103.2	168.5	-97.7	156.4	0	0	0	108
710	S	25.6	Very low	25.6	Very low	100 Å²	100	132.5 Å²	132.5	70%	0.699	81%	0.805	S	S	*	*			trans	-161.8	138.5	166.8	57.9	0	0	0	0	105.2
711	S	23.5	Very low	25.6	Very low	102 Å²	102	129.3 Å²	129.3	71%	0.713	80%	0.797	S	S	*	*			cis	176.9	161.5	-4.5	38.4	0	0	0	0	103.6
712	S	27.3	Very low	25.6	Very low	111 Å²	111	130.4 Å²	130.4	78%	0.776	81%	0.805	S	S	*	*			trans	77.4	139.1	162.3	77	0	0	0	0	117.8
713	S	24	Very low	25.6	Very low	104 Å²	104	132.2 Å²	132.2	73%	0.727	81%	0.805	S	S	*	*			cis	171.3	154.7	-29.9	38.5	0	0	0	0	106.3
714	S	27.8	Very low	26.1	Very low	112 Å²	112	127.8 Å²	127.8	78%	0.783	80%	0.796	S	S	*	*			trans	83.9	133.7	172.8	78.7	0	0	0	0	115.8
715	S	25.6	Very low	26.2	Very low	99 Å²	99	127.3 Å²	127.3	69%	0.692	79%	0.792	S	S	*	*			cis	-179.4	126.1	-9.5	39.5	0	0	0	0	106
716	T	26.3	Very low	26.4	Very low	147 Å²	147	124.8 Å²	124.8	90%	0.902	78%	0.783	S	S	*	*			trans	177.4	150.6	143.5	26.2	0	0	0	0	109.8
717	S	24.5	Very low	26.3	Very low	110 Å²	110	127.8 Å²	127.8	77%	0.769	79%	0.787	S	S	*	*			trans	-94.5	162	-145.8	-39	0	0	0	0	114.1
718	S	26.6	Very low	26.6	Very low	114 Å²	114	127.6 Å²	127.6	80%	0.797	78%	0.775	S	S	*	*			trans	74.7	90.2	160.4	66.5	0	0	0	0	118.5
719	T	26.9	Very low	26.9	Very low	155 Å²	155	126.4 Å²	126.4	95%	0.951	77%	0.77	S	S	*	*			trans	-150.6	144.9	130.9	30.3	0	0	0	0	109.8
720	L	25.8	Very low	27.2	Very low	164 Å²	164	127.5 Å²	127.5	86%	0.859	76%	0.762	S	S	*	*			trans	-79.5	138.4	-159.6	-170.6	68.7	0	0	0	112.4
721	S	26.9	Very low	27.4	Very low	110 Å²	110	129.5 Å²	129.5	77%	0.769	77%	0.765	S	S	*	*			trans	56.7	90.8	157.2	60.7	0	0	0	0	118.6
722	S	25.9	Very low	27.9	Very low	109 Å²	109	130.9 Å²	130.9	76%	0.762	76%	0.762	S	S	*	*			trans	-94.5	128.4	159.8	51.6	0	0	0	0	111
723	L	24.8	Very low	28.2	Very low	151 Å²	151	131.1 Å²	131.1	79%	0.791	76%	0.76	S	S	*	*				157.2	149.3	129	-109.9	69.8	0	0	0	110.5
724	P	33.4	Very low	28.8	Very low	97 Å²	97	131.7 Å²	131.7	63%	0.63	75%	0.753	S	S	*	*			cis	-123.1	130.4	5.2	32.7	-13.9	0	0	0	114	Q726	P724-Q726 VanDerWaalsContact C-N 3.29Å; P724-Q726 PolarHBondContact O-N 3.25Å
725	S	27	Very low	29.4	Very low	106 Å²	106	133.4 Å²	133.4	74%	0.741	75%	0.752	S	S	*	*			trans	-63.3	87.9	164	46.6	0	0	0	0	109.7	H727	S725-H727 PolarHBondContact O-N 2.68Å
726	Q	27.6	Very low	30.1	Very low	155 Å²	155	135.5 Å²	135.5	72%	0.724	75%	0.751	S	S	*	*			trans	-70.9	105.4	162.4	-68.1	-175.3	-6.4	0	0	106.9	P724 I728	P724-Q726 VanDerWaalsContact C-N 3.29Å; P724-Q726 PolarHBondContact O-N 3.25Å; Q726-I728 HydrophobicContact CB-CG1 4.47Å; Q726-I728 PolarHBondContact O-N 3.41Å
727	H	26.8	Very low	31.3	Very low	173 Å²	173	134 Å²	134	80%	0.801	75%	0.747	S	S	*	*			trans	-60.3	89.7	163.5	-89.8	-86.8	0	0	0	107.8	S725 N729	S725-H727 PolarHBondContact O-N 2.68Å; H727-N729 PolarHBondContact O-N 3.24Å
728	I	33.4	Very low	32.9	Very low	117 Å²	117	130.8 Å²	130.8	60%	0.6	73%	0.731	S	S	*	*			trans	-72	98.8	171.8	-59.9	173.5	0	0	0	106	Q726 R730	Q726-I728 HydrophobicContact CB-CG1 4.47Å; Q726-I728 PolarHBondContact O-N 3.41Å; I728-R730 HydrophobicContact CG2-CG 3.78Å; I728-R730 PolarHBondContact O-N 3.35Å
729	N	29	Very low	35.1	Very low	138 Å²	138	127.1 Å²	127.1	74%	0.738	70%	0.704	S	S	*	*			trans	-60.2	88.3	163.3	-70.6	-26.9	0	0	0	107.8	H727 N731	H727-N729 PolarHBondContact O-N 3.24Å; N729-N731 PolarHBondContact O-N 3.22Å
730	R	32.2	Very low	37.6	Very low	204 Å²	204	124 Å²	124	77%	0.77	68%	0.679	S	S	*	*			trans	-73.1	93.7	174.7	-73.2	-174.9	176.4	147.5	-1.4	108.2	I728 I732	I728-R730 HydrophobicContact CG2-CG 3.78Å; I728-R730 PolarHBondContact O-N 3.35Å; R730-I732 VanDerWaalsContact C-N 3.27Å; R730-I732 PolarHBondContact O-N 3Å
731	N	29.6	Very low	40.4	Very low	142 Å²	142	123 Å²	123	76%	0.759	66%	0.664	S	S	*	*			trans	-69.4	89.1	166.4	-71.2	-10.4	0	0	0	108.1	N729 T733	N729-N731 PolarHBondContact O-N 3.22Å; N731-T733 PolarHBondContact O-N 3.44Å
732	I	35.4	Very low	43.3	Very low	130 Å²	130	121.9 Å²	121.9	67%	0.667	65%	0.647	S	S	*	*			trans	-70.3	97.6	169.7	-60.2	173	0	0	0	106.7	R730 I734	R730-I732 VanDerWaalsContact C-N 3.27Å; R730-I732 PolarHBondContact O-N 3Å; I732-I734 HydrophobicContact CG2-CG1 4.1Å; I732-I734 PolarHBondContact O-N 2.96Å
733	T	31.9	Very low	46.3	Very low	117 Å²	117	117.1 Å²	117.1	72%	0.718	61%	0.613	S	S	*	*			trans	-80.9	96.3	170.3	45.2	0	0	0	0	108.5	N731 I735	N731-T733 PolarHBondContact O-N 3.44Å; T733-I735 PolarHBondContact O-N 3.34Å
734	I	37	Very low	49.4	Very low	116 Å²	116	110 Å²	110	60%	0.595	58%	0.575	S	S	*	*			trans	-66.8	101.4	167.9	-57.1	174.5	0	0	0	106.1	I732 Q736	I732-I734 HydrophobicContact CG2-CG1 4.1Å; I732-I734 PolarHBondContact O-N 2.96Å; I734-Q736 PolarHBondContact O-N 2.98Å
735	I	40.5	Very low	52.2	Low	148 Å²	148	109.6 Å²	109.6	76%	0.759	57%	0.568	S	S	*	*			trans	-72	82.6	168.8	-54.9	175.2	0	0	0	106.2	T733 S737	T733-I735 PolarHBondContact O-N 3.34Å; I735-S737 PolarHBondContact O-N 3.1Å; I735-S737 VanDerWaalsContact O-N 3.12Å
736	Q	41.5	Very low	55.3	Low	143 Å²	143	105 Å²	105	67%	0.668	54%	0.535	S	S	*	.			trans	-67.4	107.4	164	-172.2	155	-7.2	0	0	105.8	I734 G738	I734-Q736 PolarHBondContact O-N 2.98Å; Q736-G738 PolarHBondContact O-N 3.46Å
737	S	51.8	Low	58.4	Low	116 Å²	116	98.2 Å²	98.2	81%	0.811	50%	0.503	S	S	*	.			trans	-63.5	75.1	160	36.7	0	0	0	0	107.4	I735	I735-S737 PolarHBondContact O-N 3.1Å; I735-S737 VanDerWaalsContact O-N 3.12Å
738	G	57.7	Low	61.6	Low	42 Å²	42	92.6 Å²	92.6	43%	0.433	48%	0.478	S	S	.	.			trans	-62.9	137.7	-178.5	0	0	0	0	0	109.6	Q736 Q740	Q736-G738 PolarHBondContact O-N 3.46Å; G738-Q740 PolarHBondContact O-N 2.89Å; G738-Q740 VanDerWaalsContact O-N 3.11Å
739	C	71.1	Confident	64.5	Low	36 Å²	36	90.7 Å²	90.7	24%	0.243	47%	0.472	C	S	.	.			trans	-60.2	111.4	172.8	-140.4	0	0	0	0	109.4	N655 C658 R741	N655-C739 VanDerWaalsContact C-SG 3.6Å; N655-C739 PolarHBondContact O-SG 3.28Å; C658-C739 HydrophobicContact CB-CB 3.68Å; C658-C739 WeakPolarHBondContact CB-SG 3.32Å; C658-C739 PolarHBondContact N-SG 2.84Å; C658-C739 WeakPolarHBondContact SG-CA 3.4Å; C658-C739 WeakPolarHBondContact SG-CB 3.37Å; C658-C739 CovalentContact SG-SG 2.01Å; C658-C739 PolarHBondContact SG-SG 3.27Å; C739-R741 VanDerWaalsContact C-N 3.3Å; C739-R741 PolarHBondContact O-N 3.35Å
740	Q	79.8	Confident	67.6	Low	91 Å²	91	84.1 Å²	84.1	43%	0.425	44%	0.437	S	S	.	.			trans	-82.2	73.6	-179	-63.8	-170.6	-50.9	0	0	110.7	N655 G738 E742 V743	N655-Q740 CarbonylContact O-C 3.45Å; G738-Q740 PolarHBondContact O-N 2.89Å; G738-Q740 VanDerWaalsContact O-N 3.11Å; Q740-E742 PolarHBondContact O-N 2.9Å; Q740-E742 VanDerWaalsContact O-N 3.16Å; Q740-V743 HydrophobicContact CB-CB 4.46Å; Q740-V743 HydrophobicContact CB-CG2 3.74Å; Q740-V743 WeakPolarHBondContact O-CB 3Å; Q740-V743 PolarHBondContact O-N 3.44Å
741	R	85.2	Confident	70.6	Confident	143 Å²	143	74.5 Å²	74.5	54%	0.54	40%	0.401	S	S	.	.	H	α-helix	trans	-58.1	-31.6	-176.1	-64.2	-177.7	179.8	173.6	1.9	112.4	N655 Y656 C739 V743 A744 L745	N655-R741 PolarHBondContact O-N 3.3Å; Y656-R741 HydrophobicContact CD2-CB 4.02Å; Y656-R741 HydrophobicContact CD2-CG 4.04Å; Y656-R741 HydrophobicContact CE2-CB 4.35Å; Y656-R741 HydrophobicContact CE2-CG 4.39Å; C739-R741 VanDerWaalsContact C-N 3.3Å; C739-R741 PolarHBondContact O-N 3.35Å; R741-V743 PolarHBondContact O-N 2.88Å; R741-A744 PolarHBondContact O-N 3.35Å; R741-L745 PolarHBondContact O-N 3.18Å
742	E	88.8	Confident	73.8	Confident	86 Å²	86	72.3 Å²	72.3	40%	0.402	39%	0.389	S	S	.	.	H	α-helix	trans	-55.9	-34.1	175	59	-82.5	-171.3	0	0	113	Q740 L745 V746 I801	Q740-E742 PolarHBondContact O-N 2.9Å; Q740-E742 VanDerWaalsContact O-N 3.16Å; E742-L745 PolarHBondContact O-N 2.95Å; E742-V746 WeakPolarHBondContact O-CB 3.24Å; E742-V746 WeakPolarHBondContact O-CG2 3.03Å; E742-V746 PolarHBondContact O-N 2.89Å; E742-I801 HydrophobicContact CB-CD1 4.16Å; E742-I801 HydrophobicContact CG-CD1 4.38Å; E742-I801 HydrophobicContact CG-CG1 4.28Å; E742-I801 HydrophobicContact CG-CG2 4.31Å
743	V	88.6	Confident	76.7	Confident	9 Å²	9	66.9 Å²	66.9	6%	0.055	37%	0.365	C	S	.	.	H	α-helix	trans	-62.7	-47.3	177.7	174.1	0	0	0	0	110.6	N655 Q740 R741 L745 Y747 I801 L803	N655-V743 HydrophobicContact CB-CB 4.27Å; Q740-V743 HydrophobicContact CB-CB 4.46Å; Q740-V743 HydrophobicContact CB-CG2 3.74Å; Q740-V743 WeakPolarHBondContact O-CB 3Å; Q740-V743 PolarHBondContact O-N 3.44Å; R741-V743 PolarHBondContact O-N 2.88Å; V743-L745 PolarHBondContact O-N 2.89Å; V743-Y747 VanDerWaalsContact O-CB 3.24Å; V743-Y747 WeakPolarHBondContact O-CB 3.47Å; V743-Y747 PolarHBondContact O-N 3.47Å; V743-I801 HydrophobicContact CB-CG2 4.43Å; V743-I801 HydrophobicContact CG2-CG2 3.78Å; V743-L803 HydrophobicContact CG1-CD2 4.22Å
744	A	89.1	Confident	79.8	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-65.5	-39.3	179.4	0	0	0	0	0	112.1	F652 N655 R741 Y747 L748	F652-A744 HydrophobicContact CD1-CB 4.07Å; F652-A744 HydrophobicContact CD2-CB 3.96Å; F652-A744 HydrophobicContact CE1-CB 4.06Å; F652-A744 HydrophobicContact CE2-CB 3.94Å; F652-A744 VanDerWaalsContact CE2-O 3.26Å; F652-A744 WeakPolarHBondContact CE2-O 3.48Å; F652-A744 HydrophobicContact CG-CB 4.03Å; F652-A744 HydrophobicContact CZ-CB 3.99Å; F652-A744 WeakPolarHBondContact CZ-O 3.47Å; N655-A744 HydrophobicContact CB-CB 4.32Å; R741-A744 PolarHBondContact O-N 3.35Å; A744-Y747 WeakPolarHBondContact O-CB 3.44Å; A744-Y747 PolarHBondContact O-N 2.97Å; A744-L748 PolarHBondContact O-N 3.4Å
745	L	91.9	Very high	82.6	Confident	90 Å²	90	56.6 Å²	56.6	47%	0.471	31%	0.307	S	S	.	.	H	α-helix	trans	-68.4	-45.7	178.4	-67.3	174.9	0	0	0	112	R741 E742 V743 Y747 L748 V749	R741-L745 PolarHBondContact O-N 3.18Å; E742-L745 PolarHBondContact O-N 2.95Å; V743-L745 PolarHBondContact O-N 2.89Å; L745-Y747 VanDerWaalsContact C-N 3.3Å; L745-Y747 PolarHBondContact O-N 3.46Å; L745-L748 PolarHBondContact O-N 3.26Å; L745-V749 WeakPolarHBondContact O-CG2 3.35Å; L745-V749 PolarHBondContact O-N 3.39Å
746	V	92.3	Very high	85.3	Confident	9 Å²	9	58 Å²	58	6%	0.055	30%	0.303	C	S	.	.	H	α-helix	trans	-62.7	-40.6	175.5	169.8	0	0	0	0	110.9	E742 L748 V749 L750 F798 I801 L803	E742-V746 WeakPolarHBondContact O-CB 3.24Å; E742-V746 WeakPolarHBondContact O-CG2 3.03Å; E742-V746 PolarHBondContact O-N 2.89Å; V746-L748 VanDerWaalsContact C-N 3.32Å; V746-L748 PolarHBondContact O-N 3.5Å; V746-V749 PolarHBondContact O-N 3.16Å; V746-L750 HydrophobicContact CG1-CD1 3.77Å; V746-L750 HydrophobicContact CG1-CG 4.04Å; V746-L750 WeakPolarHBondContact O-CB 3.32Å; V746-L750 VanDerWaalsContact O-CG 3.32Å; V746-L750 WeakPolarHBondContact O-CG 3.34Å; V746-L750 PolarHBondContact O-N 3.02Å; V746-F798 HydrophobicContact CG1-CB 3.95Å; V746-F798 HydrophobicContact CG1-CD1 4.43Å; V746-F798 HydrophobicContact CG1-CD2 4.11Å; V746-F798 HydrophobicContact CG1-CG 3.92Å; V746-F798 HydrophobicContact CG2-CB 4.45Å; V746-F798 HydrophobicContact CG2-CD1 3.68Å; V746-F798 HydrophobicContact CG2-CE1 4Å; V746-F798 HydrophobicContact CG2-CG 4.02Å; V746-I801 HydrophobicContact CG2-CD1 3.45Å; V746-I801 VanDerWaalsContact CG2-CD1 3.45Å; V746-I801 HydrophobicContact CG2-CG2 4.46Å; V746-L803 HydrophobicContact CG1-CD1 4.24Å; V746-L803 HydrophobicContact CG1-CD2 4.42Å
747	Y	92.6	Very high	87.9	Confident	13 Å²	13	53 Å²	53	5%	0.051	28%	0.28	C	S	.	.	H	α-helix	trans	-56	-48.2	174.9	-168.2	-75.5	0	0	0	111.6	L648 T651 V743 A744 L745 L750 L751 P953 N956	L648-Y747 HydrophobicContact CB-CE1 4.19Å; L648-Y747 HydrophobicContact CD1-CD1 3.52Å; L648-Y747 HydrophobicContact CD1-CE1 3.83Å; T651-Y747 HydrophobicContact CG2-CD2 3.82Å; T651-Y747 HydrophobicContact CG2-CE2 4.31Å; T651-Y747 HydrophobicContact CG2-CG 3.96Å; V743-Y747 VanDerWaalsContact O-CB 3.24Å; V743-Y747 WeakPolarHBondContact O-CB 3.47Å; V743-Y747 PolarHBondContact O-N 3.47Å; A744-Y747 WeakPolarHBondContact O-CB 3.44Å; A744-Y747 PolarHBondContact O-N 2.97Å; L745-Y747 VanDerWaalsContact C-N 3.3Å; L745-Y747 PolarHBondContact O-N 3.46Å; Y747-L750 PolarHBondContact O-N 3.01Å; Y747-L751 HydrophobicContact CE1-CD1 4Å; Y747-L751 VanDerWaalsContact O-CB 3.29Å; Y747-L751 WeakPolarHBondContact O-CB 3.26Å; Y747-L751 PolarHBondContact O-N 2.8Å; Y747-P953 HydrophobicContact CD1-CB 3.9Å; Y747-P953 HydrophobicContact CD2-CB 3.71Å; Y747-P953 HydrophobicContact CD2-CG 3.85Å; Y747-P953 HydrophobicContact CE1-CB 4.05Å; Y747-P953 HydrophobicContact CE2-CB 3.88Å; Y747-P953 HydrophobicContact CE2-CG 4.2Å; Y747-P953 HydrophobicContact CG-CB 3.73Å; Y747-P953 HydrophobicContact CG-CG 4.21Å; Y747-P953 VanDerWaalsContact O-CB 3.31Å; Y747-P953 WeakPolarHBondContact O-CB 3.39Å; Y747-N956 PolarHBondContact OH-ND2 3.1Å
748	L	94.5	Very high	90	Very high	54 Å²	54	47.5 Å²	47.5	28%	0.283	24%	0.242	S	C	.	.	H	α-helix	trans	-61.6	-44.8	177.4	-176.6	68.2	0	0	0	112	L648 F652 A744 L745 V746 L751 L752	L648-L748 HydrophobicContact CD1-CB 4.42Å; L648-L748 HydrophobicContact CD1-CD1 4.02Å; L648-L748 HydrophobicContact CD2-CD1 3.95Å; F652-L748 HydrophobicContact CE2-CB 4.11Å; F652-L748 HydrophobicContact CZ-CB 4.14Å; F652-L748 HydrophobicContact CZ-CD2 4.19Å; A744-L748 PolarHBondContact O-N 3.4Å; L745-L748 PolarHBondContact O-N 3.26Å; V746-L748 VanDerWaalsContact C-N 3.32Å; V746-L748 PolarHBondContact O-N 3.5Å; L748-L751 PolarHBondContact O-N 3.21Å; L748-L752 HydrophobicContact CD1-CD1 3.81Å; L748-L752 HydrophobicContact CD1-CG 4.08Å; L748-L752 HydrophobicContact CG-CD1 3.94Å; L748-L752 HydrophobicContact CG-CG 4.44Å; L748-L752 WeakPolarHBondContact O-CB 3.37Å; L748-L752 WeakPolarHBondContact O-CG 3.43Å; L748-L752 PolarHBondContact O-N 3.26Å
749	V	94.7	Very high	91.7	Very high	78 Å²	78	47.1 Å²	47.1	47%	0.473	23%	0.23	S	C	.	.	H	α-helix	trans	-63	-45	179.5	170.4	0	0	0	0	111.3	L745 V746 G753	L745-V749 WeakPolarHBondContact O-CG2 3.35Å; L745-V749 PolarHBondContact O-N 3.39Å; V746-V749 PolarHBondContact O-N 3.16Å; V749-G753 WeakPolarHBondContact O-CA 3.41Å; V749-G753 PolarHBondContact O-N 3.29Å
750	L	94.4	Very high	92.7	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66.3	-42.2	179.6	-68.7	-179.9	0	0	0	111.8	V746 Y747 T754 M790 V793 F798 L803 P951 P953 V954	V746-L750 HydrophobicContact CG1-CD1 3.77Å; V746-L750 HydrophobicContact CG1-CG 4.04Å; V746-L750 WeakPolarHBondContact O-CB 3.32Å; V746-L750 VanDerWaalsContact O-CG 3.32Å; V746-L750 WeakPolarHBondContact O-CG 3.34Å; V746-L750 PolarHBondContact O-N 3.02Å; Y747-L750 PolarHBondContact O-N 3.01Å; L750-T754 WeakPolarHBondContact O-CB 3.26Å; L750-T754 PolarHBondContact O-N 2.94Å; L750-T754 PolarHBondContact O-OG1 3.46Å; L750-M790 HydrophobicContact CB-CE 4.44Å; L750-M790 HydrophobicContact CD2-CE 3.6Å; L750-V793 HydrophobicContact CD2-CG1 4.07Å; L750-F798 HydrophobicContact CD2-CD2 4.41Å; L750-L803 HydrophobicContact CD1-CD1 3.71Å; L750-P951 HydrophobicContact CD1-CB 4.33Å; L750-P951 HydrophobicContact CD1-CG 3.91Å; L750-P953 HydrophobicContact CB-CB 3.83Å; L750-P953 HydrophobicContact CB-CG 3.83Å; L750-P953 HydrophobicContact CD1-CG 3.72Å; L750-P953 HydrophobicContact CG-CG 4.42Å; L750-V954 HydrophobicContact CB-CG2 4.43Å
751	L	95.3	Very high	93.3	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-63.3	-55.4	177.2	178.4	158.2	0	0	0	111.4	L648 Y747 L748 G753 T754 V755 P953 N956 I960	L648-L751 HydrophobicContact CB-CD1 4.4Å; L648-L751 HydrophobicContact CD1-CD1 4.49Å; Y747-L751 HydrophobicContact CE1-CD1 4Å; Y747-L751 VanDerWaalsContact O-CB 3.29Å; Y747-L751 WeakPolarHBondContact O-CB 3.26Å; Y747-L751 PolarHBondContact O-N 2.8Å; L748-L751 PolarHBondContact O-N 3.21Å; L751-G753 VanDerWaalsContact C-N 3.34Å; L751-G753 PolarHBondContact O-N 3.02Å; L751-T754 PolarHBondContact O-N 2.73Å; L751-V755 WeakPolarHBondContact O-CG2 3.48Å; L751-V755 PolarHBondContact O-N 2.74Å; L751-P953 WeakPolarHBondContact CA-O 3.18Å; L751-P953 HydrophobicContact CB-CB 4.32Å; L751-N956 HydrophobicContact CD1-CB 3.82Å; L751-I960 HydrophobicContact CD1-CD1 4.28Å; L751-I960 HydrophobicContact CD2-CD1 3.59Å; L751-I960 HydrophobicContact CG-CD1 4.14Å
752	L	96.5	Very high	93.5	Very high	96 Å²	96	41.1 Å²	41.1	50%	0.503	21%	0.208	S	C	.	.	H	α-helix	trans	-66.9	-37	-178.7	-69	-179.8	0	0	0	111.8	L748 T754 V755 W756	L748-L752 HydrophobicContact CD1-CD1 3.81Å; L748-L752 HydrophobicContact CD1-CG 4.08Å; L748-L752 HydrophobicContact CG-CD1 3.94Å; L748-L752 HydrophobicContact CG-CG 4.44Å; L748-L752 WeakPolarHBondContact O-CB 3.37Å; L748-L752 WeakPolarHBondContact O-CG 3.43Å; L748-L752 PolarHBondContact O-N 3.26Å; L752-T754 VanDerWaalsContact C-N 3.34Å; L752-T754 PolarHBondContact O-N 3.01Å; L752-V755 PolarHBondContact O-N 3.21Å; L752-W756 WeakPolarHBondContact O-CB 3.43Å; L752-W756 PolarHBondContact O-N 3.3Å
753	G	96.6	Very high	93.4	Very high	16 Å²	16	39.7 Å²	39.7	17%	0.165	20%	0.203	C	C	.	.	H	α-helix	trans	-62.2	-40.6	175.7	0	0	0	0	0	112.2	V749 L751 W756 I757	V749-G753 WeakPolarHBondContact O-CA 3.41Å; V749-G753 PolarHBondContact O-N 3.29Å; L751-G753 VanDerWaalsContact C-N 3.34Å; L751-G753 PolarHBondContact O-N 3.02Å; G753-W756 PolarHBondContact O-N 3.2Å; G753-I757 WeakPolarHBondContact O-CB 3.5Å; G753-I757 VanDerWaalsContact O-CG1 3.3Å; G753-I757 WeakPolarHBondContact O-CG1 3.43Å; G753-I757 PolarHBondContact O-N 2.96Å
754	T	96	Very high	93.3	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	21%	0.21	C	C	.	.	H	α-helix	trans	-63.1	-47.3	176.7	-55.7	0	0	0	0	110.9	L750 L751 L752 A758 A786 M790 V954	L750-T754 WeakPolarHBondContact O-CB 3.26Å; L750-T754 PolarHBondContact O-N 2.94Å; L750-T754 PolarHBondContact O-OG1 3.46Å; L751-T754 PolarHBondContact O-N 2.73Å; L752-T754 VanDerWaalsContact C-N 3.34Å; L752-T754 PolarHBondContact O-N 3.01Å; T754-A758 VanDerWaalsContact O-CB 3.28Å; T754-A758 WeakPolarHBondContact O-CB 3.5Å; T754-A758 PolarHBondContact O-N 3.05Å; T754-A786 HydrophobicContact CG2-CB 4.4Å; T754-M790 WeakPolarHBondContact OG1-CB 3.37Å; T754-M790 WeakPolarHBondContact OG1-CG 3.26Å; T754-V954 HydrophobicContact CG2-CG1 4.11Å
755	V	96.4	Very high	92.9	Very high	15 Å²	15	43.3 Å²	43.3	9%	0.091	22%	0.222	C	C	.	.	H	α-helix	trans	-61.8	-46.3	177.2	176.4	0	0	0	0	110.9	L751 L752 A758 L759 G957 I960 I964	L751-V755 WeakPolarHBondContact O-CG2 3.48Å; L751-V755 PolarHBondContact O-N 2.74Å; L752-V755 PolarHBondContact O-N 3.21Å; V755-A758 PolarHBondContact O-N 2.91Å; V755-L759 HydrophobicContact CG1-CD1 3.66Å; V755-L759 HydrophobicContact CG1-CG 4.24Å; V755-L759 WeakPolarHBondContact O-CB 3.41Å; V755-L759 VanDerWaalsContact O-CG 3.3Å; V755-L759 WeakPolarHBondContact O-CG 3.3Å; V755-L759 PolarHBondContact O-N 2.78Å; V755-G957 VanDerWaalsContact CG2-O 3.29Å; V755-G957 WeakPolarHBondContact CG2-O 3.33Å; V755-I960 HydrophobicContact CG1-CG2 4.03Å; V755-I960 HydrophobicContact CG2-CB 3.7Å; V755-I960 HydrophobicContact CG2-CD1 4.37Å; V755-I960 HydrophobicContact CG2-CG2 3.65Å; V755-I964 HydrophobicContact CG1-CD1 4.27Å
756	W	96.7	Very high	92.3	Very high	178 Å²	178	45.5 Å²	45.5	67%	0.674	23%	0.228	S	C	*	.	H	α-helix	trans	-62.6	-48.7	-177.7	-177.5	78.6	0	0	0	111.5	L752 G753 N760	L752-W756 WeakPolarHBondContact O-CB 3.43Å; L752-W756 PolarHBondContact O-N 3.3Å; G753-W756 PolarHBondContact O-N 3.2Å; W756-N760 VanDerWaalsContact CD1-ND2 3.26Å; W756-N760 VanDerWaalsContact CD2-ND2 3.3Å; W756-N760 PolarHBondContact NE1-ND2 3.36Å; W756-N760 WeakPolarHBondContact O-CB 3.42Å; W756-N760 PolarHBondContact O-N 2.82Å; W756-N760 PolarHBondContact O-ND2 3.48Å
757	I	96.6	Very high	91.9	Very high	38 Å²	38	46.9 Å²	46.9	20%	0.195	24%	0.237	C	C	.	.	H	α-helix	trans	-61.6	-48.8	177.6	-66	173.4	0	0	0	110.1	G753 L759 N760 L761 A786 S789 M790	G753-I757 WeakPolarHBondContact O-CB 3.5Å; G753-I757 VanDerWaalsContact O-CG1 3.3Å; G753-I757 WeakPolarHBondContact O-CG1 3.43Å; G753-I757 PolarHBondContact O-N 2.96Å; I757-L759 PolarHBondContact O-N 3.02Å; I757-N760 PolarHBondContact O-N 2.7Å; I757-L761 HydrophobicContact CG2-CD1 3.7Å; I757-L761 HydrophobicContact CG2-CG 4.18Å; I757-L761 WeakPolarHBondContact O-CB 3.4Å; I757-L761 VanDerWaalsContact O-CG 3.27Å; I757-L761 WeakPolarHBondContact O-CG 3.29Å; I757-L761 PolarHBondContact O-N 3.38Å; I757-A786 HydrophobicContact CB-CB 4.04Å; I757-A786 HydrophobicContact CG2-CB 3.79Å; I757-S789 WeakPolarHBondContact CD1-OG 3.29Å; I757-M790 HydrophobicContact CD1-CG 3.99Å; I757-M790 HydrophobicContact CD1-SD 3.67Å
758	A	94.5	Very high	91.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.1	-42.5	-177	0	0	0	0	0	112.6	T754 V755 L762 A786 Y961	T754-A758 VanDerWaalsContact O-CB 3.28Å; T754-A758 WeakPolarHBondContact O-CB 3.5Å; T754-A758 PolarHBondContact O-N 3.05Å; V755-A758 PolarHBondContact O-N 2.91Å; A758-L762 WeakPolarHBondContact O-CB 3.17Å; A758-L762 PolarHBondContact O-N 2.9Å; A758-A786 HydrophobicContact CB-CB 3.75Å; A758-Y961 HydrophobicContact CB-CD2 3.4Å; A758-Y961 VanDerWaalsContact CB-CD2 3.4Å; A758-Y961 HydrophobicContact CB-CE2 3.76Å; A758-Y961 HydrophobicContact CB-CG 3.97Å
759	L	93.6	Very high	91.1	Very high	35 Å²	35	55.6 Å²	55.6	18%	0.183	28%	0.284	C	S	.	.	H	α-helix	trans	-73.1	-36.5	179	-68.5	177.9	0	0	0	113.2	V755 I757 L762 N763 Y961 I964	V755-L759 HydrophobicContact CG1-CD1 3.66Å; V755-L759 HydrophobicContact CG1-CG 4.24Å; V755-L759 WeakPolarHBondContact O-CB 3.41Å; V755-L759 VanDerWaalsContact O-CG 3.3Å; V755-L759 WeakPolarHBondContact O-CG 3.3Å; V755-L759 PolarHBondContact O-N 2.78Å; I757-L759 PolarHBondContact O-N 3.02Å; L759-L762 PolarHBondContact O-N 2.92Å; L759-N763 WeakPolarHBondContact O-CB 3.03Å; L759-N763 PolarHBondContact O-N 3.43Å; L759-N763 PolarHBondContact O-ND2 3.47Å; L759-Y961 HydrophobicContact CD2-CD2 4.12Å; L759-I964 HydrophobicContact CD1-CD1 3.92Å; L759-I964 HydrophobicContact CD1-CG2 4.48Å; L759-I964 HydrophobicContact CD2-CB 4.49Å; L759-I964 HydrophobicContact CD2-CG2 3.9Å
760	N	93.2	Very high	90.9	Very high	75 Å²	75	56.6 Å²	56.6	40%	0.401	29%	0.286	S	S	.	.	H	α-helix	trans	-67.2	-42.2	175.5	-78.9	-60.4	0	0	0	111.4	W756 I757 L762 N763 F764	W756-N760 VanDerWaalsContact CD1-ND2 3.26Å; W756-N760 VanDerWaalsContact CD2-ND2 3.3Å; W756-N760 PolarHBondContact NE1-ND2 3.36Å; W756-N760 WeakPolarHBondContact O-CB 3.42Å; W756-N760 PolarHBondContact O-N 2.82Å; W756-N760 PolarHBondContact O-ND2 3.48Å; I757-N760 PolarHBondContact O-N 2.7Å; N760-L762 VanDerWaalsContact C-N 3.34Å; N760-N763 CarbonylContact O-C 3.56Å; N760-N763 PolarHBondContact O-N 3.42Å; N760-F764 PolarHBondContact O-N 3.27Å
761	L	92.6	Very high	90.5	Very high	25 Å²	25	60.5 Å²	60.5	13%	0.131	31%	0.31	C	S	.	.	H	α-helix	trans	-63.9	-39.8	174.9	-67.7	178.2	0	0	0	111.2	I757 N763 F764 L778 T779 A782 I785	I757-L761 HydrophobicContact CG2-CD1 3.7Å; I757-L761 HydrophobicContact CG2-CG 4.18Å; I757-L761 WeakPolarHBondContact O-CB 3.4Å; I757-L761 VanDerWaalsContact O-CG 3.27Å; I757-L761 WeakPolarHBondContact O-CG 3.29Å; I757-L761 PolarHBondContact O-N 3.38Å; L761-N763 PolarHBondContact O-N 3.27Å; L761-F764 WeakPolarHBondContact O-CB 3.13Å; L761-F764 PolarHBondContact O-N 2.91Å; L761-F764 VanDerWaalsContact O-N 3.16Å; L761-L778 HydrophobicContact CD2-CD1 3.87Å; L761-L778 HydrophobicContact CD2-CD2 3.84Å; L761-L778 HydrophobicContact CD2-CG 3.75Å; L761-T779 WeakPolarHBondContact O-CG2 3.38Å; L761-A782 HydrophobicContact CB-CB 3.54Å; L761-A782 HydrophobicContact CD1-CB 4.47Å; L761-I785 HydrophobicContact CD1-CB 3.86Å; L761-I785 HydrophobicContact CD1-CD1 4.39Å; L761-I785 HydrophobicContact CD1-CG2 3.67Å
762	L	87.8	Confident	89.9	Confident	43 Å²	43	63.4 Å²	63.4	23%	0.225	33%	0.334	C	S	.	.	H	α-helix	trans	-63.7	-40.2	175.2	-175.4	67.7	0	0	0	112.6	A758 L759 N760 F764 Y961 T965	A758-L762 WeakPolarHBondContact O-CB 3.17Å; A758-L762 PolarHBondContact O-N 2.9Å; L759-L762 PolarHBondContact O-N 2.92Å; N760-L762 VanDerWaalsContact C-N 3.34Å; L762-F764 PolarHBondContact O-N 3.46Å; L762-Y961 HydrophobicContact CD2-CE2 4.47Å; L762-T965 HydrophobicContact CD2-CG2 3.6Å
763	N	86.9	Confident	89.3	Confident	56 Å²	56	62 Å²	62	30%	0.299	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-80.4	0.3	176.8	-73.2	-58.6	0	0	0	113.4	L759 N760 L761 T765 K766	L759-N763 WeakPolarHBondContact O-CB 3.03Å; L759-N763 PolarHBondContact O-N 3.43Å; L759-N763 PolarHBondContact O-ND2 3.47Å; N760-N763 CarbonylContact O-C 3.56Å; N760-N763 PolarHBondContact O-N 3.42Å; L761-N763 PolarHBondContact O-N 3.27Å; N763-T765 PolarHBondContact O-N 3.35Å; N763-K766 WeakPolarHBondContact O-CB 3.39Å; N763-K766 PolarHBondContact O-N 3.19Å; N763-K766 PolarHBondContact OD1-NZ 2.96Å
764	F	86.3	Confident	88.8	Confident	43 Å²	43	67.3 Å²	67.3	19%	0.189	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-64.4	-25.7	-176.7	-158.5	-90.5	0	0	0	112.6	N760 L761 L762 K766 T767 F769 L770 R775 L778 T779	N760-F764 PolarHBondContact O-N 3.27Å; L761-F764 WeakPolarHBondContact O-CB 3.13Å; L761-F764 PolarHBondContact O-N 2.91Å; L761-F764 VanDerWaalsContact O-N 3.16Å; L762-F764 PolarHBondContact O-N 3.46Å; F764-K766 PolarHBondContact O-N 3.3Å; F764-T767 HydrophobicContact CD2-CG2 4.49Å; F764-T767 WeakPolarHBondContact O-CB 3.46Å; F764-T767 PolarHBondContact O-N 3.34Å; F764-T767 PolarHBondContact O-OG1 3.43Å; F764-F769 HydrophobicContact CE1-CB 4.27Å; F764-F769 HydrophobicContact CZ-CB 3.85Å; F764-L770 HydrophobicContact CE1-CB 4.45Å; F764-L770 HydrophobicContact CE1-CD1 3.73Å; F764-L770 HydrophobicContact CE1-CG 4.12Å; F764-L770 HydrophobicContact CZ-CD1 4.09Å; F764-L770 HydrophobicContact CZ-CG 4.4Å; F764-R775 HydrophobicContact CD1-CB 4.2Å; F764-R775 HydrophobicContact CD1-CG 3.87Å; F764-R775 HydrophobicContact CE1-CG 4Å; F764-L778 HydrophobicContact CB-CD2 4.34Å; F764-L778 HydrophobicContact CD1-CD2 3.63Å; F764-L778 HydrophobicContact CD2-CD2 4.01Å; F764-L778 HydrophobicContact CE1-CD2 3.84Å; F764-L778 HydrophobicContact CE2-CD2 4.19Å; F764-L778 HydrophobicContact CG-CD2 3.72Å; F764-L778 HydrophobicContact CZ-CD2 4.1Å; F764-T779 HydrophobicContact CB-CG2 4.11Å
765	T	81	Confident	88.4	Confident	43 Å²	43	70.1 Å²	70.1	26%	0.264	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-54.3	-32.8	171.2	46.4	0	0	0	0	113.3	N763 T767 T779	N763-T765 PolarHBondContact O-N 3.35Å; T765-T767 VanDerWaalsContact C-N 3.27Å; T765-T767 PolarHBondContact O-N 3.08Å; T765-T779 HydrophobicContact CG2-CG2 3.4Å
766	K	79.3	Confident	87.8	Confident	136 Å²	136	71.7 Å²	71.7	59%	0.591	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-80.1	-8.5	-179.4	-59	173.1	-178.1	163.7	0	113	N763 F764	N763-K766 WeakPolarHBondContact O-CB 3.39Å; N763-K766 PolarHBondContact O-N 3.19Å; N763-K766 PolarHBondContact OD1-NZ 2.96Å; F764-K766 PolarHBondContact O-N 3.3Å
767	T	84.1	Confident	87.2	Confident	38 Å²	38	66 Å²	66	23%	0.233	35%	0.347	C	S	.	.	S	Bend	trans	-90.6	149.5	-176.6	73.9	0	0	0	0	111.5	F764 T765 F769 R775	F764-T767 HydrophobicContact CD2-CG2 4.49Å; F764-T767 WeakPolarHBondContact O-CB 3.46Å; F764-T767 PolarHBondContact O-N 3.34Å; F764-T767 PolarHBondContact O-OG1 3.43Å; T765-T767 VanDerWaalsContact C-N 3.27Å; T765-T767 PolarHBondContact O-N 3.08Å; T767-F769 PolarHBondContact O-N 3.23Å; T767-R775 WeakPolarHBondContact O-CD 3.18Å; T767-R775 PolarHBondContact O-NH1 2.93Å
768	P	84.4	Confident	86.9	Confident	113 Å²	113	66.1 Å²	66.1	73%	0.734	35%	0.348	S	S	*	.	S	Bend	trans	-76.3	-0.7	178.6	32.5	-36.3	0	0	0	113.7
769	F	87.3	Confident	86.6	Confident	137 Å²	137	66.8 Å²	66.8	60%	0.601	35%	0.352	S	S	*	.	S	Bend	trans	-82.8	143.8	-176.1	-55.2	-66.8	0	0	0	111.8	F764 T767 R775	F764-F769 HydrophobicContact CE1-CB 4.27Å; F764-F769 HydrophobicContact CZ-CB 3.85Å; T767-F769 PolarHBondContact O-N 3.23Å; F769-R775 WeakPolarHBondContact O-CD 3.2Å; F769-R775 VanDerWaalsContact O-CG 3.25Å; F769-R775 WeakPolarHBondContact O-CG 3.44Å
770	L	89.3	Confident	86.3	Confident	99 Å²	99	66.4 Å²	66.4	52%	0.518	35%	0.35	S	S	.	.	S	Bend	trans	63.9	167.1	-178.9	-51.7	176.7	0	0	0	114.5	F764 K774 R775	F764-L770 HydrophobicContact CE1-CB 4.45Å; F764-L770 HydrophobicContact CE1-CD1 3.73Å; F764-L770 HydrophobicContact CE1-CG 4.12Å; F764-L770 HydrophobicContact CZ-CD1 4.09Å; F764-L770 HydrophobicContact CZ-CG 4.4Å; L770-K774 HydrophobicContact CB-CB 4.11Å; L770-K774 HydrophobicContact CD1-CB 4.38Å; L770-R775 HydrophobicContact CB-CG 4.18Å
771	T	86.9	Confident	86.2	Confident	81 Å²	81	65 Å²	65	50%	0.497	34%	0.341	S	S	.	.			trans	-73.2	151.4	173.8	57.8	0	0	0	0	110.9	T773 K774 R775	T771-T773 PolarHBondContact O-N 3.01Å; T771-T773 VanDerWaalsContact O-N 3.14Å; T771-K774 PolarHBondContact O-N 3.17Å; T771-K774 WeakPolarHBondContact OG1-CG 3.31Å; T771-R775 PolarHBondContact O-N 2.97Å
772	A	82.9	Confident	86.2	Confident	63 Å²	63	63.9 Å²	63.9	52%	0.521	34%	0.335	S	S	.	.	H	α-helix	trans	-50.5	-43.2	-177.3	0	0	0	0	0	113.1	K774 R775 E776	A772-K774 PolarHBondContact O-N 3.03Å; A772-R775 PolarHBondContact O-N 3.17Å; A772-E776 PolarHBondContact O-N 3.25Å
773	T	82.5	Confident	86.4	Confident	67 Å²	67	61.9 Å²	61.9	41%	0.411	32%	0.324	S	S	.	.	H	α-helix	trans	-60.1	-42.2	176.9	-44.9	0	0	0	0	113	T771 I777	T771-T773 PolarHBondContact O-N 3.01Å; T771-T773 VanDerWaalsContact O-N 3.14Å; T773-I777 WeakPolarHBondContact O-CD1 3.47Å; T773-I777 VanDerWaalsContact O-CG1 3.29Å; T773-I777 WeakPolarHBondContact O-CG1 3.39Å; T773-I777 PolarHBondContact O-N 3.33Å
774	K	85.6	Confident	86.6	Confident	127 Å²	127	59.6 Å²	59.6	55%	0.552	31%	0.313	S	S	*	.	H	α-helix	trans	-71.3	-37.7	179.3	-71.1	-179.7	-179.3	-177.1	0	111.2	L770 T771 A772 I777 L778	L770-K774 HydrophobicContact CB-CB 4.11Å; L770-K774 HydrophobicContact CD1-CB 4.38Å; T771-K774 PolarHBondContact O-N 3.17Å; T771-K774 WeakPolarHBondContact OG1-CG 3.31Å; A772-K774 PolarHBondContact O-N 3.03Å; K774-I777 PolarHBondContact O-N 3.26Å; K774-L778 WeakPolarHBondContact O-CB 3.03Å; K774-L778 PolarHBondContact O-N 2.92Å
775	R	88.6	Confident	87	Confident	61 Å²	61	60.7 Å²	60.7	23%	0.23	32%	0.32	C	S	.	.	H	α-helix	trans	-60	-47.4	174.5	-63.4	-169.7	-61.4	-142.9	-0.7	111.3	F764 T767 F769 L770 T771 A772 I777 L778 T779	F764-R775 HydrophobicContact CD1-CB 4.2Å; F764-R775 HydrophobicContact CD1-CG 3.87Å; F764-R775 HydrophobicContact CE1-CG 4Å; T767-R775 WeakPolarHBondContact O-CD 3.18Å; T767-R775 PolarHBondContact O-NH1 2.93Å; F769-R775 WeakPolarHBondContact O-CD 3.2Å; F769-R775 VanDerWaalsContact O-CG 3.25Å; F769-R775 WeakPolarHBondContact O-CG 3.44Å; L770-R775 HydrophobicContact CB-CG 4.18Å; T771-R775 PolarHBondContact O-N 2.97Å; A772-R775 PolarHBondContact O-N 3.17Å; R775-I777 PolarHBondContact O-N 3.32Å; R775-L778 WeakPolarHBondContact O-CB 3.46Å; R775-L778 PolarHBondContact O-N 3.04Å; R775-L778 VanDerWaalsContact O-N 3.17Å; R775-T779 WeakPolarHBondContact O-CG2 3.5Å; R775-T779 PolarHBondContact O-N 3.47Å; R775-T779 PolarHBondContact O-OG1 3.34Å
776	E	83.3	Confident	87.7	Confident	48 Å²	48	58.7 Å²	58.7	22%	0.224	31%	0.307	C	S	.	.	H	α-helix	trans	-59.4	-44.6	179.1	-168.7	-167.1	179.3	0	0	112.1	R511 K512 A772 L778 T779 D780	R511-E776 IonicContact CZ-OE2 2.79Å; R511-E776 IonicContact NH2-OE2 3.88Å; R511-E776 PolarHBondContact NH2-OE2 3.37Å; K512-E776 IonicContact NZ-OE1 3.21Å; K512-E776 PolarHBondContact NZ-OE1 3.09Å; A772-E776 PolarHBondContact O-N 3.25Å; E776-L778 VanDerWaalsContact C-N 3.32Å; E776-L778 PolarHBondContact O-N 2.82Å; E776-T779 WeakPolarHBondContact CA-OG1 3.26Å; E776-T779 PolarHBondContact O-N 3.25Å; E776-T779 PolarHBondContact O-OG1 2.93Å; E776-D780 PolarHBondContact O-N 3.42Å
777	I	85.5	Confident	88.4	Confident	57 Å²	57	52.2 Å²	52.2	29%	0.292	28%	0.279	S	S	.	.	H	α-helix	trans	-59.2	-47.5	175.7	-66.9	165.5	0	0	0	110.2	R511 T773 K774 R775 T779 D780 F781	R511-I777 HydrophobicContact CG-CG1 4.43Å; T773-I777 WeakPolarHBondContact O-CD1 3.47Å; T773-I777 VanDerWaalsContact O-CG1 3.29Å; T773-I777 WeakPolarHBondContact O-CG1 3.39Å; T773-I777 PolarHBondContact O-N 3.33Å; K774-I777 PolarHBondContact O-N 3.26Å; R775-I777 PolarHBondContact O-N 3.32Å; I777-T779 VanDerWaalsContact C-N 3.25Å; I777-T779 PolarHBondContact O-N 3.16Å; I777-D780 PolarHBondContact O-N 3.04Å; I777-F781 HydrophobicContact CG2-CD2 3.77Å; I777-F781 HydrophobicContact CG2-CE2 3.99Å; I777-F781 VanDerWaalsContact O-CD2 3.26Å; I777-F781 WeakPolarHBondContact O-CD2 3.21Å; I777-F781 PolarHBondContact O-N 2.85Å; I777-F781 VanDerWaalsContact O-N 3.08Å
778	L	89.1	Confident	88.8	Confident	41 Å²	41	53.6 Å²	53.6	22%	0.215	29%	0.288	C	S	.	.	H	α-helix	trans	-61.5	-36.7	-179.4	-171.7	65.8	0	0	0	112	L761 F764 K774 R775 E776 A782 I785	L761-L778 HydrophobicContact CD2-CD1 3.87Å; L761-L778 HydrophobicContact CD2-CD2 3.84Å; L761-L778 HydrophobicContact CD2-CG 3.75Å; F764-L778 HydrophobicContact CB-CD2 4.34Å; F764-L778 HydrophobicContact CD1-CD2 3.63Å; F764-L778 HydrophobicContact CD2-CD2 4.01Å; F764-L778 HydrophobicContact CE1-CD2 3.84Å; F764-L778 HydrophobicContact CE2-CD2 4.19Å; F764-L778 HydrophobicContact CG-CD2 3.72Å; F764-L778 HydrophobicContact CZ-CD2 4.1Å; K774-L778 WeakPolarHBondContact O-CB 3.03Å; K774-L778 PolarHBondContact O-N 2.92Å; R775-L778 WeakPolarHBondContact O-CB 3.46Å; R775-L778 PolarHBondContact O-N 3.04Å; R775-L778 VanDerWaalsContact O-N 3.17Å; E776-L778 VanDerWaalsContact C-N 3.32Å; E776-L778 PolarHBondContact O-N 2.82Å; L778-A782 PolarHBondContact O-N 2.71Å; L778-I785 HydrophobicContact CD1-CD1 3.85Å
779	T	88	Confident	89.2	Confident	14 Å²	14	49.9 Å²	49.9	9%	0.086	27%	0.265	C	S	.	.	H	α-helix	trans	-73.3	-36.5	179.3	61.7	0	0	0	0	112.4	L761 F764 T765 R775 E776 I777 F781 A782	L761-T779 WeakPolarHBondContact O-CG2 3.38Å; F764-T779 HydrophobicContact CB-CG2 4.11Å; T765-T779 HydrophobicContact CG2-CG2 3.4Å; R775-T779 WeakPolarHBondContact O-CG2 3.5Å; R775-T779 PolarHBondContact O-N 3.47Å; R775-T779 PolarHBondContact O-OG1 3.34Å; E776-T779 WeakPolarHBondContact CA-OG1 3.26Å; E776-T779 PolarHBondContact O-N 3.25Å; E776-T779 PolarHBondContact O-OG1 2.93Å; I777-T779 VanDerWaalsContact C-N 3.25Å; I777-T779 PolarHBondContact O-N 3.16Å; T779-F781 VanDerWaalsContact C-N 3.31Å; T779-F781 PolarHBondContact O-N 3.15Å; T779-A782 WeakPolarHBondContact O-CB 3.23Å; T779-A782 PolarHBondContact O-N 3.45Å
780	D	87.7	Confident	89.5	Confident	27 Å²	27	44 Å²	44	14%	0.144	24%	0.239	C	C	.	.	H	α-helix	trans	-69.2	-32.4	177.1	-62.3	-22.5	0	0	0	111.4	K512 S515 E776 I777 A782	K512-D780 WeakPolarHBondContact CD-OD2 3.45Å; K512-D780 WeakPolarHBondContact CE-OD2 3.18Å; K512-D780 IonicContact NZ-OD1 3.54Å; K512-D780 PolarHBondContact NZ-OD1 2.83Å; K512-D780 IonicContact NZ-OD2 2.89Å; K512-D780 PolarHBondContact NZ-OD2 2.96Å; S515-D780 WeakPolarHBondContact OG-CB 3.46Å; E776-D780 PolarHBondContact O-N 3.42Å; I777-D780 PolarHBondContact O-N 3.04Å; D780-A782 VanDerWaalsContact C-N 3.35Å
781	F	91.4	Very high	89.6	Confident	47 Å²	47	39.8 Å²	39.8	21%	0.206	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	7.8	174.5	-75.6	-71.1	0	0	0	114.6	S515 I518 I777 T779 L783 P784 I785	S515-F781 WeakPolarHBondContact OG-CD2 3.15Å; S515-F781 VanDerWaalsContact OG-CE2 3.23Å; S515-F781 WeakPolarHBondContact OG-CE2 3.36Å; S515-F781 WeakPolarHBondContact OG-CZ 3.2Å; I518-F781 HydrophobicContact CB-CE1 3.83Å; I518-F781 HydrophobicContact CD1-CE1 3.54Å; I518-F781 HydrophobicContact CD1-CZ 3.92Å; I518-F781 HydrophobicContact CG1-CE1 4.26Å; I518-F781 HydrophobicContact CG2-CD1 4.2Å; I518-F781 HydrophobicContact CG2-CE1 3.85Å; I777-F781 HydrophobicContact CG2-CD2 3.77Å; I777-F781 HydrophobicContact CG2-CE2 3.99Å; I777-F781 VanDerWaalsContact O-CD2 3.26Å; I777-F781 WeakPolarHBondContact O-CD2 3.21Å; I777-F781 PolarHBondContact O-N 2.85Å; I777-F781 VanDerWaalsContact O-N 3.08Å; T779-F781 VanDerWaalsContact C-N 3.31Å; T779-F781 PolarHBondContact O-N 3.15Å; F781-L783 VanDerWaalsContact C-N 3.33Å; F781-L783 PolarHBondContact O-N 3.4Å; F781-P784 HydrophobicContact CD1-CG 4.39Å; F781-P784 WeakPolarHBondContact O-CD 3.49Å; F781-I785 HydrophobicContact CB-CD1 3.67Å; F781-I785 HydrophobicContact CB-CG1 4.11Å; F781-I785 WeakPolarHBondContact O-CB 3.25Å; F781-I785 WeakPolarHBondContact O-CD1 3.45Å; F781-I785 VanDerWaalsContact O-CG1 3.25Å; F781-I785 WeakPolarHBondContact O-CG1 3.45Å; F781-I785 PolarHBondContact O-N 3.09Å
782	A	92.2	Very high	89.8	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-53.6	-47.2	-174.3	0	0	0	0	0	113.1	L761 L778 T779 D780 A786	L761-A782 HydrophobicContact CB-CB 3.54Å; L761-A782 HydrophobicContact CD1-CB 4.47Å; L778-A782 PolarHBondContact O-N 2.71Å; T779-A782 WeakPolarHBondContact O-CB 3.23Å; T779-A782 PolarHBondContact O-N 3.45Å; D780-A782 VanDerWaalsContact C-N 3.35Å; A782-A786 WeakPolarHBondContact O-CB 3.45Å; A782-A786 PolarHBondContact O-N 2.96Å; A782-A786 VanDerWaalsContact O-N 3.09Å
783	L	91.5	Very high	90.3	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-68.7	-54	-178.7	169.9	65.5	0	0	0	112.7	F519 A523 F781 I785 A786 V787 L958 Y961	F519-L783 HydrophobicContact CD2-CB 3.98Å; F519-L783 HydrophobicContact CD2-CD2 3.96Å; F519-L783 HydrophobicContact CE2-CB 4Å; F519-L783 HydrophobicContact CE2-CD2 3.67Å; F519-L783 HydrophobicContact CE2-CG 4.48Å; F519-L783 HydrophobicContact CZ-CD2 4.49Å; A523-L783 HydrophobicContact CB-CD2 4.08Å; F781-L783 VanDerWaalsContact C-N 3.33Å; F781-L783 PolarHBondContact O-N 3.4Å; L783-I785 VanDerWaalsContact C-N 3.29Å; L783-I785 PolarHBondContact O-N 3.11Å; L783-A786 PolarHBondContact O-N 3.35Å; L783-V787 HydrophobicContact CD1-CG2 3.76Å; L783-V787 HydrophobicContact CG-CG2 4.47Å; L783-V787 WeakPolarHBondContact O-CG2 3.45Å; L783-V787 PolarHBondContact O-N 3.18Å; L783-L958 HydrophobicContact CD1-CB 4.5Å; L783-L958 HydrophobicContact CD1-CD1 3.34Å; L783-L958 HydrophobicContact CD1-CG 4.45Å; L783-L958 HydrophobicContact CD2-CD1 3.67Å; L783-L958 HydrophobicContact CG-CD1 4.12Å; L783-Y961 HydrophobicContact CB-CE1 3.95Å; L783-Y961 HydrophobicContact CD1-CD1 4Å; L783-Y961 HydrophobicContact CD1-CE1 4.19Å; L783-Y961 HydrophobicContact CD2-CE1 4.29Å; L783-Y961 HydrophobicContact CG-CE1 4.36Å
784	P	92.8	Very high	90.5	Very high	8 Å²	8	36.5 Å²	36.5	5%	0.052	19%	0.188	C	C	.	.	H	α-helix	trans	-52.9	-45	175.9	-28.6	33.1	0	0	0	113.4	I518 F522 F781 A786 V787 V788	I518-P784 HydrophobicContact CG2-CB 4.11Å; I518-P784 HydrophobicContact CG2-CG 3.85Å; F522-P784 HydrophobicContact CD2-CB 3.74Å; F522-P784 HydrophobicContact CD2-CG 3.85Å; F522-P784 HydrophobicContact CE2-CB 3.88Å; F522-P784 HydrophobicContact CE2-CG 4.42Å; F781-P784 HydrophobicContact CD1-CG 4.39Å; F781-P784 WeakPolarHBondContact O-CD 3.49Å; P784-A786 PolarHBondContact O-N 3.47Å; P784-V787 PolarHBondContact O-N 3.15Å; P784-V788 WeakPolarHBondContact O-CB 3.5Å; P784-V788 VanDerWaalsContact O-CG2 3.29Å; P784-V788 WeakPolarHBondContact O-CG2 3.39Å; P784-V788 PolarHBondContact O-N 3.24Å
785	I	94.5	Very high	90.4	Very high	67 Å²	67	32.2 Å²	32.2	34%	0.344	17%	0.174	S	C	.	.	H	α-helix	trans	-62	-46.9	179.9	-67.7	167.6	0	0	0	110.3	L761 L778 F781 L783 V788 S789	L761-I785 HydrophobicContact CD1-CB 3.86Å; L761-I785 HydrophobicContact CD1-CD1 4.39Å; L761-I785 HydrophobicContact CD1-CG2 3.67Å; L778-I785 HydrophobicContact CD1-CD1 3.85Å; F781-I785 HydrophobicContact CB-CD1 3.67Å; F781-I785 HydrophobicContact CB-CG1 4.11Å; F781-I785 WeakPolarHBondContact O-CB 3.25Å; F781-I785 WeakPolarHBondContact O-CD1 3.45Å; F781-I785 VanDerWaalsContact O-CG1 3.25Å; F781-I785 WeakPolarHBondContact O-CG1 3.45Å; F781-I785 PolarHBondContact O-N 3.09Å; L783-I785 VanDerWaalsContact C-N 3.29Å; L783-I785 PolarHBondContact O-N 3.11Å; I785-V788 PolarHBondContact O-N 3.45Å; I785-S789 VanDerWaalsContact O-CB 3.24Å; I785-S789 WeakPolarHBondContact O-CB 3.38Å; I785-S789 PolarHBondContact O-N 3.36Å; I785-S789 PolarHBondContact O-OG 3.25Å
786	A	95.3	Very high	90.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.7	-44.4	-179.5	0	0	0	0	0	112.8	T754 I757 A758 A782 L783 P784 S789 M790	T754-A786 HydrophobicContact CG2-CB 4.4Å; I757-A786 HydrophobicContact CB-CB 4.04Å; I757-A786 HydrophobicContact CG2-CB 3.79Å; A758-A786 HydrophobicContact CB-CB 3.75Å; A782-A786 WeakPolarHBondContact O-CB 3.45Å; A782-A786 PolarHBondContact O-N 2.96Å; A782-A786 VanDerWaalsContact O-N 3.09Å; L783-A786 PolarHBondContact O-N 3.35Å; P784-A786 PolarHBondContact O-N 3.47Å; A786-S789 PolarHBondContact O-OG 2.95Å; A786-S789 VanDerWaalsContact O-OG 3.1Å; A786-M790 WeakPolarHBondContact O-CB 3.46Å; A786-M790 WeakPolarHBondContact O-CG 3.42Å; A786-M790 PolarHBondContact O-N 2.8Å
787	V	93.2	Very high	90.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.4	-50.7	178	169.8	0	0	0	0	110.3	F522 L526 L783 P784 S791 V954	F522-V787 HydrophobicContact CD1-CG1 4.06Å; F522-V787 HydrophobicContact CE1-CG1 4.14Å; L526-V787 HydrophobicContact CD1-CG1 3.81Å; L526-V787 HydrophobicContact CD1-CG2 3.94Å; L783-V787 HydrophobicContact CD1-CG2 3.76Å; L783-V787 HydrophobicContact CG-CG2 4.47Å; L783-V787 WeakPolarHBondContact O-CG2 3.45Å; L783-V787 PolarHBondContact O-N 3.18Å; P784-V787 PolarHBondContact O-N 3.15Å; V787-S791 WeakPolarHBondContact O-CB 3.48Å; V787-S791 PolarHBondContact O-N 2.87Å; V787-S791 PolarHBondContact O-OG 2.94Å; V787-V954 HydrophobicContact CB-CG1 4.3Å; V787-V954 HydrophobicContact CG1-CG1 4.04Å; V787-V954 HydrophobicContact CG2-CG1 4.31Å
788	V	92.6	Very high	90.4	Very high	67 Å²	67	38.8 Å²	38.8	41%	0.406	21%	0.211	S	C	.	.	H	α-helix	trans	-64.6	-45.1	-177.7	172.3	0	0	0	0	110.5	F522 P784 I785 M790 S791 L792	F522-V788 HydrophobicContact CE1-CG2 4.32Å; F522-V788 HydrophobicContact CZ-CG2 3.91Å; P784-V788 WeakPolarHBondContact O-CB 3.5Å; P784-V788 VanDerWaalsContact O-CG2 3.29Å; P784-V788 WeakPolarHBondContact O-CG2 3.39Å; P784-V788 PolarHBondContact O-N 3.24Å; I785-V788 PolarHBondContact O-N 3.45Å; V788-M790 PolarHBondContact O-N 3.43Å; V788-S791 PolarHBondContact O-N 3.13Å; V788-L792 HydrophobicContact CG1-CD1 4.02Å; V788-L792 HydrophobicContact CG1-CG 4.45Å; V788-L792 WeakPolarHBondContact O-CB 3.41Å; V788-L792 VanDerWaalsContact O-CG 3.31Å; V788-L792 WeakPolarHBondContact O-CG 3.47Å; V788-L792 PolarHBondContact O-N 2.9Å
789	S	93.6	Very high	89.6	Confident	36 Å²	36	39.1 Å²	39.1	25%	0.252	23%	0.225	S	C	.	.	H	α-helix	trans	-62.2	-46.6	-179.7	66.4	0	0	0	0	111.8	I757 I785 A786 L792 V793	I757-S789 WeakPolarHBondContact CD1-OG 3.29Å; I785-S789 VanDerWaalsContact O-CB 3.24Å; I785-S789 WeakPolarHBondContact O-CB 3.38Å; I785-S789 PolarHBondContact O-N 3.36Å; I785-S789 PolarHBondContact O-OG 3.25Å; A786-S789 PolarHBondContact O-OG 2.95Å; A786-S789 VanDerWaalsContact O-OG 3.1Å; S789-L792 PolarHBondContact O-N 3.21Å; S789-V793 VanDerWaalsContact O-CG2 3.3Å; S789-V793 WeakPolarHBondContact O-CG2 3.25Å; S789-V793 PolarHBondContact O-N 3.32Å
790	M	94	Very high	88.8	Confident	13 Å²	13	46 Å²	46	6%	0.064	26%	0.261	C	S	.	.	H	α-helix	trans	-75.7	-26.4	-178.7	-66.3	-54.5	-61.3	0	0	112.9	L750 T754 I757 A786 V788 V793 G794 V954	L750-M790 HydrophobicContact CB-CE 4.44Å; L750-M790 HydrophobicContact CD2-CE 3.6Å; T754-M790 WeakPolarHBondContact OG1-CB 3.37Å; T754-M790 WeakPolarHBondContact OG1-CG 3.26Å; I757-M790 HydrophobicContact CD1-CG 3.99Å; I757-M790 HydrophobicContact CD1-SD 3.67Å; A786-M790 WeakPolarHBondContact O-CB 3.46Å; A786-M790 WeakPolarHBondContact O-CG 3.42Å; A786-M790 PolarHBondContact O-N 2.8Å; V788-M790 PolarHBondContact O-N 3.43Å; M790-V793 HydrophobicContact CE-CG1 4.45Å; M790-G794 PolarHBondContact O-N 3.33Å; M790-V954 HydrophobicContact CB-CG2 3.77Å
791	S	91.2	Very high	88.2	Confident	11 Å²	11	46.6 Å²	46.6	8%	0.077	26%	0.264	C	S	.	.	H	α-helix	trans	-67.7	-41.5	170	-56.7	0	0	0	0	111.2	V787 V788 G794 S795	V787-S791 WeakPolarHBondContact O-CB 3.48Å; V787-S791 PolarHBondContact O-N 2.87Å; V787-S791 PolarHBondContact O-OG 2.94Å; V788-S791 PolarHBondContact O-N 3.13Å; S791-G794 PolarHBondContact O-N 3.2Å; S791-S795 VanDerWaalsContact O-CB 3.29Å; S791-S795 WeakPolarHBondContact O-CB 3.09Å; S791-S795 PolarHBondContact O-N 2.89Å
792	L	91.2	Very high	87	Confident	95 Å²	95	52.6 Å²	52.6	50%	0.497	29%	0.29	S	S	.	.	H	α-helix	trans	-64.9	-43.1	174.2	-71.3	172.3	0	0	0	111.8	V788 S789 S795 L796	V788-L792 HydrophobicContact CG1-CD1 4.02Å; V788-L792 HydrophobicContact CG1-CG 4.45Å; V788-L792 WeakPolarHBondContact O-CB 3.41Å; V788-L792 VanDerWaalsContact O-CG 3.31Å; V788-L792 WeakPolarHBondContact O-CG 3.47Å; V788-L792 PolarHBondContact O-N 2.9Å; S789-L792 PolarHBondContact O-N 3.21Å; L792-S795 PolarHBondContact O-N 3.47Å; L792-L796 HydrophobicContact CB-CD1 4.4Å; L792-L796 HydrophobicContact CD2-CD1 4.02Å; L792-L796 WeakPolarHBondContact O-CB 3.5Å; L792-L796 WeakPolarHBondContact O-CG 3.4Å; L792-L796 PolarHBondContact O-N 3.44Å
793	V	91.5	Very high	85.7	Confident	42 Å²	42	53.8 Å²	53.8	26%	0.255	30%	0.296	S	S	.	.	I	π-helix	trans	-60.4	-47.3	174.2	168.7	0	0	0	0	110.6	L750 S789 M790 S795 I797 F798	L750-V793 HydrophobicContact CD2-CG1 4.07Å; S789-V793 VanDerWaalsContact O-CG2 3.3Å; S789-V793 WeakPolarHBondContact O-CG2 3.25Å; S789-V793 PolarHBondContact O-N 3.32Å; M790-V793 HydrophobicContact CE-CG1 4.45Å; V793-S795 PolarHBondContact O-N 3.4Å; V793-I797 HydrophobicContact CB-CD1 4.42Å; V793-I797 HydrophobicContact CG1-CD1 4.2Å; V793-I797 HydrophobicContact CG2-CD1 4.16Å; V793-I797 VanDerWaalsContact O-CB 3.31Å; V793-I797 WeakPolarHBondContact O-CB 3.2Å; V793-I797 PolarHBondContact O-N 3.02Å; V793-F798 HydrophobicContact CG1-CD2 3.99Å; V793-F798 HydrophobicContact CG1-CE2 3.76Å; V793-F798 PolarHBondContact O-N 3.48Å
794	G	87.3	Confident	84.4	Confident	4 Å²	4	60.7 Å²	60.7	4%	0.041	33%	0.326	C	S	.	.	I	π-helix	trans	-63	-41.6	178.8	0	0	0	0	0	113.4	M790 S791 F798	M790-G794 PolarHBondContact O-N 3.33Å; S791-G794 PolarHBondContact O-N 3.2Å; G794-F798 CarbonylContact O-C 3.51Å
795	S	84.8	Confident	82.9	Confident	38 Å²	38	64.2 Å²	64.2	27%	0.266	35%	0.349	S	S	.	.	I	π-helix	trans	-84.7	-34.1	-176	-174.5	0	0	0	0	114.2	S791 L792 V793 G799 Y949	S791-S795 VanDerWaalsContact O-CB 3.29Å; S791-S795 WeakPolarHBondContact O-CB 3.09Å; S791-S795 PolarHBondContact O-N 2.89Å; L792-S795 PolarHBondContact O-N 3.47Å; V793-S795 PolarHBondContact O-N 3.4Å; S795-G799 WeakPolarHBondContact O-CA 3.49Å; S795-Y949 VanDerWaalsContact OG-CD1 3.31Å; S795-Y949 WeakPolarHBondContact OG-CD1 3.44Å
796	L	86	Confident	81.5	Confident	131 Å²	131	61.9 Å²	61.9	69%	0.686	34%	0.336	S	S	*	.	I	π-helix	trans	-96.3	-43.8	-175	-60.4	176.8	0	0	0	112.5	L792	L792-L796 HydrophobicContact CB-CD1 4.4Å; L792-L796 HydrophobicContact CD2-CD1 4.02Å; L792-L796 WeakPolarHBondContact O-CB 3.5Å; L792-L796 WeakPolarHBondContact O-CG 3.4Å; L792-L796 PolarHBondContact O-N 3.44Å
797	I	86.7	Confident	79.8	Confident	116 Å²	116	69.5 Å²	69.5	60%	0.595	37%	0.372	S	S	*	.	I	π-helix	trans	-85.4	-41	-176.5	-58.2	176.3	0	0	0	110.3	V793	V793-I797 HydrophobicContact CB-CD1 4.42Å; V793-I797 HydrophobicContact CG1-CD1 4.2Å; V793-I797 HydrophobicContact CG2-CD1 4.16Å; V793-I797 VanDerWaalsContact O-CB 3.31Å; V793-I797 WeakPolarHBondContact O-CB 3.2Å; V793-I797 PolarHBondContact O-N 3.02Å
798	F	84.3	Confident	78.3	Confident	57 Å²	57	71.4 Å²	71.4	25%	0.25	38%	0.383	C	S	.	.	S	Bend	trans	-104	20.2	-179.4	-60	-67.3	0	0	0	113.6	V746 L750 V793 G794 D800 I801	V746-F798 HydrophobicContact CG1-CB 3.95Å; V746-F798 HydrophobicContact CG1-CD1 4.43Å; V746-F798 HydrophobicContact CG1-CD2 4.11Å; V746-F798 HydrophobicContact CG1-CG 3.92Å; V746-F798 HydrophobicContact CG2-CB 4.45Å; V746-F798 HydrophobicContact CG2-CD1 3.68Å; V746-F798 HydrophobicContact CG2-CE1 4Å; V746-F798 HydrophobicContact CG2-CG 4.02Å; L750-F798 HydrophobicContact CD2-CD2 4.41Å; V793-F798 HydrophobicContact CG1-CD2 3.99Å; V793-F798 HydrophobicContact CG1-CE2 3.76Å; V793-F798 PolarHBondContact O-N 3.48Å; G794-F798 CarbonylContact O-C 3.51Å; F798-D800 PolarHBondContact O-N 2.93Å; F798-D800 VanDerWaalsContact O-N 3.1Å; F798-I801 HydrophobicContact CD1-CD1 4.1Å; F798-I801 PolarHBondContact O-N 3.05Å
799	G	72.7	Confident	76.6	Confident	48 Å²	48	73.5 Å²	73.5	50%	0.495	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.1	-178.4	0	0	0	0	0	114.4	S795 I801	S795-G799 WeakPolarHBondContact O-CA 3.49Å; G799-I801 VanDerWaalsContact C-N 3.25Å; G799-I801 PolarHBondContact O-N 3.39Å
800	D	70.9	Confident	74.8	Confident	157 Å²	157	77.9 Å²	77.9	84%	0.84	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-23.3	176.3	-62.9	-28.5	0	0	0	112.9	F798	F798-D800 PolarHBondContact O-N 2.93Å; F798-D800 VanDerWaalsContact O-N 3.1Å
801	I	73.5	Confident	73	Confident	40 Å²	40	79.3 Å²	79.3	21%	0.205	43%	0.427	C	S	.	.	S	Bend	trans	-94.9	107.1	-177	-62	167	0	0	0	107.6	E742 V743 V746 F798 G799 L803	E742-I801 HydrophobicContact CB-CD1 4.16Å; E742-I801 HydrophobicContact CG-CD1 4.38Å; E742-I801 HydrophobicContact CG-CG1 4.28Å; E742-I801 HydrophobicContact CG-CG2 4.31Å; V743-I801 HydrophobicContact CB-CG2 4.43Å; V743-I801 HydrophobicContact CG2-CG2 3.78Å; V746-I801 HydrophobicContact CG2-CD1 3.45Å; V746-I801 VanDerWaalsContact CG2-CD1 3.45Å; V746-I801 HydrophobicContact CG2-CG2 4.46Å; F798-I801 HydrophobicContact CD1-CD1 4.1Å; F798-I801 PolarHBondContact O-N 3.05Å; G799-I801 VanDerWaalsContact C-N 3.25Å; G799-I801 PolarHBondContact O-N 3.39Å; I801-L803 VanDerWaalsContact C-N 3.26Å; I801-L803 PolarHBondContact O-N 3.3Å
802	K	66.5	Low	71.4	Confident	173 Å²	173	86.5 Å²	86.5	75%	0.752	47%	0.465	S	S	*	.			trans	-69.8	78.3	-176.5	-64.3	-176.4	-178.5	180	0	111.7	K804	K802-K804 PolarHBondContact O-N 2.92Å
803	L	65	Low	70	Confident	26 Å²	26	84.2 Å²	84.2	14%	0.136	45%	0.451	C	S	.	.			trans	-59.1	132.6	160.6	-62	171	0	0	0	107.3	V743 V746 L750 I801 P805 P951 P953	V743-L803 HydrophobicContact CG1-CD2 4.22Å; V746-L803 HydrophobicContact CG1-CD1 4.24Å; V746-L803 HydrophobicContact CG1-CD2 4.42Å; L750-L803 HydrophobicContact CD1-CD1 3.71Å; I801-L803 VanDerWaalsContact C-N 3.26Å; I801-L803 PolarHBondContact O-N 3.3Å; L803-P805 WeakPolarHBondContact O-CD 3.49Å; L803-P951 HydrophobicContact CD1-CB 3.73Å; L803-P953 HydrophobicContact CD1-CG 4.32Å
804	K	63.9	Low	68.5	Low	145 Å²	145	88.3 Å²	88.3	63%	0.63	47%	0.469	S	S	*	.			trans	-53.6	108.5	177.6	-70.2	175.2	179.7	170.6	0	108.3	E654 K802	E654-K804 IonicContact OE2-NZ 2.82Å; E654-K804 PolarHBondContact OE2-NZ 3.49Å; K802-K804 PolarHBondContact O-N 2.92Å
805	P	62.1	Low	67.8	Low	82 Å²	82	92.3 Å²	92.3	53%	0.532	49%	0.489	S	S	.	.			trans	-70.6	164.1	179.4	30.5	-33	0	0	0	109.4	L803 E807 I948	L803-P805 WeakPolarHBondContact O-CD 3.49Å; P805-E807 PolarHBondContact O-N 3.45Å; P805-E807 VanDerWaalsContact O-N 3.1Å; P805-I948 HydrophobicContact CB-CD1 4.38Å; P805-I948 HydrophobicContact CB-CG1 4.2Å
806	F	64.9	Low	67.4	Low	19 Å²	19	96 Å²	96	8%	0.083	51%	0.506	C	S	.	.			trans	-65.4	112.1	172.2	-57.7	-49.7	0	0	0	109.5	I529 L533 V808 I950 P952	I529-F806 HydrophobicContact CG2-CD2 4.47Å; I529-F806 HydrophobicContact CG2-CE2 4.32Å; I529-F806 HydrophobicContact CG2-CZ 4.35Å; L533-F806 HydrophobicContact CD1-CB 4.39Å; L533-F806 HydrophobicContact CD1-CD1 3.1Å; L533-F806 HydrophobicContact CD1-CE1 3.41Å; L533-F806 VanDerWaalsContact CD1-CE1 3.41Å; L533-F806 HydrophobicContact CD1-CG 3.94Å; L533-F806 HydrophobicContact CD1-CZ 4.45Å; L533-F806 HydrophobicContact CD2-CB 4.27Å; L533-F806 HydrophobicContact CD2-CD1 4.35Å; L533-F806 HydrophobicContact CG-CD1 4.32Å; F806-V808 VanDerWaalsContact C-N 3.29Å; F806-V808 HydrophobicContact CB-CG2 4.14Å; F806-V808 PolarHBondContact O-N 2.99Å; F806-I950 HydrophobicContact CE2-CB 4.43Å; F806-I950 WeakPolarHBondContact CE2-O 3.48Å; F806-I950 WeakPolarHBondContact CZ-O 3.46Å; F806-P952 HydrophobicContact CD1-CG 4.32Å; F806-P952 HydrophobicContact CE1-CB 4.39Å; F806-P952 HydrophobicContact CE1-CG 3.76Å; F806-P952 HydrophobicContact CZ-CG 4.26Å
807	E	59.9	Low	67.4	Low	159 Å²	159	97.2 Å²	97.2	74%	0.743	51%	0.505	S	S	*	.			trans	-72.2	88.3	170.3	-71.1	178.5	-169.2	0	0	108.4	P805	P805-E807 PolarHBondContact O-N 3.45Å; P805-E807 VanDerWaalsContact O-N 3.1Å
808	V	61.1	Low	67.3	Low	40 Å²	40	92 Å²	92	24%	0.242	48%	0.48	C	S	.	.			trans	-102.4	93.7	169.9	-171.8	0	0	0	0	107.1	F806 I943	F806-V808 VanDerWaalsContact C-N 3.29Å; F806-V808 HydrophobicContact CB-CG2 4.14Å; F806-V808 PolarHBondContact O-N 2.99Å; V808-I943 HydrophobicContact CB-CG2 4.48Å; V808-I943 HydrophobicContact CG1-CG2 3.6Å
809	E	58.5	Low	67.5	Low	112 Å²	112	91.8 Å²	91.8	52%	0.523	48%	0.484	S	S	.	.			trans	-67.4	135.2	167.6	-74.4	175.9	179.3	0	0	108.4	K541 S811	K541-E809 IonicContact NZ-OE1 3.04Å; K541-E809 PolarHBondContact NZ-OE1 3.19Å; K541-E809 IonicContact NZ-OE2 3.66Å; K541-E809 PolarHBondContact NZ-OE2 3.19Å; E809-S811 VanDerWaalsContact C-N 3.26Å; E809-S811 PolarHBondContact O-N 3.36Å
810	P	55.3	Low	68.2	Low	128 Å²	128	92.3 Å²	92.3	83%	0.831	48%	0.475	S	S	*	.			trans	-64	94.8	170.4	26.4	-31.1	0	0	0	107.6	D812	P810-D812 PolarHBondContact O-N 3.06Å
811	S	56.2	Low	69	Low	42 Å²	42	93 Å²	93	29%	0.294	48%	0.479	S	S	.	.			trans	-64.8	127.5	173.1	58.1	0	0	0	0	108.2	E809 F813	E809-S811 VanDerWaalsContact C-N 3.26Å; E809-S811 PolarHBondContact O-N 3.36Å; S811-F813 PolarHBondContact O-N 3.46Å
812	D	56.3	Low	69.7	Low	163 Å²	163	96.5 Å²	96.5	87%	0.872	50%	0.498	S	S	*	.			trans	-63.1	80.4	163.4	-81.4	-23.8	0	0	0	108.3	P810 M814	P810-D812 PolarHBondContact O-N 3.06Å; D812-M814 PolarHBondContact O-N 3.27Å; D812-M814 VanDerWaalsContact O-N 3.11Å
813	F	61.6	Low	70.8	Confident	47 Å²	47	89.5 Å²	89.5	21%	0.206	47%	0.468	C	S	.	.			trans	-78.8	102.4	-171.6	178	-99.1	0	0	0	109.5	R547 M550 S811 L815	R547-F813 HydrophobicContact CG-CD2 4.39Å; R547-F813 HydrophobicContact CG-CE2 4.04Å; M550-F813 HydrophobicContact CE-CD1 3.71Å; M550-F813 HydrophobicContact CE-CE1 3.66Å; M550-F813 HydrophobicContact CE-CG 4.34Å; M550-F813 HydrophobicContact CE-CZ 4.26Å; M550-F813 HydrophobicContact SD-CD1 3.86Å; M550-F813 HydrophobicContact SD-CD2 4.46Å; M550-F813 HydrophobicContact SD-CE1 3.24Å; M550-F813 WeakPolarHBondContact SD-CE1 3.21Å; M550-F813 HydrophobicContact SD-CE2 3.94Å; M550-F813 HydrophobicContact SD-CG 4.41Å; M550-F813 HydrophobicContact SD-CZ 3.28Å; M550-F813 WeakPolarHBondContact SD-CZ 3.29Å; S811-F813 PolarHBondContact O-N 3.46Å; F813-L815 HydrophobicContact CE1-CB 3.99Å; F813-L815 HydrophobicContact CE1-CD1 3.95Å; F813-L815 HydrophobicContact CE1-CG 3.67Å; F813-L815 HydrophobicContact CZ-CB 4.26Å; F813-L815 HydrophobicContact CZ-CD1 4.3Å; F813-L815 HydrophobicContact CZ-CG 3.69Å
814	M	62	Low	72	Confident	128 Å²	128	91.2 Å²	91.2	63%	0.631	48%	0.483	S	S	*	.			trans	-100.5	123.3	164.6	-68	-69.1	160.2	0	0	109.1	D812 N816	D812-M814 PolarHBondContact O-N 3.27Å; D812-M814 VanDerWaalsContact O-N 3.11Å; M814-N816 PolarHBondContact O-N 3.02Å
815	L	71.6	Confident	73.2	Confident	87 Å²	87	93.8 Å²	93.8	46%	0.455	49%	0.488	S	S	.	.			trans	-73.3	66	179.2	-132.7	165.4	0	0	0	109.7	F813 F883	F813-L815 HydrophobicContact CE1-CB 3.99Å; F813-L815 HydrophobicContact CE1-CD1 3.95Å; F813-L815 HydrophobicContact CE1-CG 3.67Å; F813-L815 HydrophobicContact CZ-CB 4.26Å; F813-L815 HydrophobicContact CZ-CD1 4.3Å; F813-L815 HydrophobicContact CZ-CG 3.69Å; L815-F883 HydrophobicContact CD2-CB 3.66Å; L815-F883 HydrophobicContact CD2-CD1 3.1Å; L815-F883 HydrophobicContact CD2-CD2 4.25Å; L815-F883 HydrophobicContact CD2-CE1 3.7Å; L815-F883 HydrophobicContact CD2-CG 3.41Å; L815-F883 VanDerWaalsContact CD2-CG 3.41Å; L815-F883 HydrophobicContact CD2-CZ 4.49Å
816	N	77	Confident	74.6	Confident	115 Å²	115	93 Å²	93	62%	0.615	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-84.2	136.4	-173.9	-71.3	-17.5	0	0	0	111.4	M814	M814-N816 PolarHBondContact O-N 3.02Å
817	K	84.5	Confident	75.9	Confident	157 Å²	157	92.4 Å²	92.4	68%	0.683	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-65.1	139.4	173.2	-176.6	176.7	178.3	-177.4	0	110.5	I882	K817-I882 HydrophobicContact CG-CG2 4.08Å
818	A	85.5	Confident	77.6	Confident	7 Å²	7	87.1 Å²	87.1	6%	0.058	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-57.6	129.9	176.8	0	0	0	0	0	112.1	A599 L820 I882 C884	A599-A818 HydrophobicContact CB-CB 3.3Å; A818-L820 VanDerWaalsContact C-N 3.27Å; A818-L820 PolarHBondContact O-N 3.18Å; A818-I882 PolarHBondContact N-O 2.96Å; A818-C884 WeakPolarHBondContact CB-SG 3.45Å
819	P	88.9	Confident	79.1	Confident	52 Å²	52	90.3 Å²	90.3	34%	0.338	48%	0.475	S	S	.	.			trans	-81.4	69.7	-179.8	32.7	-34	0	0	0	111.6	A596 N821 L822	A596-P819 HydrophobicContact CB-CG 4.22Å; A596-P819 VanDerWaalsContact CB-O 3.26Å; A596-P819 WeakPolarHBondContact CB-O 3.2Å; P819-N821 PolarHBondContact O-N 3.48Å; P819-N821 VanDerWaalsContact O-N 3.14Å; P819-L822 HydrophobicContact CB-CD1 3.69Å; P819-L822 HydrophobicContact CB-CG 4.15Å; P819-L822 HydrophobicContact CG-CD1 3.78Å; P819-L822 WeakPolarHBondContact O-CB 3.45Å; P819-L822 PolarHBondContact O-N 2.95Å; P819-L822 VanDerWaalsContact O-N 3.12Å
820	L	87.1	Confident	80.7	Confident	60 Å²	60	86.9 Å²	86.9	31%	0.314	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-59.2	-25.1	-178.5	-67.3	173.2	0	0	0	113.7	A599 C600 L603 A818 L822 L823	A599-L820 HydrophobicContact CB-CD2 3.88Å; C600-L820 HydrophobicContact CB-CD2 4.15Å; L603-L820 HydrophobicContact CD1-CD1 3.74Å; A818-L820 VanDerWaalsContact C-N 3.27Å; A818-L820 PolarHBondContact O-N 3.18Å; L820-L822 PolarHBondContact O-N 3.31Å; L820-L822 VanDerWaalsContact O-N 3.16Å; L820-L823 PolarHBondContact O-N 3.42Å
821	N	87.8	Confident	82.6	Confident	170 Å²	170	80.8 Å²	80.8	91%	0.909	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-66.1	-14.5	178.8	-62.3	-2.1	0	0	0	113.2	P819 L823	P819-N821 PolarHBondContact O-N 3.48Å; P819-N821 VanDerWaalsContact O-N 3.14Å; N821-L823 VanDerWaalsContact C-N 3.32Å
822	L	88.2	Confident	84.4	Confident	115 Å²	115	81.2 Å²	81.2	60%	0.602	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-81.6	-8.1	177.2	-65.1	173.7	0	0	0	113.2	N593 P819 L820	N593-L822 HydrophobicContact CB-CD1 4.26Å; P819-L822 HydrophobicContact CB-CD1 3.69Å; P819-L822 HydrophobicContact CB-CG 4.15Å; P819-L822 HydrophobicContact CG-CD1 3.78Å; P819-L822 WeakPolarHBondContact O-CB 3.45Å; P819-L822 PolarHBondContact O-N 2.95Å; P819-L822 VanDerWaalsContact O-N 3.12Å; L820-L822 PolarHBondContact O-N 3.31Å; L820-L822 VanDerWaalsContact O-N 3.16Å
823	L	88.8	Confident	86.1	Confident	25 Å²	25	75.7 Å²	75.7	13%	0.131	41%	0.41	C	S	.	.			trans	-80.6	130.9	-178.7	-101.9	70.7	0	0	0	112	I592 A596 C600 L820 N821 A827 V828	I592-L823 HydrophobicContact CG2-CD1 4.35Å; A596-L823 HydrophobicContact CB-CD1 3.15Å; C600-L823 HydrophobicContact CB-CD2 3.49Å; C600-L823 VanDerWaalsContact CB-CD2 3.49Å; L820-L823 PolarHBondContact O-N 3.42Å; N821-L823 VanDerWaalsContact C-N 3.32Å; L823-A827 HydrophobicContact CD2-CB 4.39Å; L823-A827 HydrophobicContact CG-CB 4.13Å; L823-V828 HydrophobicContact CB-CG2 4.14Å; L823-V828 HydrophobicContact CD2-CG2 4.13Å
824	S	90.1	Very high	87.6	Confident	63 Å²	63	74.5 Å²	74.5	44%	0.441	41%	0.406	S	S	.	.			trans	-75.5	154.5	167.3	61.6	0	0	0	0	111.2	P826 A827 V828	S824-P826 VanDerWaalsContact C-N 3.34Å; S824-A827 WeakPolarHBondContact O-CB 3.31Å; S824-A827 PolarHBondContact O-N 2.95Å; S824-V828 PolarHBondContact O-N 2.91Å; S824-V828 VanDerWaalsContact O-N 3.15Å
825	W	90.6	Very high	89.1	Confident	199 Å²	199	68.4 Å²	68.4	75%	0.754	38%	0.376	S	S	*	.	H	α-helix	trans	-57.7	-35.2	179.8	78.3	-97.5	0	0	0	114.3	A827 V828 L829	W825-A827 VanDerWaalsContact C-N 3.32Å; W825-A827 PolarHBondContact O-N 3.37Å; W825-V828 WeakPolarHBondContact O-CB 3.29Å; W825-V828 PolarHBondContact O-N 3Å; W825-L829 HydrophobicContact CZ3-CD2 4.26Å; W825-L829 PolarHBondContact O-N 3.31Å; W825-L829 VanDerWaalsContact O-N 3.1Å
826	P	91.6	Very high	90.2	Very high	64 Å²	64	68.4 Å²	68.4	42%	0.416	38%	0.375	S	S	.	.	H	α-helix	trans	-67.9	-33.3	175.6	-17.6	32.7	0	0	0	112	S824 V828 L829 G830	S824-P826 VanDerWaalsContact C-N 3.34Å; P826-V828 VanDerWaalsContact C-N 3.33Å; P826-L829 PolarHBondContact O-N 2.89Å; P826-G830 PolarHBondContact O-N 3.07Å
827	A	92.2	Very high	90.9	Very high	7 Å²	7	64 Å²	64	6%	0.058	35%	0.353	C	S	.	.	H	α-helix	trans	-65.6	-37.9	175.5	0	0	0	0	0	111.4	I592 M597 L823 S824 W825 G830 S831	I592-A827 HydrophobicContact CD1-CB 3.82Å; M597-A827 HydrophobicContact CE-CB 4Å; L823-A827 HydrophobicContact CD2-CB 4.39Å; L823-A827 HydrophobicContact CG-CB 4.13Å; S824-A827 WeakPolarHBondContact O-CB 3.31Å; S824-A827 PolarHBondContact O-N 2.95Å; W825-A827 VanDerWaalsContact C-N 3.32Å; W825-A827 PolarHBondContact O-N 3.37Å; A827-G830 PolarHBondContact O-N 3.45Å; A827-S831 WeakPolarHBondContact O-CB 3.3Å; A827-S831 PolarHBondContact O-N 3.49Å; A827-S831 PolarHBondContact O-OG 3.27Å
828	V	94	Very high	91.4	Very high	48 Å²	48	56.5 Å²	56.5	29%	0.291	32%	0.32	S	S	.	.	H	α-helix	trans	-62.7	-44.6	172.8	178.7	0	0	0	0	110.6	F604 L823 S824 W825 P826 S831 I832	F604-V828 HydrophobicContact CE2-CG1 3.75Å; F604-V828 HydrophobicContact CZ-CG1 3.77Å; L823-V828 HydrophobicContact CB-CG2 4.14Å; L823-V828 HydrophobicContact CD2-CG2 4.13Å; S824-V828 PolarHBondContact O-N 2.91Å; S824-V828 VanDerWaalsContact O-N 3.15Å; W825-V828 WeakPolarHBondContact O-CB 3.29Å; W825-V828 PolarHBondContact O-N 3Å; P826-V828 VanDerWaalsContact C-N 3.33Å; V828-S831 WeakPolarHBondContact O-CB 3.37Å; V828-S831 PolarHBondContact O-N 2.64Å; V828-I832 PolarHBondContact O-N 2.79Å
829	L	93.7	Very high	91.8	Very high	107 Å²	107	56.1 Å²	56.1	56%	0.56	32%	0.318	S	S	*	.	H	α-helix	trans	-64.6	-42	177	-173.3	64	0	0	0	112.2	W825 P826 S831 I832 G833	W825-L829 HydrophobicContact CZ3-CD2 4.26Å; W825-L829 PolarHBondContact O-N 3.31Å; W825-L829 VanDerWaalsContact O-N 3.1Å; P826-L829 PolarHBondContact O-N 2.89Å; L829-S831 VanDerWaalsContact C-N 3.3Å; L829-S831 PolarHBondContact O-N 3.38Å; L829-I832 WeakPolarHBondContact O-CB 3.4Å; L829-I832 PolarHBondContact O-N 2.99Å; L829-G833 PolarHBondContact O-N 2.83Å
830	G	92.4	Very high	92	Very high	40 Å²	40	55.5 Å²	55.5	41%	0.412	31%	0.311	S	S	.	.	H	α-helix	trans	-62	-36.9	173.4	0	0	0	0	0	112.8	P826 A827 I832 G833 I834	P826-G830 PolarHBondContact O-N 3.07Å; A827-G830 PolarHBondContact O-N 3.45Å; G830-I832 VanDerWaalsContact C-N 3.33Å; G830-I832 PolarHBondContact O-N 2.99Å; G830-G833 PolarHBondContact O-N 3.46Å; G830-G833 VanDerWaalsContact O-N 3.14Å; G830-I834 PolarHBondContact O-N 2.97Å
831	S	94.5	Very high	92.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.8	-40.3	176.1	-61.2	0	0	0	0	112	M597 A827 V828 L829 G833 I834 A835	M597-S831 PolarHBondContact SD-OG 3.4Å; A827-S831 WeakPolarHBondContact O-CB 3.3Å; A827-S831 PolarHBondContact O-N 3.49Å; A827-S831 PolarHBondContact O-OG 3.27Å; V828-S831 WeakPolarHBondContact O-CB 3.37Å; V828-S831 PolarHBondContact O-N 2.64Å; L829-S831 VanDerWaalsContact C-N 3.3Å; L829-S831 PolarHBondContact O-N 3.38Å; S831-G833 VanDerWaalsContact C-N 3.3Å; S831-G833 PolarHBondContact O-N 3.44Å; S831-I834 PolarHBondContact O-N 2.73Å; S831-A835 WeakPolarHBondContact O-CB 3.45Å; S831-A835 PolarHBondContact O-N 3.35Å
832	I	94.4	Very high	92.5	Very high	52 Å²	52	44.6 Å²	44.6	27%	0.267	25%	0.253	S	S	.	.	H	α-helix	trans	-59.4	-43.5	174.6	-65.2	168.7	0	0	0	110.3	F604 F608 V828 L829 G830 I834 A835 I836	F604-I832 HydrophobicContact CD1-CG1 3.85Å; F604-I832 HydrophobicContact CD2-CG1 3.81Å; F604-I832 HydrophobicContact CE1-CD1 3.93Å; F604-I832 HydrophobicContact CE1-CG1 3.7Å; F604-I832 HydrophobicContact CE2-CD1 4.27Å; F604-I832 HydrophobicContact CE2-CG1 3.64Å; F604-I832 HydrophobicContact CG-CG1 3.92Å; F604-I832 HydrophobicContact CZ-CD1 3.79Å; F604-I832 HydrophobicContact CZ-CG1 3.6Å; F608-I832 HydrophobicContact CZ-CG2 4.1Å; V828-I832 PolarHBondContact O-N 2.79Å; L829-I832 WeakPolarHBondContact O-CB 3.4Å; L829-I832 PolarHBondContact O-N 2.99Å; G830-I832 VanDerWaalsContact C-N 3.33Å; G830-I832 PolarHBondContact O-N 2.99Å; I832-I834 VanDerWaalsContact C-N 3.35Å; I832-I834 PolarHBondContact O-N 3.44Å; I832-A835 PolarHBondContact O-N 3.33Å; I832-I836 HydrophobicContact CG2-CD1 4.29Å; I832-I836 WeakPolarHBondContact O-CG1 3.43Å; I832-I836 PolarHBondContact O-N 3.37Å; I832-I836 VanDerWaalsContact O-N 3.11Å
833	G	91.8	Very high	92.7	Very high	46 Å²	46	40 Å²	40	47%	0.474	23%	0.228	S	C	.	.	H	α-helix	trans	-60	-39.7	179.3	0	0	0	0	0	113.8	L829 G830 S831 P837	L829-G833 PolarHBondContact O-N 2.83Å; G830-G833 PolarHBondContact O-N 3.46Å; G830-G833 VanDerWaalsContact O-N 3.14Å; S831-G833 VanDerWaalsContact C-N 3.3Å; S831-G833 PolarHBondContact O-N 3.44Å; G833-P837 WeakPolarHBondContact O-CD 3.49Å
834	I	92.3	Very high	92.8	Very high	23 Å²	23	39 Å²	39	12%	0.118	22%	0.223	C	C	.	.	H	α-helix	trans	-79.1	-32.8	176.7	-59.7	172.7	0	0	0	111.4	Y579 I586 I601 G830 S831 I832 I836 P837 L838	Y579-I834 HydrophobicContact CD1-CG2 4.02Å; Y579-I834 HydrophobicContact CE1-CG2 3.99Å; I586-I834 HydrophobicContact CD1-CD1 3.52Å; I601-I834 HydrophobicContact CD1-CB 4.32Å; I601-I834 HydrophobicContact CD1-CD1 4.15Å; I601-I834 HydrophobicContact CD1-CG2 4.26Å; I601-I834 HydrophobicContact CG2-CG2 4.22Å; G830-I834 PolarHBondContact O-N 2.97Å; S831-I834 PolarHBondContact O-N 2.73Å; I832-I834 VanDerWaalsContact C-N 3.35Å; I832-I834 PolarHBondContact O-N 3.44Å; I834-I836 VanDerWaalsContact C-N 3.34Å; I834-I836 PolarHBondContact O-N 2.92Å; I834-P837 VanDerWaalsContact O-CD 3.25Å; I834-P837 WeakPolarHBondContact O-CD 3.3Å; I834-P837 WeakPolarHBondContact O-CG 3.32Å; I834-L838 WeakPolarHBondContact O-CB 3.37Å; I834-L838 PolarHBondContact O-N 2.93Å
835	A	95	Very high	92.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-67.9	-29	179.6	0	0	0	0	0	113.3	I601 F604 F608 S831 I832 L838 S839	I601-A835 HydrophobicContact CG2-CB 4.3Å; F604-A835 HydrophobicContact CB-CB 3.57Å; F608-A835 HydrophobicContact CD2-CB 4.3Å; F608-A835 HydrophobicContact CE2-CB 4.03Å; S831-A835 WeakPolarHBondContact O-CB 3.45Å; S831-A835 PolarHBondContact O-N 3.35Å; I832-A835 PolarHBondContact O-N 3.33Å; A835-L838 PolarHBondContact O-N 3Å; A835-S839 VanDerWaalsContact O-CB 3.32Å; A835-S839 WeakPolarHBondContact O-CB 3.28Å; A835-S839 PolarHBondContact O-N 3.23Å; A835-S839 PolarHBondContact O-OG 2.72Å
836	I	93.4	Very high	92.9	Very high	86 Å²	86	27.2 Å²	27.2	44%	0.441	17%	0.169	S	C	.	.	H	α-helix	trans	-60.6	-58.8	177	-70	165	0	0	0	112.2	F608 I832 I834 L838 S839 L840	F608-I836 HydrophobicContact CD2-CG1 4.47Å; F608-I836 HydrophobicContact CE2-CG1 3.7Å; F608-I836 HydrophobicContact CZ-CD1 4.48Å; F608-I836 HydrophobicContact CZ-CG1 3.77Å; I832-I836 HydrophobicContact CG2-CD1 4.29Å; I832-I836 WeakPolarHBondContact O-CG1 3.43Å; I832-I836 PolarHBondContact O-N 3.37Å; I832-I836 VanDerWaalsContact O-N 3.11Å; I834-I836 VanDerWaalsContact C-N 3.34Å; I834-I836 PolarHBondContact O-N 2.92Å; I836-L838 VanDerWaalsContact C-N 3.26Å; I836-L838 PolarHBondContact O-N 3.48Å; I836-S839 PolarHBondContact O-N 3.35Å; I836-S839 PolarHBondContact O-OG 3.32Å; I836-L840 PolarHBondContact O-N 2.86Å; I836-L840 VanDerWaalsContact O-N 3.07Å
837	P	92.1	Very high	92.9	Very high	22 Å²	22	24.2 Å²	24.2	14%	0.143	15%	0.149	C	C	.	.	H	α-helix	trans	-64.9	-31.1	178	26.6	-34.9	0	0	0	112.2	Y579 G833 I834 L840 L841	Y579-P837 VanDerWaalsContact OH-C 3.29Å; Y579-P837 WeakPolarHBondContact OH-CB 3.25Å; G833-P837 WeakPolarHBondContact O-CD 3.49Å; I834-P837 VanDerWaalsContact O-CD 3.25Å; I834-P837 WeakPolarHBondContact O-CD 3.3Å; I834-P837 WeakPolarHBondContact O-CG 3.32Å; P837-L840 PolarHBondContact O-N 3.37Å; P837-L841 PolarHBondContact O-N 3.44Å
838	L	94	Very high	92.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63	-43.8	172.7	-174.6	59.4	0	0	0	111.7	L576 Y579 I601 N605 I834 A835 I836 L840 L841 F842 W887	L576-L838 HydrophobicContact CD2-CD1 3.98Å; Y579-L838 HydrophobicContact CD1-CB 4.2Å; Y579-L838 HydrophobicContact CD1-CD1 3.84Å; Y579-L838 HydrophobicContact CD1-CD2 4.36Å; Y579-L838 HydrophobicContact CD1-CG 4.36Å; Y579-L838 HydrophobicContact CD2-CD1 3.88Å; Y579-L838 HydrophobicContact CE1-CB 3.63Å; Y579-L838 HydrophobicContact CE1-CD1 3.89Å; Y579-L838 HydrophobicContact CE1-CG 4.24Å; Y579-L838 HydrophobicContact CE2-CD1 3.97Å; Y579-L838 HydrophobicContact CG-CD1 3.83Å; Y579-L838 PolarHBondContact OH-N 3.41Å; I601-L838 HydrophobicContact CG2-CD2 3.9Å; N605-L838 HydrophobicContact CB-CD2 4.01Å; N605-L838 HydrophobicContact CB-CG 4.34Å; I834-L838 WeakPolarHBondContact O-CB 3.37Å; I834-L838 PolarHBondContact O-N 2.93Å; A835-L838 PolarHBondContact O-N 3Å; I836-L838 VanDerWaalsContact C-N 3.26Å; I836-L838 PolarHBondContact O-N 3.48Å; L838-L840 VanDerWaalsContact C-N 3.26Å; L838-L840 PolarHBondContact O-N 2.89Å; L838-L841 HydrophobicContact CD1-CD2 4.29Å; L838-L841 VanDerWaalsContact O-CB 3.3Å; L838-L841 WeakPolarHBondContact O-CB 3.48Å; L838-L841 PolarHBondContact O-N 3.37Å; L838-L841 VanDerWaalsContact O-N 3.15Å; L838-F842 HydrophobicContact CD1-CD2 4.03Å; L838-F842 HydrophobicContact CD1-CE2 3.62Å; L838-F842 HydrophobicContact CG-CD2 4.28Å; L838-F842 HydrophobicContact CG-CE2 4.07Å; L838-F842 VanDerWaalsContact O-CD2 3.29Å; L838-F842 WeakPolarHBondContact O-CD2 3.34Å; L838-F842 PolarHBondContact O-N 3.31Å; L838-W887 HydrophobicContact CD2-CE3 4.04Å; L838-W887 HydrophobicContact CD2-CH2 3.91Å; L838-W887 HydrophobicContact CD2-CZ3 3.53Å
839	S	95	Very high	92.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.6	-34.2	176.8	75.5	0	0	0	0	112.2	N605 Y612 A835 I836 F842 Y843	N605-S839 WeakPolarHBondContact OD1-CA 3.34Å; N605-S839 WeakPolarHBondContact OD1-CB 3.15Å; N605-S839 PolarHBondContact OD1-N 3.31Å; N605-S839 VanDerWaalsContact OD1-N 3.13Å; Y612-S839 PolarHBondContact OH-OG 3.24Å; A835-S839 VanDerWaalsContact O-CB 3.32Å; A835-S839 WeakPolarHBondContact O-CB 3.28Å; A835-S839 PolarHBondContact O-N 3.23Å; A835-S839 PolarHBondContact O-OG 2.72Å; I836-S839 PolarHBondContact O-N 3.35Å; I836-S839 PolarHBondContact O-OG 3.32Å; S839-F842 PolarHBondContact O-N 2.94Å; S839-Y843 VanDerWaalsContact O-CB 3.26Å; S839-Y843 WeakPolarHBondContact O-CB 3.31Å; S839-Y843 PolarHBondContact O-N 2.92Å
840	L	92.2	Very high	92.5	Very high	38 Å²	38	16.6 Å²	16.6	20%	0.199	11%	0.106	C	C	.	.	H	α-helix	trans	-68	-39.8	174.5	-168.9	64.1	0	0	0	111.2	I836 P837 L838 Y843 M844 P1030 V1031 V1034	I836-L840 PolarHBondContact O-N 2.86Å; I836-L840 VanDerWaalsContact O-N 3.07Å; P837-L840 PolarHBondContact O-N 3.37Å; L838-L840 VanDerWaalsContact C-N 3.26Å; L838-L840 PolarHBondContact O-N 2.89Å; L840-Y843 HydrophobicContact CD1-CD1 4.4Å; L840-Y843 PolarHBondContact O-N 2.92Å; L840-M844 HydrophobicContact CD1-CG 4.43Å; L840-M844 HydrophobicContact CG-CG 4.38Å; L840-M844 WeakPolarHBondContact O-CB 3.38Å; L840-M844 WeakPolarHBondContact O-CG 3.46Å; L840-M844 PolarHBondContact O-N 3.25Å; L840-P1030 HydrophobicContact CB-CB 4.05Å; L840-P1030 HydrophobicContact CD2-CB 4.05Å; L840-P1030 HydrophobicContact CG-CB 4.04Å; L840-V1031 HydrophobicContact CD2-CG2 4.07Å; L840-V1034 HydrophobicContact CD1-CG2 3.88Å; L840-V1034 HydrophobicContact CD2-CG2 3.82Å; L840-V1034 HydrophobicContact CG-CG2 4.1Å
841	L	91.8	Very high	92.2	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-57.3	-52.4	173.1	-179.3	69.1	0	0	0	110.7	P575 Y579 P837 L838 Y843 M844 E845 F1029 P1030	P575-L841 HydrophobicContact CB-CD1 4.28Å; P575-L841 HydrophobicContact CB-CD2 3.73Å; Y579-L841 HydrophobicContact CD2-CD2 4.36Å; Y579-L841 HydrophobicContact CE2-CD2 3.98Å; P837-L841 PolarHBondContact O-N 3.44Å; L838-L841 HydrophobicContact CD1-CD2 4.29Å; L838-L841 VanDerWaalsContact O-CB 3.3Å; L838-L841 WeakPolarHBondContact O-CB 3.48Å; L838-L841 PolarHBondContact O-N 3.37Å; L838-L841 VanDerWaalsContact O-N 3.15Å; L841-Y843 PolarHBondContact O-N 3.45Å; L841-M844 PolarHBondContact O-N 3.41Å; L841-E845 HydrophobicContact CD1-CG 4.05Å; L841-E845 WeakPolarHBondContact CD1-OE1 3.21Å; L841-E845 HydrophobicContact CG-CG 4.49Å; L841-E845 PolarHBondContact O-N 3.09Å; L841-F1029 HydrophobicContact CD1-CD1 4.48Å; L841-P1030 HydrophobicContact CB-CB 4.17Å; L841-P1030 HydrophobicContact CB-CG 3.64Å; L841-P1030 HydrophobicContact CD1-CG 3.99Å; L841-P1030 HydrophobicContact CG-CG 4.36Å
842	F	94.1	Very high	91.9	Very high	1 Å²	1	16.8 Å²	16.8	0%	0.004	10%	0.101	C	C	.	.	H	α-helix	trans	-60.4	-46.1	-179.7	-86	-122.7	0	0	0	111.4	L576 L609 L838 S839 M844 Q846 I873 N877 W887 H889	L576-F842 HydrophobicContact CD1-CZ 4.34Å; L576-F842 HydrophobicContact CD2-CE2 3.51Å; L576-F842 HydrophobicContact CD2-CZ 3.83Å; L576-F842 HydrophobicContact CG-CE2 4.43Å; L609-F842 HydrophobicContact CD1-CB 3.88Å; L609-F842 HydrophobicContact CD1-CD1 3.69Å; L609-F842 HydrophobicContact CD1-CG 4.07Å; L609-F842 HydrophobicContact CD2-CB 3.67Å; L609-F842 HydrophobicContact CG-CB 4.35Å; L838-F842 HydrophobicContact CD1-CD2 4.03Å; L838-F842 HydrophobicContact CD1-CE2 3.62Å; L838-F842 HydrophobicContact CG-CD2 4.28Å; L838-F842 HydrophobicContact CG-CE2 4.07Å; L838-F842 VanDerWaalsContact O-CD2 3.29Å; L838-F842 WeakPolarHBondContact O-CD2 3.34Å; L838-F842 PolarHBondContact O-N 3.31Å; S839-F842 PolarHBondContact O-N 2.94Å; F842-M844 PolarHBondContact O-N 3.26Å; F842-Q846 WeakPolarHBondContact O-CB 3.26Å; F842-Q846 PolarHBondContact O-N 3.19Å; F842-I873 HydrophobicContact CD1-CG2 4.21Å; F842-N877 WeakPolarHBondContact CE1-ND2 3.3Å; F842-W887 HydrophobicContact CE1-CB 4.34Å; F842-W887 HydrophobicContact CZ-CB 3.75Å; F842-W887 HydrophobicContact CZ-CG 4.45Å; F842-H889 HydrophobicContact CD1-CB 3.91Å; F842-H889 HydrophobicContact CE1-CB 4.04Å; F842-H889 AromaticContact CE2-CD2 3.86Å; F842-H889 HydrophobicContact CG-CB 4.4Å; F842-H889 AromaticContact CZ-CD2 3.86Å
843	Y	93.1	Very high	91.6	Very high	18 Å²	18	14.4 Å²	14.4	7%	0.071	9%	0.088	C	C	.	.	H	α-helix	trans	-58.7	-46.5	176.9	171.1	-93.5	0	0	0	111.7	Y612 F617 S839 L840 L841 N847 L870	Y612-Y843 HydrophobicContact CD2-CD2 4.09Å; Y612-Y843 HydrophobicContact CD2-CG 4.29Å; F617-Y843 HydrophobicContact CB-CE2 4.24Å; F617-Y843 PolarHBondContact O-OH 3.44Å; S839-Y843 VanDerWaalsContact O-CB 3.26Å; S839-Y843 WeakPolarHBondContact O-CB 3.31Å; S839-Y843 PolarHBondContact O-N 2.92Å; L840-Y843 HydrophobicContact CD1-CD1 4.4Å; L840-Y843 PolarHBondContact O-N 2.92Å; L841-Y843 PolarHBondContact O-N 3.45Å; Y843-N847 WeakPolarHBondContact CD2-ND2 3.44Å; Y843-N847 WeakPolarHBondContact CE2-ND2 3.48Å; Y843-N847 WeakPolarHBondContact O-CB 3.25Å; Y843-N847 PolarHBondContact O-N 2.87Å; Y843-N847 PolarHBondContact O-ND2 3.34Å; Y843-L870 HydrophobicContact CD2-CD2 4.05Å
844	M	89.4	Confident	91.4	Very high	5 Å²	5	14.1 Å²	14.1	3%	0.025	8%	0.076	C	C	.	.	H	α-helix	trans	-68.6	-52.5	-178	-72.6	-52.5	-55.3	0	0	111.6	L840 L841 F842 Q846 N847 I848 V1034 I1037	L840-M844 HydrophobicContact CD1-CG 4.43Å; L840-M844 HydrophobicContact CG-CG 4.38Å; L840-M844 WeakPolarHBondContact O-CB 3.38Å; L840-M844 WeakPolarHBondContact O-CG 3.46Å; L840-M844 PolarHBondContact O-N 3.25Å; L841-M844 PolarHBondContact O-N 3.41Å; F842-M844 PolarHBondContact O-N 3.26Å; M844-Q846 PolarHBondContact O-N 3.27Å; M844-N847 PolarHBondContact O-N 3.5Å; M844-I848 HydrophobicContact CE-CD1 3.89Å; M844-I848 HydrophobicContact CE-CG1 4.28Å; M844-I848 WeakPolarHBondContact O-CB 3.23Å; M844-I848 WeakPolarHBondContact O-CG1 3.42Å; M844-I848 PolarHBondContact O-N 3.33Å; M844-V1034 HydrophobicContact CG-CG2 4.34Å; M844-V1034 HydrophobicContact SD-CG2 4.05Å; M844-I1037 HydrophobicContact CE-CD1 3.32Å; M844-I1037 HydrophobicContact SD-CD1 4.39Å
845	E	90.8	Very high	90.9	Very high	12 Å²	12	13.8 Å²	13.8	6%	0.056	8%	0.075	C	C	.	.	H	α-helix	trans	-63.2	-42.5	-177.3	-68.8	-150.3	-164.6	0	0	112.1	F632 L841 N847 I848 A849 H889	F632-E845 HydrophobicContact CE1-CG 4.45Å; F632-E845 HydrophobicContact CZ-CG 3.93Å; L841-E845 HydrophobicContact CD1-CG 4.05Å; L841-E845 WeakPolarHBondContact CD1-OE1 3.21Å; L841-E845 HydrophobicContact CG-CG 4.49Å; L841-E845 PolarHBondContact O-N 3.09Å; E845-N847 PolarHBondContact O-N 3.24Å; E845-I848 PolarHBondContact O-N 3.35Å; E845-A849 VanDerWaalsContact O-CB 3.24Å; E845-A849 WeakPolarHBondContact O-CB 3.48Å; E845-A849 PolarHBondContact O-N 3.29Å; E845-H889 IonicContact OE2-CE1 2.86Å; E845-H889 PolarHBondContact OE2-CE1 3.01Å; E845-H889 IonicContact OE2-ND1 2.71Å; E845-H889 IonicContact OE2-NE2 2.73Å
846	Q	93.1	Very high	89.9	Confident	2 Å²	2	16 Å²	16	1%	0.009	9%	0.09	C	C	.	.	H	α-helix	trans	-60	-49.5	178	179.7	59.1	19.5	0	0	112.1	F842 M844 S850 L870 I873	F842-Q846 WeakPolarHBondContact O-CB 3.26Å; F842-Q846 PolarHBondContact O-N 3.19Å; M844-Q846 PolarHBondContact O-N 3.27Å; Q846-S850 WeakPolarHBondContact O-CB 3.4Å; Q846-S850 PolarHBondContact O-N 3.38Å; Q846-L870 HydrophobicContact CB-CD1 4.41Å; Q846-L870 HydrophobicContact CG-CD1 4.21Å; Q846-I873 HydrophobicContact CG-CD1 3.83Å
847	N	90.6	Very high	88.9	Confident	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-72.8	-35.2	-177.5	-73.4	-53.8	0	0	0	111.7	M621 Y843 M844 E845 S850 A851	M621-N847 HydrophobicContact CB-CB 4.47Å; M621-N847 HydrophobicContact CE-CB 3.32Å; M621-N847 HydrophobicContact CG-CB 3.85Å; M621-N847 HydrophobicContact SD-CB 3.6Å; M621-N847 VanDerWaalsContact SD-CB 3.6Å; Y843-N847 WeakPolarHBondContact CD2-ND2 3.44Å; Y843-N847 WeakPolarHBondContact CE2-ND2 3.48Å; Y843-N847 WeakPolarHBondContact O-CB 3.25Å; Y843-N847 PolarHBondContact O-N 2.87Å; Y843-N847 PolarHBondContact O-ND2 3.34Å; M844-N847 PolarHBondContact O-N 3.5Å; E845-N847 PolarHBondContact O-N 3.24Å; N847-S850 PolarHBondContact O-N 2.93Å; N847-A851 WeakPolarHBondContact O-CB 3.29Å; N847-A851 PolarHBondContact O-N 3.23Å
848	I	89.4	Confident	88.4	Confident	1 Å²	1	14.5 Å²	14.5	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-66.7	-46.8	177.2	-68.6	168.8	0	0	0	109.5	M621 E629 F632 M844 E845 S850 A851 I852 L892	M621-I848 HydrophobicContact CE-CB 4.07Å; M621-I848 HydrophobicContact CE-CG1 3.37Å; E629-I848 HydrophobicContact CG-CG2 4.33Å; F632-I848 HydrophobicContact CB-CD1 4.29Å; F632-I848 HydrophobicContact CB-CG2 4.37Å; F632-I848 HydrophobicContact CD1-CB 4.3Å; F632-I848 HydrophobicContact CD1-CD1 3.91Å; F632-I848 HydrophobicContact CD1-CG2 3.59Å; F632-I848 HydrophobicContact CD2-CD1 4.29Å; F632-I848 HydrophobicContact CE1-CD1 4.3Å; F632-I848 HydrophobicContact CE1-CG2 4.29Å; F632-I848 HydrophobicContact CG-CD1 3.89Å; F632-I848 HydrophobicContact CG-CG2 4.28Å; M844-I848 HydrophobicContact CE-CD1 3.89Å; M844-I848 HydrophobicContact CE-CG1 4.28Å; M844-I848 WeakPolarHBondContact O-CB 3.23Å; M844-I848 WeakPolarHBondContact O-CG1 3.42Å; M844-I848 PolarHBondContact O-N 3.33Å; E845-I848 PolarHBondContact O-N 3.35Å; I848-S850 VanDerWaalsContact C-N 3.27Å; I848-S850 PolarHBondContact O-N 3.22Å; I848-A851 PolarHBondContact O-N 3.37Å; I848-A851 VanDerWaalsContact O-N 3.16Å; I848-I852 HydrophobicContact CG2-CD1 3.76Å; I848-I852 HydrophobicContact CG2-CG1 4.4Å; I848-I852 WeakPolarHBondContact O-CG1 3.38Å; I848-I852 PolarHBondContact O-N 2.97Å; I848-L892 HydrophobicContact CG2-CD1 4.33Å
849	A	91.2	Very high	87.7	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-59.7	-40.7	177.2	0	0	0	0	0	111.5	L568 E845 L853 A890 L892	L568-A849 HydrophobicContact CD1-CB 4.05Å; E845-A849 VanDerWaalsContact O-CB 3.24Å; E845-A849 WeakPolarHBondContact O-CB 3.48Å; E845-A849 PolarHBondContact O-N 3.29Å; A849-L853 VanDerWaalsContact O-CB 3.32Å; A849-L853 WeakPolarHBondContact O-CB 3.13Å; A849-L853 PolarHBondContact O-N 3.46Å; A849-A890 HydrophobicContact CB-CB 3.7Å; A849-L892 HydrophobicContact CB-CD2 4.29Å
850	S	91.2	Very high	87.2	Confident	1 Å²	1	21.1 Å²	21.1	1%	0.007	12%	0.117	C	C	.	.	H	α-helix	trans	-67.4	-37.7	175.2	-176.8	0	0	0	0	113.4	Q565 Q846 N847 I848 L853 N854 N866	Q565-S850 PolarHBondContact NE2-OG 3.4Å; Q565-S850 PolarHBondContact OE1-OG 3.27Å; Q846-S850 WeakPolarHBondContact O-CB 3.4Å; Q846-S850 PolarHBondContact O-N 3.38Å; N847-S850 PolarHBondContact O-N 2.93Å; I848-S850 VanDerWaalsContact C-N 3.27Å; I848-S850 PolarHBondContact O-N 3.22Å; S850-L853 WeakPolarHBondContact O-CB 3.08Å; S850-L853 PolarHBondContact O-N 3.42Å; S850-N854 PolarHBondContact O-N 2.85Å; S850-N854 PolarHBondContact O-ND2 3.11Å; S850-N854 PolarHBondContact OG-ND2 3.36Å; S850-N866 PolarHBondContact OG-OD1 3.15Å
851	A	87.7	Confident	86.6	Confident	18 Å²	18	29.5 Å²	29.5	15%	0.149	15%	0.145	C	C	.	.	H	α-helix	trans	-65.2	-43.9	175.9	0	0	0	0	0	111.6	E629 N847 I848 L853 N854 S855	E629-A851 HydrophobicContact CG-CB 4.26Å; E629-A851 WeakPolarHBondContact OE1-CB 3.26Å; N847-A851 WeakPolarHBondContact O-CB 3.29Å; N847-A851 PolarHBondContact O-N 3.23Å; I848-A851 PolarHBondContact O-N 3.37Å; I848-A851 VanDerWaalsContact O-N 3.16Å; A851-L853 VanDerWaalsContact C-N 3.3Å; A851-L853 PolarHBondContact O-N 3.37Å; A851-N854 CarbonylContact O-C 3.59Å; A851-N854 PolarHBondContact O-N 2.87Å; A851-S855 PolarHBondContact O-N 3.29Å; A851-S855 VanDerWaalsContact O-N 3.09Å
852	I	86.7	Confident	86.2	Confident	27 Å²	27	30 Å²	30	14%	0.138	15%	0.148	C	C	.	.	H	α-helix	trans	-62.1	-40.3	175.2	-67.2	167.9	0	0	0	110.8	E629 A633 I848 S855 N858 L892 P896	E629-I852 HydrophobicContact CB-CD1 4.29Å; E629-I852 HydrophobicContact CB-CG1 3.92Å; E629-I852 HydrophobicContact CG-CG1 4.38Å; A633-I852 HydrophobicContact CB-CD1 4.48Å; I848-I852 HydrophobicContact CG2-CD1 3.76Å; I848-I852 HydrophobicContact CG2-CG1 4.4Å; I848-I852 WeakPolarHBondContact O-CG1 3.38Å; I848-I852 PolarHBondContact O-N 2.97Å; I852-S855 WeakPolarHBondContact O-CB 3.31Å; I852-S855 PolarHBondContact O-N 3.28Å; I852-S855 PolarHBondContact O-OG 3.29Å; I852-N858 PolarHBondContact O-ND2 3.14Å; I852-L892 HydrophobicContact CD1-CD1 3.61Å; I852-L892 HydrophobicContact CD1-CD2 3.96Å; I852-L892 HydrophobicContact CD1-CG 4.45Å; I852-P896 HydrophobicContact CG2-CB 4.11Å; I852-P896 HydrophobicContact CG2-CG 4.32Å
853	L	89.4	Confident	85.6	Confident	2 Å²	2	30.9 Å²	30.9	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-61.5	-48.3	176.2	172.6	56.4	0	0	0	111.5	Q565 L567 L568 A849 S850 A851 S855 N858 L860 T895 V899	Q565-L853 HydrophobicContact CB-CD2 4.12Å; Q565-L853 HydrophobicContact CG-CD2 4.37Å; Q565-L853 VanDerWaalsContact OE1-CD2 3.31Å; L567-L853 HydrophobicContact CB-CD1 3.66Å; L567-L853 HydrophobicContact CB-CD2 4.06Å; L567-L853 HydrophobicContact CD1-CD1 4.06Å; L568-L853 HydrophobicContact CB-CD2 4.17Å; L568-L853 HydrophobicContact CD1-CD2 4Å; A849-L853 VanDerWaalsContact O-CB 3.32Å; A849-L853 WeakPolarHBondContact O-CB 3.13Å; A849-L853 PolarHBondContact O-N 3.46Å; S850-L853 WeakPolarHBondContact O-CB 3.08Å; S850-L853 PolarHBondContact O-N 3.42Å; A851-L853 VanDerWaalsContact C-N 3.3Å; A851-L853 PolarHBondContact O-N 3.37Å; L853-S855 PolarHBondContact O-N 3.47Å; L853-N858 PolarHBondContact O-ND2 3.45Å; L853-L860 HydrophobicContact CD1-CD1 3.77Å; L853-L860 HydrophobicContact CG-CD1 4Å; L853-L860 VanDerWaalsContact O-CD1 3.23Å; L853-L860 WeakPolarHBondContact O-CD1 3.39Å; L853-T895 HydrophobicContact CB-CG2 3.89Å; L853-T895 HydrophobicContact CD1-CG2 4.42Å; L853-T895 HydrophobicContact CD2-CG2 4.27Å; L853-T895 HydrophobicContact CG-CG2 4.43Å; L853-V899 HydrophobicContact CD1-CG2 3.13Å
854	N	86.5	Confident	85.3	Confident	40 Å²	40	32.5 Å²	32.5	21%	0.214	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	19.6	-179.8	-62.7	-78.9	0	0	0	113.3	Q565 S850 A851 P864	Q565-N854 PolarHBondContact OE1-ND2 3.43Å; S850-N854 PolarHBondContact O-N 2.85Å; S850-N854 PolarHBondContact O-ND2 3.11Å; S850-N854 PolarHBondContact OG-ND2 3.36Å; A851-N854 CarbonylContact O-C 3.59Å; A851-N854 PolarHBondContact O-N 2.87Å; N854-P864 HydrophobicContact CB-CB 4.44Å
855	S	82.2	Confident	85.4	Confident	15 Å²	15	32.2 Å²	32.2	11%	0.105	17%	0.168	C	C	.	.			trans	-61.8	140.2	174.1	65.1	0	0	0	0	109.6	A851 I852 L853 S857 N858	A851-S855 PolarHBondContact O-N 3.29Å; A851-S855 VanDerWaalsContact O-N 3.09Å; I852-S855 WeakPolarHBondContact O-CB 3.31Å; I852-S855 PolarHBondContact O-N 3.28Å; I852-S855 PolarHBondContact O-OG 3.29Å; L853-S855 PolarHBondContact O-N 3.47Å; S855-S857 PolarHBondContact O-N 2.86Å; S855-S857 PolarHBondContact OG-OG 3.43Å; S855-S857 VanDerWaalsContact OG-OG 3.11Å; S855-N858 WeakPolarHBondContact O-CB 3.32Å; S855-N858 PolarHBondContact O-N 3.28Å; S855-N858 PolarHBondContact OG-ND2 3.34Å
856	P	73.2	Confident	85.3	Confident	48 Å²	48	33.1 Å²	33.1	31%	0.312	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-62	-22.6	-174.8	25.2	-37.3	0	0	0	113.2	N858 K859 F1060	P856-N858 PolarHBondContact O-N 3.1Å; P856-K859 PolarHBondContact O-N 3.43Å; P856-K859 VanDerWaalsContact O-N 3.16Å; P856-F1060 WeakPolarHBondContact CB-O 2.89Å; P856-F1060 HydrophobicContact CG-CB 4.39Å; P856-F1060 WeakPolarHBondContact CG-O 3.21Å
857	S	72.8	Confident	85.3	Confident	60 Å²	60	34 Å²	34	42%	0.42	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-61.4	-23.6	172.3	42.7	0	0	0	0	113.8	S855	S855-S857 PolarHBondContact O-N 2.86Å; S855-S857 PolarHBondContact OG-OG 3.43Å; S855-S857 VanDerWaalsContact OG-OG 3.11Å
858	N	82.9	Confident	85.4	Confident	16 Å²	16	36.2 Å²	36.2	9%	0.086	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-86.3	-8.8	179.2	-63.3	-19.7	0	0	0	113.2	I852 L853 S855 P856 L860 V899 I919 V922	I852-N858 PolarHBondContact O-ND2 3.14Å; L853-N858 PolarHBondContact O-ND2 3.45Å; S855-N858 WeakPolarHBondContact O-CB 3.32Å; S855-N858 PolarHBondContact O-N 3.28Å; S855-N858 PolarHBondContact OG-ND2 3.34Å; P856-N858 PolarHBondContact O-N 3.1Å; N858-L860 HydrophobicContact CB-CD2 4.45Å; N858-L860 HydrophobicContact CB-CG 4.11Å; N858-L860 PolarHBondContact O-N 3.29Å; N858-L860 VanDerWaalsContact O-N 3.1Å; N858-V899 HydrophobicContact CB-CG1 4.11Å; N858-I919 HydrophobicContact CB-CD1 4.48Å; N858-I919 WeakPolarHBondContact OD1-CD1 3.46Å; N858-V922 WeakPolarHBondContact O-CG2 3.29Å
859	K	78.5	Confident	85.7	Confident	104 Å²	104	36.1 Å²	36.1	45%	0.452	19%	0.186	S	C	.	.			trans	46.6	40.2	177.7	-59.8	-176.5	-174.5	160.8	0	114.3	P856 I919 I920	P856-K859 PolarHBondContact O-N 3.43Å; P856-K859 VanDerWaalsContact O-N 3.16Å; K859-I919 VanDerWaalsContact CD-O 3.26Å; K859-I919 WeakPolarHBondContact CD-O 3.1Å; K859-I919 WeakPolarHBondContact CE-O 3.33Å; K859-I919 PolarHBondContact NZ-O 3.45Å; K859-I920 WeakPolarHBondContact CD-O 3.45Å
860	L	85.3	Confident	85.9	Confident	35 Å²	35	36.2 Å²	36.2	18%	0.183	19%	0.186	C	C	.	.			trans	-70.1	138.7	176.7	-58.5	-176.5	0	0	0	110.6	L567 L853 N858 V922 E924	L567-L860 HydrophobicContact CD1-CD1 4.45Å; L567-L860 HydrophobicContact CD1-CD2 3.82Å; L853-L860 HydrophobicContact CD1-CD1 3.77Å; L853-L860 HydrophobicContact CG-CD1 4Å; L853-L860 VanDerWaalsContact O-CD1 3.23Å; L853-L860 WeakPolarHBondContact O-CD1 3.39Å; N858-L860 HydrophobicContact CB-CD2 4.45Å; N858-L860 HydrophobicContact CB-CG 4.11Å; N858-L860 PolarHBondContact O-N 3.29Å; N858-L860 VanDerWaalsContact O-N 3.1Å; L860-V922 HydrophobicContact CD2-CB 3.82Å; L860-V922 HydrophobicContact CD2-CG1 4.03Å; L860-V922 HydrophobicContact CD2-CG2 4.08Å; L860-E924 HydrophobicContact CD2-CG 3.93Å
861	R	79.7	Confident	86.1	Confident	213 Å²	213	38.4 Å²	38.4	80%	0.804	20%	0.195	S	C	*	.	S	Bend	trans	-95.1	-30.9	-174.3	-63	-178.6	176.7	-159.6	-4.9	112.9	E924	R861-E924 PolarHBondContact N-OE1 3.23Å
862	K	83.1	Confident	86.6	Confident	12 Å²	12	37.7 Å²	37.7	5%	0.052	19%	0.189	C	C	.	.	S	Bend	trans	-87	-6.1	-170.4	-54.5	171.9	-172.3	175.4	0	113.6	R491 K492 Y495 D499 E502 E924	R491-K862 PolarHBondContact NH1-O 3.04Å; R491-K862 VanDerWaalsContact NH1-O 3.13Å; K492-K862 WeakPolarHBondContact CE-O 3.49Å; K492-K862 PolarHBondContact NZ-O 3.23Å; Y495-K862 HydrophobicContact CD1-CG 4.3Å; Y495-K862 HydrophobicContact CG-CG 4.27Å; D499-K862 WeakPolarHBondContact OD1-CD 3.37Å; D499-K862 VanDerWaalsContact OD1-CE 3.28Å; D499-K862 WeakPolarHBondContact OD1-CE 3.25Å; D499-K862 IonicContact OD1-NZ 3.97Å; D499-K862 PolarHBondContact OD1-NZ 3.27Å; E502-K862 VanDerWaalsContact OE2-CE 3.3Å; E502-K862 WeakPolarHBondContact OE2-CE 3.25Å; E502-K862 IonicContact OE2-NZ 3.59Å; E502-K862 PolarHBondContact OE2-NZ 3.45Å; K862-E924 VanDerWaalsContact CB-OE2 3.32Å; K862-E924 WeakPolarHBondContact CB-OE2 3.41Å; K862-E924 HydrophobicContact CD-CB 3.92Å; K862-E924 WeakPolarHBondContact CG-OE2 3.4Å; K862-E924 PolarHBondContact N-OE1 3.18Å; K862-E924 PolarHBondContact NZ-O 3.44Å
863	G	80.1	Confident	87	Confident	19 Å²	19	36.5 Å²	36.5	20%	0.196	18%	0.183	C	C	.	.			trans	68.3	177.5	178	0	0	0	0	0	115.6	K492	K492-G863 VanDerWaalsContact CE-O 3.25Å; K492-G863 WeakPolarHBondContact CE-O 3.35Å; K492-G863 PolarHBondContact NZ-O 3.33Å
864	P	88	Confident	87.4	Confident	52 Å²	52	36.4 Å²	36.4	34%	0.338	18%	0.183	S	C	.	.			trans	-71.8	175.6	-178.6	27.3	-34.3	0	0	0	112.7	R491 K492 N854 N866	R491-P864 PolarHBondContact NH1-O 3.15Å; R491-P864 PolarHBondContact NH2-O 3.25Å; K492-P864 WeakPolarHBondContact CE-O 3.48Å; N854-P864 HydrophobicContact CB-CB 4.44Å; P864-N866 WeakPolarHBondContact CB-OD1 3.48Å
865	S	90.3	Very high	88	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.			trans	-154.7	47.5	170.2	48.2	0	0	0	0	111.7	G564 Q565 H867 W868 D869	G564-S865 VanDerWaalsContact CA-OG 3.26Å; G564-S865 WeakPolarHBondContact CA-OG 3.47Å; G564-S865 PolarHBondContact O-OG 3.23Å; Q565-S865 WeakPolarHBondContact CG-OG 3.32Å; Q565-S865 PolarHBondContact N-OG 3.15Å; S865-H867 VanDerWaalsContact C-N 3.32Å; S865-H867 PolarHBondContact O-N 2.87Å; S865-W868 PolarHBondContact O-N 3.18Å; S865-D869 PolarHBondContact O-N 3.38Å; S865-D869 VanDerWaalsContact O-OD2 3.05Å; S865-D869 PolarHBondContact OG-OD1 3.18Å; S865-D869 PolarHBondContact OG-OD2 3.16Å
866	N	89.7	Confident	88.7	Confident	31 Å²	31	37.6 Å²	37.6	17%	0.166	19%	0.188	C	C	.	.	H	α-helix	trans	-62.2	-32.9	-163.2	-56.8	-0.2	0	0	0	114.1	D488 Q565 S850 P864 L870	D488-N866 PolarHBondContact OD2-N 2.84Å; Q565-N866 PolarHBondContact NE2-OD1 2.87Å; S850-N866 PolarHBondContact OG-OD1 3.15Å; P864-N866 WeakPolarHBondContact CB-OD1 3.48Å; N866-L870 VanDerWaalsContact O-CB 3.3Å; N866-L870 WeakPolarHBondContact O-CB 3.09Å; N866-L870 PolarHBondContact O-N 2.75Å
867	H	92	Very high	89.8	Confident	21 Å²	21	35.3 Å²	35.3	10%	0.097	17%	0.173	C	C	.	.	H	α-helix	trans	-73.3	-46.1	179.6	-53.7	88.5	0	0	0	110.3	I485 D488 S613 S865 L870 F871	I485-H867 HydrophobicContact CG1-CB 4.07Å; D488-H867 WeakPolarHBondContact OD2-CB 2.93Å; D488-H867 IonicContact OD2-CG 2.73Å; D488-H867 PolarHBondContact OD2-N 3.38Å; D488-H867 IonicContact OD2-ND1 2.63Å; D488-H867 PolarHBondContact OD2-ND1 3.07Å; S613-H867 PolarHBondContact OG-O 3.16Å; S865-H867 VanDerWaalsContact C-N 3.32Å; S865-H867 PolarHBondContact O-N 2.87Å; H867-L870 PolarHBondContact O-N 3.48Å; H867-F871 PolarHBondContact O-N 3.05Å
868	W	94.3	Very high	91	Very high	45 Å²	45	34.6 Å²	34.6	17%	0.17	16%	0.164	C	C	.	.	H	α-helix	trans	-63.4	-45.6	178.4	176.3	-110.3	0	0	0	111.6	I485 D488 L489 F562 S865 L870 F871 V872	I485-W868 HydrophobicContact CG2-CE3 3.76Å; I485-W868 HydrophobicContact CG2-CZ3 4.31Å; D488-W868 HydrophobicContact CB-CB 4.04Å; L489-W868 HydrophobicContact CD1-CD2 4.16Å; L489-W868 HydrophobicContact CD1-CE3 4.42Å; L489-W868 HydrophobicContact CD1-CH2 4.34Å; L489-W868 HydrophobicContact CD1-CZ2 4.11Å; L489-W868 HydrophobicContact CD1-CZ3 4.49Å; F562-W868 WeakPolarHBondContact O-CZ2 3.39Å; F562-W868 PolarHBondContact O-NE1 2.85Å; S865-W868 PolarHBondContact O-N 3.18Å; W868-L870 VanDerWaalsContact C-N 3.31Å; W868-L870 PolarHBondContact O-N 3Å; W868-F871 HydrophobicContact CE3-CD1 4.06Å; W868-F871 AromaticContact CZ3-CD1 3.73Å; W868-F871 HydrophobicContact CZ3-CD1 3.73Å; W868-F871 HydrophobicContact CZ3-CE1 4.15Å; W868-F871 WeakPolarHBondContact O-CB 3.31Å; W868-F871 PolarHBondContact O-N 3.38Å; W868-F871 VanDerWaalsContact O-N 3.13Å; W868-V872 HydrophobicContact CD2-CG2 3.89Å; W868-V872 VanDerWaalsContact CE2-CG2 3.45Å; W868-V872 HydrophobicContact CE3-CG2 4.35Å; W868-V872 HydrophobicContact CG-CG2 4.37Å; W868-V872 HydrophobicContact CH2-CG2 4.16Å; W868-V872 HydrophobicContact CZ2-CG2 3.61Å; W868-V872 HydrophobicContact CZ3-CG2 4.49Å; W868-V872 WeakPolarHBondContact O-CG2 3.36Å; W868-V872 PolarHBondContact O-N 2.86Å
869	D	94.9	Very high	91.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.6	-40.3	179.2	-62.3	-32	0	0	0	111.6	Y559 G564 Q565 S865 V872 I873	Y559-D869 HydrophobicContact CE2-CB 4.33Å; Y559-D869 PolarHBondContact OH-OD1 3.42Å; G564-D869 VanDerWaalsContact CA-OD1 3.28Å; G564-D869 WeakPolarHBondContact CA-OD1 3.42Å; G564-D869 PolarHBondContact N-OD1 3.17Å; Q565-D869 WeakPolarHBondContact CB-OD2 3.37Å; Q565-D869 WeakPolarHBondContact CG-OD2 3.36Å; Q565-D869 PolarHBondContact N-OD1 3.16Å; Q565-D869 VanDerWaalsContact N-OD1 3.16Å; Q565-D869 PolarHBondContact NE2-OD2 3.05Å; S865-D869 PolarHBondContact O-N 3.38Å; S865-D869 VanDerWaalsContact O-OD2 3.05Å; S865-D869 PolarHBondContact OG-OD1 3.18Å; S865-D869 PolarHBondContact OG-OD2 3.16Å; D869-V872 PolarHBondContact O-N 3.03Å; D869-I873 WeakPolarHBondContact O-CB 3.49Å; D869-I873 VanDerWaalsContact O-CG1 3.32Å; D869-I873 WeakPolarHBondContact O-CG1 3.34Å; D869-I873 PolarHBondContact O-N 3.47Å
870	L	95.1	Very high	92.4	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-63.9	-40.1	175.6	-169.1	67.6	0	0	0	112.1	L609 Y843 Q846 N866 H867 W868 A874	L609-L870 HydrophobicContact CD2-CD1 3.8Å; Y843-L870 HydrophobicContact CD2-CD2 4.05Å; Q846-L870 HydrophobicContact CB-CD1 4.41Å; Q846-L870 HydrophobicContact CG-CD1 4.21Å; N866-L870 VanDerWaalsContact O-CB 3.3Å; N866-L870 WeakPolarHBondContact O-CB 3.09Å; N866-L870 PolarHBondContact O-N 2.75Å; H867-L870 PolarHBondContact O-N 3.48Å; W868-L870 VanDerWaalsContact C-N 3.31Å; W868-L870 PolarHBondContact O-N 3Å; L870-A874 PolarHBondContact O-N 2.93Å; L870-A874 VanDerWaalsContact O-N 3.07Å
871	F	96.6	Very high	93	Very high	47 Å²	47	30.8 Å²	30.8	21%	0.206	15%	0.147	C	C	.	.	H	α-helix	trans	-65.4	-45.5	176.3	-176.7	-106.2	0	0	0	111.8	I485 I610 S613 H867 W868 I873 A874 L875	I485-F871 HydrophobicContact CD1-CB 4.27Å; I485-F871 HydrophobicContact CD1-CD2 4.08Å; I485-F871 HydrophobicContact CD1-CG 4.19Å; I610-F871 HydrophobicContact CG1-CD2 4.27Å; I610-F871 HydrophobicContact CG1-CE2 4.25Å; I610-F871 HydrophobicContact CG2-CD2 4.49Å; I610-F871 HydrophobicContact CG2-CE2 4.23Å; S613-F871 WeakPolarHBondContact OG-CB 3.35Å; H867-F871 PolarHBondContact O-N 3.05Å; W868-F871 HydrophobicContact CE3-CD1 4.06Å; W868-F871 AromaticContact CZ3-CD1 3.73Å; W868-F871 HydrophobicContact CZ3-CD1 3.73Å; W868-F871 HydrophobicContact CZ3-CE1 4.15Å; W868-F871 WeakPolarHBondContact O-CB 3.31Å; W868-F871 PolarHBondContact O-N 3.38Å; W868-F871 VanDerWaalsContact O-N 3.13Å; F871-I873 VanDerWaalsContact C-N 3.35Å; F871-I873 PolarHBondContact O-N 3.24Å; F871-A874 WeakPolarHBondContact O-CB 3.36Å; F871-A874 PolarHBondContact O-N 3.35Å; F871-A874 VanDerWaalsContact O-N 3.17Å; F871-L875 HydrophobicContact CD1-CD1 4.03Å; F871-L875 HydrophobicContact CD1-CG 4.47Å; F871-L875 HydrophobicContact CE1-CD1 3.53Å; F871-L875 HydrophobicContact CE1-CG 4.15Å; F871-L875 HydrophobicContact CZ-CD1 4.02Å; F871-L875 HydrophobicContact CZ-CD2 4.34Å; F871-L875 HydrophobicContact CZ-CG 4.29Å; F871-L875 PolarHBondContact O-N 3.01Å
872	V	96.6	Very high	93.6	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.024	12%	0.123	C	C	.	.	H	α-helix	trans	-61.3	-44	178.2	171.7	0	0	0	0	110.9	Y559 F562 W868 D869 A874 L875 I876	Y559-V872 HydrophobicContact CD2-CG1 3.98Å; F562-V872 HydrophobicContact CB-CG1 3.95Å; F562-V872 HydrophobicContact CB-CG2 4.27Å; W868-V872 HydrophobicContact CD2-CG2 3.89Å; W868-V872 VanDerWaalsContact CE2-CG2 3.45Å; W868-V872 HydrophobicContact CE3-CG2 4.35Å; W868-V872 HydrophobicContact CG-CG2 4.37Å; W868-V872 HydrophobicContact CH2-CG2 4.16Å; W868-V872 HydrophobicContact CZ2-CG2 3.61Å; W868-V872 HydrophobicContact CZ3-CG2 4.49Å; W868-V872 WeakPolarHBondContact O-CG2 3.36Å; W868-V872 PolarHBondContact O-N 2.86Å; D869-V872 PolarHBondContact O-N 3.03Å; V872-A874 VanDerWaalsContact C-N 3.29Å; V872-A874 PolarHBondContact O-N 2.94Å; V872-L875 PolarHBondContact O-N 3.36Å; V872-I876 HydrophobicContact CG1-CD1 3.74Å; V872-I876 HydrophobicContact CG1-CG1 4.37Å; V872-I876 VanDerWaalsContact O-CG1 3.29Å; V872-I876 WeakPolarHBondContact O-CG1 3.32Å; V872-I876 PolarHBondContact O-N 3.39Å
873	I	96.7	Very high	94.1	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-63	-37.4	176.4	-73.2	169.6	0	0	0	111.5	Y559 L570 F842 Q846 D869 F871 I876 N877	Y559-I873 HydrophobicContact CD2-CG1 4.12Å; Y559-I873 HydrophobicContact CE2-CD1 4.29Å; Y559-I873 HydrophobicContact CE2-CG1 4.18Å; L570-I873 HydrophobicContact CD1-CG1 4.45Å; L570-I873 HydrophobicContact CD2-CD1 3.79Å; L570-I873 HydrophobicContact CD2-CG1 4.12Å; F842-I873 HydrophobicContact CD1-CG2 4.21Å; Q846-I873 HydrophobicContact CG-CD1 3.83Å; D869-I873 WeakPolarHBondContact O-CB 3.49Å; D869-I873 VanDerWaalsContact O-CG1 3.32Å; D869-I873 WeakPolarHBondContact O-CG1 3.34Å; D869-I873 PolarHBondContact O-N 3.47Å; F871-I873 VanDerWaalsContact C-N 3.35Å; F871-I873 PolarHBondContact O-N 3.24Å; I873-I876 PolarHBondContact O-N 2.89Å; I873-N877 VanDerWaalsContact CG2-ND2 3.32Å; I873-N877 WeakPolarHBondContact CG2-ND2 3.35Å; I873-N877 WeakPolarHBondContact O-CB 3.39Å; I873-N877 PolarHBondContact O-N 3.45Å; I873-N877 PolarHBondContact O-ND2 2.92Å
874	A	97.7	Very high	94.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.7	-45.9	175.1	0	0	0	0	0	111.5	S606 L609 I610 L870 F871 V872 N877 I878	S606-A874 WeakPolarHBondContact CB-O 3.39Å; S606-A874 PolarHBondContact OG-O 3.46Å; L609-A874 HydrophobicContact CB-CB 3.67Å; L609-A874 HydrophobicContact CD1-CB 4.48Å; I610-A874 HydrophobicContact CD1-CB 4.43Å; I610-A874 HydrophobicContact CG1-CB 3.67Å; L870-A874 PolarHBondContact O-N 2.93Å; L870-A874 VanDerWaalsContact O-N 3.07Å; F871-A874 WeakPolarHBondContact O-CB 3.36Å; F871-A874 PolarHBondContact O-N 3.35Å; F871-A874 VanDerWaalsContact O-N 3.17Å; V872-A874 VanDerWaalsContact C-N 3.29Å; V872-A874 PolarHBondContact O-N 2.94Å; A874-N877 PolarHBondContact O-N 3.39Å; A874-I878 WeakPolarHBondContact O-CG1 3.46Å; A874-I878 PolarHBondContact O-N 3.31Å
875	L	97.7	Very high	95	Very high	75 Å²	75	22.9 Å²	22.9	39%	0.393	11%	0.111	S	C	.	.	H	α-helix	trans	-63.1	-44.2	177	-66.7	-178.1	0	0	0	112.6	F871 V872 N877 I878 I879	F871-L875 HydrophobicContact CD1-CD1 4.03Å; F871-L875 HydrophobicContact CD1-CG 4.47Å; F871-L875 HydrophobicContact CE1-CD1 3.53Å; F871-L875 HydrophobicContact CE1-CG 4.15Å; F871-L875 HydrophobicContact CZ-CD1 4.02Å; F871-L875 HydrophobicContact CZ-CD2 4.34Å; F871-L875 HydrophobicContact CZ-CG 4.29Å; F871-L875 PolarHBondContact O-N 3.01Å; V872-L875 PolarHBondContact O-N 3.36Å; L875-N877 VanDerWaalsContact C-N 3.32Å; L875-N877 PolarHBondContact O-N 3.14Å; L875-I878 HydrophobicContact CD2-CD1 4.31Å; L875-I878 WeakPolarHBondContact O-CB 3.48Å; L875-I878 PolarHBondContact O-N 3.13Å; L875-I879 PolarHBondContact O-N 3.15Å
876	I	97.3	Very high	95.2	Very high	6 Å²	6	22.9 Å²	22.9	3%	0.031	11%	0.111	C	C	.	.	H	α-helix	trans	-57.9	-48.2	175.9	-71.1	168.8	0	0	0	110	C558 Y559 L570 V872 I873 I878 I879 L880 V888	C558-I876 HydrophobicContact CB-CD1 3.86Å; C558-I876 HydrophobicContact CB-CG1 3.71Å; Y559-I876 HydrophobicContact CD2-CD1 4.3Å; L570-I876 HydrophobicContact CD1-CD1 4.29Å; V872-I876 HydrophobicContact CG1-CD1 3.74Å; V872-I876 HydrophobicContact CG1-CG1 4.37Å; V872-I876 VanDerWaalsContact O-CG1 3.29Å; V872-I876 WeakPolarHBondContact O-CG1 3.32Å; V872-I876 PolarHBondContact O-N 3.39Å; I873-I876 PolarHBondContact O-N 2.89Å; I876-I878 VanDerWaalsContact C-N 3.29Å; I876-I878 PolarHBondContact O-N 3.42Å; I876-I879 WeakPolarHBondContact O-CB 3.37Å; I876-I879 PolarHBondContact O-N 3.27Å; I876-I879 VanDerWaalsContact O-N 3.1Å; I876-L880 HydrophobicContact CG2-CD1 3.84Å; I876-L880 HydrophobicContact CG2-CG 4.3Å; I876-L880 WeakPolarHBondContact O-CG 3.34Å; I876-L880 PolarHBondContact O-N 3.38Å; I876-V888 HydrophobicContact CG2-CG2 4.21Å
877	N	97.3	Very high	95.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-71.4	-20.6	-178.5	-73.3	-62.6	0	0	0	113.6	S606 F842 I873 A874 L875 S881 W887 V888	S606-N877 WeakPolarHBondContact OG-CB 3.34Å; F842-N877 WeakPolarHBondContact CE1-ND2 3.3Å; I873-N877 VanDerWaalsContact CG2-ND2 3.32Å; I873-N877 WeakPolarHBondContact CG2-ND2 3.35Å; I873-N877 WeakPolarHBondContact O-CB 3.39Å; I873-N877 PolarHBondContact O-N 3.45Å; I873-N877 PolarHBondContact O-ND2 2.92Å; A874-N877 PolarHBondContact O-N 3.39Å; L875-N877 VanDerWaalsContact C-N 3.32Å; L875-N877 PolarHBondContact O-N 3.14Å; N877-S881 WeakPolarHBondContact O-CB 3.22Å; N877-S881 PolarHBondContact O-N 2.95Å; N877-S881 PolarHBondContact O-OG 2.97Å; N877-W887 VanDerWaalsContact OD1-CA 3.3Å; N877-W887 WeakPolarHBondContact OD1-CA 3.12Å; N877-W887 VanDerWaalsContact OD1-CB 3.26Å; N877-W887 WeakPolarHBondContact OD1-CB 3.16Å; N877-V888 PolarHBondContact ND2-O 3.46Å; N877-V888 PolarHBondContact OD1-N 2.93Å; N877-V888 PolarHBondContact OD1-O 3.49Å
878	I	97.6	Very high	95.7	Very high	45 Å²	45	20.5 Å²	20.5	23%	0.231	10%	0.099	C	C	.	.	H	α-helix	trans	-62.4	-49.5	166.8	-71.1	168	0	0	0	109.5	L603 S606 I610 A874 L875 I876 L880 S881 I882	L603-I878 HydrophobicContact CD2-CB 4.45Å; L603-I878 HydrophobicContact CD2-CG1 4.38Å; L603-I878 HydrophobicContact CD2-CG2 3.99Å; S606-I878 VanDerWaalsContact CB-CG1 3.44Å; S606-I878 PolarHBondContact OG-N 2.99Å; I610-I878 HydrophobicContact CD1-CD1 3.95Å; A874-I878 WeakPolarHBondContact O-CG1 3.46Å; A874-I878 PolarHBondContact O-N 3.31Å; L875-I878 HydrophobicContact CD2-CD1 4.31Å; L875-I878 WeakPolarHBondContact O-CB 3.48Å; L875-I878 PolarHBondContact O-N 3.13Å; I876-I878 VanDerWaalsContact C-N 3.29Å; I876-I878 PolarHBondContact O-N 3.42Å; I878-L880 PolarHBondContact O-N 3.29Å; I878-S881 PolarHBondContact O-N 2.86Å; I878-I882 HydrophobicContact CG2-CD1 3.78Å; I878-I882 HydrophobicContact CG2-CG1 4.49Å; I878-I882 VanDerWaalsContact O-CG1 3.28Å; I878-I882 WeakPolarHBondContact O-CG1 3.32Å; I878-I882 PolarHBondContact O-N 3.43Å
879	I	95.6	Very high	95.8	Very high	74 Å²	74	18.4 Å²	18.4	38%	0.379	9%	0.091	S	C	.	.	H	α-helix	trans	-60.5	-48.6	179.3	-61.1	169.2	0	0	0	110	L875 I876 S881 I882 F883	L875-I879 PolarHBondContact O-N 3.15Å; I876-I879 WeakPolarHBondContact O-CB 3.37Å; I876-I879 PolarHBondContact O-N 3.27Å; I876-I879 VanDerWaalsContact O-N 3.1Å; I879-S881 VanDerWaalsContact C-N 3.32Å; I879-S881 PolarHBondContact O-N 2.86Å; I879-I882 PolarHBondContact O-N 3.08Å; I879-F883 HydrophobicContact CG2-CD2 4.04Å; I879-F883 HydrophobicContact CG2-CE2 4.07Å; I879-F883 VanDerWaalsContact O-CD2 3.25Å; I879-F883 WeakPolarHBondContact O-CD2 3.4Å; I879-F883 PolarHBondContact O-N 3.3Å
880	L	95.9	Very high	95.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.3	-39.3	178.6	-62.4	175.8	0	0	0	112.2	I554 I876 I878 F883 C884 L885 V888	I554-L880 HydrophobicContact CB-CD2 4.16Å; I554-L880 HydrophobicContact CG2-CD2 4.09Å; I876-L880 HydrophobicContact CG2-CD1 3.84Å; I876-L880 HydrophobicContact CG2-CG 4.3Å; I876-L880 WeakPolarHBondContact O-CG 3.34Å; I876-L880 PolarHBondContact O-N 3.38Å; I878-L880 PolarHBondContact O-N 3.29Å; L880-F883 CarbonylContact O-C 3.49Å; L880-F883 PolarHBondContact O-N 3.42Å; L880-C884 PolarHBondContact O-N 3.42Å; L880-C884 VanDerWaalsContact O-N 3.08Å; L880-L885 HydrophobicContact CB-CB 4.26Å; L880-L885 HydrophobicContact CD2-CB 3.88Å; L880-L885 HydrophobicContact CD2-CD1 3.93Å; L880-L885 PolarHBondContact O-N 3.28Å; L880-V888 HydrophobicContact CD1-CG2 3.9Å
881	S	96.1	Very high	95.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-66.7	-41.4	178.1	-59.9	0	0	0	0	112.5	A599 G602 N877 I878 I879 F883 C884 W887	A599-S881 VanDerWaalsContact CB-O 3.22Å; A599-S881 WeakPolarHBondContact CB-O 3.31Å; G602-S881 VanDerWaalsContact CA-OG 3.3Å; G602-S881 WeakPolarHBondContact CA-OG 3.42Å; N877-S881 WeakPolarHBondContact O-CB 3.22Å; N877-S881 PolarHBondContact O-N 2.95Å; N877-S881 PolarHBondContact O-OG 2.97Å; I878-S881 PolarHBondContact O-N 2.86Å; I879-S881 VanDerWaalsContact C-N 3.32Å; I879-S881 PolarHBondContact O-N 2.86Å; S881-F883 PolarHBondContact O-N 3.19Å; S881-C884 PolarHBondContact O-N 3.42Å; S881-C884 VanDerWaalsContact O-N 3.13Å; S881-W887 PolarHBondContact OG-NE1 3.46Å
882	I	94	Very high	95.3	Very high	55 Å²	55	16.8 Å²	16.8	28%	0.282	8%	0.084	S	C	.	.	H	α-helix	trans	-60	-37	178.9	-70.9	166.8	0	0	0	111.4	L603 K817 A818 I878 I879	L603-I882 HydrophobicContact CD2-CG1 4.38Å; K817-I882 HydrophobicContact CG-CG2 4.08Å; A818-I882 PolarHBondContact N-O 2.96Å; I878-I882 HydrophobicContact CG2-CD1 3.78Å; I878-I882 HydrophobicContact CG2-CG1 4.49Å; I878-I882 VanDerWaalsContact O-CG1 3.28Å; I878-I882 WeakPolarHBondContact O-CG1 3.32Å; I878-I882 PolarHBondContact O-N 3.43Å; I879-I882 PolarHBondContact O-N 3.08Å
883	F	93.3	Very high	94.9	Very high	72 Å²	72	16.8 Å²	16.8	32%	0.316	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	7.6	179.7	-65.5	-63.2	0	0	0	114.2	L815 I879 L880 S881 L885	L815-F883 HydrophobicContact CD2-CB 3.66Å; L815-F883 HydrophobicContact CD2-CD1 3.1Å; L815-F883 HydrophobicContact CD2-CD2 4.25Å; L815-F883 HydrophobicContact CD2-CE1 3.7Å; L815-F883 HydrophobicContact CD2-CG 3.41Å; L815-F883 VanDerWaalsContact CD2-CG 3.41Å; L815-F883 HydrophobicContact CD2-CZ 4.49Å; I879-F883 HydrophobicContact CG2-CD2 4.04Å; I879-F883 HydrophobicContact CG2-CE2 4.07Å; I879-F883 VanDerWaalsContact O-CD2 3.25Å; I879-F883 WeakPolarHBondContact O-CD2 3.4Å; I879-F883 PolarHBondContact O-N 3.3Å; L880-F883 CarbonylContact O-C 3.49Å; L880-F883 PolarHBondContact O-N 3.42Å; S881-F883 PolarHBondContact O-N 3.19Å; F883-L885 HydrophobicContact CB-CD1 4.24Å; F883-L885 HydrophobicContact CB-CG 4.16Å; F883-L885 PolarHBondContact O-N 2.84Å
884	C	92.3	Very high	94.7	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.014	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	42.7	-177.8	-61	0	0	0	0	113.3	Y595 Y598 A818 L880 S881	Y595-C884 HydrophobicContact CD1-CB 3.7Å; Y595-C884 HydrophobicContact CE1-CB 4.36Å; Y595-C884 HydrophobicContact CG-CB 4.47Å; Y595-C884 PolarHBondContact O-SG 2.95Å; Y598-C884 HydrophobicContact CD1-CB 4.46Å; A818-C884 WeakPolarHBondContact CB-SG 3.45Å; L880-C884 PolarHBondContact O-N 3.42Å; L880-C884 VanDerWaalsContact O-N 3.08Å; S881-C884 PolarHBondContact O-N 3.42Å; S881-C884 VanDerWaalsContact O-N 3.13Å
885	L	94.2	Very high	94.5	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	9%	0.085	C	C	.	.	P	Polyproline II helix	trans	-94.8	151.1	172.1	-64.3	174.9	0	0	0	110	R547 M550 I554 Y598 L880 F883 W887	R547-L885 HydrophobicContact CB-CD2 4.15Å; R547-L885 HydrophobicContact CG-CD2 4.42Å; M550-L885 HydrophobicContact CB-CD2 4.19Å; I554-L885 HydrophobicContact CD1-CD1 3.67Å; Y598-L885 WeakPolarHBondContact CE1-O 3.38Å; Y598-L885 PolarHBondContact OH-O 3.08Å; L880-L885 HydrophobicContact CB-CB 4.26Å; L880-L885 HydrophobicContact CD2-CB 3.88Å; L880-L885 HydrophobicContact CD2-CD1 3.93Å; L880-L885 PolarHBondContact O-N 3.28Å; F883-L885 HydrophobicContact CB-CD1 4.24Å; F883-L885 HydrophobicContact CB-CG 4.16Å; F883-L885 PolarHBondContact O-N 2.84Å; L885-W887 PolarHBondContact O-N 3.31Å
886	P	94.3	Very high	94.1	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.006	7%	0.074	C	C	.	.	P	Polyproline II helix	trans	-52.6	131.9	172	-32.7	43	0	0	0	111.8	M543 R547 V548 Y598	M543-P886 HydrophobicContact CE-CG 4.32Å; M543-P886 HydrophobicContact CG-CG 4.13Å; M543-P886 HydrophobicContact SD-CG 3.45Å; M543-P886 WeakPolarHBondContact SD-CG 3.41Å; R547-P886 WeakPolarHBondContact O-CD 3.34Å; V548-P886 HydrophobicContact CB-CG 4.19Å; V548-P886 HydrophobicContact CG2-CB 4.16Å; V548-P886 HydrophobicContact CG2-CG 3.58Å; Y598-P886 VanDerWaalsContact OH-CA 3.24Å; Y598-P886 WeakPolarHBondContact OH-CA 3.24Å
887	W	96.5	Very high	93.8	Very high	1 Å²	1	14.8 Å²	14.8	0%	0.004	8%	0.076	C	C	.	.	P	Polyproline II helix	trans	-70	157.5	176.4	-52.9	-51.1	0	0	0	111.6	L576 I583 Y598 I601 G602 L838 F842 N877 S881 L885	L576-W887 HydrophobicContact CD1-CB 4.42Å; L576-W887 WeakPolarHBondContact CD1-O 3.29Å; L576-W887 HydrophobicContact CD2-CE3 3.86Å; I583-W887 HydrophobicContact CD1-CH2 3.74Å; I583-W887 HydrophobicContact CD1-CZ3 4.17Å; Y598-W887 HydrophobicContact CD1-CZ2 4.16Å; Y598-W887 AromaticContact CD2-CH2 3.72Å; Y598-W887 HydrophobicContact CD2-CH2 3.72Å; Y598-W887 AromaticContact CD2-CZ2 3.8Å; Y598-W887 HydrophobicContact CD2-CZ2 3.8Å; Y598-W887 HydrophobicContact CD2-CZ3 4.43Å; Y598-W887 AromaticContact CE1-CE2 3.84Å; Y598-W887 AromaticContact CE1-CZ2 3.86Å; Y598-W887 HydrophobicContact CE1-CZ2 3.86Å; Y598-W887 AromaticContact CE1-NE1 3.88Å; Y598-W887 HydrophobicContact CE2-CD2 4.17Å; Y598-W887 AromaticContact CE2-CE2 3.82Å; Y598-W887 HydrophobicContact CE2-CE3 4.12Å; Y598-W887 AromaticContact CE2-CH2 3.42Å; Y598-W887 HydrophobicContact CE2-CH2 3.42Å; Y598-W887 VanDerWaalsContact CE2-CH2 3.42Å; Y598-W887 AromaticContact CE2-CZ2 3.45Å; Y598-W887 HydrophobicContact CE2-CZ2 3.45Å; Y598-W887 VanDerWaalsContact CE2-CZ2 3.45Å; Y598-W887 AromaticContact CE2-CZ3 3.77Å; Y598-W887 HydrophobicContact CE2-CZ3 3.77Å; Y598-W887 HydrophobicContact CG-CH2 4.44Å; Y598-W887 HydrophobicContact CG-CZ2 4.14Å; Y598-W887 AromaticContact CZ-CD2 3.83Å; Y598-W887 AromaticContact CZ-CE2 3.41Å; Y598-W887 VanDerWaalsContact CZ-CE2 3.41Å; Y598-W887 AromaticContact CZ-CH2 3.94Å; Y598-W887 AromaticContact CZ-CZ2 3.48Å; Y598-W887 VanDerWaalsContact CZ-CZ2 3.48Å; Y598-W887 AromaticContact CZ-NE1 3.81Å; Y598-W887 WeakPolarHBondContact O-CZ2 3.46Å; Y598-W887 PolarHBondContact OH-N 2.88Å; I601-W887 HydrophobicContact CG2-CH2 4.13Å; G602-W887 VanDerWaalsContact CA-CZ2 3.43Å; L838-W887 HydrophobicContact CD2-CE3 4.04Å; L838-W887 HydrophobicContact CD2-CH2 3.91Å; L838-W887 HydrophobicContact CD2-CZ3 3.53Å; F842-W887 HydrophobicContact CE1-CB 4.34Å; F842-W887 HydrophobicContact CZ-CB 3.75Å; F842-W887 HydrophobicContact CZ-CG 4.45Å; N877-W887 VanDerWaalsContact OD1-CA 3.3Å; N877-W887 WeakPolarHBondContact OD1-CA 3.12Å; N877-W887 VanDerWaalsContact OD1-CB 3.26Å; N877-W887 WeakPolarHBondContact OD1-CB 3.16Å; S881-W887 PolarHBondContact OG-NE1 3.46Å; L885-W887 PolarHBondContact O-N 3.31Å
888	V	96.1	Very high	93.5	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.006	8%	0.076	C	C	.	.			trans	-135.6	146.6	176.6	-59.5	0	0	0	0	111.1	L570 I876 N877 L880	L570-V888 HydrophobicContact CB-CB 4.25Å; L570-V888 HydrophobicContact CB-CG2 4.19Å; L570-V888 HydrophobicContact CD1-CG2 4.01Å; I876-V888 HydrophobicContact CG2-CG2 4.21Å; N877-V888 PolarHBondContact ND2-O 3.46Å; N877-V888 PolarHBondContact OD1-N 2.93Å; N877-V888 PolarHBondContact OD1-O 3.49Å; L880-V888 HydrophobicContact CD1-CG2 3.9Å
889	H	95.4	Very high	93.3	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	175.7	170.3	61	72.4	0	0	0	108.8	L570 L571 T573 F842 E845 A891	L570-H889 CarbonylContact C-O 3.33Å; L570-H889 VanDerWaalsContact CA-O 3.26Å; L570-H889 WeakPolarHBondContact CA-O 3.48Å; L570-H889 VanDerWaalsContact CD2-C 3.47Å; L571-H889 PolarHBondContact N-O 2.72Å; L571-H889 PolarHBondContact O-N 3.46Å; T573-H889 WeakPolarHBondContact CG2-CE1 3.3Å; T573-H889 PolarHBondContact OG1-CE1 3.16Å; T573-H889 PolarHBondContact OG1-NE2 3.28Å; F842-H889 HydrophobicContact CD1-CB 3.91Å; F842-H889 HydrophobicContact CE1-CB 4.04Å; F842-H889 AromaticContact CE2-CD2 3.86Å; F842-H889 HydrophobicContact CG-CB 4.4Å; F842-H889 AromaticContact CZ-CD2 3.86Å; E845-H889 IonicContact OE2-CE1 2.86Å; E845-H889 PolarHBondContact OE2-CE1 3.01Å; E845-H889 IonicContact OE2-ND1 2.71Å; E845-H889 IonicContact OE2-NE2 2.73Å; H889-A891 PolarHBondContact O-N 2.98Å
890	A	94.8	Very high	92.9	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	135.2	178.2	0	0	0	0	0	111.9	L568 V569 L570 A849	L568-A890 HydrophobicContact CD1-CB 3.83Å; L568-A890 HydrophobicContact CD2-CB 3.56Å; L568-A890 HydrophobicContact CG-CB 3.59Å; V569-A890 WeakPolarHBondContact O-CA 3.4Å; L570-A890 HydrophobicContact CD2-CB 4.33Å; A849-A890 HydrophobicContact CB-CB 3.7Å
891	A	92.3	Very high	92.5	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.008	7%	0.068	C	C	.	.			trans	-117.3	142.8	-175.6	0	0	0	0	0	112.4	V569 L571 T573 H889 T895	V569-A891 PolarHBondContact O-N 3.36Å; L571-A891 HydrophobicContact CB-CB 3.64Å; T573-A891 HydrophobicContact CG2-CB 3.89Å; H889-A891 PolarHBondContact O-N 2.98Å; A891-T895 PolarHBondContact O-N 3.32Å; A891-T895 PolarHBondContact O-OG1 2.9Å
892	L	89.3	Confident	92.3	Very high	13 Å²	13	13.3 Å²	13.3	7%	0.068	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	145.4	164.4	-64.3	178.2	0	0	0	109	F632 V636 I848 A849 I852 P896	F632-L892 HydrophobicContact CD1-CD1 3.55Å; F632-L892 HydrophobicContact CE1-CD1 3.69Å; V636-L892 HydrophobicContact CG1-CB 4.08Å; V636-L892 WeakPolarHBondContact CG1-O 3.4Å; V636-L892 HydrophobicContact CG2-CB 4.48Å; I848-L892 HydrophobicContact CG2-CD1 4.33Å; A849-L892 HydrophobicContact CB-CD2 4.29Å; I852-L892 HydrophobicContact CD1-CD1 3.61Å; I852-L892 HydrophobicContact CD1-CD2 3.96Å; I852-L892 HydrophobicContact CD1-CG 4.45Å; L892-P896 HydrophobicContact CD2-CG 4Å
893	P	88.8	Confident	92	Very high	4 Å²	4	10.8 Å²	10.8	3%	0.026	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	cis	-90.5	10.2	2.6	36.3	-37.4	0	0	0	115.1	F640 T895 P896 L897 M962 A966	F640-P893 HydrophobicContact CE2-CG 4.44Å; P893-T895 PolarHBondContact O-N 3Å; P893-P896 WeakPolarHBondContact O-CD 3.44Å; P893-P896 VanDerWaalsContact O-CG 3.26Å; P893-P896 WeakPolarHBondContact O-CG 3.42Å; P893-L897 HydrophobicContact CB-CD1 4.17Å; P893-L897 HydrophobicContact CB-CG 4.49Å; P893-L897 HydrophobicContact CG-CD1 4.11Å; P893-L897 WeakPolarHBondContact O-CB 3.43Å; P893-L897 VanDerWaalsContact O-CG 3.26Å; P893-L897 WeakPolarHBondContact O-CG 3.28Å; P893-L897 PolarHBondContact O-N 3.5Å; P893-M962 HydrophobicContact CG-CB 3.93Å; P893-A966 HydrophobicContact CB-CB 3.38Å; P893-A966 HydrophobicContact CG-CB 4.08Å
894	H	92.5	Very high	91.5	Very high	3 Å²	3	8.6 Å²	8.6	1%	0.014	5%	0.047	C	C	.	.	H	α-helix	trans	-59.3	-43.3	-173.6	-61	-80.2	0	0	0	113.6	A523 V569 L571 L897 H898 M962	A523-H894 PolarHBondContact O-CE1 2.93Å; A523-H894 PolarHBondContact O-ND1 3.33Å; V569-H894 HydrophobicContact CB-CB 4Å; V569-H894 HydrophobicContact CG1-CB 3.94Å; V569-H894 HydrophobicContact CG2-CB 4.46Å; L571-H894 VanDerWaalsContact CD2-NE2 3.31Å; L571-H894 WeakPolarHBondContact CD2-NE2 3.37Å; H894-L897 PolarHBondContact O-N 3.37Å; H894-H898 WeakPolarHBondContact O-CB 3.32Å; H894-H898 PolarHBondContact O-N 3.04Å; H894-M962 PolarHBondContact CE1-SD 2.77Å
895	T	93.8	Very high	90.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-57.3	-57.2	179.1	-64.9	0	0	0	0	112.9	L568 V569 L853 A891 P893 L897 H898 V899	L568-T895 HydrophobicContact CD1-CG2 3.77Å; V569-T895 PolarHBondContact N-OG1 3.08Å; L853-T895 HydrophobicContact CB-CG2 3.89Å; L853-T895 HydrophobicContact CD1-CG2 4.42Å; L853-T895 HydrophobicContact CD2-CG2 4.27Å; L853-T895 HydrophobicContact CG-CG2 4.43Å; A891-T895 PolarHBondContact O-N 3.32Å; A891-T895 PolarHBondContact O-OG1 2.9Å; P893-T895 PolarHBondContact O-N 3Å; T895-L897 VanDerWaalsContact C-N 3.3Å; T895-L897 PolarHBondContact O-N 2.99Å; T895-H898 WeakPolarHBondContact O-CB 3.37Å; T895-H898 PolarHBondContact O-N 3.47Å; T895-V899 WeakPolarHBondContact O-CG2 3.33Å; T895-V899 PolarHBondContact O-N 3Å
896	P	89	Confident	89.5	Confident	26 Å²	26	15 Å²	15	17%	0.169	8%	0.077	C	C	.	.	H	α-helix	trans	-65.9	-30.5	178.8	23	-32.9	0	0	0	113.3	I852 L892 P893 H898 V899 K900	I852-P896 HydrophobicContact CG2-CB 4.11Å; I852-P896 HydrophobicContact CG2-CG 4.32Å; L892-P896 HydrophobicContact CD2-CG 4Å; P893-P896 WeakPolarHBondContact O-CD 3.44Å; P893-P896 VanDerWaalsContact O-CG 3.26Å; P893-P896 WeakPolarHBondContact O-CG 3.42Å; P896-H898 VanDerWaalsContact C-N 3.35Å; P896-V899 PolarHBondContact O-N 3.31Å; P896-K900 WeakPolarHBondContact O-CG 3.4Å; P896-K900 PolarHBondContact O-N 3.31Å; P896-K900 VanDerWaalsContact O-N 3.11Å
897	L	89.7	Confident	88.2	Confident	12 Å²	12	19.5 Å²	19.5	6%	0.063	10%	0.098	C	C	.	.	H	α-helix	trans	-66.2	-38	173.8	-69	174.1	0	0	0	111.9	F519 P893 H894 T895 K900 A901 M962	F519-L897 HydrophobicContact CE1-CB 4.2Å; F519-L897 HydrophobicContact CZ-CB 4.07Å; P893-L897 HydrophobicContact CB-CD1 4.17Å; P893-L897 HydrophobicContact CB-CG 4.49Å; P893-L897 HydrophobicContact CG-CD1 4.11Å; P893-L897 WeakPolarHBondContact O-CB 3.43Å; P893-L897 VanDerWaalsContact O-CG 3.26Å; P893-L897 WeakPolarHBondContact O-CG 3.28Å; P893-L897 PolarHBondContact O-N 3.5Å; H894-L897 PolarHBondContact O-N 3.37Å; T895-L897 VanDerWaalsContact C-N 3.3Å; T895-L897 PolarHBondContact O-N 2.99Å; L897-K900 PolarHBondContact O-N 2.57Å; L897-A901 WeakPolarHBondContact O-CB 3.34Å; L897-A901 PolarHBondContact O-N 3.2Å; L897-M962 HydrophobicContact CD1-CG 4.3Å
898	H	92.8	Very high	86.3	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.3	-41.1	175.5	-177.7	-147.1	0	0	0	112.1	T516 L567 V569 H894 T895 P896 A901 L902 T928	T516-H898 VanDerWaalsContact CG2-CD2 3.47Å; T516-H898 WeakPolarHBondContact CG2-CD2 3.27Å; L567-H898 PolarHBondContact O-ND1 3.34Å; V569-H898 HydrophobicContact CG2-CB 3.87Å; H894-H898 WeakPolarHBondContact O-CB 3.32Å; H894-H898 PolarHBondContact O-N 3.04Å; T895-H898 WeakPolarHBondContact O-CB 3.37Å; T895-H898 PolarHBondContact O-N 3.47Å; P896-H898 VanDerWaalsContact C-N 3.35Å; H898-A901 PolarHBondContact O-N 3.47Å; H898-L902 WeakPolarHBondContact NE2-CD1 3.43Å; H898-L902 PolarHBondContact O-N 3.06Å; H898-T928 PolarHBondContact CE1-OG1 2.86Å; H898-T928 VanDerWaalsContact CE1-OG1 3.29Å; H898-T928 WeakPolarHBondContact NE2-CB 3.5Å; H898-T928 PolarHBondContact NE2-OG1 3Å
899	V	91.6	Very high	84.2	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.006	14%	0.135	C	C	.	.	H	α-helix	trans	-60.7	-48.1	174.2	179.6	0	0	0	0	111.1	L567 L853 N858 T895 P896 A901 L902 A903 V922	L567-V899 HydrophobicContact CB-CG2 4.37Å; L567-V899 HydrophobicContact CD1-CG2 4.2Å; L853-V899 HydrophobicContact CD1-CG2 3.13Å; N858-V899 HydrophobicContact CB-CG1 4.11Å; T895-V899 WeakPolarHBondContact O-CG2 3.33Å; T895-V899 PolarHBondContact O-N 3Å; P896-V899 PolarHBondContact O-N 3.31Å; V899-A901 VanDerWaalsContact C-N 3.28Å; V899-A901 PolarHBondContact O-N 2.96Å; V899-L902 PolarHBondContact O-N 3.12Å; V899-L902 VanDerWaalsContact O-N 3.11Å; V899-A903 WeakPolarHBondContact O-CB 3.24Å; V899-A903 PolarHBondContact O-N 3.22Å; V899-V922 HydrophobicContact CG1-CG1 4.24Å; V899-V922 HydrophobicContact CG1-CG2 4.07Å
900	K	87.3	Confident	81.8	Confident	71 Å²	71	29.1 Å²	29.1	31%	0.309	15%	0.149	S	C	.	.	H	α-helix	trans	-61.6	-36.5	179.2	-72	176.3	-179.2	178.8	0	112.1	P896 L897 L902 A903 M905 T965 Q968	P896-K900 WeakPolarHBondContact O-CG 3.4Å; P896-K900 PolarHBondContact O-N 3.31Å; P896-K900 VanDerWaalsContact O-N 3.11Å; L897-K900 PolarHBondContact O-N 2.57Å; K900-L902 VanDerWaalsContact C-N 3.27Å; K900-L902 PolarHBondContact O-N 3.33Å; K900-A903 PolarHBondContact O-N 3.2Å; K900-M905 HydrophobicContact CB-CE 4.19Å; K900-M905 HydrophobicContact CG-CE 4.08Å; K900-T965 PolarHBondContact NZ-O 3.07Å; K900-Q968 PolarHBondContact NZ-O 2.94Å
901	A	89.3	Confident	79.3	Confident	15 Å²	15	31.2 Å²	31.2	12%	0.124	17%	0.171	C	C	.	.	H	α-helix	trans	-67.2	-24.9	176.9	0	0	0	0	0	113.3	K512 T516 F519 L897 H898 V899	K512-A901 WeakPolarHBondContact CE-O 3.28Å; K512-A901 WeakPolarHBondContact CG-O 3.37Å; T516-A901 HydrophobicContact CG2-CB 3.87Å; T516-A901 PolarHBondContact OG1-O 3.18Å; F519-A901 HydrophobicContact CD1-CB 4.28Å; L897-A901 WeakPolarHBondContact O-CB 3.34Å; L897-A901 PolarHBondContact O-N 3.2Å; H898-A901 PolarHBondContact O-N 3.47Å; V899-A901 VanDerWaalsContact C-N 3.28Å; V899-A901 PolarHBondContact O-N 2.96Å
902	L	90.4	Very high	76.9	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-99.6	-8.3	177.2	-76.2	165	0	0	0	114.4	T516 L567 H898 V899 K900 V922 R923 T925 T928	T516-L902 HydrophobicContact CG2-CD1 4.29Å; T516-L902 HydrophobicContact CG2-CD2 4.38Å; T516-L902 HydrophobicContact CG2-CG 3.98Å; L567-L902 HydrophobicContact CD2-CD1 3.38Å; H898-L902 WeakPolarHBondContact NE2-CD1 3.43Å; H898-L902 PolarHBondContact O-N 3.06Å; V899-L902 PolarHBondContact O-N 3.12Å; V899-L902 VanDerWaalsContact O-N 3.11Å; K900-L902 VanDerWaalsContact C-N 3.27Å; K900-L902 PolarHBondContact O-N 3.33Å; L902-V922 HydrophobicContact CB-CG1 4.1Å; L902-R923 HydrophobicContact CD2-CB 4.37Å; L902-R923 PolarHBondContact O-N 2.97Å; L902-R923 PolarHBondContact O-NH1 3.32Å; L902-R923 VanDerWaalsContact O-NH1 3.15Å; L902-T925 HydrophobicContact CD1-CG2 4.2Å; L902-T925 HydrophobicContact CD2-CG2 4.19Å; L902-T928 HydrophobicContact CD1-CG2 4.14Å; L902-T928 HydrophobicContact CD2-CG2 4.09Å
903	A	88.6	Confident	74.6	Confident	2 Å²	2	40.4 Å²	40.4	2%	0.017	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	139.2	-179.3	0	0	0	0	0	112.3	V899 K900 M905 I919 R921 V922	V899-A903 WeakPolarHBondContact O-CB 3.24Å; V899-A903 PolarHBondContact O-N 3.22Å; K900-A903 PolarHBondContact O-N 3.2Å; A903-M905 HydrophobicContact CB-CE 3.66Å; A903-M905 HydrophobicContact CB-SD 4.17Å; A903-I919 HydrophobicContact CB-CD1 4.38Å; A903-I919 HydrophobicContact CB-CG1 4.01Å; A903-I919 HydrophobicContact CB-CG2 3.91Å; A903-R921 WeakPolarHBondContact CA-O 3.29Å; A903-V922 HydrophobicContact CB-CG2 4.02Å
904	D	82.7	Confident	72.4	Confident	27 Å²	27	43.5 Å²	43.5	14%	0.144	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	119.7	161	-70.5	-19	0	0	0	107.9	I920 R921 R923	D904-I920 PolarHBondContact O-N 2.97Å; D904-R921 HydrophobicContact CB-CG 4.09Å; D904-R921 PolarHBondContact N-O 3.48Å; D904-R921 IonicContact OD2-CZ 3.97Å; D904-R921 IonicContact OD2-NE 3.04Å; D904-R921 PolarHBondContact OD2-NE 2.88Å; D904-R921 IonicContact OD2-NH2 2.96Å; D904-R921 PolarHBondContact OD2-NH2 3.16Å; D904-R923 VanDerWaalsContact CG-NH2 3.3Å; D904-R923 IonicContact OD1-CZ 3.67Å; D904-R923 IonicContact OD1-NH1 2.61Å; D904-R923 PolarHBondContact OD1-NH1 3.3Å; D904-R923 IonicContact OD1-NH2 3.77Å; D904-R923 PolarHBondContact OD1-NH2 2.83Å; D904-R923 IonicContact OD2-CZ 2.78Å; D904-R923 IonicContact OD2-NH1 2.74Å; D904-R923 IonicContact OD2-NH2 3.95Å; D904-R923 PolarHBondContact OD2-NH2 3.47Å
905	M	76.5	Confident	70.4	Confident	82 Å²	82	48.5 Å²	48.5	40%	0.404	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	133.2	-179.4	-58.5	-64.1	-173.4	0	0	110.2	K900 A903 T918 I919	K900-M905 HydrophobicContact CB-CE 4.19Å; K900-M905 HydrophobicContact CG-CE 4.08Å; A903-M905 HydrophobicContact CB-CE 3.66Å; A903-M905 HydrophobicContact CB-SD 4.17Å; M905-T918 WeakPolarHBondContact CA-O 3.32Å; M905-I919 HydrophobicContact CE-CD1 4.12Å; M905-I919 HydrophobicContact CE-CG1 3.59Å; M905-I919 HydrophobicContact SD-CB 4.24Å; M905-I919 HydrophobicContact SD-CD1 4.48Å; M905-I919 HydrophobicContact SD-CG1 3.36Å; M905-I919 WeakPolarHBondContact SD-CG1 3.24Å
906	E	68.6	Low	68.5	Low	54 Å²	54	54 Å²	54	25%	0.252	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	146.9	164.5	58.9	-170.8	171.4	0	0	111	H908 Q917 T918 I920	E906-H908 WeakPolarHBondContact CG-NE2 3.31Å; E906-H908 IonicContact OE1-CD2 2.95Å; E906-H908 IonicContact OE1-CE1 2.72Å; E906-H908 IonicContact OE1-NE2 2.93Å; E906-H908 PolarHBondContact OE1-NE2 3.24Å; E906-H908 IonicContact OE2-CE1 3.88Å; E906-H908 IonicContact OE2-NE2 3.42Å; E906-Q917 CarbonylContact O-C 3.07Å; E906-Q917 WeakPolarHBondContact O-CA 3.33Å; E906-T918 WeakPolarHBondContact CG-OG1 3.46Å; E906-T918 PolarHBondContact N-O 3.22Å; E906-T918 PolarHBondContact O-N 2.88Å; E906-T918 PolarHBondContact OE1-OG1 3.4Å; E906-I920 HydrophobicContact CB-CD1 3.64Å; E906-I920 HydrophobicContact CB-CG1 3.79Å; E906-I920 VanDerWaalsContact CD-CG1 3.41Å; E906-I920 HydrophobicContact CG-CD1 3.87Å; E906-I920 HydrophobicContact CG-CG1 3.47Å; E906-I920 VanDerWaalsContact CG-CG1 3.47Å
907	E	65.4	Low	67.3	Low	96 Å²	96	57.4 Å²	57.4	45%	0.449	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	105.1	173.8	-76.8	-176.8	-179.1	0	0	108.9	I915 Q917	E907-I915 HydrophobicContact CB-CG2 3.71Å; E907-I915 HydrophobicContact CG-CG2 3.63Å; E907-Q917 HydrophobicContact CG-CG 3.7Å; E907-Q917 PolarHBondContact OE1-NE2 3.41Å
908	H	56.8	Low	66.2	Low	80 Å²	80	58.3 Å²	58.3	37%	0.37	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	129.8	168.8	-75.5	-64.2	0	0	0	109.4	E906 I915 R916 T918	E906-H908 WeakPolarHBondContact CG-NE2 3.31Å; E906-H908 IonicContact OE1-CD2 2.95Å; E906-H908 IonicContact OE1-CE1 2.72Å; E906-H908 IonicContact OE1-NE2 2.93Å; E906-H908 PolarHBondContact OE1-NE2 3.24Å; E906-H908 IonicContact OE2-CE1 3.88Å; E906-H908 IonicContact OE2-NE2 3.42Å; H908-I915 WeakPolarHBondContact O-CA 3.48Å; H908-R916 PolarHBondContact N-O 3.05Å; H908-R916 PolarHBondContact O-N 3.24Å; H908-T918 PolarHBondContact CD2-OG1 3.17Å
909	V	52.1	Low	65.4	Low	68 Å²	68	59.1 Å²	59.1	41%	0.412	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	86.9	177.5	-172.3	0	0	0	0	109.4	G911 H914 I915	V909-G911 PolarHBondContact O-N 3.44Å; V909-H914 CarbonylContact C-O 3.59Å; V909-H914 WeakPolarHBondContact CA-O 3.43Å; V909-I915 HydrophobicContact CG2-CG1 4.29Å
910	D	44.8	Very low	64.7	Low	56 Å²	56	62.4 Å²	62.4	30%	0.299	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	119.4	177.1	-70.8	-31.6	0	0	0	109.8	G912 H914	D910-G912 PolarHBondContact O-N 3.41Å; D910-G912 VanDerWaalsContact O-N 3.15Å; D910-H914 PolarHBondContact N-O 3.26Å; D910-H914 PolarHBondContact O-N 2.92Å
911	G	43.2	Very low	64.4	Low	44 Å²	44	64.5 Å²	64.5	45%	0.454	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	20.1	172.6	0	0	0	0	0	115.2	V909 H913	V909-G911 PolarHBondContact O-N 3.44Å; G911-H913 VanDerWaalsContact C-N 3.33Å; G911-H913 PolarHBondContact O-N 3.36Å
912	G	42.1	Very low	64.4	Low	33 Å²	33	64.2 Å²	64.2	34%	0.34	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	81	-7.3	171.5	0	0	0	0	0	116.7	D910	D910-G912 PolarHBondContact O-N 3.41Å; D910-G912 VanDerWaalsContact O-N 3.15Å
913	H	41.2	Very low	64.4	Low	175 Å²	175	64.7 Å²	64.7	81%	0.81	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.8	-20.8	179.5	-74.3	23.1	0	0	0	114	G911	G911-H913 VanDerWaalsContact C-N 3.33Å; G911-H913 PolarHBondContact O-N 3.36Å
914	H	42.1	Very low	64.5	Low	69 Å²	69	64.9 Å²	64.9	32%	0.319	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	112.1	-175.8	-70.5	-71.4	0	0	0	111.6	V909 D910 R916	V909-H914 CarbonylContact C-O 3.59Å; V909-H914 WeakPolarHBondContact CA-O 3.43Å; D910-H914 PolarHBondContact N-O 3.26Å; D910-H914 PolarHBondContact O-N 2.92Å; H914-R916 PolarHBondContact O-N 3.47Å
915	I	49.6	Very low	65	Low	107 Å²	107	63.6 Å²	63.6	55%	0.549	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	109	173.7	-56.3	169.9	0	0	0	107.8	E907 H908 V909	E907-I915 HydrophobicContact CB-CG2 3.71Å; E907-I915 HydrophobicContact CG-CG2 3.63Å; H908-I915 WeakPolarHBondContact O-CA 3.48Å; V909-I915 HydrophobicContact CG2-CG1 4.29Å
916	R	54	Low	65.8	Low	117 Å²	117	60.9 Å²	60.9	44%	0.442	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	122.1	171.3	-168.7	177.9	-178.1	178.9	-1.2	109.1	H908 H914 T918	H908-R916 PolarHBondContact N-O 3.05Å; H908-R916 PolarHBondContact O-N 3.24Å; H914-R916 PolarHBondContact O-N 3.47Å; R916-T918 HydrophobicContact CG-CG2 3.95Å
917	Q	63.9	Low	67	Low	96 Å²	96	59.6 Å²	59.6	45%	0.449	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	119.4	168.7	-72.7	178.4	-16.8	0	0	108.6	E906 E907	E906-Q917 CarbonylContact O-C 3.07Å; E906-Q917 WeakPolarHBondContact O-CA 3.33Å; E907-Q917 HydrophobicContact CG-CG 3.7Å; E907-Q917 PolarHBondContact OE1-NE2 3.41Å
918	T	68	Low	68.4	Low	31 Å²	31	55 Å²	55	19%	0.19	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	142.9	174.4	71	0	0	0	0	110.3	M905 E906 H908 R916 I920	M905-T918 WeakPolarHBondContact CA-O 3.32Å; E906-T918 WeakPolarHBondContact CG-OG1 3.46Å; E906-T918 PolarHBondContact N-O 3.22Å; E906-T918 PolarHBondContact O-N 2.88Å; E906-T918 PolarHBondContact OE1-OG1 3.4Å; H908-T918 PolarHBondContact CD2-OG1 3.17Å; R916-T918 HydrophobicContact CG-CG2 3.95Å; T918-I920 PolarHBondContact O-N 3.28Å
919	I	75.4	Confident	70.3	Confident	17 Å²	17	51.3 Å²	51.3	9%	0.087	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	121.5	175.2	-64.2	166.4	0	0	0	107.4	N858 K859 A903 M905 V922	N858-I919 HydrophobicContact CB-CD1 4.48Å; N858-I919 WeakPolarHBondContact OD1-CD1 3.46Å; K859-I919 VanDerWaalsContact CD-O 3.26Å; K859-I919 WeakPolarHBondContact CD-O 3.1Å; K859-I919 WeakPolarHBondContact CE-O 3.33Å; K859-I919 PolarHBondContact NZ-O 3.45Å; A903-I919 HydrophobicContact CB-CD1 4.38Å; A903-I919 HydrophobicContact CB-CG1 4.01Å; A903-I919 HydrophobicContact CB-CG2 3.91Å; M905-I919 HydrophobicContact CE-CD1 4.12Å; M905-I919 HydrophobicContact CE-CG1 3.59Å; M905-I919 HydrophobicContact SD-CB 4.24Å; M905-I919 HydrophobicContact SD-CD1 4.48Å; M905-I919 HydrophobicContact SD-CG1 3.36Å; M905-I919 WeakPolarHBondContact SD-CG1 3.24Å; I919-V922 HydrophobicContact CG2-CG2 3.5Å; I919-V922 VanDerWaalsContact CG2-CG2 3.5Å
920	I	76	Confident	72.3	Confident	70 Å²	70	51.2 Å²	51.2	36%	0.359	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	-53.7	173.8	-49.8	176.8	0	0	0	108.9	K859 D904 E906 T918	K859-I920 WeakPolarHBondContact CD-O 3.45Å; D904-I920 PolarHBondContact O-N 2.97Å; E906-I920 HydrophobicContact CB-CD1 3.64Å; E906-I920 HydrophobicContact CB-CG1 3.79Å; E906-I920 VanDerWaalsContact CD-CG1 3.41Å; E906-I920 HydrophobicContact CG-CD1 3.87Å; E906-I920 HydrophobicContact CG-CG1 3.47Å; E906-I920 VanDerWaalsContact CG-CG1 3.47Å; T918-I920 PolarHBondContact O-N 3.28Å
921	R	81.6	Confident	74.8	Confident	116 Å²	116	51.7 Å²	51.7	44%	0.438	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	151.9	-176.3	63.9	176.6	-174.9	163.6	3.1	109.6	A903 D904	A903-R921 WeakPolarHBondContact CA-O 3.29Å; D904-R921 HydrophobicContact CB-CG 4.09Å; D904-R921 PolarHBondContact N-O 3.48Å; D904-R921 IonicContact OD2-CZ 3.97Å; D904-R921 IonicContact OD2-NE 3.04Å; D904-R921 PolarHBondContact OD2-NE 2.88Å; D904-R921 IonicContact OD2-NH2 2.96Å; D904-R921 PolarHBondContact OD2-NH2 3.16Å
922	V	89.7	Confident	77.3	Confident	9 Å²	9	49.6 Å²	49.6	6%	0.055	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	136.2	173	-176.2	0	0	0	0	107.8	L567 N858 L860 V899 L902 A903 I919 E924	L567-V922 HydrophobicContact CD1-CG1 3.83Å; N858-V922 WeakPolarHBondContact O-CG2 3.29Å; L860-V922 HydrophobicContact CD2-CB 3.82Å; L860-V922 HydrophobicContact CD2-CG1 4.03Å; L860-V922 HydrophobicContact CD2-CG2 4.08Å; V899-V922 HydrophobicContact CG1-CG1 4.24Å; V899-V922 HydrophobicContact CG1-CG2 4.07Å; L902-V922 HydrophobicContact CB-CG1 4.1Å; A903-V922 HydrophobicContact CB-CG2 4.02Å; I919-V922 HydrophobicContact CG2-CG2 3.5Å; I919-V922 VanDerWaalsContact CG2-CG2 3.5Å; V922-E924 PolarHBondContact O-N 2.98Å
923	R	90.1	Very high	79.9	Confident	10 Å²	10	48 Å²	48	4%	0.038	22%	0.22	C	C	.	.			trans	-79.5	104.8	172	-63.2	166	-173.4	86.9	0.3	108	T509 L902 D904 T925	T509-R923 HydrophobicContact CG2-CG 4.45Å; T509-R923 PolarHBondContact OG1-NE 3.37Å; L902-R923 HydrophobicContact CD2-CB 4.37Å; L902-R923 PolarHBondContact O-N 2.97Å; L902-R923 PolarHBondContact O-NH1 3.32Å; L902-R923 VanDerWaalsContact O-NH1 3.15Å; D904-R923 VanDerWaalsContact CG-NH2 3.3Å; D904-R923 IonicContact OD1-CZ 3.67Å; D904-R923 IonicContact OD1-NH1 2.61Å; D904-R923 PolarHBondContact OD1-NH1 3.3Å; D904-R923 IonicContact OD1-NH2 3.77Å; D904-R923 PolarHBondContact OD1-NH2 2.83Å; D904-R923 IonicContact OD2-CZ 2.78Å; D904-R923 IonicContact OD2-NH1 2.74Å; D904-R923 IonicContact OD2-NH2 3.95Å; D904-R923 PolarHBondContact OD2-NH2 3.47Å; R923-T925 PolarHBondContact O-N 3.37Å
924	E	91.7	Very high	82.5	Confident	5 Å²	5	42.8 Å²	42.8	2%	0.023	20%	0.201	C	C	.	.			trans	-82.7	84.4	-176.8	-70.6	-178.3	-107.7	0	0	110.1	E502 L567 L860 R861 K862 V922	E502-E924 PolarHBondContact OE1-N 3.33Å; L567-E924 HydrophobicContact CD1-CG 4.26Å; L860-E924 HydrophobicContact CD2-CG 3.93Å; R861-E924 PolarHBondContact N-OE1 3.23Å; K862-E924 VanDerWaalsContact CB-OE2 3.32Å; K862-E924 WeakPolarHBondContact CB-OE2 3.41Å; K862-E924 HydrophobicContact CD-CB 3.92Å; K862-E924 WeakPolarHBondContact CG-OE2 3.4Å; K862-E924 PolarHBondContact N-OE1 3.18Å; K862-E924 PolarHBondContact NZ-O 3.44Å; V922-E924 PolarHBondContact O-N 2.98Å
925	T	92.8	Very high	85	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.2	C	C	.	.			trans	-120.1	140.8	-178.6	-173.2	0	0	0	0	114.8	D499 G503 L902 R923 L927 T928	D499-T925 WeakPolarHBondContact O-CA 3.47Å; D499-T925 WeakPolarHBondContact O-CB 3.3Å; D499-T925 PolarHBondContact O-OG1 2.94Å; G503-T925 VanDerWaalsContact CA-OG1 3.28Å; G503-T925 WeakPolarHBondContact CA-OG1 3.29Å; G503-T925 PolarHBondContact N-OG1 2.77Å; L902-T925 HydrophobicContact CD1-CG2 4.2Å; L902-T925 HydrophobicContact CD2-CG2 4.19Å; R923-T925 PolarHBondContact O-N 3.37Å; T925-L927 PolarHBondContact OG1-N 3.17Å; T925-T928 HydrophobicContact CG2-CG2 3.94Å; T925-T928 PolarHBondContact O-OG1 3.06Å
926	R	93.5	Very high	87.1	Confident	26 Å²	26	37.2 Å²	37.2	10%	0.098	17%	0.174	C	C	.	.	S	Bend	trans	-87	-13.1	173.5	58.9	178.2	-69.9	-84.6	-8.6	114.4	Y496 D499 I500 G560 V561 P566 T928 L929 F930	Y496-R926 PolarHBondContact OH-NE 3.47Å; D499-R926 HydrophobicContact CB-CG 3.96Å; D499-R926 PolarHBondContact O-N 3.42Å; I500-R926 HydrophobicContact CG1-CG 3.88Å; G560-R926 VanDerWaalsContact C-NH2 3.33Å; G560-R926 PolarHBondContact O-NE 3.17Å; G560-R926 PolarHBondContact O-NH2 3.22Å; V561-R926 VanDerWaalsContact CA-NH2 3.33Å; P566-R926 HydrophobicContact CB-CB 3.88Å; R926-T928 VanDerWaalsContact C-N 3.32Å; R926-T928 PolarHBondContact O-N 2.97Å; R926-L929 PolarHBondContact O-N 3.12Å; R926-F930 PolarHBondContact O-N 3.03Å; R926-F930 VanDerWaalsContact O-N 3.09Å
927	L	93.4	Very high	89	Confident	26 Å²	26	32.4 Å²	32.4	14%	0.136	16%	0.161	C	C	.	.	H	α-helix	trans	-66	-34.7	-176.2	-73.1	173.5	0	0	0	112.3	I500 I504 T925 F930 I931	I500-L927 HydrophobicContact CG2-CD1 4.23Å; I500-L927 HydrophobicContact CG2-CD2 4.13Å; I500-L927 HydrophobicContact CG2-CG 4.28Å; I500-L927 WeakPolarHBondContact O-CD1 3.43Å; I504-L927 HydrophobicContact CD1-CD1 3.74Å; I504-L927 HydrophobicContact CG1-CD1 3.59Å; T925-L927 PolarHBondContact OG1-N 3.17Å; L927-F930 PolarHBondContact O-N 3.08Å; L927-I931 HydrophobicContact CB-CD1 4.26Å; L927-I931 HydrophobicContact CD2-CD1 4.49Å; L927-I931 WeakPolarHBondContact O-CB 3.37Å; L927-I931 VanDerWaalsContact O-CG1 3.26Å; L927-I931 WeakPolarHBondContact O-CG1 3.44Å; L927-I931 PolarHBondContact O-N 3.38Å
928	T	95.3	Very high	90.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.4	-47.6	178.9	50.3	0	0	0	0	111.5	T513 T516 I517 H898 L902 T925 R926 S932	T513-T928 HydrophobicContact CG2-CG2 3.8Å; T516-T928 HydrophobicContact CG2-CG2 3.9Å; I517-T928 HydrophobicContact CG1-CG2 4.16Å; H898-T928 PolarHBondContact CE1-OG1 2.86Å; H898-T928 VanDerWaalsContact CE1-OG1 3.29Å; H898-T928 WeakPolarHBondContact NE2-CB 3.5Å; H898-T928 PolarHBondContact NE2-OG1 3Å; L902-T928 HydrophobicContact CD1-CG2 4.14Å; L902-T928 HydrophobicContact CD2-CG2 4.09Å; T925-T928 HydrophobicContact CG2-CG2 3.94Å; T925-T928 PolarHBondContact O-OG1 3.06Å; R926-T928 VanDerWaalsContact C-N 3.32Å; R926-T928 PolarHBondContact O-N 2.97Å; T928-S932 WeakPolarHBondContact O-CB 3.21Å; T928-S932 PolarHBondContact O-N 3.45Å; T928-S932 PolarHBondContact O-OG 2.91Å
929	L	94.9	Very high	91.2	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-65.6	-47.2	177.4	-170.4	70.7	0	0	0	111.3	L520 Y559 L568 V569 R926 S932 H933	L520-L929 HydrophobicContact CD2-CD1 4.19Å; Y559-L929 HydrophobicContact CD1-CD2 3.67Å; Y559-L929 HydrophobicContact CE1-CD2 4.2Å; L568-L929 WeakPolarHBondContact O-CD2 3.28Å; V569-L929 HydrophobicContact CB-CD1 4.46Å; V569-L929 HydrophobicContact CG1-CD1 4.39Å; V569-L929 HydrophobicContact CG2-CD1 4.24Å; R926-L929 PolarHBondContact O-N 3.12Å; L929-S932 PolarHBondContact O-OG 2.9Å; L929-H933 VanDerWaalsContact CD1-CE1 3.41Å; L929-H933 WeakPolarHBondContact CD1-CE1 3.42Å; L929-H933 PolarHBondContact O-N 3.44Å; L929-H933 PolarHBondContact O-ND1 3.2Å
930	F	95.3	Very high	91.7	Very high	67 Å²	67	32.8 Å²	32.8	29%	0.294	17%	0.165	S	C	.	.	H	α-helix	trans	-62	-52.6	-178.7	-175.3	-95.7	0	0	0	111.9	L557 V561 R926 L927 H933 V934	L557-F930 HydrophobicContact CD2-CD2 4Å; L557-F930 HydrophobicContact CD2-CE2 3.89Å; L557-F930 HydrophobicContact CD2-CZ 4.31Å; V561-F930 HydrophobicContact CG2-CD2 3.85Å; V561-F930 HydrophobicContact CG2-CE2 3.58Å; R926-F930 PolarHBondContact O-N 3.03Å; R926-F930 VanDerWaalsContact O-N 3.09Å; L927-F930 PolarHBondContact O-N 3.08Å; F930-H933 PolarHBondContact O-N 3.02Å; F930-V934 HydrophobicContact CD1-CG2 4.25Å; F930-V934 HydrophobicContact CE1-CG2 3.96Å; F930-V934 HydrophobicContact CZ-CG2 4.38Å; F930-V934 WeakPolarHBondContact O-CG2 3.47Å; F930-V934 PolarHBondContact O-N 3.09Å
931	I	96.4	Very high	92	Very high	65 Å²	65	33 Å²	33	33%	0.333	18%	0.177	S	C	.	.	H	α-helix	trans	-69.2	-39.4	-175.5	-62.2	169.2	0	0	0	111.3	I517 L927 H933 V934 L935	I517-I931 HydrophobicContact CD1-CB 4.07Å; I517-I931 HydrophobicContact CD1-CD1 3.89Å; I517-I931 HydrophobicContact CD1-CG2 4.1Å; I517-I931 HydrophobicContact CG1-CB 4.33Å; I517-I931 HydrophobicContact CG1-CG2 4.49Å; I517-I931 HydrophobicContact CG2-CB 4.36Å; I517-I931 HydrophobicContact CG2-CG2 3.84Å; L927-I931 HydrophobicContact CB-CD1 4.26Å; L927-I931 HydrophobicContact CD2-CD1 4.49Å; L927-I931 WeakPolarHBondContact O-CB 3.37Å; L927-I931 VanDerWaalsContact O-CG1 3.26Å; L927-I931 WeakPolarHBondContact O-CG1 3.44Å; L927-I931 PolarHBondContact O-N 3.38Å; I931-H933 VanDerWaalsContact C-N 3.27Å; I931-H933 PolarHBondContact O-N 3.31Å; I931-V934 WeakPolarHBondContact O-CB 3.19Å; I931-V934 PolarHBondContact O-N 3.13Å; I931-L935 WeakPolarHBondContact O-CG 2.98Å; I931-L935 PolarHBondContact O-N 2.84Å
932	S	95.8	Very high	91.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.9	-38.8	175.6	57.5	0	0	0	0	111.9	L520 T928 L929 L935 I936	L520-S932 VanDerWaalsContact CD2-OG 3.3Å; L520-S932 WeakPolarHBondContact CD2-OG 3.35Å; T928-S932 WeakPolarHBondContact O-CB 3.21Å; T928-S932 PolarHBondContact O-N 3.45Å; T928-S932 PolarHBondContact O-OG 2.91Å; L929-S932 PolarHBondContact O-OG 2.9Å; S932-L935 WeakPolarHBondContact O-CB 3.25Å; S932-L935 PolarHBondContact O-N 3.48Å; S932-I936 VanDerWaalsContact O-CG1 3.29Å; S932-I936 WeakPolarHBondContact O-CG1 3.42Å; S932-I936 PolarHBondContact O-N 3.19Å
933	H	96.5	Very high	91	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-73.6	-29.9	175.9	-72.5	83.3	0	0	0	113.4	Q552 G556 L557 L929 F930 I931 L935 I936 G937	Q552-H933 PolarHBondContact NE2-NE2 3.42Å; Q552-H933 PolarHBondContact O-CD2 3.33Å; G556-H933 VanDerWaalsContact CA-CD2 3.5Å; G556-H933 WeakPolarHBondContact CA-CD2 3.33Å; L557-H933 HydrophobicContact CD2-CB 4.07Å; L557-H933 HydrophobicContact CG-CB 4.22Å; L929-H933 VanDerWaalsContact CD1-CE1 3.41Å; L929-H933 WeakPolarHBondContact CD1-CE1 3.42Å; L929-H933 PolarHBondContact O-N 3.44Å; L929-H933 PolarHBondContact O-ND1 3.2Å; F930-H933 PolarHBondContact O-N 3.02Å; I931-H933 VanDerWaalsContact C-N 3.27Å; I931-H933 PolarHBondContact O-N 3.31Å; H933-L935 VanDerWaalsContact C-N 3.31Å; H933-I936 PolarHBondContact O-N 3.23Å; H933-G937 PolarHBondContact O-N 3.44Å
934	V	96.4	Very high	90	Very high	65 Å²	65	35.4 Å²	35.4	39%	0.394	20%	0.2	S	C	.	.	H	α-helix	trans	-59.9	-44	166.8	173.9	0	0	0	0	110.4	L557 F930 I931 G937 L938	L557-V934 HydrophobicContact CD2-CG2 3.57Å; F930-V934 HydrophobicContact CD1-CG2 4.25Å; F930-V934 HydrophobicContact CE1-CG2 3.96Å; F930-V934 HydrophobicContact CZ-CG2 4.38Å; F930-V934 WeakPolarHBondContact O-CG2 3.47Å; F930-V934 PolarHBondContact O-N 3.09Å; I931-V934 WeakPolarHBondContact O-CB 3.19Å; I931-V934 PolarHBondContact O-N 3.13Å; V934-G937 PolarHBondContact O-N 2.9Å; V934-L938 PolarHBondContact O-N 3.47Å
935	L	95.2	Very high	89	Confident	59 Å²	59	42.5 Å²	42.5	31%	0.309	23%	0.227	S	C	.	.	H	α-helix	trans	-65.9	-39.3	177.1	-66.4	173.7	0	0	0	112.4	I517 Y521 I931 S932 H933 G937 L938 S939	I517-L935 HydrophobicContact CG2-CD1 3.75Å; Y521-L935 HydrophobicContact CD2-CB 3.56Å; Y521-L935 HydrophobicContact CE2-CB 3.92Å; Y521-L935 HydrophobicContact CG-CB 4.34Å; I931-L935 WeakPolarHBondContact O-CG 2.98Å; I931-L935 PolarHBondContact O-N 2.84Å; S932-L935 WeakPolarHBondContact O-CB 3.25Å; S932-L935 PolarHBondContact O-N 3.48Å; H933-L935 VanDerWaalsContact C-N 3.31Å; L935-G937 VanDerWaalsContact C-N 3.32Å; L935-G937 PolarHBondContact O-N 2.95Å; L935-L938 PolarHBondContact O-N 3.19Å; L935-S939 PolarHBondContact O-N 3.49Å
936	I	93.9	Very high	88	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.1	-42.4	172.5	-65.8	164.8	0	0	0	110.2	Y521 C524 L525 I549 Q552 S932 H933 S939	Y521-I936 HydrophobicContact CD2-CG1 3.93Å; Y521-I936 HydrophobicContact CE2-CG1 4.37Å; C524-I936 HydrophobicContact CB-CD1 3.62Å; L525-I936 HydrophobicContact CB-CG1 4.37Å; L525-I936 HydrophobicContact CD1-CG2 4.28Å; I549-I936 HydrophobicContact CG2-CG2 3.9Å; Q552-I936 HydrophobicContact CG-CG2 4.35Å; S932-I936 VanDerWaalsContact O-CG1 3.29Å; S932-I936 WeakPolarHBondContact O-CG1 3.42Å; S932-I936 PolarHBondContact O-N 3.19Å; H933-I936 PolarHBondContact O-N 3.23Å; I936-S939 WeakPolarHBondContact O-CB 3.45Å; I936-S939 PolarHBondContact O-N 3.3Å; I936-S939 PolarHBondContact O-OG 3.37Å
937	G	92.8	Very high	86.9	Confident	17 Å²	17	45.6 Å²	45.6	18%	0.175	25%	0.249	C	C	.	.	H	α-helix	trans	-62.1	-43.3	173.9	0	0	0	0	0	112.9	T553 H933 V934 L935 S939 L940	T553-G937 VanDerWaalsContact OG1-CA 3.31Å; T553-G937 WeakPolarHBondContact OG1-CA 3.49Å; T553-G937 PolarHBondContact OG1-N 3.45Å; H933-G937 PolarHBondContact O-N 3.44Å; V934-G937 PolarHBondContact O-N 2.9Å; L935-G937 VanDerWaalsContact C-N 3.32Å; L935-G937 PolarHBondContact O-N 2.95Å; G937-S939 PolarHBondContact O-N 3.26Å; G937-L940 VanDerWaalsContact O-CB 3.29Å; G937-L940 WeakPolarHBondContact O-CB 3.33Å; G937-L940 PolarHBondContact O-N 3.49Å; G937-L940 VanDerWaalsContact O-N 3.12Å
938	L	91.7	Very high	85.9	Confident	109 Å²	109	46.7 Å²	46.7	57%	0.571	26%	0.255	S	S	*	.	H	α-helix	trans	-64	-27.8	175.9	-173.5	61.5	0	0	0	112.2	V934 L935 L940 A941	V934-L938 PolarHBondContact O-N 3.47Å; L935-L938 PolarHBondContact O-N 3.19Å; L938-L940 PolarHBondContact O-N 3.06Å; L938-A941 WeakPolarHBondContact O-CB 3.15Å; L938-A941 PolarHBondContact O-N 3.24Å
939	S	87.9	Confident	85.1	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.014	28%	0.278	C	S	.	.	H	α-helix	trans	-64.8	-17.9	175.5	81.7	0	0	0	0	113.5	L525 L935 I936 G937 A941 M942 I943	L525-S939 WeakPolarHBondContact CD1-OG 3.33Å; L935-S939 PolarHBondContact O-N 3.49Å; I936-S939 WeakPolarHBondContact O-CB 3.45Å; I936-S939 PolarHBondContact O-N 3.3Å; I936-S939 PolarHBondContact O-OG 3.37Å; G937-S939 PolarHBondContact O-N 3.26Å; S939-A941 VanDerWaalsContact C-N 3.27Å; S939-A941 PolarHBondContact O-N 2.83Å; S939-M942 CarbonylContact O-C 3.55Å; S939-M942 WeakPolarHBondContact O-CA 3.32Å; S939-M942 WeakPolarHBondContact O-CB 2.81Å; S939-M942 PolarHBondContact O-N 3.39Å; S939-I943 PolarHBondContact O-N 3.34Å
940	L	84.8	Confident	84.7	Confident	40 Å²	40	53.4 Å²	53.4	21%	0.209	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-62.1	-35.2	170.3	-70.1	165.6	0	0	0	112.1	T546 I549 M550 G937 L938 M942 I943	T546-L940 HydrophobicContact CG2-CD2 4.08Å; I549-L940 HydrophobicContact CB-CD2 3.75Å; I549-L940 HydrophobicContact CB-CG 4.4Å; I549-L940 HydrophobicContact CG2-CD1 4.26Å; I549-L940 HydrophobicContact CG2-CD2 3.52Å; I549-L940 HydrophobicContact CG2-CG 3.62Å; M550-L940 HydrophobicContact CE-CD1 4.1Å; M550-L940 HydrophobicContact CG-CD1 3.49Å; M550-L940 VanDerWaalsContact CG-CD1 3.49Å; M550-L940 HydrophobicContact CG-CD2 4.13Å; M550-L940 HydrophobicContact CG-CG 4.49Å; G937-L940 VanDerWaalsContact O-CB 3.29Å; G937-L940 WeakPolarHBondContact O-CB 3.33Å; G937-L940 PolarHBondContact O-N 3.49Å; G937-L940 VanDerWaalsContact O-N 3.12Å; L938-L940 PolarHBondContact O-N 3.06Å; L940-M942 PolarHBondContact O-N 3.47Å; L940-I943 HydrophobicContact CD2-CD1 3.9Å; L940-I943 PolarHBondContact O-N 3.4Å
941	A	82.5	Confident	84.2	Confident	75 Å²	75	50.7 Å²	50.7	62%	0.62	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-72.6	-14	175.2	0	0	0	0	0	112.8	L938 S939	L938-A941 WeakPolarHBondContact O-CB 3.15Å; L938-A941 PolarHBondContact O-N 3.24Å; S939-A941 VanDerWaalsContact C-N 3.27Å; S939-A941 PolarHBondContact O-N 2.83Å
942	M	77.9	Confident	83.7	Confident	89 Å²	89	49.2 Å²	49.2	44%	0.438	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-95.6	6.5	176.3	-63.7	-71	110	0	0	112.2	S939 L940 P944 Y945 L947	S939-M942 CarbonylContact O-C 3.55Å; S939-M942 WeakPolarHBondContact O-CA 3.32Å; S939-M942 WeakPolarHBondContact O-CB 2.81Å; S939-M942 PolarHBondContact O-N 3.39Å; L940-M942 PolarHBondContact O-N 3.47Å; M942-P944 CarbonylContact O-C 3.28Å; M942-P944 VanDerWaalsContact O-C 3.28Å; M942-Y945 CarbonylContact C-O 3.19Å; M942-Y945 CarbonylContact O-C 3.49Å; M942-Y945 PolarHBondContact O-N 3.15Å; M942-L947 HydrophobicContact CB-CD1 3.53Å
943	I	71.3	Confident	83.5	Confident	43 Å²	43	49.3 Å²	49.3	22%	0.221	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	125.5	173.5	-63.9	176.6	0	0	0	108.5	I549 V808 S939 L940 L947	I549-I943 HydrophobicContact CD1-CD1 3.97Å; V808-I943 HydrophobicContact CB-CG2 4.48Å; V808-I943 HydrophobicContact CG1-CG2 3.6Å; S939-I943 PolarHBondContact O-N 3.34Å; L940-I943 HydrophobicContact CD2-CD1 3.9Å; L940-I943 PolarHBondContact O-N 3.4Å; I943-L947 HydrophobicContact CG1-CD2 4.42Å
944	P	70	Confident	83.3	Confident	54 Å²	54	49.3 Å²	49.3	35%	0.351	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	cis	-93.4	-24.9	4.1	32.4	-31.4	0	0	0	115.4	M942 L947 I948	M942-P944 CarbonylContact O-C 3.28Å; M942-P944 VanDerWaalsContact O-C 3.28Å; P944-L947 PolarHBondContact O-N 3.02Å; P944-L947 VanDerWaalsContact O-N 3.13Å; P944-I948 PolarHBondContact O-N 3.16Å
945	Y	70.2	Confident	83	Confident	154 Å²	154	46.8 Å²	46.8	60%	0.604	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	130.2	-178	-61	-81.8	0	0	0	111.2	M942 I948 Y949	M942-Y945 CarbonylContact C-O 3.19Å; M942-Y945 CarbonylContact O-C 3.49Å; M942-Y945 PolarHBondContact O-N 3.15Å; Y945-I948 HydrophobicContact CD1-CG2 3.67Å; Y945-I948 HydrophobicContact CE1-CG2 3.81Å; Y945-I948 HydrophobicContact CG-CG2 4.46Å; Y945-Y949 HydrophobicContact CD1-CE2 4.31Å
946	P	71.3	Confident	82.8	Confident	70 Å²	70	44.1 Å²	44.1	46%	0.455	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	cis	-96.1	5.9	9.4	35.9	-36.6	0	0	0	116.1	I948 Y949	P946-I948 PolarHBondContact O-N 3.09Å; P946-I948 VanDerWaalsContact O-N 3.17Å; P946-Y949 HydrophobicContact CB-CD2 3.68Å; P946-Y949 HydrophobicContact CB-CE2 4.06Å; P946-Y949 WeakPolarHBondContact O-CB 3.35Å; P946-Y949 VanDerWaalsContact O-CD2 3.28Å; P946-Y949 WeakPolarHBondContact O-CD2 3.46Å; P946-Y949 PolarHBondContact O-N 3.02Å
947	L	71.4	Confident	82.8	Confident	20 Å²	20	44.1 Å²	44.1	11%	0.105	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-59.9	-30.1	-174.6	-87.2	74	0	0	0	113.3	L525 I529 M942 I943 P944 Y949 I950	L525-L947 HydrophobicContact CD2-CD2 4.39Å; I529-L947 HydrophobicContact CD1-CD2 3.79Å; M942-L947 HydrophobicContact CB-CD1 3.53Å; I943-L947 HydrophobicContact CG1-CD2 4.42Å; P944-L947 PolarHBondContact O-N 3.02Å; P944-L947 VanDerWaalsContact O-N 3.13Å; L947-Y949 PolarHBondContact O-N 2.98Å; L947-I950 PolarHBondContact O-N 3.21Å
948	I	72.9	Confident	82.8	Confident	50 Å²	50	43.3 Å²	43.3	26%	0.256	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-63.7	-18.2	177.7	-159.5	160.6	0	0	0	114	P805 P944 Y945 P946 I950	P805-I948 HydrophobicContact CB-CD1 4.38Å; P805-I948 HydrophobicContact CB-CG1 4.2Å; P944-I948 PolarHBondContact O-N 3.16Å; Y945-I948 HydrophobicContact CD1-CG2 3.67Å; Y945-I948 HydrophobicContact CE1-CG2 3.81Å; Y945-I948 HydrophobicContact CG-CG2 4.46Å; P946-I948 PolarHBondContact O-N 3.09Å; P946-I948 VanDerWaalsContact O-N 3.17Å; I948-I950 PolarHBondContact O-N 2.69Å
949	Y	77.8	Confident	82.9	Confident	122 Å²	122	38.6 Å²	38.6	48%	0.478	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-74.6	-11.1	177.3	-66.1	-57.1	0	0	0	113.8	S795 Y945 P946 L947 P951	S795-Y949 VanDerWaalsContact OG-CD1 3.31Å; S795-Y949 WeakPolarHBondContact OG-CD1 3.44Å; Y945-Y949 HydrophobicContact CD1-CE2 4.31Å; P946-Y949 HydrophobicContact CB-CD2 3.68Å; P946-Y949 HydrophobicContact CB-CE2 4.06Å; P946-Y949 WeakPolarHBondContact O-CB 3.35Å; P946-Y949 VanDerWaalsContact O-CD2 3.28Å; P946-Y949 WeakPolarHBondContact O-CD2 3.46Å; P946-Y949 PolarHBondContact O-N 3.02Å; L947-Y949 PolarHBondContact O-N 2.98Å; Y949-P951 WeakPolarHBondContact O-CD 3.48Å
950	I	86.3	Confident	83.2	Confident	21 Å²	21	39.6 Å²	39.6	11%	0.108	21%	0.209	C	C	.	.	S	Bend	trans	-84.2	109.8	179.3	-58.7	176.1	0	0	0	107.8	L526 F806 L947 I948 V954	L526-I950 HydrophobicContact CD2-CD1 3.87Å; L526-I950 HydrophobicContact CD2-CG2 4.13Å; F806-I950 HydrophobicContact CE2-CB 4.43Å; F806-I950 WeakPolarHBondContact CE2-O 3.48Å; F806-I950 WeakPolarHBondContact CZ-O 3.46Å; L947-I950 PolarHBondContact O-N 3.21Å; I948-I950 PolarHBondContact O-N 2.69Å; I950-V954 HydrophobicContact CG2-CG1 4.47Å
951	P	85.8	Confident	83.6	Confident	10 Å²	10	38.1 Å²	38.1	7%	0.065	20%	0.2	C	C	.	.			trans	-76.5	145.1	-176.2	31.3	-33.2	0	0	0	110.9	L750 L803 Y949 P953 V954	L750-P951 HydrophobicContact CD1-CB 4.33Å; L750-P951 HydrophobicContact CD1-CG 3.91Å; L803-P951 HydrophobicContact CD1-CB 3.73Å; Y949-P951 WeakPolarHBondContact O-CD 3.48Å; P951-P953 VanDerWaalsContact C-N 3.35Å; P951-P953 HydrophobicContact CB-CG 4.03Å; P951-P953 HydrophobicContact CG-CG 4.4Å; P951-V954 HydrophobicContact CG-CB 4.32Å; P951-V954 HydrophobicContact CG-CG2 3.65Å; P951-V954 WeakPolarHBondContact O-CB 3.22Å; P951-V954 PolarHBondContact O-N 2.8Å
952	P	85.7	Confident	84	Confident	34 Å²	34	34.6 Å²	34.6	22%	0.221	17%	0.171	C	C	.	.	H	α-helix	trans	-47.2	-38.8	175.5	-26.4	31.9	0	0	0	116.8	F806 V954 L955 N956	F806-P952 HydrophobicContact CD1-CG 4.32Å; F806-P952 HydrophobicContact CE1-CB 4.39Å; F806-P952 HydrophobicContact CE1-CG 3.76Å; F806-P952 HydrophobicContact CZ-CG 4.26Å; P952-V954 PolarHBondContact O-N 3.32Å; P952-L955 VanDerWaalsContact O-CB 3.29Å; P952-L955 WeakPolarHBondContact O-CB 3.47Å; P952-L955 PolarHBondContact O-N 2.65Å; P952-L955 VanDerWaalsContact O-N 3.09Å; P952-N956 PolarHBondContact O-N 3.04Å
953	P	91.1	Very high	84.7	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.006	15%	0.151	C	C	.	.	H	α-helix	trans	-59.4	-30.2	176.2	19.2	-33.8	0	0	0	114.5	Y747 L750 L751 L803 P951 L955 N956 G957	Y747-P953 HydrophobicContact CD1-CB 3.9Å; Y747-P953 HydrophobicContact CD2-CB 3.71Å; Y747-P953 HydrophobicContact CD2-CG 3.85Å; Y747-P953 HydrophobicContact CE1-CB 4.05Å; Y747-P953 HydrophobicContact CE2-CB 3.88Å; Y747-P953 HydrophobicContact CE2-CG 4.2Å; Y747-P953 HydrophobicContact CG-CB 3.73Å; Y747-P953 HydrophobicContact CG-CG 4.21Å; Y747-P953 VanDerWaalsContact O-CB 3.31Å; Y747-P953 WeakPolarHBondContact O-CB 3.39Å; L750-P953 HydrophobicContact CB-CB 3.83Å; L750-P953 HydrophobicContact CB-CG 3.83Å; L750-P953 HydrophobicContact CD1-CG 3.72Å; L750-P953 HydrophobicContact CG-CG 4.42Å; L751-P953 WeakPolarHBondContact CA-O 3.18Å; L751-P953 HydrophobicContact CB-CB 4.32Å; L803-P953 HydrophobicContact CD1-CG 4.32Å; P951-P953 VanDerWaalsContact C-N 3.35Å; P951-P953 HydrophobicContact CB-CG 4.03Å; P951-P953 HydrophobicContact CG-CG 4.4Å; P953-L955 VanDerWaalsContact C-N 3.33Å; P953-N956 PolarHBondContact O-N 3.48Å; P953-G957 PolarHBondContact O-N 3.11Å
954	V	92.3	Very high	85.8	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-68.5	-36.3	176.7	172	0	0	0	0	110.6	L750 T754 V787 M790 I950 P951 P952 G957 L958	L750-V954 HydrophobicContact CB-CG2 4.43Å; T754-V954 HydrophobicContact CG2-CG1 4.11Å; V787-V954 HydrophobicContact CB-CG1 4.3Å; V787-V954 HydrophobicContact CG1-CG1 4.04Å; V787-V954 HydrophobicContact CG2-CG1 4.31Å; M790-V954 HydrophobicContact CB-CG2 3.77Å; I950-V954 HydrophobicContact CG2-CG1 4.47Å; P951-V954 HydrophobicContact CG-CB 4.32Å; P951-V954 HydrophobicContact CG-CG2 3.65Å; P951-V954 WeakPolarHBondContact O-CB 3.22Å; P951-V954 PolarHBondContact O-N 2.8Å; P952-V954 PolarHBondContact O-N 3.32Å; V954-G957 PolarHBondContact O-N 3.35Å; V954-L958 PolarHBondContact O-N 3.27Å
955	L	89.4	Confident	86.6	Confident	12 Å²	12	28.9 Å²	28.9	6%	0.063	14%	0.14	C	C	.	.	H	α-helix	trans	-63.9	-42.9	175.2	179.3	65.7	0	0	0	111.6	L526 A530 P952 P953 G957 L958 F959	L526-L955 HydrophobicContact CB-CD1 3.66Å; L526-L955 WeakPolarHBondContact O-CD1 3.49Å; A530-L955 HydrophobicContact CB-CD1 4.22Å; A530-L955 HydrophobicContact CB-CD2 3.31Å; A530-L955 HydrophobicContact CB-CG 4.14Å; P952-L955 VanDerWaalsContact O-CB 3.29Å; P952-L955 WeakPolarHBondContact O-CB 3.47Å; P952-L955 PolarHBondContact O-N 2.65Å; P952-L955 VanDerWaalsContact O-N 3.09Å; P953-L955 VanDerWaalsContact C-N 3.33Å; L955-G957 VanDerWaalsContact C-N 3.32Å; L955-G957 PolarHBondContact O-N 2.88Å; L955-L958 HydrophobicContact CD1-CD2 4.21Å; L955-L958 WeakPolarHBondContact O-CA 3.43Å; L955-L958 VanDerWaalsContact O-CB 3.3Å; L955-L958 WeakPolarHBondContact O-CB 3.29Å; L955-L958 PolarHBondContact O-N 3.38Å; L955-L958 VanDerWaalsContact O-N 3.13Å; L955-F959 HydrophobicContact CD1-CE1 4.16Å; L955-F959 HydrophobicContact CD1-CE2 4.5Å; L955-F959 HydrophobicContact CD1-CZ 3.96Å; L955-F959 HydrophobicContact CD2-CE2 4.46Å; L955-F959 HydrophobicContact CD2-CZ 4.4Å; L955-F959 HydrophobicContact CG-CE2 4.01Å; L955-F959 HydrophobicContact CG-CZ 3.94Å; L955-F959 PolarHBondContact O-N 3.41Å
956	N	92	Very high	87.4	Confident	3 Å²	3	22.4 Å²	22.4	2%	0.016	12%	0.118	C	C	.	.	H	α-helix	trans	-69.2	-32	174.9	-75.8	-22.6	0	0	0	112.5	A644 D647 Y747 L751 P952 P953 F959 I960	A644-N956 HydrophobicContact CB-CB 3.95Å; D647-N956 WeakPolarHBondContact CB-ND2 3.39Å; D647-N956 PolarHBondContact OD2-ND2 3.11Å; D647-N956 PolarHBondContact OD2-OD1 3.46Å; Y747-N956 PolarHBondContact OH-ND2 3.1Å; L751-N956 HydrophobicContact CD1-CB 3.82Å; P952-N956 PolarHBondContact O-N 3.04Å; P953-N956 PolarHBondContact O-N 3.48Å; N956-F959 PolarHBondContact O-N 3.13Å; N956-F959 WeakPolarHBondContact OD1-CD2 3.26Å; N956-I960 WeakPolarHBondContact O-CG1 3.37Å; N956-I960 PolarHBondContact O-N 2.95Å; N956-I960 VanDerWaalsContact O-N 3.08Å
957	G	94.7	Very high	88.2	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.5	-41.7	166.8	0	0	0	0	0	112.9	V755 P953 V954 L955 I960 Y961	V755-G957 VanDerWaalsContact CG2-O 3.29Å; V755-G957 WeakPolarHBondContact CG2-O 3.33Å; P953-G957 PolarHBondContact O-N 3.11Å; V954-G957 PolarHBondContact O-N 3.35Å; L955-G957 VanDerWaalsContact C-N 3.32Å; L955-G957 PolarHBondContact O-N 2.88Å; G957-I960 PolarHBondContact O-N 3.35Å; G957-Y961 PolarHBondContact O-N 3.48Å
958	L	92.4	Very high	88.6	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.9	-45.2	172.3	159.5	70.4	0	0	0	111.7	L526 P527 L783 V954 L955 I960 Y961 M962	L526-L958 HydrophobicContact CB-CD2 3.5Å; L526-L958 VanDerWaalsContact CB-CD2 3.5Å; L526-L958 HydrophobicContact CD1-CD2 3.65Å; L526-L958 HydrophobicContact CG-CD2 4.23Å; P527-L958 HydrophobicContact CG-CD2 4.48Å; L783-L958 HydrophobicContact CD1-CB 4.5Å; L783-L958 HydrophobicContact CD1-CD1 3.34Å; L783-L958 HydrophobicContact CD1-CG 4.45Å; L783-L958 HydrophobicContact CD2-CD1 3.67Å; L783-L958 HydrophobicContact CG-CD1 4.12Å; V954-L958 PolarHBondContact O-N 3.27Å; L955-L958 HydrophobicContact CD1-CD2 4.21Å; L955-L958 WeakPolarHBondContact O-CA 3.43Å; L955-L958 VanDerWaalsContact O-CB 3.3Å; L955-L958 WeakPolarHBondContact O-CB 3.29Å; L955-L958 PolarHBondContact O-N 3.38Å; L955-L958 VanDerWaalsContact O-N 3.13Å; L958-I960 VanDerWaalsContact C-N 3.32Å; L958-I960 PolarHBondContact O-N 3.44Å; L958-Y961 HydrophobicContact CD1-CD1 4.4Å; L958-Y961 WeakPolarHBondContact O-CB 3.41Å; L958-Y961 PolarHBondContact O-N 3.27Å; L958-M962 HydrophobicContact CD1-CE 4.11Å; L958-M962 HydrophobicContact CD1-CG 3.74Å; L958-M962 HydrophobicContact CD1-SD 3.91Å; L958-M962 HydrophobicContact CD2-CE 4.43Å; L958-M962 HydrophobicContact CG-CE 3.99Å; L958-M962 HydrophobicContact CG-CG 4.47Å; L958-M962 HydrophobicContact CG-SD 4.44Å; L958-M962 WeakPolarHBondContact O-CG 3.4Å; L958-M962 PolarHBondContact O-N 3.03Å
959	F	92.3	Very high	88.8	Confident	11 Å²	11	23.9 Å²	23.9	5%	0.048	13%	0.133	C	C	.	.	H	α-helix	trans	-60	-42	178.5	-67.5	-27.4	0	0	0	112.2	P527 A530 F640 A644 L955 N956 M962 A963	P527-F959 HydrophobicContact CB-CE1 4.02Å; P527-F959 HydrophobicContact CG-CE1 4.03Å; A530-F959 HydrophobicContact CB-CE2 4.26Å; A530-F959 HydrophobicContact CB-CZ 3.65Å; F640-F959 HydrophobicContact CB-CB 4.45Å; F640-F959 HydrophobicContact CD1-CB 4.13Å; F640-F959 AromaticContact CD1-CD1 3.77Å; F640-F959 HydrophobicContact CD1-CD1 3.77Å; F640-F959 HydrophobicContact CD1-CE1 4.35Å; F640-F959 AromaticContact CD1-CG 3.99Å; F640-F959 HydrophobicContact CD1-CG 3.99Å; F640-F959 AromaticContact CE1-CD1 3.93Å; F640-F959 HydrophobicContact CE1-CD1 3.93Å; F640-F959 HydrophobicContact CE1-CE1 4.12Å; A644-F959 HydrophobicContact CB-CB 4.19Å; L955-F959 HydrophobicContact CD1-CE1 4.16Å; L955-F959 HydrophobicContact CD1-CE2 4.5Å; L955-F959 HydrophobicContact CD1-CZ 3.96Å; L955-F959 HydrophobicContact CD2-CE2 4.46Å; L955-F959 HydrophobicContact CD2-CZ 4.4Å; L955-F959 HydrophobicContact CG-CE2 4.01Å; L955-F959 HydrophobicContact CG-CZ 3.94Å; L955-F959 PolarHBondContact O-N 3.41Å; N956-F959 PolarHBondContact O-N 3.13Å; N956-F959 WeakPolarHBondContact OD1-CD2 3.26Å; F959-M962 HydrophobicContact CD1-CE 3.65Å; F959-M962 HydrophobicContact CE1-CE 4.2Å; F959-M962 PolarHBondContact O-N 2.94Å; F959-A963 WeakPolarHBondContact O-CB 3.46Å; F959-A963 PolarHBondContact O-N 3.24Å
960	I	95.1	Very high	89.1	Confident	23 Å²	23	18.7 Å²	18.7	12%	0.118	11%	0.113	C	C	.	.	H	α-helix	trans	-64.6	-43.5	174.5	-65.7	170.5	0	0	0	111.1	L641 A644 L751 V755 N956 G957 L958 M962 A963 I964	L641-I960 HydrophobicContact CD1-CG1 4Å; L641-I960 HydrophobicContact CD1-CG2 4.39Å; A644-I960 HydrophobicContact CB-CD1 4.06Å; A644-I960 HydrophobicContact CB-CG1 3.7Å; L751-I960 HydrophobicContact CD1-CD1 4.28Å; L751-I960 HydrophobicContact CD2-CD1 3.59Å; L751-I960 HydrophobicContact CG-CD1 4.14Å; V755-I960 HydrophobicContact CG1-CG2 4.03Å; V755-I960 HydrophobicContact CG2-CB 3.7Å; V755-I960 HydrophobicContact CG2-CD1 4.37Å; V755-I960 HydrophobicContact CG2-CG2 3.65Å; N956-I960 WeakPolarHBondContact O-CG1 3.37Å; N956-I960 PolarHBondContact O-N 2.95Å; N956-I960 VanDerWaalsContact O-N 3.08Å; G957-I960 PolarHBondContact O-N 3.35Å; L958-I960 VanDerWaalsContact C-N 3.32Å; L958-I960 PolarHBondContact O-N 3.44Å; I960-M962 VanDerWaalsContact C-N 3.35Å; I960-M962 PolarHBondContact O-N 3.3Å; I960-A963 WeakPolarHBondContact O-CB 3.47Å; I960-A963 PolarHBondContact O-N 3.05Å; I960-I964 HydrophobicContact CG2-CD1 3.71Å; I960-I964 HydrophobicContact CG2-CG1 4.36Å; I960-I964 WeakPolarHBondContact O-CG1 3.46Å; I960-I964 PolarHBondContact O-N 3.27Å
961	Y	93.6	Very high	89.1	Confident	9 Å²	9	18.2 Å²	18.2	4%	0.035	11%	0.111	C	C	.	.	H	α-helix	trans	-58.3	-46.2	175.5	165.4	-96.7	0	0	0	111.8	F519 A758 L759 L762 L783 G957 L958 I964 T965	F519-Y961 HydrophobicContact CE2-CE1 4.48Å; A758-Y961 HydrophobicContact CB-CD2 3.4Å; A758-Y961 VanDerWaalsContact CB-CD2 3.4Å; A758-Y961 HydrophobicContact CB-CE2 3.76Å; A758-Y961 HydrophobicContact CB-CG 3.97Å; L759-Y961 HydrophobicContact CD2-CD2 4.12Å; L762-Y961 HydrophobicContact CD2-CE2 4.47Å; L783-Y961 HydrophobicContact CB-CE1 3.95Å; L783-Y961 HydrophobicContact CD1-CD1 4Å; L783-Y961 HydrophobicContact CD1-CE1 4.19Å; L783-Y961 HydrophobicContact CD2-CE1 4.29Å; L783-Y961 HydrophobicContact CG-CE1 4.36Å; G957-Y961 PolarHBondContact O-N 3.48Å; L958-Y961 HydrophobicContact CD1-CD1 4.4Å; L958-Y961 WeakPolarHBondContact O-CB 3.41Å; L958-Y961 PolarHBondContact O-N 3.27Å; Y961-I964 PolarHBondContact O-N 3.06Å; Y961-T965 HydrophobicContact CD2-CG2 3.92Å; Y961-T965 HydrophobicContact CE1-CG2 4.29Å; Y961-T965 HydrophobicContact CE2-CG2 3.5Å; Y961-T965 VanDerWaalsContact CE2-CG2 3.5Å; Y961-T965 HydrophobicContact CG-CG2 4.5Å; Y961-T965 WeakPolarHBondContact O-CB 3.38Å; Y961-T965 WeakPolarHBondContact O-CG2 3.2Å; Y961-T965 PolarHBondContact O-N 2.83Å; Y961-T965 PolarHBondContact O-OG1 2.92Å
962	M	90.9	Very high	89.3	Confident	1 Å²	1	17.8 Å²	17.8	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-64.5	-40.4	177.3	-71.5	-164.9	-59.5	0	0	111.8	P527 F640 P893 H894 L897 L958 F959 I960 T965 A966	P527-M962 HydrophobicContact CG-CE 4.05Å; F640-M962 HydrophobicContact CE1-CE 4.37Å; P893-M962 HydrophobicContact CG-CB 3.93Å; H894-M962 PolarHBondContact CE1-SD 2.77Å; L897-M962 HydrophobicContact CD1-CG 4.3Å; L958-M962 HydrophobicContact CD1-CE 4.11Å; L958-M962 HydrophobicContact CD1-CG 3.74Å; L958-M962 HydrophobicContact CD1-SD 3.91Å; L958-M962 HydrophobicContact CD2-CE 4.43Å; L958-M962 HydrophobicContact CG-CE 3.99Å; L958-M962 HydrophobicContact CG-CG 4.47Å; L958-M962 HydrophobicContact CG-SD 4.44Å; L958-M962 WeakPolarHBondContact O-CG 3.4Å; L958-M962 PolarHBondContact O-N 3.03Å; F959-M962 HydrophobicContact CD1-CE 3.65Å; F959-M962 HydrophobicContact CE1-CE 4.2Å; F959-M962 PolarHBondContact O-N 2.94Å; I960-M962 VanDerWaalsContact C-N 3.35Å; I960-M962 PolarHBondContact O-N 3.3Å; M962-T965 WeakPolarHBondContact CA-OG1 3.24Å; M962-T965 PolarHBondContact O-OG1 3.09Å; M962-A966 WeakPolarHBondContact O-CB 3.3Å; M962-A966 PolarHBondContact O-N 3.38Å
963	A	93	Very high	89.6	Confident	3 Å²	3	19.1 Å²	19.1	3%	0.025	11%	0.11	C	C	.	.	H	α-helix	trans	-58.6	-49.3	174.9	0	0	0	0	0	111.4	S637 F640 L641 F959 I960 A966 L967	S637-A963 WeakPolarHBondContact O-CB 3.35Å; S637-A963 PolarHBondContact OG-O 3.02Å; F640-A963 HydrophobicContact CB-CB 4.13Å; L641-A963 HydrophobicContact CB-CB 4.38Å; F959-A963 WeakPolarHBondContact O-CB 3.46Å; F959-A963 PolarHBondContact O-N 3.24Å; I960-A963 WeakPolarHBondContact O-CB 3.47Å; I960-A963 PolarHBondContact O-N 3.05Å; A963-A966 PolarHBondContact O-N 3.04Å; A963-L967 WeakPolarHBondContact O-CG 3.45Å; A963-L967 PolarHBondContact O-N 3.42Å
964	I	93	Very high	89.4	Confident	58 Å²	58	23 Å²	23	30%	0.297	13%	0.128	S	C	.	.	H	α-helix	trans	-66.6	-45.3	-178.2	-66.7	169	0	0	0	111.6	V755 L759 I960 Y961 A966 L967 Q968	V755-I964 HydrophobicContact CG1-CD1 4.27Å; L759-I964 HydrophobicContact CD1-CD1 3.92Å; L759-I964 HydrophobicContact CD1-CG2 4.48Å; L759-I964 HydrophobicContact CD2-CB 4.49Å; L759-I964 HydrophobicContact CD2-CG2 3.9Å; I960-I964 HydrophobicContact CG2-CD1 3.71Å; I960-I964 HydrophobicContact CG2-CG1 4.36Å; I960-I964 WeakPolarHBondContact O-CG1 3.46Å; I960-I964 PolarHBondContact O-N 3.27Å; Y961-I964 PolarHBondContact O-N 3.06Å; I964-A966 VanDerWaalsContact C-N 3.29Å; I964-A966 PolarHBondContact O-N 3.33Å; I964-L967 WeakPolarHBondContact O-CB 3.29Å; I964-L967 PolarHBondContact O-N 2.92Å; I964-Q968 PolarHBondContact O-N 3.29Å
965	T	87.9	Confident	89.3	Confident	4 Å²	4	23 Å²	23	3%	0.025	13%	0.128	C	C	.	.	H	α-helix	trans	-70.8	-25.1	-178.5	51.8	0	0	0	0	113.3	L762 K900 Y961 M962	L762-T965 HydrophobicContact CD2-CG2 3.6Å; K900-T965 PolarHBondContact NZ-O 3.07Å; Y961-T965 HydrophobicContact CD2-CG2 3.92Å; Y961-T965 HydrophobicContact CE1-CG2 4.29Å; Y961-T965 HydrophobicContact CE2-CG2 3.5Å; Y961-T965 VanDerWaalsContact CE2-CG2 3.5Å; Y961-T965 HydrophobicContact CG-CG2 4.5Å; Y961-T965 WeakPolarHBondContact O-CB 3.38Å; Y961-T965 WeakPolarHBondContact O-CG2 3.2Å; Y961-T965 PolarHBondContact O-N 2.83Å; Y961-T965 PolarHBondContact O-OG1 2.92Å; M962-T965 WeakPolarHBondContact CA-OG1 3.24Å; M962-T965 PolarHBondContact O-OG1 3.09Å
966	A	86	Confident	89.5	Confident	18 Å²	18	24.2 Å²	24.2	15%	0.149	14%	0.135	C	C	.	.	H	α-helix	trans	-71.4	-30.3	170.7	0	0	0	0	0	113.3	S637 P893 M962 A963 I964 Q968	S637-A966 VanDerWaalsContact OG-CB 3.32Å; S637-A966 WeakPolarHBondContact OG-CB 3.42Å; P893-A966 HydrophobicContact CB-CB 3.38Å; P893-A966 HydrophobicContact CG-CB 4.08Å; M962-A966 WeakPolarHBondContact O-CB 3.3Å; M962-A966 PolarHBondContact O-N 3.38Å; A963-A966 PolarHBondContact O-N 3.04Å; I964-A966 VanDerWaalsContact C-N 3.29Å; I964-A966 PolarHBondContact O-N 3.33Å; A966-Q968 VanDerWaalsContact C-N 3.32Å
967	L	87.9	Confident	89.4	Confident	33 Å²	33	27.9 Å²	27.9	17%	0.173	15%	0.154	C	C	.	.	H	α-helix	trans	-70.6	-29.1	174.6	-65.5	174.4	0	0	0	112.3	M634 A963 I964 G969 N970 F973	M634-L967 HydrophobicContact CE-CD2 3.79Å; M634-L967 HydrophobicContact SD-CD2 3.21Å; M634-L967 WeakPolarHBondContact SD-CD2 3.38Å; A963-L967 WeakPolarHBondContact O-CG 3.45Å; A963-L967 PolarHBondContact O-N 3.42Å; I964-L967 WeakPolarHBondContact O-CB 3.29Å; I964-L967 PolarHBondContact O-N 2.92Å; L967-G969 PolarHBondContact O-N 3.31Å; L967-N970 WeakPolarHBondContact O-CB 3.21Å; L967-N970 PolarHBondContact O-N 2.67Å; L967-N970 VanDerWaalsContact O-N 3.11Å; L967-F973 HydrophobicContact CB-CD1 4.16Å; L967-F973 HydrophobicContact CB-CE1 4.4Å; L967-F973 HydrophobicContact CB-CG 4.25Å; L967-F973 HydrophobicContact CD1-CD2 4.41Å; L967-F973 HydrophobicContact CD1-CE2 4.16Å; L967-F973 HydrophobicContact CD1-CZ 4.39Å; L967-F973 HydrophobicContact CD2-CD2 4.23Å; L967-F973 HydrophobicContact CD2-CG 4.42Å
968	Q	81.6	Confident	89	Confident	83 Å²	83	28.2 Å²	28.2	39%	0.388	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	116.7	178.2	-66.4	-179.8	-8.1	0	0	110.5	K900 I964 A966	K900-Q968 PolarHBondContact NZ-O 2.94Å; I964-Q968 PolarHBondContact O-N 3.29Å; A966-Q968 VanDerWaalsContact C-N 3.32Å
969	G	76.2	Confident	88.8	Confident	55 Å²	55	32.6 Å²	32.6	57%	0.567	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.6	-0.7	-177.4	0	0	0	0	0	115	L967 Q971	L967-G969 PolarHBondContact O-N 3.31Å; G969-Q971 PolarHBondContact O-N 3.39Å
970	N	84.7	Confident	88.6	Confident	13 Å²	13	39.2 Å²	39.2	7%	0.07	21%	0.209	C	C	.	.			trans	-79.1	115.1	169.7	-171.5	-25.2	0	0	0	109.7	E630 M634 L967 M972 F973 E974	E630-N970 WeakPolarHBondContact CB-OD1 3.24Å; E630-N970 WeakPolarHBondContact CG-OD1 3.41Å; E630-N970 PolarHBondContact O-ND2 3.48Å; E630-N970 VanDerWaalsContact O-ND2 3.07Å; M634-N970 WeakPolarHBondContact CG-ND2 3.35Å; L967-N970 WeakPolarHBondContact O-CB 3.21Å; L967-N970 PolarHBondContact O-N 2.67Å; L967-N970 VanDerWaalsContact O-N 3.11Å; N970-M972 VanDerWaalsContact C-N 3.27Å; N970-M972 PolarHBondContact O-N 3.26Å; N970-M972 WeakPolarHBondContact OD1-CB 3.32Å; N970-M972 PolarHBondContact OD1-N 2.78Å; N970-F973 HydrophobicContact CB-CB 4.2Å; N970-F973 WeakPolarHBondContact O-CB 3.29Å; N970-F973 PolarHBondContact O-N 3.26Å; N970-E974 PolarHBondContact O-N 3.1Å
971	Q	86.1	Confident	88.1	Confident	12 Å²	12	40.5 Å²	40.5	6%	0.056	22%	0.218	C	C	.	.	H	α-helix	trans	-66.7	-27.7	-176.6	-59.8	-170.5	-15.2	0	0	112.7	E630 G969 F973 E974 R975	E630-Q971 WeakPolarHBondContact OE1-CB 3.37Å; G969-Q971 PolarHBondContact O-N 3.39Å; Q971-F973 VanDerWaalsContact C-N 3.32Å; Q971-E974 PolarHBondContact O-N 3.09Å; Q971-R975 WeakPolarHBondContact O-CB 3.42Å; Q971-R975 VanDerWaalsContact O-CG 3.27Å; Q971-R975 WeakPolarHBondContact O-CG 3.3Å; Q971-R975 PolarHBondContact O-N 3.49Å; Q971-R975 PolarHBondContact O-NE 3.45Å
972	M	89.7	Confident	87.4	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.6	-44.9	171.1	-178.8	-179.2	169.5	0	0	110.6	E630 I631 M634 N970 R975 I976 Q1007 L1008 L1011	E630-M972 HydrophobicContact CB-CB 3.99Å; E630-M972 PolarHBondContact OE2-N 3.12Å; I631-M972 HydrophobicContact CG1-CE 4.44Å; I631-M972 HydrophobicContact CG1-SD 3.74Å; M634-M972 HydrophobicContact CB-SD 4.5Å; M634-M972 HydrophobicContact CG-CB 4.48Å; M634-M972 HydrophobicContact CG-CE 4.48Å; M634-M972 HydrophobicContact CG-CG 4.36Å; M634-M972 HydrophobicContact CG-SD 3.8Å; N970-M972 VanDerWaalsContact C-N 3.27Å; N970-M972 PolarHBondContact O-N 3.26Å; N970-M972 WeakPolarHBondContact OD1-CB 3.32Å; N970-M972 PolarHBondContact OD1-N 2.78Å; M972-R975 PolarHBondContact O-N 3.27Å; M972-I976 HydrophobicContact CE-CD1 4.07Å; M972-I976 HydrophobicContact CG-CD1 4.13Å; M972-I976 VanDerWaalsContact O-CG1 3.29Å; M972-I976 WeakPolarHBondContact O-CG1 3.37Å; M972-I976 PolarHBondContact O-N 3.17Å; M972-Q1007 HydrophobicContact CE-CB 3.82Å; M972-Q1007 HydrophobicContact SD-CB 4.05Å; M972-L1008 HydrophobicContact CE-CD2 4.02Å; M972-L1008 HydrophobicContact CE-CG 4.42Å; M972-L1011 HydrophobicContact CE-CB 4.09Å; M972-L1011 HydrophobicContact CE-CD2 3.73Å
973	F	91	Very high	86.7	Confident	62 Å²	62	51.5 Å²	51.5	27%	0.272	27%	0.269	S	S	.	.	H	α-helix	trans	-64.9	-43.3	177.4	-174.2	-109.2	0	0	0	112	M634 L967 N970 Q971 R975 I976 L977	M634-F973 HydrophobicContact CE-CD2 4.1Å; M634-F973 HydrophobicContact SD-CB 3.89Å; M634-F973 HydrophobicContact SD-CD2 4.27Å; M634-F973 HydrophobicContact SD-CG 4.49Å; L967-F973 HydrophobicContact CB-CD1 4.16Å; L967-F973 HydrophobicContact CB-CE1 4.4Å; L967-F973 HydrophobicContact CB-CG 4.25Å; L967-F973 HydrophobicContact CD1-CD2 4.41Å; L967-F973 HydrophobicContact CD1-CE2 4.16Å; L967-F973 HydrophobicContact CD1-CZ 4.39Å; L967-F973 HydrophobicContact CD2-CD2 4.23Å; L967-F973 HydrophobicContact CD2-CG 4.42Å; N970-F973 HydrophobicContact CB-CB 4.2Å; N970-F973 WeakPolarHBondContact O-CB 3.29Å; N970-F973 PolarHBondContact O-N 3.26Å; Q971-F973 VanDerWaalsContact C-N 3.32Å; F973-R975 VanDerWaalsContact C-N 3.3Å; F973-R975 PolarHBondContact O-N 3.03Å; F973-I976 WeakPolarHBondContact O-CB 3.4Å; F973-I976 PolarHBondContact O-N 2.94Å; F973-I976 VanDerWaalsContact O-N 3.14Å; F973-L977 HydrophobicContact CD1-CD1 4Å; F973-L977 HydrophobicContact CD1-CG 4.49Å; F973-L977 HydrophobicContact CE1-CD1 3.63Å; F973-L977 HydrophobicContact CE1-CG 4.17Å; F973-L977 HydrophobicContact CZ-CD1 4.2Å; F973-L977 HydrophobicContact CZ-CD2 4.28Å; F973-L977 HydrophobicContact CZ-CG 4.31Å; F973-L977 WeakPolarHBondContact O-CG 3.43Å; F973-L977 PolarHBondContact O-N 3.34Å
974	E	87.8	Confident	85.5	Confident	82 Å²	82	53.1 Å²	53.1	38%	0.383	28%	0.281	S	S	.	.	H	α-helix	trans	-57.4	-43.7	173.6	-67.9	177.3	-177.8	0	0	111.3	N970 Q971 L977 L978	N970-E974 PolarHBondContact O-N 3.1Å; Q971-E974 PolarHBondContact O-N 3.09Å; E974-L977 WeakPolarHBondContact O-CB 3.32Å; E974-L977 PolarHBondContact O-N 3.17Å; E974-L978 WeakPolarHBondContact O-CG 3.48Å; E974-L978 PolarHBondContact O-N 3.38Å
975	R	90.7	Very high	84.4	Confident	1 Å²	1	52.7 Å²	52.7	0%	0.004	29%	0.286	C	S	.	.	H	α-helix	trans	-65.9	-35.4	175.7	-72.7	-178.6	-69.4	-157.6	-5	113.2	E630 Q971 M972 F973 L977 L978 Y991 L1000 F1003 T1004	E630-R975 IonicContact OE2-CZ 2.71Å; E630-R975 IonicContact OE2-NH2 2.73Å; E630-R975 PolarHBondContact OE2-NH2 3.39Å; Q971-R975 WeakPolarHBondContact O-CB 3.42Å; Q971-R975 VanDerWaalsContact O-CG 3.27Å; Q971-R975 WeakPolarHBondContact O-CG 3.3Å; Q971-R975 PolarHBondContact O-N 3.49Å; Q971-R975 PolarHBondContact O-NE 3.45Å; M972-R975 PolarHBondContact O-N 3.27Å; F973-R975 VanDerWaalsContact C-N 3.3Å; F973-R975 PolarHBondContact O-N 3.03Å; R975-L977 VanDerWaalsContact C-N 3.33Å; R975-L978 HydrophobicContact CG-CD1 4.43Å; R975-L978 WeakPolarHBondContact O-CB 3.42Å; R975-L978 PolarHBondContact O-N 2.9Å; R975-Y991 HydrophobicContact CG-CE2 3.93Å; R975-L1000 HydrophobicContact CG-CD1 4.2Å; R975-F1003 VanDerWaalsContact NH1-CD1 3.26Å; R975-T1004 HydrophobicContact CB-CG2 3.87Å
976	I	92.5	Very high	83.7	Confident	38 Å²	38	53.2 Å²	53.2	20%	0.195	29%	0.287	C	S	.	.	H	α-helix	trans	-62	-44.3	173.4	-69.5	163.5	0	0	0	110.1	M634 M972 F973 L978 F979 T1004 L1008	M634-I976 HydrophobicContact CE-CD1 4.23Å; M972-I976 HydrophobicContact CE-CD1 4.07Å; M972-I976 HydrophobicContact CG-CD1 4.13Å; M972-I976 VanDerWaalsContact O-CG1 3.29Å; M972-I976 WeakPolarHBondContact O-CG1 3.37Å; M972-I976 PolarHBondContact O-N 3.17Å; F973-I976 WeakPolarHBondContact O-CB 3.4Å; F973-I976 PolarHBondContact O-N 2.94Å; F973-I976 VanDerWaalsContact O-N 3.14Å; I976-L978 PolarHBondContact O-N 3.47Å; I976-F979 WeakPolarHBondContact O-CB 3.22Å; I976-F979 PolarHBondContact O-N 2.94Å; I976-F979 VanDerWaalsContact O-N 3.11Å; I976-T1004 HydrophobicContact CG1-CG2 3.99Å; I976-L1008 HydrophobicContact CD1-CD2 3.66Å; I976-L1008 HydrophobicContact CG1-CD1 4.48Å; I976-L1008 HydrophobicContact CG1-CD2 4Å; I976-L1008 HydrophobicContact CG1-CG 4.44Å
977	L	89.7	Confident	82.9	Confident	80 Å²	80	54.3 Å²	54.3	42%	0.419	29%	0.293	S	S	.	.	H	α-helix	trans	-61.4	-29.6	176.4	-67.4	172.6	0	0	0	112.4	F973 E974 R975 F979 I980 T981	F973-L977 HydrophobicContact CD1-CD1 4Å; F973-L977 HydrophobicContact CD1-CG 4.49Å; F973-L977 HydrophobicContact CE1-CD1 3.63Å; F973-L977 HydrophobicContact CE1-CG 4.17Å; F973-L977 HydrophobicContact CZ-CD1 4.2Å; F973-L977 HydrophobicContact CZ-CD2 4.28Å; F973-L977 HydrophobicContact CZ-CG 4.31Å; F973-L977 WeakPolarHBondContact O-CG 3.43Å; F973-L977 PolarHBondContact O-N 3.34Å; E974-L977 WeakPolarHBondContact O-CB 3.32Å; E974-L977 PolarHBondContact O-N 3.17Å; R975-L977 VanDerWaalsContact C-N 3.33Å; L977-F979 PolarHBondContact O-N 3.45Å; L977-I980 PolarHBondContact O-N 3.3Å; L977-I980 VanDerWaalsContact O-N 3.09Å; L977-T981 WeakPolarHBondContact O-CB 3.39Å; L977-T981 PolarHBondContact O-N 2.68Å; L977-T981 PolarHBondContact O-OG1 3Å
978	L	87	Confident	81.8	Confident	6 Å²	6	53.3 Å²	53.3	3%	0.031	29%	0.289	C	S	.	.	H	α-helix	trans	-63.2	-23.1	176.3	-63	175.6	0	0	0	113.6	E974 R975 I976 I980 Y986 I992 L1000	E974-L978 WeakPolarHBondContact O-CG 3.48Å; E974-L978 PolarHBondContact O-N 3.38Å; R975-L978 HydrophobicContact CG-CD1 4.43Å; R975-L978 WeakPolarHBondContact O-CB 3.42Å; R975-L978 PolarHBondContact O-N 2.9Å; I976-L978 PolarHBondContact O-N 3.47Å; L978-I980 VanDerWaalsContact C-N 3.27Å; L978-I980 PolarHBondContact O-N 3.18Å; L978-Y986 HydrophobicContact CB-CE1 4.3Å; L978-Y986 HydrophobicContact CB-CE2 4.32Å; L978-Y986 HydrophobicContact CD2-CD1 4.05Å; L978-Y986 HydrophobicContact CD2-CD2 4.29Å; L978-Y986 HydrophobicContact CD2-CE1 4.12Å; L978-Y986 HydrophobicContact CD2-CE2 4.37Å; L978-Y986 HydrophobicContact CD2-CG 4.15Å; L978-Y986 PolarHBondContact O-OH 3.47Å; L978-I992 HydrophobicContact CD1-CD1 3.83Å; L978-I992 HydrophobicContact CD1-CG1 4.39Å; L978-I992 HydrophobicContact CD2-CD1 4.4Å; L978-L1000 HydrophobicContact CD1-CD2 4.03Å
979	F	88.4	Confident	81.2	Confident	93 Å²	93	50.2 Å²	50.2	41%	0.408	28%	0.276	S	S	.	.	H	α-helix	trans	-66	-31.8	174.1	-77	-74.3	0	0	0	112.6	I976 L977 H1001 T1004	I976-F979 WeakPolarHBondContact O-CB 3.22Å; I976-F979 PolarHBondContact O-N 2.94Å; I976-F979 VanDerWaalsContact O-N 3.11Å; L977-F979 PolarHBondContact O-N 3.45Å; F979-H1001 AromaticContact CD1-CE1 3.94Å; F979-H1001 AromaticContact CD1-ND1 3.81Å; F979-H1001 HydrophobicContact CE1-CB 3.66Å; F979-H1001 AromaticContact CE1-CG 3.57Å; F979-H1001 AromaticContact CE1-ND1 3.46Å; F979-H1001 WeakPolarHBondContact CE1-ND1 3.36Å; F979-H1001 HydrophobicContact CZ-CB 3.83Å; F979-H1001 AromaticContact CZ-CG 3.95Å; F979-H1001 AromaticContact CZ-ND1 3.59Å; F979-T1004 HydrophobicContact CE2-CG2 3.75Å
980	I	88.8	Confident	80.7	Confident	150 Å²	150	49.9 Å²	49.9	77%	0.769	26%	0.259	S	S	*	.	H	α-helix	trans	-99.4	-16	-177.6	-48.2	173.6	0	0	0	110.8	L977 L978	L977-I980 PolarHBondContact O-N 3.3Å; L977-I980 VanDerWaalsContact O-N 3.09Å; L978-I980 VanDerWaalsContact C-N 3.27Å; L978-I980 PolarHBondContact O-N 3.18Å
981	T	83.2	Confident	80.1	Confident	50 Å²	50	49.4 Å²	49.4	31%	0.307	26%	0.257	S	S	.	.	S	Bend	trans	-75.5	138.2	178.4	-54.8	0	0	0	0	111	L977 A985 Y986	L977-T981 WeakPolarHBondContact O-CB 3.39Å; L977-T981 PolarHBondContact O-N 2.68Å; L977-T981 PolarHBondContact O-OG1 3Å; T981-A985 HydrophobicContact CG2-CB 4.09Å; T981-Y986 HydrophobicContact CG2-CD1 4.09Å; T981-Y986 HydrophobicContact CG2-CE1 4.29Å; T981-Y986 WeakPolarHBondContact O-CE1 3.33Å
982	E	80.2	Confident	79.6	Confident	143 Å²	143	50 Å²	50	67%	0.668	26%	0.26	S	S	*	.			trans	-62.8	139.2	172.7	-166.3	-173.3	149.6	0	0	110.8	S984 A985 Y986	E982-S984 WeakPolarHBondContact CG-OG 3.31Å; E982-S984 PolarHBondContact O-N 2.89Å; E982-S984 VanDerWaalsContact O-N 3.12Å; E982-S984 PolarHBondContact OE1-OG 3.46Å; E982-A985 PolarHBondContact O-N 3.39Å; E982-Y986 VanDerWaalsContact O-CD1 3.32Å; E982-Y986 WeakPolarHBondContact O-CD1 3.5Å
983	Q	75.6	Confident	78.8	Confident	97 Å²	97	52.5 Å²	52.5	45%	0.453	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-62.5	-24.6	-173	-60.2	-174.5	8.4	0	0	114.6	K406	K406-Q983 WeakPolarHBondContact CG-O 3.45Å
984	S	67.4	Low	78	Confident	38 Å²	38	51.7 Å²	51.7	27%	0.266	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-69.1	-34.5	175.1	50.9	0	0	0	0	111.7	E982 Y986	E982-S984 WeakPolarHBondContact CG-OG 3.31Å; E982-S984 PolarHBondContact O-N 2.89Å; E982-S984 VanDerWaalsContact O-N 3.12Å; E982-S984 PolarHBondContact OE1-OG 3.46Å; S984-Y986 VanDerWaalsContact C-N 3.31Å; S984-Y986 PolarHBondContact O-N 2.92Å
985	A	71.1	Confident	77.7	Confident	48 Å²	48	48 Å²	48	40%	0.397	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-88.7	12.3	-177.2	0	0	0	0	0	114	T981 E982	T981-A985 HydrophobicContact CG2-CB 4.09Å; E982-A985 PolarHBondContact O-N 3.39Å
986	Y	73.4	Confident	77.3	Confident	16 Å²	16	50.2 Å²	50.2	6%	0.063	26%	0.262	C	S	.	.			trans	-66.7	124.5	178.2	-86.9	30.6	0	0	0	110.2	L978 T981 E982 S984 Q997 H1001	L978-Y986 HydrophobicContact CB-CE1 4.3Å; L978-Y986 HydrophobicContact CB-CE2 4.32Å; L978-Y986 HydrophobicContact CD2-CD1 4.05Å; L978-Y986 HydrophobicContact CD2-CD2 4.29Å; L978-Y986 HydrophobicContact CD2-CE1 4.12Å; L978-Y986 HydrophobicContact CD2-CE2 4.37Å; L978-Y986 HydrophobicContact CD2-CG 4.15Å; L978-Y986 PolarHBondContact O-OH 3.47Å; T981-Y986 HydrophobicContact CG2-CD1 4.09Å; T981-Y986 HydrophobicContact CG2-CE1 4.29Å; T981-Y986 WeakPolarHBondContact O-CE1 3.33Å; E982-Y986 VanDerWaalsContact O-CD1 3.32Å; E982-Y986 WeakPolarHBondContact O-CD1 3.5Å; S984-Y986 VanDerWaalsContact C-N 3.31Å; S984-Y986 PolarHBondContact O-N 2.92Å; Y986-Q997 HydrophobicContact CE2-CG 4.23Å; Y986-Q997 PolarHBondContact OH-NE2 3.38Å; Y986-H1001 PolarHBondContact OH-CE1 3.45Å; Y986-H1001 PolarHBondContact OH-NE2 2.85Å
987	P	68.2	Low	76.9	Confident	41 Å²	41	51.2 Å²	51.2	27%	0.266	27%	0.266	S	S	.	.			trans	-65.4	141.5	177.6	27.3	-33.2	0	0	0	109.6	S989 I992	P987-S989 PolarHBondContact O-N 2.98Å; P987-I992 HydrophobicContact CG-CD1 4.2Å; P987-I992 WeakPolarHBondContact O-CD1 3.29Å
988	P	65	Low	76.8	Confident	12 Å²	12	58.3 Å²	58.3	8%	0.078	29%	0.287	C	S	.	.			trans	-77.9	56.7	179.8	33.7	-36.4	0	0	0	111.7	T408 R993	T408-P988 HydrophobicContact CG2-CB 4.39Å; P988-R993 PolarHBondContact O-NE 2.94Å; P988-R993 PolarHBondContact O-NH2 3.23Å
989	S	69.7	Low	76.8	Confident	17 Å²	17	61 Å²	61	12%	0.119	30%	0.298	C	S	.	.			trans	-68.8	162.9	-179.7	80.3	0	0	0	0	112.3	P987 Y991 I992 R993	P987-S989 PolarHBondContact O-N 2.98Å; S989-Y991 VanDerWaalsContact C-N 3.26Å; S989-Y991 PolarHBondContact O-N 3.47Å; S989-Y991 WeakPolarHBondContact OG-CD1 3.28Å; S989-Y991 VanDerWaalsContact OG-CE1 3.23Å; S989-Y991 WeakPolarHBondContact OG-CE1 3.47Å; S989-Y991 WeakPolarHBondContact OG-CE2 3.44Å; S989-Y991 VanDerWaalsContact OG-CZ 3.25Å; S989-I992 PolarHBondContact O-N 2.71Å; S989-I992 VanDerWaalsContact OG-CD1 3.3Å; S989-I992 WeakPolarHBondContact OG-CD1 3.45Å; S989-I992 VanDerWaalsContact OG-CG1 3.24Å; S989-I992 WeakPolarHBondContact OG-CG1 3.48Å; S989-I992 PolarHBondContact OG-N 3.01Å; S989-R993 PolarHBondContact O-N 3.46Å
990	H	65.1	Low	76.7	Confident	48 Å²	48	56.7 Å²	56.7	22%	0.222	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-37.5	-175.5	96.2	-83.5	0	0	0	112.8	R994 A1055	H990-R994 WeakPolarHBondContact O-CG 3.47Å; H990-A1055 PolarHBondContact NE2-O 3.48Å
991	Y	72.2	Confident	76.8	Confident	4 Å²	4	51.1 Å²	51.1	2%	0.016	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-33.3	-178.7	57.1	-93.5	0	0	0	112.4	R975 S989 R993 R994 V995 L1000 L1056	R975-Y991 HydrophobicContact CG-CE2 3.93Å; S989-Y991 VanDerWaalsContact C-N 3.26Å; S989-Y991 PolarHBondContact O-N 3.47Å; S989-Y991 WeakPolarHBondContact OG-CD1 3.28Å; S989-Y991 VanDerWaalsContact OG-CE1 3.23Å; S989-Y991 WeakPolarHBondContact OG-CE1 3.47Å; S989-Y991 WeakPolarHBondContact OG-CE2 3.44Å; S989-Y991 VanDerWaalsContact OG-CZ 3.25Å; Y991-R993 PolarHBondContact O-N 2.9Å; Y991-R994 PolarHBondContact O-N 2.99Å; Y991-R994 VanDerWaalsContact O-N 3.11Å; Y991-V995 PolarHBondContact O-N 2.82Å; Y991-L1000 HydrophobicContact CD2-CD1 3.84Å; Y991-L1000 HydrophobicContact CE2-CD1 4.17Å; Y991-L1000 HydrophobicContact CE2-CD2 4.49Å; Y991-L1056 HydrophobicContact CD2-CD2 4.23Å; Y991-L1056 HydrophobicContact CG-CD2 4.37Å
992	I	75.2	Confident	77.2	Confident	23 Å²	23	51.7 Å²	51.7	12%	0.118	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-32.4	177.5	-69.1	169	0	0	0	110.9	T408 L978 P987 S989 R994 L1000	T408-I992 HydrophobicContact CG2-CG2 3.98Å; L978-I992 HydrophobicContact CD1-CD1 3.83Å; L978-I992 HydrophobicContact CD1-CG1 4.39Å; L978-I992 HydrophobicContact CD2-CD1 4.4Å; P987-I992 HydrophobicContact CG-CD1 4.2Å; P987-I992 WeakPolarHBondContact O-CD1 3.29Å; S989-I992 PolarHBondContact O-N 2.71Å; S989-I992 VanDerWaalsContact OG-CD1 3.3Å; S989-I992 WeakPolarHBondContact OG-CD1 3.45Å; S989-I992 VanDerWaalsContact OG-CG1 3.24Å; S989-I992 WeakPolarHBondContact OG-CG1 3.48Å; S989-I992 PolarHBondContact OG-N 3.01Å; I992-R994 VanDerWaalsContact C-N 3.34Å; I992-L1000 HydrophobicContact CG1-CD2 4.17Å
993	R	73.1	Confident	77.7	Confident	54 Å²	54	44.9 Å²	44.9	20%	0.204	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-27.4	174.9	-68.4	-178.9	179.2	147.5	4.7	113.6	E208 V209 T408 E413 P988 S989 Y991	E208-R993 HydrophobicContact CG-CB 4.15Å; V209-R993 PolarHBondContact N-O 2.93Å; T408-R993 HydrophobicContact CG2-CG 4.46Å; E413-R993 IonicContact OE1-CZ 2.77Å; E413-R993 IonicContact OE1-NE 3.17Å; E413-R993 PolarHBondContact OE1-NE 3.47Å; E413-R993 IonicContact OE1-NH2 3.05Å; E413-R993 PolarHBondContact OE1-NH2 2.64Å; E413-R993 IonicContact OE2-NE 3.63Å; P988-R993 PolarHBondContact O-NE 2.94Å; P988-R993 PolarHBondContact O-NH2 3.23Å; S989-R993 PolarHBondContact O-N 3.46Å; Y991-R993 PolarHBondContact O-N 2.9Å
994	R	74.4	Confident	78.4	Confident	44 Å²	44	40.3 Å²	40.3	17%	0.166	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-24.4	-170.8	-66.9	178.6	172.9	164.3	3.6	114.4	D204 S207 E208 V209 H990 Y991 I992 A1055	D204-R994 IonicContact OD2-NH2 3.58Å; S207-R994 WeakPolarHBondContact O-CA 3.37Å; S207-R994 WeakPolarHBondContact O-CG 3.45Å; S207-R994 PolarHBondContact OG-NE 3.43Å; E208-R994 HydrophobicContact CG-CG 4.5Å; V209-R994 VanDerWaalsContact CG2-O 3.31Å; V209-R994 WeakPolarHBondContact CG2-O 3.26Å; H990-R994 WeakPolarHBondContact O-CG 3.47Å; Y991-R994 PolarHBondContact O-N 2.99Å; Y991-R994 VanDerWaalsContact O-N 3.11Å; I992-R994 VanDerWaalsContact C-N 3.34Å; R994-A1055 HydrophobicContact CB-CB 4.03Å
995	V	81.1	Confident	79.6	Confident	6 Å²	6	43.7 Å²	43.7	4%	0.036	21%	0.208	C	C	.	.	S	Bend	trans	-116.5	129.6	-171.9	-176.4	0	0	0	0	110.5	Y991 Q997 K999 L1000 Y1052 A1055 L1056	Y991-V995 PolarHBondContact O-N 2.82Å; V995-Q997 PolarHBondContact O-N 2.8Å; V995-K999 HydrophobicContact CG1-CB 4.13Å; V995-L1000 HydrophobicContact CG1-CB 4.22Å; V995-Y1052 HydrophobicContact CB-CD1 4.34Å; V995-Y1052 HydrophobicContact CG1-CD1 4.17Å; V995-Y1052 HydrophobicContact CG1-CG 4.25Å; V995-Y1052 HydrophobicContact CG2-CD1 4.11Å; V995-A1055 HydrophobicContact CG2-CB 3.78Å; V995-L1056 HydrophobicContact CG1-CD1 4.34Å; V995-L1056 HydrophobicContact CG2-CD1 4.47Å; V995-L1056 HydrophobicContact CG2-CD2 4.14Å; V995-L1056 HydrophobicContact CG2-CG 4.01Å
996	P	82.8	Confident	80.5	Confident	47 Å²	47	44.8 Å²	44.8	31%	0.305	20%	0.204	S	C	.	.			trans	-63.6	138.2	174.8	25.9	-32.3	0	0	0	110.7	R998 K999 L1000 Y1052	P996-R998 VanDerWaalsContact C-N 3.29Å; P996-R998 PolarHBondContact O-N 3.21Å; P996-R998 VanDerWaalsContact O-N 3.13Å; P996-K999 HydrophobicContact CG-CB 4.08Å; P996-K999 HydrophobicContact CG-CG 3.88Å; P996-K999 PolarHBondContact O-N 3.38Å; P996-L1000 PolarHBondContact O-N 2.88Å; P996-Y1052 HydrophobicContact CG-CE1 4.09Å; P996-Y1052 HydrophobicContact CG-CE2 4.17Å
997	Q	83.4	Confident	81.4	Confident	59 Å²	59	44 Å²	44	28%	0.276	20%	0.201	S	C	.	.	H	α-helix	trans	-54	-39.7	-170.9	-173.2	-177.6	4.1	0	0	113.9	Y986 V995 K999 L1000 H1001	Y986-Q997 HydrophobicContact CE2-CG 4.23Å; Y986-Q997 PolarHBondContact OH-NE2 3.38Å; V995-Q997 PolarHBondContact O-N 2.8Å; Q997-K999 VanDerWaalsContact C-N 3.31Å; Q997-K999 PolarHBondContact O-N 2.71Å; Q997-L1000 WeakPolarHBondContact O-CB 3.45Å; Q997-L1000 PolarHBondContact O-N 2.97Å; Q997-H1001 PolarHBondContact NE2-NE2 3.19Å; Q997-H1001 PolarHBondContact O-N 2.83Å
998	R	87.4	Confident	82.6	Confident	228 Å²	228	45 Å²	45	86%	0.86	20%	0.204	S	C	*	.	H	α-helix	trans	-61	-39.5	178.1	-70.5	-174.7	176.7	178.7	-1	112.1	P996 L1002	P996-R998 VanDerWaalsContact C-N 3.29Å; P996-R998 PolarHBondContact O-N 3.21Å; P996-R998 VanDerWaalsContact O-N 3.13Å; R998-L1002 VanDerWaalsContact O-CB 3.29Å; R998-L1002 WeakPolarHBondContact O-CB 3.46Å; R998-L1002 PolarHBondContact O-N 2.87Å
999	K	87	Confident	83.9	Confident	62 Å²	62	48.7 Å²	48.7	27%	0.27	22%	0.222	S	C	.	.	H	α-helix	trans	-74.2	-36	177.2	-65.5	-69.6	-165.6	171.8	0	111.5	V995 P996 Q997 L1002 F1003 A1047 Y1052	V995-K999 HydrophobicContact CG1-CB 4.13Å; P996-K999 HydrophobicContact CG-CB 4.08Å; P996-K999 HydrophobicContact CG-CG 3.88Å; P996-K999 PolarHBondContact O-N 3.38Å; Q997-K999 VanDerWaalsContact C-N 3.31Å; Q997-K999 PolarHBondContact O-N 2.71Å; K999-L1002 PolarHBondContact O-N 3.24Å; K999-F1003 WeakPolarHBondContact O-CB 3.33Å; K999-F1003 PolarHBondContact O-N 3.35Å; K999-A1047 PolarHBondContact NZ-O 3.38Å; K999-Y1052 HydrophobicContact CG-CD2 4.42Å; K999-Y1052 HydrophobicContact CG-CE2 4.49Å
1000	L	87.1	Confident	85	Confident	3 Å²	3	48.6 Å²	48.6	2%	0.016	22%	0.22	C	C	.	.	H	α-helix	trans	-59.4	-46.7	172.8	179.6	69	0	0	0	111.9	R975 L978 Y991 I992 V995 P996 Q997 F1003 T1004 L1056	R975-L1000 HydrophobicContact CG-CD1 4.2Å; L978-L1000 HydrophobicContact CD1-CD2 4.03Å; Y991-L1000 HydrophobicContact CD2-CD1 3.84Å; Y991-L1000 HydrophobicContact CE2-CD1 4.17Å; Y991-L1000 HydrophobicContact CE2-CD2 4.49Å; I992-L1000 HydrophobicContact CG1-CD2 4.17Å; V995-L1000 HydrophobicContact CG1-CB 4.22Å; P996-L1000 PolarHBondContact O-N 2.88Å; Q997-L1000 WeakPolarHBondContact O-CB 3.45Å; Q997-L1000 PolarHBondContact O-N 2.97Å; L1000-F1003 WeakPolarHBondContact O-CB 3.08Å; L1000-F1003 PolarHBondContact O-N 3.27Å; L1000-T1004 PolarHBondContact O-N 3.06Å; L1000-T1004 VanDerWaalsContact O-N 3.1Å; L1000-T1004 PolarHBondContact O-OG1 3.17Å; L1000-L1056 HydrophobicContact CD1-CD2 3.45Å; L1000-L1056 VanDerWaalsContact CD1-CD2 3.45Å
1001	H	90.7	Very high	86.3	Confident	34 Å²	34	46.6 Å²	46.6	16%	0.157	21%	0.211	C	C	.	.	H	α-helix	trans	-69.5	-40.1	178.6	-74.7	-33.3	0	0	0	112.2	F979 Y986 Q997 F1003 T1004 F1005	F979-H1001 AromaticContact CD1-CE1 3.94Å; F979-H1001 AromaticContact CD1-ND1 3.81Å; F979-H1001 HydrophobicContact CE1-CB 3.66Å; F979-H1001 AromaticContact CE1-CG 3.57Å; F979-H1001 AromaticContact CE1-ND1 3.46Å; F979-H1001 WeakPolarHBondContact CE1-ND1 3.36Å; F979-H1001 HydrophobicContact CZ-CB 3.83Å; F979-H1001 AromaticContact CZ-CG 3.95Å; F979-H1001 AromaticContact CZ-ND1 3.59Å; Y986-H1001 PolarHBondContact OH-CE1 3.45Å; Y986-H1001 PolarHBondContact OH-NE2 2.85Å; Q997-H1001 PolarHBondContact NE2-NE2 3.19Å; Q997-H1001 PolarHBondContact O-N 2.83Å; H1001-F1003 VanDerWaalsContact C-N 3.31Å; H1001-F1003 PolarHBondContact O-N 3.32Å; H1001-T1004 PolarHBondContact O-N 2.94Å; H1001-F1005 WeakPolarHBondContact O-CB 3.38Å; H1001-F1005 PolarHBondContact O-N 2.7Å
1002	L	90.6	Very high	87.2	Confident	62 Å²	62	48.4 Å²	48.4	33%	0.325	23%	0.23	S	C	.	.	H	α-helix	trans	-59.6	-42.1	173.8	-177.3	63.7	0	0	0	111.8	R998 K999 F1005 F1006 I1048	R998-L1002 VanDerWaalsContact O-CB 3.29Å; R998-L1002 WeakPolarHBondContact O-CB 3.46Å; R998-L1002 PolarHBondContact O-N 2.87Å; K999-L1002 PolarHBondContact O-N 3.24Å; L1002-F1005 WeakPolarHBondContact O-CB 3.41Å; L1002-F1005 PolarHBondContact O-N 3.41Å; L1002-F1006 HydrophobicContact CD1-CD2 4.27Å; L1002-F1006 HydrophobicContact CD1-CE2 3.69Å; L1002-F1006 HydrophobicContact CD1-CZ 4.31Å; L1002-F1006 HydrophobicContact CD2-CE2 4.34Å; L1002-F1006 HydrophobicContact CG-CD2 4.15Å; L1002-F1006 HydrophobicContact CG-CE2 3.74Å; L1002-F1006 WeakPolarHBondContact O-CD2 3.35Å; L1002-F1006 PolarHBondContact O-N 3.16Å; L1002-F1006 VanDerWaalsContact O-N 3.12Å; L1002-I1048 HydrophobicContact CD2-CG1 4.46Å
1003	F	90.6	Very high	87.9	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.1	-51.5	175.1	-177.5	-99	0	0	0	111.9	R975 K999 L1000 H1001 F1005 F1006 Q1007 I1044 I1048 L1053 L1056 D1057	R975-F1003 VanDerWaalsContact NH1-CD1 3.26Å; K999-F1003 WeakPolarHBondContact O-CB 3.33Å; K999-F1003 PolarHBondContact O-N 3.35Å; L1000-F1003 WeakPolarHBondContact O-CB 3.08Å; L1000-F1003 PolarHBondContact O-N 3.27Å; H1001-F1003 VanDerWaalsContact C-N 3.31Å; H1001-F1003 PolarHBondContact O-N 3.32Å; F1003-F1005 PolarHBondContact O-N 2.62Å; F1003-F1006 PolarHBondContact O-N 3Å; F1003-F1006 VanDerWaalsContact O-N 3.12Å; F1003-Q1007 HydrophobicContact CD1-CG 4.2Å; F1003-Q1007 HydrophobicContact CE1-CG 3.79Å; F1003-Q1007 VanDerWaalsContact CE1-OE1 3.27Å; F1003-Q1007 HydrophobicContact CZ-CG 4.16Å; F1003-Q1007 PolarHBondContact O-N 3.3Å; F1003-I1044 HydrophobicContact CD2-CG2 4.15Å; F1003-I1044 HydrophobicContact CE2-CD1 4.29Å; F1003-I1044 HydrophobicContact CE2-CG2 4.11Å; F1003-I1048 HydrophobicContact CB-CD1 3.61Å; F1003-I1048 HydrophobicContact CD2-CD1 3.65Å; F1003-I1048 HydrophobicContact CG-CD1 4.13Å; F1003-L1053 HydrophobicContact CD2-CD1 4.41Å; F1003-L1053 HydrophobicContact CE2-CD1 4.01Å; F1003-L1056 HydrophobicContact CB-CD1 3.99Å; F1003-L1056 HydrophobicContact CD1-CD1 4.06Å; F1003-L1056 HydrophobicContact CD2-CD1 4.15Å; F1003-L1056 HydrophobicContact CG-CD1 3.79Å; F1003-D1057 WeakPolarHBondContact CZ-OD1 3.35Å; F1003-D1057 WeakPolarHBondContact CZ-OD2 2.97Å
1004	T	92	Very high	88.7	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.5	-36.3	179.8	-45.8	0	0	0	0	111.3	R975 I976 F979 L1000 H1001 Q1007 L1008	R975-T1004 HydrophobicContact CB-CG2 3.87Å; I976-T1004 HydrophobicContact CG1-CG2 3.99Å; F979-T1004 HydrophobicContact CE2-CG2 3.75Å; L1000-T1004 PolarHBondContact O-N 3.06Å; L1000-T1004 VanDerWaalsContact O-N 3.1Å; L1000-T1004 PolarHBondContact O-OG1 3.17Å; H1001-T1004 PolarHBondContact O-N 2.94Å; T1004-Q1007 WeakPolarHBondContact O-CB 3.47Å; T1004-Q1007 PolarHBondContact O-N 2.84Å; T1004-L1008 WeakPolarHBondContact O-CG 3.49Å; T1004-L1008 PolarHBondContact O-N 2.9Å
1005	F	92.3	Very high	89.5	Confident	110 Å²	110	48.3 Å²	48.3	48%	0.482	23%	0.234	S	C	.	.	H	α-helix	trans	-61.6	-44.1	174.3	179.3	-104.1	0	0	0	112.3	H1001 L1002 F1003 Q1007 L1008 I1009	H1001-F1005 WeakPolarHBondContact O-CB 3.38Å; H1001-F1005 PolarHBondContact O-N 2.7Å; L1002-F1005 WeakPolarHBondContact O-CB 3.41Å; L1002-F1005 PolarHBondContact O-N 3.41Å; F1003-F1005 PolarHBondContact O-N 2.62Å; F1005-Q1007 PolarHBondContact O-N 3.28Å; F1005-L1008 WeakPolarHBondContact O-CB 3.45Å; F1005-L1008 PolarHBondContact O-N 2.7Å; F1005-I1009 HydrophobicContact CD1-CD1 3.94Å; F1005-I1009 HydrophobicContact CE1-CD1 3.44Å; F1005-I1009 VanDerWaalsContact CE1-CD1 3.44Å; F1005-I1009 HydrophobicContact CE1-CG1 4.4Å; F1005-I1009 HydrophobicContact CZ-CD1 3.8Å; F1005-I1009 HydrophobicContact CZ-CG1 4.43Å; F1005-I1009 PolarHBondContact O-N 2.88Å
1006	F	90.5	Very high	89.8	Confident	70 Å²	70	51.2 Å²	51.2	31%	0.307	26%	0.258	S	S	.	.	H	α-helix	trans	-63.4	-39	173.4	-76.2	-62	0	0	0	112.7	L1002 F1003 L1008 I1009 Q1010 A1047	L1002-F1006 HydrophobicContact CD1-CD2 4.27Å; L1002-F1006 HydrophobicContact CD1-CE2 3.69Å; L1002-F1006 HydrophobicContact CD1-CZ 4.31Å; L1002-F1006 HydrophobicContact CD2-CE2 4.34Å; L1002-F1006 HydrophobicContact CG-CD2 4.15Å; L1002-F1006 HydrophobicContact CG-CE2 3.74Å; L1002-F1006 WeakPolarHBondContact O-CD2 3.35Å; L1002-F1006 PolarHBondContact O-N 3.16Å; L1002-F1006 VanDerWaalsContact O-N 3.12Å; F1003-F1006 PolarHBondContact O-N 3Å; F1003-F1006 VanDerWaalsContact O-N 3.12Å; F1006-L1008 VanDerWaalsContact C-N 3.32Å; F1006-L1008 PolarHBondContact O-N 3.3Å; F1006-I1009 PolarHBondContact O-N 3.07Å; F1006-Q1010 WeakPolarHBondContact O-CG 3.42Å; F1006-Q1010 PolarHBondContact O-N 3.39Å; F1006-A1047 HydrophobicContact CE2-CB 3.83Å; F1006-A1047 HydrophobicContact CZ-CB 4.19Å
1007	Q	91.9	Very high	89.9	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.4	-39.8	174.2	-67.2	-176.2	-63.8	0	0	112	I631 M972 F1003 T1004 F1005 I1009 Q1010 L1011	I631-Q1007 HydrophobicContact CD1-CB 4.18Å; I631-Q1007 HydrophobicContact CD1-CG 4.18Å; I631-Q1007 HydrophobicContact CG1-CB 4.28Å; M972-Q1007 HydrophobicContact CE-CB 3.82Å; M972-Q1007 HydrophobicContact SD-CB 4.05Å; F1003-Q1007 HydrophobicContact CD1-CG 4.2Å; F1003-Q1007 HydrophobicContact CE1-CG 3.79Å; F1003-Q1007 VanDerWaalsContact CE1-OE1 3.27Å; F1003-Q1007 HydrophobicContact CZ-CG 4.16Å; F1003-Q1007 PolarHBondContact O-N 3.3Å; T1004-Q1007 WeakPolarHBondContact O-CB 3.47Å; T1004-Q1007 PolarHBondContact O-N 2.84Å; F1005-Q1007 PolarHBondContact O-N 3.28Å; Q1007-I1009 VanDerWaalsContact C-N 3.34Å; Q1007-Q1010 PolarHBondContact O-N 2.98Å; Q1007-L1011 WeakPolarHBondContact O-CB 3.25Å; Q1007-L1011 PolarHBondContact O-N 3.4Å
1008	L	93.7	Very high	89.9	Confident	61 Å²	61	50.1 Å²	50.1	32%	0.319	25%	0.252	S	S	.	.	H	α-helix	trans	-63.8	-38	175.6	-74.7	172	0	0	0	112.2	M972 I976 T1004 F1005 F1006 L1011 G1012	M972-L1008 HydrophobicContact CE-CD2 4.02Å; M972-L1008 HydrophobicContact CE-CG 4.42Å; I976-L1008 HydrophobicContact CD1-CD2 3.66Å; I976-L1008 HydrophobicContact CG1-CD1 4.48Å; I976-L1008 HydrophobicContact CG1-CD2 4Å; I976-L1008 HydrophobicContact CG1-CG 4.44Å; T1004-L1008 WeakPolarHBondContact O-CG 3.49Å; T1004-L1008 PolarHBondContact O-N 2.9Å; F1005-L1008 WeakPolarHBondContact O-CB 3.45Å; F1005-L1008 PolarHBondContact O-N 2.7Å; F1006-L1008 VanDerWaalsContact C-N 3.32Å; F1006-L1008 PolarHBondContact O-N 3.3Å; L1008-L1011 PolarHBondContact O-N 3.03Å; L1008-G1012 PolarHBondContact O-N 3.26Å
1009	I	92.1	Very high	89.7	Confident	91 Å²	91	41.9 Å²	41.9	47%	0.467	22%	0.222	S	C	.	.	H	α-helix	trans	-63.1	-45.2	172.9	-69.8	170.8	0	0	0	110.7	F1005 F1006 Q1007 G1012 F1013	F1005-I1009 HydrophobicContact CD1-CD1 3.94Å; F1005-I1009 HydrophobicContact CE1-CD1 3.44Å; F1005-I1009 VanDerWaalsContact CE1-CD1 3.44Å; F1005-I1009 HydrophobicContact CE1-CG1 4.4Å; F1005-I1009 HydrophobicContact CZ-CD1 3.8Å; F1005-I1009 HydrophobicContact CZ-CG1 4.43Å; F1005-I1009 PolarHBondContact O-N 2.88Å; F1006-I1009 PolarHBondContact O-N 3.07Å; Q1007-I1009 VanDerWaalsContact C-N 3.34Å; I1009-G1012 PolarHBondContact O-N 3.28Å; I1009-F1013 PolarHBondContact O-N 3.26Å
1010	Q	91.4	Very high	89.6	Confident	15 Å²	15	39.6 Å²	39.6	7%	0.07	22%	0.215	C	C	.	.	H	α-helix	trans	-62.9	-43.8	177.7	-71.2	176.4	-8.3	0	0	111.8	I631 F1006 Q1007 F1013 L1014 Q1036	I631-Q1010 HydrophobicContact CD1-CB 4.02Å; F1006-Q1010 WeakPolarHBondContact O-CG 3.42Å; F1006-Q1010 PolarHBondContact O-N 3.39Å; Q1007-Q1010 PolarHBondContact O-N 2.98Å; Q1010-F1013 PolarHBondContact O-N 3.49Å; Q1010-L1014 PolarHBondContact O-N 3.05Å; Q1010-Q1036 PolarHBondContact O-NE2 3Å
1011	L	92.9	Very high	89.3	Confident	6 Å²	6	45.7 Å²	45.7	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-62.2	-44.9	174.3	179.7	62.1	0	0	0	111.3	I631 M634 F635 M638 M972 Q1007 L1008 F1013 L1014 C1015	I631-L1011 HydrophobicContact CG2-CB 4.3Å; I631-L1011 HydrophobicContact CG2-CD1 4.32Å; M634-L1011 HydrophobicContact CB-CD1 4.09Å; M634-L1011 HydrophobicContact CB-CD2 3.96Å; M634-L1011 HydrophobicContact CE-CD2 4.39Å; F635-L1011 HydrophobicContact CB-CD1 3.88Å; M638-L1011 HydrophobicContact CE-CD2 4.12Å; M638-L1011 HydrophobicContact SD-CD1 4.37Å; M638-L1011 HydrophobicContact SD-CD2 4.01Å; M638-L1011 HydrophobicContact SD-CG 4.32Å; M972-L1011 HydrophobicContact CE-CB 4.09Å; M972-L1011 HydrophobicContact CE-CD2 3.73Å; Q1007-L1011 WeakPolarHBondContact O-CB 3.25Å; Q1007-L1011 PolarHBondContact O-N 3.4Å; L1008-L1011 PolarHBondContact O-N 3.03Å; L1011-F1013 VanDerWaalsContact C-N 3.33Å; L1011-F1013 PolarHBondContact O-N 2.97Å; L1011-L1014 WeakPolarHBondContact O-CB 3.29Å; L1011-L1014 PolarHBondContact O-N 3.45Å; L1011-L1014 VanDerWaalsContact O-N 3.11Å; L1011-C1015 WeakPolarHBondContact O-CB 3.41Å; L1011-C1015 PolarHBondContact O-N 2.9Å; L1011-C1015 PolarHBondContact O-SG 3.25Å
1012	G	92.4	Very high	88.8	Confident	41 Å²	41	46.1 Å²	46.1	42%	0.423	26%	0.261	S	S	.	.	H	α-helix	trans	-59.7	-42.1	177	0	0	0	0	0	112.6	L1008 I1009 C1015 A1016	L1008-G1012 PolarHBondContact O-N 3.26Å; I1009-G1012 PolarHBondContact O-N 3.28Å; G1012-C1015 PolarHBondContact O-N 2.94Å; G1012-A1016 WeakPolarHBondContact O-CB 3.39Å; G1012-A1016 PolarHBondContact O-N 3.23Å
1013	F	89.8	Confident	88.2	Confident	99 Å²	99	45.5 Å²	45.5	43%	0.434	26%	0.261	S	S	.	.	H	α-helix	trans	-61.6	-45.2	172.7	-171.5	-90.8	0	0	0	111.2	I1009 Q1010 L1011 C1015 A1016 F1017 I1032	I1009-F1013 PolarHBondContact O-N 3.26Å; Q1010-F1013 PolarHBondContact O-N 3.49Å; L1011-F1013 VanDerWaalsContact C-N 3.33Å; L1011-F1013 PolarHBondContact O-N 2.97Å; F1013-C1015 PolarHBondContact O-N 3.1Å; F1013-A1016 PolarHBondContact O-N 3.06Å; F1013-F1017 HydrophobicContact CD1-CD2 4.05Å; F1013-F1017 HydrophobicContact CD1-CE2 4.15Å; F1013-F1017 HydrophobicContact CD2-CE2 4.04Å; F1013-F1017 AromaticContact CE1-CD2 3.82Å; F1013-F1017 HydrophobicContact CE1-CD2 3.82Å; F1013-F1017 AromaticContact CE1-CE2 3.64Å; F1013-F1017 HydrophobicContact CE1-CE2 3.64Å; F1013-F1017 HydrophobicContact CE2-CD2 4.33Å; F1013-F1017 AromaticContact CE2-CE2 3.5Å; F1013-F1017 HydrophobicContact CE2-CE2 3.5Å; F1013-F1017 HydrophobicContact CE2-CZ 4.32Å; F1013-F1017 HydrophobicContact CG-CD2 4.44Å; F1013-F1017 HydrophobicContact CG-CE2 4.36Å; F1013-F1017 AromaticContact CZ-CD2 3.97Å; F1013-F1017 HydrophobicContact CZ-CD2 3.97Å; F1013-F1017 AromaticContact CZ-CE2 3.29Å; F1013-F1017 HydrophobicContact CZ-CE2 3.29Å; F1013-F1017 AromaticContact CZ-CZ 3.99Å; F1013-F1017 HydrophobicContact CZ-CZ 3.99Å; F1013-F1017 WeakPolarHBondContact O-CD2 3.31Å; F1013-F1017 PolarHBondContact O-N 3.24Å; F1013-I1032 HydrophobicContact CD1-CG2 4.07Å; F1013-I1032 HydrophobicContact CE1-CG2 3.75Å
1014	L	89.2	Confident	87.7	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-62.2	-44	179	-169.2	62	0	0	0	111.9	I631 F635 Q1010 L1011 F1017 G1018 F1029 I1032 L1033	I631-L1014 HydrophobicContact CG2-CD2 4.3Å; F635-L1014 HydrophobicContact CB-CD2 3.6Å; F635-L1014 HydrophobicContact CB-CG 4.4Å; F635-L1014 HydrophobicContact CD1-CD2 4.13Å; F635-L1014 HydrophobicContact CD2-CB 4.42Å; F635-L1014 HydrophobicContact CD2-CD2 3.9Å; F635-L1014 HydrophobicContact CD2-CG 3.75Å; F635-L1014 HydrophobicContact CE2-CG 4.16Å; F635-L1014 HydrophobicContact CG-CD2 3.58Å; F635-L1014 HydrophobicContact CG-CG 3.96Å; Q1010-L1014 PolarHBondContact O-N 3.05Å; L1011-L1014 WeakPolarHBondContact O-CB 3.29Å; L1011-L1014 PolarHBondContact O-N 3.45Å; L1011-L1014 VanDerWaalsContact O-N 3.11Å; L1014-F1017 PolarHBondContact O-N 2.94Å; L1014-G1018 PolarHBondContact O-N 3.09Å; L1014-F1029 HydrophobicContact CD1-CD2 3.94Å; L1014-F1029 HydrophobicContact CD1-CE2 3.27Å; L1014-F1029 HydrophobicContact CD1-CZ 3.93Å; L1014-F1029 HydrophobicContact CD2-CE2 4.44Å; L1014-F1029 HydrophobicContact CG-CE2 3.81Å; L1014-F1029 HydrophobicContact CG-CZ 4.39Å; L1014-I1032 HydrophobicContact CD1-CG2 4.28Å; L1014-L1033 HydrophobicContact CD1-CD2 3.57Å; L1014-L1033 HydrophobicContact CD1-CG 4.21Å; L1014-L1033 HydrophobicContact CD2-CD2 3.85Å; L1014-L1033 HydrophobicContact CG-CD2 4.39Å
1015	C	90.5	Very high	87.2	Confident	20 Å²	20	54.4 Å²	54.4	14%	0.135	30%	0.301	C	S	.	.	H	α-helix	trans	-62.9	-40.4	176.3	-69.2	0	0	0	0	112.3	L1011 G1012 F1013 F1017 G1018 F1019	L1011-C1015 WeakPolarHBondContact O-CB 3.41Å; L1011-C1015 PolarHBondContact O-N 2.9Å; L1011-C1015 PolarHBondContact O-SG 3.25Å; G1012-C1015 PolarHBondContact O-N 2.94Å; F1013-C1015 PolarHBondContact O-N 3.1Å; C1015-F1017 VanDerWaalsContact C-N 3.31Å; C1015-F1017 PolarHBondContact O-N 3.13Å; C1015-G1018 PolarHBondContact O-N 3.04Å; C1015-F1019 HydrophobicContact CB-CD2 3.9Å; C1015-F1019 HydrophobicContact CB-CE2 3.88Å; C1015-F1019 WeakPolarHBondContact O-CB 3.31Å; C1015-F1019 WeakPolarHBondContact O-CD2 3.42Å; C1015-F1019 PolarHBondContact O-N 3.5Å
1016	A	87.4	Confident	86.6	Confident	66 Å²	66	52.4 Å²	52.4	55%	0.545	29%	0.292	S	S	.	.	H	α-helix	trans	-59.6	-40.5	179.5	0	0	0	0	0	112.5	G1012 F1013 A1020	G1012-A1016 WeakPolarHBondContact O-CB 3.39Å; G1012-A1016 PolarHBondContact O-N 3.23Å; F1013-A1016 PolarHBondContact O-N 3.06Å; A1016-A1020 PolarHBondContact O-N 3.33Å
1017	F	85.8	Confident	86.2	Confident	71 Å²	71	50.5 Å²	50.5	31%	0.311	29%	0.285	S	S	.	.	H	α-helix	trans	-83.1	-35.7	177.1	-74.2	-88.2	0	0	0	113.1	F1013 L1014 C1015 A1020 V1025 I1032	F1013-F1017 HydrophobicContact CD1-CD2 4.05Å; F1013-F1017 HydrophobicContact CD1-CE2 4.15Å; F1013-F1017 HydrophobicContact CD2-CE2 4.04Å; F1013-F1017 AromaticContact CE1-CD2 3.82Å; F1013-F1017 HydrophobicContact CE1-CD2 3.82Å; F1013-F1017 AromaticContact CE1-CE2 3.64Å; F1013-F1017 HydrophobicContact CE1-CE2 3.64Å; F1013-F1017 HydrophobicContact CE2-CD2 4.33Å; F1013-F1017 AromaticContact CE2-CE2 3.5Å; F1013-F1017 HydrophobicContact CE2-CE2 3.5Å; F1013-F1017 HydrophobicContact CE2-CZ 4.32Å; F1013-F1017 HydrophobicContact CG-CD2 4.44Å; F1013-F1017 HydrophobicContact CG-CE2 4.36Å; F1013-F1017 AromaticContact CZ-CD2 3.97Å; F1013-F1017 HydrophobicContact CZ-CD2 3.97Å; F1013-F1017 AromaticContact CZ-CE2 3.29Å; F1013-F1017 HydrophobicContact CZ-CE2 3.29Å; F1013-F1017 AromaticContact CZ-CZ 3.99Å; F1013-F1017 HydrophobicContact CZ-CZ 3.99Å; F1013-F1017 WeakPolarHBondContact O-CD2 3.31Å; F1013-F1017 PolarHBondContact O-N 3.24Å; L1014-F1017 PolarHBondContact O-N 2.94Å; C1015-F1017 VanDerWaalsContact C-N 3.31Å; C1015-F1017 PolarHBondContact O-N 3.13Å; F1017-A1020 WeakPolarHBondContact O-CB 3.3Å; F1017-A1020 PolarHBondContact O-N 2.94Å; F1017-V1025 HydrophobicContact CD1-CG1 3.68Å; F1017-V1025 HydrophobicContact CE1-CG1 4.36Å; F1017-I1032 HydrophobicContact CB-CD1 3.58Å; F1017-I1032 HydrophobicContact CD1-CD1 3.5Å; F1017-I1032 VanDerWaalsContact CD1-CD1 3.5Å; F1017-I1032 HydrophobicContact CD2-CD1 4.14Å; F1017-I1032 HydrophobicContact CE1-CD1 4.21Å; F1017-I1032 HydrophobicContact CG-CD1 3.47Å; F1017-I1032 VanDerWaalsContact CG-CD1 3.47Å
1018	G	82.7	Confident	85.7	Confident	12 Å²	12	54.9 Å²	54.9	12%	0.124	31%	0.307	C	S	.	.	H	α-helix	trans	-65.3	-37.9	177.9	0	0	0	0	0	113.2	L1014 C1015 K1026	L1014-G1018 PolarHBondContact O-N 3.09Å; C1015-G1018 PolarHBondContact O-N 3.04Å; G1018-K1026 VanDerWaalsContact O-CE 3.32Å; G1018-K1026 WeakPolarHBondContact O-CE 3.2Å
1019	F	84.1	Confident	85.2	Confident	56 Å²	56	52.6 Å²	52.6	25%	0.246	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	10.6	179.2	-56.1	-54.7	0	0	0	113.8	F635 A639 Y642 C1015	F635-F1019 HydrophobicContact CE2-CZ 4.5Å; A639-F1019 HydrophobicContact CB-CE1 4.2Å; A639-F1019 HydrophobicContact CB-CZ 4.25Å; Y642-F1019 AromaticContact CD1-CD1 3.83Å; Y642-F1019 HydrophobicContact CD1-CD1 3.83Å; Y642-F1019 AromaticContact CD1-CE1 3.83Å; Y642-F1019 HydrophobicContact CD1-CE1 3.83Å; Y642-F1019 HydrophobicContact CE1-CD1 4.11Å; Y642-F1019 HydrophobicContact CG-CD1 4.05Å; Y642-F1019 AromaticContact CG-CE1 3.84Å; Y642-F1019 HydrophobicContact CG-CE1 3.84Å; Y642-F1019 HydrophobicContact CG-CZ 4.39Å; C1015-F1019 HydrophobicContact CB-CD2 3.9Å; C1015-F1019 HydrophobicContact CB-CE2 3.88Å; C1015-F1019 WeakPolarHBondContact O-CB 3.31Å; C1015-F1019 WeakPolarHBondContact O-CD2 3.42Å; C1015-F1019 PolarHBondContact O-N 3.5Å
1020	A	84.8	Confident	84.8	Confident	13 Å²	13	48.3 Å²	48.3	11%	0.107	27%	0.273	C	S	.	.			trans	-58.4	139.3	177.3	0	0	0	0	0	111.2	A1016 F1017 S1022 V1025 K1026	A1016-A1020 PolarHBondContact O-N 3.33Å; F1017-A1020 WeakPolarHBondContact O-CB 3.3Å; F1017-A1020 PolarHBondContact O-N 2.94Å; A1020-S1022 VanDerWaalsContact C-N 3.28Å; A1020-S1022 PolarHBondContact O-N 3.27Å; A1020-V1025 HydrophobicContact CB-CB 4.13Å; A1020-V1025 HydrophobicContact CB-CG1 3.75Å; A1020-K1026 WeakPolarHBondContact O-CE 3.3Å
1021	P	79.5	Confident	84.5	Confident	131 Å²	131	50.7 Å²	50.7	85%	0.851	29%	0.288	S	S	*	.	S	Bend	trans	-67.4	-28.4	-175.5	25.4	-34.1	0	0	0	113.1	P1023	P1021-P1023 WeakPolarHBondContact O-CD 3.41Å
1022	S	80.5	Confident	84.2	Confident	44 Å²	44	51.1 Å²	51.1	31%	0.308	29%	0.29	S	S	.	.	S	Bend	trans	-78.9	123.4	-178.7	55.1	0	0	0	0	112	A1020 Y1024 V1025 K1026	A1020-S1022 VanDerWaalsContact C-N 3.28Å; A1020-S1022 PolarHBondContact O-N 3.27Å; S1022-Y1024 VanDerWaalsContact C-N 3.27Å; S1022-Y1024 PolarHBondContact O-N 2.94Å; S1022-V1025 PolarHBondContact O-N 3.19Å; S1022-V1025 WeakPolarHBondContact OG-CB 3.32Å; S1022-V1025 WeakPolarHBondContact OG-CG2 3.45Å; S1022-K1026 PolarHBondContact O-N 3.25Å
1023	P	77.9	Confident	83.9	Confident	48 Å²	48	49.5 Å²	49.5	31%	0.312	27%	0.272	S	S	.	.	H	α-helix	trans	-57.6	-35.9	178.4	-25.5	34.1	0	0	0	113.9	I582 P1021 V1025 K1026 L1027	I582-P1023 HydrophobicContact CD1-CB 4.29Å; I582-P1023 HydrophobicContact CG1-CB 4.26Å; P1021-P1023 WeakPolarHBondContact O-CD 3.41Å; P1023-V1025 PolarHBondContact O-N 3.08Å; P1023-K1026 WeakPolarHBondContact O-CB 2.89Å; P1023-K1026 PolarHBondContact O-N 2.87Å; P1023-L1027 PolarHBondContact O-N 2.73Å
1024	Y	80.8	Confident	83.6	Confident	140 Å²	140	47.3 Å²	47.3	55%	0.549	27%	0.266	S	S	.	.	H	α-helix	trans	-66.9	-34.4	-179.7	-59.9	-73.4	0	0	0	113.4	S1022 K1026 L1027	S1022-Y1024 VanDerWaalsContact C-N 3.27Å; S1022-Y1024 PolarHBondContact O-N 2.94Å; Y1024-K1026 VanDerWaalsContact C-N 3.31Å; Y1024-L1027 VanDerWaalsContact O-CB 3.25Å; Y1024-L1027 WeakPolarHBondContact O-CB 3.38Å; Y1024-L1027 PolarHBondContact O-N 3.43Å
1025	V	80.8	Confident	83.5	Confident	47 Å²	47	51.2 Å²	51.2	29%	0.285	29%	0.29	S	S	.	.	H	α-helix	trans	-68	-36.2	175.5	173.9	0	0	0	0	110.5	F1017 A1020 S1022 P1023 L1027 I1028	F1017-V1025 HydrophobicContact CD1-CG1 3.68Å; F1017-V1025 HydrophobicContact CE1-CG1 4.36Å; A1020-V1025 HydrophobicContact CB-CB 4.13Å; A1020-V1025 HydrophobicContact CB-CG1 3.75Å; S1022-V1025 PolarHBondContact O-N 3.19Å; S1022-V1025 WeakPolarHBondContact OG-CB 3.32Å; S1022-V1025 WeakPolarHBondContact OG-CG2 3.45Å; P1023-V1025 PolarHBondContact O-N 3.08Å; V1025-L1027 PolarHBondContact O-N 2.92Å; V1025-I1028 PolarHBondContact O-N 3.24Å
1026	K	80.2	Confident	83.3	Confident	68 Å²	68	50.8 Å²	50.8	30%	0.296	29%	0.286	S	S	.	.	H	α-helix	trans	-64.1	-27.4	174.7	-62	-172	-179.1	-165.9	0	112.6	L578 G1018 A1020 S1022 P1023 Y1024 I1028 F1029	L578-K1026 HydrophobicContact CD1-CB 3.85Å; L578-K1026 HydrophobicContact CD1-CD 3.49Å; L578-K1026 VanDerWaalsContact CD1-CD 3.49Å; L578-K1026 HydrophobicContact CD1-CG 4.26Å; L578-K1026 HydrophobicContact CD2-CB 3.75Å; L578-K1026 HydrophobicContact CG-CB 4.48Å; G1018-K1026 VanDerWaalsContact O-CE 3.32Å; G1018-K1026 WeakPolarHBondContact O-CE 3.2Å; A1020-K1026 WeakPolarHBondContact O-CE 3.3Å; S1022-K1026 PolarHBondContact O-N 3.25Å; P1023-K1026 WeakPolarHBondContact O-CB 2.89Å; P1023-K1026 PolarHBondContact O-N 2.87Å; Y1024-K1026 VanDerWaalsContact C-N 3.31Å; K1026-I1028 VanDerWaalsContact C-N 3.28Å; K1026-I1028 PolarHBondContact O-N 3.22Å; K1026-F1029 WeakPolarHBondContact O-CB 3.28Å; K1026-F1029 PolarHBondContact O-N 3.49Å
1027	L	81.5	Confident	83.2	Confident	30 Å²	30	48.4 Å²	48.4	16%	0.157	26%	0.264	C	S	.	.	H	α-helix	trans	-63.6	-32.1	176.7	-165.6	76.6	0	0	0	112.9	Y579 I582 P1023 Y1024 V1025 F1029 P1030	Y579-L1027 HydrophobicContact CD1-CD1 3.71Å; Y579-L1027 HydrophobicContact CD2-CD1 4.33Å; Y579-L1027 HydrophobicContact CE1-CD1 3.22Å; Y579-L1027 HydrophobicContact CE1-CG 4.32Å; Y579-L1027 HydrophobicContact CE2-CD1 3.89Å; Y579-L1027 HydrophobicContact CG-CD1 4.24Å; I582-L1027 HydrophobicContact CD1-CB 4.37Å; I582-L1027 HydrophobicContact CD1-CD1 3.88Å; P1023-L1027 PolarHBondContact O-N 2.73Å; Y1024-L1027 VanDerWaalsContact O-CB 3.25Å; Y1024-L1027 WeakPolarHBondContact O-CB 3.38Å; Y1024-L1027 PolarHBondContact O-N 3.43Å; V1025-L1027 PolarHBondContact O-N 2.92Å; L1027-F1029 PolarHBondContact O-N 3.37Å; L1027-P1030 WeakPolarHBondContact O-CD 3.31Å
1028	I	82.9	Confident	83.1	Confident	92 Å²	92	48.8 Å²	48.8	47%	0.472	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-7.6	-177.3	-59.2	173.1	0	0	0	111.6	V1025 K1026 P1030 V1031 I1032	V1025-I1028 PolarHBondContact O-N 3.24Å; K1026-I1028 VanDerWaalsContact C-N 3.28Å; K1026-I1028 PolarHBondContact O-N 3.22Å; I1028-P1030 VanDerWaalsContact C-N 3.34Å; I1028-P1030 VanDerWaalsContact O-N 3.14Å; I1028-V1031 HydrophobicContact CG2-CB 4.12Å; I1028-V1031 WeakPolarHBondContact O-CB 3.29Å; I1028-V1031 PolarHBondContact O-N 2.71Å; I1028-I1032 HydrophobicContact CG2-CD1 4.31Å; I1028-I1032 HydrophobicContact CG2-CG1 4.28Å; I1028-I1032 PolarHBondContact O-N 2.96Å; I1028-I1032 VanDerWaalsContact O-N 3.15Å
1029	F	82.8	Confident	83.2	Confident	13 Å²	13	51.7 Å²	51.7	6%	0.057	28%	0.284	C	S	.	.	H	α-helix	trans	-45.6	-44	-179.7	176.5	-97.1	0	0	0	115.2	F632 F635 L841 L1014 K1026 L1027 V1031 I1032 L1033	F632-F1029 HydrophobicContact CE2-CE1 4.19Å; F632-F1029 HydrophobicContact CE2-CZ 4.1Å; F635-F1029 HydrophobicContact CD1-CE2 4.2Å; F635-F1029 AromaticContact CD1-CZ 3.78Å; F635-F1029 HydrophobicContact CD1-CZ 3.78Å; F635-F1029 HydrophobicContact CE1-CE1 4.18Å; F635-F1029 AromaticContact CE1-CE2 3.5Å; F635-F1029 HydrophobicContact CE1-CE2 3.5Å; F635-F1029 AromaticContact CE1-CZ 3.21Å; F635-F1029 HydrophobicContact CE1-CZ 3.21Å; F635-F1029 HydrophobicContact CE2-CE2 4Å; F635-F1029 HydrophobicContact CZ-CD2 4.32Å; F635-F1029 AromaticContact CZ-CE2 3.38Å; F635-F1029 HydrophobicContact CZ-CE2 3.38Å; F635-F1029 AromaticContact CZ-CZ 3.64Å; F635-F1029 HydrophobicContact CZ-CZ 3.64Å; L841-F1029 HydrophobicContact CD1-CD1 4.48Å; L1014-F1029 HydrophobicContact CD1-CD2 3.94Å; L1014-F1029 HydrophobicContact CD1-CE2 3.27Å; L1014-F1029 HydrophobicContact CD1-CZ 3.93Å; L1014-F1029 HydrophobicContact CD2-CE2 4.44Å; L1014-F1029 HydrophobicContact CG-CE2 3.81Å; L1014-F1029 HydrophobicContact CG-CZ 4.39Å; K1026-F1029 WeakPolarHBondContact O-CB 3.28Å; K1026-F1029 PolarHBondContact O-N 3.49Å; L1027-F1029 PolarHBondContact O-N 3.37Å; F1029-V1031 VanDerWaalsContact C-N 3.3Å; F1029-V1031 PolarHBondContact O-N 3.46Å; F1029-I1032 WeakPolarHBondContact O-CB 3.41Å; F1029-I1032 PolarHBondContact O-N 3.41Å; F1029-I1032 VanDerWaalsContact O-N 3.16Å; F1029-L1033 HydrophobicContact CD1-CD1 4.08Å; F1029-L1033 HydrophobicContact CD1-CG 4.49Å; F1029-L1033 HydrophobicContact CE1-CD1 3.47Å; F1029-L1033 VanDerWaalsContact CE1-CD1 3.47Å; F1029-L1033 HydrophobicContact CE1-CG 4.04Å; F1029-L1033 HydrophobicContact CZ-CD1 3.86Å; F1029-L1033 HydrophobicContact CZ-CD2 4.15Å; F1029-L1033 HydrophobicContact CZ-CG 4.05Å; F1029-L1033 PolarHBondContact O-N 3.31Å
1030	P	83.5	Confident	83.2	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.006	27%	0.274	C	S	.	.	H	α-helix	trans	-63.3	-35.3	178.2	-21.7	34.9	0	0	0	113.3	L840 L841 L1027 I1028 I1032 L1033 V1034	L840-P1030 HydrophobicContact CB-CB 4.05Å; L840-P1030 HydrophobicContact CD2-CB 4.05Å; L840-P1030 HydrophobicContact CG-CB 4.04Å; L841-P1030 HydrophobicContact CB-CB 4.17Å; L841-P1030 HydrophobicContact CB-CG 3.64Å; L841-P1030 HydrophobicContact CD1-CG 3.99Å; L841-P1030 HydrophobicContact CG-CG 4.36Å; L1027-P1030 WeakPolarHBondContact O-CD 3.31Å; I1028-P1030 VanDerWaalsContact C-N 3.34Å; I1028-P1030 VanDerWaalsContact O-N 3.14Å; P1030-I1032 VanDerWaalsContact C-N 3.35Å; P1030-L1033 PolarHBondContact O-N 2.86Å; P1030-V1034 PolarHBondContact O-N 3.1Å
1031	V	85.7	Confident	83	Confident	65 Å²	65	54.1 Å²	54.1	39%	0.394	29%	0.294	S	S	.	.	H	α-helix	trans	-68.5	-40	176.9	-178.3	0	0	0	0	109.9	L840 I1028 F1029 L1033 V1034 V1035	L840-V1031 HydrophobicContact CD2-CG2 4.07Å; I1028-V1031 HydrophobicContact CG2-CB 4.12Å; I1028-V1031 WeakPolarHBondContact O-CB 3.29Å; I1028-V1031 PolarHBondContact O-N 2.71Å; F1029-V1031 VanDerWaalsContact C-N 3.3Å; F1029-V1031 PolarHBondContact O-N 3.46Å; V1031-L1033 VanDerWaalsContact C-N 3.33Å; V1031-L1033 PolarHBondContact O-N 2.76Å; V1031-V1034 PolarHBondContact O-N 3.11Å; V1031-V1035 WeakPolarHBondContact O-CG2 3.2Å; V1031-V1035 PolarHBondContact O-N 3.2Å
1032	I	86.6	Confident	83	Confident	16 Å²	16	51.2 Å²	51.2	8%	0.082	27%	0.273	C	S	.	.	H	α-helix	trans	-61.4	-42.1	176.3	-69	163.7	0	0	0	110.9	F1013 L1014 F1017 I1028 F1029 P1030 V1034 V1035 Q1036	F1013-I1032 HydrophobicContact CD1-CG2 4.07Å; F1013-I1032 HydrophobicContact CE1-CG2 3.75Å; L1014-I1032 HydrophobicContact CD1-CG2 4.28Å; F1017-I1032 HydrophobicContact CB-CD1 3.58Å; F1017-I1032 HydrophobicContact CD1-CD1 3.5Å; F1017-I1032 VanDerWaalsContact CD1-CD1 3.5Å; F1017-I1032 HydrophobicContact CD2-CD1 4.14Å; F1017-I1032 HydrophobicContact CE1-CD1 4.21Å; F1017-I1032 HydrophobicContact CG-CD1 3.47Å; F1017-I1032 VanDerWaalsContact CG-CD1 3.47Å; I1028-I1032 HydrophobicContact CG2-CD1 4.31Å; I1028-I1032 HydrophobicContact CG2-CG1 4.28Å; I1028-I1032 PolarHBondContact O-N 2.96Å; I1028-I1032 VanDerWaalsContact O-N 3.15Å; F1029-I1032 WeakPolarHBondContact O-CB 3.41Å; F1029-I1032 PolarHBondContact O-N 3.41Å; F1029-I1032 VanDerWaalsContact O-N 3.16Å; P1030-I1032 VanDerWaalsContact C-N 3.35Å; I1032-V1034 VanDerWaalsContact C-N 3.34Å; I1032-V1034 PolarHBondContact O-N 3.08Å; I1032-V1035 PolarHBondContact O-N 3.06Å; I1032-Q1036 HydrophobicContact CG2-CG 4.46Å; I1032-Q1036 WeakPolarHBondContact O-CG 3.4Å; I1032-Q1036 PolarHBondContact O-N 3.15Å
1033	L	84.5	Confident	83	Confident	7 Å²	7	53.5 Å²	53.5	4%	0.037	28%	0.282	C	S	.	.	H	α-helix	trans	-58	-44.6	175.2	-73.7	175.6	0	0	0	112.2	F632 L1014 F1029 P1030 V1031 Q1036 I1037	F632-L1033 HydrophobicContact CD2-CD1 4.13Å; F632-L1033 HydrophobicContact CD2-CD2 3.9Å; F632-L1033 HydrophobicContact CE2-CD1 3.79Å; F632-L1033 HydrophobicContact CE2-CD2 4.32Å; L1014-L1033 HydrophobicContact CD1-CD2 3.57Å; L1014-L1033 HydrophobicContact CD1-CG 4.21Å; L1014-L1033 HydrophobicContact CD2-CD2 3.85Å; L1014-L1033 HydrophobicContact CG-CD2 4.39Å; F1029-L1033 HydrophobicContact CD1-CD1 4.08Å; F1029-L1033 HydrophobicContact CD1-CG 4.49Å; F1029-L1033 HydrophobicContact CE1-CD1 3.47Å; F1029-L1033 VanDerWaalsContact CE1-CD1 3.47Å; F1029-L1033 HydrophobicContact CE1-CG 4.04Å; F1029-L1033 HydrophobicContact CZ-CD1 3.86Å; F1029-L1033 HydrophobicContact CZ-CD2 4.15Å; F1029-L1033 HydrophobicContact CZ-CG 4.05Å; F1029-L1033 PolarHBondContact O-N 3.31Å; P1030-L1033 PolarHBondContact O-N 2.86Å; V1031-L1033 VanDerWaalsContact C-N 3.33Å; V1031-L1033 PolarHBondContact O-N 2.76Å; L1033-Q1036 PolarHBondContact O-N 3.28Å; L1033-I1037 WeakPolarHBondContact O-CG1 3.49Å; L1033-I1037 PolarHBondContact O-N 3.16Å; L1033-I1037 VanDerWaalsContact O-N 3.12Å
1034	V	84.6	Confident	83.2	Confident	52 Å²	52	51.4 Å²	51.4	32%	0.315	27%	0.268	S	S	.	.	H	α-helix	trans	-63.5	-43.3	176.5	174.7	0	0	0	0	111.4	L840 M844 P1030 V1031 I1032 Q1036 I1037 V1038	L840-V1034 HydrophobicContact CD1-CG2 3.88Å; L840-V1034 HydrophobicContact CD2-CG2 3.82Å; L840-V1034 HydrophobicContact CG-CG2 4.1Å; M844-V1034 HydrophobicContact CG-CG2 4.34Å; M844-V1034 HydrophobicContact SD-CG2 4.05Å; P1030-V1034 PolarHBondContact O-N 3.1Å; V1031-V1034 PolarHBondContact O-N 3.11Å; I1032-V1034 VanDerWaalsContact C-N 3.34Å; I1032-V1034 PolarHBondContact O-N 3.08Å; V1034-Q1036 VanDerWaalsContact C-N 3.28Å; V1034-Q1036 PolarHBondContact O-N 3.42Å; V1034-I1037 WeakPolarHBondContact O-CB 3.35Å; V1034-I1037 PolarHBondContact O-N 2.96Å; V1034-I1037 VanDerWaalsContact O-N 3.14Å; V1034-V1038 PolarHBondContact O-N 2.01Å; V1034-V1038 VanDerWaalsContact O-N 3.14Å
1035	V	86.4	Confident	83.2	Confident	83 Å²	83	47.8 Å²	47.8	50%	0.503	26%	0.261	S	S	.	.	H	α-helix	trans	-60.1	-40.5	176.1	171.5	0	0	0	0	110.8	V1031 I1032 I1037 V1038 L1039	V1031-V1035 WeakPolarHBondContact O-CG2 3.2Å; V1031-V1035 PolarHBondContact O-N 3.2Å; I1032-V1035 PolarHBondContact O-N 3.06Å; V1035-I1037 VanDerWaalsContact C-N 3.31Å; V1035-I1037 PolarHBondContact O-N 3.4Å; V1035-V1038 PolarHBondContact O-N 3.29Å; V1035-L1039 VanDerWaalsContact O-CB 3.23Å; V1035-L1039 WeakPolarHBondContact O-CB 3.41Å; V1035-L1039 PolarHBondContact O-N 3.18Å
1036	Q	86.1	Confident	83.3	Confident	11 Å²	11	53.9 Å²	53.9	5%	0.051	28%	0.284	C	S	.	.	H	α-helix	trans	-62.8	-36.8	176.4	-73.5	-164.8	-16.5	0	0	112.7	Q1010 I1032 L1033 V1034 L1039 R1040	Q1010-Q1036 PolarHBondContact O-NE2 3Å; I1032-Q1036 HydrophobicContact CG2-CG 4.46Å; I1032-Q1036 WeakPolarHBondContact O-CG 3.4Å; I1032-Q1036 PolarHBondContact O-N 3.15Å; L1033-Q1036 PolarHBondContact O-N 3.28Å; V1034-Q1036 VanDerWaalsContact C-N 3.28Å; V1034-Q1036 PolarHBondContact O-N 3.42Å; Q1036-L1039 PolarHBondContact O-N 3.38Å; Q1036-R1040 VanDerWaalsContact O-CB 3.25Å; Q1036-R1040 WeakPolarHBondContact O-CB 3.26Å; Q1036-R1040 PolarHBondContact O-N 3Å
1037	I	85.5	Confident	83.3	Confident	17 Å²	17	52.3 Å²	52.3	9%	0.087	28%	0.284	C	S	.	.	H	α-helix	trans	-62.3	-46.6	174.9	-68	166	0	0	0	110.9	W623 T628 M844 L1033 V1034 V1035 R1040 H1041	W623-I1037 HydrophobicContact CB-CG2 4.44Å; T628-I1037 HydrophobicContact CG2-CD1 4.23Å; T628-I1037 HydrophobicContact CG2-CG1 3.64Å; M844-I1037 HydrophobicContact CE-CD1 3.32Å; M844-I1037 HydrophobicContact SD-CD1 4.39Å; L1033-I1037 WeakPolarHBondContact O-CG1 3.49Å; L1033-I1037 PolarHBondContact O-N 3.16Å; L1033-I1037 VanDerWaalsContact O-N 3.12Å; V1034-I1037 WeakPolarHBondContact O-CB 3.35Å; V1034-I1037 PolarHBondContact O-N 2.96Å; V1034-I1037 VanDerWaalsContact O-N 3.14Å; V1035-I1037 VanDerWaalsContact C-N 3.31Å; V1035-I1037 PolarHBondContact O-N 3.4Å; I1037-R1040 WeakPolarHBondContact O-CB 3.38Å; I1037-R1040 PolarHBondContact O-N 3.11Å; I1037-H1041 PolarHBondContact O-N 2.74Å
1038	V	84.8	Confident	83.4	Confident	78 Å²	78	51 Å²	51	47%	0.473	28%	0.277	S	S	.	.	H	α-helix	trans	-66.3	-44.1	178.3	177.6	0	0	0	0	111.3	V1034 V1035 R1040 H1041 T1042	V1034-V1038 PolarHBondContact O-N 2.01Å; V1034-V1038 VanDerWaalsContact O-N 3.14Å; V1035-V1038 PolarHBondContact O-N 3.29Å; V1038-R1040 VanDerWaalsContact C-N 3.26Å; V1038-R1040 PolarHBondContact O-N 3.15Å; V1038-H1041 PolarHBondContact O-N 2.72Å; V1038-T1042 WeakPolarHBondContact O-CG2 3.35Å; V1038-T1042 PolarHBondContact O-N 3Å; V1038-T1042 VanDerWaalsContact O-N 3.12Å; V1038-T1042 PolarHBondContact O-OG1 3.13Å
1039	L	83.5	Confident	83.3	Confident	73 Å²	73	50.8 Å²	50.8	38%	0.382	28%	0.277	S	S	.	.	H	α-helix	trans	-60.1	-40.5	178.4	-169.9	73.9	0	0	0	111	V1035 Q1036 H1041 T1042 L1043	V1035-L1039 VanDerWaalsContact O-CB 3.23Å; V1035-L1039 WeakPolarHBondContact O-CB 3.41Å; V1035-L1039 PolarHBondContact O-N 3.18Å; Q1036-L1039 PolarHBondContact O-N 3.38Å; L1039-H1041 PolarHBondContact O-N 2.81Å; L1039-T1042 WeakPolarHBondContact CA-OG1 3.46Å; L1039-T1042 PolarHBondContact O-N 3.23Å; L1039-T1042 PolarHBondContact O-OG1 3.14Å; L1039-T1042 VanDerWaalsContact O-OG1 3.08Å; L1039-L1043 HydrophobicContact CD1-CD1 3.49Å; L1039-L1043 VanDerWaalsContact CD1-CD1 3.49Å; L1039-L1043 HydrophobicContact CD1-CG 3.86Å; L1039-L1043 HydrophobicContact CD2-CD1 4.11Å; L1039-L1043 HydrophobicContact CG-CD1 3.61Å; L1039-L1043 HydrophobicContact CG-CG 4.08Å; L1039-L1043 WeakPolarHBondContact O-CB 3.34Å; L1039-L1043 PolarHBondContact O-N 3.01Å
1040	R	84.1	Confident	83	Confident	7 Å²	7	54.8 Å²	54.8	3%	0.026	31%	0.306	C	S	.	.	H	α-helix	trans	-60.2	-47.3	176.7	-170.6	-163.5	151.7	-103.1	2.1	111.6	T625 S627 T628 Q1036 I1037 V1038 T1042 I1044 P1045 D1057	T625-R1040 VanDerWaalsContact CB-CZ 3.43Å; T625-R1040 VanDerWaalsContact CB-NH2 3.31Å; T625-R1040 VanDerWaalsContact CG2-CZ 3.41Å; T625-R1040 VanDerWaalsContact CG2-NH2 3.3Å; T625-R1040 PolarHBondContact OG1-NE 3.12Å; T625-R1040 VanDerWaalsContact OG1-NE 3.09Å; T625-R1040 PolarHBondContact OG1-NH1 3.42Å; T625-R1040 PolarHBondContact OG1-NH2 3.03Å; S627-R1040 WeakPolarHBondContact OG-CD 3.49Å; S627-R1040 PolarHBondContact OG-NE 2.83Å; T628-R1040 WeakPolarHBondContact OG1-CD 3.24Å; Q1036-R1040 VanDerWaalsContact O-CB 3.25Å; Q1036-R1040 WeakPolarHBondContact O-CB 3.26Å; Q1036-R1040 PolarHBondContact O-N 3Å; I1037-R1040 WeakPolarHBondContact O-CB 3.38Å; I1037-R1040 PolarHBondContact O-N 3.11Å; V1038-R1040 VanDerWaalsContact C-N 3.26Å; V1038-R1040 PolarHBondContact O-N 3.15Å; R1040-T1042 PolarHBondContact O-N 3.11Å; R1040-I1044 HydrophobicContact CB-CD1 4.45Å; R1040-I1044 HydrophobicContact CG-CD1 3.42Å; R1040-I1044 VanDerWaalsContact CG-CD1 3.42Å; R1040-I1044 HydrophobicContact CG-CG1 4Å; R1040-I1044 WeakPolarHBondContact O-CB 3.37Å; R1040-I1044 WeakPolarHBondContact O-CG1 3.48Å; R1040-I1044 PolarHBondContact O-N 3.39Å; R1040-I1044 VanDerWaalsContact O-N 3.15Å; R1040-P1045 WeakPolarHBondContact O-CD 3.31Å; R1040-D1057 IonicContact CZ-OD2 2.78Å; R1040-D1057 IonicContact NE-OD2 2.82Å; R1040-D1057 VanDerWaalsContact NH2-CG 3.32Å; R1040-D1057 IonicContact NH2-OD2 2.67Å; R1040-D1057 PolarHBondContact NH2-OD2 2.94Å
1041	H	81.2	Confident	82.7	Confident	114 Å²	114	59.8 Å²	59.8	53%	0.528	33%	0.328	S	S	.	.	H	α-helix	trans	-70.4	-22.2	-177.3	-152.4	50.6	0	0	0	113.1	I1037 V1038 L1039 P1045	I1037-H1041 PolarHBondContact O-N 2.74Å; V1038-H1041 PolarHBondContact O-N 2.72Å; L1039-H1041 PolarHBondContact O-N 2.81Å; H1041-P1045 WeakPolarHBondContact O-CD 3.43Å; H1041-P1045 WeakPolarHBondContact O-CG 3.45Å
1042	T	80.3	Confident	82.5	Confident	69 Å²	69	58.9 Å²	58.9	42%	0.423	32%	0.318	S	S	.	.	H	α-helix	trans	-95.5	-36.7	-179.4	50.9	0	0	0	0	113.8	V1038 L1039 R1040 K1046	V1038-T1042 WeakPolarHBondContact O-CG2 3.35Å; V1038-T1042 PolarHBondContact O-N 3Å; V1038-T1042 VanDerWaalsContact O-N 3.12Å; V1038-T1042 PolarHBondContact O-OG1 3.13Å; L1039-T1042 WeakPolarHBondContact CA-OG1 3.46Å; L1039-T1042 PolarHBondContact O-N 3.23Å; L1039-T1042 PolarHBondContact O-OG1 3.14Å; L1039-T1042 VanDerWaalsContact O-OG1 3.08Å; R1040-T1042 PolarHBondContact O-N 3.11Å; T1042-K1046 WeakPolarHBondContact O-CD 3.5Å; T1042-K1046 WeakPolarHBondContact O-CE 3.43Å
1043	L	80.5	Confident	82.2	Confident	92 Å²	92	59.4 Å²	59.4	48%	0.482	32%	0.321	S	S	.	.	H	α-helix	trans	-90.2	-45.9	-177.1	-68.4	-172.8	0	0	0	113.5	L1039 K1046	L1039-L1043 HydrophobicContact CD1-CD1 3.49Å; L1039-L1043 VanDerWaalsContact CD1-CD1 3.49Å; L1039-L1043 HydrophobicContact CD1-CG 3.86Å; L1039-L1043 HydrophobicContact CD2-CD1 4.11Å; L1039-L1043 HydrophobicContact CG-CD1 3.61Å; L1039-L1043 HydrophobicContact CG-CG 4.08Å; L1039-L1043 WeakPolarHBondContact O-CB 3.34Å; L1039-L1043 PolarHBondContact O-N 3.01Å; L1043-K1046 WeakPolarHBondContact O-CB 3.39Å; L1043-K1046 PolarHBondContact O-N 3.09Å; L1043-K1046 VanDerWaalsContact O-N 3.17Å
1044	I	81.5	Confident	81.7	Confident	5 Å²	5	62.6 Å²	62.6	3%	0.026	34%	0.335	C	S	.	.	H	α-helix	trans	-66.8	-43	-169.7	-55.3	-167.2	0	0	0	112.5	F1003 R1040 K1046 A1047 I1048 L1053	F1003-I1044 HydrophobicContact CD2-CG2 4.15Å; F1003-I1044 HydrophobicContact CE2-CD1 4.29Å; F1003-I1044 HydrophobicContact CE2-CG2 4.11Å; R1040-I1044 HydrophobicContact CB-CD1 4.45Å; R1040-I1044 HydrophobicContact CG-CD1 3.42Å; R1040-I1044 VanDerWaalsContact CG-CD1 3.42Å; R1040-I1044 HydrophobicContact CG-CG1 4Å; R1040-I1044 WeakPolarHBondContact O-CB 3.37Å; R1040-I1044 WeakPolarHBondContact O-CG1 3.48Å; R1040-I1044 PolarHBondContact O-N 3.39Å; R1040-I1044 VanDerWaalsContact O-N 3.15Å; I1044-K1046 PolarHBondContact O-N 3.18Å; I1044-K1046 VanDerWaalsContact O-N 3.08Å; I1044-A1047 PolarHBondContact O-N 3.16Å; I1044-I1048 HydrophobicContact CG2-CD1 4.14Å; I1044-I1048 PolarHBondContact O-N 3.03Å; I1044-I1048 VanDerWaalsContact O-N 3.1Å; I1044-L1053 HydrophobicContact CB-CD1 4.36Å; I1044-L1053 HydrophobicContact CG2-CD1 3.36Å
1045	P	81.2	Confident	81.1	Confident	63 Å²	63	60.6 Å²	60.6	41%	0.409	32%	0.324	S	S	.	.	H	α-helix	trans	-61.3	-18.3	176.7	-26.1	37.1	0	0	0	114.3	R1040 H1041 L1053	R1040-P1045 WeakPolarHBondContact O-CD 3.31Å; H1041-P1045 WeakPolarHBondContact O-CD 3.43Å; H1041-P1045 WeakPolarHBondContact O-CG 3.45Å; P1045-L1053 HydrophobicContact CG-CD2 4.44Å
1046	K	81.9	Confident	80.7	Confident	176 Å²	176	56.8 Å²	56.8	77%	0.765	30%	0.301	S	S	*	.	H	α-helix	trans	-79.6	-24.2	175.2	-63.2	-178.4	179.7	-178.5	0	113	T1042 L1043 I1044	T1042-K1046 WeakPolarHBondContact O-CD 3.5Å; T1042-K1046 WeakPolarHBondContact O-CE 3.43Å; L1043-K1046 WeakPolarHBondContact O-CB 3.39Å; L1043-K1046 PolarHBondContact O-N 3.09Å; L1043-K1046 VanDerWaalsContact O-N 3.17Å; I1044-K1046 PolarHBondContact O-N 3.18Å; I1044-K1046 VanDerWaalsContact O-N 3.08Å
1047	A	81.1	Confident	80.2	Confident	34 Å²	34	56.7 Å²	56.7	28%	0.281	30%	0.301	S	S	.	.	H	α-helix	trans	-99.8	-29	-176.4	0	0	0	0	0	113.4	K999 F1006 I1044	K999-A1047 PolarHBondContact NZ-O 3.38Å; F1006-A1047 HydrophobicContact CE2-CB 3.83Å; F1006-A1047 HydrophobicContact CZ-CB 4.19Å; I1044-A1047 PolarHBondContact O-N 3.16Å
1048	I	82.9	Confident	79	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.01	31%	0.309	C	S	.	.	S	Bend	trans	-129.4	129.7	-172.7	-62.7	166.4	0	0	0	109	L1002 F1003 I1044	L1002-I1048 HydrophobicContact CD2-CG1 4.46Å; F1003-I1048 HydrophobicContact CB-CD1 3.61Å; F1003-I1048 HydrophobicContact CD2-CD1 3.65Å; F1003-I1048 HydrophobicContact CG-CD1 4.13Å; I1044-I1048 HydrophobicContact CG2-CD1 4.14Å; I1044-I1048 PolarHBondContact O-N 3.03Å; I1044-I1048 VanDerWaalsContact O-N 3.1Å
1049	D	80.5	Confident	77.4	Confident	88 Å²	88	58.6 Å²	58.6	47%	0.471	30%	0.301	S	S	.	.			trans	-58.2	140.1	-179.4	-49.3	-53.9	0	0	0	110.9	K1051 Y1052 L1053	D1049-K1051 PolarHBondContact O-N 3.03Å; D1049-K1051 VanDerWaalsContact O-N 3.13Å; D1049-Y1052 HydrophobicContact CB-CD2 3.81Å; D1049-Y1052 HydrophobicContact CB-CE2 4.18Å; D1049-Y1052 PolarHBondContact O-N 2.94Å; D1049-Y1052 VanDerWaalsContact OD2-CE2 3.27Å; D1049-Y1052 WeakPolarHBondContact OD2-CE2 3.13Å; D1049-L1053 PolarHBondContact O-N 3.37Å
1050	S	77.5	Confident	75	Confident	97 Å²	97	61.5 Å²	61.5	68%	0.678	31%	0.311	S	S	*	.	H	α-helix	trans	-54.5	-35.5	-176.7	55.8	0	0	0	0	112.9	Y1052 L1053 E1054	S1050-Y1052 VanDerWaalsContact C-N 3.33Å; S1050-Y1052 PolarHBondContact O-N 2.85Å; S1050-L1053 PolarHBondContact O-N 3.49Å; S1050-E1054 WeakPolarHBondContact O-CB 3.1Å; S1050-E1054 PolarHBondContact O-N 3.28Å
1051	K	76.6	Confident	74.6	Confident	106 Å²	106	64.2 Å²	64.2	46%	0.461	33%	0.325	S	S	.	.	H	α-helix	trans	-57	-43.1	174.9	-177.5	179.4	-178.9	175.4	0	112.5	A206 D1049 A1055	A206-K1051 PolarHBondContact O-NZ 3.08Å; D1049-K1051 PolarHBondContact O-N 3.03Å; D1049-K1051 VanDerWaalsContact O-N 3.13Å; K1051-A1055 PolarHBondContact O-N 3.06Å
1052	Y	80.3	Confident	74.2	Confident	47 Å²	47	61.6 Å²	61.6	18%	0.184	32%	0.315	C	S	.	.	H	α-helix	trans	-77.9	-38	179.7	-59.8	-48.3	0	0	0	111.5	V995 P996 K999 D1049 S1050 E1054 A1055 L1056	V995-Y1052 HydrophobicContact CB-CD1 4.34Å; V995-Y1052 HydrophobicContact CG1-CD1 4.17Å; V995-Y1052 HydrophobicContact CG1-CG 4.25Å; V995-Y1052 HydrophobicContact CG2-CD1 4.11Å; P996-Y1052 HydrophobicContact CG-CE1 4.09Å; P996-Y1052 HydrophobicContact CG-CE2 4.17Å; K999-Y1052 HydrophobicContact CG-CD2 4.42Å; K999-Y1052 HydrophobicContact CG-CE2 4.49Å; D1049-Y1052 HydrophobicContact CB-CD2 3.81Å; D1049-Y1052 HydrophobicContact CB-CE2 4.18Å; D1049-Y1052 PolarHBondContact O-N 2.94Å; D1049-Y1052 VanDerWaalsContact OD2-CE2 3.27Å; D1049-Y1052 WeakPolarHBondContact OD2-CE2 3.13Å; S1050-Y1052 VanDerWaalsContact C-N 3.33Å; S1050-Y1052 PolarHBondContact O-N 2.85Å; Y1052-E1054 VanDerWaalsContact C-N 3.26Å; Y1052-E1054 PolarHBondContact O-N 2.83Å; Y1052-A1055 PolarHBondContact O-N 2.89Å; Y1052-A1055 VanDerWaalsContact O-N 3.17Å; Y1052-L1056 WeakPolarHBondContact O-CG 3.37Å; Y1052-L1056 PolarHBondContact O-N 3.23Å
1053	L	80.6	Confident	73.9	Confident	27 Å²	27	61.2 Å²	61.2	14%	0.141	31%	0.309	C	S	.	.	H	α-helix	trans	-57.5	-44.6	173.9	-159.9	87.3	0	0	0	110.4	F1003 I1044 P1045 D1049 S1050 A1055 L1056 D1057	F1003-L1053 HydrophobicContact CD2-CD1 4.41Å; F1003-L1053 HydrophobicContact CE2-CD1 4.01Å; I1044-L1053 HydrophobicContact CB-CD1 4.36Å; I1044-L1053 HydrophobicContact CG2-CD1 3.36Å; P1045-L1053 HydrophobicContact CG-CD2 4.44Å; D1049-L1053 PolarHBondContact O-N 3.37Å; S1050-L1053 PolarHBondContact O-N 3.49Å; L1053-A1055 VanDerWaalsContact C-N 3.35Å; L1053-A1055 PolarHBondContact O-N 2.99Å; L1053-L1056 PolarHBondContact O-N 2.83Å; L1053-D1057 VanDerWaalsContact O-CB 3.3Å; L1053-D1057 WeakPolarHBondContact O-CB 3.38Å; L1053-D1057 PolarHBondContact O-N 3.47Å
1054	E	74.1	Confident	73.5	Confident	73 Å²	73	59.4 Å²	59.4	34%	0.341	30%	0.298	S	S	.	.	H	α-helix	trans	-62.8	-40	176.9	-169.3	-176.2	173.7	0	0	111.9	S1050 Y1052 L1056 R1058	S1050-E1054 WeakPolarHBondContact O-CB 3.1Å; S1050-E1054 PolarHBondContact O-N 3.28Å; Y1052-E1054 VanDerWaalsContact C-N 3.26Å; Y1052-E1054 PolarHBondContact O-N 2.83Å; E1054-L1056 VanDerWaalsContact C-N 3.28Å; E1054-L1056 PolarHBondContact O-N 3.01Å; E1054-R1058 HydrophobicContact CG-CB 4.22Å; E1054-R1058 HydrophobicContact CG-CG 4.48Å; E1054-R1058 WeakPolarHBondContact O-CB 3.49Å; E1054-R1058 PolarHBondContact O-N 3.09Å; E1054-R1058 IonicContact OE1-CZ 3.65Å; E1054-R1058 IonicContact OE1-NE 3.93Å; E1054-R1058 IonicContact OE1-NH1 3.17Å; E1054-R1058 PolarHBondContact OE1-NH1 3.18Å; E1054-R1058 IonicContact OE1-NH2 2.84Å
1055	A	72.8	Confident	73	Confident	11 Å²	11	62.8 Å²	62.8	9%	0.091	32%	0.315	C	S	.	.	H	α-helix	trans	-65.6	-29.7	176.4	0	0	0	0	0	113.6	H990 R994 V995 K1051 Y1052 L1053	H990-A1055 PolarHBondContact NE2-O 3.48Å; R994-A1055 HydrophobicContact CB-CB 4.03Å; V995-A1055 HydrophobicContact CG2-CB 3.78Å; K1051-A1055 PolarHBondContact O-N 3.06Å; Y1052-A1055 PolarHBondContact O-N 2.89Å; Y1052-A1055 VanDerWaalsContact O-N 3.17Å; L1053-A1055 VanDerWaalsContact C-N 3.35Å; L1053-A1055 PolarHBondContact O-N 2.99Å
1056	L	77.7	Confident	72.4	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-89.5	-39.4	-178.9	-66.3	168.5	0	0	0	113.2	Y991 V995 L1000 F1003 Y1052 L1053 E1054	Y991-L1056 HydrophobicContact CD2-CD2 4.23Å; Y991-L1056 HydrophobicContact CG-CD2 4.37Å; V995-L1056 HydrophobicContact CG1-CD1 4.34Å; V995-L1056 HydrophobicContact CG2-CD1 4.47Å; V995-L1056 HydrophobicContact CG2-CD2 4.14Å; V995-L1056 HydrophobicContact CG2-CG 4.01Å; L1000-L1056 HydrophobicContact CD1-CD2 3.45Å; L1000-L1056 VanDerWaalsContact CD1-CD2 3.45Å; F1003-L1056 HydrophobicContact CB-CD1 3.99Å; F1003-L1056 HydrophobicContact CD1-CD1 4.06Å; F1003-L1056 HydrophobicContact CD2-CD1 4.15Å; F1003-L1056 HydrophobicContact CG-CD1 3.79Å; Y1052-L1056 WeakPolarHBondContact O-CG 3.37Å; Y1052-L1056 PolarHBondContact O-N 3.23Å; L1053-L1056 PolarHBondContact O-N 2.83Å; E1054-L1056 VanDerWaalsContact C-N 3.28Å; E1054-L1056 PolarHBondContact O-N 3.01Å
1057	D	75	Confident	71.8	Confident	10 Å²	10	54.6 Å²	54.6	5%	0.053	28%	0.277	C	S	.	.	H	α-helix	trans	-111.1	-9.3	-166.6	-73.5	-23.2	0	0	0	114.6	S627 F1003 R1040 L1053 H1059	S627-D1057 VanDerWaalsContact CB-OD1 3.27Å; S627-D1057 WeakPolarHBondContact CB-OD1 3.33Å; F1003-D1057 WeakPolarHBondContact CZ-OD1 3.35Å; F1003-D1057 WeakPolarHBondContact CZ-OD2 2.97Å; R1040-D1057 IonicContact CZ-OD2 2.78Å; R1040-D1057 IonicContact NE-OD2 2.82Å; R1040-D1057 VanDerWaalsContact NH2-CG 3.32Å; R1040-D1057 IonicContact NH2-OD2 2.67Å; R1040-D1057 PolarHBondContact NH2-OD2 2.94Å; L1053-D1057 VanDerWaalsContact O-CB 3.3Å; L1053-D1057 WeakPolarHBondContact O-CB 3.38Å; L1053-D1057 PolarHBondContact O-N 3.47Å; D1057-H1059 PolarHBondContact O-N 3.28Å; D1057-H1059 VanDerWaalsContact O-N 3.12Å
1058	R	61.2	Low	71	Confident	69 Å²	69	56.2 Å²	56.2	26%	0.26	28%	0.276	S	S	.	.			trans	-64.4	118.6	176.7	-163.7	173.1	-161.2	176.6	-0.4	108.9	S463 E1054 F1060	S463-R1058 PolarHBondContact OG-NH2 2.97Å; E1054-R1058 HydrophobicContact CG-CB 4.22Å; E1054-R1058 HydrophobicContact CG-CG 4.48Å; E1054-R1058 WeakPolarHBondContact O-CB 3.49Å; E1054-R1058 PolarHBondContact O-N 3.09Å; E1054-R1058 IonicContact OE1-CZ 3.65Å; E1054-R1058 IonicContact OE1-NE 3.93Å; E1054-R1058 IonicContact OE1-NH1 3.17Å; E1054-R1058 PolarHBondContact OE1-NH1 3.18Å; E1054-R1058 IonicContact OE1-NH2 2.84Å; R1058-F1060 VanDerWaalsContact C-N 3.27Å; R1058-F1060 PolarHBondContact O-N 2.88Å
1059	H	50.2	Low	70	Confident	65 Å²	65	60.8 Å²	60.8	30%	0.301	30%	0.298	S	S	.	.			trans	-62.4	97.9	152.8	-79.3	-61.6	0	0	0	105.1	R626 E629 D1057	R626-H1059 PolarHBondContact N-NE2 2.82Å; E629-H1059 VanDerWaalsContact CD-NE2 3.34Å; E629-H1059 IonicContact OE1-CD2 2.73Å; E629-H1059 IonicContact OE1-CE1 3.12Å; E629-H1059 IonicContact OE1-NE2 2.93Å; E629-H1059 PolarHBondContact OE1-NE2 3Å; E629-H1059 IonicContact OE2-CE1 3.51Å; E629-H1059 PolarHBondContact OE2-CE1 2.85Å; E629-H1059 IonicContact OE2-NE2 3.52Å; E629-H1059 PolarHBondContact OE2-NE2 3.19Å; D1057-H1059 PolarHBondContact O-N 3.28Å; D1057-H1059 VanDerWaalsContact O-N 3.12Å
1060	F	33.9	Very low	69.1	Low	134 Å²	134	58.3 Å²	58.3	59%	0.588	28%	0.283	S	S	*	.			trans	-56.6	0	179.1	-101.6	-78.6	0	0	0	111.9	P856 R1058	P856-F1060 WeakPolarHBondContact CB-O 2.89Å; P856-F1060 HydrophobicContact CG-CB 4.39Å; P856-F1060 WeakPolarHBondContact CG-O 3.21Å; R1058-F1060 VanDerWaalsContact C-N 3.27Å; R1058-F1060 PolarHBondContact O-N 2.88Å

Retrieved 1,060 of 1,060 residues in 1982.4 ms (Link to these results)

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