A0A3Q0KD20_SCHMA Loading...

DNA ligase

AlphaFold DB , UniProt , Accession A0A3Q0KD20, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 843 aa.

						>A0A3Q0KD20_SCHMA|A0A3Q0KD20
MPQKSILSFFSGSEKKETERTNKEKIIGSKPPNNTSHKNIKRRRIIVESDDSLTETPNKSSECVHNDINFEESDVEIPSKLPDLVHQQPIRSPTSEDKLLENVTDTRSKDEFKNLSESNLVRLQCAEIEASNILSTSNDNEKSSRSPEKLVACYDPSKAGYHPIHDCNWREGESVPYLSLARTFECIEATSGRIKITEILCNFFRSVGLLSSFDLTSCVYLCLNRLGPAYEGMELGVGETILLKALAATTGVGIEHMRSSLKQHGDLGAVAETIRSRQKILSAPKPLTISSVFSKLKDIASMSGNSAQNKKMEIIRSLLVACRESETKYIIRSLSGKLRIGLAEQTVLTALGQAVAMTPFHFKVSDKSTRIINASNGMSSEQWKVTMDIAVANVKRAYCVCPDYSRLIKALLTKSHESLDQICTITPGIPLKPMLASPTHGIYEILKRFEECDFTCEYKYDGERAQIHILPSGASHVYSRNQEDNTTKYPDIVNNLMSRVLPESKLTPHAIELLSEIVKDNKIQVQSNGIVGNKLESCIIDSEVVAWDRLAGHILPFQVLSTRKRKDVDESTLKVQICIYVFDILFINGISLIEQPLRIRREILREVFPRISGEFMMATSLDSSDTDEIATFLDEAIKGNCEGLMIKTLDRNSTYEIAKRSHSWLKLKKDYLEGVGDTLDLVVIGGFYGTGKRAGRYGGYLLACYDPDTEEYQTICKIGTGMKDDELASFSEFFKNHATDKAKPYYQYTISLIPDQWFEPVQVWEVKAADLSISPGHKAAAGLADPQKGISLRFPRFVRIRDDKKPEDATTAQQVYELYQNQEQIKNQHGNKQTGNNDDEDMY
					

Structure Viewer

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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	27.3	Very low	33.5	Very low	241 Å²	241	156.4 Å²	156.4	100%	1.187	82%	0.816	S	S	*	*				0	138.9	0	-78.4	-79.2	-174	0	0	108.3
2	P	34.5	Very low	33.1	Very low	116 Å²	116	148.8 Å²	148.8	75%	0.753	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-90.3	164	-140.7	34.5	-35.8	0	0	0	115.9
3	Q	32.7	Very low	32.6	Very low	199 Å²	199	145.9 Å²	145.9	93%	0.93	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-52.4	127.2	174.7	-71.2	169.6	-34.7	0	0	112.6
4	K	36.1	Very low	31.9	Very low	208 Å²	208	148.1 Å²	148.1	90%	0.904	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-87.3	124	164.3	-79.1	-176.6	175.7	179.9	0	109.6
5	S	37.1	Very low	31.5	Very low	89 Å²	89	152.5 Å²	152.5	62%	0.622	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-61.9	136.2	175.4	171.9	0	0	0	0	112.1	L7	S5-L7 PolarHBondContact O-N 3.33Å
6	I	39.3	Very low	30.9	Very low	148 Å²	148	154.9 Å²	154.9	76%	0.759	81%	0.814	S	S	*	*	S	Bend	trans	-83.3	10	-176.1	-140.7	164.6	0	0	0	113.6	S8	I6-S8 PolarHBondContact O-N 2.96Å
7	L	33.4	Very low	30.5	Very low	155 Å²	155	157.3 Å²	157.3	81%	0.812	82%	0.82	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	10.2	177.8	-93	160.4	0	0	0	114.7	S5	S5-L7 PolarHBondContact O-N 3.33Å
8	S	33.5	Very low	30	Very low	100 Å²	100	155.6 Å²	155.6	70%	0.699	82%	0.818	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	10.4	176.6	68.7	0	0	0	0	114.8	I6	I6-S8 PolarHBondContact O-N 2.96Å
9	F	33.9	Very low	29.8	Very low	155 Å²	155	157.9 Å²	157.9	68%	0.68	82%	0.824	S	S	*	*	S	Bend	trans	-102.6	-6.2	-173.2	-122.1	-88.5	0	0	0	117.1
10	F	33.8	Very low	29.3	Very low	202 Å²	202	161.6 Å²	161.6	89%	0.886	83%	0.826	S	S	*	*	S	Bend	trans	-138.1	29.7	-176	-67.8	-71.6	0	0	0	116.1
11	S	26.7	Very low	29	Very low	107 Å²	107	159.8 Å²	159.8	75%	0.748	82%	0.823	S	S	*	*			trans	-127.4	101.3	167.7	61.6	0	0	0	0	111.1
12	G	29	Very low	28.8	Very low	66 Å²	66	154.9 Å²	154.9	68%	0.68	80%	0.801	S	S	*	*			trans	173.7	79.1	172.6	0	0	0	0	0	109.2
13	S	26.2	Very low	28.2	Very low	111 Å²	111	158.7 Å²	158.7	78%	0.776	81%	0.806	S	S	*	*				73.4	103.8	92.6	64.9	0	0	0	0	113.2
14	E	23.4	Very low	27.9	Very low	176 Å²	176	158.5 Å²	158.5	82%	0.822	81%	0.805	S	S	*	*			trans	31.2	111.7	139.6	-62.8	-173.8	156.8	0	0	118.4
15	K	25.3	Very low	27.2	Very low	214 Å²	214	157.4 Å²	157.4	93%	0.93	80%	0.8	S	S	*	*			trans	-124.6	114.7	140.4	-81.9	-171.2	176.3	-178.6	0	109.9
16	K	22.2	Very low	26.7	Very low	191 Å²	191	161 Å²	161	83%	0.83	81%	0.811	S	S	*	*			trans	-62.9	128.2	162.2	-70.9	169.7	174.6	170.1	0	108.3
17	E	24.9	Very low	25.8	Very low	196 Å²	196	161.3 Å²	161.3	92%	0.916	81%	0.813	S	S	*	*			trans	-132.8	117	150.4	-114.3	169.7	-171.7	0	0	108.7
18	T	21.1	Very low	25.5	Very low	127 Å²	127	157.1 Å²	157.1	78%	0.779	81%	0.807	S	S	*	*			trans	-81.6	120.4	176.4	33.7	0	0	0	0	109.5
19	E	25.9	Very low	25.1	Very low	200 Å²	200	158 Å²	158	94%	0.935	81%	0.813	S	S	*	*			trans	-124.2	119.4	150.1	-84.2	-170.2	156.3	0	0	110
20	R	19.5	Very low	24.6	Very low	231 Å²	231	160.3 Å²	160.3	87%	0.872	82%	0.823	S	S	*	*			trans	-85.2	139.6	169.3	-67.4	168.9	167.2	176.9	-3.8	106.8
21	T	23.7	Very low	24.3	Very low	124 Å²	124	156 Å²	156	76%	0.761	82%	0.815	S	S	*	*				-174.4	131.7	114.4	28.2	0	0	0	0	113.1
22	N	22.8	Very low	24.2	Very low	137 Å²	137	157 Å²	157	73%	0.733	82%	0.819	S	S	*	*			trans	55.6	104.6	144.6	-60.4	-20.7	0	0	0	119.1
23	K	22.3	Very low	24	Very low	197 Å²	197	161.4 Å²	161.4	86%	0.857	83%	0.827	S	S	*	*				56.7	102.1	80	-75.9	-173.2	177.4	175.8	0	112.9
24	E	25.3	Very low	23.9	Very low	194 Å²	194	163.6 Å²	163.6	91%	0.907	83%	0.83	S	S	*	*				-145.8	122.4	129.1	-111.2	170	-162.5	0	0	109.8
25	K	22.3	Very low	24	Very low	185 Å²	185	161.4 Å²	161.4	80%	0.804	83%	0.829	S	S	*	*			trans	-89.5	123	175.2	-80.5	176.2	171.1	-179.3	0	107
26	I	25.3	Very low	24.1	Very low	164 Å²	164	156.2 Å²	156.2	84%	0.841	82%	0.819	S	S	*	*			trans	-115.3	111	155.5	-61.9	179.8	0	0	0	107.1
27	I	21.6	Very low	24.3	Very low	156 Å²	156	155.3 Å²	155.3	80%	0.8	82%	0.818	S	S	*	*			trans	-84.7	113.7	175.3	-66.9	169.7	0	0	0	106.4
28	G	27.5	Very low	24.4	Very low	67 Å²	67	155.6 Å²	155.6	69%	0.691	82%	0.816	S	S	*	*			trans	-133.3	117.8	170.6	0	0	0	0	0	109.2
29	S	24.9	Very low	24.7	Very low	118 Å²	118	156.4 Å²	156.4	83%	0.825	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-51.1	132.8	-174.7	44.2	0	0	0	0	115.1
30	K	23.1	Very low	24.8	Very low	203 Å²	203	154.4 Å²	154.4	88%	0.883	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-76.5	128.5	170.1	-76.2	-179.6	175.4	178	0	111.3
31	P	27	Very low	25.1	Very low	112 Å²	112	152.6 Å²	152.6	73%	0.727	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-78.8	163.1	163.2	32.9	-30.4	0	0	0	111
32	P	25.4	Very low	25.3	Very low	127 Å²	127	155.7 Å²	155.7	83%	0.825	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-78	151.5	-157.4	30.3	-33.8	0	0	0	114.2	N34	P32-N34 PolarHBondContact O-N 3.14Å
33	N	23.6	Very low	25.5	Very low	159 Å²	159	159.5 Å²	159.5	85%	0.85	81%	0.81	S	S	*	*			trans	-55.5	98.8	176.7	-83	-23.7	0	0	0	112.1
34	N	25.2	Very low	25.7	Very low	158 Å²	158	159.4 Å²	159.4	85%	0.845	80%	0.804	S	S	*	*			trans	-84.4	104.6	150.3	-103	-14.2	0	0	0	107.7	P32 S36	P32-N34 PolarHBondContact O-N 3.14Å; N34-S36 PolarHBondContact O-N 2.81Å
35	T	24.6	Very low	25.8	Very low	130 Å²	130	156.2 Å²	156.2	80%	0.798	79%	0.792	S	S	*	*			trans	-62.6	82.6	167.9	35	0	0	0	0	109.5	H37	T35-H37 PolarHBondContact O-N 3.29Å
36	S	26.9	Very low	25.8	Very low	104 Å²	104	153.5 Å²	153.5	73%	0.727	79%	0.785	S	S	*	*			trans	-73.9	117.2	165.5	54.4	0	0	0	0	108.2	N34 K38	N34-S36 PolarHBondContact O-N 2.81Å; S36-K38 PolarHBondContact O-N 3.34Å
37	H	27.1	Very low	25.8	Very low	173 Å²	173	150.8 Å²	150.8	80%	0.801	78%	0.776	S	S	*	*			trans	-47.9	114.4	170.1	-74.9	-81.3	0	0	0	109.2	T35 N39	T35-H37 PolarHBondContact O-N 3.29Å; H37-N39 PolarHBondContact O-N 2.81Å
38	K	27.4	Very low	25.9	Very low	202 Å²	202	151.6 Å²	151.6	88%	0.878	78%	0.776	S	S	*	*			trans	-63	92.6	166.3	-79.2	-175.8	177.6	178.1	0	107.4	S36 I40	S36-K38 PolarHBondContact O-N 3.34Å; K38-I40 PolarHBondContact O-N 3.07Å
39	N	27.7	Very low	25.8	Very low	144 Å²	144	152.6 Å²	152.6	77%	0.77	77%	0.772	S	S	*	*			trans	-55.4	106	171.1	-86.6	-30.5	0	0	0	108.5	H37 K41	H37-N39 PolarHBondContact O-N 2.81Å; N39-K41 VanDerWaalsContact C-N 3.33Å; N39-K41 PolarHBondContact O-N 2.74Å
40	I	27.5	Very low	25.9	Very low	157 Å²	157	153.6 Å²	153.6	81%	0.805	77%	0.769	S	S	*	*			trans	-65	97.5	170.4	-63.6	173.5	0	0	0	106.2	K38 R42	K38-I40 PolarHBondContact O-N 3.07Å; I40-R42 PolarHBondContact O-N 3.42Å
41	K	26.7	Very low	26	Very low	193 Å²	193	148.6 Å²	148.6	84%	0.839	75%	0.751	S	S	*	*			trans	-62.1	103	173.8	-73.4	-176.3	177.6	179.5	0	108.5	N39 R43	N39-K41 VanDerWaalsContact C-N 3.33Å; N39-K41 PolarHBondContact O-N 2.74Å; K41-R43 PolarHBondContact O-N 2.91Å
42	R	27.5	Very low	25.8	Very low	190 Å²	190	148.3 Å²	148.3	72%	0.717	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-59.7	119.8	168.8	-65.1	-177.8	-176.6	174.7	4.4	108.1	I40 E234	I40-R42 PolarHBondContact O-N 3.42Å; R42-E234 IonicContact NH1-OE2 2.96Å
43	R	27	Very low	25.8	Very low	216 Å²	216	149.2 Å²	149.2	82%	0.815	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-64.9	142	-179.2	-77.6	180	172.4	167	-3.7	110.2	K41 I45	K41-R43 PolarHBondContact O-N 2.91Å; R43-I45 PolarHBondContact O-N 3.49Å
44	R	26.6	Very low	25.7	Very low	196 Å²	196	147.7 Å²	147.7	74%	0.74	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-57	126.9	172.7	-76.5	178.7	-179.9	147.6	0.1	109.6	I46	R44-I46 HydrophobicContact CB-CG1 4.39Å; R44-I46 PolarHBondContact O-N 3.39Å
45	I	26.4	Very low	25.7	Very low	126 Å²	126	149.1 Å²	149.1	65%	0.646	75%	0.747	S	S	*	*			trans	-76	101.8	158.2	-60.1	174.5	0	0	0	105.1	R43 V47	R43-I45 PolarHBondContact O-N 3.49Å; I45-V47 HydrophobicContact CG2-CG2 3.95Å; I45-V47 PolarHBondContact O-N 3.44Å
46	I	22.7	Very low	25.6	Very low	128 Å²	128	148.1 Å²	148.1	66%	0.656	74%	0.741	S	S	*	*			trans	-79.8	101.6	165.2	-60	171.8	0	0	0	104.6	R44	R44-I46 HydrophobicContact CB-CG1 4.39Å; R44-I46 PolarHBondContact O-N 3.39Å
47	V	25	Very low	25.4	Very low	108 Å²	108	149.2 Å²	149.2	66%	0.655	75%	0.746	S	S	*	*			trans	-73.9	121.8	160	-178.2	0	0	0	0	105.1	I45 S49	I45-V47 HydrophobicContact CG2-CG2 3.95Å; I45-V47 PolarHBondContact O-N 3.44Å; V47-S49 PolarHBondContact O-N 2.83Å
48	E	23.9	Very low	25.2	Very low	172 Å²	172	148.2 Å²	148.2	80%	0.804	75%	0.747	S	S	*	*			trans	-55.2	112.6	171.6	-71.3	175.7	167.4	0	0	108
49	S	25.3	Very low	25	Very low	88 Å²	88	147.8 Å²	147.8	62%	0.615	75%	0.745	S	S	*	*			trans	-84.9	128.8	167	48.5	0	0	0	0	108.4	V47 D51	V47-S49 PolarHBondContact O-N 2.83Å; S49-D51 PolarHBondContact O-N 3.32Å
50	D	27.1	Very low	24.7	Very low	139 Å²	139	146.4 Å²	146.4	74%	0.743	75%	0.746	S	S	*	*			trans	-62.7	68.6	177.9	-82	-33	0	0	0	112.8	R660	D50-R660 PolarHBondContact O-NH2 2.7Å
51	D	24.9	Very low	24.5	Very low	98 Å²	98	144.2 Å²	144.2	52%	0.524	75%	0.745	S	S	.	*			trans	-101.5	11.6	175.9	-89.5	-16.3	0	0	0	113.7	S49 R660	S49-D51 PolarHBondContact O-N 3.32Å; D51-R660 IonicContact OD1-CZ 2.71Å; D51-R660 IonicContact OD1-NH2 3.47Å; D51-R660 PolarHBondContact OD1-NH2 2.93Å
52	S	23.9	Very low	24.3	Very low	106 Å²	106	144.4 Å²	144.4	74%	0.741	75%	0.749	S	S	*	*			trans	-118.2	53.6	177	69.9	0	0	0	0	113.1
53	L	24	Very low	24	Very low	146 Å²	146	141.1 Å²	141.1	76%	0.764	75%	0.754	S	S	*	*			trans	-119.7	78.3	158.9	-68.2	176.5	0	0	0	107.6
54	T	23.3	Very low	23.9	Very low	127 Å²	127	137.2 Å²	137.2	78%	0.779	75%	0.753	S	S	*	*			trans	-89.5	106.5	153.2	49.9	0	0	0	0	105.3	T56	T54-T56 PolarHBondContact O-N 3.23Å; T54-T56 VanDerWaalsContact O-N 3.16Å
55	E	24.5	Very low	23.7	Very low	188 Å²	188	135.1 Å²	135.1	88%	0.879	75%	0.752	S	S	*	*			trans	-58.1	119.4	169.5	-73.8	-178.2	163.9	0	0	108.1
56	T	22	Very low	23.5	Very low	109 Å²	109	135.8 Å²	135.8	67%	0.669	76%	0.757	S	S	*	*			trans	-62.9	130	170.7	42.2	0	0	0	0	108.6	T54 N58	T54-T56 PolarHBondContact O-N 3.23Å; T54-T56 VanDerWaalsContact O-N 3.16Å; T56-N58 PolarHBondContact O-N 2.98Å
57	P	22.6	Very low	23.5	Very low	128 Å²	128	135.8 Å²	135.8	83%	0.831	76%	0.758	S	S	*	*			trans	-68.1	103.4	173.7	26.4	-29.5	0	0	0	108	K59	P57-K59 PolarHBondContact O-N 2.7Å
58	N	23	Very low	23.4	Very low	151 Å²	151	136.9 Å²	136.9	81%	0.807	76%	0.759	S	S	*	*			trans	-63.3	122.3	174.2	-92.8	-17.9	0	0	0	108.7	T56 S60	T56-N58 PolarHBondContact O-N 2.98Å; N58-S60 PolarHBondContact O-N 2.87Å
59	K	22.5	Very low	23.2	Very low	193 Å²	193	135.4 Å²	135.4	84%	0.839	76%	0.757	S	S	*	*			trans	-56.8	124	170.4	-75.9	178.9	173.5	179.7	0	109.7	P57 S61	P57-K59 PolarHBondContact O-N 2.7Å; K59-S61 PolarHBondContact O-N 3.08Å
60	S	22.1	Very low	23.1	Very low	115 Å²	115	140.7 Å²	140.7	80%	0.804	77%	0.769	S	S	*	*			trans	-3.1	105.3	154.4	55.4	0	0	0	0	115.6	N58	N58-S60 PolarHBondContact O-N 2.87Å
61	S	24.4	Very low	22.8	Very low	111 Å²	111	141.9 Å²	141.9	78%	0.776	77%	0.77	S	S	*	*			trans	-136.2	115.7	150.2	-66.5	0	0	0	0	105.7	K59 C63	K59-S61 PolarHBondContact O-N 3.08Å; S61-C63 PolarHBondContact O-N 3.21Å; S61-C63 VanDerWaalsContact O-N 3.14Å
62	E	21.4	Very low	22.8	Very low	198 Å²	198	146.5 Å²	146.5	93%	0.925	79%	0.788	S	S	*	*			trans	-54.7	110.3	-173.5	-66.4	166.5	150.8	0	0	111
63	C	21.9	Very low	22.7	Very low	121 Å²	121	146.1 Å²	146.1	82%	0.818	79%	0.785	S	S	*	*			trans	-136.3	110.2	160.7	-82.5	0	0	0	0	107	S61 H65	S61-C63 PolarHBondContact O-N 3.21Å; S61-C63 VanDerWaalsContact O-N 3.14Å; C63-H65 PolarHBondContact O-N 3.31Å
64	V	23.5	Very low	22.6	Very low	133 Å²	133	147 Å²	147	81%	0.806	79%	0.791	S	S	*	*			trans	-21.9	118.7	177.8	-176.8	0	0	0	0	114.3	N66	V64-N66 PolarHBondContact O-N 3.34Å; V64-N66 VanDerWaalsContact O-N 3.14Å
65	H	22.9	Very low	22.6	Very low	152 Å²	152	146.8 Å²	146.8	70%	0.704	79%	0.79	S	S	*	*			trans	-55.1	108.8	165.8	-83.7	-88.6	0	0	0	110.2	C63 D67	C63-H65 PolarHBondContact O-N 3.31Å; H65-D67 IonicContact ND1-OD1 3.19Å; H65-D67 PolarHBondContact ND1-OD1 2.83Å; H65-D67 IonicContact ND1-OD2 3.68Å
66	N	22.4	Very low	22.4	Very low	141 Å²	141	146.7 Å²	146.7	75%	0.754	79%	0.789	S	S	*	*			trans	-105.6	84.3	150.5	-84.2	-11.6	0	0	0	106.4	V64 I68	V64-N66 PolarHBondContact O-N 3.34Å; V64-N66 VanDerWaalsContact O-N 3.14Å; N66-I68 VanDerWaalsContact C-N 3.29Å; N66-I68 PolarHBondContact O-N 3.19Å
67	D	23	Very low	22.5	Very low	127 Å²	127	148.7 Å²	148.7	68%	0.679	79%	0.794	S	S	*	*			trans	-67.8	92.3	166.9	-65.1	-31.4	0	0	0	107.3	H65 N69	H65-D67 IonicContact ND1-OD1 3.19Å; H65-D67 PolarHBondContact ND1-OD1 2.83Å; H65-D67 IonicContact ND1-OD2 3.68Å; D67-N69 VanDerWaalsContact C-N 3.31Å; D67-N69 PolarHBondContact O-N 2.97Å; D67-N69 VanDerWaalsContact O-N 3.11Å
68	I	21.8	Very low	22.6	Very low	132 Å²	132	148.1 Å²	148.1	68%	0.677	79%	0.79	S	S	*	*			trans	-79.2	90.4	167.9	-59.9	176.1	0	0	0	106.2	N66 F70	N66-I68 VanDerWaalsContact C-N 3.29Å; N66-I68 PolarHBondContact O-N 3.19Å; I68-F70 PolarHBondContact O-N 3.28Å
69	N	20.3	Very low	22.8	Very low	141 Å²	141	146.5 Å²	146.5	75%	0.754	79%	0.791	S	S	*	*			trans	-59.2	112.9	160.2	-95.8	-18.1	0	0	0	107.8	D67 E71	D67-N69 VanDerWaalsContact C-N 3.31Å; D67-N69 PolarHBondContact O-N 2.97Å; D67-N69 VanDerWaalsContact O-N 3.11Å; N69-E71 PolarHBondContact O-N 3.28Å
70	F	23.5	Very low	22.8	Very low	198 Å²	198	146 Å²	146	87%	0.868	79%	0.789	S	S	*	*			trans	-72.1	78.7	164	-78.3	-92.2	0	0	0	108	I68	I68-F70 PolarHBondContact O-N 3.28Å
71	E	21.3	Very low	23	Very low	164 Å²	164	147.5 Å²	147.5	77%	0.766	79%	0.787	S	S	*	*			trans	-75.2	118.8	152.6	-74.5	-167.5	167.1	0	0	106.9	N69 S73	N69-E71 PolarHBondContact O-N 3.28Å; E71-S73 VanDerWaalsContact C-N 3.31Å; E71-S73 PolarHBondContact O-N 3.33Å
72	E	23.5	Very low	22.9	Very low	196 Å²	196	147.6 Å²	147.6	92%	0.916	79%	0.785	S	S	*	*			trans	-54.7	94.2	171.9	-71.4	176	152.8	0	0	108.8
73	S	21.8	Very low	23.1	Very low	97 Å²	97	145.9 Å²	145.9	68%	0.678	78%	0.782	S	S	*	*			trans	-94.9	122.3	162.3	43.6	0	0	0	0	107	E71 V75	E71-S73 VanDerWaalsContact C-N 3.31Å; E71-S73 PolarHBondContact O-N 3.33Å; S73-V75 PolarHBondContact O-N 3.04Å
74	D	22.5	Very low	23.4	Very low	164 Å²	164	147.2 Å²	147.2	88%	0.877	78%	0.78	S	S	*	*			trans	-51.6	95.9	178.3	-67	-51.6	0	0	0	111	E76	D74-E76 PolarHBondContact O-N 3.22Å
75	V	23.9	Very low	23.4	Very low	124 Å²	124	147.4 Å²	147.4	75%	0.752	78%	0.782	S	S	*	*			trans	-80.1	101.9	168.7	-179.8	0	0	0	0	107.1	S73 I77	S73-V75 PolarHBondContact O-N 3.04Å; V75-I77 PolarHBondContact O-N 3.24Å; V75-I77 VanDerWaalsContact O-N 3.09Å
76	E	20.1	Very low	23.4	Very low	185 Å²	185	148.8 Å²	148.8	86%	0.864	79%	0.788	S	S	*	*			trans	-52.8	114.2	170	-89.6	-174.7	149.2	0	0	110.6	D74 P78	D74-E76 PolarHBondContact O-N 3.22Å; E76-P78 WeakPolarHBondContact O-CD 3.45Å
77	I	24.7	Very low	23.5	Very low	152 Å²	152	150.8 Å²	150.8	78%	0.779	79%	0.793	S	S	*	*			trans	-72.7	120.8	176.5	-60.3	167.4	0	0	0	108.5	V75 S79	V75-I77 PolarHBondContact O-N 3.24Å; V75-I77 VanDerWaalsContact O-N 3.09Å; I77-S79 PolarHBondContact O-N 3.48Å; I77-S79 VanDerWaalsContact O-N 3.08Å
78	P	24.6	Very low	23.5	Very low	115 Å²	115	153.5 Å²	153.5	75%	0.747	80%	0.801	S	S	*	*			trans	-63.1	114.2	171.9	-19.5	32	0	0	0	109.9	E76 K80	E76-P78 WeakPolarHBondContact O-CD 3.45Å; P78-K80 PolarHBondContact O-N 3.2Å
79	S	26.8	Very low	23.5	Very low	118 Å²	118	152.8 Å²	152.8	83%	0.825	81%	0.805	S	S	*	*	S	Bend	trans	-73.7	10.7	-171.6	55.9	0	0	0	0	115.6	I77	I77-S79 PolarHBondContact O-N 3.48Å; I77-S79 VanDerWaalsContact O-N 3.08Å
80	K	22.1	Very low	23.7	Very low	182 Å²	182	154.1 Å²	154.1	79%	0.791	81%	0.811	S	S	*	*	S	Bend	trans	-145.6	120.5	176	-71.7	-172.8	177.9	177.3	0	111.7	P78	P78-K80 PolarHBondContact O-N 3.2Å
81	L	26	Very low	23.5	Very low	147 Å²	147	156.1 Å²	156.1	77%	0.77	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-56.2	140.9	163.1	-136.9	82.6	0	0	0	108.8	D83	L81-D83 PolarHBondContact O-N 3.05Å
82	P	23.8	Very low	23.5	Very low	113 Å²	113	153.3 Å²	153.3	73%	0.734	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-59.6	135.9	172.7	-18.8	30.3	0	0	0	110.4	L84	P82-L84 PolarHBondContact O-N 3.14Å
83	D	24.7	Very low	23.5	Very low	161 Å²	161	149.9 Å²	149.9	86%	0.861	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-51.6	116.1	176	-73.5	-41.7	0	0	0	109.9	L81 V85	L81-D83 PolarHBondContact O-N 3.05Å; D83-V85 PolarHBondContact O-N 3.33Å; D83-V85 VanDerWaalsContact O-N 3.09Å
84	L	27.6	Very low	23.3	Very low	150 Å²	150	152 Å²	152	79%	0.785	81%	0.814	S	S	*	*			trans	-55.5	115.5	175	-82.5	156.1	0	0	0	108.5	P82 H86	P82-L84 PolarHBondContact O-N 3.14Å; L84-H86 PolarHBondContact O-N 3.24Å
85	V	23.8	Very low	23.3	Very low	137 Å²	137	149.7 Å²	149.7	83%	0.83	81%	0.811	S	S	*	*			trans	-48.3	112.3	174.2	175.2	0	0	0	0	108.6	D83 Q87	D83-V85 PolarHBondContact O-N 3.33Å; D83-V85 VanDerWaalsContact O-N 3.09Å; V85-Q87 PolarHBondContact O-N 3.44Å
86	H	23.7	Very low	23.1	Very low	180 Å²	180	152.4 Å²	152.4	83%	0.833	82%	0.816	S	S	*	*			trans	-50.5	109.2	171.5	-87.2	-47.3	0	0	0	109.2	L84 Q88	L84-H86 PolarHBondContact O-N 3.24Å; H86-Q88 PolarHBondContact O-N 3.43Å
87	Q	25	Very low	23.3	Very low	184 Å²	184	150.7 Å²	150.7	86%	0.86	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-60.3	123	164.5	-72.5	-176.6	-0.6	0	0	107.6	V85	V85-Q87 PolarHBondContact O-N 3.44Å
88	Q	21.2	Very low	23.1	Very low	184 Å²	184	152.1 Å²	152.1	86%	0.86	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-61.7	128.4	175.2	-71.8	-176.9	-6.3	0	0	109	H86 I90	H86-Q88 PolarHBondContact O-N 3.43Å; Q88-I90 PolarHBondContact O-N 2.97Å
89	P	23.2	Very low	22.9	Very low	116 Å²	116	153.3 Å²	153.3	75%	0.753	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-64.3	132.4	178.1	23.3	-30	0	0	0	109.9	R91	P89-R91 PolarHBondContact O-N 3.38Å
90	I	23.1	Very low	22.7	Very low	170 Å²	170	156 Å²	156	87%	0.872	82%	0.816	S	S	*	*			trans	-55.7	110.6	176.4	-62.8	169.6	0	0	0	108.2	Q88 S92	Q88-I90 PolarHBondContact O-N 2.97Å; I90-S92 PolarHBondContact O-N 3.21Å
91	R	19.7	Very low	22.6	Very low	240 Å²	240	154.7 Å²	154.7	91%	0.906	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-68.6	119	175.6	-73.8	-179.6	175.1	-176.6	-1.7	109.5	P89	P89-R91 PolarHBondContact O-N 3.38Å
92	S	22.2	Very low	22.4	Very low	105 Å²	105	154.5 Å²	154.5	73%	0.734	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-77.4	143.3	167.7	41.3	0	0	0	0	110.9	I90	I90-S92 PolarHBondContact O-N 3.21Å
93	P	22.6	Very low	22.4	Very low	124 Å²	124	155.9 Å²	155.9	81%	0.805	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-76.4	130.4	178	-7.3	24.1	0	0	0	111.4	S95	P93-S95 PolarHBondContact O-N 3.21Å
94	T	19	Very low	22.1	Very low	140 Å²	140	153.4 Å²	153.4	86%	0.859	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-64.9	118.4	167.8	42.2	0	0	0	0	110.7
95	S	21.7	Very low	21.8	Very low	116 Å²	116	152.5 Å²	152.5	81%	0.811	81%	0.806	S	S	*	*			trans	-128.4	131.3	147.8	48.6	0	0	0	0	107.4	P93	P93-S95 PolarHBondContact O-N 3.21Å
96	E	19.1	Very low	21.7	Very low	182 Å²	182	151.4 Å²	151.4	85%	0.85	80%	0.8	S	S	*	*			trans	-66.4	130.9	-172.3	-60.8	163.6	141.9	0	0	110.2
97	D	23.9	Very low	21.4	Very low	149 Å²	149	154.3 Å²	154.3	80%	0.797	80%	0.803	S	S	*	*			trans	-168.1	101	134	-98.3	-30	0	0	0	111.2
98	K	20.7	Very low	21.3	Very low	181 Å²	181	151.2 Å²	151.2	79%	0.787	80%	0.802	S	S	*	*				31.4	128.1	129.1	-74.2	178.8	-179.7	173.3	0	120.2
99	L	20.4	Very low	21.2	Very low	140 Å²	140	151.6 Å²	151.6	73%	0.733	80%	0.801	S	S	*	*			trans	83.7	104.6	142.6	-63.9	159.7	0	0	0	117.3
100	L	23.7	Very low	21	Very low	174 Å²	174	152.9 Å²	152.9	91%	0.911	80%	0.801	S	S	*	*				-167.9	125.1	97.5	-96.8	153.8	0	0	0	110.9
101	E	19.2	Very low	21	Very low	155 Å²	155	152.5 Å²	152.5	72%	0.724	80%	0.796	S	S	*	*			trans	-70.7	166.6	174.7	-71	168	134.5	0	0	112.9
102	N	21.3	Very low	21.1	Very low	144 Å²	144	149.8 Å²	149.8	77%	0.77	79%	0.791	S	S	*	*			trans	91	105	160.1	-52.9	-39.1	0	0	0	115.8
103	V	24.8	Very low	21.1	Very low	142 Å²	142	153.6 Å²	153.6	86%	0.861	79%	0.794	S	S	*	*				-163.9	135.4	87.7	156.7	0	0	0	0	108.8
104	T	18.7	Very low	21.2	Very low	108 Å²	108	155.2 Å²	155.2	66%	0.663	80%	0.796	S	S	*	*			trans	-80	166.5	-179.2	43.5	0	0	0	0	113.1
105	D	21.5	Very low	21.5	Very low	132 Å²	132	156.2 Å²	156.2	71%	0.706	80%	0.795	S	S	*	*			trans	106	105.8	140.7	-70.4	-36	0	0	0	121.9
106	T	20.6	Very low	21.8	Very low	114 Å²	114	154.6 Å²	154.6	70%	0.699	78%	0.784	S	S	*	*				69.8	107.5	125.1	59.3	0	0	0	0	122.2
107	R	18.4	Very low	22.5	Very low	241 Å²	241	154.4 Å²	154.4	91%	0.909	78%	0.783	S	S	*	*				38.8	117.9	115	-68	-177.7	177	-179.8	-0.1	120.1
108	S	22.8	Very low	22.7	Very low	118 Å²	118	151.3 Å²	151.3	83%	0.825	77%	0.773	S	S	*	*			trans	175	128.2	132	26.5	0	0	0	0	105.7
109	K	17.9	Very low	23	Very low	192 Å²	192	147.4 Å²	147.4	84%	0.835	76%	0.761	S	S	*	*			cis	46.6	79.6	42.1	-77.4	-160.4	179.8	-173.1	0	112.9
110	D	20.8	Very low	23.4	Very low	144 Å²	144	147.7 Å²	147.7	77%	0.77	76%	0.762	S	S	*	*				164.5	154.9	102.4	-81.7	-33.4	0	0	0	110.9
111	E	22	Very low	23.5	Very low	162 Å²	162	144.4 Å²	144.4	76%	0.757	75%	0.749	S	S	*	*			trans	72.9	113.6	162.8	-43.9	-172.1	146.3	0	0	119.8
112	F	22.8	Very low	23.8	Very low	182 Å²	182	147.1 Å²	147.1	80%	0.798	75%	0.753	S	S	*	*				-180	134	88	-111.5	-84.9	0	0	0	112.8
113	K	21.9	Very low	24	Very low	185 Å²	185	147.9 Å²	147.9	80%	0.804	76%	0.756	S	S	*	*			trans	-63.3	160.9	158.8	-76.9	171.1	169.3	174.4	0	110.5
114	N	23.8	Very low	24.1	Very low	159 Å²	159	148.4 Å²	148.4	85%	0.85	75%	0.749	S	S	*	*			trans	94.1	74.5	171.1	-58.4	-17.2	0	0	0	116.4
115	L	26.6	Very low	24.4	Very low	161 Å²	161	149.3 Å²	149.3	84%	0.843	76%	0.758	S	S	*	*			trans	-87	100.6	156.8	-80.7	153.7	0	0	0	108.4
116	S	26.9	Very low	24.6	Very low	81 Å²	81	147 Å²	147	57%	0.566	76%	0.757	S	S	*	*			trans	-78.4	153.8	169.8	64.2	0	0	0	0	110.9	S118 N119	S116-S118 PolarHBondContact O-N 2.89Å; S116-S118 PolarHBondContact OG-OG 3.44Å; S116-N119 PolarHBondContact O-N 2.97Å
117	E	34.1	Very low	24.7	Very low	179 Å²	179	150.5 Å²	150.5	84%	0.836	77%	0.766	S	S	*	*	G	3₁₀ helix	trans	-58.1	-4.5	-171.2	-73.3	178.7	137.1	0	0	116.3	N119 L120	E117-N119 VanDerWaalsContact C-N 3.3Å; E117-N119 PolarHBondContact O-N 3.37Å; E117-L120 PolarHBondContact O-N 3.47Å
118	S	28.1	Very low	25	Very low	84 Å²	84	146.5 Å²	146.5	59%	0.587	76%	0.761	S	S	*	*	G	3₁₀ helix	trans	-72.7	-17.3	179.1	58.1	0	0	0	0	114.4	S116	S116-S118 PolarHBondContact O-N 2.89Å; S116-S118 PolarHBondContact OG-OG 3.44Å
119	N	27.5	Very low	25	Very low	99 Å²	99	149.2 Å²	149.2	53%	0.529	76%	0.76	S	S	.	*	G	3₁₀ helix	trans	-92.2	-2.5	174.6	-78.6	-26.1	0	0	0	114.5	S116 E117 V121	S116-N119 PolarHBondContact O-N 2.97Å; E117-N119 VanDerWaalsContact C-N 3.3Å; E117-N119 PolarHBondContact O-N 3.37Å; N119-V121 VanDerWaalsContact C-N 3.33Å
120	L	28.3	Very low	25.3	Very low	146 Å²	146	144.5 Å²	144.5	76%	0.764	76%	0.758	S	S	*	*	S	Bend	trans	-78.1	-18.1	176.6	-145	89.1	0	0	0	113	E117	E117-L120 PolarHBondContact O-N 3.47Å
121	V	26.3	Very low	25.5	Very low	104 Å²	104	141.8 Å²	141.8	63%	0.63	75%	0.75	S	S	*	*	S	Bend	trans	-89.9	-14.1	-177.9	-176	0	0	0	0	112.6	N119	N119-V121 VanDerWaalsContact C-N 3.33Å
122	R	24.7	Very low	25.6	Very low	213 Å²	213	141.8 Å²	141.8	80%	0.804	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	6	-177.8	-99.1	-178.5	178.7	162.4	-0.4	116.2	Q124	R122-Q124 PolarHBondContact O-N 3.37Å
123	L	25.6	Very low	25.6	Very low	159 Å²	159	139.7 Å²	139.7	83%	0.832	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	10.9	166.2	-88.3	156	0	0	0	113.1
124	Q	25.9	Very low	25.9	Very low	153 Å²	153	138.6 Å²	138.6	72%	0.715	75%	0.753	S	S	*	*	S	Bend	trans	-81.8	119.2	160.9	-95	170.8	-29.6	0	0	109.7	R122	R122-Q124 PolarHBondContact O-N 3.37Å
125	C	25.7	Very low	25.9	Very low	127 Å²	127	136 Å²	136	86%	0.858	75%	0.747	S	S	*	*			trans	63.3	62.4	165.4	-49.8	0	0	0	0	115.5
126	A	25.6	Very low	25.8	Very low	83 Å²	83	134.3 Å²	134.3	69%	0.686	74%	0.744	S	S	*	*			trans	-88.5	107.8	149.3	0	0	0	0	0	107.4	I128	A126-I128 VanDerWaalsContact C-N 3.33Å; A126-I128 PolarHBondContact O-N 3.46Å
127	E	23.3	Very low	25.8	Very low	189 Å²	189	135.5 Å²	135.5	88%	0.883	75%	0.752	S	S	*	*			trans	-56.3	98	164.3	-71.3	173.1	151.1	0	0	107.7	E129	E127-E129 VanDerWaalsContact C-N 3.35Å; E127-E129 PolarHBondContact O-N 3.47Å
128	I	24.4	Very low	25.2	Very low	157 Å²	157	133.7 Å²	133.7	81%	0.805	75%	0.748	S	S	*	*			trans	-73	100	169.3	-64.2	174.1	0	0	0	105.3	A126 A130	A126-I128 VanDerWaalsContact C-N 3.33Å; A126-I128 PolarHBondContact O-N 3.46Å; I128-A130 PolarHBondContact O-N 3.27Å
129	E	23.1	Very low	25.1	Very low	174 Å²	174	136 Å²	136	81%	0.813	75%	0.754	S	S	*	*			trans	-49.3	124.9	167	-72.3	-178	154.6	0	0	108.7	E127 S131	E127-E129 VanDerWaalsContact C-N 3.35Å; E127-E129 PolarHBondContact O-N 3.47Å; E129-S131 PolarHBondContact O-N 3.08Å
130	A	24.4	Very low	25	Very low	94 Å²	94	139 Å²	139	78%	0.777	77%	0.769	S	S	*	*			trans	-64.8	80.8	179.5	0	0	0	0	0	110.2	I128 N132	I128-A130 PolarHBondContact O-N 3.27Å; A130-N132 PolarHBondContact O-N 3.39Å; A130-N132 VanDerWaalsContact O-N 3.13Å
131	S	24	Very low	24.9	Very low	86 Å²	86	140.7 Å²	140.7	60%	0.601	77%	0.774	S	S	*	*			trans	-73.4	103.8	169	53.8	0	0	0	0	108.4	E129 I133	E129-S131 PolarHBondContact O-N 3.08Å; S131-I133 PolarHBondContact O-N 2.94Å
132	N	23.8	Very low	25.1	Very low	163 Å²	163	144.4 Å²	144.4	87%	0.872	78%	0.781	S	S	*	*			trans	-42.7	96.2	171.8	-77.5	-36.8	0	0	0	112.6	A130	A130-N132 PolarHBondContact O-N 3.39Å; A130-N132 VanDerWaalsContact O-N 3.13Å
133	I	24.3	Very low	25.3	Very low	137 Å²	137	140.2 Å²	140.2	70%	0.703	79%	0.785	S	S	*	*			trans	-142.1	78.9	163.8	-50.8	177.7	0	0	0	108	S131	S131-I133 PolarHBondContact O-N 2.94Å
134	L	27.3	Very low	25.3	Very low	163 Å²	163	137.9 Å²	137.9	85%	0.853	78%	0.782	S	S	*	*			trans	-128.4	105.1	149.4	-161.2	72.6	0	0	0	106.4	T136	L134-T136 PolarHBondContact O-N 3.48Å
135	S	24.5	Very low	25.4	Very low	105 Å²	105	140 Å²	140	73%	0.734	78%	0.783	S	S	*	*			trans	-54.4	119.2	172.8	48	0	0	0	0	109.1	S137	S135-S137 PolarHBondContact O-N 3.07Å; S135-S137 VanDerWaalsContact O-N 3.12Å
136	T	24.3	Very low	25.6	Very low	125 Å²	125	136.6 Å²	136.6	77%	0.767	76%	0.761	S	S	*	*			trans	-64.4	104.5	173.6	47.2	0	0	0	0	109.4	L134 N138	L134-T136 PolarHBondContact O-N 3.48Å; T136-N138 PolarHBondContact O-N 2.85Å
137	S	26.1	Very low	26.2	Very low	105 Å²	105	137.7 Å²	137.7	73%	0.734	76%	0.761	S	S	*	*			trans	-61.3	121.7	153.6	-48.2	0	0	0	0	107	S135 D139	S135-S137 PolarHBondContact O-N 3.07Å; S135-S137 VanDerWaalsContact O-N 3.12Å; S137-D139 PolarHBondContact O-N 3.05Å
138	N	22.6	Very low	27.2	Very low	142 Å²	142	136.1 Å²	136.1	76%	0.759	75%	0.753	S	S	*	*			trans	-63.4	79.2	176.7	-87.6	-22.4	0	0	0	110.8	T136	T136-N138 PolarHBondContact O-N 2.85Å
139	D	26.3	Very low	27.9	Very low	132 Å²	132	135.5 Å²	135.5	71%	0.706	75%	0.745	S	S	*	*			trans	-106.9	92.1	156.3	-76.4	-28.1	0	0	0	107.2	S137 E141	S137-D139 PolarHBondContact O-N 3.05Å; D139-E141 PolarHBondContact O-N 2.94Å
140	N	24.7	Very low	29	Very low	161 Å²	161	131.8 Å²	131.8	86%	0.861	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	31	-176.2	-108.5	-16.4	0	0	0	114.4
141	E	27	Very low	30.3	Very low	183 Å²	183	129.7 Å²	129.7	86%	0.855	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.2	6.2	176.6	-76.1	-159.4	156	0	0	115.5	D139	D139-E141 PolarHBondContact O-N 2.94Å
142	K	30	Very low	31.9	Very low	181 Å²	181	128.8 Å²	128.8	79%	0.787	71%	0.705	S	S	*	*			trans	-102.9	15.6	-178.5	-79.7	-176.9	179.7	171.8	0	117.3
143	S	28.7	Very low	34.5	Very low	126 Å²	126	126.1 Å²	126.1	88%	0.881	70%	0.698	S	S	*	*	S	Bend	trans	-89.6	10.8	-179.2	-169.2	0	0	0	0	116.5
144	S	25.9	Very low	37.8	Very low	109 Å²	109	120.2 Å²	120.2	76%	0.762	67%	0.667	S	S	*	*			trans	-138.5	20.3	-171.5	67.6	0	0	0	0	118.2
145	R	26.7	Very low	41.1	Very low	199 Å²	199	115.4 Å²	115.4	75%	0.751	64%	0.642	S	S	*	*			trans	-108.4	117.9	171.5	-69.5	-174.6	-175.9	-175.4	2.9	111.3
146	S	30.7	Very low	44.5	Very low	55 Å²	55	110.4 Å²	110.4	39%	0.385	61%	0.607	S	S	.	*			trans	-59.6	150.3	176.5	54.8	0	0	0	0	111.6	E148 K149	S146-E148 PolarHBondContact O-N 2.91Å; S146-K149 PolarHBondContact O-N 3.27Å
147	P	38	Very low	48	Very low	106 Å²	106	106.1 Å²	106.1	69%	0.688	58%	0.583	S	S	*	*	H	α-helix	trans	-52.4	-32.7	-179.7	-26.5	33.4	0	0	0	113.9	K149 L150 V151	P147-K149 VanDerWaalsContact C-N 3.31Å; P147-K149 PolarHBondContact O-N 3.35Å; P147-L150 PolarHBondContact O-N 3.43Å; P147-V151 PolarHBondContact O-N 3.22Å
148	E	43.6	Very low	51.3	Low	155 Å²	155	105.6 Å²	105.6	72%	0.724	57%	0.567	S	S	*	*	H	α-helix	trans	-65.8	-29.4	178.9	-67.2	165.7	163	0	0	113	S146	S146-E148 PolarHBondContact O-N 2.91Å
149	K	39.9	Very low	54.6	Low	144 Å²	144	102.8 Å²	102.8	63%	0.626	56%	0.564	S	S	*	*	H	α-helix	trans	-76.4	-24.6	176.5	-85.5	-177.2	175.9	177.5	0	113.5	S146 P147	S146-K149 PolarHBondContact O-N 3.27Å; P147-K149 VanDerWaalsContact C-N 3.31Å; P147-K149 PolarHBondContact O-N 3.35Å
150	L	46.8	Very low	57.7	Low	97 Å²	97	100.2 Å²	100.2	51%	0.508	57%	0.568	S	S	.	*	H	α-helix	trans	-75.3	-35.4	176	-75.6	165.8	0	0	0	111.5	P147 N168	P147-L150 PolarHBondContact O-N 3.43Å; L150-N168 WeakPolarHBondContact O-CB 3.39Å
151	V	51.6	Low	61.1	Low	49 Å²	49	93 Å²	93	30%	0.297	53%	0.529	S	S	.	.	H	α-helix	trans	-66.9	-38.5	-179.9	178.9	0	0	0	0	112.2	P147 C153 N168 L178	P147-V151 PolarHBondContact O-N 3.22Å; V151-C153 VanDerWaalsContact C-N 3.3Å; V151-C153 PolarHBondContact O-N 3.1Å; V151-N168 PolarHBondContact O-ND2 3.01Å; V151-N168 VanDerWaalsContact O-ND2 3.1Å; V151-L178 HydrophobicContact CG1-CD2 3.85Å
152	A	58.1	Low	64.4	Low	67 Å²	67	87.1 Å²	87.1	55%	0.554	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-10.1	-172.7	0	0	0	0	0	115.6
153	C	77.9	Confident	67.5	Low	107 Å²	107	78.5 Å²	78.5	72%	0.723	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	18.2	-170.5	-159	0	0	0	0	114.3	V151 D155	V151-C153 VanDerWaalsContact C-N 3.3Å; V151-C153 PolarHBondContact O-N 3.1Å; C153-D155 PolarHBondContact O-N 3.13Å
154	Y	93.9	Very high	70.7	Confident	13 Å²	13	75.7 Å²	75.7	5%	0.051	44%	0.438	C	S	.	.			trans	-74.5	117.6	-179.9	179.5	-111.1	0	0	0	111.9	P156 Y161 D166 N168 W169 S179 R182 F203	Y154-P156 HydrophobicContact CE1-CB 4.28Å; Y154-P156 HydrophobicContact CE1-CG 3.85Å; Y154-P156 WeakPolarHBondContact OH-CB 3.34Å; Y154-Y161 HydrophobicContact CE2-CE2 4.21Å; Y154-Y161 WeakPolarHBondContact CE2-OH 3.28Å; Y154-D166 VanDerWaalsContact CD2-O 3.24Å; Y154-D166 WeakPolarHBondContact CD2-O 3.39Å; Y154-N168 WeakPolarHBondContact CB-ND2 3.47Å; Y154-W169 HydrophobicContact CE2-CZ3 4.27Å; Y154-S179 VanDerWaalsContact CE1-O 3.24Å; Y154-S179 WeakPolarHBondContact CE1-O 3.25Å; Y154-R182 HydrophobicContact CD1-CB 4.07Å; Y154-F203 WeakPolarHBondContact OH-CD2 3.28Å
155	D	96.1	Very high	73.9	Confident	63 Å²	63	76.6 Å²	76.6	34%	0.337	43%	0.43	S	S	.	.			trans	-134.5	101.3	175.8	179.3	9.9	0	0	0	110.8	C153 S157 K158	C153-D155 PolarHBondContact O-N 3.13Å; D155-S157 PolarHBondContact O-N 2.68Å; D155-S157 WeakPolarHBondContact OD1-CA 3.4Å; D155-S157 VanDerWaalsContact OD1-CB 3.26Å; D155-S157 WeakPolarHBondContact OD1-CB 3.34Å; D155-S157 PolarHBondContact OD1-N 3.23Å; D155-S157 PolarHBondContact OD1-OG 2.97Å; D155-S157 PolarHBondContact OD2-OG 3.09Å; D155-K158 WeakPolarHBondContact O-CB 3.34Å; D155-K158 PolarHBondContact O-N 2.66Å
156	P	96.7	Very high	77.2	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-8.8	176.6	25.6	-29.2	0	0	0	114.1	Y154 T183 I199 N202	Y154-P156 HydrophobicContact CE1-CB 4.28Å; Y154-P156 HydrophobicContact CE1-CG 3.85Å; Y154-P156 WeakPolarHBondContact OH-CB 3.34Å; P156-T183 HydrophobicContact CG-CG2 4.25Å; P156-I199 HydrophobicContact CB-CG2 4.07Å; P156-I199 HydrophobicContact CG-CG2 3.93Å; P156-N202 PolarHBondContact O-ND2 3.33Å
157	S	96.4	Very high	80.2	Confident	35 Å²	35	66.8 Å²	66.8	25%	0.245	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-8.8	177.8	80.3	0	0	0	0	113.7	D155 A159 K195	D155-S157 PolarHBondContact O-N 2.68Å; D155-S157 WeakPolarHBondContact OD1-CA 3.4Å; D155-S157 VanDerWaalsContact OD1-CB 3.26Å; D155-S157 WeakPolarHBondContact OD1-CB 3.34Å; D155-S157 PolarHBondContact OD1-N 3.23Å; D155-S157 PolarHBondContact OD1-OG 2.97Å; D155-S157 PolarHBondContact OD2-OG 3.09Å; S157-A159 PolarHBondContact O-N 2.85Å; S157-K195 PolarHBondContact O-NZ 3.44Å
158	K	95.5	Very high	82.8	Confident	93 Å²	93	62.6 Å²	62.6	40%	0.404	36%	0.361	S	S	.	.			trans	-52.6	130.7	-179.2	-176.1	-172.9	170.7	-160.4	0	111.8	D155 G160 Y161 D166	D155-K158 WeakPolarHBondContact O-CB 3.34Å; D155-K158 PolarHBondContact O-N 2.66Å; K158-G160 PolarHBondContact O-N 3.26Å; K158-Y161 WeakPolarHBondContact O-CB 3.31Å; K158-Y161 PolarHBondContact O-N 2.85Å; K158-D166 IonicContact NZ-OD1 3.36Å; K158-D166 PolarHBondContact NZ-OD1 2.89Å; K158-D166 IonicContact NZ-OD2 3.62Å; K158-D166 PolarHBondContact NZ-OD2 3.35Å
159	A	92.7	Very high	85.3	Confident	84 Å²	84	55.9 Å²	55.9	69%	0.694	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	134.2	172.7	0	0	0	0	0	110.9	S157 Y161	S157-A159 PolarHBondContact O-N 2.85Å; A159-Y161 VanDerWaalsContact C-N 3.35Å
160	G	91.7	Very high	87.9	Confident	77 Å²	77	57.4 Å²	57.4	79%	0.794	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	29	-177.9	0	0	0	0	0	114	K158 H162	K158-G160 PolarHBondContact O-N 3.26Å; G160-H162 PolarHBondContact O-N 3.43Å
161	Y	96.4	Very high	90.1	Very high	9 Å²	9	58.1 Å²	58.1	4%	0.035	33%	0.332	C	S	.	.			trans	-49.5	125.9	-178.4	-176.5	-92.1	0	0	0	113.7	Y154 K158 A159 P163 D166 N202 R205 S206	Y154-Y161 HydrophobicContact CE2-CE2 4.21Å; Y154-Y161 WeakPolarHBondContact CE2-OH 3.28Å; K158-Y161 WeakPolarHBondContact O-CB 3.31Å; K158-Y161 PolarHBondContact O-N 2.85Å; A159-Y161 VanDerWaalsContact C-N 3.35Å; Y161-P163 HydrophobicContact CE1-CB 4.32Å; Y161-D166 HydrophobicContact CD2-CB 3.62Å; Y161-D166 HydrophobicContact CE2-CB 3.39Å; Y161-D166 HydrophobicContact CG-CB 4.38Å; Y161-N202 WeakPolarHBondContact CB-ND2 3.28Å; Y161-N202 HydrophobicContact CD1-CB 3.42Å; Y161-N202 VanDerWaalsContact CD1-CB 3.42Å; Y161-N202 VanDerWaalsContact CD1-CG 3.5Å; Y161-N202 HydrophobicContact CD2-CB 4.31Å; Y161-N202 HydrophobicContact CE1-CB 3.78Å; Y161-N202 VanDerWaalsContact CE1-O 3.27Å; Y161-N202 WeakPolarHBondContact CE1-O 3.46Å; Y161-N202 HydrophobicContact CG-CB 3.73Å; Y161-R205 PolarHBondContact O-NH1 3.06Å; Y161-R205 VanDerWaalsContact O-NH1 3.15Å; Y161-S206 VanDerWaalsContact CE1-OG 3.29Å; Y161-S206 WeakPolarHBondContact CE1-OG 3.49Å; Y161-S206 PolarHBondContact OH-OG 3.45Å
162	H	95.9	Very high	92.2	Very high	60 Å²	60	58.4 Å²	58.4	28%	0.278	35%	0.345	S	S	.	.			trans	-105.4	118.8	176.1	-168.5	-77.5	0	0	0	111.7	G160 I164 H165 D166	G160-H162 PolarHBondContact O-N 3.43Å; H162-I164 VanDerWaalsContact C-N 3.26Å; H162-I164 PolarHBondContact ND1-N 3.42Å; H162-I164 PolarHBondContact O-N 2.91Å; H162-I164 VanDerWaalsContact O-N 3.1Å; H162-H165 HydrophobicContact CB-CB 4.16Å; H162-H165 AromaticContact CE1-CD2 3.39Å; H162-H165 PolarHBondContact CE1-CD2 2.95Å; H162-H165 AromaticContact CE1-NE2 3.76Å; H162-H165 AromaticContact CG-CD2 3.71Å; H162-H165 AromaticContact ND1-CD2 3.29Å; H162-H165 PolarHBondContact ND1-CD2 3.5Å; H162-H165 VanDerWaalsContact ND1-CD2 3.29Å; H162-H165 AromaticContact ND1-CG 3.58Å; H162-H165 PolarHBondContact ND1-N 3.38Å; H162-H165 AromaticContact NE2-CD2 3.86Å; H162-H165 PolarHBondContact O-N 3.02Å; H162-H165 VanDerWaalsContact O-N 3.12Å; H162-D166 PolarHBondContact N-OD2 3.06Å; H162-D166 WeakPolarHBondContact O-CB 3.39Å; H162-D166 PolarHBondContact O-N 3.22Å
163	P	95.3	Very high	94	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-22.2	-168	26	-35.3	0	0	0	115	Y161 R205 S206 L209 I372	Y161-P163 HydrophobicContact CE1-CB 4.32Å; P163-R205 HydrophobicContact CB-CB 3.89Å; P163-R205 VanDerWaalsContact CD-NH2 3.35Å; P163-R205 HydrophobicContact CG-CB 4.46Å; P163-S206 VanDerWaalsContact CA-OG 3.25Å; P163-S206 WeakPolarHBondContact CA-OG 3.4Å; P163-S206 WeakPolarHBondContact O-CB 3.41Å; P163-S206 PolarHBondContact O-OG 3.33Å; P163-L209 HydrophobicContact CB-CD2 4.45Å; P163-L209 HydrophobicContact CG-CD2 4.32Å; P163-I372 HydrophobicContact CG-CG2 3.65Å
164	I	94.2	Very high	95	Very high	68 Å²	68	56 Å²	56	35%	0.349	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-36.7	174.7	-52.7	178.6	0	0	0	112.2	H162 C167 L209 L210 I372	H162-I164 VanDerWaalsContact C-N 3.26Å; H162-I164 PolarHBondContact ND1-N 3.42Å; H162-I164 PolarHBondContact O-N 2.91Å; H162-I164 VanDerWaalsContact O-N 3.1Å; I164-C167 PolarHBondContact O-SG 3.37Å; I164-L209 HydrophobicContact CD1-CD2 3.88Å; I164-L209 HydrophobicContact CG1-CD2 3.45Å; I164-L209 VanDerWaalsContact CG1-CD2 3.45Å; I164-L210 HydrophobicContact CG1-CD2 4.43Å; I164-I372 HydrophobicContact CD1-CD1 3.81Å; I164-I372 HydrophobicContact CD1-CG1 4.4Å; I164-I372 HydrophobicContact CG1-CD1 4.48Å
165	H	93.9	Very high	95.2	Very high	128 Å²	128	55.4 Å²	55.4	59%	0.593	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-26.9	-166	-65.4	-39.4	0	0	0	112.9	H162	H162-H165 HydrophobicContact CB-CB 4.16Å; H162-H165 AromaticContact CE1-CD2 3.39Å; H162-H165 PolarHBondContact CE1-CD2 2.95Å; H162-H165 AromaticContact CE1-NE2 3.76Å; H162-H165 AromaticContact CG-CD2 3.71Å; H162-H165 AromaticContact ND1-CD2 3.29Å; H162-H165 PolarHBondContact ND1-CD2 3.5Å; H162-H165 VanDerWaalsContact ND1-CD2 3.29Å; H162-H165 AromaticContact ND1-CG 3.58Å; H162-H165 PolarHBondContact ND1-N 3.38Å; H162-H165 AromaticContact NE2-CD2 3.86Å; H162-H165 PolarHBondContact O-N 3.02Å; H162-H165 VanDerWaalsContact O-N 3.12Å
166	D	95.8	Very high	95.3	Very high	32 Å²	32	53.4 Å²	53.4	17%	0.171	30%	0.303	C	S	.	.	S	Bend	trans	-98.9	3.8	178.3	-64.7	-36.4	0	0	0	112.2	Y154 K158 Y161 H162	Y154-D166 VanDerWaalsContact CD2-O 3.24Å; Y154-D166 WeakPolarHBondContact CD2-O 3.39Å; K158-D166 IonicContact NZ-OD1 3.36Å; K158-D166 PolarHBondContact NZ-OD1 2.89Å; K158-D166 IonicContact NZ-OD2 3.62Å; K158-D166 PolarHBondContact NZ-OD2 3.35Å; Y161-D166 HydrophobicContact CD2-CB 3.62Å; Y161-D166 HydrophobicContact CE2-CB 3.39Å; Y161-D166 HydrophobicContact CG-CB 4.38Å; H162-D166 PolarHBondContact N-OD2 3.06Å; H162-D166 WeakPolarHBondContact O-CB 3.39Å; H162-D166 PolarHBondContact O-N 3.22Å
167	C	93.7	Very high	95.3	Very high	16 Å²	16	53.4 Å²	53.4	11%	0.108	30%	0.303	C	S	.	.			trans	-84.3	162.2	165.9	81.7	0	0	0	0	110.7	I164 W169 L210	I164-C167 PolarHBondContact O-SG 3.37Å; C167-W169 HydrophobicContact CB-CD2 4.34Å; C167-W169 HydrophobicContact CB-CE3 4.14Å; C167-W169 HydrophobicContact CB-CH2 4.16Å; C167-W169 HydrophobicContact CB-CZ2 4.37Å; C167-W169 HydrophobicContact CB-CZ3 4.03Å; C167-W169 PolarHBondContact SG-O 3.24Å; C167-L210 HydrophobicContact CB-CD1 4.14Å; C167-L210 WeakPolarHBondContact SG-CD1 3.48Å
168	N	93.7	Very high	95.4	Very high	18 Å²	18	52.1 Å²	52.1	10%	0.096	29%	0.293	C	S	.	.	S	Bend	trans	-117.1	24.7	-178.8	63.5	-19.7	0	0	0	113.4	L150 V151 Y154 S179	L150-N168 WeakPolarHBondContact O-CB 3.39Å; V151-N168 PolarHBondContact O-ND2 3.01Å; V151-N168 VanDerWaalsContact O-ND2 3.1Å; Y154-N168 WeakPolarHBondContact CB-ND2 3.47Å; N168-S179 VanDerWaalsContact CG-OG 3.29Å; N168-S179 PolarHBondContact ND2-OG 2.94Å; N168-S179 VanDerWaalsContact ND2-OG 3.12Å; N168-S179 PolarHBondContact OD1-OG 3.35Å
169	W	95.6	Very high	95.5	Very high	13 Å²	13	47.7 Å²	47.7	5%	0.049	27%	0.274	C	S	.	.	S	Bend	trans	-140.2	164.7	173.6	65.9	95.8	0	0	0	111.1	Y154 C167 V175 P176 F203 V207 S211	Y154-W169 HydrophobicContact CE2-CZ3 4.27Å; C167-W169 HydrophobicContact CB-CD2 4.34Å; C167-W169 HydrophobicContact CB-CE3 4.14Å; C167-W169 HydrophobicContact CB-CH2 4.16Å; C167-W169 HydrophobicContact CB-CZ2 4.37Å; C167-W169 HydrophobicContact CB-CZ3 4.03Å; C167-W169 PolarHBondContact SG-O 3.24Å; W169-V175 HydrophobicContact CD2-CG1 4.44Å; W169-V175 HydrophobicContact CE3-CG1 4.33Å; W169-V175 HydrophobicContact CH2-CG1 4.01Å; W169-V175 HydrophobicContact CZ2-CG1 4.08Å; W169-V175 HydrophobicContact CZ2-CG2 4.06Å; W169-V175 HydrophobicContact CZ3-CG1 4.14Å; W169-P176 HydrophobicContact CB-CG 4.08Å; W169-P176 HydrophobicContact CE3-CG 4.46Å; W169-F203 HydrophobicContact CH2-CE2 4.43Å; W169-V207 HydrophobicContact CH2-CG2 4.33Å; W169-V207 HydrophobicContact CZ2-CG2 4.01Å; W169-S211 VanDerWaalsContact CD1-OG 3.26Å; W169-S211 PolarHBondContact NE1-OG 3.43Å
170	R	94.2	Very high	95.8	Very high	177 Å²	177	43.7 Å²	43.7	67%	0.668	24%	0.24	S	C	*	.			trans	-95.6	160.3	-180	-58.3	178.9	-178.7	-95.3	0.2	111.9	G172 E173	R170-G172 PolarHBondContact O-N 2.83Å; R170-E173 HydrophobicContact CB-CG 4.07Å; R170-E173 PolarHBondContact N-OE2 3.21Å; R170-E173 WeakPolarHBondContact O-CB 3.43Å; R170-E173 PolarHBondContact O-N 3.46Å; R170-E173 VanDerWaalsContact O-N 3.1Å
171	E	93.6	Very high	96.1	Very high	112 Å²	112	40 Å²	40	52%	0.523	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	134	170.2	-174.7	170.2	180	0	0	110.7	E173 L210 R370	E171-E173 VanDerWaalsContact C-N 3.26Å; E171-E173 PolarHBondContact O-N 2.88Å; E171-L210 WeakPolarHBondContact CA-O 3.29Å; E171-L210 HydrophobicContact CB-CD2 3.96Å; E171-L210 HydrophobicContact CG-CD2 4.49Å; E171-R370 VanDerWaalsContact CD-NH1 3.26Å; E171-R370 IonicContact OE1-CZ 2.73Å; E171-R370 VanDerWaalsContact OE1-CZ 3.24Å; E171-R370 IonicContact OE1-NH1 2.83Å; E171-R370 PolarHBondContact OE1-NH1 2.85Å; E171-R370 IonicContact OE1-NH2 3.37Å; E171-R370 PolarHBondContact OE1-NH2 3.35Å; E171-R370 IonicContact OE2-NH1 2.81Å; E171-R370 PolarHBondContact OE2-NH1 3.43Å
172	G	94	Very high	96.1	Very high	55 Å²	55	43 Å²	43	57%	0.567	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.7	-12.7	-177.1	0	0	0	0	0	114.8	R170 L210	R170-G172 PolarHBondContact O-N 2.83Å; G172-L210 PolarHBondContact N-O 3.45Å
173	E	96.6	Very high	96.2	Very high	94 Å²	94	40.2 Å²	40.2	44%	0.439	20%	0.201	S	C	.	.	S	Bend	trans	-80.6	149.1	174	-65	179.7	164	0	0	111.2	R170 E171 S211 F213	R170-E173 HydrophobicContact CB-CG 4.07Å; R170-E173 PolarHBondContact N-OE2 3.21Å; R170-E173 WeakPolarHBondContact O-CB 3.43Å; R170-E173 PolarHBondContact O-N 3.46Å; R170-E173 VanDerWaalsContact O-N 3.1Å; E171-E173 VanDerWaalsContact C-N 3.26Å; E171-E173 PolarHBondContact O-N 2.88Å; E173-S211 WeakPolarHBondContact O-CB 3.39Å; E173-S211 PolarHBondContact O-OG 2.95Å; E173-F213 WeakPolarHBondContact O-CZ 3.47Å
174	S	98.2	Very high	96.4	Very high	29 Å²	29	40.2 Å²	40.2	20%	0.203	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-69.9	138.5	170.4	-179.3	0	0	0	0	109.9	D214 T288 S290	S174-D214 WeakPolarHBondContact CA-OD2 3.25Å; S174-D214 VanDerWaalsContact CB-OD2 3.29Å; S174-D214 WeakPolarHBondContact CB-OD2 3.22Å; S174-D214 PolarHBondContact OG-OD2 3.25Å; S174-T288 WeakPolarHBondContact OG-CB 3.26Å; S174-T288 PolarHBondContact OG-OG1 3.12Å; S174-S290 WeakPolarHBondContact OG-CB 3.21Å; S174-S290 PolarHBondContact OG-N 2.9Å; S174-S290 PolarHBondContact OG-OG 3.39Å
175	V	98.4	Very high	96.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-60.4	127.7	-177.1	-178.3	0	0	0	0	109.2	W169 Y177 F203 V207 D214 T288 I289	W169-V175 HydrophobicContact CD2-CG1 4.44Å; W169-V175 HydrophobicContact CE3-CG1 4.33Å; W169-V175 HydrophobicContact CH2-CG1 4.01Å; W169-V175 HydrophobicContact CZ2-CG1 4.08Å; W169-V175 HydrophobicContact CZ2-CG2 4.06Å; W169-V175 HydrophobicContact CZ3-CG1 4.14Å; V175-Y177 PolarHBondContact O-N 2.97Å; V175-F203 HydrophobicContact CG1-CE2 4.15Å; V175-F203 HydrophobicContact CG1-CZ 4.44Å; V175-V207 HydrophobicContact CG1-CG2 4.43Å; V175-V207 HydrophobicContact CG2-CB 4.5Å; V175-V207 HydrophobicContact CG2-CG1 4.07Å; V175-V207 HydrophobicContact CG2-CG2 3.95Å; V175-D214 HydrophobicContact CG2-CB 3.92Å; V175-D214 PolarHBondContact N-OD2 2.86Å; V175-T288 CarbonylContact O-C 3.53Å; V175-T288 WeakPolarHBondContact O-CA 3.47Å; V175-I289 HydrophobicContact CB-CB 4.26Å; V175-I289 HydrophobicContact CB-CG1 3.68Å; V175-I289 HydrophobicContact CG1-CG1 3.93Å; V175-I289 WeakPolarHBondContact O-CG1 3.22Å; V175-I289 PolarHBondContact O-N 3.13Å
176	P	98.2	Very high	96.7	Very high	21 Å²	21	35 Å²	35	14%	0.136	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-59.7	132.8	172.8	-22	32.3	0	0	0	110.5	W169 L178 S179	W169-P176 HydrophobicContact CB-CG 4.08Å; W169-P176 HydrophobicContact CE3-CG 4.46Å; P176-L178 PolarHBondContact O-N 2.82Å; P176-S179 WeakPolarHBondContact O-CB 3.29Å; P176-S179 PolarHBondContact O-N 3.13Å
177	Y	98.3	Very high	96.8	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	17%	0.17	C	C	.	.	H	α-helix	trans	-63.1	-32.4	179.2	-177.7	-97.8	0	0	0	111.4	V175 S179 L180 A181 L221 L287 I289 V292 E326 I330	V175-Y177 PolarHBondContact O-N 2.97Å; Y177-S179 PolarHBondContact O-N 3.07Å; Y177-L180 HydrophobicContact CD2-CD2 4.47Å; Y177-L180 HydrophobicContact CE2-CD2 4.22Å; Y177-L180 PolarHBondContact O-N 3.14Å; Y177-L180 VanDerWaalsContact O-N 3.12Å; Y177-A181 HydrophobicContact CE1-CB 4.5Å; Y177-A181 PolarHBondContact O-N 3.33Å; Y177-L221 HydrophobicContact CE2-CD1 4.48Å; Y177-L287 HydrophobicContact CD1-CD1 4.48Å; Y177-L287 HydrophobicContact CG-CB 4.49Å; Y177-L287 PolarHBondContact N-O 3.29Å; Y177-I289 HydrophobicContact CD2-CD1 3.99Å; Y177-V292 HydrophobicContact CD2-CB 3.97Å; Y177-V292 HydrophobicContact CD2-CG1 3.89Å; Y177-V292 HydrophobicContact CD2-CG2 3.87Å; Y177-V292 HydrophobicContact CE2-CB 4.38Å; Y177-V292 HydrophobicContact CE2-CG1 3.77Å; Y177-V292 HydrophobicContact CE2-CG2 4.5Å; Y177-V292 HydrophobicContact CG-CB 4.49Å; Y177-V292 HydrophobicContact CG-CG2 3.88Å; Y177-E326 HydrophobicContact CD1-CB 3.92Å; Y177-E326 HydrophobicContact CD1-CG 3.69Å; Y177-E326 HydrophobicContact CE1-CB 4Å; Y177-E326 HydrophobicContact CE1-CG 4.19Å; Y177-I330 HydrophobicContact CD1-CD1 4.3Å; Y177-I330 HydrophobicContact CD1-CG1 4.37Å; Y177-I330 HydrophobicContact CE1-CD1 3.92Å; Y177-I330 HydrophobicContact CE1-CG1 3.51Å; Y177-I330 PolarHBondContact OH-N 2.9Å
178	L	97.3	Very high	97	Very high	7 Å²	7	35.8 Å²	35.8	4%	0.037	18%	0.179	C	C	.	.	H	α-helix	trans	-55.2	-35	172.2	-176.8	58.9	0	0	0	112.7	V151 P176 A181 R182 E324 E326	V151-L178 HydrophobicContact CG1-CD2 3.85Å; P176-L178 PolarHBondContact O-N 2.82Å; L178-A181 PolarHBondContact O-N 3.34Å; L178-R182 HydrophobicContact CD1-CG 4.37Å; L178-R182 WeakPolarHBondContact O-CG 3.41Å; L178-R182 PolarHBondContact O-N 3.38Å; L178-E324 HydrophobicContact CD1-CB 4.03Å; L178-E326 WeakPolarHBondContact CA-OE1 3.3Å; L178-E326 HydrophobicContact CB-CG 4.02Å; L178-E326 WeakPolarHBondContact CB-OE1 3.27Å; L178-E326 HydrophobicContact CD1-CG 3.87Å; L178-E326 PolarHBondContact N-OE1 2.79Å
179	S	98.2	Very high	97.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.3	-45	177.6	-50.4	0	0	0	0	110.8	Y154 N168 P176 Y177 R182 T183	Y154-S179 VanDerWaalsContact CE1-O 3.24Å; Y154-S179 WeakPolarHBondContact CE1-O 3.25Å; N168-S179 VanDerWaalsContact CG-OG 3.29Å; N168-S179 PolarHBondContact ND2-OG 2.94Å; N168-S179 VanDerWaalsContact ND2-OG 3.12Å; N168-S179 PolarHBondContact OD1-OG 3.35Å; P176-S179 WeakPolarHBondContact O-CB 3.29Å; P176-S179 PolarHBondContact O-N 3.13Å; Y177-S179 PolarHBondContact O-N 3.07Å; S179-R182 PolarHBondContact O-N 2.89Å; S179-T183 PolarHBondContact O-N 3.38Å; S179-T183 PolarHBondContact O-OG1 3.37Å
180	L	98.4	Very high	97.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.6	-40.9	172.6	178.7	66.2	0	0	0	112.1	Y177 R182 T183 F184 F203 L221 I289	Y177-L180 HydrophobicContact CD2-CD2 4.47Å; Y177-L180 HydrophobicContact CE2-CD2 4.22Å; Y177-L180 PolarHBondContact O-N 3.14Å; Y177-L180 VanDerWaalsContact O-N 3.12Å; L180-R182 VanDerWaalsContact C-N 3.32Å; L180-R182 PolarHBondContact O-N 3.29Å; L180-T183 WeakPolarHBondContact O-CB 3.29Å; L180-T183 PolarHBondContact O-N 2.91Å; L180-F184 HydrophobicContact CD1-CD1 4.16Å; L180-F184 HydrophobicContact CD1-CE1 3.52Å; L180-F184 HydrophobicContact CD1-CE2 4.17Å; L180-F184 HydrophobicContact CD1-CZ 3.53Å; L180-F184 HydrophobicContact CD2-CE2 3.88Å; L180-F184 HydrophobicContact CD2-CZ 3.71Å; L180-F184 HydrophobicContact CG-CD2 4.25Å; L180-F184 HydrophobicContact CG-CE1 4Å; L180-F184 HydrophobicContact CG-CE2 3.7Å; L180-F184 HydrophobicContact CG-CZ 3.56Å; L180-F184 WeakPolarHBondContact O-CG 3.32Å; L180-F184 PolarHBondContact O-N 3.35Å; L180-F203 HydrophobicContact CB-CE2 4.4Å; L180-F203 HydrophobicContact CB-CZ 4.06Å; L180-F203 HydrophobicContact CD1-CD1 4.43Å; L180-F203 HydrophobicContact CD1-CE1 3.61Å; L180-F203 HydrophobicContact CD1-CE2 4.44Å; L180-F203 HydrophobicContact CD1-CZ 3.63Å; L180-F203 HydrophobicContact CG-CZ 4.41Å; L180-L221 HydrophobicContact CD2-CB 3.7Å; L180-L221 HydrophobicContact CD2-CD1 3.78Å; L180-L221 HydrophobicContact CD2-CG 4.37Å; L180-I289 HydrophobicContact CB-CD1 3.86Å; L180-I289 HydrophobicContact CD2-CD1 3.42Å; L180-I289 VanDerWaalsContact CD2-CD1 3.42Å; L180-I289 HydrophobicContact CG-CD1 4.25Å
181	A	98.1	Very high	97.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.4	-40.2	176.5	0	0	0	0	0	112.1	Y177 L178 F184 E185 E326 Y329	Y177-A181 HydrophobicContact CE1-CB 4.5Å; Y177-A181 PolarHBondContact O-N 3.33Å; L178-A181 PolarHBondContact O-N 3.34Å; A181-F184 WeakPolarHBondContact O-CB 3.39Å; A181-F184 PolarHBondContact O-N 2.85Å; A181-E185 PolarHBondContact O-N 3.34Å; A181-E326 HydrophobicContact CB-CG 4.15Å; A181-Y329 HydrophobicContact CB-CD2 3.8Å; A181-Y329 HydrophobicContact CB-CE2 4.43Å; A181-Y329 WeakPolarHBondContact O-CE2 3.44Å
182	R	97.3	Very high	97.1	Very high	73 Å²	73	34.1 Å²	34.1	28%	0.275	22%	0.219	S	C	.	.	H	α-helix	trans	-67.3	-39.5	172.8	-71.1	-62.7	-174	169.8	7.1	112.1	Y154 L178 S179 L180 F184 E185 C186 E324	Y154-R182 HydrophobicContact CD1-CB 4.07Å; L178-R182 HydrophobicContact CD1-CG 4.37Å; L178-R182 WeakPolarHBondContact O-CG 3.41Å; L178-R182 PolarHBondContact O-N 3.38Å; S179-R182 PolarHBondContact O-N 2.89Å; L180-R182 VanDerWaalsContact C-N 3.32Å; L180-R182 PolarHBondContact O-N 3.29Å; R182-F184 VanDerWaalsContact C-N 3.29Å; R182-F184 PolarHBondContact O-N 2.86Å; R182-E185 VanDerWaalsContact CD-OE2 3.28Å; R182-E185 WeakPolarHBondContact CD-OE2 3.49Å; R182-E185 IonicContact CZ-OE2 3.29Å; R182-E185 IonicContact NE-OE2 3.56Å; R182-E185 IonicContact NH1-OE1 3.22Å; R182-E185 IonicContact NH1-OE2 2.63Å; R182-E185 PolarHBondContact NH1-OE2 3.33Å; R182-E185 PolarHBondContact O-N 2.91Å; R182-C186 PolarHBondContact O-N 3.12Å; R182-C186 PolarHBondContact O-SG 3.1Å; R182-C186 VanDerWaalsContact O-SG 3.32Å; R182-E324 IonicContact CZ-OE2 3.14Å; R182-E324 VanDerWaalsContact CZ-OE2 3.29Å; R182-E324 IonicContact NE-OE2 2.67Å; R182-E324 PolarHBondContact NE-OE2 3.19Å; R182-E324 IonicContact NH2-OE2 3.19Å; R182-E324 PolarHBondContact NH2-OE2 3.11Å
183	T	98.4	Very high	97.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-56.6	-44.6	170.6	-51.9	0	0	0	0	111.4	P156 S179 L180 E185 C186 I187 I199 L200 F203	P156-T183 HydrophobicContact CG-CG2 4.25Å; S179-T183 PolarHBondContact O-N 3.38Å; S179-T183 PolarHBondContact O-OG1 3.37Å; L180-T183 WeakPolarHBondContact O-CB 3.29Å; L180-T183 PolarHBondContact O-N 2.91Å; T183-E185 PolarHBondContact O-N 3.3Å; T183-C186 PolarHBondContact O-N 3.29Å; T183-I187 HydrophobicContact CG2-CD1 4.05Å; T183-I187 VanDerWaalsContact O-CG1 3.27Å; T183-I187 WeakPolarHBondContact O-CG1 3.33Å; T183-I187 PolarHBondContact O-N 3.12Å; T183-I199 HydrophobicContact CG2-CG2 3.99Å; T183-L200 HydrophobicContact CG2-CD1 4.38Å; T183-F203 HydrophobicContact CG2-CB 3.89Å; T183-F203 HydrophobicContact CG2-CD1 4.43Å; T183-F203 HydrophobicContact CG2-CG 4.08Å; T183-F203 WeakPolarHBondContact OG1-CD2 3.48Å
184	F	98.5	Very high	97.2	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.9	-38.3	176.5	-68.8	-17.8	0	0	0	113.3	L180 A181 R182 I187 E188 C222 Y329 L338 I340	L180-F184 HydrophobicContact CD1-CD1 4.16Å; L180-F184 HydrophobicContact CD1-CE1 3.52Å; L180-F184 HydrophobicContact CD1-CE2 4.17Å; L180-F184 HydrophobicContact CD1-CZ 3.53Å; L180-F184 HydrophobicContact CD2-CE2 3.88Å; L180-F184 HydrophobicContact CD2-CZ 3.71Å; L180-F184 HydrophobicContact CG-CD2 4.25Å; L180-F184 HydrophobicContact CG-CE1 4Å; L180-F184 HydrophobicContact CG-CE2 3.7Å; L180-F184 HydrophobicContact CG-CZ 3.56Å; L180-F184 WeakPolarHBondContact O-CG 3.32Å; L180-F184 PolarHBondContact O-N 3.35Å; A181-F184 WeakPolarHBondContact O-CB 3.39Å; A181-F184 PolarHBondContact O-N 2.85Å; R182-F184 VanDerWaalsContact C-N 3.29Å; R182-F184 PolarHBondContact O-N 2.86Å; F184-I187 PolarHBondContact O-N 3.11Å; F184-E188 VanDerWaalsContact O-CB 3.3Å; F184-E188 WeakPolarHBondContact O-CB 3.27Å; F184-E188 PolarHBondContact O-N 3.35Å; F184-C222 HydrophobicContact CE1-CB 4.35Å; F184-Y329 HydrophobicContact CB-CD1 3.83Å; F184-Y329 HydrophobicContact CB-CD2 4.09Å; F184-Y329 HydrophobicContact CB-CE1 3.55Å; F184-Y329 HydrophobicContact CB-CE2 3.8Å; F184-Y329 HydrophobicContact CB-CG 4.11Å; F184-Y329 AromaticContact CD2-CD1 3.74Å; F184-Y329 HydrophobicContact CD2-CD1 3.74Å; F184-Y329 HydrophobicContact CD2-CD2 4.23Å; F184-Y329 HydrophobicContact CD2-CE1 4.35Å; F184-Y329 AromaticContact CD2-CG 3.69Å; F184-Y329 HydrophobicContact CD2-CG 3.69Å; F184-Y329 HydrophobicContact CG-CD1 4.21Å; F184-Y329 HydrophobicContact CG-CE1 4.37Å; F184-Y329 HydrophobicContact CG-CG 4.41Å; F184-L338 HydrophobicContact CD1-CD2 4.41Å; F184-L338 HydrophobicContact CD2-CD1 4.19Å; F184-L338 HydrophobicContact CD2-CD2 4.26Å; F184-L338 HydrophobicContact CE1-CD2 3.99Å; F184-L338 HydrophobicContact CE2-CD1 3.99Å; F184-L338 HydrophobicContact CE2-CD2 3.83Å; F184-L338 HydrophobicContact CE2-CG 4.45Å; F184-L338 HydrophobicContact CZ-CD2 3.68Å; F184-I340 HydrophobicContact CB-CG2 4.11Å; F184-I340 HydrophobicContact CD1-CD1 3.58Å; F184-I340 HydrophobicContact CE1-CD1 3.94Å; F184-I340 HydrophobicContact CG-CD1 4.15Å
185	E	97.2	Very high	97.2	Very high	61 Å²	61	44.7 Å²	44.7	29%	0.285	25%	0.245	S	C	.	.	H	α-helix	trans	-65	-45.6	176.2	-172.3	177.5	-139.1	0	0	112	A181 R182 T183 I187 E188 A189 Y329	A181-E185 PolarHBondContact O-N 3.34Å; R182-E185 VanDerWaalsContact CD-OE2 3.28Å; R182-E185 WeakPolarHBondContact CD-OE2 3.49Å; R182-E185 IonicContact CZ-OE2 3.29Å; R182-E185 IonicContact NE-OE2 3.56Å; R182-E185 IonicContact NH1-OE1 3.22Å; R182-E185 IonicContact NH1-OE2 2.63Å; R182-E185 PolarHBondContact NH1-OE2 3.33Å; R182-E185 PolarHBondContact O-N 2.91Å; T183-E185 PolarHBondContact O-N 3.3Å; E185-I187 VanDerWaalsContact C-N 3.31Å; E185-I187 PolarHBondContact O-N 3.47Å; E185-E188 PolarHBondContact O-N 3.14Å; E185-A189 WeakPolarHBondContact O-CB 3.47Å; E185-A189 PolarHBondContact O-N 3.4Å; E185-Y329 WeakPolarHBondContact CA-OH 3.42Å; E185-Y329 HydrophobicContact CB-CE2 4.34Å; E185-Y329 PolarHBondContact N-OH 3.25Å
186	C	97.8	Very high	97.2	Very high	25 Å²	25	45.3 Å²	45.3	17%	0.169	25%	0.248	C	C	.	.	H	α-helix	trans	-59.5	-42.2	173.7	-65.2	0	0	0	0	111.6	R182 T183 T190 I199	R182-C186 PolarHBondContact O-N 3.12Å; R182-C186 PolarHBondContact O-SG 3.1Å; R182-C186 VanDerWaalsContact O-SG 3.32Å; T183-C186 PolarHBondContact O-N 3.29Å; C186-T190 WeakPolarHBondContact O-CB 3.43Å; C186-T190 PolarHBondContact O-N 3.22Å; C186-T190 PolarHBondContact O-OG1 3Å; C186-I199 HydrophobicContact CB-CD1 4.04Å; C186-I199 HydrophobicContact CB-CG2 4Å
187	I	98.2	Very high	97.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.4	-47	177.5	-71	171.6	0	0	0	111	T183 F184 E185 A189 T190 I196 I199 L200 I340 L342	T183-I187 HydrophobicContact CG2-CD1 4.05Å; T183-I187 VanDerWaalsContact O-CG1 3.27Å; T183-I187 WeakPolarHBondContact O-CG1 3.33Å; T183-I187 PolarHBondContact O-N 3.12Å; F184-I187 PolarHBondContact O-N 3.11Å; E185-I187 VanDerWaalsContact C-N 3.31Å; E185-I187 PolarHBondContact O-N 3.47Å; I187-A189 VanDerWaalsContact C-N 3.27Å; I187-A189 PolarHBondContact O-N 2.63Å; I187-T190 PolarHBondContact O-N 3.48Å; I187-I196 HydrophobicContact CD1-CG2 4.48Å; I187-I196 HydrophobicContact CG1-CG2 4.16Å; I187-I196 HydrophobicContact CG2-CD1 4.47Å; I187-I196 HydrophobicContact CG2-CG1 4.29Å; I187-I196 HydrophobicContact CG2-CG2 3.83Å; I187-I199 HydrophobicContact CD1-CG2 4.46Å; I187-I199 HydrophobicContact CG1-CB 4.42Å; I187-I199 HydrophobicContact CG1-CG2 3.88Å; I187-L200 HydrophobicContact CD1-CB 4.3Å; I187-L200 HydrophobicContact CD1-CD1 4.43Å; I187-I340 HydrophobicContact CG2-CB 4.27Å; I187-I340 HydrophobicContact CG2-CD1 4.34Å; I187-I340 WeakPolarHBondContact CG2-O 3.23Å; I187-L342 HydrophobicContact CD1-CD2 4.33Å; I187-L342 HydrophobicContact CG2-CB 4.36Å
188	E	96.6	Very high	97.2	Very high	66 Å²	66	48 Å²	48	31%	0.308	26%	0.26	S	S	.	.	H	α-helix	trans	-62	-34.8	179.4	-176.7	175.3	171.5	0	0	112.5	F184 E185 T190 K328 Y329 R332 I340	F184-E188 VanDerWaalsContact O-CB 3.3Å; F184-E188 WeakPolarHBondContact O-CB 3.27Å; F184-E188 PolarHBondContact O-N 3.35Å; E185-E188 PolarHBondContact O-N 3.14Å; E188-T190 VanDerWaalsContact C-N 3.27Å; E188-T190 PolarHBondContact O-N 2.66Å; E188-K328 WeakPolarHBondContact OE1-CE 3.2Å; E188-K328 IonicContact OE1-NZ 2.67Å; E188-K328 PolarHBondContact OE1-NZ 3.49Å; E188-K328 WeakPolarHBondContact OE2-CE 3.25Å; E188-K328 IonicContact OE2-NZ 2.81Å; E188-K328 PolarHBondContact OE2-NZ 2.77Å; E188-Y329 PolarHBondContact OE2-OH 3.22Å; E188-R332 VanDerWaalsContact CD-NH1 3.28Å; E188-R332 IonicContact OE1-CZ 2.62Å; E188-R332 IonicContact OE1-NH1 3.74Å; E188-R332 PolarHBondContact OE1-NH1 2.92Å; E188-R332 IonicContact OE1-NH2 3.7Å; E188-R332 PolarHBondContact OE1-NH2 3.49Å; E188-R332 IonicContact OE2-CZ 3.79Å; E188-R332 IonicContact OE2-NH1 3.15Å; E188-R332 PolarHBondContact OE2-NH1 3.39Å; E188-R332 IonicContact OE2-NH2 2.89Å; E188-I340 HydrophobicContact CB-CB 4.45Å; E188-I340 HydrophobicContact CB-CG2 4.23Å
189	A	96.2	Very high	97.2	Very high	89 Å²	89	47.7 Å²	47.7	74%	0.736	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-10.8	175.6	0	0	0	0	0	113.8	E185 I187	E185-A189 WeakPolarHBondContact O-CB 3.47Å; E185-A189 PolarHBondContact O-N 3.4Å; I187-A189 VanDerWaalsContact C-N 3.27Å; I187-A189 PolarHBondContact O-N 2.63Å
190	T	96.9	Very high	97.3	Very high	35 Å²	35	47.7 Å²	47.7	22%	0.215	26%	0.258	C	S	.	.			trans	-103.6	127.8	-175.1	-60.3	0	0	0	0	111.2	C186 I187 E188 K195 I196	C186-T190 WeakPolarHBondContact O-CB 3.43Å; C186-T190 PolarHBondContact O-N 3.22Å; C186-T190 PolarHBondContact O-OG1 3Å; I187-T190 PolarHBondContact O-N 3.48Å; E188-T190 VanDerWaalsContact C-N 3.27Å; E188-T190 PolarHBondContact O-N 2.66Å; T190-K195 HydrophobicContact CG2-CB 3.7Å; T190-K195 HydrophobicContact CG2-CG 3.81Å; T190-I196 HydrophobicContact CG2-CG1 3.76Å
191	S	92.1	Very high	97.3	Very high	126 Å²	126	48 Å²	48	88%	0.881	26%	0.26	S	S	*	.			trans	-89.6	-28.6	176.5	57.2	0	0	0	0	113.8
192	G	94.3	Very high	97.3	Very high	34 Å²	34	48.5 Å²	48.5	35%	0.351	26%	0.263	S	S	.	.			trans	-83.5	121.9	-175	0	0	0	0	0	113.6	I194 K195 I196	G192-I194 VanDerWaalsContact C-N 3.27Å; G192-I194 PolarHBondContact O-N 3.49Å; G192-K195 PolarHBondContact O-N 2.85Å; G192-K195 VanDerWaalsContact O-N 3.13Å; G192-I196 WeakPolarHBondContact O-CG1 3.45Å; G192-I196 PolarHBondContact O-N 3.37Å
193	R	96.2	Very high	97.4	Very high	185 Å²	185	45 Å²	45	70%	0.698	25%	0.25	S	C	*	.	H	α-helix	trans	-55.8	-38.1	179.8	-174.7	180	-68.5	161.5	-1.4	113.4	I196 T197	R193-I196 PolarHBondContact O-N 3.29Å; R193-T197 WeakPolarHBondContact O-CB 3.44Å; R193-T197 PolarHBondContact O-N 2.89Å; R193-T197 PolarHBondContact O-OG1 3.3Å
194	I	96.6	Very high	97.4	Very high	151 Å²	151	45 Å²	45	77%	0.774	25%	0.25	S	C	*	.	H	α-helix	trans	-60.8	-49.4	178.6	-64.8	171.8	0	0	0	110	G192 T197 E198	G192-I194 VanDerWaalsContact C-N 3.27Å; G192-I194 PolarHBondContact O-N 3.49Å; I194-T197 WeakPolarHBondContact O-CB 3.25Å; I194-T197 PolarHBondContact O-N 3.39Å; I194-T197 VanDerWaalsContact O-N 3.16Å; I194-E198 PolarHBondContact O-N 3.16Å
195	K	97.7	Very high	97.3	Very high	65 Å²	65	45.2 Å²	45.2	28%	0.283	25%	0.251	S	S	.	.	H	α-helix	trans	-69	-36.8	-180	-174.3	60.3	178.7	-178.1	0	112.5	S157 T190 G192 T197 E198 I199	S157-K195 PolarHBondContact O-NZ 3.44Å; T190-K195 HydrophobicContact CG2-CB 3.7Å; T190-K195 HydrophobicContact CG2-CG 3.81Å; G192-K195 PolarHBondContact O-N 2.85Å; G192-K195 VanDerWaalsContact O-N 3.13Å; K195-T197 VanDerWaalsContact C-N 3.27Å; K195-T197 PolarHBondContact O-N 3.42Å; K195-E198 HydrophobicContact CD-CB 4.44Å; K195-E198 WeakPolarHBondContact CD-OE2 3.36Å; K195-E198 IonicContact NZ-OE1 3.46Å; K195-E198 PolarHBondContact NZ-OE1 2.78Å; K195-E198 IonicContact NZ-OE2 2.65Å; K195-E198 PolarHBondContact NZ-OE2 3.18Å; K195-E198 VanDerWaalsContact NZ-OE2 3.14Å; K195-E198 PolarHBondContact O-N 3.41Å; K195-I199 HydrophobicContact CG-CD1 4.09Å; K195-I199 WeakPolarHBondContact O-CD1 3.18Å; K195-I199 VanDerWaalsContact O-CG1 3.27Å; K195-I199 WeakPolarHBondContact O-CG1 3.33Å; K195-I199 PolarHBondContact O-N 2.91Å
196	I	98.4	Very high	97.4	Very high	13 Å²	13	42.3 Å²	42.3	7%	0.067	24%	0.237	C	C	.	.	H	α-helix	trans	-57	-44.8	170.4	-67.8	172.3	0	0	0	110.6	I187 T190 G192 R193 I199 L200 L342 T346	I187-I196 HydrophobicContact CD1-CG2 4.48Å; I187-I196 HydrophobicContact CG1-CG2 4.16Å; I187-I196 HydrophobicContact CG2-CD1 4.47Å; I187-I196 HydrophobicContact CG2-CG1 4.29Å; I187-I196 HydrophobicContact CG2-CG2 3.83Å; T190-I196 HydrophobicContact CG2-CG1 3.76Å; G192-I196 WeakPolarHBondContact O-CG1 3.45Å; G192-I196 PolarHBondContact O-N 3.37Å; R193-I196 PolarHBondContact O-N 3.29Å; I196-I199 PolarHBondContact O-N 3.04Å; I196-L200 WeakPolarHBondContact O-CB 3.27Å; I196-L200 PolarHBondContact O-N 3.45Å; I196-L200 VanDerWaalsContact O-N 3.09Å; I196-L342 HydrophobicContact CG2-CD1 3.85Å; I196-T346 HydrophobicContact CG2-CG2 3.8Å
197	T	98.3	Very high	97.4	Very high	10 Å²	10	41.1 Å²	41.1	6%	0.061	23%	0.229	C	C	.	.	H	α-helix	trans	-63.6	-44	179.7	-51.2	0	0	0	0	110.8	R193 I194 K195 L200 C201 T346 T349 A350 Q353	R193-T197 WeakPolarHBondContact O-CB 3.44Å; R193-T197 PolarHBondContact O-N 2.89Å; R193-T197 PolarHBondContact O-OG1 3.3Å; I194-T197 WeakPolarHBondContact O-CB 3.25Å; I194-T197 PolarHBondContact O-N 3.39Å; I194-T197 VanDerWaalsContact O-N 3.16Å; K195-T197 VanDerWaalsContact C-N 3.27Å; K195-T197 PolarHBondContact O-N 3.42Å; T197-L200 PolarHBondContact O-N 2.92Å; T197-C201 WeakPolarHBondContact O-CB 3.41Å; T197-C201 PolarHBondContact O-N 2.74Å; T197-T346 WeakPolarHBondContact OG1-CG2 3.42Å; T197-T349 HydrophobicContact CG2-CG2 3.72Å; T197-A350 HydrophobicContact CG2-CB 4Å; T197-Q353 VanDerWaalsContact CG2-OE1 3.31Å
198	E	98.1	Very high	97.3	Very high	68 Å²	68	41.2 Å²	41.2	32%	0.318	23%	0.23	S	C	.	.	H	α-helix	trans	-60	-48.7	176.7	-171.9	-161	141.3	0	0	112.1	I194 K195 L200 C201 N202	I194-E198 PolarHBondContact O-N 3.16Å; K195-E198 HydrophobicContact CD-CB 4.44Å; K195-E198 WeakPolarHBondContact CD-OE2 3.36Å; K195-E198 IonicContact NZ-OE1 3.46Å; K195-E198 PolarHBondContact NZ-OE1 2.78Å; K195-E198 IonicContact NZ-OE2 2.65Å; K195-E198 PolarHBondContact NZ-OE2 3.18Å; K195-E198 VanDerWaalsContact NZ-OE2 3.14Å; K195-E198 PolarHBondContact O-N 3.41Å; E198-L200 VanDerWaalsContact C-N 3.3Å; E198-L200 PolarHBondContact O-N 3.22Å; E198-C201 WeakPolarHBondContact O-CB 3.36Å; E198-C201 PolarHBondContact O-N 2.96Å; E198-N202 WeakPolarHBondContact O-CB 3.45Å; E198-N202 PolarHBondContact O-N 3.12Å; E198-N202 PolarHBondContact O-ND2 3.26Å
199	I	98.6	Very high	97.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-55.8	-47.3	177.4	-71.4	161.9	0	0	0	110.7	P156 T183 C186 I187 K195 I196 N202 F203	P156-I199 HydrophobicContact CB-CG2 4.07Å; P156-I199 HydrophobicContact CG-CG2 3.93Å; T183-I199 HydrophobicContact CG2-CG2 3.99Å; C186-I199 HydrophobicContact CB-CD1 4.04Å; C186-I199 HydrophobicContact CB-CG2 4Å; I187-I199 HydrophobicContact CD1-CG2 4.46Å; I187-I199 HydrophobicContact CG1-CB 4.42Å; I187-I199 HydrophobicContact CG1-CG2 3.88Å; K195-I199 HydrophobicContact CG-CD1 4.09Å; K195-I199 WeakPolarHBondContact O-CD1 3.18Å; K195-I199 VanDerWaalsContact O-CG1 3.27Å; K195-I199 WeakPolarHBondContact O-CG1 3.33Å; K195-I199 PolarHBondContact O-N 2.91Å; I196-I199 PolarHBondContact O-N 3.04Å; I199-N202 PolarHBondContact O-N 3.35Å; I199-F203 PolarHBondContact O-N 2.6Å; I199-F203 VanDerWaalsContact O-N 3.16Å
200	L	98.6	Very high	97.2	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-72.7	-35.7	-178.4	-173.4	60.6	0	0	0	112.4	T183 I187 I196 T197 E198 F203 F204 L342 V347 A350	T183-L200 HydrophobicContact CG2-CD1 4.38Å; I187-L200 HydrophobicContact CD1-CB 4.3Å; I187-L200 HydrophobicContact CD1-CD1 4.43Å; I196-L200 WeakPolarHBondContact O-CB 3.27Å; I196-L200 PolarHBondContact O-N 3.45Å; I196-L200 VanDerWaalsContact O-N 3.09Å; T197-L200 PolarHBondContact O-N 2.92Å; E198-L200 VanDerWaalsContact C-N 3.3Å; E198-L200 PolarHBondContact O-N 3.22Å; L200-F203 HydrophobicContact CD1-CD1 4.11Å; L200-F203 PolarHBondContact O-N 3.46Å; L200-F204 HydrophobicContact CD1-CD2 4.41Å; L200-F204 HydrophobicContact CD1-CE1 4.04Å; L200-F204 HydrophobicContact CD1-CE2 3.92Å; L200-F204 HydrophobicContact CD1-CZ 3.69Å; L200-F204 HydrophobicContact CD2-CE2 3.82Å; L200-F204 HydrophobicContact CD2-CZ 4.09Å; L200-F204 HydrophobicContact CG-CD2 4Å; L200-F204 HydrophobicContact CG-CE2 3.56Å; L200-F204 HydrophobicContact CG-CZ 3.87Å; L200-F204 WeakPolarHBondContact O-CG 3.48Å; L200-F204 PolarHBondContact O-N 3.1Å; L200-L342 HydrophobicContact CD2-CD1 3.89Å; L200-L342 HydrophobicContact CD2-CD2 4.01Å; L200-V347 HydrophobicContact CD2-CB 4.32Å; L200-V347 HydrophobicContact CD2-CG2 3.93Å; L200-A350 HydrophobicContact CB-CB 3.77Å; L200-A350 HydrophobicContact CD2-CB 3.83Å; L200-A350 HydrophobicContact CG-CB 3.75Å
201	C	98.5	Very high	97.2	Very high	6 Å²	6	33.4 Å²	33.4	4%	0.041	18%	0.176	C	C	.	.	H	α-helix	trans	-58.2	-49.2	173	173.8	0	0	0	0	110.1	T197 E198 F203 F204 R205 A350 Q353 A354	T197-C201 WeakPolarHBondContact O-CB 3.41Å; T197-C201 PolarHBondContact O-N 2.74Å; E198-C201 WeakPolarHBondContact O-CB 3.36Å; E198-C201 PolarHBondContact O-N 2.96Å; C201-F203 VanDerWaalsContact C-N 3.35Å; C201-F203 PolarHBondContact O-N 3.2Å; C201-F204 PolarHBondContact O-N 3.42Å; C201-F204 VanDerWaalsContact O-N 3.15Å; C201-R205 VanDerWaalsContact O-CG 3.3Å; C201-R205 WeakPolarHBondContact O-CG 3.17Å; C201-R205 PolarHBondContact O-N 3.13Å; C201-A350 HydrophobicContact CB-CB 4.35Å; C201-Q353 HydrophobicContact CB-CB 4.33Å; C201-A354 PolarHBondContact SG-N 3.34Å
202	N	98.6	Very high	97.4	Very high	11 Å²	11	29.8 Å²	29.8	6%	0.059	15%	0.151	C	C	.	.	H	α-helix	trans	-56.7	-46.2	176.4	-75.2	-20.4	0	0	0	112.5	P156 Y161 E198 I199 R205 S206	P156-N202 PolarHBondContact O-ND2 3.33Å; Y161-N202 WeakPolarHBondContact CB-ND2 3.28Å; Y161-N202 HydrophobicContact CD1-CB 3.42Å; Y161-N202 VanDerWaalsContact CD1-CB 3.42Å; Y161-N202 VanDerWaalsContact CD1-CG 3.5Å; Y161-N202 HydrophobicContact CD2-CB 4.31Å; Y161-N202 HydrophobicContact CE1-CB 3.78Å; Y161-N202 VanDerWaalsContact CE1-O 3.27Å; Y161-N202 WeakPolarHBondContact CE1-O 3.46Å; Y161-N202 HydrophobicContact CG-CB 3.73Å; E198-N202 WeakPolarHBondContact O-CB 3.45Å; E198-N202 PolarHBondContact O-N 3.12Å; E198-N202 PolarHBondContact O-ND2 3.26Å; I199-N202 PolarHBondContact O-N 3.35Å; N202-R205 PolarHBondContact O-N 3.35Å; N202-R205 PolarHBondContact OD1-NH1 3.38Å; N202-S206 PolarHBondContact O-N 2.94Å; N202-S206 PolarHBondContact O-OG 2.87Å
203	F	98.7	Very high	97.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.9	-49.7	174.1	174.4	-110	0	0	0	111.9	Y154 W169 V175 L180 T183 I199 L200 C201 R205 S206 V207 C218	Y154-F203 WeakPolarHBondContact OH-CD2 3.28Å; W169-F203 HydrophobicContact CH2-CE2 4.43Å; V175-F203 HydrophobicContact CG1-CE2 4.15Å; V175-F203 HydrophobicContact CG1-CZ 4.44Å; L180-F203 HydrophobicContact CB-CE2 4.4Å; L180-F203 HydrophobicContact CB-CZ 4.06Å; L180-F203 HydrophobicContact CD1-CD1 4.43Å; L180-F203 HydrophobicContact CD1-CE1 3.61Å; L180-F203 HydrophobicContact CD1-CE2 4.44Å; L180-F203 HydrophobicContact CD1-CZ 3.63Å; L180-F203 HydrophobicContact CG-CZ 4.41Å; T183-F203 HydrophobicContact CG2-CB 3.89Å; T183-F203 HydrophobicContact CG2-CD1 4.43Å; T183-F203 HydrophobicContact CG2-CG 4.08Å; T183-F203 WeakPolarHBondContact OG1-CD2 3.48Å; I199-F203 PolarHBondContact O-N 2.6Å; I199-F203 VanDerWaalsContact O-N 3.16Å; L200-F203 HydrophobicContact CD1-CD1 4.11Å; L200-F203 PolarHBondContact O-N 3.46Å; C201-F203 VanDerWaalsContact C-N 3.35Å; C201-F203 PolarHBondContact O-N 3.2Å; F203-R205 VanDerWaalsContact C-N 3.34Å; F203-R205 PolarHBondContact O-N 2.64Å; F203-S206 PolarHBondContact O-N 3.4Å; F203-V207 HydrophobicContact CD1-CG2 4.37Å; F203-V207 HydrophobicContact CD2-CG2 4.08Å; F203-V207 HydrophobicContact CE1-CG2 4.01Å; F203-V207 HydrophobicContact CE2-CG2 3.68Å; F203-V207 HydrophobicContact CG-CG2 4.42Å; F203-V207 HydrophobicContact CZ-CG2 3.65Å; F203-V207 WeakPolarHBondContact O-CG2 3.39Å; F203-V207 PolarHBondContact O-N 3.22Å; F203-C218 HydrophobicContact CE1-CB 3.89Å; F203-C218 HydrophobicContact CZ-CB 4.18Å
204	F	98.7	Very high	97.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.5	-33.4	179.7	-70.5	-29.6	0	0	0	113.8	L200 C201 S206 V207 G208 L215 V219 V347 A350 L351 A354	L200-F204 HydrophobicContact CD1-CD2 4.41Å; L200-F204 HydrophobicContact CD1-CE1 4.04Å; L200-F204 HydrophobicContact CD1-CE2 3.92Å; L200-F204 HydrophobicContact CD1-CZ 3.69Å; L200-F204 HydrophobicContact CD2-CE2 3.82Å; L200-F204 HydrophobicContact CD2-CZ 4.09Å; L200-F204 HydrophobicContact CG-CD2 4Å; L200-F204 HydrophobicContact CG-CE2 3.56Å; L200-F204 HydrophobicContact CG-CZ 3.87Å; L200-F204 WeakPolarHBondContact O-CG 3.48Å; L200-F204 PolarHBondContact O-N 3.1Å; C201-F204 PolarHBondContact O-N 3.42Å; C201-F204 VanDerWaalsContact O-N 3.15Å; F204-S206 VanDerWaalsContact C-N 3.35Å; F204-S206 PolarHBondContact O-N 2.86Å; F204-V207 PolarHBondContact O-N 3.5Å; F204-G208 PolarHBondContact O-N 3.12Å; F204-L215 HydrophobicContact CD1-CD1 3.88Å; F204-L215 HydrophobicContact CE1-CD1 4.5Å; F204-L215 HydrophobicContact CG-CD1 4.42Å; F204-V219 HydrophobicContact CE1-CG2 3.73Å; F204-V219 HydrophobicContact CE2-CG2 4.45Å; F204-V219 HydrophobicContact CZ-CG2 3.7Å; F204-V347 HydrophobicContact CE2-CG1 4.07Å; F204-V347 HydrophobicContact CZ-CG1 3.99Å; F204-A350 HydrophobicContact CD2-CB 4.19Å; F204-A350 HydrophobicContact CE2-CB 4.24Å; F204-L351 HydrophobicContact CD2-CB 4.19Å; F204-L351 HydrophobicContact CD2-CD1 4.33Å; F204-L351 HydrophobicContact CE2-CB 4.29Å; F204-A354 HydrophobicContact CB-CB 3.83Å
205	R	98	Very high	97.7	Very high	5 Å²	5	17.3 Å²	17.3	2%	0.019	9%	0.087	C	C	.	.	H	α-helix	trans	-58.8	-46.6	173.6	-71	170.4	65.5	-147.8	2.5	111.2	Y161 P163 C201 N202 F203 L209 A354 M357 T358 I372	Y161-R205 PolarHBondContact O-NH1 3.06Å; Y161-R205 VanDerWaalsContact O-NH1 3.15Å; P163-R205 HydrophobicContact CB-CB 3.89Å; P163-R205 VanDerWaalsContact CD-NH2 3.35Å; P163-R205 HydrophobicContact CG-CB 4.46Å; C201-R205 VanDerWaalsContact O-CG 3.3Å; C201-R205 WeakPolarHBondContact O-CG 3.17Å; C201-R205 PolarHBondContact O-N 3.13Å; N202-R205 PolarHBondContact O-N 3.35Å; N202-R205 PolarHBondContact OD1-NH1 3.38Å; F203-R205 VanDerWaalsContact C-N 3.34Å; F203-R205 PolarHBondContact O-N 2.64Å; R205-L209 WeakPolarHBondContact O-CB 3.22Å; R205-L209 PolarHBondContact O-N 3.34Å; R205-L209 VanDerWaalsContact O-N 3.16Å; R205-A354 HydrophobicContact CG-CB 3.79Å; R205-M357 VanDerWaalsContact CZ-CE 3.5Å; R205-M357 PolarHBondContact NE-SD 3.06Å; R205-T358 PolarHBondContact NE-OG1 2.86Å; R205-I372 PolarHBondContact NH2-O 3.26Å
206	S	98	Very high	97.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-67	-44.2	178.5	-53.2	0	0	0	0	112.1	Y161 P163 N202 F203 F204 L209 L210	Y161-S206 VanDerWaalsContact CE1-OG 3.29Å; Y161-S206 WeakPolarHBondContact CE1-OG 3.49Å; Y161-S206 PolarHBondContact OH-OG 3.45Å; P163-S206 VanDerWaalsContact CA-OG 3.25Å; P163-S206 WeakPolarHBondContact CA-OG 3.4Å; P163-S206 WeakPolarHBondContact O-CB 3.41Å; P163-S206 PolarHBondContact O-OG 3.33Å; N202-S206 PolarHBondContact O-N 2.94Å; N202-S206 PolarHBondContact O-OG 2.87Å; F203-S206 PolarHBondContact O-N 3.4Å; F204-S206 VanDerWaalsContact C-N 3.35Å; F204-S206 PolarHBondContact O-N 2.86Å; S206-L209 PolarHBondContact O-N 3.37Å; S206-L210 VanDerWaalsContact O-CB 3.31Å; S206-L210 WeakPolarHBondContact O-CB 3.43Å; S206-L210 WeakPolarHBondContact O-CG 3.4Å; S206-L210 PolarHBondContact O-N 2.97Å
207	V	98.2	Very high	97.7	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-65.5	-48.4	179.6	179.9	0	0	0	0	111.3	W169 V175 F203 F204 L209 S211 S212 L215	W169-V207 HydrophobicContact CH2-CG2 4.33Å; W169-V207 HydrophobicContact CZ2-CG2 4.01Å; V175-V207 HydrophobicContact CG1-CG2 4.43Å; V175-V207 HydrophobicContact CG2-CB 4.5Å; V175-V207 HydrophobicContact CG2-CG1 4.07Å; V175-V207 HydrophobicContact CG2-CG2 3.95Å; F203-V207 HydrophobicContact CD1-CG2 4.37Å; F203-V207 HydrophobicContact CD2-CG2 4.08Å; F203-V207 HydrophobicContact CE1-CG2 4.01Å; F203-V207 HydrophobicContact CE2-CG2 3.68Å; F203-V207 HydrophobicContact CG-CG2 4.42Å; F203-V207 HydrophobicContact CZ-CG2 3.65Å; F203-V207 WeakPolarHBondContact O-CG2 3.39Å; F203-V207 PolarHBondContact O-N 3.22Å; F204-V207 PolarHBondContact O-N 3.5Å; V207-L209 VanDerWaalsContact C-N 3.27Å; V207-L209 PolarHBondContact O-N 3.26Å; V207-S211 CarbonylContact O-C 3.58Å; V207-S211 WeakPolarHBondContact O-CA 3.18Å; V207-S211 PolarHBondContact O-N 3.28Å; V207-S212 PolarHBondContact O-N 3.05Å; V207-S212 VanDerWaalsContact O-N 3.15Å; V207-L215 HydrophobicContact CB-CD1 4.23Å; V207-L215 HydrophobicContact CG1-CB 3.91Å; V207-L215 HydrophobicContact CG1-CD1 3.95Å
208	G	96.4	Very high	97.8	Very high	2 Å²	2	15.5 Å²	15.5	2%	0.021	8%	0.082	C	C	.	.	H	α-helix	trans	-61.6	-34.6	-179.9	0	0	0	0	0	113.1	F204	F204-G208 PolarHBondContact O-N 3.12Å
209	L	94.6	Very high	97.8	Very high	14 Å²	14	12.2 Å²	12.2	7%	0.073	7%	0.067	C	C	.	.	H	α-helix	trans	-80.6	-42.8	-179.6	-176.2	66.1	0	0	0	113.7	P163 I164 R205 S206 V207 I372	P163-L209 HydrophobicContact CB-CD2 4.45Å; P163-L209 HydrophobicContact CG-CD2 4.32Å; I164-L209 HydrophobicContact CD1-CD2 3.88Å; I164-L209 HydrophobicContact CG1-CD2 3.45Å; I164-L209 VanDerWaalsContact CG1-CD2 3.45Å; R205-L209 WeakPolarHBondContact O-CB 3.22Å; R205-L209 PolarHBondContact O-N 3.34Å; R205-L209 VanDerWaalsContact O-N 3.16Å; S206-L209 PolarHBondContact O-N 3.37Å; V207-L209 VanDerWaalsContact C-N 3.27Å; V207-L209 PolarHBondContact O-N 3.26Å; L209-I372 HydrophobicContact CD1-CD1 4.23Å; L209-I372 HydrophobicContact CD2-CD1 3.65Å
210	L	95.4	Very high	97.8	Very high	11 Å²	11	12.4 Å²	12.4	6%	0.058	7%	0.068	C	C	.	.	H	α-helix	trans	-102.8	-27.4	-168.7	-57.5	176	0	0	0	113.5	I164 C167 E171 G172 S206	I164-L210 HydrophobicContact CG1-CD2 4.43Å; C167-L210 HydrophobicContact CB-CD1 4.14Å; C167-L210 WeakPolarHBondContact SG-CD1 3.48Å; E171-L210 WeakPolarHBondContact CA-O 3.29Å; E171-L210 HydrophobicContact CB-CD2 3.96Å; E171-L210 HydrophobicContact CG-CD2 4.49Å; G172-L210 PolarHBondContact N-O 3.45Å; S206-L210 VanDerWaalsContact O-CB 3.31Å; S206-L210 WeakPolarHBondContact O-CB 3.43Å; S206-L210 WeakPolarHBondContact O-CG 3.4Å; S206-L210 PolarHBondContact O-N 2.97Å
211	S	97.1	Very high	97.7	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.068	C	C	.	.			trans	-146.6	50.2	-169.4	-49.4	0	0	0	0	110.8	W169 E173 V207 F213 D214	W169-S211 VanDerWaalsContact CD1-OG 3.26Å; W169-S211 PolarHBondContact NE1-OG 3.43Å; E173-S211 WeakPolarHBondContact O-CB 3.39Å; E173-S211 PolarHBondContact O-OG 2.95Å; V207-S211 CarbonylContact O-C 3.58Å; V207-S211 WeakPolarHBondContact O-CA 3.18Å; V207-S211 PolarHBondContact O-N 3.28Å; S211-F213 PolarHBondContact O-N 3.33Å; S211-D214 PolarHBondContact O-N 2.91Å
212	S	96.2	Very high	97.7	Very high	50 Å²	50	12.4 Å²	12.4	35%	0.35	7%	0.068	S	C	.	.	G	3₁₀ helix	trans	-54.6	-29.4	-173.1	58	0	0	0	0	113.9	V207 D214 L215	V207-S212 PolarHBondContact O-N 3.05Å; V207-S212 VanDerWaalsContact O-N 3.15Å; S212-D214 VanDerWaalsContact C-N 3.26Å; S212-D214 PolarHBondContact O-N 3.33Å; S212-L215 VanDerWaalsContact O-CB 3.29Å; S212-L215 WeakPolarHBondContact O-CB 3.36Å; S212-L215 PolarHBondContact O-N 3.47Å
213	F	96.9	Very high	97.6	Very high	109 Å²	109	13.2 Å²	13.2	48%	0.478	7%	0.072	S	C	.	.	G	3₁₀ helix	trans	-65.3	-23	175.1	60	-94.7	0	0	0	114.1	E173 S211	E173-F213 WeakPolarHBondContact O-CZ 3.47Å; S211-F213 PolarHBondContact O-N 3.33Å
214	D	98.5	Very high	97.5	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-91.1	-11.9	175.2	-87.5	-27.8	0	0	0	112.7	S174 V175 S211 S212 T216 S217 C218 I289 S290	S174-D214 WeakPolarHBondContact CA-OD2 3.25Å; S174-D214 VanDerWaalsContact CB-OD2 3.29Å; S174-D214 WeakPolarHBondContact CB-OD2 3.22Å; S174-D214 PolarHBondContact OG-OD2 3.25Å; V175-D214 HydrophobicContact CG2-CB 3.92Å; V175-D214 PolarHBondContact N-OD2 2.86Å; S211-D214 PolarHBondContact O-N 2.91Å; S212-D214 VanDerWaalsContact C-N 3.26Å; S212-D214 PolarHBondContact O-N 3.33Å; D214-T216 VanDerWaalsContact C-N 3.34Å; D214-T216 PolarHBondContact O-N 3.21Å; D214-S217 WeakPolarHBondContact O-CB 3.33Å; D214-S217 PolarHBondContact O-N 3.45Å; D214-S217 VanDerWaalsContact O-N 3.11Å; D214-C218 PolarHBondContact O-N 3.45Å; D214-C218 PolarHBondContact O-SG 3.32Å; D214-I289 HydrophobicContact CB-CB 4.37Å; D214-I289 HydrophobicContact CB-CG2 4.04Å; D214-S290 PolarHBondContact OD1-N 3.38Å; D214-S290 PolarHBondContact OD1-OG 2.73Å
215	L	98.5	Very high	97.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57.7	-43.4	-173	-177.5	57.5	0	0	0	112.8	F204 V207 S212 C218 V219 F360 I408 L412	F204-L215 HydrophobicContact CD1-CD1 3.88Å; F204-L215 HydrophobicContact CE1-CD1 4.5Å; F204-L215 HydrophobicContact CG-CD1 4.42Å; V207-L215 HydrophobicContact CB-CD1 4.23Å; V207-L215 HydrophobicContact CG1-CB 3.91Å; V207-L215 HydrophobicContact CG1-CD1 3.95Å; S212-L215 VanDerWaalsContact O-CB 3.29Å; S212-L215 WeakPolarHBondContact O-CB 3.36Å; S212-L215 PolarHBondContact O-N 3.47Å; L215-C218 WeakPolarHBondContact O-CB 3.34Å; L215-C218 PolarHBondContact O-N 2.83Å; L215-V219 HydrophobicContact CD1-CG2 4.44Å; L215-V219 WeakPolarHBondContact O-CG2 3.24Å; L215-V219 PolarHBondContact O-N 2.6Å; L215-F360 HydrophobicContact CD2-CD2 3.72Å; L215-F360 HydrophobicContact CD2-CE2 3.5Å; L215-F360 VanDerWaalsContact CD2-CE2 3.5Å; L215-F360 HydrophobicContact CD2-CZ 4.38Å; L215-I408 HydrophobicContact CB-CG2 4.2Å; L215-I408 HydrophobicContact CD2-CG2 3.75Å; L215-I408 HydrophobicContact CG-CD1 4.33Å; L215-I408 HydrophobicContact CG-CG2 3.98Å; L215-L412 HydrophobicContact CD2-CD2 4.48Å
216	T	98.5	Very high	97.3	Very high	32 Å²	32	18.7 Å²	18.7	20%	0.196	10%	0.096	C	C	.	.	H	α-helix	trans	-61.6	-46	176.3	-57.1	0	0	0	0	112.1	D214 C218 V219 Y220 I408	D214-T216 VanDerWaalsContact C-N 3.34Å; D214-T216 PolarHBondContact O-N 3.21Å; T216-C218 VanDerWaalsContact C-N 3.34Å; T216-C218 PolarHBondContact O-N 2.84Å; T216-V219 PolarHBondContact O-N 3.4Å; T216-Y220 HydrophobicContact CG2-CD2 3.72Å; T216-Y220 HydrophobicContact CG2-CE2 3.46Å; T216-Y220 VanDerWaalsContact CG2-CE2 3.46Å; T216-Y220 WeakPolarHBondContact O-CD2 3.46Å; T216-Y220 PolarHBondContact O-N 2.92Å; T216-I408 VanDerWaalsContact CA-CD1 3.47Å; T216-I408 HydrophobicContact CG2-CD1 4.38Å
217	S	98.6	Very high	97.2	Very high	17 Å²	17	19 Å²	19	12%	0.119	10%	0.1	C	C	.	.	H	α-helix	trans	-61.8	-42.5	176.6	-57.9	0	0	0	0	111.4	D214 Y220 L221 I289 F293	D214-S217 WeakPolarHBondContact O-CB 3.33Å; D214-S217 PolarHBondContact O-N 3.45Å; D214-S217 VanDerWaalsContact O-N 3.11Å; S217-Y220 PolarHBondContact O-N 3.21Å; S217-L221 WeakPolarHBondContact O-CB 3.35Å; S217-L221 VanDerWaalsContact O-CG 3.24Å; S217-L221 WeakPolarHBondContact O-CG 3.49Å; S217-L221 PolarHBondContact O-N 3.34Å; S217-I289 VanDerWaalsContact CB-CG2 3.49Å; S217-F293 VanDerWaalsContact OG-CD1 3.3Å; S217-F293 WeakPolarHBondContact OG-CD1 3.36Å
218	C	98.7	Very high	97.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.7	-49.1	175	-76	0	0	0	0	112.1	F203 D214 L215 T216 Y220 L221 C222	F203-C218 HydrophobicContact CE1-CB 3.89Å; F203-C218 HydrophobicContact CZ-CB 4.18Å; D214-C218 PolarHBondContact O-N 3.45Å; D214-C218 PolarHBondContact O-SG 3.32Å; L215-C218 WeakPolarHBondContact O-CB 3.34Å; L215-C218 PolarHBondContact O-N 2.83Å; T216-C218 VanDerWaalsContact C-N 3.34Å; T216-C218 PolarHBondContact O-N 2.84Å; C218-Y220 VanDerWaalsContact C-N 3.35Å; C218-Y220 PolarHBondContact O-N 2.99Å; C218-L221 PolarHBondContact O-N 2.99Å; C218-C222 PolarHBondContact O-N 3.23Å; C218-C222 PolarHBondContact O-SG 3.27Å
219	V	98.6	Very high	96.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.2	-44.7	178.1	169.6	0	0	0	0	111.2	F204 L215 T216 C222 L223 V347 Y404 I408	F204-V219 HydrophobicContact CE1-CG2 3.73Å; F204-V219 HydrophobicContact CE2-CG2 4.45Å; F204-V219 HydrophobicContact CZ-CG2 3.7Å; L215-V219 HydrophobicContact CD1-CG2 4.44Å; L215-V219 WeakPolarHBondContact O-CG2 3.24Å; L215-V219 PolarHBondContact O-N 2.6Å; T216-V219 PolarHBondContact O-N 3.4Å; V219-C222 WeakPolarHBondContact O-CB 3.27Å; V219-C222 PolarHBondContact O-N 2.93Å; V219-L223 HydrophobicContact CG1-CD1 4.33Å; V219-L223 WeakPolarHBondContact O-CG 3.28Å; V219-L223 PolarHBondContact O-N 2.82Å; V219-V347 HydrophobicContact CG1-CG1 4.07Å; V219-Y404 HydrophobicContact CG1-CD1 3.51Å; V219-Y404 HydrophobicContact CG1-CD2 4.12Å; V219-Y404 HydrophobicContact CG1-CE1 3.8Å; V219-Y404 HydrophobicContact CG1-CE2 4.38Å; V219-Y404 HydrophobicContact CG1-CG 3.68Å; V219-I408 HydrophobicContact CB-CD1 4.06Å; V219-I408 HydrophobicContact CG2-CD1 3.83Å
220	Y	98.1	Very high	96.9	Very high	3 Å²	3	21.5 Å²	21.5	1%	0.012	12%	0.115	C	C	.	.	H	α-helix	trans	-64.3	-41.3	176.9	-80	-54.7	0	0	0	112.8	T216 S217 C218 L223 N224 R225 G227 P228 F293 Y404	T216-Y220 HydrophobicContact CG2-CD2 3.72Å; T216-Y220 HydrophobicContact CG2-CE2 3.46Å; T216-Y220 VanDerWaalsContact CG2-CE2 3.46Å; T216-Y220 WeakPolarHBondContact O-CD2 3.46Å; T216-Y220 PolarHBondContact O-N 2.92Å; S217-Y220 PolarHBondContact O-N 3.21Å; C218-Y220 VanDerWaalsContact C-N 3.35Å; C218-Y220 PolarHBondContact O-N 2.99Å; Y220-L223 CarbonylContact O-C 3.4Å; Y220-L223 PolarHBondContact O-N 2.62Å; Y220-L223 VanDerWaalsContact O-N 3.13Å; Y220-N224 PolarHBondContact O-N 2.62Å; Y220-R225 CarbonylContact C-O 3.4Å; Y220-R225 WeakPolarHBondContact CB-O 3.48Å; Y220-R225 HydrophobicContact CD1-CB 4.09Å; Y220-R225 PolarHBondContact O-N 2.9Å; Y220-G227 WeakPolarHBondContact CE1-O 3.47Å; Y220-P228 WeakPolarHBondContact OH-CD 3.29Å; Y220-F293 AromaticContact CD2-CZ 3.95Å; Y220-F293 HydrophobicContact CD2-CZ 3.95Å; Y220-F293 HydrophobicContact CG-CE2 4.5Å; Y220-F293 HydrophobicContact CG-CZ 4.25Å; Y220-Y404 HydrophobicContact CD1-CD2 4.24Å; Y220-Y404 AromaticContact CE1-CD2 3.74Å; Y220-Y404 HydrophobicContact CE1-CD2 3.74Å; Y220-Y404 HydrophobicContact CE1-CG 4.44Å
221	L	98.2	Very high	96.8	Very high	2 Å²	2	26 Å²	26	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-64.4	-38.8	175.9	-71.4	169	0	0	0	112.3	Y177 L180 S217 C218 L223 N224 I289 F293 L296	Y177-L221 HydrophobicContact CE2-CD1 4.48Å; L180-L221 HydrophobicContact CD2-CB 3.7Å; L180-L221 HydrophobicContact CD2-CD1 3.78Å; L180-L221 HydrophobicContact CD2-CG 4.37Å; S217-L221 WeakPolarHBondContact O-CB 3.35Å; S217-L221 VanDerWaalsContact O-CG 3.24Å; S217-L221 WeakPolarHBondContact O-CG 3.49Å; S217-L221 PolarHBondContact O-N 3.34Å; C218-L221 PolarHBondContact O-N 2.99Å; L221-L223 PolarHBondContact O-N 2.94Å; L221-N224 PolarHBondContact O-N 3.01Å; L221-I289 HydrophobicContact CD1-CD1 3.64Å; L221-I289 HydrophobicContact CD1-CG2 4.17Å; L221-F293 HydrophobicContact CD1-CD2 4.31Å; L221-F293 HydrophobicContact CD2-CD2 4.01Å; L221-F293 HydrophobicContact CG-CD2 3.87Å; L221-F293 HydrophobicContact CG-CE2 4.46Å; L221-L296 HydrophobicContact CD2-CD1 3.77Å
222	C	98.3	Very high	96.4	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.034	15%	0.153	C	C	.	.	H	α-helix	trans	-58.3	-32.8	172.5	-70.4	0	0	0	0	112.7	F184 C218 V219 L342 V347	F184-C222 HydrophobicContact CE1-CB 4.35Å; C218-C222 PolarHBondContact O-N 3.23Å; C218-C222 PolarHBondContact O-SG 3.27Å; V219-C222 WeakPolarHBondContact O-CB 3.27Å; V219-C222 PolarHBondContact O-N 2.93Å; C222-L342 HydrophobicContact CB-CD2 3.95Å; C222-V347 HydrophobicContact CB-CG2 4.32Å
223	L	96.5	Very high	96	Very high	27 Å²	27	28.7 Å²	28.7	14%	0.141	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-1.1	177.2	-62.4	172.5	0	0	0	113.3	V219 Y220 L221 R225 E344 V347 Y404	V219-L223 HydrophobicContact CG1-CD1 4.33Å; V219-L223 WeakPolarHBondContact O-CG 3.28Å; V219-L223 PolarHBondContact O-N 2.82Å; Y220-L223 CarbonylContact O-C 3.4Å; Y220-L223 PolarHBondContact O-N 2.62Å; Y220-L223 VanDerWaalsContact O-N 3.13Å; L221-L223 PolarHBondContact O-N 2.94Å; L223-R225 HydrophobicContact CB-CG 4.16Å; L223-R225 PolarHBondContact O-N 3.35Å; L223-E344 HydrophobicContact CD1-CG 4.36Å; L223-E344 HydrophobicContact CD2-CB 3.84Å; L223-E344 HydrophobicContact CD2-CG 3.88Å; L223-V347 HydrophobicContact CD2-CB 4.2Å; L223-V347 HydrophobicContact CD2-CG2 3.69Å; L223-V347 HydrophobicContact CG-CG2 4.32Å; L223-Y404 HydrophobicContact CD1-CD2 4.01Å; L223-Y404 HydrophobicContact CD1-CE1 4.48Å; L223-Y404 HydrophobicContact CD1-CE2 3.16Å; L223-Y404 VanDerWaalsContact CD1-CZ 3.46Å; L223-Y404 WeakPolarHBondContact CD1-OH 3.14Å
224	N	96.3	Very high	95.6	Very high	36 Å²	36	27.6 Å²	27.6	19%	0.193	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	41.1	-170.4	-160.5	45.3	0	0	0	114	Y220 L221 S333 G336 K337 L338	Y220-N224 PolarHBondContact O-N 2.62Å; L221-N224 PolarHBondContact O-N 3.01Å; N224-S333 PolarHBondContact ND2-O 3.34Å; N224-S333 WeakPolarHBondContact OD1-CA 3.31Å; N224-S333 WeakPolarHBondContact OD1-CB 3.39Å; N224-S333 PolarHBondContact OD1-OG 3.13Å; N224-G336 WeakPolarHBondContact ND2-CA 3.44Å; N224-G336 PolarHBondContact ND2-O 3.36Å; N224-K337 PolarHBondContact ND2-N 3.09Å; N224-L338 HydrophobicContact CB-CB 4.14Å
225	R	95.5	Very high	95.2	Very high	74 Å²	74	28.7 Å²	28.7	28%	0.279	16%	0.155	S	C	.	.			trans	-117.3	165.7	175.5	-60.7	-175.2	-165	157.8	8.1	109.6	Y220 L223 E344	Y220-R225 CarbonylContact C-O 3.4Å; Y220-R225 WeakPolarHBondContact CB-O 3.48Å; Y220-R225 HydrophobicContact CD1-CB 4.09Å; Y220-R225 PolarHBondContact O-N 2.9Å; L223-R225 HydrophobicContact CB-CG 4.16Å; L223-R225 PolarHBondContact O-N 3.35Å; R225-E344 IonicContact CZ-OE1 2.76Å; R225-E344 IonicContact NH1-OE1 3.64Å; R225-E344 PolarHBondContact NH1-OE1 3.41Å; R225-E344 IonicContact NH2-OE1 3.49Å; R225-E344 PolarHBondContact NH2-OE1 3.14Å; R225-E344 IonicContact NH2-OE2 3.24Å; R225-E344 PolarHBondContact NH2-OE2 3.44Å
226	L	95.8	Very high	94.6	Very high	11 Å²	11	30.6 Å²	30.6	6%	0.058	17%	0.174	C	C	.	.	S	Bend	trans	-116.8	-0.8	175.8	-60.3	178.1	0	0	0	113.1	M233 L235 F293 L296 K297 A300	L226-M233 HydrophobicContact CB-CG 4.11Å; L226-M233 HydrophobicContact CB-SD 3.5Å; L226-M233 WeakPolarHBondContact CB-SD 3.38Å; L226-M233 HydrophobicContact CD1-CG 4.13Å; L226-M233 HydrophobicContact CD1-SD 3.87Å; L226-M233 HydrophobicContact CG-SD 4.36Å; L226-L235 HydrophobicContact CD1-CD2 3.81Å; L226-L235 HydrophobicContact CD1-CG 4.04Å; L226-F293 HydrophobicContact CD2-CD2 4.09Å; L226-F293 HydrophobicContact CD2-CE2 3.86Å; L226-F293 WeakPolarHBondContact O-CZ 3.5Å; L226-L296 HydrophobicContact CD1-CB 4.2Å; L226-L296 WeakPolarHBondContact CD1-O 3.09Å; L226-L296 HydrophobicContact CD2-CB 3.6Å; L226-L296 HydrophobicContact CD2-CD1 4.15Å; L226-K297 HydrophobicContact CB-CG 4.36Å; L226-K297 WeakPolarHBondContact O-CE 3.5Å; L226-A300 HydrophobicContact CD1-CB 3.71Å
227	G	95.9	Very high	94.2	Very high	7 Å²	7	30 Å²	30	7%	0.072	17%	0.17	C	C	.	.	S	Bend	trans	178.6	179.1	-175.4	0	0	0	0	0	109.4	Y220	Y220-G227 WeakPolarHBondContact CE1-O 3.47Å
228	P	95.7	Very high	93.7	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.032	18%	0.183	C	C	.	.			trans	-63.9	156.8	171.6	31.2	-33.9	0	0	0	111.1	Y220 Y230 E231	Y220-P228 WeakPolarHBondContact OH-CD 3.29Å; P228-Y230 HydrophobicContact CB-CD1 3.74Å; P228-Y230 HydrophobicContact CB-CE1 3.31Å; P228-Y230 HydrophobicContact CB-CE2 4.29Å; P228-Y230 HydrophobicContact CB-CG 4.41Å; P228-Y230 HydrophobicContact CG-CD1 4.17Å; P228-Y230 HydrophobicContact CG-CD2 4.24Å; P228-Y230 HydrophobicContact CG-CE1 3.6Å; P228-Y230 HydrophobicContact CG-CE2 3.66Å; P228-Y230 HydrophobicContact CG-CG 4.47Å; P228-Y230 WeakPolarHBondContact CG-OH 3.49Å; P228-Y230 PolarHBondContact O-N 2.9Å; P228-E231 VanDerWaalsContact CD-CD 3.49Å; P228-E231 HydrophobicContact CG-CB 4.41Å; P228-E231 HydrophobicContact CG-CG 3.86Å; P228-E231 PolarHBondContact O-N 3.21Å
229	A	92.9	Very high	93.4	Very high	30 Å²	30	35.2 Å²	35.2	25%	0.248	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-60.9	-32.9	-172.6	0	0	0	0	0	113.2	E231 G232 Q482	A229-E231 VanDerWaalsContact C-N 3.27Å; A229-E231 PolarHBondContact O-N 3.34Å; A229-G232 PolarHBondContact O-N 3.49Å; A229-Q482 CarbonylContact C-O 3.55Å; A229-Q482 HydrophobicContact CB-CB 4.13Å
230	Y	95.2	Very high	93	Very high	33 Å²	33	38.7 Å²	38.7	13%	0.129	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-71	-19.4	-178.4	59.6	-101.8	0	0	0	113.7	P228 G232 D403 I429 P430 Q482 D484	P228-Y230 HydrophobicContact CB-CD1 3.74Å; P228-Y230 HydrophobicContact CB-CE1 3.31Å; P228-Y230 HydrophobicContact CB-CE2 4.29Å; P228-Y230 HydrophobicContact CB-CG 4.41Å; P228-Y230 HydrophobicContact CG-CD1 4.17Å; P228-Y230 HydrophobicContact CG-CD2 4.24Å; P228-Y230 HydrophobicContact CG-CE1 3.6Å; P228-Y230 HydrophobicContact CG-CE2 3.66Å; P228-Y230 HydrophobicContact CG-CG 4.47Å; P228-Y230 WeakPolarHBondContact CG-OH 3.49Å; P228-Y230 PolarHBondContact O-N 2.9Å; Y230-G232 PolarHBondContact O-N 3.47Å; Y230-D403 PolarHBondContact OH-OD2 3.08Å; Y230-I429 HydrophobicContact CE1-CG2 3.85Å; Y230-P430 HydrophobicContact CD1-CG 3.88Å; Y230-P430 HydrophobicContact CG-CG 4.12Å; Y230-Q482 WeakPolarHBondContact CA-O 3.14Å; Y230-Q482 WeakPolarHBondContact CB-O 3.47Å; Y230-Q482 PolarHBondContact N-O 2.97Å; Y230-D484 WeakPolarHBondContact O-CB 3.44Å
231	E	93.8	Very high	92.7	Very high	105 Å²	105	39.9 Å²	39.9	49%	0.491	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-74.7	-13	170.8	-75.9	179.6	-164.6	0	0	112.5	P228 A229 M233	P228-E231 VanDerWaalsContact CD-CD 3.49Å; P228-E231 HydrophobicContact CG-CB 4.41Å; P228-E231 HydrophobicContact CG-CG 3.86Å; P228-E231 PolarHBondContact O-N 3.21Å; A229-E231 VanDerWaalsContact C-N 3.27Å; A229-E231 PolarHBondContact O-N 3.34Å; E231-M233 PolarHBondContact O-N 3.17Å; E231-M233 VanDerWaalsContact O-N 3.08Å
232	G	87.4	Confident	92.6	Very high	36 Å²	36	39.9 Å²	39.9	37%	0.371	23%	0.231	S	C	.	.			trans	62.8	20.5	170.9	0	0	0	0	0	115.6	A229 Y230 E234	A229-G232 PolarHBondContact O-N 3.49Å; Y230-G232 PolarHBondContact O-N 3.47Å; G232-E234 PolarHBondContact O-N 2.98Å; G232-E234 VanDerWaalsContact O-N 3.13Å
233	M	89.4	Confident	92.4	Very high	70 Å²	70	39.7 Å²	39.7	35%	0.345	23%	0.229	S	C	.	.			trans	-71.8	105.5	-174.7	-170.1	174.8	-63.3	0	0	111.9	L226 E231 K297 A300	L226-M233 HydrophobicContact CB-CG 4.11Å; L226-M233 HydrophobicContact CB-SD 3.5Å; L226-M233 WeakPolarHBondContact CB-SD 3.38Å; L226-M233 HydrophobicContact CD1-CG 4.13Å; L226-M233 HydrophobicContact CD1-SD 3.87Å; L226-M233 HydrophobicContact CG-SD 4.36Å; E231-M233 PolarHBondContact O-N 3.17Å; E231-M233 VanDerWaalsContact O-N 3.08Å; M233-K297 HydrophobicContact SD-CB 4.39Å; M233-K297 HydrophobicContact SD-CG 3.91Å; M233-A300 HydrophobicContact CG-CB 3.42Å; M233-A300 VanDerWaalsContact CG-CB 3.42Å; M233-A300 HydrophobicContact SD-CB 3.89Å
234	E	86.6	Confident	92.3	Very high	86 Å²	86	43.6 Å²	43.6	40%	0.402	25%	0.245	S	C	.	.			trans	-106.3	132.7	176.9	-68.7	172.3	-147.2	0	0	111	R42 G232 G236 A300 K566	R42-E234 IonicContact NH1-OE2 2.96Å; G232-E234 PolarHBondContact O-N 2.98Å; G232-E234 VanDerWaalsContact O-N 3.13Å; E234-G236 PolarHBondContact O-N 3.43Å; E234-A300 WeakPolarHBondContact O-CA 3.47Å; E234-A300 WeakPolarHBondContact O-CB 3.3Å; E234-K566 IonicContact OE1-NZ 3.17Å; E234-K566 PolarHBondContact OE1-NZ 3.29Å
235	L	90.4	Very high	92.2	Very high	24 Å²	24	41.9 Å²	41.9	13%	0.126	24%	0.236	C	C	.	.			trans	-59.3	-36.2	174.8	-75.5	160.9	0	0	0	112.6	L226 V237 L296 I299 K311 S333 L334	L226-L235 HydrophobicContact CD1-CD2 3.81Å; L226-L235 HydrophobicContact CD1-CG 4.04Å; L235-V237 VanDerWaalsContact C-N 3.29Å; L235-V237 HydrophobicContact CB-CG2 4.31Å; L235-V237 PolarHBondContact O-N 3.33Å; L235-L296 HydrophobicContact CD2-CB 4.18Å; L235-L296 HydrophobicContact CD2-CD2 3.96Å; L235-L296 WeakPolarHBondContact CD2-O 3.36Å; L235-I299 HydrophobicContact CD2-CB 4.27Å; L235-I299 HydrophobicContact CD2-CG2 3.85Å; L235-K311 PolarHBondContact O-NZ 2.99Å; L235-S333 WeakPolarHBondContact CD1-O 3.1Å; L235-L334 HydrophobicContact CD2-CD2 4.35Å
236	G	86.2	Confident	92.1	Very high	39 Å²	39	38.4 Å²	38.4	40%	0.402	22%	0.223	S	C	.	.			trans	62.6	32.2	179.1	0	0	0	0	0	113.8	E234	E234-G236 PolarHBondContact O-N 3.43Å
237	V	90.8	Very high	92	Very high	19 Å²	19	38.8 Å²	38.8	12%	0.115	23%	0.228	C	C	.	.			trans	-103.7	117.7	-179.8	-176.5	0	0	0	0	109.9	L235 I241 L242 I299 K311 I315 L334	L235-V237 VanDerWaalsContact C-N 3.29Å; L235-V237 HydrophobicContact CB-CG2 4.31Å; L235-V237 PolarHBondContact O-N 3.33Å; V237-I241 HydrophobicContact CG1-CB 4.16Å; V237-I241 HydrophobicContact CG1-CG2 4.18Å; V237-L242 HydrophobicContact CG1-CD1 4.49Å; V237-L242 HydrophobicContact CG1-CD2 3.63Å; V237-L242 HydrophobicContact CG1-CG 3.8Å; V237-I299 HydrophobicContact CG2-CG2 3.58Å; V237-K311 HydrophobicContact CG2-CD 4.42Å; V237-I315 HydrophobicContact CG1-CD1 3.8Å; V237-I315 HydrophobicContact CG2-CD1 4.16Å; V237-L334 HydrophobicContact CG2-CD2 4.46Å
238	G	88.6	Confident	91.8	Very high	37 Å²	37	40.4 Å²	40.4	38%	0.381	24%	0.241	S	C	.	.			trans	-84.9	155.2	175.5	0	0	0	0	0	112.9	T240 I241 L242	G238-T240 PolarHBondContact O-N 2.88Å; G238-T240 VanDerWaalsContact O-N 3.12Å; G238-I241 WeakPolarHBondContact O-CB 3.39Å; G238-I241 PolarHBondContact O-N 2.89Å; G238-L242 PolarHBondContact O-N 3.12Å
239	E	90.8	Very high	91.6	Very high	90 Å²	90	41.3 Å²	41.3	42%	0.421	25%	0.246	S	C	.	.	H	α-helix	trans	-52.1	-36.5	178.2	-173.2	-177.1	94.9	0	0	113.2	I241 L242 L243 L261 L267	E239-I241 VanDerWaalsContact C-N 3.28Å; E239-I241 PolarHBondContact O-N 2.89Å; E239-L242 PolarHBondContact O-N 3.01Å; E239-L243 HydrophobicContact CG-CD1 4.22Å; E239-L243 WeakPolarHBondContact O-CG 3.28Å; E239-L243 PolarHBondContact O-N 2.82Å; E239-L261 HydrophobicContact CG-CD2 4.16Å; E239-L267 HydrophobicContact CG-CD2 4.27Å
240	T	91	Very high	91.5	Very high	74 Å²	74	40.5 Å²	40.5	45%	0.454	24%	0.238	S	C	.	.	H	α-helix	trans	-62.1	-34.7	177.2	-59.9	0	0	0	0	112.8	G238 K244	G238-T240 PolarHBondContact O-N 2.88Å; G238-T240 VanDerWaalsContact O-N 3.12Å; T240-K244 HydrophobicContact CG2-CD 4.45Å; T240-K244 VanDerWaalsContact O-CG 3.29Å; T240-K244 WeakPolarHBondContact O-CG 3.2Å; T240-K244 PolarHBondContact O-N 3.29Å; T240-K244 VanDerWaalsContact O-N 3.09Å
241	I	92.1	Very high	91.3	Very high	28 Å²	28	42.3 Å²	42.3	14%	0.144	27%	0.267	C	S	.	.	H	α-helix	trans	-73.3	-40.8	178.7	-62	168.4	0	0	0	109.6	V237 G238 E239 K244 A245 Q308 M312 I315	V237-I241 HydrophobicContact CG1-CB 4.16Å; V237-I241 HydrophobicContact CG1-CG2 4.18Å; G238-I241 WeakPolarHBondContact O-CB 3.39Å; G238-I241 PolarHBondContact O-N 2.89Å; E239-I241 VanDerWaalsContact C-N 3.28Å; E239-I241 PolarHBondContact O-N 2.89Å; I241-K244 PolarHBondContact O-N 3.38Å; I241-A245 WeakPolarHBondContact O-CB 3.38Å; I241-A245 PolarHBondContact O-N 2.95Å; I241-Q308 HydrophobicContact CD1-CB 4.4Å; I241-Q308 HydrophobicContact CD1-CG 4.48Å; I241-M312 HydrophobicContact CG2-CB 4.2Å; I241-I315 HydrophobicContact CG2-CD1 4.27Å
242	L	95	Very high	91.2	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-61.1	-45.7	175.4	-62.6	177.8	0	0	0	111.7	V237 G238 E239 K244 A245 L246 L267 I315 I331 L334 S335	V237-L242 HydrophobicContact CG1-CD1 4.49Å; V237-L242 HydrophobicContact CG1-CD2 3.63Å; V237-L242 HydrophobicContact CG1-CG 3.8Å; G238-L242 PolarHBondContact O-N 3.12Å; E239-L242 PolarHBondContact O-N 3.01Å; L242-K244 VanDerWaalsContact C-N 3.34Å; L242-K244 PolarHBondContact O-N 3.02Å; L242-A245 PolarHBondContact O-N 3.45Å; L242-L246 VanDerWaalsContact O-CB 3.25Å; L242-L246 WeakPolarHBondContact O-CB 3.48Å; L242-L246 PolarHBondContact O-N 3.24Å; L242-L267 HydrophobicContact CB-CD2 3.74Å; L242-L267 HydrophobicContact CD1-CD2 4.19Å; L242-I315 HydrophobicContact CD2-CD1 4.17Å; L242-I315 HydrophobicContact CD2-CG2 4.38Å; L242-I331 HydrophobicContact CD2-CD1 4.31Å; L242-L334 HydrophobicContact CD1-CB 4.33Å; L242-L334 HydrophobicContact CD2-CB 3.66Å; L242-L334 HydrophobicContact CD2-CD1 3.86Å; L242-L334 HydrophobicContact CD2-CG 4.37Å; L242-S335 WeakPolarHBondContact CD1-OG 3.44Å
243	L	94.4	Very high	91.5	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-60.8	-41.3	175.4	-73.2	170	0	0	0	112.2	E239 A247 I254 M257 R258 L267	E239-L243 HydrophobicContact CG-CD1 4.22Å; E239-L243 WeakPolarHBondContact O-CG 3.28Å; E239-L243 PolarHBondContact O-N 2.82Å; L243-A247 VanDerWaalsContact O-CB 3.28Å; L243-A247 WeakPolarHBondContact O-CB 3.22Å; L243-A247 PolarHBondContact O-N 3.23Å; L243-I254 HydrophobicContact CB-CG2 4.44Å; L243-M257 HydrophobicContact CD2-CB 3.68Å; L243-M257 HydrophobicContact CD2-SD 4.31Å; L243-R258 HydrophobicContact CD1-CG 4.02Å; L243-L267 HydrophobicContact CD2-CD1 3.67Å; L243-L267 HydrophobicContact CD2-CD2 4.5Å; L243-L267 HydrophobicContact CG-CD1 4.49Å; L243-L267 HydrophobicContact CG-CD2 4.48Å
244	K	94	Very high	91.7	Very high	110 Å²	110	38.8 Å²	38.8	48%	0.478	26%	0.256	S	S	.	.	H	α-helix	trans	-66.2	-44.5	176.2	-75.8	177.4	178.4	-172.5	0	112.2	T240 I241 L242 L246 A247 A248 I254 M312	T240-K244 HydrophobicContact CG2-CD 4.45Å; T240-K244 VanDerWaalsContact O-CG 3.29Å; T240-K244 WeakPolarHBondContact O-CG 3.2Å; T240-K244 PolarHBondContact O-N 3.29Å; T240-K244 VanDerWaalsContact O-N 3.09Å; I241-K244 PolarHBondContact O-N 3.38Å; L242-K244 VanDerWaalsContact C-N 3.34Å; L242-K244 PolarHBondContact O-N 3.02Å; K244-L246 VanDerWaalsContact C-N 3.35Å; K244-A247 PolarHBondContact O-N 2.8Å; K244-A248 WeakPolarHBondContact O-CB 3.48Å; K244-A248 PolarHBondContact O-N 2.9Å; K244-I254 HydrophobicContact CG-CD1 4.12Å; K244-M312 HydrophobicContact CB-SD 4.2Å
245	A	94.4	Very high	92	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.2	-41.3	177.7	0	0	0	0	0	111.5	I241 L242 A248 T249 M312 I315 L319	I241-A245 WeakPolarHBondContact O-CB 3.38Å; I241-A245 PolarHBondContact O-N 2.95Å; L242-A245 PolarHBondContact O-N 3.45Å; A245-A248 PolarHBondContact O-N 3.07Å; A245-T249 WeakPolarHBondContact O-CB 3.48Å; A245-T249 PolarHBondContact O-N 2.82Å; A245-T249 PolarHBondContact O-OG1 2.98Å; A245-M312 HydrophobicContact CB-CG 4.04Å; A245-I315 HydrophobicContact CB-CB 4.2Å; A245-I315 HydrophobicContact CB-CG2 3.63Å; A245-L319 HydrophobicContact CB-CD1 4.32Å
246	L	93.6	Very high	92	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-67	-42.7	176.2	-171.8	63	0	0	0	111.4	L242 K244 A248 T249 T250 M257 L267 A271 L319	L242-L246 VanDerWaalsContact O-CB 3.25Å; L242-L246 WeakPolarHBondContact O-CB 3.48Å; L242-L246 PolarHBondContact O-N 3.24Å; K244-L246 VanDerWaalsContact C-N 3.35Å; L246-A248 PolarHBondContact O-N 3.27Å; L246-T249 PolarHBondContact O-N 3.42Å; L246-T250 HydrophobicContact CD1-CG2 3.62Å; L246-T250 HydrophobicContact CG-CG2 4.15Å; L246-T250 WeakPolarHBondContact O-CB 3.45Å; L246-T250 VanDerWaalsContact O-CG2 3.31Å; L246-T250 WeakPolarHBondContact O-CG2 3.24Å; L246-T250 PolarHBondContact O-N 3.5Å; L246-T250 PolarHBondContact O-OG1 2.7Å; L246-M257 HydrophobicContact CB-SD 4.1Å; L246-M257 HydrophobicContact CD2-SD 3.49Å; L246-M257 WeakPolarHBondContact CD2-SD 3.24Å; L246-M257 HydrophobicContact CG-SD 3.72Å; L246-L267 HydrophobicContact CD2-CD1 4.43Å; L246-A271 HydrophobicContact CD1-CB 3.91Å; L246-A271 HydrophobicContact CD2-CB 3.6Å; L246-A271 HydrophobicContact CG-CB 4.45Å; L246-L319 HydrophobicContact CD1-CD1 4.41Å
247	A	93.9	Very high	92.3	Very high	19 Å²	19	44.5 Å²	44.5	16%	0.157	27%	0.272	C	S	.	.	H	α-helix	trans	-58.2	-47.5	172.7	0	0	0	0	0	111.6	L243 K244 T249 T250 G251 V252 I254 M257	L243-A247 VanDerWaalsContact O-CB 3.28Å; L243-A247 WeakPolarHBondContact O-CB 3.22Å; L243-A247 PolarHBondContact O-N 3.23Å; K244-A247 PolarHBondContact O-N 2.8Å; A247-T249 PolarHBondContact O-N 2.98Å; A247-T250 PolarHBondContact O-N 3.24Å; A247-G251 WeakPolarHBondContact O-CA 3.31Å; A247-G251 PolarHBondContact O-N 3.31Å; A247-V252 WeakPolarHBondContact CB-O 3.01Å; A247-I254 HydrophobicContact CB-CD1 4.48Å; A247-I254 HydrophobicContact CB-CG1 3.86Å; A247-M257 HydrophobicContact CB-CE 3.65Å
248	A	91.7	Very high	92.4	Very high	42 Å²	42	49.6 Å²	49.6	35%	0.347	29%	0.289	S	S	.	.	H	α-helix	trans	-66	-26.1	179.3	0	0	0	0	0	113.3	K244 A245 L246 R316	K244-A248 WeakPolarHBondContact O-CB 3.48Å; K244-A248 PolarHBondContact O-N 2.9Å; A245-A248 PolarHBondContact O-N 3.07Å; L246-A248 PolarHBondContact O-N 3.27Å; A248-R316 PolarHBondContact O-NH2 3.21Å; A248-R316 VanDerWaalsContact O-NH2 3.14Å
249	T	91.8	Very high	92.5	Very high	24 Å²	24	51.5 Å²	51.5	15%	0.147	30%	0.296	C	S	.	.	H	α-helix	trans	-85.9	-39.9	177.7	-54.9	0	0	0	0	112	A245 L246 A247 L319 V320	A245-T249 WeakPolarHBondContact O-CB 3.48Å; A245-T249 PolarHBondContact O-N 2.82Å; A245-T249 PolarHBondContact O-OG1 2.98Å; L246-T249 PolarHBondContact O-N 3.42Å; A247-T249 PolarHBondContact O-N 2.98Å; T249-L319 HydrophobicContact CG2-CB 3.89Å; T249-V320 HydrophobicContact CG2-CG2 3.85Å
250	T	91.1	Very high	92.4	Very high	12 Å²	12	48.2 Å²	48.2	7%	0.074	28%	0.283	C	S	.	.	H	α-helix	trans	-101.1	-18.8	-169.3	63.9	0	0	0	0	113.6	L246 A247 V252 I274 R275 Q278	L246-T250 HydrophobicContact CD1-CG2 3.62Å; L246-T250 HydrophobicContact CG-CG2 4.15Å; L246-T250 WeakPolarHBondContact O-CB 3.45Å; L246-T250 VanDerWaalsContact O-CG2 3.31Å; L246-T250 WeakPolarHBondContact O-CG2 3.24Å; L246-T250 PolarHBondContact O-N 3.5Å; L246-T250 PolarHBondContact O-OG1 2.7Å; A247-T250 PolarHBondContact O-N 3.24Å; T250-V252 PolarHBondContact O-N 3.19Å; T250-V252 PolarHBondContact OG1-N 3.32Å; T250-I274 HydrophobicContact CG2-CG2 3.68Å; T250-R275 HydrophobicContact CG2-CG 4.08Å; T250-Q278 PolarHBondContact O-NE2 3.39Å
251	G	91.2	Very high	92.3	Very high	71 Å²	71	45.7 Å²	45.7	73%	0.732	27%	0.267	S	S	*	.			trans	74.4	0.3	-171.5	0	0	0	0	0	114.3	A247	A247-G251 WeakPolarHBondContact O-CA 3.31Å; A247-G251 PolarHBondContact O-N 3.31Å
252	V	91.9	Very high	92.1	Very high	38 Å²	38	52.3 Å²	52.3	23%	0.23	29%	0.294	C	S	.	.			trans	-77.1	138.2	179.4	178.8	0	0	0	0	110.9	A247 T250 H256 M257 I274	A247-V252 WeakPolarHBondContact CB-O 3.01Å; T250-V252 PolarHBondContact O-N 3.19Å; T250-V252 PolarHBondContact OG1-N 3.32Å; V252-H256 HydrophobicContact CG1-CB 4.3Å; V252-M257 HydrophobicContact CG1-CG 4.04Å; V252-M257 WeakPolarHBondContact O-CE 3.35Å; V252-I274 HydrophobicContact CB-CG2 4.45Å; V252-I274 HydrophobicContact CG1-CD1 4.33Å; V252-I274 HydrophobicContact CG2-CG2 3.62Å
253	G	93.1	Very high	91.4	Very high	48 Å²	48	59.2 Å²	59.2	50%	0.495	33%	0.327	S	S	.	.			trans	-63.3	139.8	177.1	0	0	0	0	0	113.2	E255 H256 M257	G253-E255 VanDerWaalsContact C-N 3.26Å; G253-E255 PolarHBondContact O-N 3.3Å; G253-H256 PolarHBondContact O-N 2.6Å; G253-M257 PolarHBondContact O-N 2.96Å
254	I	93.5	Very high	90.9	Very high	52 Å²	52	65 Å²	65	27%	0.267	35%	0.354	S	S	.	.	H	α-helix	trans	-60.3	-34.8	-178.2	-64.5	173.8	0	0	0	112.1	L243 K244 A247 M257 R258	L243-I254 HydrophobicContact CB-CG2 4.44Å; K244-I254 HydrophobicContact CG-CD1 4.12Å; A247-I254 HydrophobicContact CB-CD1 4.48Å; A247-I254 HydrophobicContact CB-CG1 3.86Å; I254-M257 HydrophobicContact CG1-CE 4.21Å; I254-M257 PolarHBondContact O-N 3.39Å; I254-R258 HydrophobicContact CG2-CG 4.37Å; I254-R258 WeakPolarHBondContact O-CG 3.26Å; I254-R258 PolarHBondContact O-N 2.89Å
255	E	92.8	Very high	90.5	Very high	159 Å²	159	61.4 Å²	61.4	74%	0.743	35%	0.347	S	S	*	.	H	α-helix	trans	-65.7	-42.4	-179.5	-65.8	179.7	167.2	0	0	112.2	G253 M257 R258 S259	G253-E255 VanDerWaalsContact C-N 3.26Å; G253-E255 PolarHBondContact O-N 3.3Å; E255-M257 VanDerWaalsContact C-N 3.34Å; E255-M257 PolarHBondContact O-N 2.85Å; E255-R258 PolarHBondContact O-N 2.81Å; E255-S259 PolarHBondContact O-N 3.26Å
256	H	91.1	Very high	90.4	Very high	110 Å²	110	62.2 Å²	62.2	51%	0.509	35%	0.352	S	S	.	.	H	α-helix	trans	-60.1	-45.7	174.6	-176.1	67.1	0	0	0	111	V252 G253 R258 S259 S260	V252-H256 HydrophobicContact CG1-CB 4.3Å; G253-H256 PolarHBondContact O-N 2.6Å; H256-R258 PolarHBondContact O-N 2.67Å; H256-S259 WeakPolarHBondContact O-CB 3.42Å; H256-S259 PolarHBondContact O-N 3.31Å; H256-S260 PolarHBondContact O-N 3.12Å; H256-S260 PolarHBondContact O-OG 2.69Å
257	M	92.1	Very high	90.3	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-62.4	-39.6	176.7	-71.4	-174.8	-76.2	0	0	113	L243 L246 A247 V252 G253 I254 E255 S260 L261 I274	L243-M257 HydrophobicContact CD2-CB 3.68Å; L243-M257 HydrophobicContact CD2-SD 4.31Å; L246-M257 HydrophobicContact CB-SD 4.1Å; L246-M257 HydrophobicContact CD2-SD 3.49Å; L246-M257 WeakPolarHBondContact CD2-SD 3.24Å; L246-M257 HydrophobicContact CG-SD 3.72Å; A247-M257 HydrophobicContact CB-CE 3.65Å; V252-M257 HydrophobicContact CG1-CG 4.04Å; V252-M257 WeakPolarHBondContact O-CE 3.35Å; G253-M257 PolarHBondContact O-N 2.96Å; I254-M257 HydrophobicContact CG1-CE 4.21Å; I254-M257 PolarHBondContact O-N 3.39Å; E255-M257 VanDerWaalsContact C-N 3.34Å; E255-M257 PolarHBondContact O-N 2.85Å; M257-S260 PolarHBondContact O-N 2.91Å; M257-L261 VanDerWaalsContact O-CB 3.23Å; M257-L261 WeakPolarHBondContact O-CB 3.44Å; M257-L261 PolarHBondContact O-N 3.48Å; M257-I274 HydrophobicContact CG-CD1 3.66Å; M257-I274 HydrophobicContact SD-CD1 4.06Å
258	R	91.9	Very high	90.4	Very high	125 Å²	125	61.7 Å²	61.7	47%	0.472	35%	0.347	S	S	.	.	H	α-helix	trans	-64.1	-40.3	174.9	-76.7	178.6	179.1	142.5	-1.4	112	L243 I254 E255 H256 L261 K262	L243-R258 HydrophobicContact CD1-CG 4.02Å; I254-R258 HydrophobicContact CG2-CG 4.37Å; I254-R258 WeakPolarHBondContact O-CG 3.26Å; I254-R258 PolarHBondContact O-N 2.89Å; E255-R258 PolarHBondContact O-N 2.81Å; H256-R258 PolarHBondContact O-N 2.67Å; R258-L261 PolarHBondContact O-N 3.13Å; R258-K262 WeakPolarHBondContact O-CB 3.35Å; R258-K262 PolarHBondContact O-N 2.83Å
259	S	90.4	Very high	90.5	Very high	77 Å²	77	61.1 Å²	61.1	54%	0.538	34%	0.342	S	S	.	.	H	α-helix	trans	-61.6	-49.9	175.5	-169.7	0	0	0	0	111.1	E255 H256 L261 K262 Q263	E255-S259 PolarHBondContact O-N 3.26Å; H256-S259 WeakPolarHBondContact O-CB 3.42Å; H256-S259 PolarHBondContact O-N 3.31Å; S259-L261 VanDerWaalsContact C-N 3.31Å; S259-L261 PolarHBondContact O-N 2.91Å; S259-K262 PolarHBondContact O-N 3.08Å; S259-Q263 PolarHBondContact O-N 3.34Å; S259-Q263 VanDerWaalsContact O-N 3.16Å
260	S	89.5	Confident	90.6	Very high	21 Å²	21	60.3 Å²	60.3	15%	0.147	34%	0.337	C	S	.	.	H	α-helix	trans	-61.9	-38.6	176	-58.5	0	0	0	0	112.2	H256 M257 Q263 H264	H256-S260 PolarHBondContact O-N 3.12Å; H256-S260 PolarHBondContact O-OG 2.69Å; M257-S260 PolarHBondContact O-N 2.91Å; S260-Q263 PolarHBondContact O-N 3.29Å; S260-H264 WeakPolarHBondContact O-CB 3.21Å; S260-H264 PolarHBondContact O-CD2 2.83Å; S260-H264 PolarHBondContact O-N 2.81Å
261	L	89.2	Confident	90.7	Very high	21 Å²	21	59.8 Å²	59.8	11%	0.11	33%	0.333	C	S	.	.	H	α-helix	trans	-65.9	-40.4	176.6	-179.7	59.9	0	0	0	112.1	E239 M257 R258 S259 Q263 G265 L267	E239-L261 HydrophobicContact CG-CD2 4.16Å; M257-L261 VanDerWaalsContact O-CB 3.23Å; M257-L261 WeakPolarHBondContact O-CB 3.44Å; M257-L261 PolarHBondContact O-N 3.48Å; R258-L261 PolarHBondContact O-N 3.13Å; S259-L261 VanDerWaalsContact C-N 3.31Å; S259-L261 PolarHBondContact O-N 2.91Å; L261-Q263 PolarHBondContact O-N 3.36Å; L261-G265 VanDerWaalsContact O-CA 3.31Å; L261-G265 WeakPolarHBondContact O-CA 3.32Å; L261-G265 PolarHBondContact O-N 3.06Å; L261-L267 HydrophobicContact CD1-CB 3.94Å
262	K	86.6	Confident	90.9	Very high	167 Å²	167	58.3 Å²	58.3	73%	0.726	31%	0.307	S	S	*	.	H	α-helix	trans	-61	-37.2	175.4	-170.7	179.4	-179.3	-174.6	0	111.2	R258 S259	R258-K262 WeakPolarHBondContact O-CB 3.35Å; R258-K262 PolarHBondContact O-N 2.83Å; S259-K262 PolarHBondContact O-N 3.08Å
263	Q	81.2	Confident	91	Very high	147 Å²	147	59.6 Å²	59.6	69%	0.687	32%	0.316	S	S	*	.	H	α-helix	trans	-75.7	-42.9	179.9	-172.7	177	6.7	0	0	113.3	S259 S260 L261	S259-Q263 PolarHBondContact O-N 3.34Å; S259-Q263 VanDerWaalsContact O-N 3.16Å; S260-Q263 PolarHBondContact O-N 3.29Å; L261-Q263 PolarHBondContact O-N 3.36Å
264	H	84.2	Confident	91	Very high	122 Å²	122	58.3 Å²	58.3	57%	0.565	30%	0.297	S	S	*	.	H	α-helix	trans	-100.1	-18.8	-172.5	-63.2	-63.8	0	0	0	114.5	S260 D266 V270	S260-H264 WeakPolarHBondContact O-CB 3.21Å; S260-H264 PolarHBondContact O-CD2 2.83Å; S260-H264 PolarHBondContact O-N 2.81Å; H264-D266 PolarHBondContact O-N 3.43Å; H264-D266 VanDerWaalsContact O-N 3.13Å; H264-V270 HydrophobicContact CB-CG2 4.35Å
265	G	86	Confident	90.8	Very high	34 Å²	34	57.3 Å²	57.3	35%	0.351	29%	0.29	S	S	.	.	S	Bend	trans	66.7	9.5	178.8	0	0	0	0	0	115.6	L261 R339	L261-G265 VanDerWaalsContact O-CA 3.31Å; L261-G265 WeakPolarHBondContact O-CA 3.32Å; L261-G265 PolarHBondContact O-N 3.06Å; G265-R339 VanDerWaalsContact O-CZ 3.28Å; G265-R339 PolarHBondContact O-NH1 2.79Å; G265-R339 PolarHBondContact O-NH2 2.82Å
266	D	90.6	Very high	90.6	Very high	17 Å²	17	54.2 Å²	54.2	9%	0.091	29%	0.286	C	S	.	.			trans	-140.2	108.6	-177.5	-172.3	-10	0	0	0	112.3	H264 G268 A269 V270 R332	H264-D266 PolarHBondContact O-N 3.43Å; H264-D266 VanDerWaalsContact O-N 3.13Å; D266-G268 VanDerWaalsContact C-N 3.3Å; D266-G268 PolarHBondContact O-N 3.38Å; D266-G268 PolarHBondContact OD1-N 2.96Å; D266-A269 HydrophobicContact CB-CB 4.27Å; D266-V270 WeakPolarHBondContact O-CG2 3.37Å; D266-V270 PolarHBondContact O-N 3.39Å; D266-R332 IonicContact OD1-NE 2.66Å; D266-R332 PolarHBondContact OD1-NE 2.86Å; D266-R332 IonicContact OD2-CZ 3.48Å; D266-R332 IonicContact OD2-NE 3.78Å; D266-R332 PolarHBondContact OD2-NE 3.15Å; D266-R332 IonicContact OD2-NH2 3.5Å; D266-R332 PolarHBondContact OD2-NH2 3.44Å
267	L	92.7	Very high	90.4	Very high	9 Å²	9	58.5 Å²	58.5	5%	0.047	30%	0.297	C	S	.	.	H	α-helix	trans	-68.6	-28.3	179.6	-174.5	58.5	0	0	0	112.6	E239 L242 L243 L246 L261 A271 I331	E239-L267 HydrophobicContact CG-CD2 4.27Å; L242-L267 HydrophobicContact CB-CD2 3.74Å; L242-L267 HydrophobicContact CD1-CD2 4.19Å; L243-L267 HydrophobicContact CD2-CD1 3.67Å; L243-L267 HydrophobicContact CD2-CD2 4.5Å; L243-L267 HydrophobicContact CG-CD1 4.49Å; L243-L267 HydrophobicContact CG-CD2 4.48Å; L246-L267 HydrophobicContact CD2-CD1 4.43Å; L261-L267 HydrophobicContact CD1-CB 3.94Å; L267-A271 VanDerWaalsContact O-CB 3.27Å; L267-A271 WeakPolarHBondContact O-CB 3.24Å; L267-A271 PolarHBondContact O-N 2.76Å; L267-I331 HydrophobicContact CB-CG2 4.07Å; L267-I331 HydrophobicContact CD2-CG2 4.11Å; L267-I331 HydrophobicContact CG-CG2 3.76Å
268	G	95.1	Very high	89.9	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-67.3	-47.2	179.3	0	0	0	0	0	112.1	D266 V270 A271 E272	D266-G268 VanDerWaalsContact C-N 3.3Å; D266-G268 PolarHBondContact O-N 3.38Å; D266-G268 PolarHBondContact OD1-N 2.96Å; G268-V270 VanDerWaalsContact C-N 3.34Å; G268-V270 PolarHBondContact O-N 2.64Å; G268-A271 PolarHBondContact O-N 2.77Å; G268-E272 PolarHBondContact O-N 3.35Å
269	A	93.6	Very high	89.1	Confident	30 Å²	30	65.2 Å²	65.2	25%	0.248	33%	0.331	C	S	.	.	H	α-helix	trans	-63.9	-39.4	176.5	0	0	0	0	0	112.2	D266 T273	D266-A269 HydrophobicContact CB-CB 4.27Å; A269-T273 WeakPolarHBondContact O-CB 3.47Å; A269-T273 PolarHBondContact O-N 3.03Å; A269-T273 PolarHBondContact O-OG1 3.15Å
270	V	93.8	Very high	88.1	Confident	7 Å²	7	65.9 Å²	65.9	4%	0.042	33%	0.328	C	S	.	.	H	α-helix	trans	-61.3	-45.9	172.8	172.1	0	0	0	0	110.7	H264 D266 G268 E272 T273 I274	H264-V270 HydrophobicContact CB-CG2 4.35Å; D266-V270 WeakPolarHBondContact O-CG2 3.37Å; D266-V270 PolarHBondContact O-N 3.39Å; G268-V270 VanDerWaalsContact C-N 3.34Å; G268-V270 PolarHBondContact O-N 2.64Å; V270-E272 PolarHBondContact O-N 2.86Å; V270-T273 PolarHBondContact O-N 3.17Å; V270-I274 HydrophobicContact CG1-CD1 3.84Å; V270-I274 WeakPolarHBondContact O-CG1 3.41Å; V270-I274 PolarHBondContact O-N 2.89Å
271	A	94.9	Very high	87.3	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-62.6	-43.5	179.8	0	0	0	0	0	112.6	L246 L267 G268 I274 R275 T327 I331	L246-A271 HydrophobicContact CD1-CB 3.91Å; L246-A271 HydrophobicContact CD2-CB 3.6Å; L246-A271 HydrophobicContact CG-CB 4.45Å; L267-A271 VanDerWaalsContact O-CB 3.27Å; L267-A271 WeakPolarHBondContact O-CB 3.24Å; L267-A271 PolarHBondContact O-N 2.76Å; G268-A271 PolarHBondContact O-N 2.77Å; A271-I274 PolarHBondContact O-N 2.95Å; A271-R275 VanDerWaalsContact O-CB 3.32Å; A271-R275 WeakPolarHBondContact O-CB 3.33Å; A271-R275 VanDerWaalsContact O-CG 3.29Å; A271-R275 WeakPolarHBondContact O-CG 3.33Å; A271-R275 PolarHBondContact O-N 3.29Å; A271-T327 HydrophobicContact CB-CG2 3.82Å; A271-I331 HydrophobicContact CB-CB 4.46Å; A271-I331 HydrophobicContact CB-CG1 3.84Å
272	E	95.4	Very high	86.7	Confident	40 Å²	40	77.2 Å²	77.2	19%	0.187	39%	0.394	C	S	.	.	H	α-helix	trans	-61.2	-46.4	175.1	177.8	-178.6	-126.1	0	0	112	G268 V270 I274 R275 S276 S325 K328	G268-E272 PolarHBondContact O-N 3.35Å; V270-E272 PolarHBondContact O-N 2.86Å; E272-I274 VanDerWaalsContact C-N 3.3Å; E272-I274 PolarHBondContact O-N 3.11Å; E272-R275 PolarHBondContact O-N 2.87Å; E272-S276 WeakPolarHBondContact O-CB 3.15Å; E272-S276 PolarHBondContact O-N 3.49Å; E272-S276 PolarHBondContact O-OG 3.1Å; E272-S325 VanDerWaalsContact OE1-CA 3.27Å; E272-S325 WeakPolarHBondContact OE1-CA 3.38Å; E272-S325 WeakPolarHBondContact OE1-CB 3.36Å; E272-K328 HydrophobicContact CB-CB 3.99Å; E272-K328 HydrophobicContact CG-CB 4.45Å; E272-K328 WeakPolarHBondContact OE2-CD 3.37Å
273	T	93.4	Very high	86	Confident	66 Å²	66	71.9 Å²	71.9	41%	0.405	38%	0.381	S	S	.	.	H	α-helix	trans	-62.2	-37.8	178.9	-59.4	0	0	0	0	112.1	A269 V270 S276 R277	A269-T273 WeakPolarHBondContact O-CB 3.47Å; A269-T273 PolarHBondContact O-N 3.03Å; A269-T273 PolarHBondContact O-OG1 3.15Å; V270-T273 PolarHBondContact O-N 3.17Å; T273-S276 PolarHBondContact O-OG 3.31Å; T273-S276 VanDerWaalsContact O-OG 3.06Å; T273-R277 WeakPolarHBondContact O-CG 3.32Å
274	I	92.3	Very high	86.3	Confident	20 Å²	20	67.4 Å²	67.4	10%	0.103	37%	0.365	C	S	.	.	H	α-helix	trans	-66.8	-47.7	175.2	-71	167.2	0	0	0	109.9	T250 V252 M257 V270 A271 E272 R277	T250-I274 HydrophobicContact CG2-CG2 3.68Å; V252-I274 HydrophobicContact CB-CG2 4.45Å; V252-I274 HydrophobicContact CG1-CD1 4.33Å; V252-I274 HydrophobicContact CG2-CG2 3.62Å; M257-I274 HydrophobicContact CG-CD1 3.66Å; M257-I274 HydrophobicContact SD-CD1 4.06Å; V270-I274 HydrophobicContact CG1-CD1 3.84Å; V270-I274 WeakPolarHBondContact O-CG1 3.41Å; V270-I274 PolarHBondContact O-N 2.89Å; A271-I274 PolarHBondContact O-N 2.95Å; E272-I274 VanDerWaalsContact C-N 3.3Å; E272-I274 PolarHBondContact O-N 3.11Å; I274-R277 PolarHBondContact O-N 3.02Å
275	R	90.1	Very high	86.7	Confident	32 Å²	32	70 Å²	70	12%	0.121	38%	0.375	C	S	.	.	H	α-helix	trans	-68.4	-34.7	-175.7	-78.4	-91	-63.8	167.4	10.8	113.2	T250 A271 E272 R277 Q278 L319 C322 T327	T250-R275 HydrophobicContact CG2-CG 4.08Å; A271-R275 VanDerWaalsContact O-CB 3.32Å; A271-R275 WeakPolarHBondContact O-CB 3.33Å; A271-R275 VanDerWaalsContact O-CG 3.29Å; A271-R275 WeakPolarHBondContact O-CG 3.33Å; A271-R275 PolarHBondContact O-N 3.29Å; E272-R275 PolarHBondContact O-N 2.87Å; R275-R277 PolarHBondContact O-N 3.43Å; R275-Q278 PolarHBondContact O-N 3.33Å; R275-Q278 VanDerWaalsContact O-N 3.08Å; R275-L319 PolarHBondContact NH1-O 3.04Å; R275-L319 VanDerWaalsContact NH1-O 3.07Å; R275-L319 PolarHBondContact NH2-O 3.33Å; R275-L319 VanDerWaalsContact NH2-O 3.1Å; R275-C322 VanDerWaalsContact NH2-C 3.3Å; R275-C322 PolarHBondContact NH2-O 3.45Å; R275-T327 HydrophobicContact CB-CG2 4.29Å; R275-T327 HydrophobicContact CG-CG2 3.75Å; R275-T327 PolarHBondContact NE-OG1 3.42Å
276	S	88.9	Confident	87.1	Confident	94 Å²	94	71.5 Å²	71.5	66%	0.657	38%	0.378	S	S	*	.	H	α-helix	trans	-64.6	-20.6	178.1	67.2	0	0	0	0	113.5	E272 T273	E272-S276 WeakPolarHBondContact O-CB 3.15Å; E272-S276 PolarHBondContact O-N 3.49Å; E272-S276 PolarHBondContact O-OG 3.1Å; T273-S276 PolarHBondContact O-OG 3.31Å; T273-S276 VanDerWaalsContact O-OG 3.06Å
277	R	87.1	Confident	87.5	Confident	199 Å²	199	71 Å²	71	75%	0.751	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-10.5	176.3	-62.8	175	-177.2	-169.9	0.7	113.5	T273 I274 R275	T273-R277 WeakPolarHBondContact O-CG 3.32Å; I274-R277 PolarHBondContact O-N 3.02Å; R275-R277 PolarHBondContact O-N 3.43Å
278	Q	81	Confident	87.7	Confident	69 Å²	69	72.2 Å²	72.2	32%	0.322	38%	0.383	S	S	.	.	S	Bend	trans	-94.2	135.6	-176.2	-56	-169	-75.7	0	0	111.4	T250 R275	T250-Q278 PolarHBondContact O-NE2 3.39Å; R275-Q278 PolarHBondContact O-N 3.33Å; R275-Q278 VanDerWaalsContact O-N 3.08Å
279	K	74.5	Confident	87.9	Confident	197 Å²	197	72.2 Å²	72.2	86%	0.857	38%	0.383	S	S	*	.			trans	-79.8	125.7	169.3	-67.8	-173.3	179.6	-177.4	0	109.6	L281	K279-L281 PolarHBondContact O-N 3.29Å
280	I	70.4	Confident	88.1	Confident	92 Å²	92	73.1 Å²	73.1	47%	0.472	39%	0.387	S	S	.	.			trans	-80.1	105.7	175.8	-55.8	174.7	0	0	0	108.3	A283	I280-A283 HydrophobicContact CG2-CB 3.71Å
281	L	72.3	Confident	88.3	Confident	177 Å²	177	75 Å²	75	93%	0.927	40%	0.401	S	S	*	.	S	Bend	trans	-73.5	-30.7	-177.3	-74.1	158.5	0	0	0	113.1	K279	K279-L281 PolarHBondContact O-N 3.29Å
282	S	76.5	Confident	88.5	Confident	102 Å²	102	75 Å²	75	71%	0.713	40%	0.401	S	S	*	.	S	Bend	trans	-156.4	101.2	175.3	58.6	0	0	0	0	109.5	P284	S282-P284 WeakPolarHBondContact O-CD 3.18Å
283	A	71.7	Confident	88.6	Confident	56 Å²	56	73.7 Å²	73.7	46%	0.463	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-75.6	127.9	-177.4	0	0	0	0	0	110.7	I280	I280-A283 HydrophobicContact CG2-CB 3.71Å
284	P	88.9	Confident	88.9	Confident	52 Å²	52	73.5 Å²	73.5	34%	0.338	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-60.3	173.2	166.6	-20.5	31.6	0	0	0	112.6	S282 V320 A321	S282-P284 WeakPolarHBondContact O-CD 3.18Å; P284-V320 HydrophobicContact CG-CG1 3.79Å; P284-A321 HydrophobicContact CB-CB 4Å; P284-A321 HydrophobicContact CG-CB 4.16Å
285	K	92.2	Very high	89.1	Confident	178 Å²	178	74.9 Å²	74.9	77%	0.774	40%	0.401	S	S	*	.	S	Bend	trans	-49.7	134.5	171.7	-173.1	178.4	178.9	178.3	0	109.9
286	P	94.7	Very high	89.5	Confident	64 Å²	64	73.6 Å²	73.6	42%	0.416	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-51.1	145.1	175	-24	30.4	0	0	0	112.4
287	L	97.5	Very high	89.9	Confident	7 Å²	7	72.6 Å²	72.6	4%	0.037	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-71.4	140.7	176.2	-66.3	176.4	0	0	0	110.4	Y177 V292 L318 A321 I330	Y177-L287 HydrophobicContact CD1-CD1 4.48Å; Y177-L287 HydrophobicContact CG-CB 4.49Å; Y177-L287 PolarHBondContact N-O 3.29Å; L287-V292 HydrophobicContact CB-CG2 3.9Å; L287-V292 HydrophobicContact CD1-CG2 4.26Å; L287-V292 HydrophobicContact CD2-CG2 4.12Å; L287-V292 HydrophobicContact CG-CG2 4.33Å; L287-L318 HydrophobicContact CD2-CD2 3.85Å; L287-A321 HydrophobicContact CD1-CB 4.48Å; L287-A321 HydrophobicContact CD2-CB 3.75Å; L287-A321 HydrophobicContact CG-CB 3.95Å; L287-I330 HydrophobicContact CD1-CD1 3.5Å
288	T	98.4	Very high	90.3	Very high	34 Å²	34	66.5 Å²	66.5	21%	0.209	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-121.3	158.5	172.8	72.8	0	0	0	0	110.4	S174 V175 S290 S291 V292	S174-T288 WeakPolarHBondContact OG-CB 3.26Å; S174-T288 PolarHBondContact OG-OG1 3.12Å; V175-T288 CarbonylContact O-C 3.53Å; V175-T288 WeakPolarHBondContact O-CA 3.47Å; T288-S290 PolarHBondContact O-N 3.24Å; T288-S291 PolarHBondContact O-N 3.32Å; T288-S291 PolarHBondContact OG1-N 3.28Å; T288-V292 WeakPolarHBondContact O-CG2 3.43Å; T288-V292 PolarHBondContact O-N 3.33Å
289	I	98.6	Very high	91.1	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-55.5	-51.1	178.7	-69.4	-69	0	0	0	111	V175 Y177 L180 D214 S217 L221 S291 V292 F293	V175-I289 HydrophobicContact CB-CB 4.26Å; V175-I289 HydrophobicContact CB-CG1 3.68Å; V175-I289 HydrophobicContact CG1-CG1 3.93Å; V175-I289 WeakPolarHBondContact O-CG1 3.22Å; V175-I289 PolarHBondContact O-N 3.13Å; Y177-I289 HydrophobicContact CD2-CD1 3.99Å; L180-I289 HydrophobicContact CB-CD1 3.86Å; L180-I289 HydrophobicContact CD2-CD1 3.42Å; L180-I289 VanDerWaalsContact CD2-CD1 3.42Å; L180-I289 HydrophobicContact CG-CD1 4.25Å; D214-I289 HydrophobicContact CB-CB 4.37Å; D214-I289 HydrophobicContact CB-CG2 4.04Å; S217-I289 VanDerWaalsContact CB-CG2 3.49Å; L221-I289 HydrophobicContact CD1-CD1 3.64Å; L221-I289 HydrophobicContact CD1-CG2 4.17Å; I289-S291 VanDerWaalsContact C-N 3.33Å; I289-S291 PolarHBondContact O-N 2.86Å; I289-V292 PolarHBondContact O-N 2.94Å; I289-F293 WeakPolarHBondContact O-CB 3.02Å; I289-F293 PolarHBondContact O-N 3.28Å
290	S	98.1	Very high	92	Very high	49 Å²	49	54.7 Å²	54.7	34%	0.343	31%	0.314	S	S	.	.	H	α-helix	trans	-53.5	-47	176.9	-80	0	0	0	0	112.4	S174 D214 T288 S294	S174-S290 WeakPolarHBondContact OG-CB 3.21Å; S174-S290 PolarHBondContact OG-N 2.9Å; S174-S290 PolarHBondContact OG-OG 3.39Å; D214-S290 PolarHBondContact OD1-N 3.38Å; D214-S290 PolarHBondContact OD1-OG 2.73Å; T288-S290 PolarHBondContact O-N 3.24Å; S290-S294 VanDerWaalsContact O-CB 3.28Å; S290-S294 WeakPolarHBondContact O-CB 3.2Å; S290-S294 PolarHBondContact O-N 2.99Å
291	S	98.2	Very high	93.1	Very high	46 Å²	46	54.4 Å²	54.4	32%	0.322	32%	0.32	S	S	.	.	H	α-helix	trans	-70	-42.8	-178.5	179.7	0	0	0	0	112.8	T288 I289 K295	T288-S291 PolarHBondContact O-N 3.32Å; T288-S291 PolarHBondContact OG1-N 3.28Å; I289-S291 VanDerWaalsContact C-N 3.33Å; I289-S291 PolarHBondContact O-N 2.86Å; S291-K295 WeakPolarHBondContact O-CB 3.44Å; S291-K295 WeakPolarHBondContact O-CG 3.05Å; S291-K295 PolarHBondContact O-N 3.03Å; S291-K295 VanDerWaalsContact O-N 3.07Å
292	V	98.5	Very high	94.1	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.006	29%	0.288	C	S	.	.	H	α-helix	trans	-66.5	-47.7	179.8	172.7	0	0	0	0	110	Y177 L287 T288 I289 S294 K295 L296 L318	Y177-V292 HydrophobicContact CD2-CB 3.97Å; Y177-V292 HydrophobicContact CD2-CG1 3.89Å; Y177-V292 HydrophobicContact CD2-CG2 3.87Å; Y177-V292 HydrophobicContact CE2-CB 4.38Å; Y177-V292 HydrophobicContact CE2-CG1 3.77Å; Y177-V292 HydrophobicContact CE2-CG2 4.5Å; Y177-V292 HydrophobicContact CG-CB 4.49Å; Y177-V292 HydrophobicContact CG-CG2 3.88Å; L287-V292 HydrophobicContact CB-CG2 3.9Å; L287-V292 HydrophobicContact CD1-CG2 4.26Å; L287-V292 HydrophobicContact CD2-CG2 4.12Å; L287-V292 HydrophobicContact CG-CG2 4.33Å; T288-V292 WeakPolarHBondContact O-CG2 3.43Å; T288-V292 PolarHBondContact O-N 3.33Å; I289-V292 PolarHBondContact O-N 2.94Å; V292-S294 PolarHBondContact O-N 3.28Å; V292-K295 PolarHBondContact O-N 3.31Å; V292-L296 HydrophobicContact CG1-CD1 4.01Å; V292-L296 HydrophobicContact CG1-CG 4.35Å; V292-L296 VanDerWaalsContact O-CG 3.31Å; V292-L296 WeakPolarHBondContact O-CG 3.31Å; V292-L296 PolarHBondContact O-N 3.48Å; V292-L318 HydrophobicContact CG2-CD2 4.12Å
293	F	98.3	Very high	94.6	Very high	13 Å²	13	48.9 Å²	48.9	6%	0.057	29%	0.291	C	S	.	.	H	α-helix	trans	-62.5	-43.6	-179.3	-166.4	-109.5	0	0	0	111.9	S217 Y220 L221 L226 I289 L296 K297	S217-F293 VanDerWaalsContact OG-CD1 3.3Å; S217-F293 WeakPolarHBondContact OG-CD1 3.36Å; Y220-F293 AromaticContact CD2-CZ 3.95Å; Y220-F293 HydrophobicContact CD2-CZ 3.95Å; Y220-F293 HydrophobicContact CG-CE2 4.5Å; Y220-F293 HydrophobicContact CG-CZ 4.25Å; L221-F293 HydrophobicContact CD1-CD2 4.31Å; L221-F293 HydrophobicContact CD2-CD2 4.01Å; L221-F293 HydrophobicContact CG-CD2 3.87Å; L221-F293 HydrophobicContact CG-CE2 4.46Å; L226-F293 HydrophobicContact CD2-CD2 4.09Å; L226-F293 HydrophobicContact CD2-CE2 3.86Å; L226-F293 WeakPolarHBondContact O-CZ 3.5Å; I289-F293 WeakPolarHBondContact O-CB 3.02Å; I289-F293 PolarHBondContact O-N 3.28Å; F293-L296 PolarHBondContact O-N 3.48Å; F293-K297 HydrophobicContact CD1-CD 4.29Å; F293-K297 HydrophobicContact CE1-CD 3.98Å; F293-K297 HydrophobicContact CE1-CG 4.47Å; F293-K297 PolarHBondContact O-N 3.27Å
294	S	98.1	Very high	95.4	Very high	62 Å²	62	48.9 Å²	48.9	43%	0.434	30%	0.297	S	S	.	.	H	α-helix	trans	-58.3	-49.1	173.5	-171.9	0	0	0	0	111.9	S290 V292 L296 K297 D298	S290-S294 VanDerWaalsContact O-CB 3.28Å; S290-S294 WeakPolarHBondContact O-CB 3.2Å; S290-S294 PolarHBondContact O-N 2.99Å; V292-S294 PolarHBondContact O-N 3.28Å; S294-L296 VanDerWaalsContact C-N 3.29Å; S294-L296 PolarHBondContact O-N 2.92Å; S294-K297 WeakPolarHBondContact O-CB 3.35Å; S294-K297 PolarHBondContact O-N 3.43Å; S294-K297 VanDerWaalsContact O-N 3.12Å; S294-D298 VanDerWaalsContact O-CG 3.23Å; S294-D298 PolarHBondContact O-N 3.41Å
295	K	98.1	Very high	95.1	Very high	49 Å²	49	54.7 Å²	54.7	21%	0.213	33%	0.325	C	S	.	.	H	α-helix	trans	-62.2	-35.2	178.5	-77.1	178	175.3	-174.1	0	112.8	S291 V292 D298 I299 I314 S317 L318	S291-K295 WeakPolarHBondContact O-CB 3.44Å; S291-K295 WeakPolarHBondContact O-CG 3.05Å; S291-K295 PolarHBondContact O-N 3.03Å; S291-K295 VanDerWaalsContact O-N 3.07Å; V292-K295 PolarHBondContact O-N 3.31Å; K295-D298 PolarHBondContact O-N 3.29Å; K295-I299 VanDerWaalsContact O-CG1 3.28Å; K295-I299 WeakPolarHBondContact O-CG1 2.94Å; K295-I299 PolarHBondContact O-N 3Å; K295-I314 HydrophobicContact CB-CG2 3.83Å; K295-I314 HydrophobicContact CD-CG2 4.2Å; K295-I314 HydrophobicContact CG-CG2 4.06Å; K295-S317 PolarHBondContact NZ-OG 3.34Å; K295-L318 HydrophobicContact CB-CD1 4.25Å; K295-L318 HydrophobicContact CB-CD2 4.43Å; K295-L318 HydrophobicContact CD-CD1 4.44Å; K295-L318 HydrophobicContact CD-CD2 3.51Å; K295-L318 HydrophobicContact CD-CG 3.89Å
296	L	97.8	Very high	94.9	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-68.1	-39.6	174.4	-68.3	174.7	0	0	0	111.7	L221 L226 L235 V292 F293 S294 I299 A300 L334	L221-L296 HydrophobicContact CD2-CD1 3.77Å; L226-L296 HydrophobicContact CD1-CB 4.2Å; L226-L296 WeakPolarHBondContact CD1-O 3.09Å; L226-L296 HydrophobicContact CD2-CB 3.6Å; L226-L296 HydrophobicContact CD2-CD1 4.15Å; L235-L296 HydrophobicContact CD2-CB 4.18Å; L235-L296 HydrophobicContact CD2-CD2 3.96Å; L235-L296 WeakPolarHBondContact CD2-O 3.36Å; V292-L296 HydrophobicContact CG1-CD1 4.01Å; V292-L296 HydrophobicContact CG1-CG 4.35Å; V292-L296 VanDerWaalsContact O-CG 3.31Å; V292-L296 WeakPolarHBondContact O-CG 3.31Å; V292-L296 PolarHBondContact O-N 3.48Å; F293-L296 PolarHBondContact O-N 3.48Å; S294-L296 VanDerWaalsContact C-N 3.29Å; S294-L296 PolarHBondContact O-N 2.92Å; L296-I299 PolarHBondContact O-N 3.42Å; L296-A300 PolarHBondContact O-N 2.84Å; L296-L334 HydrophobicContact CD2-CD2 3.55Å; L296-L334 HydrophobicContact CD2-CG 4.16Å
297	K	96.8	Very high	94.7	Very high	74 Å²	74	47 Å²	47	32%	0.322	30%	0.295	S	S	.	.	H	α-helix	trans	-63.2	-40.1	171.8	-75	-168.1	163	-173.7	0	112.4	L226 M233 F293 S294 I299 A300 S301	L226-K297 HydrophobicContact CB-CG 4.36Å; L226-K297 WeakPolarHBondContact O-CE 3.5Å; M233-K297 HydrophobicContact SD-CB 4.39Å; M233-K297 HydrophobicContact SD-CG 3.91Å; F293-K297 HydrophobicContact CD1-CD 4.29Å; F293-K297 HydrophobicContact CE1-CD 3.98Å; F293-K297 HydrophobicContact CE1-CG 4.47Å; F293-K297 PolarHBondContact O-N 3.27Å; S294-K297 WeakPolarHBondContact O-CB 3.35Å; S294-K297 PolarHBondContact O-N 3.43Å; S294-K297 VanDerWaalsContact O-N 3.12Å; K297-I299 PolarHBondContact O-N 2.97Å; K297-A300 PolarHBondContact O-N 3.46Å; K297-S301 PolarHBondContact O-N 3.44Å; K297-S301 PolarHBondContact O-OG 3.28Å; K297-S301 VanDerWaalsContact O-OG 3.06Å
298	D	96.6	Very high	94.4	Very high	70 Å²	70	50.6 Å²	50.6	37%	0.374	31%	0.312	S	S	.	.	H	α-helix	trans	-61.4	-45.3	174.3	-62.8	-25.9	0	0	0	110.9	S294 K295 A300 S301 M302 I314	S294-D298 VanDerWaalsContact O-CG 3.23Å; S294-D298 PolarHBondContact O-N 3.41Å; K295-D298 PolarHBondContact O-N 3.29Å; D298-A300 VanDerWaalsContact C-N 3.3Å; D298-A300 PolarHBondContact O-N 3.37Å; D298-S301 PolarHBondContact O-N 2.9Å; D298-S301 PolarHBondContact O-OG 3.26Å; D298-S301 VanDerWaalsContact O-OG 3.06Å; D298-M302 VanDerWaalsContact O-CG 3.25Å; D298-M302 WeakPolarHBondContact O-CG 3.44Å; D298-M302 PolarHBondContact O-N 3.36Å; D298-M302 VanDerWaalsContact O-N 3.13Å; D298-I314 HydrophobicContact CB-CD1 4.26Å
299	I	96.1	Very high	94	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-58.9	-42	175.3	-73.5	167.1	0	0	0	111.3	L235 V237 K295 L296 K297 K311 I314 I315 L334	L235-I299 HydrophobicContact CD2-CB 4.27Å; L235-I299 HydrophobicContact CD2-CG2 3.85Å; V237-I299 HydrophobicContact CG2-CG2 3.58Å; K295-I299 VanDerWaalsContact O-CG1 3.28Å; K295-I299 WeakPolarHBondContact O-CG1 2.94Å; K295-I299 PolarHBondContact O-N 3Å; L296-I299 PolarHBondContact O-N 3.42Å; K297-I299 PolarHBondContact O-N 2.97Å; I299-K311 HydrophobicContact CG2-CB 4.48Å; I299-K311 HydrophobicContact CG2-CD 4.07Å; I299-K311 HydrophobicContact CG2-CG 4.03Å; I299-K311 WeakPolarHBondContact O-CE 3.24Å; I299-K311 PolarHBondContact O-NZ 2.82Å; I299-I314 HydrophobicContact CD1-CB 4.15Å; I299-I314 HydrophobicContact CD1-CG2 3.73Å; I299-I314 HydrophobicContact CG1-CB 4.1Å; I299-I314 HydrophobicContact CG1-CD1 4.17Å; I299-I314 HydrophobicContact CG1-CG2 3.93Å; I299-I315 HydrophobicContact CD1-CG1 3.81Å; I299-L334 HydrophobicContact CD1-CD2 3.92Å
300	A	94.1	Very high	93.8	Very high	18 Å²	18	60.2 Å²	60.2	15%	0.149	36%	0.356	C	S	.	.	H	α-helix	trans	-70.5	-38	-178.2	0	0	0	0	0	112.9	L226 M233 E234 L296 K297 D298	L226-A300 HydrophobicContact CD1-CB 3.71Å; M233-A300 HydrophobicContact CG-CB 3.42Å; M233-A300 VanDerWaalsContact CG-CB 3.42Å; M233-A300 HydrophobicContact SD-CB 3.89Å; E234-A300 WeakPolarHBondContact O-CA 3.47Å; E234-A300 WeakPolarHBondContact O-CB 3.3Å; L296-A300 PolarHBondContact O-N 2.84Å; K297-A300 PolarHBondContact O-N 3.46Å; D298-A300 VanDerWaalsContact C-N 3.3Å; D298-A300 PolarHBondContact O-N 3.37Å
301	S	93.6	Very high	93.6	Very high	86 Å²	86	58.4 Å²	58.4	60%	0.601	34%	0.342	S	S	*	.	H	α-helix	trans	-76.1	-20.4	179.4	58.8	0	0	0	0	114.1	K297 D298 S303	K297-S301 PolarHBondContact O-N 3.44Å; K297-S301 PolarHBondContact O-OG 3.28Å; K297-S301 VanDerWaalsContact O-OG 3.06Å; D298-S301 PolarHBondContact O-N 2.9Å; D298-S301 PolarHBondContact O-OG 3.26Å; D298-S301 VanDerWaalsContact O-OG 3.06Å; S301-S303 PolarHBondContact O-N 3.44Å
302	M	93.1	Very high	93.4	Very high	54 Å²	54	58.1 Å²	58.1	27%	0.266	34%	0.336	S	S	.	.			trans	-65.7	122.6	178.8	-82.3	180	-179.6	0	0	113.6	D298 A307 K310 K311 I314	D298-M302 VanDerWaalsContact O-CG 3.25Å; D298-M302 WeakPolarHBondContact O-CG 3.44Å; D298-M302 PolarHBondContact O-N 3.36Å; D298-M302 VanDerWaalsContact O-N 3.13Å; M302-A307 HydrophobicContact CB-CB 4.31Å; M302-K310 HydrophobicContact CE-CB 3.92Å; M302-K310 HydrophobicContact CE-CD 4.42Å; M302-K310 HydrophobicContact SD-CB 3.62Å; M302-K311 HydrophobicContact CB-CG 4.27Å; M302-K311 WeakPolarHBondContact O-CE 3.43Å; M302-K311 PolarHBondContact O-NZ 3.49Å; M302-K311 HydrophobicContact SD-CG 4.03Å; M302-I314 HydrophobicContact CE-CD1 3.46Å; M302-I314 VanDerWaalsContact CE-CD1 3.46Å; M302-I314 HydrophobicContact SD-CD1 4.06Å
303	S	88.4	Confident	93.2	Very high	109 Å²	109	62.9 Å²	62.9	76%	0.762	36%	0.358	S	S	*	.			trans	-131.3	168	175.4	68.6	0	0	0	0	112.3	S301	S301-S303 PolarHBondContact O-N 3.44Å
304	G	87.2	Confident	93.1	Very high	57 Å²	57	63.7 Å²	63.7	59%	0.588	36%	0.363	S	S	*	.	S	Bend	trans	94.6	178.3	179.5	0	0	0	0	0	116	S306 A307	G304-S306 PolarHBondContact O-N 2.97Å; G304-A307 WeakPolarHBondContact O-CB 3.43Å; G304-A307 PolarHBondContact O-N 2.69Å; G304-A307 VanDerWaalsContact O-N 3.14Å
305	N	84	Confident	93	Very high	174 Å²	174	60.7 Å²	60.7	93%	0.93	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-38.2	-167.6	-70.9	-16.8	0	0	0	114.3
306	S	87.2	Confident	92.9	Very high	74 Å²	74	63.3 Å²	63.3	52%	0.517	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	1	179.7	-50.2	0	0	0	0	113.6	G304 Q308 N309 K310	G304-S306 PolarHBondContact O-N 2.97Å; S306-Q308 VanDerWaalsContact C-N 3.31Å; S306-Q308 PolarHBondContact O-N 3.33Å; S306-N309 PolarHBondContact O-N 3.03Å; S306-K310 PolarHBondContact O-N 2.95Å
307	A	90.4	Very high	92.7	Very high	5 Å²	5	65.8 Å²	65.8	4%	0.041	37%	0.368	C	S	.	.	H	α-helix	trans	-60.2	-40.3	-173.9	0	0	0	0	0	112.3	M302 G304 N309 K310 K311	M302-A307 HydrophobicContact CB-CB 4.31Å; G304-A307 WeakPolarHBondContact O-CB 3.43Å; G304-A307 PolarHBondContact O-N 2.69Å; G304-A307 VanDerWaalsContact O-N 3.14Å; A307-N309 VanDerWaalsContact C-N 3.34Å; A307-N309 PolarHBondContact O-N 3.27Å; A307-K310 PolarHBondContact O-N 3Å; A307-K311 VanDerWaalsContact O-CG 3.27Å; A307-K311 WeakPolarHBondContact O-CG 3.42Å; A307-K311 PolarHBondContact O-N 3.12Å
308	Q	90.5	Very high	92.7	Very high	84 Å²	84	62.2 Å²	62.2	39%	0.393	35%	0.353	S	S	.	.	H	α-helix	trans	-64.6	-37.9	-176	-59.7	-57.6	-22	0	0	112.7	I241 S306 M312	I241-Q308 HydrophobicContact CD1-CB 4.4Å; I241-Q308 HydrophobicContact CD1-CG 4.48Å; S306-Q308 VanDerWaalsContact C-N 3.31Å; S306-Q308 PolarHBondContact O-N 3.33Å; Q308-M312 WeakPolarHBondContact O-CB 3.34Å; Q308-M312 PolarHBondContact O-N 2.8Å
309	N	91.4	Very high	92.6	Very high	109 Å²	109	58.9 Å²	58.9	58%	0.583	34%	0.335	S	S	*	.	H	α-helix	trans	-68.8	-43.1	175.4	-68.5	-13.2	0	0	0	110.8	S306 A307 K311 M312 E313	S306-N309 PolarHBondContact O-N 3.03Å; A307-N309 VanDerWaalsContact C-N 3.34Å; A307-N309 PolarHBondContact O-N 3.27Å; N309-K311 PolarHBondContact O-N 3.49Å; N309-M312 WeakPolarHBondContact O-CB 3.41Å; N309-M312 PolarHBondContact O-N 2.86Å; N309-E313 PolarHBondContact O-N 3.47Å
310	K	93.6	Very high	92.5	Very high	127 Å²	127	61.7 Å²	61.7	55%	0.552	35%	0.351	S	S	*	.	H	α-helix	trans	-61.7	-43.5	176.3	-66.9	-179.7	178.9	-177.2	0	112.2	M302 S306 A307 M312 E313 I314	M302-K310 HydrophobicContact CE-CB 3.92Å; M302-K310 HydrophobicContact CE-CD 4.42Å; M302-K310 HydrophobicContact SD-CB 3.62Å; S306-K310 PolarHBondContact O-N 2.95Å; A307-K310 PolarHBondContact O-N 3Å; K310-M312 VanDerWaalsContact C-N 3.31Å; K310-M312 PolarHBondContact O-N 2.98Å; K310-E313 PolarHBondContact O-N 2.81Å; K310-I314 PolarHBondContact O-N 3.48Å; K310-I314 VanDerWaalsContact O-N 3.14Å
311	K	94.3	Very high	92.5	Very high	10 Å²	10	61.2 Å²	61.2	4%	0.043	35%	0.348	C	S	.	.	H	α-helix	trans	-57.5	-45.4	173.7	-70	-179.5	-170	-143	0	110.9	L235 V237 I299 M302 A307 N309 E313 I314 I315	L235-K311 PolarHBondContact O-NZ 2.99Å; V237-K311 HydrophobicContact CG2-CD 4.42Å; I299-K311 HydrophobicContact CG2-CB 4.48Å; I299-K311 HydrophobicContact CG2-CD 4.07Å; I299-K311 HydrophobicContact CG2-CG 4.03Å; I299-K311 WeakPolarHBondContact O-CE 3.24Å; I299-K311 PolarHBondContact O-NZ 2.82Å; M302-K311 HydrophobicContact CB-CG 4.27Å; M302-K311 WeakPolarHBondContact O-CE 3.43Å; M302-K311 PolarHBondContact O-NZ 3.49Å; M302-K311 HydrophobicContact SD-CG 4.03Å; A307-K311 VanDerWaalsContact O-CG 3.27Å; A307-K311 WeakPolarHBondContact O-CG 3.42Å; A307-K311 PolarHBondContact O-N 3.12Å; N309-K311 PolarHBondContact O-N 3.49Å; K311-E313 PolarHBondContact O-N 2.8Å; K311-I314 PolarHBondContact O-N 3.43Å; K311-I315 WeakPolarHBondContact O-CD1 3.43Å; K311-I315 WeakPolarHBondContact O-CG1 3.46Å; K311-I315 PolarHBondContact O-N 2.99Å
312	M	93.6	Very high	92.5	Very high	40 Å²	40	57.1 Å²	57.1	20%	0.197	32%	0.319	C	S	.	.	H	α-helix	trans	-59.8	-41.7	177.9	-172.5	-174	69	0	0	112.5	I241 K244 A245 Q308 N309 K310 I315 R316	I241-M312 HydrophobicContact CG2-CB 4.2Å; K244-M312 HydrophobicContact CB-SD 4.2Å; A245-M312 HydrophobicContact CB-CG 4.04Å; Q308-M312 WeakPolarHBondContact O-CB 3.34Å; Q308-M312 PolarHBondContact O-N 2.8Å; N309-M312 WeakPolarHBondContact O-CB 3.41Å; N309-M312 PolarHBondContact O-N 2.86Å; K310-M312 VanDerWaalsContact C-N 3.31Å; K310-M312 PolarHBondContact O-N 2.98Å; M312-I315 PolarHBondContact O-N 2.75Å; M312-R316 WeakPolarHBondContact O-CB 3.47Å; M312-R316 PolarHBondContact O-N 3.33Å
313	E	94.5	Very high	92.4	Very high	101 Å²	101	58.2 Å²	58.2	47%	0.472	32%	0.32	S	S	.	.	H	α-helix	trans	-65.4	-41	177.5	-67	-51.8	130.6	0	0	112.6	N309 K310 K311 R316 S317	N309-E313 PolarHBondContact O-N 3.47Å; K310-E313 PolarHBondContact O-N 2.81Å; K311-E313 PolarHBondContact O-N 2.8Å; E313-R316 PolarHBondContact O-N 3.42Å; E313-S317 WeakPolarHBondContact O-CB 3.41Å; E313-S317 PolarHBondContact O-N 2.91Å
314	I	96.3	Very high	92.6	Very high	30 Å²	30	57.7 Å²	57.7	15%	0.154	31%	0.306	C	S	.	.	H	α-helix	trans	-63.6	-44.8	174.6	-62.8	173.9	0	0	0	110.5	K295 D298 I299 M302 K310 K311 R316 S317 L318	K295-I314 HydrophobicContact CB-CG2 3.83Å; K295-I314 HydrophobicContact CD-CG2 4.2Å; K295-I314 HydrophobicContact CG-CG2 4.06Å; D298-I314 HydrophobicContact CB-CD1 4.26Å; I299-I314 HydrophobicContact CD1-CB 4.15Å; I299-I314 HydrophobicContact CD1-CG2 3.73Å; I299-I314 HydrophobicContact CG1-CB 4.1Å; I299-I314 HydrophobicContact CG1-CD1 4.17Å; I299-I314 HydrophobicContact CG1-CG2 3.93Å; M302-I314 HydrophobicContact CE-CD1 3.46Å; M302-I314 VanDerWaalsContact CE-CD1 3.46Å; M302-I314 HydrophobicContact SD-CD1 4.06Å; K310-I314 PolarHBondContact O-N 3.48Å; K310-I314 VanDerWaalsContact O-N 3.14Å; K311-I314 PolarHBondContact O-N 3.43Å; I314-R316 VanDerWaalsContact C-N 3.33Å; I314-R316 PolarHBondContact O-N 2.83Å; I314-S317 WeakPolarHBondContact O-CB 3.25Å; I314-S317 PolarHBondContact O-N 2.97Å; I314-L318 HydrophobicContact CG2-CD1 4.42Å; I314-L318 PolarHBondContact O-N 3.11Å
315	I	96.6	Very high	93	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.5	-45.8	177.5	-65.9	164.1	0	0	0	109.9	V237 I241 L242 A245 I299 K311 M312 S317 L318 L319 L334	V237-I315 HydrophobicContact CG1-CD1 3.8Å; V237-I315 HydrophobicContact CG2-CD1 4.16Å; I241-I315 HydrophobicContact CG2-CD1 4.27Å; L242-I315 HydrophobicContact CD2-CD1 4.17Å; L242-I315 HydrophobicContact CD2-CG2 4.38Å; A245-I315 HydrophobicContact CB-CB 4.2Å; A245-I315 HydrophobicContact CB-CG2 3.63Å; I299-I315 HydrophobicContact CD1-CG1 3.81Å; K311-I315 WeakPolarHBondContact O-CD1 3.43Å; K311-I315 WeakPolarHBondContact O-CG1 3.46Å; K311-I315 PolarHBondContact O-N 2.99Å; M312-I315 PolarHBondContact O-N 2.75Å; I315-S317 VanDerWaalsContact C-N 3.34Å; I315-S317 PolarHBondContact O-N 3.13Å; I315-L318 WeakPolarHBondContact O-CB 3.29Å; I315-L318 PolarHBondContact O-N 3.39Å; I315-L319 HydrophobicContact CG2-CD1 3.87Å; I315-L319 HydrophobicContact CG2-CG 4.21Å; I315-L319 VanDerWaalsContact O-CG 3.29Å; I315-L319 WeakPolarHBondContact O-CG 3.27Å; I315-L319 PolarHBondContact O-N 3.15Å; I315-L334 HydrophobicContact CB-CD1 4.35Å; I315-L334 HydrophobicContact CD1-CD1 4.28Å; I315-L334 HydrophobicContact CD1-CD2 4.31Å; I315-L334 HydrophobicContact CG1-CD1 3.81Å; I315-L334 HydrophobicContact CG1-CD2 4.06Å; I315-L334 HydrophobicContact CG2-CD1 3.75Å
316	R	94.6	Very high	93.6	Very high	103 Å²	103	46.9 Å²	46.9	39%	0.389	24%	0.235	S	C	.	.	H	α-helix	trans	-58.1	-46.4	175.3	-177.5	180	-178.2	157.6	4.5	111.3	A248 M312 E313 I314 L318 L319 V320	A248-R316 PolarHBondContact O-NH2 3.21Å; A248-R316 VanDerWaalsContact O-NH2 3.14Å; M312-R316 WeakPolarHBondContact O-CB 3.47Å; M312-R316 PolarHBondContact O-N 3.33Å; E313-R316 PolarHBondContact O-N 3.42Å; I314-R316 VanDerWaalsContact C-N 3.33Å; I314-R316 PolarHBondContact O-N 2.83Å; R316-L318 VanDerWaalsContact C-N 3.31Å; R316-L318 PolarHBondContact O-N 3.47Å; R316-L319 PolarHBondContact O-N 3.41Å; R316-V320 HydrophobicContact CG-CG2 4.35Å; R316-V320 VanDerWaalsContact O-CG2 3.28Å; R316-V320 WeakPolarHBondContact O-CG2 3.4Å; R316-V320 PolarHBondContact O-N 3.07Å
317	S	94.5	Very high	94	Very high	56 Å²	56	43.4 Å²	43.4	39%	0.392	21%	0.21	S	C	.	.	H	α-helix	trans	-56	-43.9	176.1	166.4	0	0	0	0	112.3	K295 E313 I314 I315 A321	K295-S317 PolarHBondContact NZ-OG 3.34Å; E313-S317 WeakPolarHBondContact O-CB 3.41Å; E313-S317 PolarHBondContact O-N 2.91Å; I314-S317 WeakPolarHBondContact O-CB 3.25Å; I314-S317 PolarHBondContact O-N 2.97Å; I315-S317 VanDerWaalsContact C-N 3.34Å; I315-S317 PolarHBondContact O-N 3.13Å; S317-A321 PolarHBondContact O-N 2.85Å
318	L	96.5	Very high	94.4	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.4	-50.3	175.4	-72.9	170.5	0	0	0	111.2	L287 V292 K295 I314 I315 R316 V320 A321 C322 I330	L287-L318 HydrophobicContact CD2-CD2 3.85Å; V292-L318 HydrophobicContact CG2-CD2 4.12Å; K295-L318 HydrophobicContact CB-CD1 4.25Å; K295-L318 HydrophobicContact CB-CD2 4.43Å; K295-L318 HydrophobicContact CD-CD1 4.44Å; K295-L318 HydrophobicContact CD-CD2 3.51Å; K295-L318 HydrophobicContact CD-CG 3.89Å; I314-L318 HydrophobicContact CG2-CD1 4.42Å; I314-L318 PolarHBondContact O-N 3.11Å; I315-L318 WeakPolarHBondContact O-CB 3.29Å; I315-L318 PolarHBondContact O-N 3.39Å; R316-L318 VanDerWaalsContact C-N 3.31Å; R316-L318 PolarHBondContact O-N 3.47Å; L318-V320 VanDerWaalsContact C-N 3.32Å; L318-V320 PolarHBondContact O-N 2.79Å; L318-A321 PolarHBondContact O-N 3.07Å; L318-A321 VanDerWaalsContact O-N 3.08Å; L318-C322 PolarHBondContact O-N 3.21Å; L318-C322 VanDerWaalsContact O-N 3.13Å; L318-C322 PolarHBondContact O-SG 3.27Å; L318-I330 HydrophobicContact CB-CD1 4.31Å; L318-I330 HydrophobicContact CB-CG2 4.47Å
319	L	94.7	Very high	94.7	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.9	-35.7	-176.6	-67.1	175.8	0	0	0	112.9	A245 L246 T249 R275 I315 R316 A321 C322 T327 I330 I331	A245-L319 HydrophobicContact CB-CD1 4.32Å; L246-L319 HydrophobicContact CD1-CD1 4.41Å; T249-L319 HydrophobicContact CG2-CB 3.89Å; R275-L319 PolarHBondContact NH1-O 3.04Å; R275-L319 VanDerWaalsContact NH1-O 3.07Å; R275-L319 PolarHBondContact NH2-O 3.33Å; R275-L319 VanDerWaalsContact NH2-O 3.1Å; I315-L319 HydrophobicContact CG2-CD1 3.87Å; I315-L319 HydrophobicContact CG2-CG 4.21Å; I315-L319 VanDerWaalsContact O-CG 3.29Å; I315-L319 WeakPolarHBondContact O-CG 3.27Å; I315-L319 PolarHBondContact O-N 3.15Å; R316-L319 PolarHBondContact O-N 3.41Å; L319-A321 VanDerWaalsContact C-N 3.29Å; L319-A321 PolarHBondContact O-N 3.29Å; L319-C322 PolarHBondContact O-N 3.28Å; L319-T327 HydrophobicContact CD2-CG2 4.13Å; L319-I330 HydrophobicContact CD2-CG2 4.41Å; L319-I331 HydrophobicContact CD1-CD1 4.14Å; L319-I331 HydrophobicContact CD2-CD1 3.82Å; L319-I331 HydrophobicContact CD2-CG1 3.95Å
320	V	92.8	Very high	95	Very high	58 Å²	58	35 Å²	35	35%	0.352	17%	0.166	S	C	.	.	H	α-helix	trans	-64.2	-36.6	175.7	175	0	0	0	0	111.2	T249 P284 R316 L318	T249-V320 HydrophobicContact CG2-CG2 3.85Å; P284-V320 HydrophobicContact CG-CG1 3.79Å; R316-V320 HydrophobicContact CG-CG2 4.35Å; R316-V320 VanDerWaalsContact O-CG2 3.28Å; R316-V320 WeakPolarHBondContact O-CG2 3.4Å; R316-V320 PolarHBondContact O-N 3.07Å; L318-V320 VanDerWaalsContact C-N 3.32Å; L318-V320 PolarHBondContact O-N 2.79Å
321	A	94	Very high	95.2	Very high	8 Å²	8	28.9 Å²	28.9	7%	0.066	14%	0.14	C	C	.	.	H	α-helix	trans	-81.7	-14.8	-178.8	0	0	0	0	0	114.5	P284 L287 S317 L318 L319	P284-A321 HydrophobicContact CB-CB 4Å; P284-A321 HydrophobicContact CG-CB 4.16Å; L287-A321 HydrophobicContact CD1-CB 4.48Å; L287-A321 HydrophobicContact CD2-CB 3.75Å; L287-A321 HydrophobicContact CG-CB 3.95Å; S317-A321 PolarHBondContact O-N 2.85Å; L318-A321 PolarHBondContact O-N 3.07Å; L318-A321 VanDerWaalsContact O-N 3.08Å; L319-A321 VanDerWaalsContact C-N 3.29Å; L319-A321 PolarHBondContact O-N 3.29Å
322	C	94.5	Very high	95.3	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.007	14%	0.14	C	C	.	.			trans	-57.4	152.5	-178.9	-71.6	0	0	0	0	113.1	R275 L318 L319 E326 T327 I330	R275-C322 VanDerWaalsContact NH2-C 3.3Å; R275-C322 PolarHBondContact NH2-O 3.45Å; L318-C322 PolarHBondContact O-N 3.21Å; L318-C322 VanDerWaalsContact O-N 3.13Å; L318-C322 PolarHBondContact O-SG 3.27Å; L319-C322 PolarHBondContact O-N 3.28Å; C322-E326 VanDerWaalsContact CA-OE2 3.25Å; C322-E326 WeakPolarHBondContact CA-OE2 3.33Å; C322-E326 HydrophobicContact CB-CB 4.05Å; C322-T327 WeakPolarHBondContact CB-OG1 3.09Å; C322-I330 WeakPolarHBondContact SG-CD1 3.49Å
323	R	91.9	Very high	95.4	Very high	77 Å²	77	27 Å²	27	29%	0.291	13%	0.13	S	C	.	.			trans	-132.4	142.9	173.4	-58.6	178.3	-178.7	-136.8	-4.7	108	S325 E326	R323-S325 PolarHBondContact O-N 3.04Å; R323-E326 PolarHBondContact N-OE2 3.16Å; R323-E326 WeakPolarHBondContact O-CB 3.36Å; R323-E326 WeakPolarHBondContact O-CG 3.49Å; R323-E326 PolarHBondContact O-N 3.47Å
324	E	91.9	Very high	95.5	Very high	97 Å²	97	22.3 Å²	22.3	45%	0.453	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	-126.4	171.7	-56.8	170.1	-167.4	0	0	112.1	L178 R182 E326	L178-E324 HydrophobicContact CD1-CB 4.03Å; R182-E324 IonicContact CZ-OE2 3.14Å; R182-E324 VanDerWaalsContact CZ-OE2 3.29Å; R182-E324 IonicContact NE-OE2 2.67Å; R182-E324 PolarHBondContact NE-OE2 3.19Å; R182-E324 IonicContact NH2-OE2 3.19Å; R182-E324 PolarHBondContact NH2-OE2 3.11Å; E324-E326 VanDerWaalsContact C-N 3.28Å; E324-E326 PolarHBondContact O-N 3.39Å
325	S	94.9	Very high	95.3	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.014	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-4	-177.2	60	0	0	0	0	114.9	E272 R323 T327 K328 Y329	E272-S325 VanDerWaalsContact OE1-CA 3.27Å; E272-S325 WeakPolarHBondContact OE1-CA 3.38Å; E272-S325 WeakPolarHBondContact OE1-CB 3.36Å; R323-S325 PolarHBondContact O-N 3.04Å; S325-T327 PolarHBondContact O-N 3.33Å; S325-K328 WeakPolarHBondContact O-CB 3.38Å; S325-K328 PolarHBondContact O-N 2.83Å; S325-K328 VanDerWaalsContact O-N 3.14Å; S325-Y329 VanDerWaalsContact O-CD2 3.24Å; S325-Y329 WeakPolarHBondContact O-CD2 3.49Å; S325-Y329 PolarHBondContact O-N 3.34Å
326	E	96.9	Very high	95.1	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.009	14%	0.137	C	C	.	.	H	α-helix	trans	-58	-37.9	177.2	-65.5	-177.3	136.9	0	0	111.8	Y177 L178 A181 C322 R323 E324 K328 Y329 I330	Y177-E326 HydrophobicContact CD1-CB 3.92Å; Y177-E326 HydrophobicContact CD1-CG 3.69Å; Y177-E326 HydrophobicContact CE1-CB 4Å; Y177-E326 HydrophobicContact CE1-CG 4.19Å; L178-E326 WeakPolarHBondContact CA-OE1 3.3Å; L178-E326 HydrophobicContact CB-CG 4.02Å; L178-E326 WeakPolarHBondContact CB-OE1 3.27Å; L178-E326 HydrophobicContact CD1-CG 3.87Å; L178-E326 PolarHBondContact N-OE1 2.79Å; A181-E326 HydrophobicContact CB-CG 4.15Å; C322-E326 VanDerWaalsContact CA-OE2 3.25Å; C322-E326 WeakPolarHBondContact CA-OE2 3.33Å; C322-E326 HydrophobicContact CB-CB 4.05Å; R323-E326 PolarHBondContact N-OE2 3.16Å; R323-E326 WeakPolarHBondContact O-CB 3.36Å; R323-E326 WeakPolarHBondContact O-CG 3.49Å; R323-E326 PolarHBondContact O-N 3.47Å; E324-E326 VanDerWaalsContact C-N 3.28Å; E324-E326 PolarHBondContact O-N 3.39Å; E326-K328 VanDerWaalsContact C-N 3.3Å; E326-K328 PolarHBondContact O-N 3.47Å; E326-Y329 PolarHBondContact O-N 3.03Å; E326-I330 WeakPolarHBondContact O-CB 3.31Å; E326-I330 WeakPolarHBondContact O-CG1 3.3Å; E326-I330 PolarHBondContact O-N 2.97Å
327	T	96.4	Very high	94.8	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-58.1	-45.4	179.7	-50.8	0	0	0	0	110.8	A271 R275 L319 C322 S325 Y329 I331	A271-T327 HydrophobicContact CB-CG2 3.82Å; R275-T327 HydrophobicContact CB-CG2 4.29Å; R275-T327 HydrophobicContact CG-CG2 3.75Å; R275-T327 PolarHBondContact NE-OG1 3.42Å; L319-T327 HydrophobicContact CD2-CG2 4.13Å; C322-T327 WeakPolarHBondContact CB-OG1 3.09Å; S325-T327 PolarHBondContact O-N 3.33Å; T327-Y329 PolarHBondContact O-N 3.16Å; T327-I331 WeakPolarHBondContact O-CB 3.28Å; T327-I331 WeakPolarHBondContact O-CG1 3.16Å; T327-I331 PolarHBondContact O-N 3.36Å; T327-I331 VanDerWaalsContact O-N 3.11Å
328	K	97.4	Very high	94.8	Very high	19 Å²	19	23.2 Å²	23.2	8%	0.083	13%	0.125	C	C	.	.	H	α-helix	trans	-56.4	-53.8	-179.9	-176.7	-177.2	-179.4	177.5	0	110.3	E188 E272 S325 E326 I331 R332	E188-K328 WeakPolarHBondContact OE1-CE 3.2Å; E188-K328 IonicContact OE1-NZ 2.67Å; E188-K328 PolarHBondContact OE1-NZ 3.49Å; E188-K328 WeakPolarHBondContact OE2-CE 3.25Å; E188-K328 IonicContact OE2-NZ 2.81Å; E188-K328 PolarHBondContact OE2-NZ 2.77Å; E272-K328 HydrophobicContact CB-CB 3.99Å; E272-K328 HydrophobicContact CG-CB 4.45Å; E272-K328 WeakPolarHBondContact OE2-CD 3.37Å; S325-K328 WeakPolarHBondContact O-CB 3.38Å; S325-K328 PolarHBondContact O-N 2.83Å; S325-K328 VanDerWaalsContact O-N 3.14Å; E326-K328 VanDerWaalsContact C-N 3.3Å; E326-K328 PolarHBondContact O-N 3.47Å; K328-I331 PolarHBondContact O-N 3.24Å; K328-R332 WeakPolarHBondContact O-CB 3.33Å; K328-R332 WeakPolarHBondContact O-CG 3.4Å; K328-R332 PolarHBondContact O-N 3.23Å
329	Y	98.1	Very high	94.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-76	-32.9	-172.5	-62.6	-64.9	0	0	0	113	A181 F184 E185 E188 S325 E326 T327 R332 S333 L338 I340	A181-Y329 HydrophobicContact CB-CD2 3.8Å; A181-Y329 HydrophobicContact CB-CE2 4.43Å; A181-Y329 WeakPolarHBondContact O-CE2 3.44Å; F184-Y329 HydrophobicContact CB-CD1 3.83Å; F184-Y329 HydrophobicContact CB-CD2 4.09Å; F184-Y329 HydrophobicContact CB-CE1 3.55Å; F184-Y329 HydrophobicContact CB-CE2 3.8Å; F184-Y329 HydrophobicContact CB-CG 4.11Å; F184-Y329 AromaticContact CD2-CD1 3.74Å; F184-Y329 HydrophobicContact CD2-CD1 3.74Å; F184-Y329 HydrophobicContact CD2-CD2 4.23Å; F184-Y329 HydrophobicContact CD2-CE1 4.35Å; F184-Y329 AromaticContact CD2-CG 3.69Å; F184-Y329 HydrophobicContact CD2-CG 3.69Å; F184-Y329 HydrophobicContact CG-CD1 4.21Å; F184-Y329 HydrophobicContact CG-CE1 4.37Å; F184-Y329 HydrophobicContact CG-CG 4.41Å; E185-Y329 WeakPolarHBondContact CA-OH 3.42Å; E185-Y329 HydrophobicContact CB-CE2 4.34Å; E185-Y329 PolarHBondContact N-OH 3.25Å; E188-Y329 PolarHBondContact OE2-OH 3.22Å; S325-Y329 VanDerWaalsContact O-CD2 3.24Å; S325-Y329 WeakPolarHBondContact O-CD2 3.49Å; S325-Y329 PolarHBondContact O-N 3.34Å; E326-Y329 PolarHBondContact O-N 3.03Å; T327-Y329 PolarHBondContact O-N 3.16Å; Y329-R332 PolarHBondContact O-N 2.93Å; Y329-S333 VanDerWaalsContact O-CB 3.32Å; Y329-S333 WeakPolarHBondContact O-CB 3.43Å; Y329-S333 PolarHBondContact O-N 2.79Å; Y329-S333 PolarHBondContact O-OG 3.34Å; Y329-L338 HydrophobicContact CD1-CD1 3.98Å; Y329-I340 HydrophobicContact CD1-CG2 4.28Å; Y329-I340 HydrophobicContact CE1-CG2 3.61Å
330	I	97.9	Very high	94.5	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-62.6	-46.9	171.7	-71.4	-179.5	0	0	0	111	Y177 L287 L318 L319 C322 E326 R332 S333 L334	Y177-I330 HydrophobicContact CD1-CD1 4.3Å; Y177-I330 HydrophobicContact CD1-CG1 4.37Å; Y177-I330 HydrophobicContact CE1-CD1 3.92Å; Y177-I330 HydrophobicContact CE1-CG1 3.51Å; Y177-I330 PolarHBondContact OH-N 2.9Å; L287-I330 HydrophobicContact CD1-CD1 3.5Å; L318-I330 HydrophobicContact CB-CD1 4.31Å; L318-I330 HydrophobicContact CB-CG2 4.47Å; L319-I330 HydrophobicContact CD2-CG2 4.41Å; C322-I330 WeakPolarHBondContact SG-CD1 3.49Å; E326-I330 WeakPolarHBondContact O-CB 3.31Å; E326-I330 WeakPolarHBondContact O-CG1 3.3Å; E326-I330 PolarHBondContact O-N 2.97Å; I330-R332 PolarHBondContact O-N 3.08Å; I330-S333 PolarHBondContact O-N 3.45Å; I330-L334 HydrophobicContact CG2-CD1 3.68Å; I330-L334 HydrophobicContact CG2-CG 4.34Å; I330-L334 WeakPolarHBondContact O-CB 3.25Å; I330-L334 VanDerWaalsContact O-CG 3.26Å; I330-L334 WeakPolarHBondContact O-CG 3.42Å; I330-L334 PolarHBondContact O-N 3.16Å
331	I	97.2	Very high	94.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.6	-42.6	178.3	-71.1	-66.8	0	0	0	111.2	L242 L267 A271 L319 T327 K328 L334 S335	L242-I331 HydrophobicContact CD2-CD1 4.31Å; L267-I331 HydrophobicContact CB-CG2 4.07Å; L267-I331 HydrophobicContact CD2-CG2 4.11Å; L267-I331 HydrophobicContact CG-CG2 3.76Å; A271-I331 HydrophobicContact CB-CB 4.46Å; A271-I331 HydrophobicContact CB-CG1 3.84Å; L319-I331 HydrophobicContact CD1-CD1 4.14Å; L319-I331 HydrophobicContact CD2-CD1 3.82Å; L319-I331 HydrophobicContact CD2-CG1 3.95Å; T327-I331 WeakPolarHBondContact O-CB 3.28Å; T327-I331 WeakPolarHBondContact O-CG1 3.16Å; T327-I331 PolarHBondContact O-N 3.36Å; T327-I331 VanDerWaalsContact O-N 3.11Å; K328-I331 PolarHBondContact O-N 3.24Å; I331-L334 PolarHBondContact O-N 3.5Å; I331-S335 WeakPolarHBondContact O-CB 3.22Å; I331-S335 PolarHBondContact O-N 3.26Å; I331-S335 PolarHBondContact O-OG 3.37Å
332	R	96.1	Very high	94.5	Very high	10 Å²	10	30.5 Å²	30.5	4%	0.038	17%	0.169	C	C	.	.	H	α-helix	trans	-63.8	-41.7	176.4	-77.8	-168	178.9	167.9	-0.6	112.2	E188 D266 K328 Y329 I330 S335 G336 K337 L338 R339	E188-R332 VanDerWaalsContact CD-NH1 3.28Å; E188-R332 IonicContact OE1-CZ 2.62Å; E188-R332 IonicContact OE1-NH1 3.74Å; E188-R332 PolarHBondContact OE1-NH1 2.92Å; E188-R332 IonicContact OE1-NH2 3.7Å; E188-R332 PolarHBondContact OE1-NH2 3.49Å; E188-R332 IonicContact OE2-CZ 3.79Å; E188-R332 IonicContact OE2-NH1 3.15Å; E188-R332 PolarHBondContact OE2-NH1 3.39Å; E188-R332 IonicContact OE2-NH2 2.89Å; D266-R332 IonicContact OD1-NE 2.66Å; D266-R332 PolarHBondContact OD1-NE 2.86Å; D266-R332 IonicContact OD2-CZ 3.48Å; D266-R332 IonicContact OD2-NE 3.78Å; D266-R332 PolarHBondContact OD2-NE 3.15Å; D266-R332 IonicContact OD2-NH2 3.5Å; D266-R332 PolarHBondContact OD2-NH2 3.44Å; K328-R332 WeakPolarHBondContact O-CB 3.33Å; K328-R332 WeakPolarHBondContact O-CG 3.4Å; K328-R332 PolarHBondContact O-N 3.23Å; Y329-R332 PolarHBondContact O-N 2.93Å; I330-R332 PolarHBondContact O-N 3.08Å; R332-S335 WeakPolarHBondContact O-CB 2.92Å; R332-S335 PolarHBondContact O-N 2.81Å; R332-G336 PolarHBondContact O-N 3.32Å; R332-K337 WeakPolarHBondContact CB-O 3.47Å; R332-K337 CarbonylContact O-C 3.54Å; R332-K337 PolarHBondContact O-N 3.41Å; R332-L338 HydrophobicContact CB-CD1 4.41Å; R332-L338 WeakPolarHBondContact CD-O 3.26Å; R332-L338 PolarHBondContact NH1-O 3.48Å; R332-L338 VanDerWaalsContact NH1-O 3.12Å; R332-R339 PolarHBondContact NH1-O 3.15Å
333	S	96.4	Very high	94.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.8	-48.3	174.7	-76.4	0	0	0	0	112.1	N224 L235 Y329 I330 S335 G336	N224-S333 PolarHBondContact ND2-O 3.34Å; N224-S333 WeakPolarHBondContact OD1-CA 3.31Å; N224-S333 WeakPolarHBondContact OD1-CB 3.39Å; N224-S333 PolarHBondContact OD1-OG 3.13Å; L235-S333 WeakPolarHBondContact CD1-O 3.1Å; Y329-S333 VanDerWaalsContact O-CB 3.32Å; Y329-S333 WeakPolarHBondContact O-CB 3.43Å; Y329-S333 PolarHBondContact O-N 2.79Å; Y329-S333 PolarHBondContact O-OG 3.34Å; I330-S333 PolarHBondContact O-N 3.45Å; S333-S335 PolarHBondContact O-N 2.88Å; S333-G336 PolarHBondContact O-N 3Å
334	L	96.3	Very high	94.6	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-62.6	-28.6	176	-68.8	165.3	0	0	0	113.4	L235 V237 L242 L296 I299 I315 I330 I331 G336	L235-L334 HydrophobicContact CD2-CD2 4.35Å; V237-L334 HydrophobicContact CG2-CD2 4.46Å; L242-L334 HydrophobicContact CD1-CB 4.33Å; L242-L334 HydrophobicContact CD2-CB 3.66Å; L242-L334 HydrophobicContact CD2-CD1 3.86Å; L242-L334 HydrophobicContact CD2-CG 4.37Å; L296-L334 HydrophobicContact CD2-CD2 3.55Å; L296-L334 HydrophobicContact CD2-CG 4.16Å; I299-L334 HydrophobicContact CD1-CD2 3.92Å; I315-L334 HydrophobicContact CB-CD1 4.35Å; I315-L334 HydrophobicContact CD1-CD1 4.28Å; I315-L334 HydrophobicContact CD1-CD2 4.31Å; I315-L334 HydrophobicContact CG1-CD1 3.81Å; I315-L334 HydrophobicContact CG1-CD2 4.06Å; I315-L334 HydrophobicContact CG2-CD1 3.75Å; I330-L334 HydrophobicContact CG2-CD1 3.68Å; I330-L334 HydrophobicContact CG2-CG 4.34Å; I330-L334 WeakPolarHBondContact O-CB 3.25Å; I330-L334 VanDerWaalsContact O-CG 3.26Å; I330-L334 WeakPolarHBondContact O-CG 3.42Å; I330-L334 PolarHBondContact O-N 3.16Å; I331-L334 PolarHBondContact O-N 3.5Å; L334-G336 PolarHBondContact O-N 2.93Å
335	S	92.9	Very high	94.8	Very high	53 Å²	53	29.5 Å²	29.5	37%	0.371	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-6.6	174.3	-57.5	0	0	0	0	113.3	L242 I331 R332 S333 K337	L242-S335 WeakPolarHBondContact CD1-OG 3.44Å; I331-S335 WeakPolarHBondContact O-CB 3.22Å; I331-S335 PolarHBondContact O-N 3.26Å; I331-S335 PolarHBondContact O-OG 3.37Å; R332-S335 WeakPolarHBondContact O-CB 2.92Å; R332-S335 PolarHBondContact O-N 2.81Å; S333-S335 PolarHBondContact O-N 2.88Å; S335-K337 VanDerWaalsContact C-N 3.29Å; S335-K337 PolarHBondContact O-N 3.45Å
336	G	91	Very high	94.9	Very high	37 Å²	37	29.9 Å²	29.9	38%	0.381	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	7	-176.8	0	0	0	0	0	114.7	N224 R332 S333 L334	N224-G336 WeakPolarHBondContact ND2-CA 3.44Å; N224-G336 PolarHBondContact ND2-O 3.36Å; R332-G336 PolarHBondContact O-N 3.32Å; S333-G336 PolarHBondContact O-N 3Å; L334-G336 PolarHBondContact O-N 2.93Å
337	K	89	Confident	95	Very high	107 Å²	107	29.8 Å²	29.8	47%	0.465	18%	0.178	S	C	.	.			trans	-140.4	104.3	-176.3	-63	-175	-179.7	-172.1	0	111.3	N224 R332 S335 R339	N224-K337 PolarHBondContact ND2-N 3.09Å; R332-K337 WeakPolarHBondContact CB-O 3.47Å; R332-K337 CarbonylContact O-C 3.54Å; R332-K337 PolarHBondContact O-N 3.41Å; S335-K337 VanDerWaalsContact C-N 3.29Å; S335-K337 PolarHBondContact O-N 3.45Å; K337-R339 HydrophobicContact CB-CG 4.25Å
338	L	94	Very high	95.1	Very high	12 Å²	12	29.8 Å²	29.8	6%	0.063	18%	0.177	C	C	.	.			trans	-74.3	-25.7	-176.9	-163.2	62	0	0	0	114.3	F184 N224 Y329 R332 I340	F184-L338 HydrophobicContact CD1-CD2 4.41Å; F184-L338 HydrophobicContact CD2-CD1 4.19Å; F184-L338 HydrophobicContact CD2-CD2 4.26Å; F184-L338 HydrophobicContact CE1-CD2 3.99Å; F184-L338 HydrophobicContact CE2-CD1 3.99Å; F184-L338 HydrophobicContact CE2-CD2 3.83Å; F184-L338 HydrophobicContact CE2-CG 4.45Å; F184-L338 HydrophobicContact CZ-CD2 3.68Å; N224-L338 HydrophobicContact CB-CB 4.14Å; Y329-L338 HydrophobicContact CD1-CD1 3.98Å; R332-L338 HydrophobicContact CB-CD1 4.41Å; R332-L338 WeakPolarHBondContact CD-O 3.26Å; R332-L338 PolarHBondContact NH1-O 3.48Å; R332-L338 VanDerWaalsContact NH1-O 3.12Å; L338-I340 VanDerWaalsContact C-N 3.31Å; L338-I340 HydrophobicContact CB-CG1 4.46Å; L338-I340 HydrophobicContact CD2-CD1 3.48Å; L338-I340 VanDerWaalsContact CD2-CD1 3.48Å; L338-I340 HydrophobicContact CD2-CG1 3.87Å; L338-I340 HydrophobicContact CG-CD1 4.09Å; L338-I340 HydrophobicContact CG-CG1 4.01Å; L338-I340 HydrophobicContact CG-CG2 4.1Å; L338-I340 WeakPolarHBondContact O-CG2 3.47Å; L338-I340 PolarHBondContact O-N 3.46Å
339	R	90.7	Very high	95.1	Very high	106 Å²	106	30 Å²	30	40%	0.4	18%	0.181	S	C	.	.			trans	53.4	39.8	173.1	-59.3	177.6	176.7	-127.8	11	114.8	G265 R332 K337	G265-R339 VanDerWaalsContact O-CZ 3.28Å; G265-R339 PolarHBondContact O-NH1 2.79Å; G265-R339 PolarHBondContact O-NH2 2.82Å; R332-R339 PolarHBondContact NH1-O 3.15Å; K337-R339 HydrophobicContact CB-CG 4.25Å
340	I	94.9	Very high	95.1	Very high	11 Å²	11	30 Å²	30	6%	0.056	18%	0.181	C	C	.	.	S	Bend	trans	-107.5	1.1	177.9	58.8	167.3	0	0	0	113.7	F184 I187 E188 Y329 L338 L342	F184-I340 HydrophobicContact CB-CG2 4.11Å; F184-I340 HydrophobicContact CD1-CD1 3.58Å; F184-I340 HydrophobicContact CE1-CD1 3.94Å; F184-I340 HydrophobicContact CG-CD1 4.15Å; I187-I340 HydrophobicContact CG2-CB 4.27Å; I187-I340 HydrophobicContact CG2-CD1 4.34Å; I187-I340 WeakPolarHBondContact CG2-O 3.23Å; E188-I340 HydrophobicContact CB-CB 4.45Å; E188-I340 HydrophobicContact CB-CG2 4.23Å; Y329-I340 HydrophobicContact CD1-CG2 4.28Å; Y329-I340 HydrophobicContact CE1-CG2 3.61Å; L338-I340 VanDerWaalsContact C-N 3.31Å; L338-I340 HydrophobicContact CB-CG1 4.46Å; L338-I340 HydrophobicContact CD2-CD1 3.48Å; L338-I340 VanDerWaalsContact CD2-CD1 3.48Å; L338-I340 HydrophobicContact CD2-CG1 3.87Å; L338-I340 HydrophobicContact CG-CD1 4.09Å; L338-I340 HydrophobicContact CG-CG1 4.01Å; L338-I340 HydrophobicContact CG-CG2 4.1Å; L338-I340 WeakPolarHBondContact O-CG2 3.47Å; L338-I340 PolarHBondContact O-N 3.46Å; I340-L342 HydrophobicContact CD1-CB 3.62Å; I340-L342 HydrophobicContact CD1-CD2 3.83Å; I340-L342 HydrophobicContact CD1-CG 4.4Å; I340-L342 HydrophobicContact CG1-CB 3.73Å; I340-L342 PolarHBondContact O-N 2.96Å
341	G	91.4	Very high	95.2	Very high	71 Å²	71	30 Å²	30	73%	0.732	18%	0.18	S	C	*	.			trans	70.1	15	-178.5	0	0	0	0	0	115
342	L	95.2	Very high	95.2	Very high	30 Å²	30	30 Å²	30	16%	0.157	18%	0.18	C	C	.	.			trans	-87.4	120.9	179.5	-176.6	62.1	0	0	0	111.4	I187 I196 L200 C222 I340 T346 V347	I187-L342 HydrophobicContact CD1-CD2 4.33Å; I187-L342 HydrophobicContact CG2-CB 4.36Å; I196-L342 HydrophobicContact CG2-CD1 3.85Å; L200-L342 HydrophobicContact CD2-CD1 3.89Å; L200-L342 HydrophobicContact CD2-CD2 4.01Å; C222-L342 HydrophobicContact CB-CD2 3.95Å; I340-L342 HydrophobicContact CD1-CB 3.62Å; I340-L342 HydrophobicContact CD1-CD2 3.83Å; I340-L342 HydrophobicContact CD1-CG 4.4Å; I340-L342 HydrophobicContact CG1-CB 3.73Å; I340-L342 PolarHBondContact O-N 2.96Å; L342-T346 HydrophobicContact CD1-CG2 3.67Å; L342-V347 HydrophobicContact CD1-CG2 4.12Å; L342-V347 HydrophobicContact CD2-CG2 3.77Å; L342-V347 HydrophobicContact CG-CG2 3.84Å
343	A	93.3	Very high	95.3	Very high	48 Å²	48	31.6 Å²	31.6	40%	0.397	19%	0.188	S	C	.	.			trans	-94	152.4	175.8	0	0	0	0	0	111.9	Q345 T346 V347	A343-Q345 VanDerWaalsContact C-N 3.27Å; A343-Q345 PolarHBondContact O-N 3.44Å; A343-T346 WeakPolarHBondContact O-CA 3.29Å; A343-T346 VanDerWaalsContact O-CB 3.3Å; A343-T346 WeakPolarHBondContact O-CB 3.21Å; A343-T346 PolarHBondContact O-N 2.76Å; A343-V347 PolarHBondContact O-N 3.26Å; A343-V347 VanDerWaalsContact O-N 3.1Å
344	E	94.8	Very high	95.4	Very high	25 Å²	25	31.6 Å²	31.6	12%	0.117	19%	0.188	C	C	.	.	H	α-helix	trans	-59.1	-36.9	178.2	-170.7	175	-142.8	0	0	112.8	L223 R225 T346 V347 L348 Y398 Y404 K432	L223-E344 HydrophobicContact CD1-CG 4.36Å; L223-E344 HydrophobicContact CD2-CB 3.84Å; L223-E344 HydrophobicContact CD2-CG 3.88Å; R225-E344 IonicContact CZ-OE1 2.76Å; R225-E344 IonicContact NH1-OE1 3.64Å; R225-E344 PolarHBondContact NH1-OE1 3.41Å; R225-E344 IonicContact NH2-OE1 3.49Å; R225-E344 PolarHBondContact NH2-OE1 3.14Å; R225-E344 IonicContact NH2-OE2 3.24Å; R225-E344 PolarHBondContact NH2-OE2 3.44Å; E344-T346 VanDerWaalsContact C-N 3.27Å; E344-T346 PolarHBondContact O-N 3Å; E344-V347 WeakPolarHBondContact O-CB 3.44Å; E344-V347 PolarHBondContact O-N 3.29Å; E344-L348 PolarHBondContact O-N 3.18Å; E344-Y398 HydrophobicContact CG-CE1 4.5Å; E344-Y398 PolarHBondContact OE1-OH 3Å; E344-Y404 WeakPolarHBondContact CG-OH 3.18Å; E344-Y404 PolarHBondContact OE1-OH 3.18Å; E344-K432 IonicContact OE2-NZ 3.95Å; E344-K432 PolarHBondContact OE2-NZ 2.87Å
345	Q	95.2	Very high	95.5	Very high	82 Å²	82	31.9 Å²	31.9	38%	0.383	19%	0.19	S	C	.	.	H	α-helix	trans	-63.4	-33.1	174.3	-71.8	-61.4	-28.3	0	0	112.6	A343 T349	A343-Q345 VanDerWaalsContact C-N 3.27Å; A343-Q345 PolarHBondContact O-N 3.44Å; Q345-T349 WeakPolarHBondContact O-CB 3.22Å; Q345-T349 PolarHBondContact O-N 3.32Å; Q345-T349 PolarHBondContact O-OG1 3.25Å
346	T	98	Very high	95.6	Very high	10 Å²	10	29.7 Å²	29.7	6%	0.061	18%	0.175	C	C	.	.	H	α-helix	trans	-71.2	-38	174.8	-58.2	0	0	0	0	111	I196 T197 L342 A343 E344 T349 A350	I196-T346 HydrophobicContact CG2-CG2 3.8Å; T197-T346 WeakPolarHBondContact OG1-CG2 3.42Å; L342-T346 HydrophobicContact CD1-CG2 3.67Å; A343-T346 WeakPolarHBondContact O-CA 3.29Å; A343-T346 VanDerWaalsContact O-CB 3.3Å; A343-T346 WeakPolarHBondContact O-CB 3.21Å; A343-T346 PolarHBondContact O-N 2.76Å; E344-T346 VanDerWaalsContact C-N 3.27Å; E344-T346 PolarHBondContact O-N 3Å; T346-T349 PolarHBondContact O-N 3.4Å; T346-A350 VanDerWaalsContact O-CB 3.31Å; T346-A350 WeakPolarHBondContact O-CB 3.47Å; T346-A350 PolarHBondContact O-N 2.9Å
347	V	98.5	Very high	95.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.5	-48.2	173	178.1	0	0	0	0	111.2	L200 F204 V219 C222 L223 L342 A343 E344 T349 A350 L351	L200-V347 HydrophobicContact CD2-CB 4.32Å; L200-V347 HydrophobicContact CD2-CG2 3.93Å; F204-V347 HydrophobicContact CE2-CG1 4.07Å; F204-V347 HydrophobicContact CZ-CG1 3.99Å; V219-V347 HydrophobicContact CG1-CG1 4.07Å; C222-V347 HydrophobicContact CB-CG2 4.32Å; L223-V347 HydrophobicContact CD2-CB 4.2Å; L223-V347 HydrophobicContact CD2-CG2 3.69Å; L223-V347 HydrophobicContact CG-CG2 4.32Å; L342-V347 HydrophobicContact CD1-CG2 4.12Å; L342-V347 HydrophobicContact CD2-CG2 3.77Å; L342-V347 HydrophobicContact CG-CG2 3.84Å; A343-V347 PolarHBondContact O-N 3.26Å; A343-V347 VanDerWaalsContact O-N 3.1Å; E344-V347 WeakPolarHBondContact O-CB 3.44Å; E344-V347 PolarHBondContact O-N 3.29Å; V347-T349 PolarHBondContact O-N 3.29Å; V347-A350 PolarHBondContact O-N 3.47Å; V347-L351 WeakPolarHBondContact O-CB 3.44Å; V347-L351 PolarHBondContact O-N 2.62Å
348	L	98.1	Very high	96.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.8	-40.5	177.1	-70.3	167.2	0	0	0	112.4	E344 L351 G352 V394 K395 Y398 Y404 L407	E344-L348 PolarHBondContact O-N 3.18Å; L348-L351 PolarHBondContact O-N 2.8Å; L348-G352 PolarHBondContact O-N 2.95Å; L348-V394 HydrophobicContact CD2-CG1 4.2Å; L348-K395 HydrophobicContact CB-CG 3.96Å; L348-K395 HydrophobicContact CD1-CG 4.43Å; L348-Y398 HydrophobicContact CD1-CD1 3.58Å; L348-Y398 HydrophobicContact CD1-CE1 4.21Å; L348-Y398 HydrophobicContact CD1-CG 4.18Å; L348-Y398 HydrophobicContact CD2-CD1 4.04Å; L348-Y398 HydrophobicContact CD2-CD2 4.43Å; L348-Y398 HydrophobicContact CD2-CG 3.8Å; L348-Y398 HydrophobicContact CG-CD1 4.38Å; L348-Y404 HydrophobicContact CD2-CE1 3.73Å; L348-Y404 HydrophobicContact CG-CE1 4.49Å; L348-L407 HydrophobicContact CD2-CD2 4.19Å
349	T	98.5	Very high	96.2	Very high	25 Å²	25	25.3 Å²	25.3	15%	0.153	15%	0.149	C	C	.	.	H	α-helix	trans	-63.2	-47.9	176.5	-54.2	0	0	0	0	110.5	T197 Q345 T346 V347 L351 G352 Q353 V391 K395	T197-T349 HydrophobicContact CG2-CG2 3.72Å; Q345-T349 WeakPolarHBondContact O-CB 3.22Å; Q345-T349 PolarHBondContact O-N 3.32Å; Q345-T349 PolarHBondContact O-OG1 3.25Å; T346-T349 PolarHBondContact O-N 3.4Å; V347-T349 PolarHBondContact O-N 3.29Å; T349-L351 VanDerWaalsContact C-N 3.32Å; T349-L351 PolarHBondContact O-N 3.18Å; T349-G352 PolarHBondContact O-N 3.39Å; T349-Q353 HydrophobicContact CG2-CG 4.49Å; T349-Q353 VanDerWaalsContact O-CG 3.29Å; T349-Q353 WeakPolarHBondContact O-CG 3.06Å; T349-Q353 PolarHBondContact O-N 2.93Å; T349-V391 HydrophobicContact CG2-CG1 4.03Å; T349-V391 HydrophobicContact CG2-CG2 4.2Å; T349-K395 WeakPolarHBondContact OG1-CE 3.34Å; T349-K395 PolarHBondContact OG1-NZ 3.38Å
350	A	98.7	Very high	96.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.9	-39.2	177.6	0	0	0	0	0	112.4	T197 L200 C201 F204 T346 V347 Q353 A354	T197-A350 HydrophobicContact CG2-CB 4Å; L200-A350 HydrophobicContact CB-CB 3.77Å; L200-A350 HydrophobicContact CD2-CB 3.83Å; L200-A350 HydrophobicContact CG-CB 3.75Å; C201-A350 HydrophobicContact CB-CB 4.35Å; F204-A350 HydrophobicContact CD2-CB 4.19Å; F204-A350 HydrophobicContact CE2-CB 4.24Å; T346-A350 VanDerWaalsContact O-CB 3.31Å; T346-A350 WeakPolarHBondContact O-CB 3.47Å; T346-A350 PolarHBondContact O-N 2.9Å; V347-A350 PolarHBondContact O-N 3.47Å; A350-Q353 PolarHBondContact O-N 3.19Å; A350-A354 VanDerWaalsContact O-CB 3.3Å; A350-A354 WeakPolarHBondContact O-CB 3.3Å; A350-A354 PolarHBondContact O-N 2.74Å
351	L	98.7	Very high	96	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.1	-45.4	175.4	-175.9	62.8	0	0	0	111.6	F204 V347 L348 T349 Q353 A354 V355 F360 V394 L407 L411	F204-L351 HydrophobicContact CD2-CB 4.19Å; F204-L351 HydrophobicContact CD2-CD1 4.33Å; F204-L351 HydrophobicContact CE2-CB 4.29Å; V347-L351 WeakPolarHBondContact O-CB 3.44Å; V347-L351 PolarHBondContact O-N 2.62Å; L348-L351 PolarHBondContact O-N 2.8Å; T349-L351 VanDerWaalsContact C-N 3.32Å; T349-L351 PolarHBondContact O-N 3.18Å; L351-Q353 VanDerWaalsContact C-N 3.33Å; L351-Q353 PolarHBondContact O-N 3.08Å; L351-A354 PolarHBondContact O-N 3.27Å; L351-V355 WeakPolarHBondContact O-CG2 3.45Å; L351-V355 PolarHBondContact O-N 3.18Å; L351-F360 HydrophobicContact CD1-CE2 3.89Å; L351-F360 HydrophobicContact CD1-CZ 4.48Å; L351-V394 HydrophobicContact CD2-CG1 4.21Å; L351-V394 HydrophobicContact CG-CG1 4.4Å; L351-L407 HydrophobicContact CD2-CD2 4.21Å; L351-L411 HydrophobicContact CD1-CD1 4.41Å; L351-L411 HydrophobicContact CD2-CD1 3.9Å; L351-L411 HydrophobicContact CG-CD1 4.06Å
352	G	98.4	Very high	95.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-58.1	-43.5	174.1	0	0	0	0	0	112.7	L348 T349 V355 A356	L348-G352 PolarHBondContact O-N 2.95Å; T349-G352 PolarHBondContact O-N 3.39Å; G352-V355 VanDerWaalsContact O-CG2 3.23Å; G352-V355 WeakPolarHBondContact O-CG2 3.5Å; G352-A356 WeakPolarHBondContact O-CB 3.48Å; G352-A356 PolarHBondContact O-N 3.08Å; G352-A356 VanDerWaalsContact O-N 3.07Å
353	Q	98.3	Very high	94	Very high	45 Å²	45	30.7 Å²	30.7	21%	0.21	16%	0.155	C	C	.	.	H	α-helix	trans	-66.9	-39.5	176.1	-67.2	-177.8	-10.8	0	0	112.5	T197 C201 T349 A350 L351 A356 M357 M387 V391	T197-Q353 VanDerWaalsContact CG2-OE1 3.31Å; C201-Q353 HydrophobicContact CB-CB 4.33Å; T349-Q353 HydrophobicContact CG2-CG 4.49Å; T349-Q353 VanDerWaalsContact O-CG 3.29Å; T349-Q353 WeakPolarHBondContact O-CG 3.06Å; T349-Q353 PolarHBondContact O-N 2.93Å; A350-Q353 PolarHBondContact O-N 3.19Å; L351-Q353 VanDerWaalsContact C-N 3.33Å; L351-Q353 PolarHBondContact O-N 3.08Å; Q353-A356 PolarHBondContact O-N 2.75Å; Q353-M357 WeakPolarHBondContact O-CB 3.46Å; Q353-M357 PolarHBondContact O-N 2.8Å; Q353-M387 WeakPolarHBondContact CA-SD 3.3Å; Q353-M387 HydrophobicContact CB-CE 4.01Å; Q353-M387 HydrophobicContact CB-CG 4.43Å; Q353-M387 HydrophobicContact CB-SD 3.59Å; Q353-M387 VanDerWaalsContact CB-SD 3.59Å; Q353-M387 HydrophobicContact CG-CE 4.08Å; Q353-M387 HydrophobicContact CG-CG 3.75Å; Q353-M387 HydrophobicContact CG-SD 3.59Å; Q353-M387 VanDerWaalsContact CG-SD 3.59Å; Q353-V391 HydrophobicContact CG-CG2 3.76Å
354	A	98.3	Very high	92.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.1	-44.3	178.4	0	0	0	0	0	111.6	C201 F204 R205 A350 L351 M357 T358 F360	C201-A354 PolarHBondContact SG-N 3.34Å; F204-A354 HydrophobicContact CB-CB 3.83Å; R205-A354 HydrophobicContact CG-CB 3.79Å; A350-A354 VanDerWaalsContact O-CB 3.3Å; A350-A354 WeakPolarHBondContact O-CB 3.3Å; A350-A354 PolarHBondContact O-N 2.74Å; L351-A354 PolarHBondContact O-N 3.27Å; A354-M357 PolarHBondContact O-N 3.33Å; A354-T358 CarbonylContact O-C 3.44Å; A354-T358 WeakPolarHBondContact O-CA 3.5Å; A354-T358 PolarHBondContact O-N 3.28Å; A354-F360 HydrophobicContact CB-CE1 4.46Å; A354-F360 HydrophobicContact CB-CZ 3.93Å
355	V	97.2	Very high	90.9	Very high	7 Å²	7	38 Å²	38	4%	0.042	20%	0.201	C	C	.	.	H	α-helix	trans	-73.4	-29.1	179.4	-61.1	0	0	0	0	113.4	L351 G352 P359 F360 V394 L411 H416	L351-V355 WeakPolarHBondContact O-CG2 3.45Å; L351-V355 PolarHBondContact O-N 3.18Å; G352-V355 VanDerWaalsContact O-CG2 3.23Å; G352-V355 WeakPolarHBondContact O-CG2 3.5Å; V355-P359 WeakPolarHBondContact O-CA 3.46Å; V355-F360 HydrophobicContact CG1-CD1 4.49Å; V355-F360 HydrophobicContact CG1-CD2 3.52Å; V355-F360 HydrophobicContact CG1-CE1 4.34Å; V355-F360 HydrophobicContact CG1-CE2 3.35Å; V355-F360 HydrophobicContact CG1-CG 4.1Å; V355-F360 HydrophobicContact CG1-CZ 3.8Å; V355-V394 HydrophobicContact CG2-CG2 4.08Å; V355-L411 HydrophobicContact CB-CD2 4.33Å; V355-L411 HydrophobicContact CG1-CB 4.47Å; V355-L411 HydrophobicContact CG1-CD1 4.1Å; V355-L411 HydrophobicContact CG1-CD2 4Å; V355-L411 HydrophobicContact CG1-CG 4.42Å; V355-L411 HydrophobicContact CG2-CD2 4.12Å; V355-H416 HydrophobicContact CG2-CB 4.29Å
356	A	96.5	Very high	89	Confident	7 Å²	7	38.2 Å²	38.2	6%	0.058	21%	0.205	C	C	.	.	H	α-helix	trans	-65.4	-45.9	171.6	0	0	0	0	0	110.8	G352 Q353 A374 W383 M387 A390	G352-A356 WeakPolarHBondContact O-CB 3.48Å; G352-A356 PolarHBondContact O-N 3.08Å; G352-A356 VanDerWaalsContact O-N 3.07Å; Q353-A356 PolarHBondContact O-N 2.75Å; A356-A374 VanDerWaalsContact O-CB 3.26Å; A356-A374 WeakPolarHBondContact O-CB 3.38Å; A356-W383 HydrophobicContact CB-CH2 3.94Å; A356-W383 HydrophobicContact CB-CZ3 4.49Å; A356-M387 HydrophobicContact CB-SD 3.68Å; A356-A390 HydrophobicContact CB-CB 3.62Å
357	M	95.9	Very high	86.8	Confident	33 Å²	33	45.3 Å²	45.3	16%	0.163	24%	0.235	C	C	.	.	H	α-helix	trans	-80.5	-37	-173.9	-166.7	179.9	179.2	0	0	112.8	R205 Q353 A354 N373 A374 W383	R205-M357 VanDerWaalsContact CZ-CE 3.5Å; R205-M357 PolarHBondContact NE-SD 3.06Å; Q353-M357 WeakPolarHBondContact O-CB 3.46Å; Q353-M357 PolarHBondContact O-N 2.8Å; A354-M357 PolarHBondContact O-N 3.33Å; M357-N373 HydrophobicContact CE-CB 4.27Å; M357-N373 VanDerWaalsContact CE-CG 3.44Å; M357-N373 WeakPolarHBondContact CE-OD1 3.41Å; M357-N373 VanDerWaalsContact CG-OD1 3.3Å; M357-N373 WeakPolarHBondContact CG-OD1 3.13Å; M357-N373 CarbonylContact O-C 3.53Å; M357-N373 VanDerWaalsContact O-CA 3.32Å; M357-N373 WeakPolarHBondContact O-CA 3.27Å; M357-A374 PolarHBondContact O-N 2.84Å; M357-W383 HydrophobicContact CB-CH2 3.94Å; M357-W383 HydrophobicContact CB-CZ2 3.89Å; M357-W383 HydrophobicContact CG-CH2 4.37Å; M357-W383 HydrophobicContact CG-CZ2 4.06Å
358	T	95.5	Very high	84.6	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	-135.7	84.7	-178.6	-53.2	0	0	0	0	107.8	R205 A354 F360 I372	R205-T358 PolarHBondContact NE-OG1 2.86Å; A354-T358 CarbonylContact O-C 3.44Å; A354-T358 WeakPolarHBondContact O-CA 3.5Å; A354-T358 PolarHBondContact O-N 3.28Å; T358-F360 WeakPolarHBondContact O-CD1 3.42Å; T358-F360 VanDerWaalsContact O-CE1 3.27Å; T358-F360 WeakPolarHBondContact O-CE1 3.18Å; T358-F360 PolarHBondContact O-N 2.85Å; T358-I372 PolarHBondContact OG1-O 2.88Å
359	P	94.5	Very high	83.1	Confident	32 Å²	32	54.8 Å²	54.8	21%	0.208	30%	0.297	C	S	.	.			trans	-54.1	127.1	178.8	-26.9	34.9	0	0	0	111.7	V355	V355-P359 WeakPolarHBondContact O-CA 3.46Å
360	F	93.3	Very high	82.4	Confident	6 Å²	6	57.4 Å²	57.4	3%	0.026	30%	0.304	C	S	.	.	S	Bend	trans	-81.4	-21.9	-178	-54.5	-25.1	0	0	0	113.2	L215 L351 A354 V355 T358 F362 L412	L215-F360 HydrophobicContact CD2-CD2 3.72Å; L215-F360 HydrophobicContact CD2-CE2 3.5Å; L215-F360 VanDerWaalsContact CD2-CE2 3.5Å; L215-F360 HydrophobicContact CD2-CZ 4.38Å; L351-F360 HydrophobicContact CD1-CE2 3.89Å; L351-F360 HydrophobicContact CD1-CZ 4.48Å; A354-F360 HydrophobicContact CB-CE1 4.46Å; A354-F360 HydrophobicContact CB-CZ 3.93Å; V355-F360 HydrophobicContact CG1-CD1 4.49Å; V355-F360 HydrophobicContact CG1-CD2 3.52Å; V355-F360 HydrophobicContact CG1-CE1 4.34Å; V355-F360 HydrophobicContact CG1-CE2 3.35Å; V355-F360 HydrophobicContact CG1-CG 4.1Å; V355-F360 HydrophobicContact CG1-CZ 3.8Å; T358-F360 WeakPolarHBondContact O-CD1 3.42Å; T358-F360 VanDerWaalsContact O-CE1 3.27Å; T358-F360 WeakPolarHBondContact O-CE1 3.18Å; T358-F360 PolarHBondContact O-N 2.85Å; F360-F362 WeakPolarHBondContact O-CD1 3.14Å; F360-L412 HydrophobicContact CB-CD2 3.75Å; F360-L412 HydrophobicContact CD2-CD2 4.34Å; F360-L412 HydrophobicContact CG-CD2 4.4Å
361	H	87.4	Confident	82	Confident	69 Å²	69	61.5 Å²	61.5	32%	0.319	33%	0.325	S	S	.	.			trans	-77.8	128.2	173.2	67.6	-83.5	0	0	0	109.7	K414 S415	H361-K414 PolarHBondContact ND1-O 3.13Å; H361-S415 VanDerWaalsContact CE1-CA 3.44Å; H361-S415 WeakPolarHBondContact CE1-CA 2.99Å
362	F	79.9	Confident	81.7	Confident	92 Å²	92	63.1 Å²	63.1	40%	0.404	33%	0.334	S	S	.	.			trans	-147.3	146.5	170.9	61.7	-88	0	0	0	110.3	F360 V364	F360-F362 WeakPolarHBondContact O-CD1 3.14Å; F362-V364 HydrophobicContact CE2-CG2 4.46Å
363	K	65.7	Low	81.4	Confident	164 Å²	164	65.1 Å²	65.1	71%	0.713	34%	0.344	S	S	*	.			trans	-81.3	121.8	174.6	-67.9	-178.5	-178.5	174.7	0	108.7	S365 D366	K363-S365 PolarHBondContact O-N 3.38Å; K363-S365 VanDerWaalsContact O-N 3.11Å; K363-D366 PolarHBondContact O-N 2.89Å
364	V	62.4	Low	81.1	Confident	110 Å²	110	64.4 Å²	64.4	67%	0.667	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.1	178	179.3	0	0	0	0	112.3	F362 D366	F362-V364 HydrophobicContact CE2-CG2 4.46Å; V364-D366 PolarHBondContact O-N 2.92Å
365	S	59.4	Low	80.8	Confident	116 Å²	116	65.9 Å²	65.9	81%	0.811	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-15	176.2	59.4	0	0	0	0	114.2	K363	K363-S365 PolarHBondContact O-N 3.38Å; K363-S365 VanDerWaalsContact O-N 3.11Å
366	D	55.2	Low	80.5	Confident	87 Å²	87	71.3 Å²	71.3	47%	0.465	39%	0.385	S	S	.	.			trans	-120.4	63.7	-174.8	-155.8	-8.7	0	0	0	110.1	K363 V364 S368	K363-D366 PolarHBondContact O-N 2.89Å; V364-D366 PolarHBondContact O-N 2.92Å; D366-S368 PolarHBondContact O-N 3.44Å; D366-S368 VanDerWaalsContact O-N 3.16Å; D366-S368 PolarHBondContact OD1-OG 3.43Å
367	K	52.3	Low	80.1	Confident	158 Å²	158	75.2 Å²	75.2	69%	0.687	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.3	180	-73.5	-173.4	177.8	-179	0	113	T369	K367-T369 PolarHBondContact O-N 3.26Å
368	S	53	Low	79.9	Confident	106 Å²	106	77.1 Å²	77.1	74%	0.741	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-6.6	-172.2	31.6	0	0	0	0	116	D366	D366-S368 PolarHBondContact O-N 3.44Å; D366-S368 VanDerWaalsContact O-N 3.16Å; D366-S368 PolarHBondContact OD1-OG 3.43Å
369	T	66.7	Low	79.8	Confident	94 Å²	94	79.4 Å²	79.4	58%	0.577	45%	0.451	S	S	*	.			trans	-145	51	-172.2	-21.7	0	0	0	0	114.5	K367 I371	K367-T369 PolarHBondContact O-N 3.26Å; T369-I371 PolarHBondContact O-N 3.27Å; T369-I371 VanDerWaalsContact O-N 3.15Å
370	R	83.5	Confident	79.8	Confident	79 Å²	79	82.2 Å²	82.2	30%	0.298	47%	0.472	S	S	.	.			trans	-66	114.9	167	-75	-169.2	-179.3	166.7	2.1	109.6	E171 I372	E171-R370 VanDerWaalsContact CD-NH1 3.26Å; E171-R370 IonicContact OE1-CZ 2.73Å; E171-R370 VanDerWaalsContact OE1-CZ 3.24Å; E171-R370 IonicContact OE1-NH1 2.83Å; E171-R370 PolarHBondContact OE1-NH1 2.85Å; E171-R370 IonicContact OE1-NH2 3.37Å; E171-R370 PolarHBondContact OE1-NH2 3.35Å; E171-R370 IonicContact OE2-NH1 2.81Å; E171-R370 PolarHBondContact OE2-NH1 3.43Å; R370-I372 HydrophobicContact CB-CD1 4.29Å; R370-I372 PolarHBondContact O-N 3.05Å; R370-I372 VanDerWaalsContact O-N 3.11Å
371	I	89.7	Confident	79.8	Confident	86 Å²	86	88.1 Å²	88.1	44%	0.441	50%	0.5	S	S	.	.			trans	-72.1	105.2	177.1	-60.3	172.4	0	0	0	108.9	T369 A374	T369-I371 PolarHBondContact O-N 3.27Å; T369-I371 VanDerWaalsContact O-N 3.15Å; I371-A374 HydrophobicContact CG2-CB 3.78Å
372	I	91.9	Very high	80.2	Confident	35 Å²	35	90 Å²	90	18%	0.179	51%	0.509	C	S	.	.	S	Bend	trans	-84.5	-34.2	178.1	-55.6	-53.2	0	0	0	111.8	P163 I164 R205 L209 T358 R370	P163-I372 HydrophobicContact CG-CG2 3.65Å; I164-I372 HydrophobicContact CD1-CD1 3.81Å; I164-I372 HydrophobicContact CD1-CG1 4.4Å; I164-I372 HydrophobicContact CG1-CD1 4.48Å; R205-I372 PolarHBondContact NH2-O 3.26Å; L209-I372 HydrophobicContact CD1-CD1 4.23Å; L209-I372 HydrophobicContact CD2-CD1 3.65Å; T358-I372 PolarHBondContact OG1-O 2.88Å; R370-I372 HydrophobicContact CB-CD1 4.29Å; R370-I372 PolarHBondContact O-N 3.05Å; R370-I372 VanDerWaalsContact O-N 3.11Å
373	N	92.6	Very high	81	Confident	42 Å²	42	87.7 Å²	87.7	23%	0.225	50%	0.497	C	S	.	.			trans	-143	101.1	175.3	-173	10.4	0	0	0	110.6	M357 S375 N376	M357-N373 HydrophobicContact CE-CB 4.27Å; M357-N373 VanDerWaalsContact CE-CG 3.44Å; M357-N373 WeakPolarHBondContact CE-OD1 3.41Å; M357-N373 VanDerWaalsContact CG-OD1 3.3Å; M357-N373 WeakPolarHBondContact CG-OD1 3.13Å; M357-N373 CarbonylContact O-C 3.53Å; M357-N373 VanDerWaalsContact O-CA 3.32Å; M357-N373 WeakPolarHBondContact O-CA 3.27Å; N373-S375 PolarHBondContact ND2-OG 3.46Å; N373-S375 VanDerWaalsContact ND2-OG 3.09Å; N373-S375 PolarHBondContact O-N 3.48Å; N373-S375 WeakPolarHBondContact OD1-CB 3.03Å; N373-S375 PolarHBondContact OD1-N 3.46Å; N373-S375 VanDerWaalsContact OD1-N 3.08Å; N373-S375 PolarHBondContact OD1-OG 2.85Å; N373-N376 PolarHBondContact ND2-OD1 2.96Å
374	A	92.6	Very high	82.4	Confident	30 Å²	30	86.5 Å²	86.5	25%	0.248	49%	0.492	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-15.6	177.1	0	0	0	0	0	113.4	A356 M357 I371 N376 W383	A356-A374 VanDerWaalsContact O-CB 3.26Å; A356-A374 WeakPolarHBondContact O-CB 3.38Å; M357-A374 PolarHBondContact O-N 2.84Å; I371-A374 HydrophobicContact CG2-CB 3.78Å; A374-N376 PolarHBondContact O-N 3.37Å; A374-W383 HydrophobicContact CB-CZ3 4.32Å
375	S	92.2	Very high	84.1	Confident	30 Å²	30	85.3 Å²	85.3	21%	0.21	49%	0.485	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-12.7	179.4	85.5	0	0	0	0	113.2	N373 G377 M378	N373-S375 PolarHBondContact ND2-OG 3.46Å; N373-S375 VanDerWaalsContact ND2-OG 3.09Å; N373-S375 PolarHBondContact O-N 3.48Å; N373-S375 WeakPolarHBondContact OD1-CB 3.03Å; N373-S375 PolarHBondContact OD1-N 3.46Å; N373-S375 VanDerWaalsContact OD1-N 3.08Å; N373-S375 PolarHBondContact OD1-OG 2.85Å; S375-G377 PolarHBondContact O-N 3.35Å; S375-M378 PolarHBondContact O-N 2.94Å
376	N	89.5	Confident	85.8	Confident	121 Å²	121	82.1 Å²	82.1	65%	0.647	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	125	-177.4	-72.8	-12.8	0	0	0	110.5	N373 A374	N373-N376 PolarHBondContact ND2-OD1 2.96Å; A374-N376 PolarHBondContact O-N 3.37Å
377	G	88.5	Confident	87.8	Confident	89 Å²	89	79.1 Å²	79.1	92%	0.918	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	1.4	179.8	0	0	0	0	0	115	S375	S375-G377 PolarHBondContact O-N 3.35Å
378	M	91.2	Very high	89.9	Confident	73 Å²	73	75.8 Å²	75.8	36%	0.36	43%	0.434	S	S	.	.	S	Bend	trans	-101.9	150.6	174.7	-57.8	-176.7	76.9	0	0	111.3	S375 Q382 W383 T386	S375-M378 PolarHBondContact O-N 2.94Å; M378-Q382 HydrophobicContact CB-CB 4.43Å; M378-Q382 HydrophobicContact CE-CB 4.05Å; M378-W383 HydrophobicContact CB-CB 4.42Å; M378-W383 HydrophobicContact SD-CE3 4.01Å; M378-T386 VanDerWaalsContact CE-OG1 3.26Å; M378-T386 WeakPolarHBondContact CE-OG1 3.48Å
379	S	94.4	Very high	92.1	Very high	48 Å²	48	74.7 Å²	74.7	34%	0.336	42%	0.419	S	S	.	.			trans	-68.3	161.6	167.4	96.1	0	0	0	0	111.1	E381 Q382 W383	S379-E381 VanDerWaalsContact C-N 3.27Å; S379-E381 PolarHBondContact O-N 3.11Å; S379-E381 PolarHBondContact OG-N 3.23Å; S379-E381 PolarHBondContact OG-OE2 3.03Å; S379-Q382 PolarHBondContact O-N 3.34Å; S379-Q382 WeakPolarHBondContact OG-CG 3.44Å; S379-Q382 PolarHBondContact OG-N 3.15Å; S379-W383 WeakPolarHBondContact O-CB 3.48Å; S379-W383 PolarHBondContact O-N 3.31Å
380	S	93.5	Very high	93.6	Very high	91 Å²	91	70.2 Å²	70.2	64%	0.636	39%	0.391	S	S	*	.	H	α-helix	trans	-57.9	-40.6	176.7	179.5	0	0	0	0	112	K384	S380-K384 WeakPolarHBondContact O-CB 3.49Å; S380-K384 PolarHBondContact O-N 3Å
381	E	94.7	Very high	94.3	Very high	131 Å²	131	66.9 Å²	66.9	61%	0.612	38%	0.38	S	S	*	.	H	α-helix	trans	-69.5	-46.8	-179.7	-60.7	66.9	-143.3	0	0	111.2	S379 W383 K384 V385	S379-E381 VanDerWaalsContact C-N 3.27Å; S379-E381 PolarHBondContact O-N 3.11Å; S379-E381 PolarHBondContact OG-N 3.23Å; S379-E381 PolarHBondContact OG-OE2 3.03Å; E381-W383 VanDerWaalsContact C-N 3.31Å; E381-W383 PolarHBondContact O-N 3.06Å; E381-K384 PolarHBondContact O-N 3.34Å; E381-V385 WeakPolarHBondContact O-CG2 3.34Å; E381-V385 PolarHBondContact O-N 2.89Å; E381-V385 VanDerWaalsContact O-N 3.09Å
382	Q	95.2	Very high	94.6	Very high	108 Å²	108	64.9 Å²	64.9	51%	0.505	38%	0.376	S	S	.	.	H	α-helix	trans	-61.4	-41.7	176.8	-70	173.7	-32.7	0	0	111.5	M378 S379 V385 T386	M378-Q382 HydrophobicContact CB-CB 4.43Å; M378-Q382 HydrophobicContact CE-CB 4.05Å; S379-Q382 PolarHBondContact O-N 3.34Å; S379-Q382 WeakPolarHBondContact OG-CG 3.44Å; S379-Q382 PolarHBondContact OG-N 3.15Å; Q382-V385 PolarHBondContact O-N 3.22Å; Q382-T386 PolarHBondContact O-N 3.29Å; Q382-T386 PolarHBondContact O-OG1 2.78Å
383	W	96	Very high	94.9	Very high	43 Å²	43	65.1 Å²	65.1	16%	0.163	38%	0.377	C	S	.	.	H	α-helix	trans	-65.3	-42.5	177.7	177.2	-125.8	0	0	0	111.9	A356 M357 A374 M378 S379 E381 V385 T386 M387	A356-W383 HydrophobicContact CB-CH2 3.94Å; A356-W383 HydrophobicContact CB-CZ3 4.49Å; M357-W383 HydrophobicContact CB-CH2 3.94Å; M357-W383 HydrophobicContact CB-CZ2 3.89Å; M357-W383 HydrophobicContact CG-CH2 4.37Å; M357-W383 HydrophobicContact CG-CZ2 4.06Å; A374-W383 HydrophobicContact CB-CZ3 4.32Å; M378-W383 HydrophobicContact CB-CB 4.42Å; M378-W383 HydrophobicContact SD-CE3 4.01Å; S379-W383 WeakPolarHBondContact O-CB 3.48Å; S379-W383 PolarHBondContact O-N 3.31Å; E381-W383 VanDerWaalsContact C-N 3.31Å; E381-W383 PolarHBondContact O-N 3.06Å; W383-V385 PolarHBondContact O-N 3.3Å; W383-T386 HydrophobicContact CE3-CG2 4.34Å; W383-T386 HydrophobicContact CZ3-CG2 4.12Å; W383-T386 PolarHBondContact O-N 3.27Å; W383-M387 HydrophobicContact CH2-CE 4.13Å; W383-M387 HydrophobicContact CH2-SD 4.1Å; W383-M387 HydrophobicContact CZ2-CE 3.21Å; W383-M387 HydrophobicContact CZ2-SD 3.75Å; W383-M387 VanDerWaalsContact O-CB 3.28Å; W383-M387 WeakPolarHBondContact O-CB 3.29Å; W383-M387 PolarHBondContact O-N 3.39Å
384	K	96.2	Very high	95.2	Very high	139 Å²	139	63.1 Å²	63.1	60%	0.604	37%	0.367	S	S	*	.	H	α-helix	trans	-58.2	-46.9	176	-175.4	-178.3	175.5	-171.6	0	111.7	S380 E381 T386 M387 D388	S380-K384 WeakPolarHBondContact O-CB 3.49Å; S380-K384 PolarHBondContact O-N 3Å; E381-K384 PolarHBondContact O-N 3.34Å; K384-T386 PolarHBondContact O-N 3.02Å; K384-M387 WeakPolarHBondContact O-CB 3.28Å; K384-M387 PolarHBondContact O-N 2.87Å; K384-D388 WeakPolarHBondContact O-CB 3.5Å; K384-D388 VanDerWaalsContact O-CG 3.28Å; K384-D388 PolarHBondContact O-N 2.81Å
385	V	96.9	Very high	95.4	Very high	86 Å²	86	64.4 Å²	64.4	52%	0.521	37%	0.367	S	S	.	.	H	α-helix	trans	-61	-46.7	177.5	173.5	0	0	0	0	111.3	E381 Q382 W383 M387 D388 I389	E381-V385 WeakPolarHBondContact O-CG2 3.34Å; E381-V385 PolarHBondContact O-N 2.89Å; E381-V385 VanDerWaalsContact O-N 3.09Å; Q382-V385 PolarHBondContact O-N 3.22Å; W383-V385 PolarHBondContact O-N 3.3Å; V385-M387 VanDerWaalsContact C-N 3.31Å; V385-M387 PolarHBondContact O-N 3.41Å; V385-D388 PolarHBondContact O-N 3.16Å; V385-I389 HydrophobicContact CG1-CD1 3.94Å; V385-I389 WeakPolarHBondContact O-CG1 3.36Å; V385-I389 PolarHBondContact O-N 2.93Å
386	T	95.9	Very high	95.5	Very high	49 Å²	49	70 Å²	70	30%	0.301	38%	0.383	S	S	.	.	H	α-helix	trans	-59.3	-44.2	178.3	-56.2	0	0	0	0	111.4	M378 Q382 W383 K384 I389 A390	M378-T386 VanDerWaalsContact CE-OG1 3.26Å; M378-T386 WeakPolarHBondContact CE-OG1 3.48Å; Q382-T386 PolarHBondContact O-N 3.29Å; Q382-T386 PolarHBondContact O-OG1 2.78Å; W383-T386 HydrophobicContact CE3-CG2 4.34Å; W383-T386 HydrophobicContact CZ3-CG2 4.12Å; W383-T386 PolarHBondContact O-N 3.27Å; K384-T386 PolarHBondContact O-N 3.02Å; T386-I389 PolarHBondContact O-N 2.75Å; T386-A390 PolarHBondContact O-N 3.03Å; T386-A390 VanDerWaalsContact O-N 3.15Å
387	M	96.3	Very high	95.8	Very high	24 Å²	24	64.3 Å²	64.3	12%	0.118	35%	0.353	C	S	.	.	H	α-helix	trans	-62	-46.5	177	-167.7	77.9	99.1	0	0	111.9	Q353 A356 W383 K384 V385 I389 A390 V391	Q353-M387 WeakPolarHBondContact CA-SD 3.3Å; Q353-M387 HydrophobicContact CB-CE 4.01Å; Q353-M387 HydrophobicContact CB-CG 4.43Å; Q353-M387 HydrophobicContact CB-SD 3.59Å; Q353-M387 VanDerWaalsContact CB-SD 3.59Å; Q353-M387 HydrophobicContact CG-CE 4.08Å; Q353-M387 HydrophobicContact CG-CG 3.75Å; Q353-M387 HydrophobicContact CG-SD 3.59Å; Q353-M387 VanDerWaalsContact CG-SD 3.59Å; A356-M387 HydrophobicContact CB-SD 3.68Å; W383-M387 HydrophobicContact CH2-CE 4.13Å; W383-M387 HydrophobicContact CH2-SD 4.1Å; W383-M387 HydrophobicContact CZ2-CE 3.21Å; W383-M387 HydrophobicContact CZ2-SD 3.75Å; W383-M387 VanDerWaalsContact O-CB 3.28Å; W383-M387 WeakPolarHBondContact O-CB 3.29Å; W383-M387 PolarHBondContact O-N 3.39Å; K384-M387 WeakPolarHBondContact O-CB 3.28Å; K384-M387 PolarHBondContact O-N 2.87Å; V385-M387 VanDerWaalsContact C-N 3.31Å; V385-M387 PolarHBondContact O-N 3.41Å; M387-I389 VanDerWaalsContact C-N 3.34Å; M387-I389 PolarHBondContact O-N 2.85Å; M387-A390 PolarHBondContact O-N 3.08Å; M387-V391 WeakPolarHBondContact O-CB 2.96Å; M387-V391 VanDerWaalsContact O-CG2 3.32Å; M387-V391 WeakPolarHBondContact O-CG2 3.46Å; M387-V391 PolarHBondContact O-N 3.04Å
388	D	97.9	Very high	96.2	Very high	87 Å²	87	60.5 Å²	60.5	47%	0.465	31%	0.311	S	S	.	.	H	α-helix	trans	-64.8	-38.3	-178.2	-73.3	-22.5	0	0	0	111.4	K384 V385 V391 A392	K384-D388 WeakPolarHBondContact O-CB 3.5Å; K384-D388 VanDerWaalsContact O-CG 3.28Å; K384-D388 PolarHBondContact O-N 2.81Å; V385-D388 PolarHBondContact O-N 3.16Å; D388-V391 PolarHBondContact O-N 2.81Å; D388-A392 WeakPolarHBondContact O-CB 3.25Å; D388-A392 PolarHBondContact O-N 3.15Å
389	I	98.1	Very high	96.3	Very high	83 Å²	83	58.1 Å²	58.1	43%	0.426	30%	0.302	S	S	.	.	H	α-helix	trans	-61.5	-49.4	173.4	-68.7	167	0	0	0	111	V385 T386 M387 V391 A392 N393	V385-I389 HydrophobicContact CG1-CD1 3.94Å; V385-I389 WeakPolarHBondContact O-CG1 3.36Å; V385-I389 PolarHBondContact O-N 2.93Å; T386-I389 PolarHBondContact O-N 2.75Å; M387-I389 VanDerWaalsContact C-N 3.34Å; M387-I389 PolarHBondContact O-N 2.85Å; I389-V391 VanDerWaalsContact C-N 3.35Å; I389-V391 PolarHBondContact O-N 3.28Å; I389-A392 PolarHBondContact O-N 2.7Å; I389-N393 PolarHBondContact O-N 3.02Å; I389-N393 PolarHBondContact O-OD1 3.36Å
390	A	98.1	Very high	96.2	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.9	-42.8	179.8	0	0	0	0	0	112.4	A356 T386 M387 A392 N393 V394	A356-A390 HydrophobicContact CB-CB 3.62Å; T386-A390 PolarHBondContact O-N 3.03Å; T386-A390 VanDerWaalsContact O-N 3.15Å; M387-A390 PolarHBondContact O-N 3.08Å; A390-A392 VanDerWaalsContact C-N 3.34Å; A390-A392 PolarHBondContact O-N 3.27Å; A390-N393 PolarHBondContact O-N 3.46Å; A390-V394 WeakPolarHBondContact O-CG2 3.22Å; A390-V394 PolarHBondContact O-N 3.47Å
391	V	98.4	Very high	96.3	Very high	10 Å²	10	52.7 Å²	52.7	6%	0.061	26%	0.262	C	S	.	.	H	α-helix	trans	-60.6	-43.9	174.2	168	0	0	0	0	111.2	T349 Q353 M387 D388 I389 K395	T349-V391 HydrophobicContact CG2-CG1 4.03Å; T349-V391 HydrophobicContact CG2-CG2 4.2Å; Q353-V391 HydrophobicContact CG-CG2 3.76Å; M387-V391 WeakPolarHBondContact O-CB 2.96Å; M387-V391 VanDerWaalsContact O-CG2 3.32Å; M387-V391 WeakPolarHBondContact O-CG2 3.46Å; M387-V391 PolarHBondContact O-N 3.04Å; D388-V391 PolarHBondContact O-N 2.81Å; I389-V391 VanDerWaalsContact C-N 3.35Å; I389-V391 PolarHBondContact O-N 3.28Å; V391-K395 HydrophobicContact CG1-CD 3.97Å; V391-K395 WeakPolarHBondContact O-CB 3.32Å; V391-K395 WeakPolarHBondContact O-CG 3.37Å; V391-K395 PolarHBondContact O-N 3.29Å
392	A	97.3	Very high	96.3	Very high	44 Å²	44	46.7 Å²	46.7	36%	0.364	24%	0.235	S	C	.	.	H	α-helix	trans	-62.5	-43.9	178	0	0	0	0	0	111.7	D388 I389 A390 K395 R396	D388-A392 WeakPolarHBondContact O-CB 3.25Å; D388-A392 PolarHBondContact O-N 3.15Å; I389-A392 PolarHBondContact O-N 2.7Å; A390-A392 VanDerWaalsContact C-N 3.34Å; A390-A392 PolarHBondContact O-N 3.27Å; A392-K395 PolarHBondContact O-N 3.42Å; A392-R396 VanDerWaalsContact O-CB 3.31Å; A392-R396 WeakPolarHBondContact O-CB 3.38Å; A392-R396 PolarHBondContact O-N 3.18Å
393	N	97.8	Very high	96.4	Very high	39 Å²	39	42.1 Å²	42.1	21%	0.209	21%	0.214	C	C	.	.	H	α-helix	trans	-63.1	-46.5	178.5	-69.8	0.8	0	0	0	112.1	I389 A390 K395 R396 A397 H416 L419	I389-N393 PolarHBondContact O-N 3.02Å; I389-N393 PolarHBondContact O-OD1 3.36Å; A390-N393 PolarHBondContact O-N 3.46Å; N393-K395 PolarHBondContact O-N 3.04Å; N393-R396 PolarHBondContact O-N 3.05Å; N393-A397 VanDerWaalsContact O-CB 3.26Å; N393-A397 WeakPolarHBondContact O-CB 3.34Å; N393-A397 PolarHBondContact O-N 3.22Å; N393-H416 WeakPolarHBondContact CB-O 3.27Å; N393-H416 PolarHBondContact ND2-ND1 2.9Å; N393-H416 PolarHBondContact ND2-O 2.9Å; N393-H416 VanDerWaalsContact ND2-O 3.12Å; N393-L419 HydrophobicContact CB-CD1 4.46Å
394	V	98.2	Very high	96.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.1	-43	178	169.6	0	0	0	0	111.4	L348 L351 V355 A390 Y398 L407 L411 L419	L348-V394 HydrophobicContact CD2-CG1 4.2Å; L351-V394 HydrophobicContact CD2-CG1 4.21Å; L351-V394 HydrophobicContact CG-CG1 4.4Å; V355-V394 HydrophobicContact CG2-CG2 4.08Å; A390-V394 WeakPolarHBondContact O-CG2 3.22Å; A390-V394 PolarHBondContact O-N 3.47Å; V394-Y398 PolarHBondContact O-N 3.41Å; V394-Y398 VanDerWaalsContact O-N 3.08Å; V394-L407 HydrophobicContact CG1-CD2 4.19Å; V394-L411 HydrophobicContact CG2-CD1 4.32Å; V394-L411 HydrophobicContact CG2-CD2 4.14Å; V394-L419 HydrophobicContact CG2-CD1 3.96Å
395	K	96.9	Very high	96.5	Very high	58 Å²	58	36 Å²	36	25%	0.252	20%	0.195	S	C	.	.	H	α-helix	trans	-64.1	-46.3	176.4	-75.9	176.6	177.7	171.8	0	111.8	L348 T349 V391 A392 N393 Y398 C399	L348-K395 HydrophobicContact CB-CG 3.96Å; L348-K395 HydrophobicContact CD1-CG 4.43Å; T349-K395 WeakPolarHBondContact OG1-CE 3.34Å; T349-K395 PolarHBondContact OG1-NZ 3.38Å; V391-K395 HydrophobicContact CG1-CD 3.97Å; V391-K395 WeakPolarHBondContact O-CB 3.32Å; V391-K395 WeakPolarHBondContact O-CG 3.37Å; V391-K395 PolarHBondContact O-N 3.29Å; A392-K395 PolarHBondContact O-N 3.42Å; N393-K395 PolarHBondContact O-N 3.04Å; K395-Y398 PolarHBondContact O-N 2.91Å; K395-C399 WeakPolarHBondContact O-CB 3.09Å; K395-C399 PolarHBondContact O-N 2.89Å; K395-C399 PolarHBondContact O-SG 3.36Å
396	R	94.8	Very high	96.4	Very high	147 Å²	147	37.5 Å²	37.5	56%	0.555	19%	0.191	S	C	*	.	H	α-helix	trans	-59.4	-49.7	178.4	-172.3	-173.1	-57.1	-100.6	1.8	110.8	A392 N393 Y398 C399 V400	A392-R396 VanDerWaalsContact O-CB 3.31Å; A392-R396 WeakPolarHBondContact O-CB 3.38Å; A392-R396 PolarHBondContact O-N 3.18Å; N393-R396 PolarHBondContact O-N 3.05Å; R396-Y398 VanDerWaalsContact C-N 3.35Å; R396-Y398 PolarHBondContact O-N 3.41Å; R396-C399 WeakPolarHBondContact O-CB 3.36Å; R396-C399 PolarHBondContact O-N 3.45Å; R396-C399 VanDerWaalsContact O-N 3.12Å; R396-V400 WeakPolarHBondContact O-CG2 3.2Å; R396-V400 PolarHBondContact O-N 3.47Å
397	A	96	Very high	96.5	Very high	2 Å²	2	35.1 Å²	35.1	2%	0.017	18%	0.177	C	C	.	.	H	α-helix	trans	-57	-44.6	178.6	0	0	0	0	0	112.6	N393 V400 C401 L407 L419 C423	N393-A397 VanDerWaalsContact O-CB 3.26Å; N393-A397 WeakPolarHBondContact O-CB 3.34Å; N393-A397 PolarHBondContact O-N 3.22Å; A397-V400 VanDerWaalsContact O-CG2 3.3Å; A397-V400 WeakPolarHBondContact O-CG2 3.25Å; A397-C401 PolarHBondContact O-N 3.45Å; A397-L407 HydrophobicContact CB-CD1 3.89Å; A397-L419 HydrophobicContact CB-CB 3.76Å; A397-L419 HydrophobicContact CB-CD1 3.97Å; A397-L419 HydrophobicContact CB-CG 4.38Å; A397-C423 HydrophobicContact CB-CB 3.84Å
398	Y	96.8	Very high	96.6	Very high	8 Å²	8	34 Å²	34	3%	0.031	17%	0.171	C	C	.	.	H	α-helix	trans	-68.1	-38.4	175.3	-175.5	-108.2	0	0	0	112.8	E344 L348 V394 K395 R396 C401 P402 Y404 L407	E344-Y398 HydrophobicContact CG-CE1 4.5Å; E344-Y398 PolarHBondContact OE1-OH 3Å; L348-Y398 HydrophobicContact CD1-CD1 3.58Å; L348-Y398 HydrophobicContact CD1-CE1 4.21Å; L348-Y398 HydrophobicContact CD1-CG 4.18Å; L348-Y398 HydrophobicContact CD2-CD1 4.04Å; L348-Y398 HydrophobicContact CD2-CD2 4.43Å; L348-Y398 HydrophobicContact CD2-CG 3.8Å; L348-Y398 HydrophobicContact CG-CD1 4.38Å; V394-Y398 PolarHBondContact O-N 3.41Å; V394-Y398 VanDerWaalsContact O-N 3.08Å; K395-Y398 PolarHBondContact O-N 2.91Å; R396-Y398 VanDerWaalsContact C-N 3.35Å; R396-Y398 PolarHBondContact O-N 3.41Å; Y398-C401 CarbonylContact O-C 3.57Å; Y398-C401 PolarHBondContact O-N 3.04Å; Y398-P402 HydrophobicContact CE2-CB 4.27Å; Y398-P402 WeakPolarHBondContact O-CA 3.49Å; Y398-P402 WeakPolarHBondContact O-CD 3.5Å; Y398-P402 VanDerWaalsContact O-CG 3.3Å; Y398-P402 WeakPolarHBondContact O-CG 3.35Å; Y398-Y404 HydrophobicContact CD2-CD1 4.06Å; Y398-Y404 AromaticContact CD2-CE1 3.79Å; Y398-Y404 HydrophobicContact CD2-CE1 3.79Å; Y398-Y404 HydrophobicContact CD2-CE2 4.39Å; Y398-Y404 HydrophobicContact CD2-CG 4.48Å; Y398-Y404 AromaticContact CD2-CZ 3.95Å; Y398-Y404 HydrophobicContact CE1-CE2 4.45Å; Y398-Y404 AromaticContact CE2-CD1 3.94Å; Y398-Y404 HydrophobicContact CE2-CD1 3.94Å; Y398-Y404 AromaticContact CE2-CD2 3.75Å; Y398-Y404 HydrophobicContact CE2-CD2 3.75Å; Y398-Y404 AromaticContact CE2-CE1 3.65Å; Y398-Y404 HydrophobicContact CE2-CE1 3.65Å; Y398-Y404 AromaticContact CE2-CE2 3.42Å; Y398-Y404 HydrophobicContact CE2-CE2 3.42Å; Y398-Y404 VanDerWaalsContact CE2-CE2 3.42Å; Y398-Y404 AromaticContact CE2-CG 3.98Å; Y398-Y404 HydrophobicContact CE2-CG 3.98Å; Y398-Y404 AromaticContact CE2-CZ 3.36Å; Y398-Y404 HydrophobicContact CG-CE1 4.37Å; Y398-Y404 AromaticContact CZ-CE2 3.44Å; Y398-Y404 VanDerWaalsContact CZ-CE2 3.44Å; Y398-Y404 AromaticContact CZ-CZ 3.37Å; Y398-Y404 WeakPolarHBondContact OH-CE2 3.32Å; Y398-Y404 PolarHBondContact OH-OH 3.23Å; Y398-L407 HydrophobicContact CD2-CD2 4.29Å
399	C	93.3	Very high	96.6	Very high	24 Å²	24	36.7 Å²	36.7	16%	0.162	18%	0.179	C	C	.	.	H	α-helix	trans	-61.2	-46.1	177.9	-76.9	0	0	0	0	111.5	K395 R396 P402 I657	K395-C399 WeakPolarHBondContact O-CB 3.09Å; K395-C399 PolarHBondContact O-N 2.89Å; K395-C399 PolarHBondContact O-SG 3.36Å; R396-C399 WeakPolarHBondContact O-CB 3.36Å; R396-C399 PolarHBondContact O-N 3.45Å; R396-C399 VanDerWaalsContact O-N 3.12Å; C399-P402 WeakPolarHBondContact O-CG 3.39Å; C399-I657 HydrophobicContact CB-CB 4.11Å; C399-I657 HydrophobicContact CB-CG2 3.71Å; C399-I657 WeakPolarHBondContact O-CG2 3.19Å
400	V	92.9	Very high	96.5	Very high	21 Å²	21	32.9 Å²	32.9	13%	0.127	16%	0.159	C	C	.	.	H	α-helix	trans	-75	-27.9	-179.2	-59.5	0	0	0	0	113.2	R396 A397 C423 I425 I593 I657	R396-V400 WeakPolarHBondContact O-CG2 3.2Å; R396-V400 PolarHBondContact O-N 3.47Å; A397-V400 VanDerWaalsContact O-CG2 3.3Å; A397-V400 WeakPolarHBondContact O-CG2 3.25Å; V400-C423 WeakPolarHBondContact CG2-O 3.45Å; V400-I425 HydrophobicContact CB-CG1 4.2Å; V400-I593 HydrophobicContact CG1-CD1 3.99Å; V400-I657 HydrophobicContact CB-CD1 4.45Å; V400-I657 HydrophobicContact CG1-CD1 3.77Å
401	C	94.2	Very high	96.5	Very high	3 Å²	3	33 Å²	33	2%	0.02	16%	0.16	C	C	.	.	S	Bend	trans	-136.4	84.4	175.9	178.7	0	0	0	0	110.1	A397 Y398 D403 C423	A397-C401 PolarHBondContact O-N 3.45Å; Y398-C401 CarbonylContact O-C 3.57Å; Y398-C401 PolarHBondContact O-N 3.04Å; C401-D403 PolarHBondContact O-N 2.96Å; C401-C423 HydrophobicContact CB-CB 4.07Å
402	P	95.7	Very high	96.3	Very high	5 Å²	5	34.8 Å²	34.8	3%	0.032	17%	0.169	C	C	.	.			trans	-68.6	57.9	-176.6	-25.2	37.3	0	0	0	116	Y398 C399 P430	Y398-P402 HydrophobicContact CE2-CB 4.27Å; Y398-P402 WeakPolarHBondContact O-CA 3.49Å; Y398-P402 WeakPolarHBondContact O-CD 3.5Å; Y398-P402 VanDerWaalsContact O-CG 3.3Å; Y398-P402 WeakPolarHBondContact O-CG 3.35Å; C399-P402 WeakPolarHBondContact O-CG 3.39Å; P402-P430 WeakPolarHBondContact CG-O 3.3Å
403	D	96.6	Very high	96.2	Very high	12 Å²	12	36.7 Å²	36.7	6%	0.064	18%	0.177	C	C	.	.			trans	-136.4	107.3	-179.2	-177.7	-25.9	0	0	0	109.7	Y230 C401 S405 R406 L407	Y230-D403 PolarHBondContact OH-OD2 3.08Å; C401-D403 PolarHBondContact O-N 2.96Å; D403-S405 VanDerWaalsContact C-N 3.28Å; D403-S405 PolarHBondContact O-N 3.28Å; D403-S405 WeakPolarHBondContact OD1-CA 3.27Å; D403-S405 WeakPolarHBondContact OD1-CB 3.06Å; D403-S405 PolarHBondContact OD1-N 3.19Å; D403-R406 HydrophobicContact CB-CB 4.11Å; D403-R406 HydrophobicContact CB-CG 4.16Å; D403-R406 PolarHBondContact O-N 3.47Å; D403-R406 PolarHBondContact OD1-N 2.98Å; D403-R406 WeakPolarHBondContact OD2-CD 3.32Å; D403-R406 IonicContact OD2-NE 3.03Å; D403-L407 WeakPolarHBondContact O-CB 3.34Å; D403-L407 PolarHBondContact O-N 3.09Å
404	Y	97.5	Very high	96	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-65.4	-29.7	178.6	-72	-68.1	0	0	0	113.4	V219 Y220 L223 E344 L348 Y398 R406 L407 I408	V219-Y404 HydrophobicContact CG1-CD1 3.51Å; V219-Y404 HydrophobicContact CG1-CD2 4.12Å; V219-Y404 HydrophobicContact CG1-CE1 3.8Å; V219-Y404 HydrophobicContact CG1-CE2 4.38Å; V219-Y404 HydrophobicContact CG1-CG 3.68Å; Y220-Y404 HydrophobicContact CD1-CD2 4.24Å; Y220-Y404 AromaticContact CE1-CD2 3.74Å; Y220-Y404 HydrophobicContact CE1-CD2 3.74Å; Y220-Y404 HydrophobicContact CE1-CG 4.44Å; L223-Y404 HydrophobicContact CD1-CD2 4.01Å; L223-Y404 HydrophobicContact CD1-CE1 4.48Å; L223-Y404 HydrophobicContact CD1-CE2 3.16Å; L223-Y404 VanDerWaalsContact CD1-CZ 3.46Å; L223-Y404 WeakPolarHBondContact CD1-OH 3.14Å; E344-Y404 WeakPolarHBondContact CG-OH 3.18Å; E344-Y404 PolarHBondContact OE1-OH 3.18Å; L348-Y404 HydrophobicContact CD2-CE1 3.73Å; L348-Y404 HydrophobicContact CG-CE1 4.49Å; Y398-Y404 HydrophobicContact CD2-CD1 4.06Å; Y398-Y404 AromaticContact CD2-CE1 3.79Å; Y398-Y404 HydrophobicContact CD2-CE1 3.79Å; Y398-Y404 HydrophobicContact CD2-CE2 4.39Å; Y398-Y404 HydrophobicContact CD2-CG 4.48Å; Y398-Y404 AromaticContact CD2-CZ 3.95Å; Y398-Y404 HydrophobicContact CE1-CE2 4.45Å; Y398-Y404 AromaticContact CE2-CD1 3.94Å; Y398-Y404 HydrophobicContact CE2-CD1 3.94Å; Y398-Y404 AromaticContact CE2-CD2 3.75Å; Y398-Y404 HydrophobicContact CE2-CD2 3.75Å; Y398-Y404 AromaticContact CE2-CE1 3.65Å; Y398-Y404 HydrophobicContact CE2-CE1 3.65Å; Y398-Y404 AromaticContact CE2-CE2 3.42Å; Y398-Y404 HydrophobicContact CE2-CE2 3.42Å; Y398-Y404 VanDerWaalsContact CE2-CE2 3.42Å; Y398-Y404 AromaticContact CE2-CG 3.98Å; Y398-Y404 HydrophobicContact CE2-CG 3.98Å; Y398-Y404 AromaticContact CE2-CZ 3.36Å; Y398-Y404 HydrophobicContact CG-CE1 4.37Å; Y398-Y404 AromaticContact CZ-CE2 3.44Å; Y398-Y404 VanDerWaalsContact CZ-CE2 3.44Å; Y398-Y404 AromaticContact CZ-CZ 3.37Å; Y398-Y404 WeakPolarHBondContact OH-CE2 3.32Å; Y398-Y404 PolarHBondContact OH-OH 3.23Å; Y404-R406 VanDerWaalsContact C-N 3.35Å; Y404-L407 HydrophobicContact CD1-CD2 4.2Å; Y404-L407 HydrophobicContact CE1-CD2 4.5Å; Y404-I408 WeakPolarHBondContact O-CB 3.12Å; Y404-I408 WeakPolarHBondContact O-CD1 3.4Å; Y404-I408 WeakPolarHBondContact O-CG1 3.12Å; Y404-I408 PolarHBondContact O-N 3.17Å
405	S	96.6	Very high	95.8	Very high	52 Å²	52	41.6 Å²	41.6	36%	0.364	20%	0.199	S	C	.	.	H	α-helix	trans	-65.2	-43.4	177.4	-50.9	0	0	0	0	110.1	D403 K409	D403-S405 VanDerWaalsContact C-N 3.28Å; D403-S405 PolarHBondContact O-N 3.28Å; D403-S405 WeakPolarHBondContact OD1-CA 3.27Å; D403-S405 WeakPolarHBondContact OD1-CB 3.06Å; D403-S405 PolarHBondContact OD1-N 3.19Å; S405-K409 WeakPolarHBondContact O-CB 3.46Å; S405-K409 PolarHBondContact O-N 2.78Å
406	R	96.3	Very high	95.7	Very high	118 Å²	118	40 Å²	40	45%	0.445	19%	0.193	S	C	.	.	H	α-helix	trans	-66.4	-49.3	174.8	-71.9	177.2	175.5	-108.9	1.7	112.3	D403 Y404 I408 K409 A410	D403-R406 HydrophobicContact CB-CB 4.11Å; D403-R406 HydrophobicContact CB-CG 4.16Å; D403-R406 PolarHBondContact O-N 3.47Å; D403-R406 PolarHBondContact OD1-N 2.98Å; D403-R406 WeakPolarHBondContact OD2-CD 3.32Å; D403-R406 IonicContact OD2-NE 3.03Å; Y404-R406 VanDerWaalsContact C-N 3.35Å; R406-I408 PolarHBondContact O-N 3.37Å; R406-K409 PolarHBondContact O-N 3.5Å; R406-A410 WeakPolarHBondContact O-CB 3.3Å; R406-A410 PolarHBondContact O-N 3.1Å
407	L	97.9	Very high	95.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.8	-48.3	178.6	173.6	62.5	0	0	0	111.9	L348 L351 V394 A397 Y398 D403 Y404 A410 L411 L419	L348-L407 HydrophobicContact CD2-CD2 4.19Å; L351-L407 HydrophobicContact CD2-CD2 4.21Å; V394-L407 HydrophobicContact CG1-CD2 4.19Å; A397-L407 HydrophobicContact CB-CD1 3.89Å; Y398-L407 HydrophobicContact CD2-CD2 4.29Å; D403-L407 WeakPolarHBondContact O-CB 3.34Å; D403-L407 PolarHBondContact O-N 3.09Å; Y404-L407 HydrophobicContact CD1-CD2 4.2Å; Y404-L407 HydrophobicContact CE1-CD2 4.5Å; L407-A410 WeakPolarHBondContact O-CB 3.3Å; L407-A410 PolarHBondContact O-N 3.37Å; L407-L411 HydrophobicContact CD1-CD1 4.12Å; L407-L411 HydrophobicContact CD1-CG 4.34Å; L407-L411 HydrophobicContact CG-CD1 4.09Å; L407-L411 WeakPolarHBondContact O-CG 3.36Å; L407-L411 PolarHBondContact O-N 2.96Å; L407-L419 HydrophobicContact CD1-CD1 4.12Å; L407-L419 HydrophobicContact CD1-CD2 4.18Å
408	I	98.2	Very high	95.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-67.8	-42.9	-178.9	-68.7	164.6	0	0	0	110.1	L215 T216 V219 Y404 R406 A410 L411 L412	L215-I408 HydrophobicContact CB-CG2 4.2Å; L215-I408 HydrophobicContact CD2-CG2 3.75Å; L215-I408 HydrophobicContact CG-CD1 4.33Å; L215-I408 HydrophobicContact CG-CG2 3.98Å; T216-I408 VanDerWaalsContact CA-CD1 3.47Å; T216-I408 HydrophobicContact CG2-CD1 4.38Å; V219-I408 HydrophobicContact CB-CD1 4.06Å; V219-I408 HydrophobicContact CG2-CD1 3.83Å; Y404-I408 WeakPolarHBondContact O-CB 3.12Å; Y404-I408 WeakPolarHBondContact O-CD1 3.4Å; Y404-I408 WeakPolarHBondContact O-CG1 3.12Å; Y404-I408 PolarHBondContact O-N 3.17Å; R406-I408 PolarHBondContact O-N 3.37Å; I408-A410 PolarHBondContact O-N 3.38Å; I408-L411 PolarHBondContact O-N 2.86Å; I408-L411 VanDerWaalsContact O-N 3.16Å; I408-L412 HydrophobicContact CG2-CD1 3.97Å; I408-L412 HydrophobicContact CG2-CG 4.15Å; I408-L412 WeakPolarHBondContact O-CB 3.39Å; I408-L412 VanDerWaalsContact O-CG 3.25Å; I408-L412 WeakPolarHBondContact O-CG 3.18Å; I408-L412 PolarHBondContact O-N 3.28Å
409	K	96.8	Very high	95.7	Very high	144 Å²	144	40.3 Å²	40.3	63%	0.626	20%	0.204	S	C	*	.	H	α-helix	trans	-56.3	-40	173.3	-176.3	179.7	179	-177.9	0	111.9	S405 R406 T413	S405-K409 WeakPolarHBondContact O-CB 3.46Å; S405-K409 PolarHBondContact O-N 2.78Å; R406-K409 PolarHBondContact O-N 3.5Å; K409-T413 WeakPolarHBondContact O-CG2 3.37Å; K409-T413 PolarHBondContact O-N 2.69Å; K409-T413 PolarHBondContact O-OG1 2.94Å
410	A	96.9	Very high	95.6	Very high	2 Å²	2	44 Å²	44	2%	0.017	22%	0.222	C	C	.	.	H	α-helix	trans	-64.9	-48.1	175.4	0	0	0	0	0	111.6	R406 L407 I408 L412 T413 K414 L419 I422	R406-A410 WeakPolarHBondContact O-CB 3.3Å; R406-A410 PolarHBondContact O-N 3.1Å; L407-A410 WeakPolarHBondContact O-CB 3.3Å; L407-A410 PolarHBondContact O-N 3.37Å; I408-A410 PolarHBondContact O-N 3.38Å; A410-L412 VanDerWaalsContact C-N 3.27Å; A410-L412 PolarHBondContact O-N 2.96Å; A410-T413 PolarHBondContact O-N 3.16Å; A410-T413 PolarHBondContact O-OG1 3.31Å; A410-T413 VanDerWaalsContact O-OG1 3.08Å; A410-K414 PolarHBondContact O-N 3.04Å; A410-L419 HydrophobicContact CB-CD2 3.56Å; A410-I422 HydrophobicContact CB-CB 4.2Å; A410-I422 HydrophobicContact CB-CD1 4.11Å; A410-I422 HydrophobicContact CB-CG2 3.74Å
411	L	97.2	Very high	95.5	Very high	2 Å²	2	50 Å²	50	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-62.3	-30	177.7	-72.9	171	0	0	0	114	L351 V355 V394 L407 I408 T413 H416 L419	L351-L411 HydrophobicContact CD1-CD1 4.41Å; L351-L411 HydrophobicContact CD2-CD1 3.9Å; L351-L411 HydrophobicContact CG-CD1 4.06Å; V355-L411 HydrophobicContact CB-CD2 4.33Å; V355-L411 HydrophobicContact CG1-CB 4.47Å; V355-L411 HydrophobicContact CG1-CD1 4.1Å; V355-L411 HydrophobicContact CG1-CD2 4Å; V355-L411 HydrophobicContact CG1-CG 4.42Å; V355-L411 HydrophobicContact CG2-CD2 4.12Å; V394-L411 HydrophobicContact CG2-CD1 4.32Å; V394-L411 HydrophobicContact CG2-CD2 4.14Å; L407-L411 HydrophobicContact CD1-CD1 4.12Å; L407-L411 HydrophobicContact CD1-CG 4.34Å; L407-L411 HydrophobicContact CG-CD1 4.09Å; L407-L411 WeakPolarHBondContact O-CG 3.36Å; L407-L411 PolarHBondContact O-N 2.96Å; I408-L411 PolarHBondContact O-N 2.86Å; I408-L411 VanDerWaalsContact O-N 3.16Å; L411-T413 VanDerWaalsContact C-N 3.32Å; L411-H416 HydrophobicContact CD2-CB 4.14Å; L411-L419 HydrophobicContact CD2-CD1 3.87Å; L411-L419 HydrophobicContact CD2-CD2 4.01Å; L411-L419 HydrophobicContact CD2-CG 4.34Å; L411-L419 HydrophobicContact CG-CD2 4.14Å
412	L	95.5	Very high	95.4	Very high	49 Å²	49	53.3 Å²	53.3	26%	0.257	27%	0.265	S	S	.	.	H	α-helix	trans	-76.1	-19.4	175.2	-68	178.5	0	0	0	112.8	L215 F360 I408 A410	L215-L412 HydrophobicContact CD2-CD2 4.48Å; F360-L412 HydrophobicContact CB-CD2 3.75Å; F360-L412 HydrophobicContact CD2-CD2 4.34Å; F360-L412 HydrophobicContact CG-CD2 4.4Å; I408-L412 HydrophobicContact CG2-CD1 3.97Å; I408-L412 HydrophobicContact CG2-CG 4.15Å; I408-L412 WeakPolarHBondContact O-CB 3.39Å; I408-L412 VanDerWaalsContact O-CG 3.25Å; I408-L412 WeakPolarHBondContact O-CG 3.18Å; I408-L412 PolarHBondContact O-N 3.28Å; A410-L412 VanDerWaalsContact C-N 3.27Å; A410-L412 PolarHBondContact O-N 2.96Å
413	T	93.9	Very high	95.3	Very high	84 Å²	84	53.1 Å²	53.1	52%	0.515	26%	0.264	S	S	.	.	H	α-helix	trans	-111.3	-26.9	-172.9	53.2	0	0	0	0	114.2	K409 A410 L411	K409-T413 WeakPolarHBondContact O-CG2 3.37Å; K409-T413 PolarHBondContact O-N 2.69Å; K409-T413 PolarHBondContact O-OG1 2.94Å; A410-T413 PolarHBondContact O-N 3.16Å; A410-T413 PolarHBondContact O-OG1 3.31Å; A410-T413 VanDerWaalsContact O-OG1 3.08Å; L411-T413 VanDerWaalsContact C-N 3.32Å
414	K	94.2	Very high	95.2	Very high	116 Å²	116	56 Å²	56	50%	0.504	28%	0.282	S	S	.	.	S	Bend	trans	-140	168.7	-176.4	-61	-65.7	-176.8	173	0	111.7	H361 A410 I422	H361-K414 PolarHBondContact ND1-O 3.13Å; A410-K414 PolarHBondContact O-N 3.04Å; K414-I422 HydrophobicContact CB-CD1 4.14Å; K414-I422 HydrophobicContact CG-CD1 3.74Å
415	S	94.1	Very high	95	Very high	26 Å²	26	56.4 Å²	56.4	18%	0.182	28%	0.284	C	S	.	.			trans	-62.7	152.9	170.1	179.8	0	0	0	0	111.3	H361 E417 S418	H361-S415 VanDerWaalsContact CE1-CA 3.44Å; H361-S415 WeakPolarHBondContact CE1-CA 2.99Å; S415-E417 PolarHBondContact O-N 3.23Å; S415-E417 VanDerWaalsContact O-N 3.12Å; S415-E417 PolarHBondContact OG-N 2.76Å; S415-S418 PolarHBondContact O-N 3.15Å
416	H	95.4	Very high	95	Very high	24 Å²	24	55.6 Å²	55.6	11%	0.111	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-60.7	-18.2	172.9	66.9	77.5	0	0	0	112.5	V355 N393 L411 S418 L419	V355-H416 HydrophobicContact CG2-CB 4.29Å; N393-H416 WeakPolarHBondContact CB-O 3.27Å; N393-H416 PolarHBondContact ND2-ND1 2.9Å; N393-H416 PolarHBondContact ND2-O 2.9Å; N393-H416 VanDerWaalsContact ND2-O 3.12Å; L411-H416 HydrophobicContact CD2-CB 4.14Å; H416-S418 VanDerWaalsContact C-N 3.3Å; H416-L419 HydrophobicContact CB-CD1 4.15Å; H416-L419 WeakPolarHBondContact O-CG 3.39Å
417	E	95.8	Very high	95	Very high	130 Å²	130	51 Å²	51	61%	0.607	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-72	-21.1	175.5	-62.9	175.8	150.4	0	0	113.4	S415	S415-E417 PolarHBondContact O-N 3.23Å; S415-E417 VanDerWaalsContact O-N 3.12Å; S415-E417 PolarHBondContact OG-N 2.76Å
418	S	95.3	Very high	94.9	Very high	32 Å²	32	51.8 Å²	51.8	22%	0.224	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-101.9	14.4	-179.3	-45.8	0	0	0	0	112.9	S415 H416 Q421	S415-S418 PolarHBondContact O-N 3.15Å; H416-S418 VanDerWaalsContact C-N 3.3Å; S418-Q421 PolarHBondContact O-N 3.43Å
419	L	95.9	Very high	94.8	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.01	27%	0.273	C	S	.	.	S	Bend	trans	-70.2	-33.2	-175.8	-72.4	175.4	0	0	0	113	N393 V394 A397 L407 A410 L411 H416 Q421 I422 C423	N393-L419 HydrophobicContact CB-CD1 4.46Å; V394-L419 HydrophobicContact CG2-CD1 3.96Å; A397-L419 HydrophobicContact CB-CB 3.76Å; A397-L419 HydrophobicContact CB-CD1 3.97Å; A397-L419 HydrophobicContact CB-CG 4.38Å; L407-L419 HydrophobicContact CD1-CD1 4.12Å; L407-L419 HydrophobicContact CD1-CD2 4.18Å; A410-L419 HydrophobicContact CB-CD2 3.56Å; L411-L419 HydrophobicContact CD2-CD1 3.87Å; L411-L419 HydrophobicContact CD2-CD2 4.01Å; L411-L419 HydrophobicContact CD2-CG 4.34Å; L411-L419 HydrophobicContact CG-CD2 4.14Å; H416-L419 HydrophobicContact CB-CD1 4.15Å; H416-L419 WeakPolarHBondContact O-CG 3.39Å; L419-Q421 PolarHBondContact O-N 2.75Å; L419-I422 PolarHBondContact O-N 3.05Å; L419-I422 VanDerWaalsContact O-N 3.12Å; L419-C423 WeakPolarHBondContact O-CA 3.12Å; L419-C423 WeakPolarHBondContact O-CB 3.44Å; L419-C423 PolarHBondContact O-N 3.4Å
420	D	91.3	Very high	94.8	Very high	101 Å²	101	45.3 Å²	45.3	54%	0.54	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-32	175.5	61.9	-28.8	0	0	0	112.9	I422 T424	D420-I422 VanDerWaalsContact C-N 3.3Å; D420-I422 PolarHBondContact O-N 2.9Å; D420-T424 VanDerWaalsContact O-CG2 3.25Å; D420-T424 WeakPolarHBondContact O-CG2 3.44Å
421	Q	89.8	Confident	94.7	Very high	147 Å²	147	45.3 Å²	45.3	69%	0.687	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-17.7	176.7	-63.1	166.9	22.1	0	0	113.3	S418 L419	S418-Q421 PolarHBondContact O-N 3.43Å; L419-Q421 PolarHBondContact O-N 2.75Å
422	I	91.6	Very high	94.4	Very high	72 Å²	72	47.7 Å²	47.7	37%	0.369	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-44.2	-172.2	-59	170.6	0	0	0	111.7	A410 K414 L419 D420 T424	A410-I422 HydrophobicContact CB-CB 4.2Å; A410-I422 HydrophobicContact CB-CD1 4.11Å; A410-I422 HydrophobicContact CB-CG2 3.74Å; K414-I422 HydrophobicContact CB-CD1 4.14Å; K414-I422 HydrophobicContact CG-CD1 3.74Å; L419-I422 PolarHBondContact O-N 3.05Å; L419-I422 VanDerWaalsContact O-N 3.12Å; D420-I422 VanDerWaalsContact C-N 3.3Å; D420-I422 PolarHBondContact O-N 2.9Å; I422-T424 PolarHBondContact O-N 2.75Å
423	C	94.7	Very high	94.3	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.014	24%	0.244	C	C	.	.	S	Bend	trans	-95	86.1	178.3	-61.2	0	0	0	0	107.7	A397 V400 C401 L419	A397-C423 HydrophobicContact CB-CB 3.84Å; V400-C423 WeakPolarHBondContact CG2-O 3.45Å; C401-C423 HydrophobicContact CB-CB 4.07Å; L419-C423 WeakPolarHBondContact O-CA 3.12Å; L419-C423 WeakPolarHBondContact O-CB 3.44Å; L419-C423 PolarHBondContact O-N 3.4Å
424	T	93.7	Very high	94.3	Very high	71 Å²	71	41.8 Å²	41.8	44%	0.436	22%	0.219	S	C	.	.			trans	-111.4	160.9	178.9	56.1	0	0	0	0	111	D420 I422 T426	D420-T424 VanDerWaalsContact O-CG2 3.25Å; D420-T424 WeakPolarHBondContact O-CG2 3.44Å; I422-T424 PolarHBondContact O-N 2.75Å; T424-T426 PolarHBondContact O-N 3.33Å; T424-T426 PolarHBondContact O-OG1 3.46Å
425	I	94.9	Very high	94.3	Very high	10 Å²	10	38.3 Å²	38.3	5%	0.051	21%	0.206	C	C	.	.			trans	-56.4	123.9	171.9	-57.2	-174	0	0	0	108.8	V400 L431 I539 F586 S591 I593	V400-I425 HydrophobicContact CB-CG1 4.2Å; I425-L431 HydrophobicContact CD1-CD2 4.01Å; I425-L431 HydrophobicContact CG1-CD2 4.03Å; I425-L431 HydrophobicContact CG2-CD1 4.19Å; I425-L431 HydrophobicContact CG2-CD2 4.41Å; I425-I539 HydrophobicContact CG2-CD1 3.41Å; I425-I539 VanDerWaalsContact CG2-CD1 3.41Å; I425-F586 HydrophobicContact CB-CD2 4.13Å; I425-F586 HydrophobicContact CG2-CB 3.95Å; I425-F586 HydrophobicContact CG2-CD2 3.9Å; I425-F586 HydrophobicContact CG2-CG 4.13Å; I425-S591 VanDerWaalsContact CD1-OG 3.27Å; I425-S591 WeakPolarHBondContact CD1-OG 3.31Å; I425-I593 HydrophobicContact CD1-CB 4.39Å; I425-I593 HydrophobicContact CD1-CD1 3.91Å; I425-I593 HydrophobicContact CD1-CG1 3.99Å; I425-I593 HydrophobicContact CD1-CG2 3.53Å
426	T	95	Very high	94.3	Very high	36 Å²	36	37.6 Å²	37.6	22%	0.221	20%	0.202	C	C	.	.			trans	-131	117.5	-174.3	-58.6	0	0	0	0	109.2	T424 G428 I429	T424-T426 PolarHBondContact O-N 3.33Å; T424-T426 PolarHBondContact O-OG1 3.46Å; T426-G428 PolarHBondContact O-N 3.48Å; T426-I429 HydrophobicContact CG2-CD1 4.24Å; T426-I429 HydrophobicContact CG2-CG1 4.43Å; T426-I429 WeakPolarHBondContact O-CB 3.19Å; T426-I429 PolarHBondContact O-N 3.44Å
427	P	96.1	Very high	94.2	Very high	21 Å²	21	37 Å²	37	14%	0.136	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	134.9	170.1	-28.4	35.6	0	0	0	111.9	L470 I539 F586	P427-L470 HydrophobicContact CB-CD1 4.15Å; P427-L470 HydrophobicContact CB-CG 4.29Å; P427-I539 HydrophobicContact CG-CG1 4.4Å; P427-F586 HydrophobicContact CG-CD1 3.69Å; P427-F586 HydrophobicContact CG-CE1 3.33Å; P427-F586 HydrophobicContact CG-CZ 4.03Å
428	G	96.3	Very high	94	Very high	17 Å²	17	33 Å²	33	18%	0.175	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	-10.1	-168.7	0	0	0	0	0	115.5	T426 H468 Y478	T426-G428 PolarHBondContact O-N 3.48Å; G428-H468 PolarHBondContact N-ND1 3.47Å; G428-Y478 WeakPolarHBondContact CA-OH 3.28Å; G428-Y478 PolarHBondContact O-OH 2.92Å
429	I	96.8	Very high	93.8	Very high	8 Å²	8	31.5 Å²	31.5	4%	0.041	18%	0.175	C	C	.	.	S	Bend	trans	-116.4	100.7	172.6	-56.2	-177.1	0	0	0	108.3	Y230 T426 H468	Y230-I429 HydrophobicContact CE1-CG2 3.85Å; T426-I429 HydrophobicContact CG2-CD1 4.24Å; T426-I429 HydrophobicContact CG2-CG1 4.43Å; T426-I429 WeakPolarHBondContact O-CB 3.19Å; T426-I429 PolarHBondContact O-N 3.44Å; I429-H468 PolarHBondContact O-CE1 3.02Å
430	P	96.9	Very high	93.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-67.1	141.8	-177.4	26.1	-36.7	0	0	0	113.3	Y230 P402 Q466 Y478 Q482	Y230-P430 HydrophobicContact CD1-CG 3.88Å; Y230-P430 HydrophobicContact CG-CG 4.12Å; P402-P430 WeakPolarHBondContact CG-O 3.3Å; P430-Q466 VanDerWaalsContact CA-OE1 3.25Å; P430-Y478 HydrophobicContact CB-CD1 4Å; P430-Y478 HydrophobicContact CB-CD2 3.75Å; P430-Y478 HydrophobicContact CB-CE2 4.4Å; P430-Y478 HydrophobicContact CB-CG 3.5Å; P430-Y478 HydrophobicContact CG-CD1 3.57Å; P430-Y478 HydrophobicContact CG-CD2 4.13Å; P430-Y478 HydrophobicContact CG-CE1 3.98Å; P430-Y478 HydrophobicContact CG-CE2 4.47Å; P430-Y478 HydrophobicContact CG-CG 3.65Å; P430-Q482 HydrophobicContact CB-CB 4.09Å; P430-Q482 HydrophobicContact CB-CG 4.18Å; P430-Q482 HydrophobicContact CG-CB 3.71Å; P430-Q482 HydrophobicContact CG-CG 4.24Å; P430-Q482 PolarHBondContact O-OE1 2.77Å
431	L	94.4	Very high	92.7	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-89.6	147.4	173.1	-51.2	96.9	0	0	0	110.1	I425 Q466 I539 L585 I657	I425-L431 HydrophobicContact CD1-CD2 4.01Å; I425-L431 HydrophobicContact CG1-CD2 4.03Å; I425-L431 HydrophobicContact CG2-CD1 4.19Å; I425-L431 HydrophobicContact CG2-CD2 4.41Å; L431-Q466 PolarHBondContact O-NE2 3.03Å; L431-Q466 VanDerWaalsContact O-NE2 3.1Å; L431-I539 HydrophobicContact CD1-CD1 3.95Å; L431-I539 HydrophobicContact CD1-CG2 4.17Å; L431-L585 HydrophobicContact CD1-CD1 4.18Å; L431-I657 HydrophobicContact CB-CG2 4.48Å; L431-I657 HydrophobicContact CD2-CD1 3.55Å; L431-I657 HydrophobicContact CD2-CG1 4.12Å
432	K	91.6	Very high	92.3	Very high	53 Å²	53	27 Å²	27	23%	0.23	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-64.7	131.2	166.4	-76.5	-168.3	-177.5	-178.7	0	110.1	E344 Q482 I657 A658	E344-K432 IonicContact OE2-NZ 3.95Å; E344-K432 PolarHBondContact OE2-NZ 2.87Å; K432-Q482 HydrophobicContact CG-CG 4.17Å; K432-I657 HydrophobicContact CB-CG2 4.33Å; K432-I657 WeakPolarHBondContact O-CG2 3.46Å; K432-A658 HydrophobicContact CB-CB 3.64Å; K432-A658 HydrophobicContact CD-CB 3.78Å; K432-A658 HydrophobicContact CG-CB 4.34Å; K432-A658 PolarHBondContact O-N 3.45Å
433	P	93.2	Very high	91.8	Very high	9 Å²	9	32.6 Å²	32.6	6%	0.058	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-67.3	151.7	-176.6	21.3	-28.7	0	0	0	113.3	R464 R480 Y655	P433-R464 VanDerWaalsContact CB-NH2 3.28Å; P433-R480 WeakPolarHBondContact CD-O 3.35Å; P433-R480 HydrophobicContact CG-CB 4.41Å; P433-R480 HydrophobicContact CG-CG 3.76Å; P433-R480 WeakPolarHBondContact CG-O 3.39Å; P433-Y655 VanDerWaalsContact CA-OH 3.27Å; P433-Y655 WeakPolarHBondContact CA-OH 3.41Å
434	M	94.2	Very high	91.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-64.8	137.3	163.7	-174.2	179.1	-177.6	0	0	110	R464 Y655 E656 S661 W664	M434-R464 PolarHBondContact O-NH1 2.94Å; M434-R464 PolarHBondContact O-NH2 3.19Å; M434-Y655 HydrophobicContact CB-CD1 4.26Å; M434-Y655 HydrophobicContact CB-CD2 4.11Å; M434-Y655 HydrophobicContact CB-CE1 3.91Å; M434-Y655 HydrophobicContact CB-CE2 3.79Å; M434-Y655 HydrophobicContact CB-CG 4.37Å; M434-Y655 PolarHBondContact N-OH 3.26Å; M434-Y655 VanDerWaalsContact N-OH 3.12Å; M434-Y655 HydrophobicContact SD-CD2 4.19Å; M434-Y655 HydrophobicContact SD-CG 4.45Å; M434-E656 HydrophobicContact CE-CB 4.16Å; M434-E656 HydrophobicContact CE-CG 4.29Å; M434-E656 HydrophobicContact CG-CB 4.26Å; M434-E656 HydrophobicContact SD-CB 4.36Å; M434-E656 PolarHBondContact SD-N 2.91Å; M434-E656 VanDerWaalsContact SD-N 3.42Å; M434-S661 VanDerWaalsContact CE-OG 3.25Å; M434-S661 WeakPolarHBondContact CE-OG 3.5Å; M434-W664 HydrophobicContact CB-CZ3 4.38Å; M434-W664 HydrophobicContact CE-CB 4.41Å; M434-W664 HydrophobicContact CE-CD2 4.16Å; M434-W664 HydrophobicContact CE-CG 3.82Å; M434-W664 HydrophobicContact CG-CD2 4.27Å; M434-W664 HydrophobicContact CG-CE3 4.28Å; M434-W664 HydrophobicContact SD-CD2 3.87Å; M434-W664 HydrophobicContact SD-CE3 4.39Å; M434-W664 HydrophobicContact SD-CG 4.19Å; M434-W664 HydrophobicContact SD-CZ2 4.04Å
435	L	93.6	Very high	90.9	Very high	42 Å²	42	33.4 Å²	33.4	22%	0.22	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	143	-176.8	-57.9	179.9	0	0	0	111	R480 K659 R660 S661	L435-R480 VanDerWaalsContact CD2-NH2 3.32Å; L435-K659 WeakPolarHBondContact CB-O 3.37Å; L435-K659 PolarHBondContact N-O 2.96Å; L435-R660 HydrophobicContact CB-CB 4.35Å; L435-R660 CarbonylContact O-C 3.39Å; L435-R660 WeakPolarHBondContact O-CA 3.46Å; L435-S661 PolarHBondContact O-N 2.89Å
436	A	93.9	Very high	90.2	Very high	12 Å²	12	35 Å²	35	10%	0.099	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	144	177.6	0	0	0	0	0	113.1	M645 W664 K666	A436-M645 HydrophobicContact CB-CE 3.54Å; A436-W664 CarbonylContact C-O 3.44Å; A436-W664 WeakPolarHBondContact CA-O 3.48Å; A436-W664 HydrophobicContact CB-CB 3.86Å; A436-W664 WeakPolarHBondContact CB-O 3.39Å; A436-K666 HydrophobicContact CB-CB 4.12Å; A436-K666 HydrophobicContact CB-CD 4.39Å; A436-K666 HydrophobicContact CB-CG 4.4Å
437	S	93.8	Very high	89.7	Confident	10 Å²	10	40.8 Å²	40.8	7%	0.07	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	141	170.1	-62	0	0	0	0	110.9	R660 S661 W664 L665 K666	S437-R660 WeakPolarHBondContact OG-CG 3.48Å; S437-S661 PolarHBondContact N-O 3.06Å; S437-S661 PolarHBondContact OG-O 3.42Å; S437-W664 PolarHBondContact N-O 3.32Å; S437-L665 CarbonylContact O-C 3.55Å; S437-L665 VanDerWaalsContact O-CA 3.22Å; S437-L665 WeakPolarHBondContact O-CA 3.33Å; S437-K666 PolarHBondContact O-N 3.11Å
438	P	91.9	Very high	89.1	Confident	47 Å²	47	46.2 Å²	46.2	31%	0.305	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	149.9	173.1	30.9	-33.9	0	0	0	111.1	Y671	P438-Y671 HydrophobicContact CB-CE2 3.88Å
439	T	89.3	Confident	88.6	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	147.5	168.3	179.2	0	0	0	0	108.7	E444 I445 I646 L665 K666 L667 Y671	T439-E444 PolarHBondContact OG1-OE2 2.96Å; T439-I445 HydrophobicContact CG2-CD1 3.98Å; T439-I445 HydrophobicContact CG2-CG1 3.76Å; T439-I646 HydrophobicContact CG2-CD1 4.44Å; T439-L665 HydrophobicContact CG2-CB 3.91Å; T439-L665 HydrophobicContact CG2-CD1 4.42Å; T439-K666 PolarHBondContact N-O 2.82Å; T439-K666 VanDerWaalsContact N-O 3.14Å; T439-L667 HydrophobicContact CG2-CB 3.9Å; T439-L667 HydrophobicContact CG2-CD1 4.29Å; T439-Y671 WeakPolarHBondContact O-CD2 3.41Å
440	H	84.5	Confident	87.5	Confident	111 Å²	111	51.9 Å²	51.9	51%	0.514	24%	0.242	S	C	.	.			trans	-102.5	-7.6	-171	-67.7	-76.2	0	0	0	114.5	E444 Y671	H440-E444 PolarHBondContact N-OE2 3.08Å; H440-Y671 AromaticContact CE1-CD1 3.99Å; H440-Y671 AromaticContact ND1-CD1 3.98Å; H440-Y671 AromaticContact ND1-CG 3.85Å
441	G	80.8	Confident	86.5	Confident	19 Å²	19	60 Å²	60	20%	0.196	28%	0.28	C	S	.	.			trans	-171.4	166.9	177.3	0	0	0	0	0	113.9	Y443 E444 I445	G441-Y443 VanDerWaalsContact C-N 3.34Å; G441-Y443 PolarHBondContact O-N 3.12Å; G441-E444 PolarHBondContact O-N 3.29Å; G441-I445 PolarHBondContact O-N 3.32Å
442	I	81.6	Confident	86.1	Confident	27 Å²	27	61.5 Å²	61.5	14%	0.138	29%	0.29	C	S	.	.	H	α-helix	trans	-63.1	-40.2	-177.6	-59.7	172.6	0	0	0	111.4	E444 I445 L446 T626 I629 A630 L667	I442-E444 VanDerWaalsContact C-N 3.3Å; I442-E444 PolarHBondContact O-N 3.05Å; I442-I445 WeakPolarHBondContact O-CB 3.26Å; I442-I445 PolarHBondContact O-N 3.36Å; I442-I445 VanDerWaalsContact O-N 3.09Å; I442-L446 PolarHBondContact O-N 2.94Å; I442-L446 VanDerWaalsContact O-N 3.11Å; I442-T626 HydrophobicContact CG2-CG2 4.03Å; I442-I629 HydrophobicContact CD1-CB 4.49Å; I442-I629 HydrophobicContact CD1-CG2 3.99Å; I442-I629 HydrophobicContact CG1-CG2 4.04Å; I442-I629 HydrophobicContact CG2-CB 4.25Å; I442-I629 HydrophobicContact CG2-CD1 4.37Å; I442-I629 HydrophobicContact CG2-CG2 3.99Å; I442-A630 HydrophobicContact CD1-CB 3.7Å; I442-L667 HydrophobicContact CG1-CD2 4.04Å
443	Y	80.2	Confident	86.2	Confident	189 Å²	189	63.4 Å²	63.4	74%	0.741	30%	0.303	S	S	*	.	H	α-helix	trans	-60.9	-35.7	176.5	-67.2	-73.4	0	0	0	113.5	G441 I445 L446 K447 T626	G441-Y443 VanDerWaalsContact C-N 3.34Å; G441-Y443 PolarHBondContact O-N 3.12Å; Y443-I445 VanDerWaalsContact C-N 3.31Å; Y443-L446 PolarHBondContact O-N 2.85Å; Y443-K447 WeakPolarHBondContact O-CB 3.5Å; Y443-K447 PolarHBondContact O-N 3.21Å; Y443-T626 HydrophobicContact CE1-CG2 4.43Å
444	E	83.9	Confident	86.3	Confident	90 Å²	90	63.5 Å²	63.5	42%	0.421	30%	0.303	S	S	.	.	H	α-helix	trans	-67.1	-35.6	176.5	-174.9	-178.2	179	0	0	111.1	T439 H440 G441 I442 R448	T439-E444 PolarHBondContact OG1-OE2 2.96Å; H440-E444 PolarHBondContact N-OE2 3.08Å; G441-E444 PolarHBondContact O-N 3.29Å; I442-E444 VanDerWaalsContact C-N 3.3Å; I442-E444 PolarHBondContact O-N 3.05Å; E444-R448 VanDerWaalsContact O-CB 3.23Å; E444-R448 WeakPolarHBondContact O-CB 3.14Å; E444-R448 PolarHBondContact O-N 2.95Å
445	I	85.6	Confident	86.4	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.9	-51.3	175.8	-62.2	165.3	0	0	0	110	T439 G441 I442 Y443 K447 R448 F449 F454 I646 L665 L667	T439-I445 HydrophobicContact CG2-CD1 3.98Å; T439-I445 HydrophobicContact CG2-CG1 3.76Å; G441-I445 PolarHBondContact O-N 3.32Å; I442-I445 WeakPolarHBondContact O-CB 3.26Å; I442-I445 PolarHBondContact O-N 3.36Å; I442-I445 VanDerWaalsContact O-N 3.09Å; Y443-I445 VanDerWaalsContact C-N 3.31Å; I445-K447 PolarHBondContact O-N 2.94Å; I445-R448 PolarHBondContact O-N 2.88Å; I445-R448 VanDerWaalsContact O-N 3.14Å; I445-F449 HydrophobicContact CG2-CD2 4.14Å; I445-F449 PolarHBondContact O-N 2.93Å; I445-F454 HydrophobicContact CG2-CE2 4.36Å; I445-F454 HydrophobicContact CG2-CZ 4.35Å; I445-I646 HydrophobicContact CD1-CD1 3.5Å; I445-I646 VanDerWaalsContact CD1-CD1 3.5Å; I445-I646 HydrophobicContact CD1-CG1 3.84Å; I445-I646 HydrophobicContact CG1-CD1 4.28Å; I445-I646 HydrophobicContact CG2-CB 4.34Å; I445-I646 HydrophobicContact CG2-CG1 4.33Å; I445-I646 HydrophobicContact CG2-CG2 3.76Å; I445-L665 HydrophobicContact CG1-CD1 4.19Å; I445-L667 HydrophobicContact CD1-CB 4.31Å; I445-L667 HydrophobicContact CD1-CD2 4.01Å
446	L	81.5	Confident	86.6	Confident	43 Å²	43	61.5 Å²	61.5	23%	0.225	29%	0.292	C	S	.	.	H	α-helix	trans	-60.6	-46	179.5	-65.8	-172.2	0	0	0	111.6	I442 Y443 R448 F449 E450 F454 S624 T626 I629	I442-L446 PolarHBondContact O-N 2.94Å; I442-L446 VanDerWaalsContact O-N 3.11Å; Y443-L446 PolarHBondContact O-N 2.85Å; L446-R448 VanDerWaalsContact C-N 3.26Å; L446-R448 PolarHBondContact O-N 3.33Å; L446-F449 CarbonylContact O-C 3.51Å; L446-F449 PolarHBondContact O-N 2.91Å; L446-E450 WeakPolarHBondContact O-CG 3.16Å; L446-E450 PolarHBondContact O-N 3.26Å; L446-F454 HydrophobicContact CD2-CE1 3.99Å; L446-F454 HydrophobicContact CD2-CZ 3.69Å; L446-S624 WeakPolarHBondContact CD2-O 3.22Å; L446-T626 HydrophobicContact CD1-CG2 3.27Å; L446-T626 HydrophobicContact CG-CG2 4.39Å; L446-I629 HydrophobicContact CD2-CD1 4.46Å
447	K	83.6	Confident	86.8	Confident	158 Å²	158	61.2 Å²	61.2	69%	0.687	29%	0.289	S	S	*	.	H	α-helix	trans	-59.8	-35.9	176	-175.6	177.9	179	179.4	0	112.8	Y443 I445	Y443-K447 WeakPolarHBondContact O-CB 3.5Å; Y443-K447 PolarHBondContact O-N 3.21Å; I445-K447 PolarHBondContact O-N 2.94Å
448	R	84.1	Confident	87	Confident	134 Å²	134	62.4 Å²	62.4	51%	0.506	29%	0.292	S	S	.	.	H	α-helix	trans	-75.8	-37	-178.6	-169.9	72.7	179.1	115.2	-7.8	111.9	E444 I445 L446 H662 L665	E444-R448 VanDerWaalsContact O-CB 3.23Å; E444-R448 WeakPolarHBondContact O-CB 3.14Å; E444-R448 PolarHBondContact O-N 2.95Å; I445-R448 PolarHBondContact O-N 2.88Å; I445-R448 VanDerWaalsContact O-N 3.14Å; L446-R448 VanDerWaalsContact C-N 3.26Å; L446-R448 PolarHBondContact O-N 3.33Å; R448-H662 VanDerWaalsContact NH2-CB 3.31Å; R448-H662 PolarHBondContact NH2-ND1 2.85Å; R448-L665 HydrophobicContact CB-CD1 4.33Å; R448-L665 HydrophobicContact CG-CD1 4.25Å
449	F	85.8	Confident	87.2	Confident	10 Å²	10	61.8 Å²	61.8	4%	0.044	28%	0.284	C	S	.	.	S	Bend	trans	-106.1	20.5	-174.3	-65.2	-12.2	0	0	0	112.8	I445 L446 E451 C452 F454 I646 T648 H662 L665	I445-F449 HydrophobicContact CG2-CD2 4.14Å; I445-F449 PolarHBondContact O-N 2.93Å; L446-F449 CarbonylContact O-C 3.51Å; L446-F449 PolarHBondContact O-N 2.91Å; F449-E451 PolarHBondContact O-N 3.1Å; F449-C452 HydrophobicContact CB-CB 4.48Å; F449-C452 WeakPolarHBondContact O-CB 3.23Å; F449-C452 PolarHBondContact O-N 2.9Å; F449-F454 HydrophobicContact CB-CD1 3.78Å; F449-F454 HydrophobicContact CB-CE1 4.21Å; F449-F454 HydrophobicContact CD2-CB 3.76Å; F449-F454 AromaticContact CD2-CD1 3.84Å; F449-F454 HydrophobicContact CD2-CD1 3.84Å; F449-F454 HydrophobicContact CD2-CD2 4.44Å; F449-F454 AromaticContact CD2-CG 3.77Å; F449-F454 HydrophobicContact CD2-CG 3.77Å; F449-F454 HydrophobicContact CE2-CB 4.24Å; F449-F454 HydrophobicContact CG-CD1 4.31Å; F449-I646 HydrophobicContact CD2-CG2 3.96Å; F449-I646 HydrophobicContact CE2-CB 4.22Å; F449-I646 HydrophobicContact CE2-CG2 3.6Å; F449-T648 HydrophobicContact CD1-CG2 3.86Å; F449-T648 HydrophobicContact CD2-CG2 4.18Å; F449-T648 HydrophobicContact CE1-CG2 3.71Å; F449-T648 HydrophobicContact CE2-CG2 4Å; F449-T648 HydrophobicContact CG-CG2 4.11Å; F449-T648 HydrophobicContact CZ-CG2 3.76Å; F449-H662 VanDerWaalsContact CE1-O 3.31Å; F449-H662 WeakPolarHBondContact CE1-O 3.4Å; F449-L665 HydrophobicContact CE1-CD1 4.08Å; F449-L665 HydrophobicContact CE1-CG 4.24Å; F449-L665 HydrophobicContact CE2-CD1 4.08Å; F449-L665 HydrophobicContact CE2-CG 4.27Å; F449-L665 HydrophobicContact CZ-CD1 3.75Å; F449-L665 HydrophobicContact CZ-CG 3.67Å
450	E	73.5	Confident	87.5	Confident	134 Å²	134	62.3 Å²	62.3	63%	0.626	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.8	130.5	174.5	-67.7	-178.7	-179.8	0	0	109.6	L446 C452	L446-E450 WeakPolarHBondContact O-CG 3.16Å; L446-E450 PolarHBondContact O-N 3.26Å; E450-C452 VanDerWaalsContact C-N 3.25Å; E450-C452 PolarHBondContact O-N 3.1Å
451	E	76.7	Confident	87.9	Confident	171 Å²	171	57.7 Å²	57.7	80%	0.799	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	12.3	-177.3	-45.6	-173.8	162.7	0	0	117.1	F449 R651	F449-E451 PolarHBondContact O-N 3.1Å; E451-R651 PolarHBondContact O-NH1 3.47Å; E451-R651 IonicContact OE2-NH1 3.45Å
452	C	85.5	Confident	88.6	Confident	32 Å²	32	57.4 Å²	57.4	22%	0.216	26%	0.263	C	S	.	.			trans	-113.6	131.7	174.5	-61.5	0	0	0	0	111.1	F449 E450 F454	F449-C452 HydrophobicContact CB-CB 4.48Å; F449-C452 WeakPolarHBondContact O-CB 3.23Å; F449-C452 PolarHBondContact O-N 2.9Å; E450-C452 VanDerWaalsContact C-N 3.25Å; E450-C452 PolarHBondContact O-N 3.1Å; C452-F454 WeakPolarHBondContact O-CD1 3.26Å; C452-F454 PolarHBondContact O-N 2.87Å
453	D	92.8	Very high	89.3	Confident	93 Å²	93	58 Å²	58	50%	0.497	27%	0.265	S	S	.	.			trans	-63.8	132.3	164.7	-70.9	-8.7	0	0	0	109.3	R598 L649	D453-R598 IonicContact OD2-CZ 3.31Å; D453-R598 IonicContact OD2-NH1 3.64Å; D453-R598 IonicContact OD2-NH2 2.78Å; D453-R598 PolarHBondContact OD2-NH2 2.65Å; D453-L649 HydrophobicContact CB-CB 4.22Å; D453-L649 HydrophobicContact CB-CD1 4.28Å; D453-L649 PolarHBondContact O-N 3.12Å
454	F	95.2	Very high	90.1	Very high	12 Å²	12	50.9 Å²	50.9	5%	0.053	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	162.8	176.9	65.9	-98.5	0	0	0	111.5	I445 L446 F449 C452 S623 I629 I646 K647	I445-F454 HydrophobicContact CG2-CE2 4.36Å; I445-F454 HydrophobicContact CG2-CZ 4.35Å; L446-F454 HydrophobicContact CD2-CE1 3.99Å; L446-F454 HydrophobicContact CD2-CZ 3.69Å; F449-F454 HydrophobicContact CB-CD1 3.78Å; F449-F454 HydrophobicContact CB-CE1 4.21Å; F449-F454 HydrophobicContact CD2-CB 3.76Å; F449-F454 AromaticContact CD2-CD1 3.84Å; F449-F454 HydrophobicContact CD2-CD1 3.84Å; F449-F454 HydrophobicContact CD2-CD2 4.44Å; F449-F454 AromaticContact CD2-CG 3.77Å; F449-F454 HydrophobicContact CD2-CG 3.77Å; F449-F454 HydrophobicContact CE2-CB 4.24Å; F449-F454 HydrophobicContact CG-CD1 4.31Å; C452-F454 WeakPolarHBondContact O-CD1 3.26Å; C452-F454 PolarHBondContact O-N 2.87Å; F454-S623 WeakPolarHBondContact CE2-O 3.4Å; F454-S623 WeakPolarHBondContact CZ-O 3.31Å; F454-I629 HydrophobicContact CE2-CD1 3.97Å; F454-I629 HydrophobicContact CZ-CD1 4Å; F454-I646 HydrophobicContact CB-CG2 4.33Å; F454-I646 HydrophobicContact CD2-CG2 3.43Å; F454-I646 VanDerWaalsContact CD2-CG2 3.43Å; F454-I646 HydrophobicContact CE2-CG2 3.97Å; F454-I646 HydrophobicContact CG-CG2 4.08Å; F454-K647 CarbonylContact C-O 3.52Å; F454-K647 VanDerWaalsContact CA-O 3.23Å; F454-K647 WeakPolarHBondContact CA-O 3.32Å; F454-K647 WeakPolarHBondContact CB-O 3.38Å
455	T	97	Very high	90.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	140.1	173.9	-171.2	0	0	0	0	110.6	E457 L597 R601 D622 I646 K647 L649	T455-E457 HydrophobicContact CG2-CG 4.38Å; T455-L597 HydrophobicContact CG2-CD2 4.26Å; T455-R601 VanDerWaalsContact CB-NH1 3.3Å; T455-R601 PolarHBondContact OG1-NH1 2.98Å; T455-D622 WeakPolarHBondContact CB-OD1 3.24Å; T455-D622 PolarHBondContact OG1-OD1 3.19Å; T455-I646 CarbonylContact O-C 3.54Å; T455-I646 WeakPolarHBondContact O-CA 3.48Å; T455-K647 HydrophobicContact CG2-CB 4.01Å; T455-K647 PolarHBondContact N-O 3.14Å; T455-K647 PolarHBondContact O-N 3.07Å; T455-L649 HydrophobicContact CG2-CD2 3.86Å; T455-L649 HydrophobicContact CG2-CG 4.47Å
456	C	97.2	Very high	91.3	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	119.7	167.2	-69.5	0	0	0	0	108.3	S620 L621 F632 L644 M645	C456-S620 CarbonylContact O-C 3.44Å; C456-S620 WeakPolarHBondContact O-CA 3.31Å; C456-L621 HydrophobicContact CB-CB 4.44Å; C456-L621 PolarHBondContact N-O 3.14Å; C456-L621 PolarHBondContact O-N 2.93Å; C456-F632 HydrophobicContact CB-CD1 4.01Å; C456-F632 HydrophobicContact CB-CE1 4.01Å; C456-F632 VanDerWaalsContact O-CE1 3.27Å; C456-F632 WeakPolarHBondContact O-CE1 3.33Å; C456-L644 HydrophobicContact CB-CD1 4.33Å; C456-M645 CarbonylContact C-O 3.53Å; C456-M645 WeakPolarHBondContact CA-O 3.25Å
457	E	98.2	Very high	92.1	Very high	6 Å²	6	44.9 Å²	44.9	3%	0.028	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	150.8	173.6	-70.5	174.4	-172.2	0	0	110.4	T455 K459 A618 T619 L644 M645 K647	T455-E457 HydrophobicContact CG2-CG 4.38Å; E457-K459 PolarHBondContact O-N 3.36Å; E457-A618 HydrophobicContact CB-CB 4.47Å; E457-A618 HydrophobicContact CG-CB 4.34Å; E457-T619 CarbonylContact C-O 3.53Å; E457-T619 VanDerWaalsContact CA-O 3.28Å; E457-T619 WeakPolarHBondContact CA-O 3.18Å; E457-L644 CarbonylContact O-C 3.59Å; E457-L644 WeakPolarHBondContact O-CA 3.4Å; E457-M645 HydrophobicContact CB-CB 4.33Å; E457-M645 PolarHBondContact N-O 2.81Å; E457-M645 PolarHBondContact O-N 3.28Å; E457-K647 IonicContact OE1-NZ 3Å; E457-K647 PolarHBondContact OE1-NZ 2.71Å; E457-K647 VanDerWaalsContact OE2-CE 3.28Å; E457-K647 WeakPolarHBondContact OE2-CE 3.21Å; E457-K647 IonicContact OE2-NZ 3.27Å; E457-K647 PolarHBondContact OE2-NZ 3.28Å
458	Y	97.8	Very high	92.8	Very high	34 Å²	34	37.4 Å²	37.4	13%	0.133	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	132	171.7	-76.5	6.6	0	0	0	111	Y460 T619 F632 E635 A636 L644	Y458-Y460 HydrophobicContact CD2-CE1 4.3Å; Y458-Y460 WeakPolarHBondContact O-CD2 3.43Å; Y458-Y460 VanDerWaalsContact O-CE2 3.28Å; Y458-Y460 WeakPolarHBondContact O-CE2 3.28Å; Y458-Y460 PolarHBondContact O-N 3.08Å; Y458-T619 HydrophobicContact CD1-CG2 4.33Å; Y458-T619 HydrophobicContact CD2-CG2 4.19Å; Y458-T619 HydrophobicContact CE1-CG2 4.08Å; Y458-T619 HydrophobicContact CE2-CG2 3.9Å; Y458-T619 HydrophobicContact CG-CG2 4.39Å; Y458-T619 PolarHBondContact N-O 2.85Å; Y458-F632 HydrophobicContact CD1-CD1 4.37Å; Y458-F632 AromaticContact CD1-CE1 3.63Å; Y458-F632 HydrophobicContact CD1-CE1 3.63Å; Y458-F632 HydrophobicContact CD1-CE2 4.02Å; Y458-F632 AromaticContact CD1-CZ 3.43Å; Y458-F632 HydrophobicContact CD1-CZ 3.43Å; Y458-F632 VanDerWaalsContact CD1-CZ 3.43Å; Y458-F632 HydrophobicContact CE1-CD1 4.11Å; Y458-F632 AromaticContact CE1-CD2 3.79Å; Y458-F632 HydrophobicContact CE1-CD2 3.79Å; Y458-F632 AromaticContact CE1-CE1 3.65Å; Y458-F632 HydrophobicContact CE1-CE1 3.65Å; Y458-F632 AromaticContact CE1-CE2 3.31Å; Y458-F632 HydrophobicContact CE1-CE2 3.31Å; Y458-F632 HydrophobicContact CE1-CG 4.17Å; Y458-F632 AromaticContact CE1-CZ 3.23Å; Y458-F632 HydrophobicContact CE1-CZ 3.23Å; Y458-E635 WeakPolarHBondContact OH-CB 3.28Å; Y458-A636 HydrophobicContact CD1-CB 3.52Å; Y458-A636 HydrophobicContact CD2-CB 4.33Å; Y458-A636 HydrophobicContact CE1-CB 3.51Å; Y458-A636 HydrophobicContact CE2-CB 4.34Å; Y458-A636 HydrophobicContact CG-CB 3.95Å; Y458-L644 HydrophobicContact CD1-CD2 3.95Å; Y458-L644 HydrophobicContact CE1-CD2 4.48Å
459	K	96.7	Very high	93.4	Very high	34 Å²	34	31.2 Å²	31.2	15%	0.148	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	89.9	170.1	-169.9	-175.1	-177.2	-53.7	0	109.4	E457 C641 E642 G643 M645 K666 K668	E457-K459 PolarHBondContact O-N 3.36Å; K459-C641 WeakPolarHBondContact O-CB 3.45Å; K459-E642 HydrophobicContact CD-CB 4.15Å; K459-E642 HydrophobicContact CG-CB 4.32Å; K459-E642 IonicContact NZ-OE2 3.71Å; K459-E642 PolarHBondContact NZ-OE2 2.89Å; K459-E642 PolarHBondContact O-N 3.14Å; K459-G643 VanDerWaalsContact CB-C 3.46Å; K459-G643 VanDerWaalsContact CB-O 3.29Å; K459-G643 WeakPolarHBondContact CB-O 3.47Å; K459-G643 PolarHBondContact N-O 3.42Å; K459-M645 HydrophobicContact CB-CG 3.86Å; K459-M645 HydrophobicContact CB-SD 4.22Å; K459-M645 HydrophobicContact CD-SD 3.88Å; K459-M645 HydrophobicContact CG-CG 3.91Å; K459-M645 HydrophobicContact CG-SD 3.71Å; K459-K666 HydrophobicContact CD-CB 4.38Å; K459-K668 HydrophobicContact CD-CG 4.18Å
460	Y	96.5	Very high	93.8	Very high	12 Å²	12	32.4 Å²	32.4	5%	0.047	16%	0.159	C	C	.	.			trans	-59.9	145.8	177.4	-56.6	-71.8	0	0	0	113.2	Y458 G462 E543 V545 I554 Y580 A618 T619	Y458-Y460 HydrophobicContact CD2-CE1 4.3Å; Y458-Y460 WeakPolarHBondContact O-CD2 3.43Å; Y458-Y460 VanDerWaalsContact O-CE2 3.28Å; Y458-Y460 WeakPolarHBondContact O-CE2 3.28Å; Y458-Y460 PolarHBondContact O-N 3.08Å; Y460-G462 PolarHBondContact O-N 2.87Å; Y460-E543 HydrophobicContact CD2-CB 4.29Å; Y460-V545 HydrophobicContact CD1-CG1 4.5Å; Y460-V545 HydrophobicContact CG-CG1 4.45Å; Y460-I554 HydrophobicContact CD1-CD1 3.7Å; Y460-I554 HydrophobicContact CE1-CD1 4.03Å; Y460-Y580 AromaticContact CD1-CD2 3.8Å; Y460-Y580 HydrophobicContact CD1-CD2 3.8Å; Y460-Y580 AromaticContact CD1-CE2 3.92Å; Y460-Y580 HydrophobicContact CD1-CE2 3.92Å; Y460-Y580 HydrophobicContact CD1-CG 4.09Å; Y460-Y580 HydrophobicContact CD2-CD2 4.49Å; Y460-Y580 HydrophobicContact CD2-CG 4.18Å; Y460-Y580 AromaticContact CE1-CD1 3.67Å; Y460-Y580 HydrophobicContact CE1-CD1 3.67Å; Y460-Y580 AromaticContact CE1-CD2 3.72Å; Y460-Y580 HydrophobicContact CE1-CD2 3.72Å; Y460-Y580 AromaticContact CE1-CE1 3.65Å; Y460-Y580 HydrophobicContact CE1-CE1 3.65Å; Y460-Y580 AromaticContact CE1-CE2 3.7Å; Y460-Y580 HydrophobicContact CE1-CE2 3.7Å; Y460-Y580 AromaticContact CE1-CG 3.67Å; Y460-Y580 HydrophobicContact CE1-CG 3.67Å; Y460-Y580 AromaticContact CE1-CZ 3.63Å; Y460-Y580 HydrophobicContact CE2-CD1 4.01Å; Y460-Y580 HydrophobicContact CE2-CD2 4.45Å; Y460-Y580 AromaticContact CE2-CG 3.8Å; Y460-Y580 HydrophobicContact CE2-CG 3.8Å; Y460-Y580 HydrophobicContact CG-CD2 4.2Å; Y460-Y580 HydrophobicContact CG-CG 4.33Å; Y460-Y580 AromaticContact CZ-CD1 3.38Å; Y460-Y580 AromaticContact CZ-CE1 3.74Å; Y460-Y580 AromaticContact CZ-CG 3.52Å; Y460-Y580 WeakPolarHBondContact OH-CD1 3.34Å; Y460-A618 HydrophobicContact CE2-CB 3.92Å; Y460-A618 WeakPolarHBondContact OH-CA 3.16Å; Y460-T619 PolarHBondContact OH-N 2.98Å; Y460-T619 PolarHBondContact OH-OG1 2.94Å
461	D	92.2	Very high	94.7	Very high	13 Å²	13	30.8 Å²	30.8	7%	0.07	16%	0.16	C	C	.	.	S	Bend	trans	-95.4	72.9	171.7	-166.9	8.3	0	0	0	109.6	E642 R793	D461-E642 HydrophobicContact CB-CG 3.58Å; D461-R793 IonicContact OD2-CZ 3.4Å; D461-R793 IonicContact OD2-NH1 2.78Å; D461-R793 PolarHBondContact OD2-NH1 3.08Å; D461-R793 IonicContact OD2-NH2 3.51Å
462	G	94.9	Very high	95.4	Very high	13 Å²	13	27.3 Å²	27.3	13%	0.134	16%	0.155	C	C	.	.	S	Bend	trans	-131.7	-159.1	-172.1	0	0	0	0	0	114.3	Y460 E543 V544 F557	Y460-G462 PolarHBondContact O-N 2.87Å; G462-E543 VanDerWaalsContact CA-OE1 3.25Å; G462-E543 WeakPolarHBondContact CA-OE1 3.25Å; G462-E543 PolarHBondContact N-OE1 3.38Å; G462-E543 VanDerWaalsContact O-OE1 3.05Å; G462-V544 CarbonylContact C-O 3.5Å; G462-V544 WeakPolarHBondContact CA-O 3.32Å; G462-F557 VanDerWaalsContact O-CE2 3.31Å; G462-F557 WeakPolarHBondContact O-CE2 3.33Å
463	E	95.9	Very high	95.5	Very high	39 Å²	39	28 Å²	28	18%	0.182	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	122.5	164.9	-66.2	-172.3	170.3	0	0	110.6	A465 K488 Y489 E543 V544 F557 L560	E463-A465 PolarHBondContact O-N 2.66Å; E463-K488 IonicContact OE1-NZ 2.79Å; E463-K488 PolarHBondContact OE1-NZ 3.13Å; E463-K488 WeakPolarHBondContact OE2-CE 3.39Å; E463-K488 IonicContact OE2-NZ 2.79Å; E463-K488 PolarHBondContact OE2-NZ 3.43Å; E463-Y489 PolarHBondContact OE2-OH 2.65Å; E463-E543 PolarHBondContact N-OE1 2.97Å; E463-V544 PolarHBondContact N-O 2.96Å; E463-V544 PolarHBondContact O-N 2.92Å; E463-F557 HydrophobicContact CG-CE2 3.7Å; E463-F557 HydrophobicContact CG-CZ 4.28Å; E463-L560 HydrophobicContact CB-CD2 4.24Å; E463-L560 HydrophobicContact CG-CD2 3.84Å
464	R	96.7	Very high	95.5	Very high	40 Å²	40	25.5 Å²	25.5	15%	0.151	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	130.1	171.5	-166.5	163.8	-172.5	166.2	-2.9	111.8	P433 M434 R480 D541 S542 E543 Y655	P433-R464 VanDerWaalsContact CB-NH2 3.28Å; M434-R464 PolarHBondContact O-NH1 2.94Å; M434-R464 PolarHBondContact O-NH2 3.19Å; R464-R480 HydrophobicContact CB-CB 4.37Å; R464-D541 IonicContact CZ-OD1 2.81Å; R464-D541 IonicContact CZ-OD2 2.69Å; R464-D541 IonicContact NE-OD1 3.24Å; R464-D541 PolarHBondContact NE-OD1 3.06Å; R464-D541 IonicContact NE-OD2 2.62Å; R464-D541 PolarHBondContact NE-OD2 3.04Å; R464-D541 IonicContact NH2-OD1 3.48Å; R464-D541 IonicContact NH2-OD2 3.92Å; R464-D541 PolarHBondContact NH2-OD2 2.85Å; R464-S542 WeakPolarHBondContact CA-O 3.39Å; R464-E543 VanDerWaalsContact CA-OE2 3.32Å; R464-E543 WeakPolarHBondContact CA-OE2 3.13Å; R464-E543 PolarHBondContact N-OE1 3.24Å; R464-E543 PolarHBondContact N-OE2 3.45Å; R464-Y655 PolarHBondContact NH2-OH 3.14Å
465	A	97.6	Very high	95.6	Very high	2 Å²	2	25.5 Å²	25.5	2%	0.017	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	115.3	-179	0	0	0	0	0	110.1	E463 I467 V477 Y478 S542 V544	E463-A465 PolarHBondContact O-N 2.66Å; A465-I467 HydrophobicContact CB-CG1 4.5Å; A465-V477 HydrophobicContact CB-CG1 3.82Å; A465-Y478 WeakPolarHBondContact CA-O 3.27Å; A465-S542 PolarHBondContact N-O 3.45Å; A465-S542 PolarHBondContact O-N 3.03Å; A465-S542 PolarHBondContact O-OG 3.12Å; A465-V544 HydrophobicContact CB-CG2 3.56Å
466	Q	98	Very high	95.6	Very high	6 Å²	6	27.8 Å²	27.8	3%	0.028	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	112.8	168.5	-168.9	176.1	96.4	0	0	108	P430 L431 H468 Y478 I539 I540	P430-Q466 VanDerWaalsContact CA-OE1 3.25Å; L431-Q466 PolarHBondContact O-NE2 3.03Å; L431-Q466 VanDerWaalsContact O-NE2 3.1Å; Q466-H468 PolarHBondContact OE1-NE2 2.99Å; Q466-Y478 PolarHBondContact N-O 3.28Å; Q466-Y478 PolarHBondContact O-N 3.29Å; Q466-I539 HydrophobicContact CG-CG2 3.74Å; Q466-I540 CarbonylContact C-O 3.5Å; Q466-I540 WeakPolarHBondContact CA-O 3.21Å
467	I	98.1	Very high	95.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	124.7	-173.8	-56	169.1	0	0	0	108.6	A465 I469 H476 V477 M497 I539 I540 I579	A465-I467 HydrophobicContact CB-CG1 4.5Å; I467-I469 HydrophobicContact CG2-CD1 4.14Å; I467-H476 CarbonylContact C-O 3.47Å; I467-H476 VanDerWaalsContact CA-O 3.32Å; I467-H476 WeakPolarHBondContact CA-O 3.5Å; I467-V477 HydrophobicContact CG1-CG2 4.42Å; I467-M497 HydrophobicContact CG2-SD 4.43Å; I467-I539 WeakPolarHBondContact O-CA 3.29Å; I467-I540 HydrophobicContact CB-CD1 4.07Å; I467-I540 HydrophobicContact CB-CG1 3.67Å; I467-I540 HydrophobicContact CD1-CD1 4.2Å; I467-I540 HydrophobicContact CD1-CG1 4.47Å; I467-I540 HydrophobicContact CG1-CG1 4.46Å; I467-I540 HydrophobicContact CG2-CD1 4.43Å; I467-I540 HydrophobicContact CG2-CG1 4.4Å; I467-I540 PolarHBondContact N-O 3.34Å; I467-I540 PolarHBondContact O-N 2.56Å; I467-I579 HydrophobicContact CD1-CD1 3.75Å; I467-I579 HydrophobicContact CD1-CG2 4.05Å
468	H	98	Very high	95.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	131.3	179.6	-68.4	-132.8	0	0	0	109.3	G428 I429 Q466 L470 S475 H476 Y478 C538	G428-H468 PolarHBondContact N-ND1 3.47Å; I429-H468 PolarHBondContact O-CE1 3.02Å; Q466-H468 PolarHBondContact OE1-NE2 2.99Å; H468-L470 HydrophobicContact CB-CD1 4.15Å; H468-S475 CarbonylContact O-C 3.58Å; H468-S475 VanDerWaalsContact O-CA 3.25Å; H468-S475 WeakPolarHBondContact O-CA 3.09Å; H468-H476 HydrophobicContact CB-CB 4.48Å; H468-H476 PolarHBondContact N-O 3.15Å; H468-H476 PolarHBondContact O-N 3.16Å; H468-Y478 HydrophobicContact CB-CE2 4.02Å; H468-Y478 AromaticContact CD2-CD2 3.34Å; H468-Y478 WeakPolarHBondContact CD2-CD2 3.05Å; H468-Y478 AromaticContact CD2-CE2 3.51Å; H468-Y478 AromaticContact CG-CD2 3.94Å; H468-Y478 AromaticContact CG-CE2 3.6Å; H468-Y478 AromaticContact NE2-CD2 3.56Å; H468-Y478 AromaticContact NE2-CE2 3.86Å; H468-C538 WeakPolarHBondContact CA-O 3.44Å
469	I	96.7	Very high	95.5	Very high	4 Å²	4	27 Å²	27	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.5	170.3	-50	-57	0	0	0	107.1	I467 M497 L501 S537 C538	I467-I469 HydrophobicContact CG2-CD1 4.14Å; I469-M497 HydrophobicContact CD1-CE 3.65Å; I469-M497 HydrophobicContact CG1-CE 4.38Å; I469-L501 HydrophobicContact CD1-CD1 4.25Å; I469-L501 HydrophobicContact CD1-CD2 4.14Å; I469-L501 HydrophobicContact CG1-CD2 4.02Å; I469-L501 HydrophobicContact CG2-CD1 4.17Å; I469-L501 HydrophobicContact CG2-CD2 4.14Å; I469-S537 CarbonylContact O-C 3.58Å; I469-S537 WeakPolarHBondContact O-CA 3.17Å; I469-S537 WeakPolarHBondContact O-CB 3.36Å; I469-C538 WeakPolarHBondContact CG1-SG 3.46Å; I469-C538 PolarHBondContact N-O 3.03Å; I469-C538 PolarHBondContact O-N 3.4Å
470	L	95.7	Very high	95.4	Very high	35 Å²	35	31.7 Å²	31.7	18%	0.183	19%	0.187	C	C	.	.			trans	-88.2	157.6	180	-82	62.4	0	0	0	110.2	P427 H468 S472 G473 A474 E536	P427-L470 HydrophobicContact CB-CD1 4.15Å; P427-L470 HydrophobicContact CB-CG 4.29Å; H468-L470 HydrophobicContact CB-CD1 4.15Å; L470-S472 PolarHBondContact O-N 2.72Å; L470-G473 PolarHBondContact O-N 3.07Å; L470-A474 PolarHBondContact N-O 3.26Å; L470-E536 CarbonylContact C-O 3.55Å
471	P	91.6	Very high	95.1	Very high	101 Å²	101	35.9 Å²	35.9	66%	0.656	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-23.2	174	-27.4	35.7	0	0	0	114.8	G473 E536	P471-G473 PolarHBondContact O-N 3.43Å; P471-E536 WeakPolarHBondContact CA-O 3.45Å
472	S	90.9	Very high	95.3	Very high	98 Å²	98	35.6 Å²	35.6	69%	0.685	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-10.3	174.3	53.8	0	0	0	0	114	L470 A474	L470-S472 PolarHBondContact O-N 2.72Å; S472-A474 VanDerWaalsContact C-N 3.3Å
473	G	88	Confident	95.2	Very high	46 Å²	46	39.7 Å²	39.7	47%	0.474	22%	0.224	S	C	.	.	S	Bend	trans	85.6	-4.4	-170.5	0	0	0	0	0	114.1	L470 P471	L470-G473 PolarHBondContact O-N 3.07Å; P471-G473 PolarHBondContact O-N 3.43Å
474	A	93.4	Very high	95.2	Very high	40 Å²	40	40.4 Å²	40.4	33%	0.331	23%	0.229	S	C	.	.			trans	-69.8	137.5	176.5	0	0	0	0	0	111.3	L470 S472	L470-A474 PolarHBondContact N-O 3.26Å; S472-A474 VanDerWaalsContact C-N 3.3Å
475	S	96.2	Very high	95.2	Very high	13 Å²	13	39.3 Å²	39.3	9%	0.091	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	134.7	174.8	59.4	0	0	0	0	111.5	H468 V493	H468-S475 CarbonylContact O-C 3.58Å; H468-S475 VanDerWaalsContact O-CA 3.25Å; H468-S475 WeakPolarHBondContact O-CA 3.09Å; S475-V493 WeakPolarHBondContact O-CG1 3.43Å; S475-V493 WeakPolarHBondContact OG-CA 3.46Å; S475-V493 WeakPolarHBondContact OG-CB 3.21Å; S475-V493 VanDerWaalsContact OG-CG1 3.29Å; S475-V493 WeakPolarHBondContact OG-CG1 3.32Å
476	H	97.1	Very high	95	Very high	47 Å²	47	40.3 Å²	40.3	22%	0.218	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	147.5	174.5	-69.2	-89.2	0	0	0	111	I467 H468 Y478 T486	I467-H476 CarbonylContact C-O 3.47Å; I467-H476 VanDerWaalsContact CA-O 3.32Å; I467-H476 WeakPolarHBondContact CA-O 3.5Å; H468-H476 HydrophobicContact CB-CB 4.48Å; H468-H476 PolarHBondContact N-O 3.15Å; H468-H476 PolarHBondContact O-N 3.16Å; H476-Y478 HydrophobicContact CB-CD2 4.39Å; H476-Y478 HydrophobicContact CB-CE2 3.55Å; H476-Y478 WeakPolarHBondContact CB-OH 3.25Å; H476-T486 WeakPolarHBondContact CA-OG1 3.49Å; H476-T486 PolarHBondContact ND1-OG1 2.89Å
477	V	97.5	Very high	94.8	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	117.1	178.8	-175.9	0	0	0	0	108.9	A465 I467 N485 T486 Y489 I492 V493	A465-V477 HydrophobicContact CB-CG1 3.82Å; I467-V477 HydrophobicContact CG1-CG2 4.42Å; V477-N485 HydrophobicContact CG1-CB 4.42Å; V477-N485 CarbonylContact O-C 3.5Å; V477-N485 VanDerWaalsContact O-CA 3.32Å; V477-N485 WeakPolarHBondContact O-CA 3.37Å; V477-N485 WeakPolarHBondContact O-CB 3.43Å; V477-N485 PolarHBondContact O-N 3.48Å; V477-T486 PolarHBondContact N-OG1 3.33Å; V477-T486 PolarHBondContact O-N 2.9Å; V477-Y489 HydrophobicContact CG1-CD2 4.01Å; V477-I492 HydrophobicContact CG2-CB 4.41Å; V477-I492 HydrophobicContact CG2-CG2 3.96Å; V477-V493 HydrophobicContact CG2-CG1 3.81Å
478	Y	97.8	Very high	94.5	Very high	8 Å²	8	43.8 Å²	43.8	3%	0.031	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	144.3	178.9	-56.7	-79.2	0	0	0	112.1	G428 P430 A465 Q466 H468 H476 E483 D484	G428-Y478 WeakPolarHBondContact CA-OH 3.28Å; G428-Y478 PolarHBondContact O-OH 2.92Å; P430-Y478 HydrophobicContact CB-CD1 4Å; P430-Y478 HydrophobicContact CB-CD2 3.75Å; P430-Y478 HydrophobicContact CB-CE2 4.4Å; P430-Y478 HydrophobicContact CB-CG 3.5Å; P430-Y478 HydrophobicContact CG-CD1 3.57Å; P430-Y478 HydrophobicContact CG-CD2 4.13Å; P430-Y478 HydrophobicContact CG-CE1 3.98Å; P430-Y478 HydrophobicContact CG-CE2 4.47Å; P430-Y478 HydrophobicContact CG-CG 3.65Å; A465-Y478 WeakPolarHBondContact CA-O 3.27Å; Q466-Y478 PolarHBondContact N-O 3.28Å; Q466-Y478 PolarHBondContact O-N 3.29Å; H468-Y478 HydrophobicContact CB-CE2 4.02Å; H468-Y478 AromaticContact CD2-CD2 3.34Å; H468-Y478 WeakPolarHBondContact CD2-CD2 3.05Å; H468-Y478 AromaticContact CD2-CE2 3.51Å; H468-Y478 AromaticContact CG-CD2 3.94Å; H468-Y478 AromaticContact CG-CE2 3.6Å; H468-Y478 AromaticContact NE2-CD2 3.56Å; H468-Y478 AromaticContact NE2-CE2 3.86Å; H476-Y478 HydrophobicContact CB-CD2 4.39Å; H476-Y478 HydrophobicContact CB-CE2 3.55Å; H476-Y478 WeakPolarHBondContact CB-OH 3.25Å; Y478-E483 CarbonylContact C-O 3.54Å; Y478-E483 WeakPolarHBondContact CA-O 3.43Å; Y478-D484 HydrophobicContact CD1-CB 4.11Å; Y478-D484 HydrophobicContact CE1-CB 4.01Å
479	S	95.7	Very high	94.3	Very high	16 Å²	16	43.9 Å²	43.9	11%	0.112	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	170.4	177.7	84.6	0	0	0	0	112.3	N481 Q482 E483 N485	S479-N481 PolarHBondContact O-N 3.25Å; S479-N481 PolarHBondContact OG-N 3.28Å; S479-N481 VanDerWaalsContact OG-N 3.13Å; S479-Q482 WeakPolarHBondContact O-CA 3.28Å; S479-Q482 PolarHBondContact O-N 3.23Å; S479-E483 PolarHBondContact N-O 3.32Å; S479-E483 WeakPolarHBondContact OG-CB 3.48Å; S479-E483 PolarHBondContact OG-N 2.82Å; S479-E483 VanDerWaalsContact OG-N 3.16Å; S479-N485 WeakPolarHBondContact CB-ND2 3.42Å
480	R	94	Very high	94.1	Very high	132 Å²	132	44.3 Å²	44.3	50%	0.498	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49	-31.6	168.5	-179.7	173.4	-179.2	179.9	-4.7	114.3	P433 L435 R464 Q482	P433-R480 WeakPolarHBondContact CD-O 3.35Å; P433-R480 HydrophobicContact CG-CB 4.41Å; P433-R480 HydrophobicContact CG-CG 3.76Å; P433-R480 WeakPolarHBondContact CG-O 3.39Å; L435-R480 VanDerWaalsContact CD2-NH2 3.32Å; R464-R480 HydrophobicContact CB-CB 4.37Å; R480-Q482 VanDerWaalsContact C-N 3.32Å
481	N	92.1	Very high	93.9	Very high	99 Å²	99	43.8 Å²	43.8	53%	0.529	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	12.4	-179.3	-67.2	-28.9	0	0	0	112.8	S479 E483	S479-N481 PolarHBondContact O-N 3.25Å; S479-N481 PolarHBondContact OG-N 3.28Å; S479-N481 VanDerWaalsContact OG-N 3.13Å; N481-E483 HydrophobicContact CB-CG 4.29Å; N481-E483 PolarHBondContact O-N 2.83Å
482	Q	94.5	Very high	94	Very high	8 Å²	8	39 Å²	39	4%	0.037	22%	0.223	C	C	.	.	S	Bend	trans	65.8	21.2	-175.4	-54.4	154	113.8	0	0	113.3	A229 Y230 P430 K432 S479 R480	A229-Q482 CarbonylContact C-O 3.55Å; A229-Q482 HydrophobicContact CB-CB 4.13Å; Y230-Q482 WeakPolarHBondContact CA-O 3.14Å; Y230-Q482 WeakPolarHBondContact CB-O 3.47Å; Y230-Q482 PolarHBondContact N-O 2.97Å; P430-Q482 HydrophobicContact CB-CB 4.09Å; P430-Q482 HydrophobicContact CB-CG 4.18Å; P430-Q482 HydrophobicContact CG-CB 3.71Å; P430-Q482 HydrophobicContact CG-CG 4.24Å; P430-Q482 PolarHBondContact O-OE1 2.77Å; K432-Q482 HydrophobicContact CG-CG 4.17Å; S479-Q482 WeakPolarHBondContact O-CA 3.28Å; S479-Q482 PolarHBondContact O-N 3.23Å; R480-Q482 VanDerWaalsContact C-N 3.32Å
483	E	94.6	Very high	94.1	Very high	99 Å²	99	35.5 Å²	35.5	46%	0.463	20%	0.197	S	C	.	.			trans	-78.8	138.7	173.9	-59.6	174.5	171.6	0	0	109.3	Y478 S479 N481 N485	Y478-E483 CarbonylContact C-O 3.54Å; Y478-E483 WeakPolarHBondContact CA-O 3.43Å; S479-E483 PolarHBondContact N-O 3.32Å; S479-E483 WeakPolarHBondContact OG-CB 3.48Å; S479-E483 PolarHBondContact OG-N 2.82Å; S479-E483 VanDerWaalsContact OG-N 3.16Å; N481-E483 HydrophobicContact CB-CG 4.29Å; N481-E483 PolarHBondContact O-N 2.83Å; E483-N485 PolarHBondContact O-N 2.66Å
484	D	95.8	Very high	94.2	Very high	54 Å²	54	37.7 Å²	37.7	29%	0.289	20%	0.198	S	C	.	.	B	Isolated β-bridge	trans	-71.8	112.3	174.2	-172.1	-2.2	0	0	0	110.8	Y230 Y478 T486	Y230-D484 WeakPolarHBondContact O-CB 3.44Å; Y478-D484 HydrophobicContact CD1-CB 4.11Å; Y478-D484 HydrophobicContact CE1-CB 4.01Å; D484-T486 WeakPolarHBondContact OD1-CB 3.49Å; D484-T486 PolarHBondContact OD1-N 3.27Å; D484-T486 PolarHBondContact OD1-OG1 3.35Å
485	N	95.2	Very high	94.1	Very high	17 Å²	17	38.8 Å²	38.8	9%	0.091	20%	0.198	C	C	.	.			trans	-104.2	11.7	176.7	-84.1	-12.7	0	0	0	112.1	V477 S479 E483 T487 K488 Y489	V477-N485 HydrophobicContact CG1-CB 4.42Å; V477-N485 CarbonylContact O-C 3.5Å; V477-N485 VanDerWaalsContact O-CA 3.32Å; V477-N485 WeakPolarHBondContact O-CA 3.37Å; V477-N485 WeakPolarHBondContact O-CB 3.43Å; V477-N485 PolarHBondContact O-N 3.48Å; S479-N485 WeakPolarHBondContact CB-ND2 3.42Å; E483-N485 PolarHBondContact O-N 2.66Å; N485-T487 VanDerWaalsContact C-N 3.3Å; N485-T487 PolarHBondContact O-N 3.12Å; N485-K488 HydrophobicContact CB-CB 4.27Å; N485-K488 WeakPolarHBondContact O-CA 3.06Å; N485-K488 WeakPolarHBondContact O-CB 3.48Å; N485-K488 PolarHBondContact O-N 3.43Å; N485-Y489 HydrophobicContact CB-CD2 4.13Å; N485-Y489 HydrophobicContact CB-CE2 4.26Å; N485-Y489 PolarHBondContact O-N 2.88Å
486	T	95.1	Very high	93.9	Very high	23 Å²	23	38.5 Å²	38.5	14%	0.141	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-54.3	-45.3	-179.2	-57.9	0	0	0	0	111.7	H476 V477 D484 K488 Y489 V493	H476-T486 WeakPolarHBondContact CA-OG1 3.49Å; H476-T486 PolarHBondContact ND1-OG1 2.89Å; V477-T486 PolarHBondContact N-OG1 3.33Å; V477-T486 PolarHBondContact O-N 2.9Å; D484-T486 WeakPolarHBondContact OD1-CB 3.49Å; D484-T486 PolarHBondContact OD1-N 3.27Å; D484-T486 PolarHBondContact OD1-OG1 3.35Å; T486-K488 PolarHBondContact O-N 3.16Å; T486-Y489 CarbonylContact O-C 3.55Å; T486-Y489 PolarHBondContact O-N 3.06Å; T486-Y489 VanDerWaalsContact O-N 3.15Å; T486-V493 HydrophobicContact CG2-CB 4.49Å; T486-V493 HydrophobicContact CG2-CG1 4Å; T486-V493 HydrophobicContact CG2-CG2 4.08Å
487	T	92.4	Very high	93.8	Very high	64 Å²	64	36.4 Å²	36.4	39%	0.393	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-74.4	-10	178.1	68.1	0	0	0	0	114.4	N485 D567 V568	N485-T487 VanDerWaalsContact C-N 3.3Å; N485-T487 PolarHBondContact O-N 3.12Å; T487-D567 PolarHBondContact O-N 3.04Å; T487-D567 PolarHBondContact OG1-N 2.84Å; T487-V568 PolarHBondContact O-N 2.67Å
488	K	92.9	Very high	93.5	Very high	15 Å²	15	39.6 Å²	39.6	7%	0.065	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-81.2	-26	171.4	-176.1	178.2	177.3	-177.1	0	111.7	E463 N485 T486 P490	E463-K488 IonicContact OE1-NZ 2.79Å; E463-K488 PolarHBondContact OE1-NZ 3.13Å; E463-K488 WeakPolarHBondContact OE2-CE 3.39Å; E463-K488 IonicContact OE2-NZ 2.79Å; E463-K488 PolarHBondContact OE2-NZ 3.43Å; N485-K488 HydrophobicContact CB-CB 4.27Å; N485-K488 WeakPolarHBondContact O-CA 3.06Å; N485-K488 WeakPolarHBondContact O-CB 3.48Å; N485-K488 PolarHBondContact O-N 3.43Å; T486-K488 PolarHBondContact O-N 3.16Å; K488-P490 WeakPolarHBondContact O-CD 3.45Å
489	Y	94	Very high	93.3	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.008	22%	0.224	C	C	.	.			trans	-125.3	57.5	-173.9	-66.4	-70.1	0	0	0	112.6	E463 V477 N485 T486 D491 I492 V493 V544 R563	E463-Y489 PolarHBondContact OE2-OH 2.65Å; V477-Y489 HydrophobicContact CG1-CD2 4.01Å; N485-Y489 HydrophobicContact CB-CD2 4.13Å; N485-Y489 HydrophobicContact CB-CE2 4.26Å; N485-Y489 PolarHBondContact O-N 2.88Å; T486-Y489 CarbonylContact O-C 3.55Å; T486-Y489 PolarHBondContact O-N 3.06Å; T486-Y489 VanDerWaalsContact O-N 3.15Å; Y489-D491 WeakPolarHBondContact CA-OD1 3.23Å; Y489-D491 PolarHBondContact O-N 2.9Å; Y489-I492 HydrophobicContact CD1-CD1 3.72Å; Y489-I492 HydrophobicContact CD1-CG1 4.28Å; Y489-I492 HydrophobicContact CD2-CD1 4.41Å; Y489-I492 HydrophobicContact CG-CD1 3.67Å; Y489-I492 HydrophobicContact CG-CG1 4.31Å; Y489-I492 WeakPolarHBondContact O-CB 3.48Å; Y489-I492 PolarHBondContact O-N 3.14Å; Y489-V493 PolarHBondContact O-N 2.68Å; Y489-V544 HydrophobicContact CD1-CG1 4.46Å; Y489-V544 HydrophobicContact CE1-CG1 3.75Å; Y489-R563 VanDerWaalsContact CD1-NH1 3.29Å
490	P	92.5	Very high	93.2	Very high	12 Å²	12	42.9 Å²	42.9	8%	0.078	22%	0.218	C	C	.	.	H	α-helix	trans	-59.7	-32.5	177	27.8	-35.2	0	0	0	111.7	K488 I492 V493 N494 V568 E570 L573	K488-P490 WeakPolarHBondContact O-CD 3.45Å; P490-I492 VanDerWaalsContact C-N 3.3Å; P490-I492 PolarHBondContact O-N 2.67Å; P490-V493 PolarHBondContact O-N 3.17Å; P490-N494 WeakPolarHBondContact O-CB 3.33Å; P490-N494 VanDerWaalsContact O-CG 3.31Å; P490-N494 PolarHBondContact O-N 3.36Å; P490-N494 PolarHBondContact O-ND2 3.26Å; P490-V568 HydrophobicContact CG-CB 4.28Å; P490-V568 HydrophobicContact CG-CG1 4.49Å; P490-E570 HydrophobicContact CB-CB 4.45Å; P490-E570 HydrophobicContact CG-CB 4.33Å; P490-L573 HydrophobicContact CG-CD1 4.23Å
491	D	91.6	Very high	93.2	Very high	25 Å²	25	38.4 Å²	38.4	13%	0.134	20%	0.204	C	C	.	.	I	π-helix	trans	-63.4	-31.8	175.3	54	-33.8	0	0	0	113.6	Y489 N495 L496 R563 L573 I577	Y489-D491 WeakPolarHBondContact CA-OD1 3.23Å; Y489-D491 PolarHBondContact O-N 2.9Å; D491-N495 WeakPolarHBondContact O-CB 3.45Å; D491-N495 PolarHBondContact O-N 2.69Å; D491-L496 PolarHBondContact O-N 2.84Å; D491-R563 IonicContact OD1-CZ 2.94Å; D491-R563 IonicContact OD1-NH1 3.7Å; D491-R563 PolarHBondContact OD1-NH1 2.94Å; D491-R563 IonicContact OD1-NH2 2.59Å; D491-R563 IonicContact OD2-CZ 3.14Å; D491-R563 IonicContact OD2-NH1 3.99Å; D491-R563 PolarHBondContact OD2-NH1 3.06Å; D491-R563 VanDerWaalsContact OD2-NH1 3.17Å; D491-R563 IonicContact OD2-NH2 2.76Å; D491-R563 PolarHBondContact OD2-NH2 2.87Å; D491-L573 HydrophobicContact CB-CD1 3.64Å; D491-I577 VanDerWaalsContact OD2-CG1 3.3Å; D491-I577 WeakPolarHBondContact OD2-CG1 3.26Å
492	I	93.1	Very high	93.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.211	C	C	.	.	I	π-helix	trans	-70	-55.8	172.9	-62.6	-179.1	0	0	0	109.4	V477 Y489 P490 L496 M497 V544 I577 I579	V477-I492 HydrophobicContact CG2-CB 4.41Å; V477-I492 HydrophobicContact CG2-CG2 3.96Å; Y489-I492 HydrophobicContact CD1-CD1 3.72Å; Y489-I492 HydrophobicContact CD1-CG1 4.28Å; Y489-I492 HydrophobicContact CD2-CD1 4.41Å; Y489-I492 HydrophobicContact CG-CD1 3.67Å; Y489-I492 HydrophobicContact CG-CG1 4.31Å; Y489-I492 WeakPolarHBondContact O-CB 3.48Å; Y489-I492 PolarHBondContact O-N 3.14Å; P490-I492 VanDerWaalsContact C-N 3.3Å; P490-I492 PolarHBondContact O-N 2.67Å; I492-L496 WeakPolarHBondContact O-CB 3.39Å; I492-L496 PolarHBondContact O-N 2.6Å; I492-M497 HydrophobicContact CG2-CG 4.22Å; I492-M497 WeakPolarHBondContact O-CG 3.43Å; I492-M497 PolarHBondContact O-N 2.68Å; I492-V544 HydrophobicContact CD1-CG2 3.9Å; I492-I577 HydrophobicContact CD1-CD1 3.94Å; I492-I577 HydrophobicContact CG1-CD1 3.67Å; I492-I579 HydrophobicContact CB-CD1 4.42Å; I492-I579 HydrophobicContact CD1-CD1 3.71Å; I492-I579 HydrophobicContact CD1-CG1 4.17Å; I492-I579 HydrophobicContact CG1-CD1 3.9Å; I492-I579 HydrophobicContact CG2-CD1 3.72Å
493	V	92.9	Very high	93	Very high	24 Å²	24	44 Å²	44	15%	0.145	24%	0.236	C	C	.	.	I	π-helix	trans	-79.1	-34.6	-167.4	-61.6	0	0	0	0	114.1	S475 V477 T486 Y489 P490	S475-V493 WeakPolarHBondContact O-CG1 3.43Å; S475-V493 WeakPolarHBondContact OG-CA 3.46Å; S475-V493 WeakPolarHBondContact OG-CB 3.21Å; S475-V493 VanDerWaalsContact OG-CG1 3.29Å; S475-V493 WeakPolarHBondContact OG-CG1 3.32Å; V477-V493 HydrophobicContact CG2-CG1 3.81Å; T486-V493 HydrophobicContact CG2-CB 4.49Å; T486-V493 HydrophobicContact CG2-CG1 4Å; T486-V493 HydrophobicContact CG2-CG2 4.08Å; Y489-V493 PolarHBondContact O-N 2.68Å; P490-V493 PolarHBondContact O-N 3.17Å
494	N	90.4	Very high	93	Very high	92 Å²	92	39.7 Å²	39.7	49%	0.492	22%	0.217	S	C	.	.	I	π-helix	trans	-85.3	-37.5	-178.9	-59.5	-21.8	0	0	0	112.1	P490 E570	P490-N494 WeakPolarHBondContact O-CB 3.33Å; P490-N494 VanDerWaalsContact O-CG 3.31Å; P490-N494 PolarHBondContact O-N 3.36Å; P490-N494 PolarHBondContact O-ND2 3.26Å; N494-E570 PolarHBondContact ND2-OE2 3.31Å; N494-E570 VanDerWaalsContact ND2-OE2 3.14Å
495	N	90.5	Very high	92.9	Very high	64 Å²	64	43 Å²	43	34%	0.342	23%	0.229	S	C	.	.	I	π-helix	trans	-112.8	-54.3	-169.7	-61.7	-32.1	0	0	0	113.5	D491 S498 R499 E570	D491-N495 WeakPolarHBondContact O-CB 3.45Å; D491-N495 PolarHBondContact O-N 2.69Å; N495-S498 PolarHBondContact O-N 3.25Å; N495-S498 PolarHBondContact O-OG 3.43Å; N495-R499 PolarHBondContact O-N 2.85Å; N495-E570 VanDerWaalsContact ND2-CD 3.32Å; N495-E570 PolarHBondContact ND2-OE1 3.34Å
496	L	93.4	Very high	92.8	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.031	23%	0.225	C	C	.	.	I	π-helix	trans	-66.2	-50.9	-173.3	-177.2	57	0	0	0	111.2	D491 I492 S498 R499 V500 I579 I611 E614 F615	D491-L496 PolarHBondContact O-N 2.84Å; I492-L496 WeakPolarHBondContact O-CB 3.39Å; I492-L496 PolarHBondContact O-N 2.6Å; L496-S498 PolarHBondContact O-N 2.82Å; L496-R499 PolarHBondContact O-N 2.76Å; L496-V500 HydrophobicContact CD1-CG2 3.99Å; L496-V500 HydrophobicContact CG-CG2 4.18Å; L496-V500 WeakPolarHBondContact O-CG2 3.32Å; L496-V500 PolarHBondContact O-N 2.77Å; L496-I579 HydrophobicContact CD2-CD1 3.47Å; L496-I579 VanDerWaalsContact CD2-CD1 3.47Å; L496-I579 HydrophobicContact CD2-CG1 3.9Å; L496-I611 HydrophobicContact CD1-CD1 4.41Å; L496-E614 HydrophobicContact CD1-CB 3.75Å; L496-E614 WeakPolarHBondContact CD2-O 3.15Å; L496-F615 HydrophobicContact CD1-CB 4.15Å; L496-F615 HydrophobicContact CD2-CB 4.4Å; L496-F615 HydrophobicContact CD2-CD2 4.38Å
497	M	93.6	Very high	92.7	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.015	22%	0.224	C	C	.	.	H	α-helix	trans	-63.4	-30.2	179.1	-64.9	-47	-52.3	0	0	112.3	I467 I469 I492 R499 V500 L501	I467-M497 HydrophobicContact CG2-SD 4.43Å; I469-M497 HydrophobicContact CD1-CE 3.65Å; I469-M497 HydrophobicContact CG1-CE 4.38Å; I492-M497 HydrophobicContact CG2-CG 4.22Å; I492-M497 WeakPolarHBondContact O-CG 3.43Å; I492-M497 PolarHBondContact O-N 2.68Å; M497-R499 PolarHBondContact O-N 3.31Å; M497-V500 HydrophobicContact CE-CB 4.31Å; M497-V500 HydrophobicContact CE-CG1 4.21Å; M497-V500 PolarHBondContact O-N 2.76Å; M497-L501 HydrophobicContact CB-CD1 4.2Å; M497-L501 HydrophobicContact CB-CG 4.37Å; M497-L501 HydrophobicContact CE-CD1 4.23Å; M497-L501 HydrophobicContact CE-CD2 3.53Å; M497-L501 HydrophobicContact CE-CG 3.64Å; M497-L501 VanDerWaalsContact O-CB 3.31Å; M497-L501 WeakPolarHBondContact O-CB 3.44Å; M497-L501 VanDerWaalsContact O-CG 3.24Å; M497-L501 WeakPolarHBondContact O-CG 3.39Å; M497-L501 PolarHBondContact O-N 2.87Å
498	S	91.5	Very high	92.8	Very high	69 Å²	69	44.4 Å²	44.4	48%	0.483	24%	0.239	S	C	.	.	H	α-helix	trans	-63.6	-22.5	174.9	81.5	0	0	0	0	113.9	N495 L496 P502	N495-S498 PolarHBondContact O-N 3.25Å; N495-S498 PolarHBondContact O-OG 3.43Å; L496-S498 PolarHBondContact O-N 2.82Å; S498-P502 WeakPolarHBondContact O-CD 3.49Å; S498-P502 WeakPolarHBondContact O-CG 3.45Å
499	R	92.9	Very high	92.8	Very high	93 Å²	93	46.9 Å²	46.9	35%	0.351	25%	0.251	S	S	.	.	H	α-helix	trans	-96.9	-37.5	174.9	-70.3	178.9	-69	133.8	-3.2	112.7	N495 L496 M497 I611 E614	N495-R499 PolarHBondContact O-N 2.85Å; L496-R499 PolarHBondContact O-N 2.76Å; M497-R499 PolarHBondContact O-N 3.31Å; R499-I611 HydrophobicContact CB-CD1 4.33Å; R499-E614 IonicContact CZ-OE1 3.31Å; R499-E614 IonicContact CZ-OE2 2.97Å; R499-E614 VanDerWaalsContact NH1-CD 3.32Å; R499-E614 IonicContact NH1-OE1 3.48Å; R499-E614 PolarHBondContact NH1-OE1 2.68Å; R499-E614 IonicContact NH1-OE2 3.54Å; R499-E614 PolarHBondContact NH1-OE2 2.93Å; R499-E614 IonicContact NH2-OE1 2.65Å; R499-E614 IonicContact NH2-OE2 3.91Å; R499-E614 PolarHBondContact NH2-OE2 3.39Å
500	V	94.5	Very high	92.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-69.9	-45.8	-179.9	173.5	0	0	0	0	111.6	L496 M497 E503 S504 F608 P609 I611 F615	L496-V500 HydrophobicContact CD1-CG2 3.99Å; L496-V500 HydrophobicContact CG-CG2 4.18Å; L496-V500 WeakPolarHBondContact O-CG2 3.32Å; L496-V500 PolarHBondContact O-N 2.77Å; M497-V500 HydrophobicContact CE-CB 4.31Å; M497-V500 HydrophobicContact CE-CG1 4.21Å; M497-V500 PolarHBondContact O-N 2.76Å; V500-E503 PolarHBondContact O-N 2.76Å; V500-S504 PolarHBondContact O-N 3.27Å; V500-S504 PolarHBondContact O-OG 3.07Å; V500-F608 HydrophobicContact CG1-CD1 3.95Å; V500-P609 HydrophobicContact CG1-CG 4.12Å; V500-I611 HydrophobicContact CG2-CD1 3.72Å; V500-F615 HydrophobicContact CG1-CD1 4.22Å; V500-F615 HydrophobicContact CG1-CD2 4.41Å; V500-F615 HydrophobicContact CG1-CE1 4.04Å; V500-F615 HydrophobicContact CG1-CE2 4.22Å; V500-F615 HydrophobicContact CG1-CG 4.4Å; V500-F615 HydrophobicContact CG1-CZ 4.01Å; V500-F615 HydrophobicContact CG2-CB 3.91Å; V500-F615 HydrophobicContact CG2-CD1 4.24Å; V500-F615 HydrophobicContact CG2-CD2 3.98Å; V500-F615 HydrophobicContact CG2-CG 3.78Å
501	L	92.9	Very high	92.9	Very high	38 Å²	38	48.4 Å²	48.4	20%	0.199	26%	0.258	C	S	.	.	H	α-helix	trans	-66.4	-41.3	-172	-66.1	175.6	0	0	0	114.3	I469 M497 E503 S504 L535	I469-L501 HydrophobicContact CD1-CD1 4.25Å; I469-L501 HydrophobicContact CD1-CD2 4.14Å; I469-L501 HydrophobicContact CG1-CD2 4.02Å; I469-L501 HydrophobicContact CG2-CD1 4.17Å; I469-L501 HydrophobicContact CG2-CD2 4.14Å; M497-L501 HydrophobicContact CB-CD1 4.2Å; M497-L501 HydrophobicContact CB-CG 4.37Å; M497-L501 HydrophobicContact CE-CD1 4.23Å; M497-L501 HydrophobicContact CE-CD2 3.53Å; M497-L501 HydrophobicContact CE-CG 3.64Å; M497-L501 VanDerWaalsContact O-CB 3.31Å; M497-L501 WeakPolarHBondContact O-CB 3.44Å; M497-L501 VanDerWaalsContact O-CG 3.24Å; M497-L501 WeakPolarHBondContact O-CG 3.39Å; M497-L501 PolarHBondContact O-N 2.87Å; L501-E503 PolarHBondContact O-N 3.07Å; L501-S504 WeakPolarHBondContact O-CB 3.39Å; L501-S504 PolarHBondContact O-N 3.42Å; L501-S504 VanDerWaalsContact O-N 3.11Å; L501-L535 HydrophobicContact CD2-CD2 3.96Å
502	P	91.5	Very high	93	Very high	104 Å²	104	52.6 Å²	52.6	68%	0.675	28%	0.277	S	S	*	.	H	α-helix	trans	-63.2	-29.1	177	-25.3	36.4	0	0	0	114.1	S498	S498-P502 WeakPolarHBondContact O-CD 3.49Å; S498-P502 WeakPolarHBondContact O-CG 3.45Å
503	E	92.4	Very high	93	Very high	120 Å²	120	53.3 Å²	53.3	56%	0.561	28%	0.281	S	S	*	.	H	α-helix	trans	-86.2	-15	176.2	-70.2	-177.7	-170.2	0	0	112.6	V500 L501 P609	V500-E503 PolarHBondContact O-N 2.76Å; L501-E503 PolarHBondContact O-N 3.07Å; E503-P609 HydrophobicContact CB-CB 4.1Å; E503-P609 HydrophobicContact CB-CG 3.81Å; E503-P609 WeakPolarHBondContact OE2-CB 3.48Å
504	S	94.2	Very high	93.1	Very high	8 Å²	8	52.2 Å²	52.2	6%	0.056	27%	0.274	C	S	.	.			trans	-78	123.4	178.6	-57.4	0	0	0	0	110.6	V500 L501 V607 F608 P609	V500-S504 PolarHBondContact O-N 3.27Å; V500-S504 PolarHBondContact O-OG 3.07Å; L501-S504 WeakPolarHBondContact O-CB 3.39Å; L501-S504 PolarHBondContact O-N 3.42Å; L501-S504 VanDerWaalsContact O-N 3.11Å; S504-V607 CarbonylContact C-O 3.52Å; S504-V607 WeakPolarHBondContact CA-O 3.06Å; S504-V607 WeakPolarHBondContact CB-O 3.37Å; S504-F608 VanDerWaalsContact OG-CD1 3.3Å; S504-F608 WeakPolarHBondContact OG-CD1 3.49Å; S504-P609 WeakPolarHBondContact OG-CD 3.29Å
505	K	92.7	Very high	93.1	Very high	124 Å²	124	49.8 Å²	49.8	54%	0.539	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-143.9	146.7	-176.7	63.8	-173.2	177.8	-174.7	0	111.1	T507 N533 V607	K505-T507 PolarHBondContact O-N 3.15Å; K505-T507 VanDerWaalsContact O-N 3.15Å; K505-N533 WeakPolarHBondContact CA-O 3.49Å; K505-V607 PolarHBondContact N-O 3.11Å; K505-V607 VanDerWaalsContact N-O 3.14Å; K505-V607 WeakPolarHBondContact O-CA 3.36Å
506	L	93.2	Very high	93.1	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.021	27%	0.269	C	S	.	.			trans	-75.4	104.6	169.4	-78.5	68.3	0	0	0	107.5	I511 L514 I530 N533 L535 I587	L506-I511 HydrophobicContact CB-CD1 4.24Å; L506-I511 HydrophobicContact CB-CG1 3.81Å; L506-I511 HydrophobicContact CD2-CG1 4.44Å; L506-L514 HydrophobicContact CD2-CD1 3.85Å; L506-L514 HydrophobicContact CG-CD1 4.44Å; L506-I530 HydrophobicContact CD2-CG2 3.86Å; L506-N533 PolarHBondContact N-O 3.36Å; L506-L535 HydrophobicContact CD1-CB 4.23Å; L506-L535 HydrophobicContact CD1-CD1 4.38Å; L506-I587 HydrophobicContact CD1-CD1 4.22Å; L506-I587 HydrophobicContact CG-CD1 4.42Å
507	T	93.9	Very high	93	Very high	19 Å²	19	51.1 Å²	51.1	12%	0.117	27%	0.269	C	S	.	.			trans	-65.9	159.1	174.3	66.3	0	0	0	0	110.2	K505 H509 A510 I511 E606	K505-T507 PolarHBondContact O-N 3.15Å; K505-T507 VanDerWaalsContact O-N 3.15Å; T507-H509 PolarHBondContact O-N 3.3Å; T507-A510 PolarHBondContact O-N 2.86Å; T507-A510 VanDerWaalsContact O-N 3.09Å; T507-A510 PolarHBondContact OG1-N 3.13Å; T507-I511 WeakPolarHBondContact O-CG1 3.49Å; T507-I511 PolarHBondContact O-N 2.79Å; T507-E606 WeakPolarHBondContact CB-OE2 3.31Å; T507-E606 HydrophobicContact CG2-CB 4.41Å; T507-E606 VanDerWaalsContact CG2-O 3.31Å; T507-E606 WeakPolarHBondContact CG2-O 3.48Å; T507-E606 WeakPolarHBondContact CG2-OE2 3.42Å; T507-E606 PolarHBondContact OG1-OE2 3.36Å
508	P	93.7	Very high	92.7	Very high	110 Å²	110	52.3 Å²	52.3	71%	0.714	28%	0.276	S	S	*	.	H	α-helix	trans	-51.9	-39.6	175.4	-28.4	36.2	0	0	0	113.1	I511 E512	P508-I511 PolarHBondContact O-N 3.26Å; P508-E512 PolarHBondContact O-N 2.88Å
509	H	94.3	Very high	92.4	Very high	67 Å²	67	56.3 Å²	56.3	31%	0.31	29%	0.285	S	S	.	.	H	α-helix	trans	-65.7	-45.4	176.6	-170	52.8	0	0	0	112.4	T507 I511 E512 L513 E602	T507-H509 PolarHBondContact O-N 3.3Å; H509-I511 VanDerWaalsContact C-N 3.29Å; H509-I511 PolarHBondContact O-N 2.87Å; H509-E512 WeakPolarHBondContact O-CB 3.47Å; H509-E512 PolarHBondContact O-N 3.49Å; H509-L513 PolarHBondContact O-N 3.39Å; H509-E602 IonicContact CD2-OE1 2.72Å; H509-E602 IonicContact CE1-OE1 2.78Å; H509-E602 IonicContact NE2-OE1 3.72Å; H509-E602 PolarHBondContact NE2-OE1 2.83Å
510	A	94.6	Very high	91.8	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.3	-37.9	174.3	0	0	0	0	0	112.3	T507 E512 L514 E606 V607	T507-A510 PolarHBondContact O-N 2.86Å; T507-A510 VanDerWaalsContact O-N 3.09Å; T507-A510 PolarHBondContact OG1-N 3.13Å; A510-E512 VanDerWaalsContact C-N 3.35Å; A510-L514 WeakPolarHBondContact O-CB 3.45Å; A510-L514 WeakPolarHBondContact O-CD1 3.39Å; A510-L514 WeakPolarHBondContact O-CG 3.34Å; A510-L514 PolarHBondContact O-N 3.39Å; A510-E606 HydrophobicContact CB-CB 4.04Å; A510-V607 HydrophobicContact CB-CG2 4.17Å
511	I	93.5	Very high	90.7	Very high	47 Å²	47	60.8 Å²	60.8	24%	0.241	32%	0.315	C	S	.	.	H	α-helix	trans	-65	-40.2	176.2	-65.9	169.8	0	0	0	110.8	L506 T507 P508 H509 S515	L506-I511 HydrophobicContact CB-CD1 4.24Å; L506-I511 HydrophobicContact CB-CG1 3.81Å; L506-I511 HydrophobicContact CD2-CG1 4.44Å; T507-I511 WeakPolarHBondContact O-CG1 3.49Å; T507-I511 PolarHBondContact O-N 2.79Å; P508-I511 PolarHBondContact O-N 3.26Å; H509-I511 VanDerWaalsContact C-N 3.29Å; H509-I511 PolarHBondContact O-N 2.87Å; I511-S515 VanDerWaalsContact O-CB 3.25Å; I511-S515 WeakPolarHBondContact O-CB 3.32Å; I511-S515 PolarHBondContact O-N 2.95Å; I511-S515 PolarHBondContact O-OG 3.12Å
512	E	93.3	Very high	89.3	Confident	112 Å²	112	68 Å²	68	52%	0.523	35%	0.345	S	S	.	.	H	α-helix	trans	-60	-55	176.1	-177.6	169.5	-161	0	0	111	P508 H509 A510 L514 S515 E516	P508-E512 PolarHBondContact O-N 2.88Å; H509-E512 WeakPolarHBondContact O-CB 3.47Å; H509-E512 PolarHBondContact O-N 3.49Å; A510-E512 VanDerWaalsContact C-N 3.35Å; E512-L514 VanDerWaalsContact C-N 3.34Å; E512-L514 PolarHBondContact O-N 3Å; E512-S515 WeakPolarHBondContact O-CB 3.22Å; E512-S515 PolarHBondContact O-N 3.18Å; E512-E516 PolarHBondContact O-N 3.48Å
513	L	94.1	Very high	87.9	Confident	15 Å²	15	65.7 Å²	65.7	8%	0.079	33%	0.327	C	S	.	.	H	α-helix	trans	-54.8	-47.5	176.9	-67.9	175.9	0	0	0	112.1	H509 S515 E516 I517 I599 E602 I603	H509-L513 PolarHBondContact O-N 3.39Å; L513-S515 VanDerWaalsContact C-N 3.31Å; L513-S515 PolarHBondContact O-N 3.44Å; L513-E516 PolarHBondContact O-N 3.37Å; L513-I517 WeakPolarHBondContact O-CD1 3.4Å; L513-I517 VanDerWaalsContact O-CG1 3.25Å; L513-I517 WeakPolarHBondContact O-CG1 3.5Å; L513-I517 PolarHBondContact O-N 2.82Å; L513-I517 VanDerWaalsContact O-N 3.11Å; L513-I599 HydrophobicContact CD2-CD1 4.2Å; L513-E602 HydrophobicContact CD1-CB 4.39Å; L513-E602 HydrophobicContact CD1-CG 3.94Å; L513-I603 HydrophobicContact CB-CD1 4.37Å; L513-I603 HydrophobicContact CB-CG1 4.25Å; L513-I603 HydrophobicContact CD1-CG1 3.92Å
514	L	93.5	Very high	85.8	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-66	-33.6	178.8	-69.1	171	0	0	0	112.4	L506 A510 E512 I517 V518 I530 I587 I590 L592 I603	L506-L514 HydrophobicContact CD2-CD1 3.85Å; L506-L514 HydrophobicContact CG-CD1 4.44Å; A510-L514 WeakPolarHBondContact O-CB 3.45Å; A510-L514 WeakPolarHBondContact O-CD1 3.39Å; A510-L514 WeakPolarHBondContact O-CG 3.34Å; A510-L514 PolarHBondContact O-N 3.39Å; E512-L514 VanDerWaalsContact C-N 3.34Å; E512-L514 PolarHBondContact O-N 3Å; L514-I517 HydrophobicContact CD2-CD1 4.44Å; L514-I517 PolarHBondContact O-N 2.91Å; L514-V518 WeakPolarHBondContact O-CG2 3.46Å; L514-V518 PolarHBondContact O-N 2.98Å; L514-V518 VanDerWaalsContact O-N 3.08Å; L514-I530 HydrophobicContact CB-CD1 3.22Å; L514-I530 HydrophobicContact CD1-CD1 4.24Å; L514-I530 HydrophobicContact CG-CD1 4.36Å; L514-I587 HydrophobicContact CD1-CD1 4.48Å; L514-I587 HydrophobicContact CD1-CG2 4.1Å; L514-I587 HydrophobicContact CD2-CG2 3.5Å; L514-I587 HydrophobicContact CG-CG2 4.46Å; L514-I590 HydrophobicContact CB-CD1 4.08Å; L514-I590 HydrophobicContact CD2-CD1 4.07Å; L514-I590 HydrophobicContact CD2-CG2 4.45Å; L514-L592 HydrophobicContact CD2-CD2 3.98Å; L514-I603 HydrophobicContact CD2-CD1 3.93Å; L514-I603 HydrophobicContact CG-CD1 4.36Å
515	S	91.2	Very high	83.8	Confident	41 Å²	41	70.3 Å²	70.3	29%	0.287	35%	0.35	S	S	.	.	H	α-helix	trans	-69.3	-35.5	177.4	-62.9	0	0	0	0	112.2	I511 E512 L513 K519	I511-S515 VanDerWaalsContact O-CB 3.25Å; I511-S515 WeakPolarHBondContact O-CB 3.32Å; I511-S515 PolarHBondContact O-N 2.95Å; I511-S515 PolarHBondContact O-OG 3.12Å; E512-S515 WeakPolarHBondContact O-CB 3.22Å; E512-S515 PolarHBondContact O-N 3.18Å; L513-S515 VanDerWaalsContact C-N 3.31Å; L513-S515 PolarHBondContact O-N 3.44Å; S515-K519 VanDerWaalsContact O-CG 3.31Å; S515-K519 WeakPolarHBondContact O-CG 3.38Å; S515-K519 PolarHBondContact O-N 2.75Å
516	E	90.1	Very high	81.6	Confident	94 Å²	94	73.1 Å²	73.1	44%	0.439	36%	0.364	S	S	.	.	H	α-helix	trans	-64.2	-48.6	172.2	-67.6	-177.7	158	0	0	111	E512 L513 V518 K519 D520	E512-E516 PolarHBondContact O-N 3.48Å; L513-E516 PolarHBondContact O-N 3.37Å; E516-V518 VanDerWaalsContact C-N 3.27Å; E516-V518 PolarHBondContact O-N 3.12Å; E516-K519 WeakPolarHBondContact O-CB 3.36Å; E516-K519 PolarHBondContact O-N 3.09Å; E516-D520 PolarHBondContact O-N 3.5Å
517	I	90.9	Very high	79.1	Confident	5 Å²	5	78.7 Å²	78.7	3%	0.026	40%	0.404	C	S	.	.	H	α-helix	trans	-56.7	-40.4	178	-65.8	164.5	0	0	0	112	L513 L514 N521 I590 L592 Q595 I599 I603	L513-I517 WeakPolarHBondContact O-CD1 3.4Å; L513-I517 VanDerWaalsContact O-CG1 3.25Å; L513-I517 WeakPolarHBondContact O-CG1 3.5Å; L513-I517 PolarHBondContact O-N 2.82Å; L513-I517 VanDerWaalsContact O-N 3.11Å; L514-I517 HydrophobicContact CD2-CD1 4.44Å; L514-I517 PolarHBondContact O-N 2.91Å; I517-N521 WeakPolarHBondContact CG2-ND2 3.44Å; I517-N521 WeakPolarHBondContact O-CB 3.39Å; I517-N521 PolarHBondContact O-N 3.44Å; I517-N521 PolarHBondContact O-ND2 3.06Å; I517-I590 HydrophobicContact CG2-CG2 3.94Å; I517-L592 HydrophobicContact CD1-CD2 3.78Å; I517-Q595 HydrophobicContact CD1-CG 3.99Å; I517-Q595 HydrophobicContact CG1-CG 4.16Å; I517-Q595 HydrophobicContact CG2-CG 4.16Å; I517-I599 HydrophobicContact CD1-CG2 4.01Å; I517-I603 HydrophobicContact CD1-CD1 4.02Å
518	V	87.3	Confident	76.5	Confident	27 Å²	27	83.4 Å²	83.4	16%	0.164	43%	0.428	C	S	.	.	H	α-helix	trans	-67.5	-38.8	178	168.9	0	0	0	0	111.8	L514 E516 K522 I523 V525 I590	L514-V518 WeakPolarHBondContact O-CG2 3.46Å; L514-V518 PolarHBondContact O-N 2.98Å; L514-V518 VanDerWaalsContact O-N 3.08Å; E516-V518 VanDerWaalsContact C-N 3.27Å; E516-V518 PolarHBondContact O-N 3.12Å; V518-K522 PolarHBondContact O-N 3.35Å; V518-I523 PolarHBondContact O-N 3.06Å; V518-V525 HydrophobicContact CB-CG2 4.45Å; V518-V525 HydrophobicContact CG1-CG2 3.71Å; V518-V525 HydrophobicContact CG2-CG2 3.78Å; V518-I590 HydrophobicContact CG2-CD1 3.57Å; V518-I590 HydrophobicContact CG2-CG1 3.94Å
519	K	86.1	Confident	74.6	Confident	154 Å²	154	80.5 Å²	80.5	67%	0.67	42%	0.418	S	S	*	.	H	α-helix	trans	-65.4	-47.3	177.3	-72.8	169.4	-175.2	171.9	0	111.2	S515 E516 K522	S515-K519 VanDerWaalsContact O-CG 3.31Å; S515-K519 WeakPolarHBondContact O-CG 3.38Å; S515-K519 PolarHBondContact O-N 2.75Å; E516-K519 WeakPolarHBondContact O-CB 3.36Å; E516-K519 PolarHBondContact O-N 3.09Å; K519-K522 PolarHBondContact O-N 2.81Å
520	D	79.5	Confident	73.2	Confident	127 Å²	127	79.1 Å²	79.1	68%	0.679	41%	0.413	S	S	*	.	H	α-helix	trans	-66.2	-42	-175.5	-70.1	-12.6	0	0	0	112.1	E516 K522	E516-D520 PolarHBondContact O-N 3.5Å; D520-K522 VanDerWaalsContact C-N 3.29Å; D520-K522 PolarHBondContact O-N 3.33Å
521	N	72.5	Confident	71.6	Confident	60 Å²	60	84.5 Å²	84.5	32%	0.321	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	3.4	-176.5	-67.4	-50.4	0	0	0	114.2	I517 I523 Q595	I517-N521 WeakPolarHBondContact CG2-ND2 3.44Å; I517-N521 WeakPolarHBondContact O-CB 3.39Å; I517-N521 PolarHBondContact O-N 3.44Å; I517-N521 PolarHBondContact O-ND2 3.06Å; N521-I523 HydrophobicContact CB-CD1 3.54Å; N521-I523 HydrophobicContact CB-CG1 3.51Å; N521-I523 PolarHBondContact O-N 3.26Å; N521-Q595 PolarHBondContact ND2-NE2 3.1Å
522	K	63.7	Low	70.8	Confident	188 Å²	188	84.2 Å²	84.2	82%	0.817	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	32.8	-174.5	-59.5	177.6	-178.5	170.4	0	112.9	V518 K519 D520 Q524	V518-K522 PolarHBondContact O-N 3.35Å; K519-K522 PolarHBondContact O-N 2.81Å; D520-K522 VanDerWaalsContact C-N 3.29Å; D520-K522 PolarHBondContact O-N 3.33Å; K522-Q524 PolarHBondContact O-N 2.91Å
523	I	60.6	Low	70.5	Confident	57 Å²	57	83.9 Å²	83.9	29%	0.292	46%	0.456	S	S	.	.			trans	-69.6	120.1	-175.3	-64.7	166	0	0	0	107.7	V518 N521 V525	V518-I523 PolarHBondContact O-N 3.06Å; N521-I523 HydrophobicContact CB-CD1 3.54Å; N521-I523 HydrophobicContact CB-CG1 3.51Å; N521-I523 PolarHBondContact O-N 3.26Å; I523-V525 HydrophobicContact CB-CG2 4.48Å; I523-V525 HydrophobicContact CG2-CG2 3.87Å; I523-V525 PolarHBondContact O-N 3.28Å
524	Q	50	Low	70.3	Confident	191 Å²	191	90 Å²	90	89%	0.893	48%	0.482	S	S	*	.			trans	-70.6	80.7	163.1	-67	-166.1	2.3	0	0	108.3	K522	K522-Q524 PolarHBondContact O-N 2.91Å
525	V	52	Low	70.3	Confident	34 Å²	34	90.9 Å²	90.9	21%	0.206	49%	0.487	C	S	.	.			trans	-60.7	138.5	161.3	-173.4	0	0	0	0	106.1	V518 I523 S527 G529	V518-V525 HydrophobicContact CB-CG2 4.45Å; V518-V525 HydrophobicContact CG1-CG2 3.71Å; V518-V525 HydrophobicContact CG2-CG2 3.78Å; I523-V525 HydrophobicContact CB-CG2 4.48Å; I523-V525 HydrophobicContact CG2-CG2 3.87Å; I523-V525 PolarHBondContact O-N 3.28Å; V525-S527 VanDerWaalsContact C-N 3.34Å; V525-S527 PolarHBondContact O-N 2.86Å; V525-G529 WeakPolarHBondContact CG1-O 3.39Å
526	Q	46	Very low	70.3	Confident	182 Å²	182	93.8 Å²	93.8	85%	0.85	50%	0.496	S	S	*	.	S	Bend	trans	-48.8	92.7	-177.7	-67.4	-179.7	5.9	0	0	111.3	N528	Q526-N528 PolarHBondContact O-N 3.38Å
527	S	40.2	Very low	70.6	Confident	122 Å²	122	89.7 Å²	89.7	85%	0.853	48%	0.478	S	S	*	.	S	Bend	trans	36.3	-6.3	175.4	-65.4	0	0	0	0	121.3	V525	V525-S527 VanDerWaalsContact C-N 3.34Å; V525-S527 PolarHBondContact O-N 2.86Å
528	N	39	Very low	70.8	Confident	117 Å²	117	89.5 Å²	89.5	63%	0.626	48%	0.476	S	S	*	.	S	Bend	trans	-141.2	52.4	-169.7	-63.9	-12.6	0	0	0	110.3	Q526 V531	Q526-N528 PolarHBondContact O-N 3.38Å; N528-V531 HydrophobicContact CB-CG2 3.67Å; N528-V531 WeakPolarHBondContact O-CG2 3.46Å
529	G	54.9	Low	71.4	Confident	49 Å²	49	88.2 Å²	88.2	51%	0.505	47%	0.469	S	S	.	.			trans	38.6	-149.2	165.9	0	0	0	0	0	117.2	V525	V525-G529 WeakPolarHBondContact CG1-O 3.39Å
530	I	63.6	Low	71.9	Confident	39 Å²	39	80.9 Å²	80.9	20%	0.2	44%	0.437	C	S	.	.	S	Bend	trans	-91.5	97.1	164.7	-58.9	167.9	0	0	0	105.7	L506 L514 G532 I590	L506-I530 HydrophobicContact CD2-CG2 3.86Å; L514-I530 HydrophobicContact CB-CD1 3.22Å; L514-I530 HydrophobicContact CD1-CD1 4.24Å; L514-I530 HydrophobicContact CG-CD1 4.36Å; I530-G532 PolarHBondContact O-N 2.87Å; I530-I590 HydrophobicContact CD1-CD1 4.01Å; I530-I590 HydrophobicContact CG1-CD1 4.08Å
531	V	61.8	Low	72.8	Confident	112 Å²	112	74.9 Å²	74.9	68%	0.679	41%	0.405	S	S	*	.			trans	-86.7	106.9	176.7	178.1	0	0	0	0	109.4	N528	N528-V531 HydrophobicContact CB-CG2 3.67Å; N528-V531 WeakPolarHBondContact O-CG2 3.46Å
532	G	77.3	Confident	74	Confident	42 Å²	42	72 Å²	72	43%	0.433	39%	0.389	S	S	.	.	S	Bend	trans	92.2	-178.1	168.9	0	0	0	0	0	114.9	I530	I530-G532 PolarHBondContact O-N 2.87Å
533	N	86	Confident	75.7	Confident	104 Å²	104	64.5 Å²	64.5	56%	0.556	36%	0.357	S	S	*	.	S	Bend	trans	-104.1	7.5	-172	63.1	-8.5	0	0	0	113.3	K505 L506	K505-N533 WeakPolarHBondContact CA-O 3.49Å; L506-N533 PolarHBondContact N-O 3.36Å
534	K	89.9	Confident	77.4	Confident	145 Å²	145	61.8 Å²	61.8	63%	0.63	34%	0.343	S	S	*	.	B	Isolated β-bridge	trans	-89.9	135	-172.5	-174.3	-179.4	175.6	-171.3	0	111.4	E536 N588	K534-E536 PolarHBondContact O-N 3.08Å; K534-N588 PolarHBondContact O-ND2 3.05Å
535	L	92.7	Very high	79.7	Confident	18 Å²	18	52.7 Å²	52.7	9%	0.094	30%	0.301	C	S	.	.			trans	-75.2	114.9	165.4	-177.1	64.9	0	0	0	109.3	L501 L506 C538 I587 V607 F608	L501-L535 HydrophobicContact CD2-CD2 3.96Å; L506-L535 HydrophobicContact CD1-CB 4.23Å; L506-L535 HydrophobicContact CD1-CD1 4.38Å; L535-C538 HydrophobicContact CD1-CB 4.08Å; L535-I587 HydrophobicContact CD1-CD1 3.83Å; L535-I587 HydrophobicContact CD1-CG1 3.77Å; L535-V607 HydrophobicContact CD1-CG1 4.28Å; L535-V607 HydrophobicContact CD2-CG1 4.3Å; L535-F608 HydrophobicContact CD2-CE1 3.76Å; L535-F608 HydrophobicContact CD2-CZ 3.91Å
536	E	92.6	Very high	81.7	Confident	103 Å²	103	51.1 Å²	51.1	48%	0.481	29%	0.292	S	S	.	.			trans	-101	-40.9	179.8	-60.4	-173	162	0	0	111.8	L470 P471 K534 N588	L470-E536 CarbonylContact C-O 3.55Å; P471-E536 WeakPolarHBondContact CA-O 3.45Å; K534-E536 PolarHBondContact O-N 3.08Å; E536-N588 WeakPolarHBondContact CA-OD1 3.34Å; E536-N588 PolarHBondContact N-OD1 2.93Å
537	S	95.2	Very high	84.1	Confident	8 Å²	8	43.6 Å²	43.6	6%	0.056	26%	0.255	C	S	.	.			trans	-154.9	148.2	178.4	56.3	0	0	0	0	111.3	I469 I587 N588	I469-S537 CarbonylContact O-C 3.58Å; I469-S537 WeakPolarHBondContact O-CA 3.17Å; I469-S537 WeakPolarHBondContact O-CB 3.36Å; S537-I587 CarbonylContact O-C 3.51Å; S537-I587 WeakPolarHBondContact O-CA 3.45Å; S537-N588 PolarHBondContact N-OD1 3.25Å; S537-N588 PolarHBondContact O-N 3.37Å; S537-N588 PolarHBondContact O-OD1 2.89Å
538	C	96.8	Very high	86.6	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	167.1	174.6	67.3	0	0	0	0	112.7	H468 I469 L535 F586	H468-C538 WeakPolarHBondContact CA-O 3.44Å; I469-C538 WeakPolarHBondContact CG1-SG 3.46Å; I469-C538 PolarHBondContact N-O 3.03Å; I469-C538 PolarHBondContact O-N 3.4Å; L535-C538 HydrophobicContact CD1-CB 4.08Å; C538-F586 CarbonylContact C-O 3.56Å; C538-F586 WeakPolarHBondContact CA-O 3.19Å; C538-F586 VanDerWaalsContact CB-O 3.3Å; C538-F586 WeakPolarHBondContact CB-O 3.34Å
539	I	98.2	Very high	89	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	118.4	168.5	-56.7	175.1	0	0	0	107.6	I425 P427 L431 Q466 I467 L585 F586	I425-I539 HydrophobicContact CG2-CD1 3.41Å; I425-I539 VanDerWaalsContact CG2-CD1 3.41Å; P427-I539 HydrophobicContact CG-CG1 4.4Å; L431-I539 HydrophobicContact CD1-CD1 3.95Å; L431-I539 HydrophobicContact CD1-CG2 4.17Å; Q466-I539 HydrophobicContact CG-CG2 3.74Å; I467-I539 WeakPolarHBondContact O-CA 3.29Å; I539-L585 HydrophobicContact CB-CB 4.34Å; I539-L585 HydrophobicContact CG2-CB 4.26Å; I539-L585 HydrophobicContact CG2-CD1 4.17Å; I539-L585 HydrophobicContact CG2-CG 4.45Å; I539-L585 PolarHBondContact O-N 3.12Å; I539-F586 HydrophobicContact CB-CB 4.02Å; I539-F586 HydrophobicContact CD1-CB 3.95Å; I539-F586 HydrophobicContact CD1-CG 4.38Å; I539-F586 HydrophobicContact CG1-CB 3.95Å; I539-F586 HydrophobicContact CG1-CD1 4.38Å; I539-F586 HydrophobicContact CG1-CG 4.47Å; I539-F586 PolarHBondContact N-O 3.47Å
540	I	98	Very high	90.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	145	177	61	-179.7	0	0	0	110.5	Q466 I467 V581 D583 I584 L604 F608 F615	Q466-I540 CarbonylContact C-O 3.5Å; Q466-I540 WeakPolarHBondContact CA-O 3.21Å; I467-I540 HydrophobicContact CB-CD1 4.07Å; I467-I540 HydrophobicContact CB-CG1 3.67Å; I467-I540 HydrophobicContact CD1-CD1 4.2Å; I467-I540 HydrophobicContact CD1-CG1 4.47Å; I467-I540 HydrophobicContact CG1-CG1 4.46Å; I467-I540 HydrophobicContact CG2-CD1 4.43Å; I467-I540 HydrophobicContact CG2-CG1 4.4Å; I467-I540 PolarHBondContact N-O 3.34Å; I467-I540 PolarHBondContact O-N 2.56Å; I540-V581 HydrophobicContact CB-CG1 3.74Å; I540-V581 HydrophobicContact CD1-CG1 3.82Å; I540-V581 HydrophobicContact CG1-CG1 4.08Å; I540-V581 HydrophobicContact CG2-CG1 4.36Å; I540-D583 WeakPolarHBondContact CA-O 3.45Å; I540-I584 HydrophobicContact CG2-CB 4.29Å; I540-I584 HydrophobicContact CG2-CD1 4.48Å; I540-I584 HydrophobicContact CG2-CG1 4.04Å; I540-L604 HydrophobicContact CG2-CD1 3.99Å; I540-F608 HydrophobicContact CG2-CE2 3.79Å; I540-F608 HydrophobicContact CG2-CZ 3.91Å; I540-F615 HydrophobicContact CD1-CE2 4.12Å; I540-F615 HydrophobicContact CD1-CZ 4.02Å
541	D	98.1	Very high	91.8	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	131.4	175.4	-152.8	-11.9	0	0	0	108.9	R464 V581 F582 D583 Y655	R464-D541 IonicContact CZ-OD1 2.81Å; R464-D541 IonicContact CZ-OD2 2.69Å; R464-D541 IonicContact NE-OD1 3.24Å; R464-D541 PolarHBondContact NE-OD1 3.06Å; R464-D541 IonicContact NE-OD2 2.62Å; R464-D541 PolarHBondContact NE-OD2 3.04Å; R464-D541 IonicContact NH2-OD1 3.48Å; R464-D541 IonicContact NH2-OD2 3.92Å; R464-D541 PolarHBondContact NH2-OD2 2.85Å; D541-V581 WeakPolarHBondContact O-CG1 3.45Å; D541-F582 HydrophobicContact CB-CD2 4.32Å; D541-F582 HydrophobicContact CB-CE2 3.62Å; D541-F582 HydrophobicContact CB-CZ 3.87Å; D541-F582 VanDerWaalsContact CG-CE2 3.4Å; D541-F582 PolarHBondContact O-N 3.33Å; D541-F582 VanDerWaalsContact OD1-CZ 3.24Å; D541-F582 WeakPolarHBondContact OD1-CZ 3.47Å; D541-D583 HydrophobicContact CB-CB 3.86Å; D541-D583 PolarHBondContact N-O 3.26Å; D541-D583 PolarHBondContact O-N 3.36Å; D541-Y655 PolarHBondContact OD2-OH 2.93Å
542	S	98.2	Very high	93.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	165.5	-169.4	69.3	0	0	0	0	112.6	R464 A465 Y580 F582	R464-S542 WeakPolarHBondContact CA-O 3.39Å; A465-S542 PolarHBondContact N-O 3.45Å; A465-S542 PolarHBondContact O-N 3.03Å; A465-S542 PolarHBondContact O-OG 3.12Å; S542-Y580 CarbonylContact C-O 3.55Å; S542-Y580 WeakPolarHBondContact CA-O 3.37Å; S542-Y580 WeakPolarHBondContact CB-O 3.29Å; S542-F582 VanDerWaalsContact CA-CE1 3.48Å
543	E	98	Very high	93.9	Very high	31 Å²	31	42.3 Å²	42.3	15%	0.145	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	132.1	168.3	-160.7	79.9	-175.9	0	0	110.1	Y460 G462 E463 R464 V545 I579 Y580	Y460-E543 HydrophobicContact CD2-CB 4.29Å; G462-E543 VanDerWaalsContact CA-OE1 3.25Å; G462-E543 WeakPolarHBondContact CA-OE1 3.25Å; G462-E543 PolarHBondContact N-OE1 3.38Å; G462-E543 VanDerWaalsContact O-OE1 3.05Å; E463-E543 PolarHBondContact N-OE1 2.97Å; R464-E543 VanDerWaalsContact CA-OE2 3.32Å; R464-E543 WeakPolarHBondContact CA-OE2 3.13Å; R464-E543 PolarHBondContact N-OE1 3.24Å; R464-E543 PolarHBondContact N-OE2 3.45Å; E543-V545 HydrophobicContact CG-CG1 4.32Å; E543-I579 WeakPolarHBondContact O-CA 3.16Å; E543-Y580 PolarHBondContact N-O 2.93Å; E543-Y580 PolarHBondContact O-N 3.4Å
544	V	97.6	Very high	94.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	124.4	169.8	179.3	0	0	0	0	108.8	G462 E463 A465 Y489 I492 L560 I577 I579	G462-V544 CarbonylContact C-O 3.5Å; G462-V544 WeakPolarHBondContact CA-O 3.32Å; E463-V544 PolarHBondContact N-O 2.96Å; E463-V544 PolarHBondContact O-N 2.92Å; A465-V544 HydrophobicContact CB-CG2 3.56Å; Y489-V544 HydrophobicContact CD1-CG1 4.46Å; Y489-V544 HydrophobicContact CE1-CG1 3.75Å; I492-V544 HydrophobicContact CD1-CG2 3.9Å; V544-L560 HydrophobicContact CG1-CD1 4.36Å; V544-L560 VanDerWaalsContact O-CD2 3.23Å; V544-L560 WeakPolarHBondContact O-CD2 3.41Å; V544-I577 HydrophobicContact CG1-CB 3.89Å; V544-I577 HydrophobicContact CG1-CD1 4.23Å; V544-I577 HydrophobicContact CG1-CG1 4.35Å; V544-I577 HydrophobicContact CG1-CG2 3.98Å; V544-I579 HydrophobicContact CG2-CG1 4.37Å
545	V	97	Very high	94.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	155.2	175.7	-56.4	0	0	0	0	111.1	Y460 E543 W547 I554 I577 C578 Y580	Y460-V545 HydrophobicContact CD1-CG1 4.5Å; Y460-V545 HydrophobicContact CG-CG1 4.45Å; E543-V545 HydrophobicContact CG-CG1 4.32Å; V545-W547 HydrophobicContact CG2-CE3 4.49Å; V545-I554 HydrophobicContact CB-CG2 4.03Å; V545-I554 HydrophobicContact CG1-CG2 4.45Å; V545-I554 HydrophobicContact CG2-CG1 4.25Å; V545-I554 HydrophobicContact CG2-CG2 4.17Å; V545-I577 CarbonylContact O-C 3.55Å; V545-I577 WeakPolarHBondContact O-CA 3.31Å; V545-I577 VanDerWaalsContact O-CB 3.31Å; V545-I577 WeakPolarHBondContact O-CB 3.42Å; V545-C578 HydrophobicContact CG2-CB 4Å; V545-C578 PolarHBondContact N-O 3.38Å; V545-C578 PolarHBondContact O-N 3.18Å; V545-Y580 HydrophobicContact CG1-CD2 4.25Å; V545-Y580 HydrophobicContact CG2-CD2 3.9Å; V545-Y580 HydrophobicContact CG2-CE2 3.62Å
546	A	95.2	Very high	94.2	Very high	1 Å²	1	32 Å²	32	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	137.9	164.6	0	0	0	0	0	109.2	L555 V559 L560 V575 Q576	A546-L555 HydrophobicContact CB-CB 3.81Å; A546-L555 PolarHBondContact O-N 3.08Å; A546-V559 HydrophobicContact CB-CB 4.13Å; A546-V559 HydrophobicContact CB-CG1 4.18Å; A546-L560 HydrophobicContact CB-CB 3.96Å; A546-V575 HydrophobicContact CB-CG1 3.91Å; A546-Q576 WeakPolarHBondContact CA-O 3.3Å
547	W	95	Very high	94	Very high	23 Å²	23	29.9 Å²	29.9	9%	0.087	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	136.4	-172.6	-173.7	-93.7	0	0	0	111.1	V545 G552 I554 Q576 C578 Y580 M616	V545-W547 HydrophobicContact CG2-CE3 4.49Å; W547-G552 WeakPolarHBondContact CH2-O 3.43Å; W547-G552 VanDerWaalsContact CZ2-O 3.26Å; W547-G552 WeakPolarHBondContact CZ2-O 3.34Å; W547-I554 HydrophobicContact CE3-CB 4.49Å; W547-I554 HydrophobicContact CE3-CG1 3.77Å; W547-I554 HydrophobicContact CZ3-CG1 3.51Å; W547-Q576 PolarHBondContact N-O 2.93Å; W547-Q576 WeakPolarHBondContact O-CB 3.26Å; W547-C578 HydrophobicContact CB-CB 3.84Å; W547-C578 HydrophobicContact CD2-CB 4.03Å; W547-C578 HydrophobicContact CE3-CB 4.04Å; W547-C578 HydrophobicContact CG-CB 3.96Å; W547-Y580 WeakPolarHBondContact CZ3-OH 3.04Å; W547-M616 HydrophobicContact CH2-CE 3.83Å; W547-M616 HydrophobicContact CZ2-CE 4.26Å; W547-M616 HydrophobicContact CZ3-CE 3.99Å
548	D	93.6	Very high	93.5	Very high	42 Å²	42	32 Å²	32	23%	0.225	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	109.2	169.4	-170.7	-32.2	0	0	0	109.4	L550 A551 G552 H553 L555	D548-L550 VanDerWaalsContact C-N 3.3Å; D548-L550 PolarHBondContact O-N 3.4Å; D548-L550 WeakPolarHBondContact OD1-CB 3.3Å; D548-L550 PolarHBondContact OD1-N 3.34Å; D548-A551 HydrophobicContact CB-CB 4.13Å; D548-A551 PolarHBondContact OD1-N 2.87Å; D548-G552 WeakPolarHBondContact O-CA 3.44Å; D548-G552 PolarHBondContact O-N 3.04Å; D548-H553 PolarHBondContact N-O 2.9Å; D548-L555 HydrophobicContact CB-CD1 4.19Å; D548-L555 HydrophobicContact CB-CD2 4.09Å; D548-L555 HydrophobicContact CB-CG 4.05Å
549	R	89.6	Confident	93.2	Very high	114 Å²	114	34.2 Å²	34.2	43%	0.43	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-22.9	-179.6	-71.8	-173.4	-170.7	-137.2	-1.4	114	Q576 E614	R549-Q576 VanDerWaalsContact CB-OE1 3.3Å; R549-E614 VanDerWaalsContact CZ-CD 3.48Å; R549-E614 IonicContact CZ-OE1 2.8Å; R549-E614 IonicContact CZ-OE2 3.6Å; R549-E614 IonicContact NH1-OE1 2.81Å; R549-E614 PolarHBondContact NH1-OE1 3.32Å; R549-E614 VanDerWaalsContact NH1-OE1 3.14Å; R549-E614 IonicContact NH1-OE2 3.86Å; R549-E614 PolarHBondContact NH1-OE2 3.46Å; R549-E614 IonicContact NH2-OE2 2.72Å; R549-E614 PolarHBondContact NH2-OE2 3.23Å
550	L	89.2	Confident	92.8	Very high	174 Å²	174	34.2 Å²	34.2	91%	0.911	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-47.7	178.8	-64.8	176.2	0	0	0	110.2	D548	D548-L550 VanDerWaalsContact C-N 3.3Å; D548-L550 PolarHBondContact O-N 3.4Å; D548-L550 WeakPolarHBondContact OD1-CB 3.3Å; D548-L550 PolarHBondContact OD1-N 3.34Å
551	A	88.9	Confident	92.2	Very high	40 Å²	40	37.3 Å²	37.3	33%	0.331	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-9.1	-178.2	0	0	0	0	0	113.6	D548 H553	D548-A551 HydrophobicContact CB-CB 4.13Å; D548-A551 PolarHBondContact OD1-N 2.87Å; A551-H553 WeakPolarHBondContact CB-CE1 3.39Å; A551-H553 WeakPolarHBondContact CB-ND1 3.26Å; A551-H553 PolarHBondContact O-N 3.03Å; A551-H553 PolarHBondContact O-ND1 3.37Å
552	G	91.3	Very high	91.7	Very high	45 Å²	45	42.2 Å²	42.2	46%	0.464	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	32.8	172.7	0	0	0	0	0	114.9	W547 D548	W547-G552 WeakPolarHBondContact CH2-O 3.43Å; W547-G552 VanDerWaalsContact CZ2-O 3.26Å; W547-G552 WeakPolarHBondContact CZ2-O 3.34Å; D548-G552 WeakPolarHBondContact O-CA 3.44Å; D548-G552 PolarHBondContact O-N 3.04Å
553	H	91.5	Very high	91.2	Very high	40 Å²	40	43.1 Å²	43.1	19%	0.185	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	165.8	-177.9	72.8	-80.8	0	0	0	113.3	D548 A551	D548-H553 PolarHBondContact N-O 2.9Å; A551-H553 WeakPolarHBondContact CB-CE1 3.39Å; A551-H553 WeakPolarHBondContact CB-ND1 3.26Å; A551-H553 PolarHBondContact O-N 3.03Å; A551-H553 PolarHBondContact O-ND1 3.37Å
554	I	94.1	Very high	90.5	Very high	8 Å²	8	47.9 Å²	47.9	4%	0.041	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	129.1	178.8	-57.2	179.9	0	0	0	110	Y460 V545 W547 Y580 N640	Y460-I554 HydrophobicContact CD1-CD1 3.7Å; Y460-I554 HydrophobicContact CE1-CD1 4.03Å; V545-I554 HydrophobicContact CB-CG2 4.03Å; V545-I554 HydrophobicContact CG1-CG2 4.45Å; V545-I554 HydrophobicContact CG2-CG1 4.25Å; V545-I554 HydrophobicContact CG2-CG2 4.17Å; W547-I554 HydrophobicContact CE3-CB 4.49Å; W547-I554 HydrophobicContact CE3-CG1 3.77Å; W547-I554 HydrophobicContact CZ3-CG1 3.51Å; I554-Y580 HydrophobicContact CD1-CE2 4Å; I554-Y580 HydrophobicContact CG1-CE2 4.38Å; I554-N640 HydrophobicContact CB-CB 4.43Å; I554-N640 PolarHBondContact O-ND2 2.92Å
555	L	91.9	Very high	89.6	Confident	33 Å²	33	55.1 Å²	55.1	17%	0.173	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-87.1	155.5	172.5	-68	171.8	0	0	0	111.1	A546 D548 V559	A546-L555 HydrophobicContact CB-CB 3.81Å; A546-L555 PolarHBondContact O-N 3.08Å; D548-L555 HydrophobicContact CB-CD1 4.19Å; D548-L555 HydrophobicContact CB-CD2 4.09Å; D548-L555 HydrophobicContact CB-CG 4.05Å; L555-V559 HydrophobicContact CB-CB 4.38Å; L555-V559 HydrophobicContact CB-CG2 4.3Å; L555-V559 HydrophobicContact CD1-CG1 4.24Å
556	P	88.3	Confident	88.8	Confident	8 Å²	8	58.7 Å²	58.7	5%	0.052	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-58.6	146.1	179.2	-24.3	33.9	0	0	0	113.1	Q558 V559 Q824 Q828	P556-Q558 VanDerWaalsContact CB-OE1 3.32Å; P556-Q558 PolarHBondContact O-N 2.9Å; P556-V559 VanDerWaalsContact O-CB 3.32Å; P556-V559 WeakPolarHBondContact O-CB 3.5Å; P556-V559 PolarHBondContact O-N 3.5Å; P556-Q824 HydrophobicContact CG-CB 4.3Å; P556-Q828 VanDerWaalsContact CG-NE2 3.3Å
557	F	89.1	Confident	88	Confident	59 Å²	59	64 Å²	64	26%	0.259	33%	0.329	S	S	.	.	H	α-helix	trans	-51.2	-31	179.7	176.5	-97.9	0	0	0	114	G462 E463 V559 L560 S561	G462-F557 VanDerWaalsContact O-CE2 3.31Å; G462-F557 WeakPolarHBondContact O-CE2 3.33Å; E463-F557 HydrophobicContact CG-CE2 3.7Å; E463-F557 HydrophobicContact CG-CZ 4.28Å; F557-V559 PolarHBondContact O-N 3.18Å; F557-L560 HydrophobicContact CD2-CD2 4.31Å; F557-L560 HydrophobicContact CE2-CD2 4.34Å; F557-L560 CarbonylContact O-C 3.52Å; F557-L560 WeakPolarHBondContact O-CA 3.39Å; F557-L560 WeakPolarHBondContact O-CB 3.33Å; F557-L560 PolarHBondContact O-N 3.49Å; F557-S561 PolarHBondContact O-N 3.15Å
558	Q	84.3	Confident	87.4	Confident	52 Å²	52	63.8 Å²	63.8	24%	0.243	33%	0.331	C	S	.	.	H	α-helix	trans	-58	-36.6	177.7	-66.5	82.4	-11.7	0	0	111.5	P556 S561 T562	P556-Q558 VanDerWaalsContact CB-OE1 3.32Å; P556-Q558 PolarHBondContact O-N 2.9Å; Q558-S561 WeakPolarHBondContact CA-OG 3.49Å; Q558-S561 PolarHBondContact O-N 3.37Å; Q558-S561 PolarHBondContact O-OG 3.48Å; Q558-T562 VanDerWaalsContact O-CG2 3.31Å; Q558-T562 WeakPolarHBondContact O-CG2 3.4Å; Q558-T562 PolarHBondContact O-N 3.02Å
559	V	89.3	Confident	86.8	Confident	47 Å²	47	66.3 Å²	66.3	29%	0.285	35%	0.345	S	S	.	.	H	α-helix	trans	-61.8	-48.6	174.8	-177.1	0	0	0	0	109.6	A546 L555 P556 F557 S561 T562 V575	A546-V559 HydrophobicContact CB-CB 4.13Å; A546-V559 HydrophobicContact CB-CG1 4.18Å; L555-V559 HydrophobicContact CB-CB 4.38Å; L555-V559 HydrophobicContact CB-CG2 4.3Å; L555-V559 HydrophobicContact CD1-CG1 4.24Å; P556-V559 VanDerWaalsContact O-CB 3.32Å; P556-V559 WeakPolarHBondContact O-CB 3.5Å; P556-V559 PolarHBondContact O-N 3.5Å; F557-V559 PolarHBondContact O-N 3.18Å; V559-S561 VanDerWaalsContact C-N 3.29Å; V559-S561 PolarHBondContact O-N 3.43Å; V559-T562 WeakPolarHBondContact O-CB 3.3Å; V559-T562 PolarHBondContact O-N 2.97Å; V559-T562 PolarHBondContact O-OG1 3.49Å; V559-V575 HydrophobicContact CG1-CB 4.49Å; V559-V575 HydrophobicContact CG1-CG1 3.92Å; V559-V575 HydrophobicContact CG1-CG2 3.87Å
560	L	90.3	Very high	86.3	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-58.6	-41.7	175.1	-173.7	61.3	0	0	0	111.7	E463 V544 A546 F557 T562 R563 I577	E463-L560 HydrophobicContact CB-CD2 4.24Å; E463-L560 HydrophobicContact CG-CD2 3.84Å; V544-L560 HydrophobicContact CG1-CD1 4.36Å; V544-L560 VanDerWaalsContact O-CD2 3.23Å; V544-L560 WeakPolarHBondContact O-CD2 3.41Å; A546-L560 HydrophobicContact CB-CB 3.96Å; F557-L560 HydrophobicContact CD2-CD2 4.31Å; F557-L560 HydrophobicContact CE2-CD2 4.34Å; F557-L560 CarbonylContact O-C 3.52Å; F557-L560 WeakPolarHBondContact O-CA 3.39Å; F557-L560 WeakPolarHBondContact O-CB 3.33Å; F557-L560 PolarHBondContact O-N 3.49Å; L560-T562 PolarHBondContact O-N 3.32Å; L560-T562 VanDerWaalsContact O-N 3.14Å; L560-R563 WeakPolarHBondContact O-CB 3.49Å; L560-R563 PolarHBondContact O-N 3.4Å; L560-I577 HydrophobicContact CD1-CG2 3.74Å
561	S	86.6	Confident	85.8	Confident	66 Å²	66	60.9 Å²	60.9	46%	0.462	33%	0.33	S	S	.	.	H	α-helix	trans	-65.4	-16	-178.8	85.3	0	0	0	0	114.4	F557 Q558 V559 R563	F557-S561 PolarHBondContact O-N 3.15Å; Q558-S561 WeakPolarHBondContact CA-OG 3.49Å; Q558-S561 PolarHBondContact O-N 3.37Å; Q558-S561 PolarHBondContact O-OG 3.48Å; V559-S561 VanDerWaalsContact C-N 3.29Å; V559-S561 PolarHBondContact O-N 3.43Å; S561-R563 VanDerWaalsContact C-N 3.26Å
562	T	87.2	Confident	85.4	Confident	104 Å²	104	63.3 Å²	63.3	64%	0.638	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-16	174.3	70.1	0	0	0	0	113.2	Q558 V559 L560	Q558-T562 VanDerWaalsContact O-CG2 3.31Å; Q558-T562 WeakPolarHBondContact O-CG2 3.4Å; Q558-T562 PolarHBondContact O-N 3.02Å; V559-T562 WeakPolarHBondContact O-CB 3.3Å; V559-T562 PolarHBondContact O-N 2.97Å; V559-T562 PolarHBondContact O-OG1 3.49Å; L560-T562 PolarHBondContact O-N 3.32Å; L560-T562 VanDerWaalsContact O-N 3.14Å
563	R	86.3	Confident	84.9	Confident	19 Å²	19	63.3 Å²	63.3	7%	0.072	33%	0.331	C	S	.	.	S	Bend	trans	-60.1	140	174.4	-74	-169.6	165.1	-151.4	-0.9	110.5	Y489 D491 L560 S561 V575 I577	Y489-R563 VanDerWaalsContact CD1-NH1 3.29Å; D491-R563 IonicContact OD1-CZ 2.94Å; D491-R563 IonicContact OD1-NH1 3.7Å; D491-R563 PolarHBondContact OD1-NH1 2.94Å; D491-R563 IonicContact OD1-NH2 2.59Å; D491-R563 IonicContact OD2-CZ 3.14Å; D491-R563 IonicContact OD2-NH1 3.99Å; D491-R563 PolarHBondContact OD2-NH1 3.06Å; D491-R563 VanDerWaalsContact OD2-NH1 3.17Å; D491-R563 IonicContact OD2-NH2 2.76Å; D491-R563 PolarHBondContact OD2-NH2 2.87Å; L560-R563 WeakPolarHBondContact O-CB 3.49Å; L560-R563 PolarHBondContact O-N 3.4Å; S561-R563 VanDerWaalsContact C-N 3.26Å; R563-V575 HydrophobicContact CG-CB 4.15Å; R563-V575 HydrophobicContact CG-CG1 4.5Å; R563-V575 HydrophobicContact CG-CG2 4.43Å; R563-V575 PolarHBondContact NE-O 3.32Å; R563-V575 PolarHBondContact NH2-O 3.44Å; R563-I577 VanDerWaalsContact CZ-CG2 3.43Å
564	K	83.5	Confident	84.6	Confident	130 Å²	130	70.9 Å²	70.9	57%	0.565	36%	0.363	S	S	*	.			trans	-63.6	141.8	174.3	179.2	-168.9	-179.1	-160.8	0	109	K566 D567 V568	K564-K566 VanDerWaalsContact CD-O 3.3Å; K564-K566 WeakPolarHBondContact CD-O 3.47Å; K564-K566 WeakPolarHBondContact CE-O 3.31Å; K564-K566 WeakPolarHBondContact CG-O 3.34Å; K564-K566 PolarHBondContact NZ-O 3.49Å; K564-D567 PolarHBondContact NZ-O 3.44Å; K564-V568 HydrophobicContact CB-CG2 4.05Å; K564-V568 VanDerWaalsContact O-CG2 3.27Å; K564-V568 WeakPolarHBondContact O-CG2 3.43Å
565	R	79.7	Confident	84.3	Confident	152 Å²	152	71.3 Å²	71.3	57%	0.574	37%	0.366	S	S	*	.	S	Bend	trans	-74.5	-26.5	-170.3	-67.5	-174.6	-178.4	162.6	4	115.4
566	K	80	Confident	84.4	Confident	76 Å²	76	73.9 Å²	73.9	33%	0.33	38%	0.377	S	S	.	.	S	Bend	trans	-150.2	152.9	-175.1	-66.8	-172.4	173.3	-179.9	0	109.3	E234 K564 V568	E234-K566 IonicContact OE1-NZ 3.17Å; E234-K566 PolarHBondContact OE1-NZ 3.29Å; K564-K566 VanDerWaalsContact CD-O 3.3Å; K564-K566 WeakPolarHBondContact CD-O 3.47Å; K564-K566 WeakPolarHBondContact CE-O 3.31Å; K564-K566 WeakPolarHBondContact CG-O 3.34Å; K564-K566 PolarHBondContact NZ-O 3.49Å; K566-V568 PolarHBondContact O-N 2.7Å
567	D	79.4	Confident	84.7	Confident	111 Å²	111	73.9 Å²	73.9	59%	0.594	38%	0.376	S	S	*	.	S	Bend	trans	51.1	56.6	173.9	-46.8	-41.9	0	0	0	112	T487 K564	T487-D567 PolarHBondContact O-N 3.04Å; T487-D567 PolarHBondContact OG1-N 2.84Å; K564-D567 PolarHBondContact NZ-O 3.44Å
568	V	81.4	Confident	85.1	Confident	19 Å²	19	71 Å²	71	12%	0.115	36%	0.364	C	S	.	.			trans	-81.5	129.4	179	-175	0	0	0	0	108.5	T487 P490 K564 K566 L573	T487-V568 PolarHBondContact O-N 2.67Å; P490-V568 HydrophobicContact CG-CB 4.28Å; P490-V568 HydrophobicContact CG-CG1 4.49Å; K564-V568 HydrophobicContact CB-CG2 4.05Å; K564-V568 VanDerWaalsContact O-CG2 3.27Å; K564-V568 WeakPolarHBondContact O-CG2 3.43Å; K566-V568 PolarHBondContact O-N 2.7Å; V568-L573 HydrophobicContact CG1-CD2 3.51Å; V568-L573 HydrophobicContact CG1-CG 4.19Å
569	D	81	Confident	85.8	Confident	96 Å²	96	68.6 Å²	68.6	51%	0.513	35%	0.352	S	S	.	.			trans	-82.3	125.7	168.2	-178.8	3.3	0	0	0	108.6	S571 T572	D569-S571 PolarHBondContact O-N 3.17Å; D569-S571 PolarHBondContact OD1-N 2.86Å; D569-S571 VanDerWaalsContact OD1-N 3.15Å; D569-S571 PolarHBondContact OD1-OG 2.91Å; D569-S571 PolarHBondContact OD2-OG 3.09Å; D569-T572 HydrophobicContact CB-CG2 4.16Å; D569-T572 PolarHBondContact O-N 3.45Å; D569-T572 PolarHBondContact O-OG1 2.61Å
570	E	78.8	Confident	86.2	Confident	72 Å²	72	67 Å²	67	34%	0.336	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-56.9	-36.3	-178.8	-161.5	-177	129	0	0	112.1	P490 N494 N495 T572 L573	P490-E570 HydrophobicContact CB-CB 4.45Å; P490-E570 HydrophobicContact CG-CB 4.33Å; N494-E570 PolarHBondContact ND2-OE2 3.31Å; N494-E570 VanDerWaalsContact ND2-OE2 3.14Å; N495-E570 VanDerWaalsContact ND2-CD 3.32Å; N495-E570 PolarHBondContact ND2-OE1 3.34Å; E570-T572 PolarHBondContact O-N 2.99Å; E570-T572 VanDerWaalsContact O-N 3.08Å; E570-L573 HydrophobicContact CG-CD1 4.09Å; E570-L573 WeakPolarHBondContact O-CB 3.5Å; E570-L573 WeakPolarHBondContact O-CG 3.32Å; E570-L573 PolarHBondContact O-N 2.83Å; E570-L573 VanDerWaalsContact O-N 3.16Å
571	S	79.2	Confident	86.6	Confident	101 Å²	101	67.1 Å²	67.1	71%	0.706	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-63.3	-18	178.9	75.3	0	0	0	0	113.7	D569	D569-S571 PolarHBondContact O-N 3.17Å; D569-S571 PolarHBondContact OD1-N 2.86Å; D569-S571 VanDerWaalsContact OD1-N 3.15Å; D569-S571 PolarHBondContact OD1-OG 2.91Å; D569-S571 PolarHBondContact OD2-OG 3.09Å
572	T	79.7	Confident	87.1	Confident	91 Å²	91	64.8 Å²	64.8	56%	0.558	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-99.5	0.8	-177.4	69.1	0	0	0	0	113.7	D569 E570 K574	D569-T572 HydrophobicContact CB-CG2 4.16Å; D569-T572 PolarHBondContact O-N 3.45Å; D569-T572 PolarHBondContact O-OG1 2.61Å; E570-T572 PolarHBondContact O-N 2.99Å; E570-T572 VanDerWaalsContact O-N 3.08Å; T572-K574 PolarHBondContact O-N 3.29Å; T572-K574 VanDerWaalsContact O-N 3.12Å
573	L	81.9	Confident	87.6	Confident	46 Å²	46	59.9 Å²	59.9	24%	0.241	29%	0.293	C	S	.	.			trans	-72.5	103	-176.6	-71.6	177.1	0	0	0	111.9	P490 D491 V568 E570	P490-L573 HydrophobicContact CG-CD1 4.23Å; D491-L573 HydrophobicContact CB-CD1 3.64Å; V568-L573 HydrophobicContact CG1-CD2 3.51Å; V568-L573 HydrophobicContact CG1-CG 4.19Å; E570-L573 HydrophobicContact CG-CD1 4.09Å; E570-L573 WeakPolarHBondContact O-CB 3.5Å; E570-L573 WeakPolarHBondContact O-CG 3.32Å; E570-L573 PolarHBondContact O-N 2.83Å; E570-L573 VanDerWaalsContact O-N 3.16Å
574	K	84.8	Confident	88.2	Confident	198 Å²	198	59 Å²	59	86%	0.861	29%	0.29	S	S	*	.			trans	-88.4	-32.4	172.5	-63.2	-175	179.1	-173.9	0	113.4	T572	T572-K574 PolarHBondContact O-N 3.29Å; T572-K574 VanDerWaalsContact O-N 3.12Å
575	V	88.7	Confident	88.8	Confident	18 Å²	18	52.8 Å²	52.8	11%	0.109	26%	0.263	C	S	.	.	S	Bend	trans	-86	117.9	-177.7	177.4	0	0	0	0	107.6	A546 V559 R563	A546-V575 HydrophobicContact CB-CG1 3.91Å; V559-V575 HydrophobicContact CG1-CB 4.49Å; V559-V575 HydrophobicContact CG1-CG1 3.92Å; V559-V575 HydrophobicContact CG1-CG2 3.87Å; R563-V575 HydrophobicContact CG-CB 4.15Å; R563-V575 HydrophobicContact CG-CG1 4.5Å; R563-V575 HydrophobicContact CG-CG2 4.43Å; R563-V575 PolarHBondContact NE-O 3.32Å; R563-V575 PolarHBondContact NH2-O 3.44Å
576	Q	92.8	Very high	89.7	Confident	87 Å²	87	46.2 Å²	46.2	41%	0.407	24%	0.239	S	C	.	.			trans	-82.6	152.1	170.9	-68.4	171.9	-23.9	0	0	109.9	A546 W547 R549	A546-Q576 WeakPolarHBondContact CA-O 3.3Å; W547-Q576 PolarHBondContact N-O 2.93Å; W547-Q576 WeakPolarHBondContact O-CB 3.26Å; R549-Q576 VanDerWaalsContact CB-OE1 3.3Å
577	I	95.4	Very high	90.4	Very high	7 Å²	7	42.6 Å²	42.6	4%	0.036	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	156.1	-178	60.2	92.9	0	0	0	111.7	D491 I492 V544 V545 L560 R563 I579	D491-I577 VanDerWaalsContact OD2-CG1 3.3Å; D491-I577 WeakPolarHBondContact OD2-CG1 3.26Å; I492-I577 HydrophobicContact CD1-CD1 3.94Å; I492-I577 HydrophobicContact CG1-CD1 3.67Å; V544-I577 HydrophobicContact CG1-CB 3.89Å; V544-I577 HydrophobicContact CG1-CD1 4.23Å; V544-I577 HydrophobicContact CG1-CG1 4.35Å; V544-I577 HydrophobicContact CG1-CG2 3.98Å; V545-I577 CarbonylContact O-C 3.55Å; V545-I577 WeakPolarHBondContact O-CA 3.31Å; V545-I577 VanDerWaalsContact O-CB 3.31Å; V545-I577 WeakPolarHBondContact O-CB 3.42Å; L560-I577 HydrophobicContact CD1-CG2 3.74Å; R563-I577 VanDerWaalsContact CZ-CG2 3.43Å; I577-I579 HydrophobicContact CD1-CG1 4.09Å
578	C	97	Very high	91.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	140.4	167.6	-178.5	0	0	0	0	109.1	V545 W547 Y580 G613 M616	V545-C578 HydrophobicContact CG2-CB 4Å; V545-C578 PolarHBondContact N-O 3.38Å; V545-C578 PolarHBondContact O-N 3.18Å; W547-C578 HydrophobicContact CB-CB 3.84Å; W547-C578 HydrophobicContact CD2-CB 4.03Å; W547-C578 HydrophobicContact CE3-CB 4.04Å; W547-C578 HydrophobicContact CG-CB 3.96Å; C578-Y580 HydrophobicContact CB-CE2 4.41Å; C578-G613 WeakPolarHBondContact CB-O 3.45Å; C578-G613 VanDerWaalsContact SG-C 3.59Å; C578-M616 WeakPolarHBondContact SG-CE 3.5Å
579	I	98	Very high	91.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	125.3	173.3	-55.3	-176	0	0	0	108.5	I467 I492 L496 E543 V544 I577 V581 E614 F615 M616	I467-I579 HydrophobicContact CD1-CD1 3.75Å; I467-I579 HydrophobicContact CD1-CG2 4.05Å; I492-I579 HydrophobicContact CB-CD1 4.42Å; I492-I579 HydrophobicContact CD1-CD1 3.71Å; I492-I579 HydrophobicContact CD1-CG1 4.17Å; I492-I579 HydrophobicContact CG1-CD1 3.9Å; I492-I579 HydrophobicContact CG2-CD1 3.72Å; L496-I579 HydrophobicContact CD2-CD1 3.47Å; L496-I579 VanDerWaalsContact CD2-CD1 3.47Å; L496-I579 HydrophobicContact CD2-CG1 3.9Å; E543-I579 WeakPolarHBondContact O-CA 3.16Å; V544-I579 HydrophobicContact CG2-CG1 4.37Å; I577-I579 HydrophobicContact CD1-CG1 4.09Å; I579-V581 HydrophobicContact CG2-CG2 4.38Å; I579-E614 PolarHBondContact N-O 2.99Å; I579-F615 HydrophobicContact CB-CD2 4.2Å; I579-F615 HydrophobicContact CD1-CD2 4.34Å; I579-F615 HydrophobicContact CG2-CD2 4.34Å; I579-F615 HydrophobicContact CG2-CE2 4.43Å; I579-M616 PolarHBondContact O-N 3.47Å
580	Y	98.2	Very high	92.1	Very high	15 Å²	15	35.8 Å²	35.8	6%	0.059	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	102.5	169.3	-74.6	-82.1	0	0	0	109.9	Y460 S542 E543 V545 W547 I554 C578 M616	Y460-Y580 AromaticContact CD1-CD2 3.8Å; Y460-Y580 HydrophobicContact CD1-CD2 3.8Å; Y460-Y580 AromaticContact CD1-CE2 3.92Å; Y460-Y580 HydrophobicContact CD1-CE2 3.92Å; Y460-Y580 HydrophobicContact CD1-CG 4.09Å; Y460-Y580 HydrophobicContact CD2-CD2 4.49Å; Y460-Y580 HydrophobicContact CD2-CG 4.18Å; Y460-Y580 AromaticContact CE1-CD1 3.67Å; Y460-Y580 HydrophobicContact CE1-CD1 3.67Å; Y460-Y580 AromaticContact CE1-CD2 3.72Å; Y460-Y580 HydrophobicContact CE1-CD2 3.72Å; Y460-Y580 AromaticContact CE1-CE1 3.65Å; Y460-Y580 HydrophobicContact CE1-CE1 3.65Å; Y460-Y580 AromaticContact CE1-CE2 3.7Å; Y460-Y580 HydrophobicContact CE1-CE2 3.7Å; Y460-Y580 AromaticContact CE1-CG 3.67Å; Y460-Y580 HydrophobicContact CE1-CG 3.67Å; Y460-Y580 AromaticContact CE1-CZ 3.63Å; Y460-Y580 HydrophobicContact CE2-CD1 4.01Å; Y460-Y580 HydrophobicContact CE2-CD2 4.45Å; Y460-Y580 AromaticContact CE2-CG 3.8Å; Y460-Y580 HydrophobicContact CE2-CG 3.8Å; Y460-Y580 HydrophobicContact CG-CD2 4.2Å; Y460-Y580 HydrophobicContact CG-CG 4.33Å; Y460-Y580 AromaticContact CZ-CD1 3.38Å; Y460-Y580 AromaticContact CZ-CE1 3.74Å; Y460-Y580 AromaticContact CZ-CG 3.52Å; Y460-Y580 WeakPolarHBondContact OH-CD1 3.34Å; S542-Y580 CarbonylContact C-O 3.55Å; S542-Y580 WeakPolarHBondContact CA-O 3.37Å; S542-Y580 WeakPolarHBondContact CB-O 3.29Å; E543-Y580 PolarHBondContact N-O 2.93Å; E543-Y580 PolarHBondContact O-N 3.4Å; V545-Y580 HydrophobicContact CG1-CD2 4.25Å; V545-Y580 HydrophobicContact CG2-CD2 3.9Å; V545-Y580 HydrophobicContact CG2-CE2 3.62Å; W547-Y580 WeakPolarHBondContact CZ3-OH 3.04Å; I554-Y580 HydrophobicContact CD1-CE2 4Å; I554-Y580 HydrophobicContact CG1-CE2 4.38Å; C578-Y580 HydrophobicContact CB-CE2 4.41Å; Y580-M616 CarbonylContact C-O 3.59Å; Y580-M616 VanDerWaalsContact CA-O 3.29Å; Y580-M616 WeakPolarHBondContact CA-O 3.18Å; Y580-M616 HydrophobicContact CD1-CB 4.02Å; Y580-M616 HydrophobicContact CE1-CB 3.97Å; Y580-M616 HydrophobicContact CE1-CE 3.57Å; Y580-M616 HydrophobicContact CE2-CE 4.21Å; Y580-M616 WeakPolarHBondContact OH-CE 3.45Å
581	V	98.3	Very high	92.8	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	132.2	177.3	-141.2	0	0	0	0	109.6	I540 D541 I579 L604 F615 M616 M617 A618	I540-V581 HydrophobicContact CB-CG1 3.74Å; I540-V581 HydrophobicContact CD1-CG1 3.82Å; I540-V581 HydrophobicContact CG1-CG1 4.08Å; I540-V581 HydrophobicContact CG2-CG1 4.36Å; D541-V581 WeakPolarHBondContact O-CG1 3.45Å; I579-V581 HydrophobicContact CG2-CG2 4.38Å; V581-L604 HydrophobicContact CB-CD1 4.4Å; V581-L604 HydrophobicContact CB-CD2 4.28Å; V581-L604 HydrophobicContact CG1-CD1 3.84Å; V581-L604 HydrophobicContact CG1-CD2 4.25Å; V581-F615 HydrophobicContact CG2-CD1 4.2Å; V581-F615 HydrophobicContact CG2-CD2 4.38Å; V581-F615 HydrophobicContact CG2-CE1 3.55Å; V581-F615 HydrophobicContact CG2-CE2 3.79Å; V581-F615 HydrophobicContact CG2-CZ 3.35Å; V581-M616 PolarHBondContact N-O 3.02Å; V581-M617 HydrophobicContact CB-SD 4.3Å; V581-A618 PolarHBondContact O-N 3.39Å
582	F	97.9	Very high	93.6	Very high	18 Å²	18	29.5 Å²	29.5	8%	0.079	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	-5.6	-177.9	61.5	-105.7	0	0	0	113.9	D541 S542 A618 W664	D541-F582 HydrophobicContact CB-CD2 4.32Å; D541-F582 HydrophobicContact CB-CE2 3.62Å; D541-F582 HydrophobicContact CB-CZ 3.87Å; D541-F582 VanDerWaalsContact CG-CE2 3.4Å; D541-F582 PolarHBondContact O-N 3.33Å; D541-F582 VanDerWaalsContact OD1-CZ 3.24Å; D541-F582 WeakPolarHBondContact OD1-CZ 3.47Å; S542-F582 VanDerWaalsContact CA-CE1 3.48Å; F582-A618 HydrophobicContact CB-CB 3.82Å; F582-W664 HydrophobicContact CD2-CH2 4.18Å; F582-W664 AromaticContact CE2-CH2 3.86Å; F582-W664 HydrophobicContact CE2-CH2 3.86Å; F582-W664 HydrophobicContact CE2-CZ3 4.31Å
583	D	97.9	Very high	94.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	159.1	176.7	-142.5	-34.7	0	0	0	112.7	I540 D541 L585 R600 Y655	I540-D583 WeakPolarHBondContact CA-O 3.45Å; D541-D583 HydrophobicContact CB-CB 3.86Å; D541-D583 PolarHBondContact N-O 3.26Å; D541-D583 PolarHBondContact O-N 3.36Å; D583-L585 HydrophobicContact CB-CD2 4.43Å; D583-R600 IonicContact OD1-CZ 3.57Å; D583-R600 IonicContact OD1-NE 3.46Å; D583-R600 IonicContact OD1-NH1 3.56Å; D583-R600 PolarHBondContact OD1-NH1 2.93Å; D583-R600 IonicContact OD2-CZ 2.72Å; D583-R600 IonicContact OD2-NH1 3Å; D583-R600 PolarHBondContact OD2-NH1 2.85Å; D583-R600 IonicContact OD2-NH2 3.78Å; D583-Y655 WeakPolarHBondContact OD2-CD2 3.28Å
584	I	98.1	Very high	94.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	127	170.9	-172	174.3	0	0	0	109.3	I540 I587 L592 R600 I603 L604 F608	I540-I584 HydrophobicContact CG2-CB 4.29Å; I540-I584 HydrophobicContact CG2-CD1 4.48Å; I540-I584 HydrophobicContact CG2-CG1 4.04Å; I584-I587 HydrophobicContact CD1-CB 4.15Å; I584-I587 HydrophobicContact CD1-CD1 4.2Å; I584-L592 HydrophobicContact CD1-CD1 4.35Å; I584-L592 HydrophobicContact CG1-CD1 4.16Å; I584-L592 HydrophobicContact CG2-CD1 3.81Å; I584-R600 HydrophobicContact CG2-CB 4.09Å; I584-R600 WeakPolarHBondContact CG2-O 3.38Å; I584-R600 WeakPolarHBondContact O-CD 3.42Å; I584-I603 HydrophobicContact CD1-CG2 4.19Å; I584-L604 HydrophobicContact CB-CB 4.26Å; I584-L604 HydrophobicContact CB-CD1 4.05Å; I584-L604 HydrophobicContact CG2-CB 3.94Å; I584-F608 HydrophobicContact CD1-CE2 4.21Å
585	L	97.4	Very high	95.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	-26.4	-171.3	-50.6	-174.9	0	0	0	112.7	L431 I539 D583 L592 I593 Y655	L431-L585 HydrophobicContact CD1-CD1 4.18Å; I539-L585 HydrophobicContact CB-CB 4.34Å; I539-L585 HydrophobicContact CG2-CB 4.26Å; I539-L585 HydrophobicContact CG2-CD1 4.17Å; I539-L585 HydrophobicContact CG2-CG 4.45Å; I539-L585 PolarHBondContact O-N 3.12Å; D583-L585 HydrophobicContact CB-CD2 4.43Å; L585-L592 PolarHBondContact O-N 3.32Å; L585-I593 HydrophobicContact CB-CG2 4.15Å; L585-Y655 HydrophobicContact CD1-CD1 4.48Å; L585-Y655 HydrophobicContact CD1-CE1 4.02Å; L585-Y655 HydrophobicContact CD1-CE2 4.34Å; L585-Y655 HydrophobicContact CD2-CD1 4.06Å; L585-Y655 HydrophobicContact CD2-CD2 3.38Å; L585-Y655 HydrophobicContact CD2-CE1 4.19Å; L585-Y655 HydrophobicContact CD2-CE2 3.49Å; L585-Y655 VanDerWaalsContact CD2-CE2 3.49Å; L585-Y655 HydrophobicContact CD2-CG 3.64Å
586	F	96.8	Very high	95.8	Very high	15 Å²	15	22.2 Å²	22.2	7%	0.066	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	142.5	-174.8	176.9	-86.9	0	0	0	110.1	I425 P427 C538 I539 I590	I425-F586 HydrophobicContact CB-CD2 4.13Å; I425-F586 HydrophobicContact CG2-CB 3.95Å; I425-F586 HydrophobicContact CG2-CD2 3.9Å; I425-F586 HydrophobicContact CG2-CG 4.13Å; P427-F586 HydrophobicContact CG-CD1 3.69Å; P427-F586 HydrophobicContact CG-CE1 3.33Å; P427-F586 HydrophobicContact CG-CZ 4.03Å; C538-F586 CarbonylContact C-O 3.56Å; C538-F586 WeakPolarHBondContact CA-O 3.19Å; C538-F586 VanDerWaalsContact CB-O 3.3Å; C538-F586 WeakPolarHBondContact CB-O 3.34Å; I539-F586 HydrophobicContact CB-CB 4.02Å; I539-F586 HydrophobicContact CD1-CB 3.95Å; I539-F586 HydrophobicContact CD1-CG 4.38Å; I539-F586 HydrophobicContact CG1-CB 3.95Å; I539-F586 HydrophobicContact CG1-CD1 4.38Å; I539-F586 HydrophobicContact CG1-CG 4.47Å; I539-F586 PolarHBondContact N-O 3.47Å; F586-I590 WeakPolarHBondContact CA-O 3.47Å; F586-I590 WeakPolarHBondContact CD2-O 3.34Å
587	I	95.8	Very high	96	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	129.5	173.8	-172	168.3	0	0	0	110.6	L506 L514 L535 S537 I584 G589 I590 L592 I603 V607	L506-I587 HydrophobicContact CD1-CD1 4.22Å; L506-I587 HydrophobicContact CG-CD1 4.42Å; L514-I587 HydrophobicContact CD1-CD1 4.48Å; L514-I587 HydrophobicContact CD1-CG2 4.1Å; L514-I587 HydrophobicContact CD2-CG2 3.5Å; L514-I587 HydrophobicContact CG-CG2 4.46Å; L535-I587 HydrophobicContact CD1-CD1 3.83Å; L535-I587 HydrophobicContact CD1-CG1 3.77Å; S537-I587 CarbonylContact O-C 3.51Å; S537-I587 WeakPolarHBondContact O-CA 3.45Å; I584-I587 HydrophobicContact CD1-CB 4.15Å; I584-I587 HydrophobicContact CD1-CD1 4.2Å; I587-G589 VanDerWaalsContact C-N 3.3Å; I587-G589 PolarHBondContact O-N 2.99Å; I587-G589 VanDerWaalsContact O-N 3.11Å; I587-I590 PolarHBondContact N-O 2.83Å; I587-I590 WeakPolarHBondContact O-CA 3.23Å; I587-I590 WeakPolarHBondContact O-CB 3.36Å; I587-I590 PolarHBondContact O-N 3.19Å; I587-L592 HydrophobicContact CG2-CD1 3.88Å; I587-L592 HydrophobicContact CG2-CG 4.34Å; I587-I603 HydrophobicContact CD1-CG2 4.44Å; I587-V607 HydrophobicContact CD1-CG1 4.21Å; I587-V607 HydrophobicContact CD1-CG2 3.89Å
588	N	93.6	Very high	96.1	Very high	31 Å²	31	22 Å²	22	17%	0.166	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.8	46.3	172.8	-68.5	2.5	0	0	0	114.9	K534 E536 S537 I590	K534-N588 PolarHBondContact O-ND2 3.05Å; E536-N588 WeakPolarHBondContact CA-OD1 3.34Å; E536-N588 PolarHBondContact N-OD1 2.93Å; S537-N588 PolarHBondContact N-OD1 3.25Å; S537-N588 PolarHBondContact O-N 3.37Å; S537-N588 PolarHBondContact O-OD1 2.89Å; N588-I590 VanDerWaalsContact C-N 3.33Å; N588-I590 PolarHBondContact O-N 3.28Å
589	G	91.1	Very high	96.2	Very high	49 Å²	49	24 Å²	24	51%	0.505	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	-8.9	-179.9	0	0	0	0	0	115.1	I587	I587-G589 VanDerWaalsContact C-N 3.3Å; I587-G589 PolarHBondContact O-N 2.99Å; I587-G589 VanDerWaalsContact O-N 3.11Å
590	I	93	Very high	96.2	Very high	3 Å²	3	24 Å²	24	2%	0.015	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	122.4	-176.8	-55.9	167.6	0	0	0	109.3	L514 I517 V518 I530 F586 I587 N588 L592	L514-I590 HydrophobicContact CB-CD1 4.08Å; L514-I590 HydrophobicContact CD2-CD1 4.07Å; L514-I590 HydrophobicContact CD2-CG2 4.45Å; I517-I590 HydrophobicContact CG2-CG2 3.94Å; V518-I590 HydrophobicContact CG2-CD1 3.57Å; V518-I590 HydrophobicContact CG2-CG1 3.94Å; I530-I590 HydrophobicContact CD1-CD1 4.01Å; I530-I590 HydrophobicContact CG1-CD1 4.08Å; F586-I590 WeakPolarHBondContact CA-O 3.47Å; F586-I590 WeakPolarHBondContact CD2-O 3.34Å; I587-I590 PolarHBondContact N-O 2.83Å; I587-I590 WeakPolarHBondContact O-CA 3.23Å; I587-I590 WeakPolarHBondContact O-CB 3.36Å; I587-I590 PolarHBondContact O-N 3.19Å; N588-I590 VanDerWaalsContact C-N 3.33Å; N588-I590 PolarHBondContact O-N 3.28Å; I590-L592 HydrophobicContact CG2-CD2 4.1Å
591	S	93.9	Very high	96.1	Very high	40 Å²	40	24.2 Å²	24.2	28%	0.28	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	128.4	171	178.3	0	0	0	0	109.9	I425	I425-S591 VanDerWaalsContact CD1-OG 3.27Å; I425-S591 WeakPolarHBondContact CD1-OG 3.31Å
592	L	95.9	Very high	96.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.146	C	C	.	.			trans	-106.1	-3.8	180	-60.1	178.1	0	0	0	113	L514 I517 I584 L585 I587 I590 E594 Q595 R600 I603	L514-L592 HydrophobicContact CD2-CD2 3.98Å; I517-L592 HydrophobicContact CD1-CD2 3.78Å; I584-L592 HydrophobicContact CD1-CD1 4.35Å; I584-L592 HydrophobicContact CG1-CD1 4.16Å; I584-L592 HydrophobicContact CG2-CD1 3.81Å; L585-L592 PolarHBondContact O-N 3.32Å; I587-L592 HydrophobicContact CG2-CD1 3.88Å; I587-L592 HydrophobicContact CG2-CG 4.34Å; I590-L592 HydrophobicContact CG2-CD2 4.1Å; L592-E594 PolarHBondContact O-N 3.43Å; L592-E594 VanDerWaalsContact O-N 3.09Å; L592-Q595 HydrophobicContact CD2-CG 4.35Å; L592-Q595 VanDerWaalsContact O-CB 3.27Å; L592-Q595 WeakPolarHBondContact O-CB 3.31Å; L592-Q595 PolarHBondContact O-N 2.97Å; L592-R600 HydrophobicContact CB-CG 4.03Å; L592-R600 VanDerWaalsContact O-CD 3.28Å; L592-R600 WeakPolarHBondContact O-CD 3.19Å; L592-I603 HydrophobicContact CD1-CD1 4.19Å; L592-I603 HydrophobicContact CD1-CG2 4.45Å; L592-I603 HydrophobicContact CD2-CD1 4.14Å
593	I	94.8	Very high	96.1	Very high	16 Å²	16	26.4 Å²	26.4	8%	0.082	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.1	-171.8	63.4	166.1	0	0	0	114.2	V400 I425 L585 Q595 T654 Y655 I657	V400-I593 HydrophobicContact CG1-CD1 3.99Å; I425-I593 HydrophobicContact CD1-CB 4.39Å; I425-I593 HydrophobicContact CD1-CD1 3.91Å; I425-I593 HydrophobicContact CD1-CG1 3.99Å; I425-I593 HydrophobicContact CD1-CG2 3.53Å; L585-I593 HydrophobicContact CB-CG2 4.15Å; I593-Q595 VanDerWaalsContact C-N 3.33Å; I593-T654 WeakPolarHBondContact O-CB 3.32Å; I593-Y655 HydrophobicContact CG2-CD1 4.4Å; I593-Y655 PolarHBondContact O-N 2.81Å; I593-I657 HydrophobicContact CD1-CD1 3.72Å
594	E	93.1	Very high	96.1	Very high	119 Å²	119	26.6 Å²	26.6	56%	0.556	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-5.9	177.9	-64.4	179.8	166.2	0	0	112.3	L592 T654	L592-E594 PolarHBondContact O-N 3.43Å; L592-E594 VanDerWaalsContact O-N 3.09Å; E594-T654 WeakPolarHBondContact O-CG2 3.32Å
595	Q	95.8	Very high	96	Very high	27 Å²	27	30.8 Å²	30.8	13%	0.126	16%	0.159	C	C	.	.	S	Bend	trans	-86.7	148.7	-179.6	-57.5	-58.5	-49.3	0	0	111.5	I517 N521 L592 I593 R600	I517-Q595 HydrophobicContact CD1-CG 3.99Å; I517-Q595 HydrophobicContact CG1-CG 4.16Å; I517-Q595 HydrophobicContact CG2-CG 4.16Å; N521-Q595 PolarHBondContact ND2-NE2 3.1Å; L592-Q595 HydrophobicContact CD2-CG 4.35Å; L592-Q595 VanDerWaalsContact O-CB 3.27Å; L592-Q595 WeakPolarHBondContact O-CB 3.31Å; L592-Q595 PolarHBondContact O-N 2.97Å; I593-Q595 VanDerWaalsContact C-N 3.33Å; Q595-R600 HydrophobicContact CB-CG 4.24Å; Q595-R600 PolarHBondContact O-NE 3.03Å; Q595-R600 VanDerWaalsContact O-NE 3.09Å
596	P	96.9	Very high	96	Very high	39 Å²	39	34.3 Å²	34.3	25%	0.253	18%	0.175	S	C	.	.			trans	-56.2	149.5	174.6	-26.7	35.5	0	0	0	113.5	R598 I599 R600 S653	P596-R598 PolarHBondContact O-N 3Å; P596-I599 PolarHBondContact O-N 2.95Å; P596-R600 PolarHBondContact O-N 3.03Å; P596-R600 VanDerWaalsContact O-N 3.14Å; P596-S653 WeakPolarHBondContact CA-OG 3.32Å; P596-S653 WeakPolarHBondContact CB-OG 3.46Å
597	L	98	Very high	96	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60	-35.1	179.7	177.7	62.3	0	0	0	111.9	T455 I599 R600 R601 K647 L649 S653	T455-L597 HydrophobicContact CG2-CD2 4.26Å; L597-I599 PolarHBondContact O-N 3.16Å; L597-R600 PolarHBondContact O-N 3.19Å; L597-R601 WeakPolarHBondContact O-CB 3.3Å; L597-R601 PolarHBondContact O-N 3.03Å; L597-K647 HydrophobicContact CD2-CB 3.44Å; L597-K647 VanDerWaalsContact CD2-CB 3.44Å; L597-K647 HydrophobicContact CD2-CD 3.67Å; L597-K647 HydrophobicContact CD2-CG 4.22Å; L597-L649 HydrophobicContact CD2-CD2 4.36Å; L597-L649 HydrophobicContact CG-CD2 4.43Å; L597-L649 PolarHBondContact N-O 3.38Å; L597-S653 PolarHBondContact N-O 3.38Å; L597-S653 PolarHBondContact N-OG 2.91Å; L597-S653 VanDerWaalsContact N-OG 3.16Å
598	R	97.7	Very high	96	Very high	90 Å²	90	34.1 Å²	34.1	34%	0.34	17%	0.174	S	C	.	.	H	α-helix	trans	-53.1	-52.4	175.8	-179.2	174.6	-77.4	160.3	-7	111.5	D453 P596 R601 E602 L649 D650	D453-R598 IonicContact OD2-CZ 3.31Å; D453-R598 IonicContact OD2-NH1 3.64Å; D453-R598 IonicContact OD2-NH2 2.78Å; D453-R598 PolarHBondContact OD2-NH2 2.65Å; P596-R598 PolarHBondContact O-N 3Å; R598-R601 PolarHBondContact O-N 3.36Å; R598-E602 WeakPolarHBondContact O-CB 3.44Å; R598-E602 PolarHBondContact O-N 2.93Å; R598-L649 HydrophobicContact CB-CB 4.38Å; R598-L649 PolarHBondContact N-O 3.02Å; R598-D650 WeakPolarHBondContact CD-OD1 3.44Å; R598-D650 IonicContact CZ-OD1 2.74Å; R598-D650 VanDerWaalsContact CZ-OD1 3.32Å; R598-D650 IonicContact CZ-OD2 3.32Å; R598-D650 IonicContact NE-OD1 3.94Å; R598-D650 PolarHBondContact NE-OD1 3.19Å; R598-D650 IonicContact NE-OD2 3.74Å; R598-D650 IonicContact NH1-OD1 3.86Å; R598-D650 PolarHBondContact NH1-OD1 3.18Å; R598-D650 IonicContact NH1-OD2 3.48Å; R598-D650 PolarHBondContact NH1-OD2 2.71Å; R598-D650 IonicContact NH2-OD2 2.86Å; R598-D650 PolarHBondContact NH2-OD2 2.71Å
599	I	97.5	Very high	96.1	Very high	41 Å²	41	33.7 Å²	33.7	21%	0.21	17%	0.173	C	C	.	.	H	α-helix	trans	-63.9	-45.9	179.8	-58.5	-58.4	0	0	0	111.1	L513 I517 P596 L597 R601 E602 I603	L513-I599 HydrophobicContact CD2-CD1 4.2Å; I517-I599 HydrophobicContact CD1-CG2 4.01Å; P596-I599 PolarHBondContact O-N 2.95Å; L597-I599 PolarHBondContact O-N 3.16Å; I599-R601 PolarHBondContact O-N 3.22Å; I599-E602 PolarHBondContact O-N 2.92Å; I599-I603 HydrophobicContact CG2-CD1 3.85Å; I599-I603 HydrophobicContact CG2-CG1 4.49Å; I599-I603 WeakPolarHBondContact O-CG1 3.41Å; I599-I603 PolarHBondContact O-N 3.44Å
600	R	98	Very high	96.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.7	-46.5	177.6	-69.4	-169.1	-81.8	143.4	0.1	112	D583 I584 L592 Q595 P596 L597 E602 I603 L604 S653	D583-R600 IonicContact OD1-CZ 3.57Å; D583-R600 IonicContact OD1-NE 3.46Å; D583-R600 IonicContact OD1-NH1 3.56Å; D583-R600 PolarHBondContact OD1-NH1 2.93Å; D583-R600 IonicContact OD2-CZ 2.72Å; D583-R600 IonicContact OD2-NH1 3Å; D583-R600 PolarHBondContact OD2-NH1 2.85Å; D583-R600 IonicContact OD2-NH2 3.78Å; I584-R600 HydrophobicContact CG2-CB 4.09Å; I584-R600 WeakPolarHBondContact CG2-O 3.38Å; I584-R600 WeakPolarHBondContact O-CD 3.42Å; L592-R600 HydrophobicContact CB-CG 4.03Å; L592-R600 VanDerWaalsContact O-CD 3.28Å; L592-R600 WeakPolarHBondContact O-CD 3.19Å; Q595-R600 HydrophobicContact CB-CG 4.24Å; Q595-R600 PolarHBondContact O-NE 3.03Å; Q595-R600 VanDerWaalsContact O-NE 3.09Å; P596-R600 PolarHBondContact O-N 3.03Å; P596-R600 VanDerWaalsContact O-N 3.14Å; L597-R600 PolarHBondContact O-N 3.19Å; R600-E602 VanDerWaalsContact C-N 3.33Å; R600-E602 PolarHBondContact O-N 2.97Å; R600-I603 PolarHBondContact O-N 2.86Å; R600-L604 WeakPolarHBondContact O-CB 3.45Å; R600-L604 PolarHBondContact O-N 2.88Å; R600-S653 PolarHBondContact NH2-O 3.31Å
601	R	97.6	Very high	96.4	Very high	20 Å²	20	40.6 Å²	40.6	8%	0.075	19%	0.186	C	C	.	.	H	α-helix	trans	-65.8	-36.6	179.5	-172.3	173.8	65.8	160	5.5	111.9	T455 L597 R598 I599 R605 D622	T455-R601 VanDerWaalsContact CB-NH1 3.3Å; T455-R601 PolarHBondContact OG1-NH1 2.98Å; L597-R601 WeakPolarHBondContact O-CB 3.3Å; L597-R601 PolarHBondContact O-N 3.03Å; R598-R601 PolarHBondContact O-N 3.36Å; I599-R601 PolarHBondContact O-N 3.22Å; R601-R605 WeakPolarHBondContact O-CB 3.42Å; R601-R605 VanDerWaalsContact O-CG 3.27Å; R601-R605 WeakPolarHBondContact O-CG 3.3Å; R601-R605 PolarHBondContact O-N 2.9Å; R601-D622 IonicContact CZ-OD1 3.61Å; R601-D622 IonicContact CZ-OD2 2.66Å; R601-D622 IonicContact NH1-OD1 2.87Å; R601-D622 PolarHBondContact NH1-OD1 2.67Å; R601-D622 IonicContact NH1-OD2 4Å; R601-D622 PolarHBondContact NH1-OD2 3.2Å; R601-D622 IonicContact NH2-OD1 3.68Å; R601-D622 PolarHBondContact NH2-OD1 3.14Å; R601-D622 IonicContact NH2-OD2 3.44Å; R601-D622 PolarHBondContact NH2-OD2 3.32Å
602	E	97.6	Very high	96.4	Very high	65 Å²	65	43.9 Å²	43.9	30%	0.304	21%	0.209	S	C	.	.	H	α-helix	trans	-65.6	-50.9	174.9	-172.9	166.6	-159.5	0	0	111.5	H509 L513 R598 I599 R600 L604 R605 E606	H509-E602 IonicContact CD2-OE1 2.72Å; H509-E602 IonicContact CE1-OE1 2.78Å; H509-E602 IonicContact NE2-OE1 3.72Å; H509-E602 PolarHBondContact NE2-OE1 2.83Å; L513-E602 HydrophobicContact CD1-CB 4.39Å; L513-E602 HydrophobicContact CD1-CG 3.94Å; R598-E602 WeakPolarHBondContact O-CB 3.44Å; R598-E602 PolarHBondContact O-N 2.93Å; I599-E602 PolarHBondContact O-N 2.92Å; R600-E602 VanDerWaalsContact C-N 3.33Å; R600-E602 PolarHBondContact O-N 2.97Å; E602-L604 VanDerWaalsContact C-N 3.28Å; E602-L604 PolarHBondContact O-N 3.09Å; E602-R605 PolarHBondContact O-N 2.71Å; E602-R605 VanDerWaalsContact O-N 3.08Å; E602-E606 WeakPolarHBondContact O-CG 3.43Å; E602-E606 PolarHBondContact O-N 2.72Å
603	I	97.8	Very high	96.3	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-55.3	-44.9	173.8	-67	166.6	0	0	0	110.6	L513 L514 I517 I584 I587 L592 I599 R600 R605 E606 V607	L513-I603 HydrophobicContact CB-CD1 4.37Å; L513-I603 HydrophobicContact CB-CG1 4.25Å; L513-I603 HydrophobicContact CD1-CG1 3.92Å; L514-I603 HydrophobicContact CD2-CD1 3.93Å; L514-I603 HydrophobicContact CG-CD1 4.36Å; I517-I603 HydrophobicContact CD1-CD1 4.02Å; I584-I603 HydrophobicContact CD1-CG2 4.19Å; I587-I603 HydrophobicContact CD1-CG2 4.44Å; L592-I603 HydrophobicContact CD1-CD1 4.19Å; L592-I603 HydrophobicContact CD1-CG2 4.45Å; L592-I603 HydrophobicContact CD2-CD1 4.14Å; I599-I603 HydrophobicContact CG2-CD1 3.85Å; I599-I603 HydrophobicContact CG2-CG1 4.49Å; I599-I603 WeakPolarHBondContact O-CG1 3.41Å; I599-I603 PolarHBondContact O-N 3.44Å; R600-I603 PolarHBondContact O-N 2.86Å; I603-R605 VanDerWaalsContact C-N 3.33Å; I603-R605 PolarHBondContact O-N 2.96Å; I603-E606 PolarHBondContact O-N 2.79Å; I603-V607 HydrophobicContact CG2-CG2 4.06Å; I603-V607 WeakPolarHBondContact O-CB 3.36Å; I603-V607 WeakPolarHBondContact O-CG2 3.42Å; I603-V607 PolarHBondContact O-N 3.46Å
604	L	97.5	Very high	96.3	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.016	21%	0.211	C	C	.	.	H	α-helix	trans	-58.5	-43.9	177.9	-179.6	71.3	0	0	0	112	I540 V581 I584 R600 E602 F608 M617	I540-L604 HydrophobicContact CG2-CD1 3.99Å; V581-L604 HydrophobicContact CB-CD1 4.4Å; V581-L604 HydrophobicContact CB-CD2 4.28Å; V581-L604 HydrophobicContact CG1-CD1 3.84Å; V581-L604 HydrophobicContact CG1-CD2 4.25Å; I584-L604 HydrophobicContact CB-CB 4.26Å; I584-L604 HydrophobicContact CB-CD1 4.05Å; I584-L604 HydrophobicContact CG2-CB 3.94Å; R600-L604 WeakPolarHBondContact O-CB 3.45Å; R600-L604 PolarHBondContact O-N 2.88Å; E602-L604 VanDerWaalsContact C-N 3.28Å; E602-L604 PolarHBondContact O-N 3.09Å; L604-F608 HydrophobicContact CD1-CD2 3.67Å; L604-F608 HydrophobicContact CD1-CE2 3.89Å; L604-F608 PolarHBondContact O-N 2.66Å; L604-M617 HydrophobicContact CD2-SD 3.92Å; L604-M617 HydrophobicContact CG-CE 4.12Å; L604-M617 HydrophobicContact CG-SD 3.91Å; L604-M617 WeakPolarHBondContact O-CE 3.35Å
605	R	97	Very high	96.5	Very high	89 Å²	89	38.6 Å²	38.6	34%	0.336	18%	0.184	S	C	.	.	H	α-helix	trans	-70.1	-35.3	-179.8	-74.8	173.2	179.8	-164.2	1.4	112.9	R601 E602 I603 S620	R601-R605 WeakPolarHBondContact O-CB 3.42Å; R601-R605 VanDerWaalsContact O-CG 3.27Å; R601-R605 WeakPolarHBondContact O-CG 3.3Å; R601-R605 PolarHBondContact O-N 2.9Å; E602-R605 PolarHBondContact O-N 2.71Å; E602-R605 VanDerWaalsContact O-N 3.08Å; I603-R605 VanDerWaalsContact C-N 3.33Å; I603-R605 PolarHBondContact O-N 2.96Å; R605-S620 PolarHBondContact NH2-OG 3Å
606	E	96.2	Very high	96.6	Very high	74 Å²	74	38.9 Å²	38.9	35%	0.346	19%	0.186	S	C	.	.	H	α-helix	trans	-72.6	-37.9	178.1	-75.5	-61.8	125.5	0	0	112.4	T507 A510 E602 I603	T507-E606 WeakPolarHBondContact CB-OE2 3.31Å; T507-E606 HydrophobicContact CG2-CB 4.41Å; T507-E606 VanDerWaalsContact CG2-O 3.31Å; T507-E606 WeakPolarHBondContact CG2-O 3.48Å; T507-E606 WeakPolarHBondContact CG2-OE2 3.42Å; T507-E606 PolarHBondContact OG1-OE2 3.36Å; A510-E606 HydrophobicContact CB-CB 4.04Å; E602-E606 WeakPolarHBondContact O-CG 3.43Å; E602-E606 PolarHBondContact O-N 2.72Å; I603-E606 PolarHBondContact O-N 2.79Å
607	V	96.4	Very high	96.6	Very high	2 Å²	2	38 Å²	38	1%	0.012	18%	0.179	C	C	.	.	H	α-helix	trans	-81.3	-37.8	-171.3	171.4	0	0	0	0	113	S504 K505 A510 L535 I587 I603	S504-V607 CarbonylContact C-O 3.52Å; S504-V607 WeakPolarHBondContact CA-O 3.06Å; S504-V607 WeakPolarHBondContact CB-O 3.37Å; K505-V607 PolarHBondContact N-O 3.11Å; K505-V607 VanDerWaalsContact N-O 3.14Å; K505-V607 WeakPolarHBondContact O-CA 3.36Å; A510-V607 HydrophobicContact CB-CG2 4.17Å; L535-V607 HydrophobicContact CD1-CG1 4.28Å; L535-V607 HydrophobicContact CD2-CG1 4.3Å; I587-V607 HydrophobicContact CD1-CG1 4.21Å; I587-V607 HydrophobicContact CD1-CG2 3.89Å; I603-V607 HydrophobicContact CG2-CG2 4.06Å; I603-V607 WeakPolarHBondContact O-CB 3.36Å; I603-V607 WeakPolarHBondContact O-CG2 3.42Å; I603-V607 PolarHBondContact O-N 3.46Å
608	F	96.5	Very high	96.6	Very high	8 Å²	8	38.4 Å²	38.4	4%	0.035	18%	0.182	C	C	.	.	S	Bend	trans	-108.5	139	-169.8	-66.3	-81.7	0	0	0	113.9	V500 S504 L535 I540 I584 L604 F615 M617	V500-F608 HydrophobicContact CG1-CD1 3.95Å; S504-F608 VanDerWaalsContact OG-CD1 3.3Å; S504-F608 WeakPolarHBondContact OG-CD1 3.49Å; L535-F608 HydrophobicContact CD2-CE1 3.76Å; L535-F608 HydrophobicContact CD2-CZ 3.91Å; I540-F608 HydrophobicContact CG2-CE2 3.79Å; I540-F608 HydrophobicContact CG2-CZ 3.91Å; I584-F608 HydrophobicContact CD1-CE2 4.21Å; L604-F608 HydrophobicContact CD1-CD2 3.67Å; L604-F608 HydrophobicContact CD1-CE2 3.89Å; L604-F608 PolarHBondContact O-N 2.66Å; F608-F615 HydrophobicContact CB-CE1 3.84Å; F608-F615 HydrophobicContact CB-CZ 4.42Å; F608-F615 HydrophobicContact CD1-CE1 4.23Å; F608-F615 HydrophobicContact CD1-CZ 4.05Å; F608-F615 HydrophobicContact CG-CE1 4.19Å; F608-F615 HydrophobicContact CG-CZ 4.28Å; F608-M617 HydrophobicContact CB-CE 3.85Å
609	P	95.3	Very high	96.6	Very high	23 Å²	23	36.9 Å²	36.9	15%	0.149	18%	0.183	C	C	.	.			trans	-69.9	166.5	171.5	35.2	-40.4	0	0	0	111.5	V500 E503 S504 F615	V500-P609 HydrophobicContact CG1-CG 4.12Å; E503-P609 HydrophobicContact CB-CB 4.1Å; E503-P609 HydrophobicContact CB-CG 3.81Å; E503-P609 WeakPolarHBondContact OE2-CB 3.48Å; S504-P609 WeakPolarHBondContact OG-CD 3.29Å; P609-F615 WeakPolarHBondContact O-CD1 3.4Å
610	R	95.4	Very high	96.6	Very high	166 Å²	166	36.6 Å²	36.6	63%	0.626	19%	0.185	S	C	*	.			trans	-112.1	123.9	171	-61	176.4	-166.8	154.4	5.7	109.3	F615 M617	R610-F615 WeakPolarHBondContact CA-O 3.37Å; R610-M617 HydrophobicContact CG-CG 4.36Å
611	I	95.3	Very high	96.6	Very high	30 Å²	30	38.6 Å²	38.6	15%	0.154	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-115	108	175	-53.1	179	0	0	0	107.1	L496 R499 V500 G613 E614 F615	L496-I611 HydrophobicContact CD1-CD1 4.41Å; R499-I611 HydrophobicContact CB-CD1 4.33Å; V500-I611 HydrophobicContact CG2-CD1 3.72Å; I611-G613 PolarHBondContact O-N 2.72Å; I611-E614 HydrophobicContact CB-CB 4.21Å; I611-E614 HydrophobicContact CG2-CB 3.86Å; I611-E614 HydrophobicContact CG2-CG 3.96Å; I611-E614 PolarHBondContact O-N 3.31Å; I611-F615 HydrophobicContact CB-CB 4.34Å; I611-F615 PolarHBondContact N-O 3.44Å; I611-F615 CarbonylContact O-C 3.43Å; I611-F615 PolarHBondContact O-N 3.06Å
612	S	94.3	Very high	96.5	Very high	109 Å²	109	41.5 Å²	41.5	76%	0.762	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54	127.3	-175.5	-172.2	0	0	0	0	111.6	E614	S612-E614 PolarHBondContact O-N 2.78Å
613	G	94.3	Very high	96.1	Very high	2 Å²	2	39.4 Å²	39.4	2%	0.021	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	7.7	-179.6	0	0	0	0	0	115.7	C578 I611 M616	C578-G613 WeakPolarHBondContact CB-O 3.45Å; C578-G613 VanDerWaalsContact SG-C 3.59Å; I611-G613 PolarHBondContact O-N 2.72Å; G613-M616 PolarHBondContact N-SD 2.78Å; G613-M616 VanDerWaalsContact N-SD 3.44Å
614	E	95.1	Very high	95.6	Very high	23 Å²	23	43.4 Å²	43.4	11%	0.107	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.1	-51.7	-179.7	-51.7	-161.4	-121	0	0	113.3	L496 R499 R549 I579 I611 S612	L496-E614 HydrophobicContact CD1-CB 3.75Å; L496-E614 WeakPolarHBondContact CD2-O 3.15Å; R499-E614 IonicContact CZ-OE1 3.31Å; R499-E614 IonicContact CZ-OE2 2.97Å; R499-E614 VanDerWaalsContact NH1-CD 3.32Å; R499-E614 IonicContact NH1-OE1 3.48Å; R499-E614 PolarHBondContact NH1-OE1 2.68Å; R499-E614 IonicContact NH1-OE2 3.54Å; R499-E614 PolarHBondContact NH1-OE2 2.93Å; R499-E614 IonicContact NH2-OE1 2.65Å; R499-E614 IonicContact NH2-OE2 3.91Å; R499-E614 PolarHBondContact NH2-OE2 3.39Å; R549-E614 VanDerWaalsContact CZ-CD 3.48Å; R549-E614 IonicContact CZ-OE1 2.8Å; R549-E614 IonicContact CZ-OE2 3.6Å; R549-E614 IonicContact NH1-OE1 2.81Å; R549-E614 PolarHBondContact NH1-OE1 3.32Å; R549-E614 VanDerWaalsContact NH1-OE1 3.14Å; R549-E614 IonicContact NH1-OE2 3.86Å; R549-E614 PolarHBondContact NH1-OE2 3.46Å; R549-E614 IonicContact NH2-OE2 2.72Å; R549-E614 PolarHBondContact NH2-OE2 3.23Å; I579-E614 PolarHBondContact N-O 2.99Å; I611-E614 HydrophobicContact CB-CB 4.21Å; I611-E614 HydrophobicContact CG2-CB 3.86Å; I611-E614 HydrophobicContact CG2-CG 3.96Å; I611-E614 PolarHBondContact O-N 3.31Å; S612-E614 PolarHBondContact O-N 2.78Å
615	F	97.2	Very high	95	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	99.8	-178.9	-169.3	-85.7	0	0	0	108.6	L496 V500 I540 I579 V581 F608 P609 R610 I611	L496-F615 HydrophobicContact CD1-CB 4.15Å; L496-F615 HydrophobicContact CD2-CB 4.4Å; L496-F615 HydrophobicContact CD2-CD2 4.38Å; V500-F615 HydrophobicContact CG1-CD1 4.22Å; V500-F615 HydrophobicContact CG1-CD2 4.41Å; V500-F615 HydrophobicContact CG1-CE1 4.04Å; V500-F615 HydrophobicContact CG1-CE2 4.22Å; V500-F615 HydrophobicContact CG1-CG 4.4Å; V500-F615 HydrophobicContact CG1-CZ 4.01Å; V500-F615 HydrophobicContact CG2-CB 3.91Å; V500-F615 HydrophobicContact CG2-CD1 4.24Å; V500-F615 HydrophobicContact CG2-CD2 3.98Å; V500-F615 HydrophobicContact CG2-CG 3.78Å; I540-F615 HydrophobicContact CD1-CE2 4.12Å; I540-F615 HydrophobicContact CD1-CZ 4.02Å; I579-F615 HydrophobicContact CB-CD2 4.2Å; I579-F615 HydrophobicContact CD1-CD2 4.34Å; I579-F615 HydrophobicContact CG2-CD2 4.34Å; I579-F615 HydrophobicContact CG2-CE2 4.43Å; V581-F615 HydrophobicContact CG2-CD1 4.2Å; V581-F615 HydrophobicContact CG2-CD2 4.38Å; V581-F615 HydrophobicContact CG2-CE1 3.55Å; V581-F615 HydrophobicContact CG2-CE2 3.79Å; V581-F615 HydrophobicContact CG2-CZ 3.35Å; F608-F615 HydrophobicContact CB-CE1 3.84Å; F608-F615 HydrophobicContact CB-CZ 4.42Å; F608-F615 HydrophobicContact CD1-CE1 4.23Å; F608-F615 HydrophobicContact CD1-CZ 4.05Å; F608-F615 HydrophobicContact CG-CE1 4.19Å; F608-F615 HydrophobicContact CG-CZ 4.28Å; P609-F615 WeakPolarHBondContact O-CD1 3.4Å; R610-F615 WeakPolarHBondContact CA-O 3.37Å; I611-F615 HydrophobicContact CB-CB 4.34Å; I611-F615 PolarHBondContact N-O 3.44Å; I611-F615 CarbonylContact O-C 3.43Å; I611-F615 PolarHBondContact O-N 3.06Å
616	M	97.2	Very high	94.3	Very high	32 Å²	32	44 Å²	44	16%	0.158	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	156.8	-173	-60.1	-162.3	-72.4	0	0	110.3	W547 C578 I579 Y580 V581 G613	W547-M616 HydrophobicContact CH2-CE 3.83Å; W547-M616 HydrophobicContact CZ2-CE 4.26Å; W547-M616 HydrophobicContact CZ3-CE 3.99Å; C578-M616 WeakPolarHBondContact SG-CE 3.5Å; I579-M616 PolarHBondContact O-N 3.47Å; Y580-M616 CarbonylContact C-O 3.59Å; Y580-M616 VanDerWaalsContact CA-O 3.29Å; Y580-M616 WeakPolarHBondContact CA-O 3.18Å; Y580-M616 HydrophobicContact CD1-CB 4.02Å; Y580-M616 HydrophobicContact CE1-CB 3.97Å; Y580-M616 HydrophobicContact CE1-CE 3.57Å; Y580-M616 HydrophobicContact CE2-CE 4.21Å; Y580-M616 WeakPolarHBondContact OH-CE 3.45Å; V581-M616 PolarHBondContact N-O 3.02Å; G613-M616 PolarHBondContact N-SD 2.78Å; G613-M616 VanDerWaalsContact N-SD 3.44Å
617	M	97.7	Very high	93.6	Very high	21 Å²	21	45.9 Å²	45.9	10%	0.103	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	151.4	169.5	-61.6	-61.9	168.6	0	0	109	V581 L604 F608 R610 T619	V581-M617 HydrophobicContact CB-SD 4.3Å; L604-M617 HydrophobicContact CD2-SD 3.92Å; L604-M617 HydrophobicContact CG-CE 4.12Å; L604-M617 HydrophobicContact CG-SD 3.91Å; L604-M617 WeakPolarHBondContact O-CE 3.35Å; F608-M617 HydrophobicContact CB-CE 3.85Å; R610-M617 HydrophobicContact CG-CG 4.36Å; M617-T619 PolarHBondContact O-N 2.99Å
618	A	97.8	Very high	93.2	Very high	8 Å²	8	50.7 Å²	50.7	7%	0.066	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-56.4	123.7	169.8	0	0	0	0	0	110.5	E457 Y460 V581 F582 S620	E457-A618 HydrophobicContact CB-CB 4.47Å; E457-A618 HydrophobicContact CG-CB 4.34Å; Y460-A618 HydrophobicContact CE2-CB 3.92Å; Y460-A618 WeakPolarHBondContact OH-CA 3.16Å; V581-A618 PolarHBondContact O-N 3.39Å; F582-A618 HydrophobicContact CB-CB 3.82Å; A618-S620 PolarHBondContact O-N 3.26Å
619	T	97.7	Very high	92.8	Very high	58 Å²	58	50.3 Å²	50.3	36%	0.356	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-54	123.8	168.3	-51.5	0	0	0	0	109.2	E457 Y458 Y460 M617 F632	E457-T619 CarbonylContact C-O 3.53Å; E457-T619 VanDerWaalsContact CA-O 3.28Å; E457-T619 WeakPolarHBondContact CA-O 3.18Å; Y458-T619 HydrophobicContact CD1-CG2 4.33Å; Y458-T619 HydrophobicContact CD2-CG2 4.19Å; Y458-T619 HydrophobicContact CE1-CG2 4.08Å; Y458-T619 HydrophobicContact CE2-CG2 3.9Å; Y458-T619 HydrophobicContact CG-CG2 4.39Å; Y458-T619 PolarHBondContact N-O 2.85Å; Y460-T619 PolarHBondContact OH-N 2.98Å; Y460-T619 PolarHBondContact OH-OG1 2.94Å; M617-T619 PolarHBondContact O-N 2.99Å; T619-F632 HydrophobicContact CG2-CE2 3.97Å; T619-F632 HydrophobicContact CG2-CZ 4.04Å
620	S	97.8	Very high	92.3	Very high	36 Å²	36	50.8 Å²	50.8	25%	0.252	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	145.6	-170.9	67.6	0	0	0	0	112.1	C456 R605 A618	C456-S620 CarbonylContact O-C 3.44Å; C456-S620 WeakPolarHBondContact O-CA 3.31Å; R605-S620 PolarHBondContact NH2-OG 3Å; A618-S620 PolarHBondContact O-N 3.26Å
621	L	97	Very high	92	Very high	42 Å²	42	46.6 Å²	46.6	22%	0.22	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	122.2	169.7	173.9	66.8	0	0	0	108.7	C456 E628 F632	C456-L621 HydrophobicContact CB-CB 4.44Å; C456-L621 PolarHBondContact N-O 3.14Å; C456-L621 PolarHBondContact O-N 2.93Å; L621-E628 HydrophobicContact CD2-CB 4.16Å; L621-F632 HydrophobicContact CB-CD1 3.89Å; L621-F632 HydrophobicContact CB-CD2 4Å; L621-F632 HydrophobicContact CB-CE1 3.89Å; L621-F632 HydrophobicContact CB-CE2 3.99Å; L621-F632 HydrophobicContact CB-CG 3.95Å; L621-F632 HydrophobicContact CB-CZ 3.93Å; L621-F632 HydrophobicContact CD2-CB 3.7Å; L621-F632 HydrophobicContact CD2-CD1 4.27Å; L621-F632 HydrophobicContact CD2-CD2 4.34Å; L621-F632 HydrophobicContact CD2-CG 3.87Å
622	D	96	Very high	92	Very high	81 Å²	81	46 Å²	46	43%	0.433	27%	0.272	S	S	.	.			trans	-98	92	172.8	-64.3	-3.2	0	0	0	107.5	T455 R601	T455-D622 WeakPolarHBondContact CB-OD1 3.24Å; T455-D622 PolarHBondContact OG1-OD1 3.19Å; R601-D622 IonicContact CZ-OD1 3.61Å; R601-D622 IonicContact CZ-OD2 2.66Å; R601-D622 IonicContact NH1-OD1 2.87Å; R601-D622 PolarHBondContact NH1-OD1 2.67Å; R601-D622 IonicContact NH1-OD2 4Å; R601-D622 PolarHBondContact NH1-OD2 3.2Å; R601-D622 IonicContact NH2-OD1 3.68Å; R601-D622 PolarHBondContact NH2-OD1 3.14Å; R601-D622 IonicContact NH2-OD2 3.44Å; R601-D622 PolarHBondContact NH2-OD2 3.32Å
623	S	89.4	Confident	91.9	Very high	20 Å²	20	41 Å²	41	14%	0.14	24%	0.237	C	C	.	.			trans	-153.2	146.6	-178.8	-176.2	0	0	0	0	110.5	F454 D625 E628	F454-S623 WeakPolarHBondContact CE2-O 3.4Å; F454-S623 WeakPolarHBondContact CZ-O 3.31Å; S623-D625 PolarHBondContact OG-N 3.36Å; S623-D625 VanDerWaalsContact OG-N 3.11Å; S623-E628 WeakPolarHBondContact CB-OE2 3.17Å; S623-E628 PolarHBondContact OG-OE2 2.73Å
624	S	85.7	Confident	91.6	Very high	85 Å²	85	45 Å²	45	59%	0.594	26%	0.258	S	S	*	.			trans	-105.1	2.6	170.3	56.1	0	0	0	0	112.8	L446	L446-S624 WeakPolarHBondContact CD2-O 3.22Å
625	D	85.3	Confident	91.6	Very high	69 Å²	69	48.6 Å²	48.6	37%	0.369	28%	0.275	S	S	.	.			trans	-76.8	129	178	-177.8	-95.3	0	0	0	111.3	S623 D627 E628 I629	S623-D625 PolarHBondContact OG-N 3.36Å; S623-D625 VanDerWaalsContact OG-N 3.11Å; D625-D627 VanDerWaalsContact C-N 3.33Å; D625-D627 PolarHBondContact O-N 2.93Å; D625-D627 WeakPolarHBondContact OD1-CA 3.41Å; D625-D627 WeakPolarHBondContact OD1-CB 3.25Å; D625-D627 PolarHBondContact OD1-N 2.87Å; D625-E628 HydrophobicContact CB-CB 4.11Å; D625-E628 HydrophobicContact CB-CG 4.06Å; D625-E628 PolarHBondContact OD1-N 3.1Å; D625-I629 WeakPolarHBondContact O-CB 3.42Å; D625-I629 WeakPolarHBondContact O-CD1 3.37Å; D625-I629 WeakPolarHBondContact O-CG1 3.13Å; D625-I629 PolarHBondContact O-N 2.94Å; D625-I629 VanDerWaalsContact O-N 3.08Å
626	T	82.1	Confident	91.4	Very high	36 Å²	36	48.6 Å²	48.6	22%	0.221	28%	0.275	C	S	.	.	H	α-helix	trans	-66	-35.4	-175.7	48.7	0	0	0	0	113	I442 Y443 L446 A630	I442-T626 HydrophobicContact CG2-CG2 4.03Å; Y443-T626 HydrophobicContact CE1-CG2 4.43Å; L446-T626 HydrophobicContact CD1-CG2 3.27Å; L446-T626 HydrophobicContact CG-CG2 4.39Å; T626-A630 VanDerWaalsContact O-CB 3.3Å; T626-A630 WeakPolarHBondContact O-CB 3.42Å; T626-A630 PolarHBondContact O-N 3Å
627	D	81.6	Confident	91	Very high	113 Å²	113	48.5 Å²	48.5	60%	0.604	27%	0.274	S	S	*	.	H	α-helix	trans	-78.4	-38.7	-173.8	-64.8	-16.4	0	0	0	110.3	D625 A630 T631	D625-D627 VanDerWaalsContact C-N 3.33Å; D625-D627 PolarHBondContact O-N 2.93Å; D625-D627 WeakPolarHBondContact OD1-CA 3.41Å; D625-D627 WeakPolarHBondContact OD1-CB 3.25Å; D625-D627 PolarHBondContact OD1-N 2.87Å; D627-A630 PolarHBondContact O-N 2.81Å; D627-T631 WeakPolarHBondContact O-CB 3.27Å; D627-T631 PolarHBondContact O-N 2.85Å; D627-T631 PolarHBondContact O-OG1 2.99Å
628	E	88.3	Confident	90.5	Very high	102 Å²	102	53.7 Å²	53.7	48%	0.477	30%	0.296	S	S	.	.	H	α-helix	trans	-61.3	-45.4	169.8	-68.9	-175.7	176.1	0	0	111.3	L621 S623 D625 A630 T631 F632	L621-E628 HydrophobicContact CD2-CB 4.16Å; S623-E628 WeakPolarHBondContact CB-OE2 3.17Å; S623-E628 PolarHBondContact OG-OE2 2.73Å; D625-E628 HydrophobicContact CB-CB 4.11Å; D625-E628 HydrophobicContact CB-CG 4.06Å; D625-E628 PolarHBondContact OD1-N 3.1Å; E628-A630 PolarHBondContact O-N 3.25Å; E628-T631 PolarHBondContact O-N 2.84Å; E628-F632 VanDerWaalsContact O-CB 3.28Å; E628-F632 WeakPolarHBondContact O-CB 3.49Å; E628-F632 PolarHBondContact O-N 2.65Å
629	I	88.6	Confident	90.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-64	-41	177.5	-66	165.9	0	0	0	111.2	I442 L446 F454 D625 F632 L633 L644	I442-I629 HydrophobicContact CD1-CB 4.49Å; I442-I629 HydrophobicContact CD1-CG2 3.99Å; I442-I629 HydrophobicContact CG1-CG2 4.04Å; I442-I629 HydrophobicContact CG2-CB 4.25Å; I442-I629 HydrophobicContact CG2-CD1 4.37Å; I442-I629 HydrophobicContact CG2-CG2 3.99Å; L446-I629 HydrophobicContact CD2-CD1 4.46Å; F454-I629 HydrophobicContact CE2-CD1 3.97Å; F454-I629 HydrophobicContact CZ-CD1 4Å; D625-I629 WeakPolarHBondContact O-CB 3.42Å; D625-I629 WeakPolarHBondContact O-CD1 3.37Å; D625-I629 WeakPolarHBondContact O-CG1 3.13Å; D625-I629 PolarHBondContact O-N 2.94Å; D625-I629 VanDerWaalsContact O-N 3.08Å; I629-F632 PolarHBondContact O-N 3.49Å; I629-L633 WeakPolarHBondContact O-CB 3.35Å; I629-L633 PolarHBondContact O-N 2.94Å; I629-L644 HydrophobicContact CG2-CD1 4.11Å
630	A	85.2	Confident	89.7	Confident	33 Å²	33	52.2 Å²	52.2	27%	0.273	29%	0.292	S	S	.	.	H	α-helix	trans	-63.6	-45.8	177.4	0	0	0	0	0	111.4	I442 T626 D627 E628 F632 L633 D634	I442-A630 HydrophobicContact CD1-CB 3.7Å; T626-A630 VanDerWaalsContact O-CB 3.3Å; T626-A630 WeakPolarHBondContact O-CB 3.42Å; T626-A630 PolarHBondContact O-N 3Å; D627-A630 PolarHBondContact O-N 2.81Å; E628-A630 PolarHBondContact O-N 3.25Å; A630-F632 VanDerWaalsContact C-N 3.32Å; A630-F632 PolarHBondContact O-N 2.65Å; A630-L633 WeakPolarHBondContact O-CB 3.48Å; A630-L633 PolarHBondContact O-N 3.27Å; A630-D634 PolarHBondContact O-N 3.12Å
631	T	89.1	Confident	89.5	Confident	78 Å²	78	50.6 Å²	50.6	48%	0.479	28%	0.281	S	S	.	.	H	α-helix	trans	-59.7	-45	175.5	-56.5	0	0	0	0	110.9	D627 E628 L633 D634 E635	D627-T631 WeakPolarHBondContact O-CB 3.27Å; D627-T631 PolarHBondContact O-N 2.85Å; D627-T631 PolarHBondContact O-OG1 2.99Å; E628-T631 PolarHBondContact O-N 2.84Å; T631-L633 VanDerWaalsContact C-N 3.35Å; T631-L633 PolarHBondContact O-N 3.32Å; T631-D634 PolarHBondContact O-N 2.68Å; T631-E635 WeakPolarHBondContact O-CG 3.44Å; T631-E635 PolarHBondContact O-N 3.37Å
632	F	95.3	Very high	89.1	Confident	17 Å²	17	49.7 Å²	49.7	8%	0.075	28%	0.276	C	S	.	.	H	α-helix	trans	-65.6	-35.4	178.9	-170.4	-113.3	0	0	0	113.2	C456 Y458 T619 L621 E628 I629 A630 A636 L644	C456-F632 HydrophobicContact CB-CD1 4.01Å; C456-F632 HydrophobicContact CB-CE1 4.01Å; C456-F632 VanDerWaalsContact O-CE1 3.27Å; C456-F632 WeakPolarHBondContact O-CE1 3.33Å; Y458-F632 HydrophobicContact CD1-CD1 4.37Å; Y458-F632 AromaticContact CD1-CE1 3.63Å; Y458-F632 HydrophobicContact CD1-CE1 3.63Å; Y458-F632 HydrophobicContact CD1-CE2 4.02Å; Y458-F632 AromaticContact CD1-CZ 3.43Å; Y458-F632 HydrophobicContact CD1-CZ 3.43Å; Y458-F632 VanDerWaalsContact CD1-CZ 3.43Å; Y458-F632 HydrophobicContact CE1-CD1 4.11Å; Y458-F632 AromaticContact CE1-CD2 3.79Å; Y458-F632 HydrophobicContact CE1-CD2 3.79Å; Y458-F632 AromaticContact CE1-CE1 3.65Å; Y458-F632 HydrophobicContact CE1-CE1 3.65Å; Y458-F632 AromaticContact CE1-CE2 3.31Å; Y458-F632 HydrophobicContact CE1-CE2 3.31Å; Y458-F632 HydrophobicContact CE1-CG 4.17Å; Y458-F632 AromaticContact CE1-CZ 3.23Å; Y458-F632 HydrophobicContact CE1-CZ 3.23Å; T619-F632 HydrophobicContact CG2-CE2 3.97Å; T619-F632 HydrophobicContact CG2-CZ 4.04Å; L621-F632 HydrophobicContact CB-CD1 3.89Å; L621-F632 HydrophobicContact CB-CD2 4Å; L621-F632 HydrophobicContact CB-CE1 3.89Å; L621-F632 HydrophobicContact CB-CE2 3.99Å; L621-F632 HydrophobicContact CB-CG 3.95Å; L621-F632 HydrophobicContact CB-CZ 3.93Å; L621-F632 HydrophobicContact CD2-CB 3.7Å; L621-F632 HydrophobicContact CD2-CD1 4.27Å; L621-F632 HydrophobicContact CD2-CD2 4.34Å; L621-F632 HydrophobicContact CD2-CG 3.87Å; E628-F632 VanDerWaalsContact O-CB 3.28Å; E628-F632 WeakPolarHBondContact O-CB 3.49Å; E628-F632 PolarHBondContact O-N 2.65Å; I629-F632 PolarHBondContact O-N 3.49Å; A630-F632 VanDerWaalsContact C-N 3.32Å; A630-F632 PolarHBondContact O-N 2.65Å; F632-A636 WeakPolarHBondContact O-CB 3.47Å; F632-A636 PolarHBondContact O-N 3.16Å; F632-L644 HydrophobicContact CD1-CD1 4.01Å; F632-L644 HydrophobicContact CD1-CD2 3.48Å; F632-L644 VanDerWaalsContact CD1-CD2 3.48Å; F632-L644 HydrophobicContact CD1-CG 4.4Å; F632-L644 HydrophobicContact CE1-CD2 3.58Å
633	L	91.6	Very high	89	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.026	26%	0.255	C	S	.	.	H	α-helix	trans	-64	-45.2	172.6	175.6	61.7	0	0	0	111.4	I629 A630 T631 A636 I637 L644 L667 L672	I629-L633 WeakPolarHBondContact O-CB 3.35Å; I629-L633 PolarHBondContact O-N 2.94Å; A630-L633 WeakPolarHBondContact O-CB 3.48Å; A630-L633 PolarHBondContact O-N 3.27Å; T631-L633 VanDerWaalsContact C-N 3.35Å; T631-L633 PolarHBondContact O-N 3.32Å; L633-A636 WeakPolarHBondContact O-CB 3.48Å; L633-A636 PolarHBondContact O-N 3.25Å; L633-I637 HydrophobicContact CD1-CD1 4Å; L633-I637 HydrophobicContact CD1-CG1 4.38Å; L633-I637 HydrophobicContact CG-CD1 4.05Å; L633-I637 WeakPolarHBondContact O-CG1 3.14Å; L633-I637 PolarHBondContact O-N 2.97Å; L633-L644 HydrophobicContact CB-CD1 3.76Å; L633-L644 HydrophobicContact CB-CG 4.17Å; L633-L644 HydrophobicContact CD1-CD1 4.19Å; L633-L644 HydrophobicContact CD1-CG 3.8Å; L633-L667 HydrophobicContact CD1-CD2 4.38Å; L633-L667 HydrophobicContact CD2-CD2 3.69Å; L633-L667 HydrophobicContact CD2-CG 4.41Å; L633-L672 HydrophobicContact CD2-CD1 3.82Å; L633-L672 HydrophobicContact CD2-CD2 4.06Å
634	D	88.4	Confident	89.3	Confident	87 Å²	87	44.9 Å²	44.9	47%	0.465	25%	0.249	S	C	.	.	H	α-helix	trans	-63.2	-41.5	177.7	-78.2	-11.4	0	0	0	111.8	A630 T631 I637 K638	A630-D634 PolarHBondContact O-N 3.12Å; T631-D634 PolarHBondContact O-N 2.68Å; D634-I637 PolarHBondContact O-N 2.99Å; D634-K638 WeakPolarHBondContact O-CB 3.19Å; D634-K638 VanDerWaalsContact O-CG 3.29Å; D634-K638 WeakPolarHBondContact O-CG 3.24Å; D634-K638 PolarHBondContact O-N 3.39Å
635	E	93.8	Very high	89.9	Confident	98 Å²	98	42.3 Å²	42.3	46%	0.458	23%	0.228	S	C	.	.	H	α-helix	trans	-61.1	-43.9	173.3	-71.9	177.8	173.1	0	0	112	Y458 T631 I637 K638 G639	Y458-E635 WeakPolarHBondContact OH-CB 3.28Å; T631-E635 WeakPolarHBondContact O-CG 3.44Å; T631-E635 PolarHBondContact O-N 3.37Å; E635-I637 VanDerWaalsContact C-N 3.34Å; E635-I637 PolarHBondContact O-N 2.99Å; E635-K638 PolarHBondContact O-N 2.94Å; E635-G639 PolarHBondContact O-N 2.9Å
636	A	94.1	Very high	90.4	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.2	-46.1	176.7	0	0	0	0	0	111.3	Y458 F632 L633 G639 N640 C641 L644	Y458-A636 HydrophobicContact CD1-CB 3.52Å; Y458-A636 HydrophobicContact CD2-CB 4.33Å; Y458-A636 HydrophobicContact CE1-CB 3.51Å; Y458-A636 HydrophobicContact CE2-CB 4.34Å; Y458-A636 HydrophobicContact CG-CB 3.95Å; F632-A636 WeakPolarHBondContact O-CB 3.47Å; F632-A636 PolarHBondContact O-N 3.16Å; L633-A636 WeakPolarHBondContact O-CB 3.48Å; L633-A636 PolarHBondContact O-N 3.25Å; A636-G639 CarbonylContact O-C 3.6Å; A636-G639 WeakPolarHBondContact O-CA 3.34Å; A636-G639 PolarHBondContact O-N 2.88Å; A636-N640 PolarHBondContact O-N 2.81Å; A636-C641 HydrophobicContact CB-CB 4.17Å; A636-C641 WeakPolarHBondContact O-CB 3.48Å; A636-C641 PolarHBondContact O-N 2.89Å; A636-L644 HydrophobicContact CB-CD2 4.03Å
637	I	88.4	Confident	91.1	Very high	30 Å²	30	37.4 Å²	37.4	15%	0.154	20%	0.2	C	C	.	.	H	α-helix	trans	-65.2	-46	-179.9	-67.4	168.2	0	0	0	110.8	L633 D634 E635 G639 N640 K669 L672	L633-I637 HydrophobicContact CD1-CD1 4Å; L633-I637 HydrophobicContact CD1-CG1 4.38Å; L633-I637 HydrophobicContact CG-CD1 4.05Å; L633-I637 WeakPolarHBondContact O-CG1 3.14Å; L633-I637 PolarHBondContact O-N 2.97Å; D634-I637 PolarHBondContact O-N 2.99Å; E635-I637 VanDerWaalsContact C-N 3.34Å; E635-I637 PolarHBondContact O-N 2.99Å; I637-G639 PolarHBondContact O-N 2.86Å; I637-N640 PolarHBondContact O-N 3.5Å; I637-N640 VanDerWaalsContact O-N 3.09Å; I637-K669 HydrophobicContact CD1-CB 3.82Å; I637-K669 HydrophobicContact CG1-CB 4.18Å; I637-L672 HydrophobicContact CD1-CD1 4.28Å
638	K	87.8	Confident	91.8	Very high	129 Å²	129	32.3 Å²	32.3	56%	0.561	17%	0.173	S	C	*	.	H	α-helix	trans	-60	-34.6	174.1	-73.3	170.8	-175.9	167.6	0	111.9	D634 E635 N640 N827	D634-K638 WeakPolarHBondContact O-CB 3.19Å; D634-K638 VanDerWaalsContact O-CG 3.29Å; D634-K638 WeakPolarHBondContact O-CG 3.24Å; D634-K638 PolarHBondContact O-N 3.39Å; E635-K638 PolarHBondContact O-N 2.94Å; K638-N640 PolarHBondContact O-N 2.59Å; K638-N827 PolarHBondContact O-ND2 3.48Å
639	G	89.7	Confident	92.2	Very high	31 Å²	31	27.6 Å²	27.6	32%	0.32	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	17.9	174.2	0	0	0	0	0	115.3	E635 A636 I637 C641	E635-G639 PolarHBondContact O-N 2.9Å; A636-G639 CarbonylContact O-C 3.6Å; A636-G639 WeakPolarHBondContact O-CA 3.34Å; A636-G639 PolarHBondContact O-N 2.88Å; I637-G639 PolarHBondContact O-N 2.86Å; G639-C641 VanDerWaalsContact C-N 3.28Å; G639-C641 PolarHBondContact O-N 3.47Å
640	N	89	Confident	92.5	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.021	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	64	19.5	-180	-59.4	-33.1	0	0	0	115.6	I554 A636 I637 K638 Q824 N827	I554-N640 HydrophobicContact CB-CB 4.43Å; I554-N640 PolarHBondContact O-ND2 2.92Å; A636-N640 PolarHBondContact O-N 2.81Å; I637-N640 PolarHBondContact O-N 3.5Å; I637-N640 VanDerWaalsContact O-N 3.09Å; K638-N640 PolarHBondContact O-N 2.59Å; N640-Q824 HydrophobicContact CB-CG 4.18Å; N640-Q824 WeakPolarHBondContact OD1-CA 3.27Å; N640-Q824 WeakPolarHBondContact OD1-CG 3.3Å; N640-N827 PolarHBondContact OD1-ND2 2.58Å
641	C	92.4	Very high	92.7	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.014	18%	0.177	C	C	.	.			trans	-84.8	162.3	172.7	-60	0	0	0	0	112	K459 A636 G639 G643	K459-C641 WeakPolarHBondContact O-CB 3.45Å; A636-C641 HydrophobicContact CB-CB 4.17Å; A636-C641 WeakPolarHBondContact O-CB 3.48Å; A636-C641 PolarHBondContact O-N 2.89Å; G639-C641 VanDerWaalsContact C-N 3.28Å; G639-C641 PolarHBondContact O-N 3.47Å; C641-G643 VanDerWaalsContact C-N 3.32Å
642	E	89.5	Confident	92.7	Very high	24 Å²	24	37.9 Å²	37.9	11%	0.112	19%	0.188	C	C	.	.			trans	-79.3	-11.9	178.9	-63.2	-158.2	141.4	0	0	113.8	K459 D461 K668 K669	K459-E642 HydrophobicContact CD-CB 4.15Å; K459-E642 HydrophobicContact CG-CB 4.32Å; K459-E642 IonicContact NZ-OE2 3.71Å; K459-E642 PolarHBondContact NZ-OE2 2.89Å; K459-E642 PolarHBondContact O-N 3.14Å; D461-E642 HydrophobicContact CB-CG 3.58Å; E642-K668 WeakPolarHBondContact O-CA 3.18Å; E642-K668 IonicContact OE1-NZ 2.71Å; E642-K668 VanDerWaalsContact OE2-CE 3.32Å; E642-K668 WeakPolarHBondContact OE2-CE 3.41Å; E642-K668 IonicContact OE2-NZ 3.62Å; E642-K668 PolarHBondContact OE2-NZ 3.08Å; E642-K669 PolarHBondContact O-N 3.01Å
643	G	93.6	Very high	92.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	143.3	-138.6	-176.1	0	0	0	0	0	111.8	K459 C641 L667	K459-G643 VanDerWaalsContact CB-C 3.46Å; K459-G643 VanDerWaalsContact CB-O 3.29Å; K459-G643 WeakPolarHBondContact CB-O 3.47Å; K459-G643 PolarHBondContact N-O 3.42Å; C641-G643 VanDerWaalsContact C-N 3.32Å; G643-L667 CarbonylContact C-O 3.4Å; G643-L667 WeakPolarHBondContact CA-O 3.44Å
644	L	96.5	Very high	92.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	145.7	-178.5	-61.4	179.3	0	0	0	113	C456 E457 Y458 I629 F632 L633 A636 I646 L667	C456-L644 HydrophobicContact CB-CD1 4.33Å; E457-L644 CarbonylContact O-C 3.59Å; E457-L644 WeakPolarHBondContact O-CA 3.4Å; Y458-L644 HydrophobicContact CD1-CD2 3.95Å; Y458-L644 HydrophobicContact CE1-CD2 4.48Å; I629-L644 HydrophobicContact CG2-CD1 4.11Å; F632-L644 HydrophobicContact CD1-CD1 4.01Å; F632-L644 HydrophobicContact CD1-CD2 3.48Å; F632-L644 VanDerWaalsContact CD1-CD2 3.48Å; F632-L644 HydrophobicContact CD1-CG 4.4Å; F632-L644 HydrophobicContact CE1-CD2 3.58Å; L633-L644 HydrophobicContact CB-CD1 3.76Å; L633-L644 HydrophobicContact CB-CG 4.17Å; L633-L644 HydrophobicContact CD1-CD1 4.19Å; L633-L644 HydrophobicContact CD1-CG 3.8Å; A636-L644 HydrophobicContact CB-CD2 4.03Å; L644-I646 HydrophobicContact CB-CD1 4.19Å; L644-L667 PolarHBondContact N-O 2.99Å; L644-L667 PolarHBondContact O-N 2.83Å
645	M	97.3	Very high	93.2	Very high	31 Å²	31	35.9 Å²	35.9	15%	0.153	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	130	162.8	-64.4	-61.9	-60.1	0	0	107.5	A436 C456 E457 K459 W664 L665 K666	A436-M645 HydrophobicContact CB-CE 3.54Å; C456-M645 CarbonylContact C-O 3.53Å; C456-M645 WeakPolarHBondContact CA-O 3.25Å; E457-M645 HydrophobicContact CB-CB 4.33Å; E457-M645 PolarHBondContact N-O 2.81Å; E457-M645 PolarHBondContact O-N 3.28Å; K459-M645 HydrophobicContact CB-CG 3.86Å; K459-M645 HydrophobicContact CB-SD 4.22Å; K459-M645 HydrophobicContact CD-SD 3.88Å; K459-M645 HydrophobicContact CG-CG 3.91Å; K459-M645 HydrophobicContact CG-SD 3.71Å; M645-W664 HydrophobicContact CE-CE3 4.28Å; M645-L665 WeakPolarHBondContact CA-O 3.3Å; M645-K666 HydrophobicContact CE-CB 4.47Å; M645-K666 HydrophobicContact SD-CB 3.84Å
646	I	96.1	Very high	93.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	126.4	179.6	-49.5	89.5	0	0	0	108.5	T439 I445 F449 F454 T455 L644 W664 L665 L667	T439-I646 HydrophobicContact CG2-CD1 4.44Å; I445-I646 HydrophobicContact CD1-CD1 3.5Å; I445-I646 VanDerWaalsContact CD1-CD1 3.5Å; I445-I646 HydrophobicContact CD1-CG1 3.84Å; I445-I646 HydrophobicContact CG1-CD1 4.28Å; I445-I646 HydrophobicContact CG2-CB 4.34Å; I445-I646 HydrophobicContact CG2-CG1 4.33Å; I445-I646 HydrophobicContact CG2-CG2 3.76Å; F449-I646 HydrophobicContact CD2-CG2 3.96Å; F449-I646 HydrophobicContact CE2-CB 4.22Å; F449-I646 HydrophobicContact CE2-CG2 3.6Å; F454-I646 HydrophobicContact CB-CG2 4.33Å; F454-I646 HydrophobicContact CD2-CG2 3.43Å; F454-I646 VanDerWaalsContact CD2-CG2 3.43Å; F454-I646 HydrophobicContact CE2-CG2 3.97Å; F454-I646 HydrophobicContact CG-CG2 4.08Å; T455-I646 CarbonylContact O-C 3.54Å; T455-I646 WeakPolarHBondContact O-CA 3.48Å; L644-I646 HydrophobicContact CB-CD1 4.19Å; I646-W664 CarbonylContact O-C 3.58Å; I646-W664 WeakPolarHBondContact O-CA 3.37Å; I646-L665 HydrophobicContact CB-CB 4.31Å; I646-L665 HydrophobicContact CD1-CB 4.34Å; I646-L665 PolarHBondContact N-O 3.24Å; I646-L665 PolarHBondContact O-N 3.04Å; I646-L667 HydrophobicContact CD1-CB 3.84Å
647	K	96.7	Very high	92.9	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.009	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	129.4	-170.8	-53.5	175.8	176.5	171.5	0	110.4	F454 T455 E457 L597 S663 W664	F454-K647 CarbonylContact C-O 3.52Å; F454-K647 VanDerWaalsContact CA-O 3.23Å; F454-K647 WeakPolarHBondContact CA-O 3.32Å; F454-K647 WeakPolarHBondContact CB-O 3.38Å; T455-K647 HydrophobicContact CG2-CB 4.01Å; T455-K647 PolarHBondContact N-O 3.14Å; T455-K647 PolarHBondContact O-N 3.07Å; E457-K647 IonicContact OE1-NZ 3Å; E457-K647 PolarHBondContact OE1-NZ 2.71Å; E457-K647 VanDerWaalsContact OE2-CE 3.28Å; E457-K647 WeakPolarHBondContact OE2-CE 3.21Å; E457-K647 IonicContact OE2-NZ 3.27Å; E457-K647 PolarHBondContact OE2-NZ 3.28Å; L597-K647 HydrophobicContact CD2-CB 3.44Å; L597-K647 VanDerWaalsContact CD2-CB 3.44Å; L597-K647 HydrophobicContact CD2-CD 3.67Å; L597-K647 HydrophobicContact CD2-CG 4.22Å; K647-S663 WeakPolarHBondContact CA-O 3.46Å; K647-W664 HydrophobicContact CD-CD2 4.22Å; K647-W664 HydrophobicContact CD-CZ2 3.89Å; K647-W664 HydrophobicContact CG-CD2 4.1Å; K647-W664 HydrophobicContact CG-CG 3.97Å
648	T	96	Very high	92.7	Very high	6 Å²	6	34.4 Å²	34.4	4%	0.037	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	143.1	171.1	65.5	0	0	0	0	110.4	F449 R651 S653 S663	F449-T648 HydrophobicContact CD1-CG2 3.86Å; F449-T648 HydrophobicContact CD2-CG2 4.18Å; F449-T648 HydrophobicContact CE1-CG2 3.71Å; F449-T648 HydrophobicContact CE2-CG2 4Å; F449-T648 HydrophobicContact CG-CG2 4.11Å; F449-T648 HydrophobicContact CZ-CG2 3.76Å; T648-R651 WeakPolarHBondContact CB-O 3.48Å; T648-R651 PolarHBondContact OG1-O 3.11Å; T648-S653 WeakPolarHBondContact O-CB 3.47Å; T648-S663 PolarHBondContact N-O 3.22Å; T648-S663 WeakPolarHBondContact OG1-CB 3.43Å
649	L	96.2	Very high	92.6	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.016	18%	0.178	C	C	.	.	S	Bend	trans	-91.7	-39.4	-174.1	-75.1	174.9	0	0	0	113.4	D453 T455 L597 R598 S653	D453-L649 HydrophobicContact CB-CB 4.22Å; D453-L649 HydrophobicContact CB-CD1 4.28Å; D453-L649 PolarHBondContact O-N 3.12Å; T455-L649 HydrophobicContact CG2-CD2 3.86Å; T455-L649 HydrophobicContact CG2-CG 4.47Å; L597-L649 HydrophobicContact CD2-CD2 4.36Å; L597-L649 HydrophobicContact CG-CD2 4.43Å; L597-L649 PolarHBondContact N-O 3.38Å; R598-L649 HydrophobicContact CB-CB 4.38Å; R598-L649 PolarHBondContact N-O 3.02Å; L649-S653 PolarHBondContact O-OG 3.27Å; L649-S653 VanDerWaalsContact O-OG 3.05Å
650	D	94.9	Very high	92.6	Very high	54 Å²	54	37.3 Å²	37.3	29%	0.289	18%	0.179	S	C	.	.	S	Bend	trans	-121.6	-64.4	-172.4	-51.8	-79.8	0	0	0	111.6	R598 N652 S653	R598-D650 WeakPolarHBondContact CD-OD1 3.44Å; R598-D650 IonicContact CZ-OD1 2.74Å; R598-D650 VanDerWaalsContact CZ-OD1 3.32Å; R598-D650 IonicContact CZ-OD2 3.32Å; R598-D650 IonicContact NE-OD1 3.94Å; R598-D650 PolarHBondContact NE-OD1 3.19Å; R598-D650 IonicContact NE-OD2 3.74Å; R598-D650 IonicContact NH1-OD1 3.86Å; R598-D650 PolarHBondContact NH1-OD1 3.18Å; R598-D650 IonicContact NH1-OD2 3.48Å; R598-D650 PolarHBondContact NH1-OD2 2.71Å; R598-D650 IonicContact NH2-OD2 2.86Å; R598-D650 PolarHBondContact NH2-OD2 2.71Å; D650-N652 PolarHBondContact O-N 2.88Å; D650-S653 VanDerWaalsContact C-OG 3.27Å; D650-S653 WeakPolarHBondContact CA-OG 3.32Å; D650-S653 WeakPolarHBondContact O-CB 3.42Å; D650-S653 PolarHBondContact O-OG 3.45Å
651	R	90.6	Very high	92.6	Very high	142 Å²	142	37.2 Å²	37.2	54%	0.536	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	130.1	-178.3	-66.5	-178.3	178.1	-179	0.1	111.5	E451 T648 S653	E451-R651 PolarHBondContact O-NH1 3.47Å; E451-R651 IonicContact OE2-NH1 3.45Å; T648-R651 WeakPolarHBondContact CB-O 3.48Å; T648-R651 PolarHBondContact OG1-O 3.11Å; R651-S653 PolarHBondContact O-N 2.99Å; R651-S653 VanDerWaalsContact O-N 3.09Å
652	N	89.7	Confident	92.3	Very high	131 Å²	131	42.4 Å²	42.4	70%	0.701	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	33.1	179.9	-63.7	-39.4	0	0	0	113.7	D650 S663	D650-N652 PolarHBondContact O-N 2.88Å; N652-S663 WeakPolarHBondContact O-CB 3.49Å; N652-S663 PolarHBondContact O-OG 3.11Å
653	S	94.3	Very high	92.4	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.021	20%	0.201	C	C	.	.			trans	-101.2	16.5	-169.3	67.3	0	0	0	0	114.5	P596 L597 R600 T648 L649 D650 R651	P596-S653 WeakPolarHBondContact CA-OG 3.32Å; P596-S653 WeakPolarHBondContact CB-OG 3.46Å; L597-S653 PolarHBondContact N-O 3.38Å; L597-S653 PolarHBondContact N-OG 2.91Å; L597-S653 VanDerWaalsContact N-OG 3.16Å; R600-S653 PolarHBondContact NH2-O 3.31Å; T648-S653 WeakPolarHBondContact O-CB 3.47Å; L649-S653 PolarHBondContact O-OG 3.27Å; L649-S653 VanDerWaalsContact O-OG 3.05Å; D650-S653 VanDerWaalsContact C-OG 3.27Å; D650-S653 WeakPolarHBondContact CA-OG 3.32Å; D650-S653 WeakPolarHBondContact O-CB 3.42Å; D650-S653 PolarHBondContact O-OG 3.45Å; R651-S653 PolarHBondContact O-N 2.99Å; R651-S653 VanDerWaalsContact O-N 3.09Å
654	T	94.4	Very high	92.5	Very high	57 Å²	57	42 Å²	42	35%	0.35	20%	0.202	S	C	.	.	S	Bend	trans	-65.5	160	174.5	66.2	0	0	0	0	111.8	I593 E594 E656	I593-T654 WeakPolarHBondContact O-CB 3.32Å; E594-T654 WeakPolarHBondContact O-CG2 3.32Å; T654-E656 PolarHBondContact O-N 2.93Å
655	Y	95.5	Very high	92.4	Very high	7 Å²	7	42.3 Å²	42.3	3%	0.027	20%	0.204	C	C	.	.			trans	-81.8	102.7	174.6	-163.3	-91.5	0	0	0	111.2	P433 M434 R464 D541 D583 L585 I593 I657 W664	P433-Y655 VanDerWaalsContact CA-OH 3.27Å; P433-Y655 WeakPolarHBondContact CA-OH 3.41Å; M434-Y655 HydrophobicContact CB-CD1 4.26Å; M434-Y655 HydrophobicContact CB-CD2 4.11Å; M434-Y655 HydrophobicContact CB-CE1 3.91Å; M434-Y655 HydrophobicContact CB-CE2 3.79Å; M434-Y655 HydrophobicContact CB-CG 4.37Å; M434-Y655 PolarHBondContact N-OH 3.26Å; M434-Y655 VanDerWaalsContact N-OH 3.12Å; M434-Y655 HydrophobicContact SD-CD2 4.19Å; M434-Y655 HydrophobicContact SD-CG 4.45Å; R464-Y655 PolarHBondContact NH2-OH 3.14Å; D541-Y655 PolarHBondContact OD2-OH 2.93Å; D583-Y655 WeakPolarHBondContact OD2-CD2 3.28Å; L585-Y655 HydrophobicContact CD1-CD1 4.48Å; L585-Y655 HydrophobicContact CD1-CE1 4.02Å; L585-Y655 HydrophobicContact CD1-CE2 4.34Å; L585-Y655 HydrophobicContact CD2-CD1 4.06Å; L585-Y655 HydrophobicContact CD2-CD2 3.38Å; L585-Y655 HydrophobicContact CD2-CE1 4.19Å; L585-Y655 HydrophobicContact CD2-CE2 3.49Å; L585-Y655 VanDerWaalsContact CD2-CE2 3.49Å; L585-Y655 HydrophobicContact CD2-CG 3.64Å; I593-Y655 HydrophobicContact CG2-CD1 4.4Å; I593-Y655 PolarHBondContact O-N 2.81Å; Y655-I657 HydrophobicContact CD1-CG1 3.85Å; Y655-I657 HydrophobicContact CE1-CG1 4.16Å; Y655-I657 PolarHBondContact O-N 3.26Å; Y655-I657 VanDerWaalsContact O-N 3.16Å; Y655-W664 HydrophobicContact CE2-CH2 4.21Å
656	E	92.3	Very high	92.3	Very high	49 Å²	49	42.7 Å²	42.7	23%	0.229	21%	0.205	C	C	.	.			trans	-85.6	90.1	-179.7	-65.5	-175.2	-123.3	0	0	112.6	M434 T654 A658 K659 S661	M434-E656 HydrophobicContact CE-CB 4.16Å; M434-E656 HydrophobicContact CE-CG 4.29Å; M434-E656 HydrophobicContact CG-CB 4.26Å; M434-E656 HydrophobicContact SD-CB 4.36Å; M434-E656 PolarHBondContact SD-N 2.91Å; M434-E656 VanDerWaalsContact SD-N 3.42Å; T654-E656 PolarHBondContact O-N 2.93Å; E656-A658 PolarHBondContact O-N 3.01Å; E656-K659 HydrophobicContact CB-CB 4.01Å; E656-K659 HydrophobicContact CB-CD 4.22Å; E656-K659 PolarHBondContact O-N 3.32Å; E656-K659 VanDerWaalsContact OE2-CD 3.32Å; E656-K659 WeakPolarHBondContact OE2-CD 3.48Å; E656-S661 WeakPolarHBondContact OE1-CB 3.48Å; E656-S661 PolarHBondContact OE1-OG 2.81Å
657	I	89.6	Confident	92.1	Very high	15 Å²	15	42.7 Å²	42.7	8%	0.077	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	130.9	-178.7	-59.6	163.9	0	0	0	111.9	C399 V400 L431 K432 I593 Y655 K659	C399-I657 HydrophobicContact CB-CB 4.11Å; C399-I657 HydrophobicContact CB-CG2 3.71Å; C399-I657 WeakPolarHBondContact O-CG2 3.19Å; V400-I657 HydrophobicContact CB-CD1 4.45Å; V400-I657 HydrophobicContact CG1-CD1 3.77Å; L431-I657 HydrophobicContact CB-CG2 4.48Å; L431-I657 HydrophobicContact CD2-CD1 3.55Å; L431-I657 HydrophobicContact CD2-CG1 4.12Å; K432-I657 HydrophobicContact CB-CG2 4.33Å; K432-I657 WeakPolarHBondContact O-CG2 3.46Å; I593-I657 HydrophobicContact CD1-CD1 3.72Å; Y655-I657 HydrophobicContact CD1-CG1 3.85Å; Y655-I657 HydrophobicContact CE1-CG1 4.16Å; Y655-I657 PolarHBondContact O-N 3.26Å; Y655-I657 VanDerWaalsContact O-N 3.16Å; I657-K659 PolarHBondContact O-N 3.32Å
658	A	84.6	Confident	91.7	Very high	33 Å²	33	43.8 Å²	43.8	27%	0.273	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	6.2	177.7	0	0	0	0	0	116.1	K432 E656	K432-A658 HydrophobicContact CB-CB 3.64Å; K432-A658 HydrophobicContact CD-CB 3.78Å; K432-A658 HydrophobicContact CG-CB 4.34Å; K432-A658 PolarHBondContact O-N 3.45Å; E656-A658 PolarHBondContact O-N 3.01Å
659	K	86.6	Confident	91	Very high	126 Å²	126	44.7 Å²	44.7	55%	0.548	21%	0.213	S	C	.	.	S	Bend	trans	-100.3	148.9	179.7	-68.2	-177.9	178.5	178.7	0	110.9	L435 E656 I657 S661	L435-K659 WeakPolarHBondContact CB-O 3.37Å; L435-K659 PolarHBondContact N-O 2.96Å; E656-K659 HydrophobicContact CB-CB 4.01Å; E656-K659 HydrophobicContact CB-CD 4.22Å; E656-K659 PolarHBondContact O-N 3.32Å; E656-K659 VanDerWaalsContact OE2-CD 3.32Å; E656-K659 WeakPolarHBondContact OE2-CD 3.48Å; I657-K659 PolarHBondContact O-N 3.32Å; K659-S661 PolarHBondContact O-N 2.61Å
660	R	88.5	Confident	89.7	Confident	95 Å²	95	46.3 Å²	46.3	36%	0.358	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	104.1	162.4	-176.8	176.1	-64.1	-163.5	-2	106.8	D50 D51 L435 S437	D50-R660 PolarHBondContact O-NH2 2.7Å; D51-R660 IonicContact OD1-CZ 2.71Å; D51-R660 IonicContact OD1-NH2 3.47Å; D51-R660 PolarHBondContact OD1-NH2 2.93Å; L435-R660 HydrophobicContact CB-CB 4.35Å; L435-R660 CarbonylContact O-C 3.39Å; L435-R660 WeakPolarHBondContact O-CA 3.46Å; S437-R660 WeakPolarHBondContact OG-CG 3.48Å
661	S	89.1	Confident	88.5	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.014	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	151.3	-176.8	-177.9	0	0	0	0	110.6	M434 L435 S437 E656 K659 S663 W664	M434-S661 VanDerWaalsContact CE-OG 3.25Å; M434-S661 WeakPolarHBondContact CE-OG 3.5Å; L435-S661 PolarHBondContact O-N 2.89Å; S437-S661 PolarHBondContact N-O 3.06Å; S437-S661 PolarHBondContact OG-O 3.42Å; E656-S661 WeakPolarHBondContact OE1-CB 3.48Å; E656-S661 PolarHBondContact OE1-OG 2.81Å; K659-S661 PolarHBondContact O-N 2.61Å; S661-S663 WeakPolarHBondContact OG-CB 3.49Å; S661-S663 PolarHBondContact OG-N 3.49Å; S661-W664 VanDerWaalsContact O-O 3.13Å
662	H	86.8	Confident	87.4	Confident	110 Å²	110	41 Å²	41	51%	0.509	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	-14.8	169.1	-68.9	-68.7	0	0	0	112.5	R448 F449 W664	R448-H662 VanDerWaalsContact NH2-CB 3.31Å; R448-H662 PolarHBondContact NH2-ND1 2.85Å; F449-H662 VanDerWaalsContact CE1-O 3.31Å; F449-H662 WeakPolarHBondContact CE1-O 3.4Å; H662-W664 VanDerWaalsContact C-N 3.26Å
663	S	92.1	Very high	86	Confident	12 Å²	12	44.1 Å²	44.1	8%	0.084	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	-14.3	175.5	-52.6	0	0	0	0	112.7	K647 T648 N652 S661	K647-S663 WeakPolarHBondContact CA-O 3.46Å; T648-S663 PolarHBondContact N-O 3.22Å; T648-S663 WeakPolarHBondContact OG1-CB 3.43Å; N652-S663 WeakPolarHBondContact O-CB 3.49Å; N652-S663 PolarHBondContact O-OG 3.11Å; S661-S663 WeakPolarHBondContact OG-CB 3.49Å; S661-S663 PolarHBondContact OG-N 3.49Å
664	W	94.6	Very high	84.2	Confident	4 Å²	4	48.1 Å²	48.1	2%	0.015	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	116.6	170.7	-78.9	23.9	0	0	0	109.7	M434 A436 S437 F582 M645 I646 K647 Y655 S661 H662	M434-W664 HydrophobicContact CB-CZ3 4.38Å; M434-W664 HydrophobicContact CE-CB 4.41Å; M434-W664 HydrophobicContact CE-CD2 4.16Å; M434-W664 HydrophobicContact CE-CG 3.82Å; M434-W664 HydrophobicContact CG-CD2 4.27Å; M434-W664 HydrophobicContact CG-CE3 4.28Å; M434-W664 HydrophobicContact SD-CD2 3.87Å; M434-W664 HydrophobicContact SD-CE3 4.39Å; M434-W664 HydrophobicContact SD-CG 4.19Å; M434-W664 HydrophobicContact SD-CZ2 4.04Å; A436-W664 CarbonylContact C-O 3.44Å; A436-W664 WeakPolarHBondContact CA-O 3.48Å; A436-W664 HydrophobicContact CB-CB 3.86Å; A436-W664 WeakPolarHBondContact CB-O 3.39Å; S437-W664 PolarHBondContact N-O 3.32Å; F582-W664 HydrophobicContact CD2-CH2 4.18Å; F582-W664 AromaticContact CE2-CH2 3.86Å; F582-W664 HydrophobicContact CE2-CH2 3.86Å; F582-W664 HydrophobicContact CE2-CZ3 4.31Å; M645-W664 HydrophobicContact CE-CE3 4.28Å; I646-W664 CarbonylContact O-C 3.58Å; I646-W664 WeakPolarHBondContact O-CA 3.37Å; K647-W664 HydrophobicContact CD-CD2 4.22Å; K647-W664 HydrophobicContact CD-CZ2 3.89Å; K647-W664 HydrophobicContact CG-CD2 4.1Å; K647-W664 HydrophobicContact CG-CG 3.97Å; Y655-W664 HydrophobicContact CE2-CH2 4.21Å; S661-W664 VanDerWaalsContact O-O 3.13Å; H662-W664 VanDerWaalsContact C-N 3.26Å
665	L	94.8	Very high	82.3	Confident	7 Å²	7	48.2 Å²	48.2	4%	0.037	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	154.2	172	-54.7	179.1	0	0	0	110.6	S437 T439 I445 R448 F449 M645 I646	S437-L665 CarbonylContact O-C 3.55Å; S437-L665 VanDerWaalsContact O-CA 3.22Å; S437-L665 WeakPolarHBondContact O-CA 3.33Å; T439-L665 HydrophobicContact CG2-CB 3.91Å; T439-L665 HydrophobicContact CG2-CD1 4.42Å; I445-L665 HydrophobicContact CG1-CD1 4.19Å; R448-L665 HydrophobicContact CB-CD1 4.33Å; R448-L665 HydrophobicContact CG-CD1 4.25Å; F449-L665 HydrophobicContact CE1-CD1 4.08Å; F449-L665 HydrophobicContact CE1-CG 4.24Å; F449-L665 HydrophobicContact CE2-CD1 4.08Å; F449-L665 HydrophobicContact CE2-CG 4.27Å; F449-L665 HydrophobicContact CZ-CD1 3.75Å; F449-L665 HydrophobicContact CZ-CG 3.67Å; M645-L665 WeakPolarHBondContact CA-O 3.3Å; I646-L665 HydrophobicContact CB-CB 4.31Å; I646-L665 HydrophobicContact CD1-CB 4.34Å; I646-L665 PolarHBondContact N-O 3.24Å; I646-L665 PolarHBondContact O-N 3.04Å
666	K	94.7	Very high	80.7	Confident	39 Å²	39	49.4 Å²	49.4	17%	0.17	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	116.5	170.7	66.7	-169.3	179.8	-169.6	0	109.3	A436 S437 T439 K459 M645	A436-K666 HydrophobicContact CB-CB 4.12Å; A436-K666 HydrophobicContact CB-CD 4.39Å; A436-K666 HydrophobicContact CB-CG 4.4Å; S437-K666 PolarHBondContact O-N 3.11Å; T439-K666 PolarHBondContact N-O 2.82Å; T439-K666 VanDerWaalsContact N-O 3.14Å; K459-K666 HydrophobicContact CD-CB 4.38Å; M645-K666 HydrophobicContact CE-CB 4.47Å; M645-K666 HydrophobicContact SD-CB 3.84Å
667	L	92.3	Very high	79.7	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	111.1	171	-178.6	62.3	0	0	0	107.4	T439 I442 I445 L633 G643 L644 I646 L672	T439-L667 HydrophobicContact CG2-CB 3.9Å; T439-L667 HydrophobicContact CG2-CD1 4.29Å; I442-L667 HydrophobicContact CG1-CD2 4.04Å; I445-L667 HydrophobicContact CD1-CB 4.31Å; I445-L667 HydrophobicContact CD1-CD2 4.01Å; L633-L667 HydrophobicContact CD1-CD2 4.38Å; L633-L667 HydrophobicContact CD2-CD2 3.69Å; L633-L667 HydrophobicContact CD2-CG 4.41Å; G643-L667 CarbonylContact C-O 3.4Å; G643-L667 WeakPolarHBondContact CA-O 3.44Å; L644-L667 PolarHBondContact N-O 2.99Å; L644-L667 PolarHBondContact O-N 2.83Å; I646-L667 HydrophobicContact CD1-CB 3.84Å; L667-L672 HydrophobicContact CD1-CD2 4.06Å
668	K	88	Confident	79.7	Confident	25 Å²	25	53.1 Å²	53.1	11%	0.109	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	149.5	177.9	-72.4	-177.6	155.8	-120.6	0	110	K459 E642 D670 Y671	K459-K668 HydrophobicContact CD-CG 4.18Å; E642-K668 WeakPolarHBondContact O-CA 3.18Å; E642-K668 IonicContact OE1-NZ 2.71Å; E642-K668 VanDerWaalsContact OE2-CE 3.32Å; E642-K668 WeakPolarHBondContact OE2-CE 3.41Å; E642-K668 IonicContact OE2-NZ 3.62Å; E642-K668 PolarHBondContact OE2-NZ 3.08Å; K668-D670 HydrophobicContact CB-CB 4.46Å; K668-D670 PolarHBondContact O-N 2.84Å; K668-D670 VanDerWaalsContact O-N 3.14Å; K668-Y671 HydrophobicContact CB-CD2 3.73Å; K668-Y671 HydrophobicContact CB-CE2 3.82Å; K668-Y671 HydrophobicContact CB-CG 4.21Å; K668-Y671 HydrophobicContact CD-CE2 4.03Å; K668-Y671 HydrophobicContact CG-CD2 4.33Å; K668-Y671 HydrophobicContact CG-CE2 3.93Å; K668-Y671 WeakPolarHBondContact O-CB 3.3Å; K668-Y671 PolarHBondContact O-N 3.02Å
669	K	80.9	Confident	80.2	Confident	25 Å²	25	51.6 Å²	51.6	11%	0.109	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-51.1	-36.1	169.6	68.4	176.8	-176.5	171.6	0	112.6	I637 E642 Y671 L672 V675 D770	I637-K669 HydrophobicContact CD1-CB 3.82Å; I637-K669 HydrophobicContact CG1-CB 4.18Å; E642-K669 PolarHBondContact O-N 3.01Å; K669-Y671 PolarHBondContact O-N 2.88Å; K669-Y671 VanDerWaalsContact O-N 3.17Å; K669-L672 PolarHBondContact O-N 2.68Å; K669-V675 HydrophobicContact CB-CG1 4.21Å; K669-D770 WeakPolarHBondContact CE-OD2 3.47Å; K669-D770 IonicContact NZ-OD1 2.68Å; K669-D770 PolarHBondContact NZ-OD1 3.01Å; K669-D770 IonicContact NZ-OD2 3.6Å; K669-D770 PolarHBondContact NZ-OD2 3.24Å
670	D	70.2	Confident	80.8	Confident	36 Å²	36	46.2 Å²	46.2	19%	0.193	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-62.4	-23.9	-179.7	-47.8	-25.1	0	0	0	114.1	K668 K767 A769	K668-D670 HydrophobicContact CB-CB 4.46Å; K668-D670 PolarHBondContact O-N 2.84Å; K668-D670 VanDerWaalsContact O-N 3.14Å; D670-K767 PolarHBondContact O-NZ 3.38Å; D670-A769 VanDerWaalsContact CG-CB 3.46Å; D670-A769 VanDerWaalsContact OD1-CA 3.3Å; D670-A769 WeakPolarHBondContact OD1-CA 3.44Å; D670-A769 WeakPolarHBondContact OD1-CB 3.31Å; D670-A769 WeakPolarHBondContact OD2-CB 3.44Å
671	Y	69.2	Low	81.2	Confident	54 Å²	54	41.7 Å²	41.7	21%	0.212	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-88.3	-17.4	-177.6	-58.5	-32.2	0	0	0	113	P438 T439 H440 K668 K669	P438-Y671 HydrophobicContact CB-CE2 3.88Å; T439-Y671 WeakPolarHBondContact O-CD2 3.41Å; H440-Y671 AromaticContact CE1-CD1 3.99Å; H440-Y671 AromaticContact ND1-CD1 3.98Å; H440-Y671 AromaticContact ND1-CG 3.85Å; K668-Y671 HydrophobicContact CB-CD2 3.73Å; K668-Y671 HydrophobicContact CB-CE2 3.82Å; K668-Y671 HydrophobicContact CB-CG 4.21Å; K668-Y671 HydrophobicContact CD-CE2 4.03Å; K668-Y671 HydrophobicContact CG-CD2 4.33Å; K668-Y671 HydrophobicContact CG-CE2 3.93Å; K668-Y671 WeakPolarHBondContact O-CB 3.3Å; K668-Y671 PolarHBondContact O-N 3.02Å; K669-Y671 PolarHBondContact O-N 2.88Å; K669-Y671 VanDerWaalsContact O-N 3.17Å
672	L	67.2	Low	81.7	Confident	31 Å²	31	41.6 Å²	41.6	16%	0.162	24%	0.237	C	C	.	.	S	Bend	trans	-70.7	133.9	178.4	-55.9	172.1	0	0	0	109.4	L633 I637 L667 K669 V675	L633-L672 HydrophobicContact CD2-CD1 3.82Å; L633-L672 HydrophobicContact CD2-CD2 4.06Å; I637-L672 HydrophobicContact CD1-CD1 4.28Å; L667-L672 HydrophobicContact CD1-CD2 4.06Å; K669-L672 PolarHBondContact O-N 2.68Å; L672-V675 HydrophobicContact CB-CB 4.02Å; L672-V675 HydrophobicContact CB-CG2 3.89Å; L672-V675 HydrophobicContact CD1-CG2 4.19Å; L672-V675 PolarHBondContact O-N 2.81Å
673	E	59.5	Low	82.3	Confident	196 Å²	196	36.3 Å²	36.3	92%	0.916	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	133.9	170.8	-68.4	-175	169.5	0	0	109.4	V675	E673-V675 VanDerWaalsContact C-N 3.3Å; E673-V675 PolarHBondContact O-N 2.81Å
674	G	56.8	Low	82.6	Confident	88 Å²	88	35.8 Å²	35.8	91%	0.907	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.7	-6.4	-176.8	0	0	0	0	0	115.8
675	V	54.2	Low	82.7	Confident	58 Å²	58	35.6 Å²	35.6	35%	0.352	21%	0.208	S	C	.	.			trans	-108.2	120.4	175.2	-173.9	0	0	0	0	110.2	K669 L672 E673 K767	K669-V675 HydrophobicContact CB-CG1 4.21Å; L672-V675 HydrophobicContact CB-CB 4.02Å; L672-V675 HydrophobicContact CB-CG2 3.89Å; L672-V675 HydrophobicContact CD1-CG2 4.19Å; L672-V675 PolarHBondContact O-N 2.81Å; E673-V675 VanDerWaalsContact C-N 3.3Å; E673-V675 PolarHBondContact O-N 2.81Å; V675-K767 PolarHBondContact O-NZ 3.26Å
676	G	62.5	Low	82.8	Confident	32 Å²	32	35.2 Å²	35.2	33%	0.33	21%	0.207	S	C	.	.	S	Bend	trans	103.8	115.8	-177.4	0	0	0	0	0	112.4
677	D	71.7	Confident	82.8	Confident	83 Å²	83	34.4 Å²	34.4	44%	0.444	20%	0.203	S	C	.	.			trans	-67.6	140.1	178.8	-55.8	-68.9	0	0	0	111.4	L818	D677-L818 HydrophobicContact CB-CD1 3.78Å; D677-L818 HydrophobicContact CB-CD2 3.88Å; D677-L818 HydrophobicContact CB-CG 4.38Å; D677-L818 WeakPolarHBondContact OD2-CD2 3.48Å
678	T	89.6	Confident	82.8	Confident	59 Å²	59	39.6 Å²	39.6	36%	0.362	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	141.6	164.2	61.4	0	0	0	0	109.4	E765 V766 K767	T678-E765 WeakPolarHBondContact CB-OE1 3.47Å; T678-E765 HydrophobicContact CG2-CG 4.27Å; T678-E765 WeakPolarHBondContact CG2-OE1 3.42Å; T678-E765 PolarHBondContact OG1-OE1 2.85Å; T678-V766 WeakPolarHBondContact CA-O 3.32Å; T678-K767 HydrophobicContact CG2-CB 4.11Å; T678-K767 HydrophobicContact CG2-CG 4.19Å
679	L	95.4	Very high	82.6	Confident	1 Å²	1	39 Å²	39	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	136.9	175.4	-62.9	93	0	0	0	108.9	L681 I715 V766 L792 T810 V815 L818	L679-L681 HydrophobicContact CB-CD1 4.27Å; L679-L681 HydrophobicContact CB-CD2 3.99Å; L679-L681 HydrophobicContact CB-CG 3.88Å; L679-L681 HydrophobicContact CD2-CD2 4.42Å; L679-I715 HydrophobicContact CD2-CD1 4.07Å; L679-V766 PolarHBondContact N-O 2.91Å; L679-V766 PolarHBondContact O-N 3.44Å; L679-L792 HydrophobicContact CD1-CD1 4.14Å; L679-L792 HydrophobicContact CD1-CD2 3.78Å; L679-L792 HydrophobicContact CD2-CD2 4.04Å; L679-T810 HydrophobicContact CD2-CG2 4.13Å; L679-T810 HydrophobicContact CG-CG2 4.48Å; L679-V815 HydrophobicContact CD2-CG2 3.87Å; L679-L818 HydrophobicContact CD1-CD1 4.38Å; L679-L818 HydrophobicContact CD2-CD1 4.15Å; L679-L818 HydrophobicContact CG-CD1 4.02Å
680	D	98	Very high	82.3	Confident	13 Å²	13	42.3 Å²	42.3	7%	0.07	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	111	172.3	-65.8	-42.9	0	0	0	108	V763 W764 R801 K804 A809 T810	D680-V763 HydrophobicContact CB-CG1 3.77Å; D680-W764 WeakPolarHBondContact CA-O 3.44Å; D680-R801 WeakPolarHBondContact OD1-CG 3.37Å; D680-R801 IonicContact OD1-CZ 3.56Å; D680-R801 IonicContact OD1-NH1 2.71Å; D680-R801 PolarHBondContact OD1-NH1 3.09Å; D680-R801 IonicContact OD2-CZ 2.6Å; D680-R801 IonicContact OD2-NH1 2.7Å; D680-R801 PolarHBondContact OD2-NH1 2.97Å; D680-R801 IonicContact OD2-NH2 3.96Å; D680-K804 HydrophobicContact CB-CD 3.99Å; D680-K804 WeakPolarHBondContact OD2-CD 3.36Å; D680-K804 WeakPolarHBondContact OD2-CE 3.14Å; D680-K804 IonicContact OD2-NZ 2.65Å; D680-K804 PolarHBondContact OD2-NZ 3.16Å; D680-A809 CarbonylContact O-C 3.57Å; D680-A809 WeakPolarHBondContact O-CA 3.5Å; D680-A809 WeakPolarHBondContact O-CB 3.33Å; D680-T810 PolarHBondContact N-OG1 2.93Å; D680-T810 PolarHBondContact O-N 3.46Å; D680-T810 PolarHBondContact O-OG1 2.72Å
681	L	98.6	Very high	82.4	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	143.4	-168.6	-62	179.9	0	0	0	111.9	L679 L702 C704 I715 V763 W764 V766 L792	L679-L681 HydrophobicContact CB-CD1 4.27Å; L679-L681 HydrophobicContact CB-CD2 3.99Å; L679-L681 HydrophobicContact CB-CG 3.88Å; L679-L681 HydrophobicContact CD2-CD2 4.42Å; L681-L702 HydrophobicContact CB-CB 4.06Å; L681-L702 HydrophobicContact CB-CD2 3.74Å; L681-L702 HydrophobicContact CB-CG 4.47Å; L681-L702 HydrophobicContact CD1-CB 4.34Å; L681-L702 HydrophobicContact CD1-CD2 4.41Å; L681-C704 HydrophobicContact CD2-CB 4.12Å; L681-I715 HydrophobicContact CD1-CG2 3.47Å; L681-I715 VanDerWaalsContact CD1-CG2 3.47Å; L681-I715 HydrophobicContact CD2-CG2 3.81Å; L681-I715 HydrophobicContact CG-CG2 4.24Å; L681-V763 CarbonylContact O-C 3.4Å; L681-V763 WeakPolarHBondContact O-CA 3.48Å; L681-W764 PolarHBondContact N-O 2.97Å; L681-W764 PolarHBondContact O-N 2.8Å; L681-V766 HydrophobicContact CD1-CB 4.15Å; L681-V766 HydrophobicContact CD1-CG2 4.15Å; L681-L792 HydrophobicContact CD1-CD1 3.67Å
682	V	98.6	Very high	82.4	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	132.2	-178.7	-171.4	0	0	0	0	110.4	I684 L702 A703 Y712 P760 V763 P806 A809	V682-I684 HydrophobicContact CB-CG2 4.43Å; V682-I684 HydrophobicContact CG1-CG2 4.07Å; V682-L702 CarbonylContact O-C 3.53Å; V682-L702 WeakPolarHBondContact O-CA 3.33Å; V682-A703 PolarHBondContact N-O 2.78Å; V682-A703 PolarHBondContact O-N 3.3Å; V682-Y712 HydrophobicContact CB-CD1 4.12Å; V682-Y712 HydrophobicContact CB-CE1 4.23Å; V682-Y712 HydrophobicContact CG1-CD1 4.45Å; V682-Y712 HydrophobicContact CG1-CE1 4.32Å; V682-Y712 HydrophobicContact CG2-CD1 3.91Å; V682-Y712 HydrophobicContact CG2-CE1 3.67Å; V682-P760 HydrophobicContact CG1-CB 3.64Å; V682-V763 HydrophobicContact CG2-CG2 4.36Å; V682-P806 HydrophobicContact CG1-CB 4.15Å; V682-P806 HydrophobicContact CG2-CB 4.11Å; V682-P806 VanDerWaalsContact CG2-O 3.28Å; V682-P806 WeakPolarHBondContact CG2-O 3.49Å; V682-A809 HydrophobicContact CG2-CB 3.52Å
683	V	98.5	Very high	82.8	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	122.6	172.4	-173.1	0	0	0	0	109.7	Y700 L702 F734 F758 Q762 W764	V683-Y700 HydrophobicContact CG1-CD1 3.82Å; V683-Y700 HydrophobicContact CG1-CG 4.37Å; V683-L702 HydrophobicContact CG2-CD2 4.3Å; V683-L702 HydrophobicContact CG2-CG 4.11Å; V683-F734 HydrophobicContact CB-CE1 3.81Å; V683-F734 HydrophobicContact CB-CE2 4.21Å; V683-F734 HydrophobicContact CB-CZ 3.43Å; V683-F734 VanDerWaalsContact CB-CZ 3.43Å; V683-F734 HydrophobicContact CG1-CD1 4.42Å; V683-F734 HydrophobicContact CG1-CD2 4.48Å; V683-F734 HydrophobicContact CG1-CE1 3.78Å; V683-F734 HydrophobicContact CG1-CE2 3.87Å; V683-F734 HydrophobicContact CG1-CZ 3.48Å; V683-F734 VanDerWaalsContact CG1-CZ 3.48Å; V683-F734 HydrophobicContact CG2-CE2 4.31Å; V683-F734 HydrophobicContact CG2-CZ 3.79Å; V683-F758 HydrophobicContact CG1-CD2 4.07Å; V683-Q762 PolarHBondContact N-O 3.3Å; V683-Q762 VanDerWaalsContact N-O 3.14Å; V683-W764 HydrophobicContact CG2-CD2 3.5Å; V683-W764 HydrophobicContact CG2-CE3 3.97Å; V683-W764 HydrophobicContact CG2-CG 3.79Å; V683-W764 HydrophobicContact CG2-CH2 4.45Å; V683-W764 HydrophobicContact CG2-CZ2 4.05Å; V683-W764 HydrophobicContact CG2-CZ3 4.41Å
684	I	98.4	Very high	83.7	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	-4.7	-175.5	61.8	163.9	0	0	0	114.1	V682 L701 A703 T714 Y746 W757 F758	V682-I684 HydrophobicContact CB-CG2 4.43Å; V682-I684 HydrophobicContact CG1-CG2 4.07Å; I684-L701 HydrophobicContact CD1-CD2 4.28Å; I684-L701 HydrophobicContact CD1-CG 4.4Å; I684-L701 HydrophobicContact CG1-CB 4.48Å; I684-L701 HydrophobicContact CG1-CD2 4.29Å; I684-L701 HydrophobicContact CG1-CG 4.14Å; I684-L701 WeakPolarHBondContact CG1-O 3.36Å; I684-L701 PolarHBondContact N-O 3.4Å; I684-A703 HydrophobicContact CD1-CB 3.74Å; I684-A703 HydrophobicContact CG1-CB 4.2Å; I684-A703 HydrophobicContact CG2-CB 4.26Å; I684-T714 HydrophobicContact CD1-CG2 3.88Å; I684-Y746 HydrophobicContact CB-CD2 4.35Å; I684-Y746 HydrophobicContact CB-CE1 4.39Å; I684-Y746 HydrophobicContact CB-CE2 3.8Å; I684-Y746 HydrophobicContact CD1-CD2 4.35Å; I684-Y746 HydrophobicContact CD1-CG 4.41Å; I684-Y746 HydrophobicContact CG2-CE1 3.91Å; I684-Y746 HydrophobicContact CG2-CE2 4.21Å; I684-W757 HydrophobicContact CD1-CZ3 4.42Å; I684-F758 PolarHBondContact O-N 2.76Å
685	G	98	Very high	85	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.3	165.1	175.8	0	0	0	0	0	114.4	Y700 L701 Q756 F758	G685-Y700 CarbonylContact O-C 3.6Å; G685-Y700 WeakPolarHBondContact O-CA 3.35Å; G685-L701 PolarHBondContact N-O 3.31Å; G685-L701 PolarHBondContact O-N 3.47Å; G685-Q756 CarbonylContact C-O 2.98Å; G685-Q756 VanDerWaalsContact CA-O 3.26Å; G685-Q756 WeakPolarHBondContact CA-O 3.27Å; G685-F758 VanDerWaalsContact C-CD2 3.41Å; G685-F758 VanDerWaalsContact CA-CD2 3.42Å; G685-F758 WeakPolarHBondContact O-CE2 3.33Å
686	G	96.8	Very high	86.6	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	143.4	-176.2	0	0	0	0	0	112.8	P754 D755 Q756 F758	G686-P754 WeakPolarHBondContact O-CB 3.07Å; G686-D755 PolarHBondContact O-N 3.03Å; G686-Q756 PolarHBondContact N-O 3.2Å; G686-Q756 PolarHBondContact O-N 2.85Å; G686-Q756 VanDerWaalsContact O-N 3.08Å; G686-F758 VanDerWaalsContact CA-CE2 3.46Å
687	F	94.8	Very high	88.1	Confident	22 Å²	22	45 Å²	45	10%	0.096	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.8	175.4	-60.2	-90	0	0	0	109.2	G689 Y697 G698 G699 L701 K717 P754 D755	F687-G689 PolarHBondContact O-N 3.29Å; F687-Y697 CarbonylContact O-C 3.59Å; F687-Y697 VanDerWaalsContact O-CA 3.28Å; F687-Y697 WeakPolarHBondContact O-CA 3.29Å; F687-G698 PolarHBondContact O-N 3.44Å; F687-G699 PolarHBondContact N-O 3Å; F687-G699 PolarHBondContact O-N 2.83Å; F687-L701 HydrophobicContact CE2-CB 3.93Å; F687-L701 HydrophobicContact CZ-CB 4.44Å; F687-K717 VanDerWaalsContact CD1-NZ 3.3Å; F687-K717 HydrophobicContact CD2-CD 3.77Å; F687-K717 HydrophobicContact CD2-CG 4.01Å; F687-K717 HydrophobicContact CE1-CD 4.36Å; F687-K717 HydrophobicContact CE2-CB 4.36Å; F687-K717 HydrophobicContact CE2-CD 3.49Å; F687-K717 VanDerWaalsContact CE2-CD 3.49Å; F687-K717 HydrophobicContact CE2-CG 3.67Å; F687-K717 HydrophobicContact CG-CD 4.32Å; F687-K717 HydrophobicContact CZ-CD 3.83Å; F687-K717 HydrophobicContact CZ-CG 4.39Å; F687-P754 HydrophobicContact CE1-CB 4.23Å; F687-P754 HydrophobicContact CE2-CB 4.37Å; F687-P754 HydrophobicContact CZ-CB 4.14Å; F687-D755 VanDerWaalsContact CA-OD2 3.3Å; F687-D755 WeakPolarHBondContact CA-OD2 3.28Å
688	Y	91.5	Very high	88.8	Confident	109 Å²	109	41.7 Å²	41.7	43%	0.427	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	132.3	177.2	-66.2	-52.2	0	0	0	110.5	Y697 D755	Y688-Y697 AromaticContact CD1-CD1 3.93Å; Y688-Y697 HydrophobicContact CD1-CD1 3.93Å; Y688-Y697 AromaticContact CD1-CE1 3.9Å; Y688-Y697 HydrophobicContact CD1-CE1 3.9Å; Y688-Y697 HydrophobicContact CE1-CD1 4.05Å; Y688-Y697 AromaticContact CE1-CE1 3.52Å; Y688-Y697 HydrophobicContact CE1-CE1 3.52Å; Y688-D755 HydrophobicContact CD2-CB 3.36Å; Y688-D755 HydrophobicContact CE2-CB 3.51Å; Y688-D755 HydrophobicContact CG-CB 4.04Å; Y688-D755 PolarHBondContact N-OD2 2.62Å
689	G	83.6	Confident	89	Confident	12 Å²	12	39 Å²	39	12%	0.124	23%	0.228	C	C	.	.			trans	-69.6	157.9	176.7	0	0	0	0	0	111.3	F687 R693 R696	F687-G689 PolarHBondContact O-N 3.29Å; G689-R693 CarbonylContact C-O 3.11Å; G689-R693 WeakPolarHBondContact CA-O 3.49Å; G689-R696 PolarHBondContact N-O 2.83Å
690	T	76	Confident	89.1	Confident	94 Å²	94	39 Å²	39	58%	0.577	23%	0.228	S	C	*	.			trans	-121.2	161.7	173.9	62	0	0	0	0	108.8	K692 R693	T690-K692 PolarHBondContact O-N 3.26Å; T690-R693 PolarHBondContact O-N 2.99Å
691	G	72.5	Confident	89.1	Confident	55 Å²	55	38.3 Å²	38.3	57%	0.567	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	63.1	-128.2	-179.3	0	0	0	0	0	112.3	R693 A694	G691-R693 PolarHBondContact O-N 2.89Å; G691-R693 VanDerWaalsContact O-N 3.12Å; G691-A694 VanDerWaalsContact O-CB 3.25Å; G691-A694 WeakPolarHBondContact O-CB 3.17Å; G691-A694 PolarHBondContact O-N 2.69Å
692	K	69.1	Low	89.1	Confident	199 Å²	199	38.3 Å²	38.3	87%	0.865	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-58.7	-23.8	179.1	-65.1	-175.9	-179.9	179.6	0	113.7	T690	T690-K692 PolarHBondContact O-N 3.26Å
693	R	74.8	Confident	89.1	Confident	73 Å²	73	38.3 Å²	38.3	28%	0.275	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-96.9	13.5	178.2	-58.8	-179.2	-179.5	176.3	-0.5	112.7	G689 T690 G691 R696 G698 G719 L727	G689-R693 CarbonylContact C-O 3.11Å; G689-R693 WeakPolarHBondContact CA-O 3.49Å; T690-R693 PolarHBondContact O-N 2.99Å; G691-R693 PolarHBondContact O-N 2.89Å; G691-R693 VanDerWaalsContact O-N 3.12Å; R693-R696 HydrophobicContact CB-CG 4.11Å; R693-R696 WeakPolarHBondContact O-CG 3.34Å; R693-R696 PolarHBondContact O-N 3.3Å; R693-G698 PolarHBondContact NH1-O 3.48Å; R693-G719 PolarHBondContact NH1-O 2.84Å; R693-L727 VanDerWaalsContact CZ-CD1 3.46Å
694	A	79.4	Confident	89.1	Confident	64 Å²	64	38.3 Å²	38.3	53%	0.529	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	142.2	173.9	0	0	0	0	0	111	G691 R696	G691-A694 VanDerWaalsContact O-CB 3.25Å; G691-A694 WeakPolarHBondContact O-CB 3.17Å; G691-A694 PolarHBondContact O-N 2.69Å; A694-R696 VanDerWaalsContact C-N 3.32Å; A694-R696 PolarHBondContact O-N 3.42Å
695	G	82	Confident	89.1	Confident	74 Å²	74	39.8 Å²	39.8	76%	0.763	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.2	0.4	-178.5	0	0	0	0	0	115.9
696	R	89.6	Confident	89	Confident	78 Å²	78	40.8 Å²	40.8	29%	0.294	24%	0.236	S	C	.	.	S	Bend	trans	-132.6	171.6	176.3	66.5	-178.2	84.7	-179.8	3	110.8	G689 R693 A694 G698 S731	G689-R696 PolarHBondContact N-O 2.83Å; R693-R696 HydrophobicContact CB-CG 4.11Å; R693-R696 WeakPolarHBondContact O-CG 3.34Å; R693-R696 PolarHBondContact O-N 3.3Å; A694-R696 VanDerWaalsContact C-N 3.32Å; A694-R696 PolarHBondContact O-N 3.42Å; R696-G698 PolarHBondContact O-N 3.43Å; R696-S731 WeakPolarHBondContact CB-OG 3.17Å
697	Y	92.7	Very high	89	Confident	9 Å²	9	44 Å²	44	4%	0.035	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	118.2	171.6	-55.4	-58.8	0	0	0	109	F687 Y688 Y700 S731 F734 K735 Q756 F758	F687-Y697 CarbonylContact O-C 3.59Å; F687-Y697 VanDerWaalsContact O-CA 3.28Å; F687-Y697 WeakPolarHBondContact O-CA 3.29Å; Y688-Y697 AromaticContact CD1-CD1 3.93Å; Y688-Y697 HydrophobicContact CD1-CD1 3.93Å; Y688-Y697 AromaticContact CD1-CE1 3.9Å; Y688-Y697 HydrophobicContact CD1-CE1 3.9Å; Y688-Y697 HydrophobicContact CE1-CD1 4.05Å; Y688-Y697 AromaticContact CE1-CE1 3.52Å; Y688-Y697 HydrophobicContact CE1-CE1 3.52Å; Y697-Y700 HydrophobicContact CD2-CE1 4.27Å; Y697-Y700 HydrophobicContact CG-CE1 4.48Å; Y697-S731 PolarHBondContact N-OG 2.62Å; Y697-F734 HydrophobicContact CD2-CB 4.49Å; Y697-F734 HydrophobicContact CE2-CB 4.25Å; Y697-K735 HydrophobicContact CE2-CG 4.05Å; Y697-Q756 HydrophobicContact CE1-CB 3.78Å; Y697-Q756 HydrophobicContact CE1-CG 4.39Å; Y697-Q756 WeakPolarHBondContact OH-CG 3.2Å; Y697-F758 HydrophobicContact CD1-CZ 4.22Å; Y697-F758 HydrophobicContact CD2-CE1 4.41Å; Y697-F758 HydrophobicContact CD2-CE2 4.46Å; Y697-F758 AromaticContact CD2-CZ 3.64Å; Y697-F758 HydrophobicContact CD2-CZ 3.64Å; Y697-F758 HydrophobicContact CE1-CE1 4.32Å; Y697-F758 AromaticContact CE1-CZ 3.99Å; Y697-F758 HydrophobicContact CE1-CZ 3.99Å; Y697-F758 AromaticContact CE2-CE1 3.73Å; Y697-F758 HydrophobicContact CE2-CE1 3.73Å; Y697-F758 AromaticContact CE2-CZ 3.42Å; Y697-F758 HydrophobicContact CE2-CZ 3.42Å; Y697-F758 VanDerWaalsContact CE2-CZ 3.42Å; Y697-F758 HydrophobicContact CG-CZ 4.08Å; Y697-F758 AromaticContact CZ-CE1 3.69Å; Y697-F758 AromaticContact CZ-CZ 3.61Å
698	G	87.6	Confident	89	Confident	14 Å²	14	50.2 Å²	50.2	14%	0.144	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-9.9	-178.5	0	0	0	0	0	114.1	F687 R693 R696	F687-G698 PolarHBondContact O-N 3.44Å; R693-G698 PolarHBondContact NH1-O 3.48Å; R696-G698 PolarHBondContact O-N 3.43Å
699	G	92.6	Very high	89.1	Confident	2 Å²	2	48.3 Å²	48.3	2%	0.021	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	161.6	170.9	0	0	0	0	0	111.7	F687 I718	F687-G699 PolarHBondContact N-O 3Å; F687-G699 PolarHBondContact O-N 2.83Å; G699-I718 CarbonylContact C-O 3.55Å; G699-I718 WeakPolarHBondContact CA-O 3.26Å
700	Y	97.6	Very high	89.7	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	142.8	-171	-63.4	-91.7	0	0	0	110.4	V683 G685 Y697 K717 I718 M722 L727 F730 S731 F734 F758 W764	V683-Y700 HydrophobicContact CG1-CD1 3.82Å; V683-Y700 HydrophobicContact CG1-CG 4.37Å; G685-Y700 CarbonylContact O-C 3.6Å; G685-Y700 WeakPolarHBondContact O-CA 3.35Å; Y697-Y700 HydrophobicContact CD2-CE1 4.27Å; Y697-Y700 HydrophobicContact CG-CE1 4.48Å; Y700-K717 CarbonylContact O-C 3.57Å; Y700-K717 VanDerWaalsContact O-CA 3.28Å; Y700-K717 WeakPolarHBondContact O-CA 3.39Å; Y700-I718 PolarHBondContact N-O 2.66Å; Y700-I718 PolarHBondContact O-N 3.23Å; Y700-M722 HydrophobicContact CD2-CE 4.12Å; Y700-M722 HydrophobicContact CD2-SD 4.1Å; Y700-M722 HydrophobicContact CE2-CE 4.46Å; Y700-M722 HydrophobicContact CE2-SD 3.99Å; Y700-L727 HydrophobicContact CE2-CD2 4.15Å; Y700-F730 HydrophobicContact CE1-CB 4.48Å; Y700-F730 VanDerWaalsContact OH-CB 3.29Å; Y700-F730 WeakPolarHBondContact OH-CB 3.11Å; Y700-S731 PolarHBondContact OH-N 3.06Å; Y700-S731 PolarHBondContact OH-OG 3.31Å; Y700-F734 HydrophobicContact CD1-CD2 4.24Å; Y700-F734 HydrophobicContact CD1-CE2 4.42Å; Y700-F734 AromaticContact CE1-CD2 3.68Å; Y700-F734 HydrophobicContact CE1-CD2 3.68Å; Y700-F734 HydrophobicContact CE1-CE2 4.18Å; Y700-F734 HydrophobicContact CE1-CG 4.46Å; Y700-F758 AromaticContact CD1-CE2 3.99Å; Y700-F758 HydrophobicContact CD1-CE2 3.99Å; Y700-F758 HydrophobicContact CE1-CE2 4.14Å; Y700-W764 HydrophobicContact CD1-CH2 4.18Å; Y700-W764 AromaticContact CD2-CH2 3.6Å; Y700-W764 HydrophobicContact CD2-CH2 3.6Å; Y700-W764 AromaticContact CD2-CZ3 3.94Å; Y700-W764 HydrophobicContact CD2-CZ3 3.94Å; Y700-W764 HydrophobicContact CE1-CH2 4.43Å; Y700-W764 AromaticContact CE2-CH2 3.88Å; Y700-W764 HydrophobicContact CE2-CH2 3.88Å; Y700-W764 AromaticContact CG-CH2 3.77Å; Y700-W764 HydrophobicContact CG-CH2 3.77Å; Y700-W764 HydrophobicContact CG-CZ3 4.07Å
701	L	98.2	Very high	90.8	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	123.4	172.4	-175.4	64.8	0	0	0	108.4	I684 G685 F687 T714 L752 P754 W757	I684-L701 HydrophobicContact CD1-CD2 4.28Å; I684-L701 HydrophobicContact CD1-CG 4.4Å; I684-L701 HydrophobicContact CG1-CB 4.48Å; I684-L701 HydrophobicContact CG1-CD2 4.29Å; I684-L701 HydrophobicContact CG1-CG 4.14Å; I684-L701 WeakPolarHBondContact CG1-O 3.36Å; I684-L701 PolarHBondContact N-O 3.4Å; G685-L701 PolarHBondContact N-O 3.31Å; G685-L701 PolarHBondContact O-N 3.47Å; F687-L701 HydrophobicContact CE2-CB 3.93Å; F687-L701 HydrophobicContact CZ-CB 4.44Å; L701-T714 HydrophobicContact CD1-CG2 3.91Å; L701-T714 HydrophobicContact CD2-CG2 3.78Å; L701-T714 HydrophobicContact CG-CG2 3.92Å; L701-L752 HydrophobicContact CD1-CB 4.43Å; L701-L752 HydrophobicContact CD1-CD1 4.41Å; L701-P754 HydrophobicContact CD2-CG 4.27Å; L701-W757 HydrophobicContact CD2-CH2 4.25Å; L701-W757 HydrophobicContact CD2-CZ3 4Å
702	L	98.5	Very high	92	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	152.8	-179.1	-73	80.1	0	0	0	111.6	L681 V682 V683 I715 C716 I718 W764 V766	L681-L702 HydrophobicContact CB-CB 4.06Å; L681-L702 HydrophobicContact CB-CD2 3.74Å; L681-L702 HydrophobicContact CB-CG 4.47Å; L681-L702 HydrophobicContact CD1-CB 4.34Å; L681-L702 HydrophobicContact CD1-CD2 4.41Å; V682-L702 CarbonylContact O-C 3.53Å; V682-L702 WeakPolarHBondContact O-CA 3.33Å; V683-L702 HydrophobicContact CG2-CD2 4.3Å; V683-L702 HydrophobicContact CG2-CG 4.11Å; L702-I715 PolarHBondContact O-N 3.09Å; L702-C716 PolarHBondContact N-O 2.91Å; L702-C716 PolarHBondContact O-N 3.34Å; L702-I718 HydrophobicContact CD1-CB 4.27Å; L702-I718 HydrophobicContact CD1-CG2 3.36Å; L702-W764 HydrophobicContact CD1-CE3 4.43Å; L702-W764 HydrophobicContact CD2-CB 4.11Å; L702-W764 HydrophobicContact CD2-CE3 4.07Å; L702-V766 HydrophobicContact CD2-CG2 3.79Å
703	A	98.4	Very high	93.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	148.6	-177.5	0	0	0	0	0	112.3	V682 I684 Q713	V682-A703 PolarHBondContact N-O 2.78Å; V682-A703 PolarHBondContact O-N 3.3Å; I684-A703 HydrophobicContact CD1-CB 3.74Å; I684-A703 HydrophobicContact CG1-CB 4.2Å; I684-A703 HydrophobicContact CG2-CB 4.26Å; A703-Q713 CarbonylContact C-O 3.37Å; A703-Q713 WeakPolarHBondContact CA-O 3.29Å; A703-Q713 VanDerWaalsContact CB-O 3.28Å; A703-Q713 WeakPolarHBondContact CB-O 3.47Å
704	C	98.1	Very high	94.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	165	162.1	66.7	0	0	0	0	109.4	L681 Y712 Q713 A779 T810 V815	L681-C704 HydrophobicContact CD2-CB 4.12Å; C704-Y712 CarbonylContact O-C 3.58Å; C704-Y712 WeakPolarHBondContact O-CA 3.45Å; C704-Q713 PolarHBondContact N-O 2.93Å; C704-Q713 PolarHBondContact O-N 3.33Å; C704-A779 WeakPolarHBondContact SG-CB 3.41Å; C704-T810 WeakPolarHBondContact CA-O 3.28Å; C704-T810 VanDerWaalsContact CB-O 3.22Å; C704-T810 WeakPolarHBondContact CB-O 3.34Å; C704-V815 HydrophobicContact CB-CG2 3.96Å
705	Y	98.4	Very high	95.4	Very high	31 Å²	31	34.7 Å²	34.7	12%	0.122	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	140.7	176.8	-177.3	-118.9	0	0	0	110.6	P707 Y712 E807 T810 T811 A812	Y705-P707 HydrophobicContact CE1-CB 4.07Å; Y705-Y712 AromaticContact CD2-CD1 3.89Å; Y705-Y712 HydrophobicContact CD2-CD1 3.89Å; Y705-Y712 AromaticContact CD2-CE1 3.53Å; Y705-Y712 HydrophobicContact CD2-CE1 3.53Å; Y705-Y712 AromaticContact CD2-CZ 3.9Å; Y705-Y712 HydrophobicContact CE2-CE1 4.32Å; Y705-Y712 HydrophobicContact CG-CE1 4.2Å; Y705-E807 VanDerWaalsContact CD1-O 3.27Å; Y705-E807 WeakPolarHBondContact CD1-O 3.25Å; Y705-E807 HydrophobicContact CE1-CB 4.21Å; Y705-T810 PolarHBondContact N-O 3.31Å; Y705-T810 VanDerWaalsContact N-O 3.1Å; Y705-T811 CarbonylContact O-C 3.45Å; Y705-T811 WeakPolarHBondContact O-CA 3.32Å; Y705-A812 PolarHBondContact O-N 2.8Å
706	D	97.5	Very high	96	Very high	20 Å²	20	31.2 Å²	31.2	11%	0.107	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	107.4	171.4	-178.3	1.7	0	0	0	109.1	D708 T709 E710 E711 Q713 A812	D706-D708 VanDerWaalsContact C-N 3.25Å; D706-D708 PolarHBondContact O-N 2.77Å; D706-D708 PolarHBondContact OD1-N 2.86Å; D706-D708 VanDerWaalsContact OD1-N 3.1Å; D706-T709 WeakPolarHBondContact CB-OG1 3.45Å; D706-T709 PolarHBondContact OD2-OG1 3.48Å; D706-E710 VanDerWaalsContact O-CA 3.22Å; D706-E710 WeakPolarHBondContact O-CA 3.38Å; D706-E710 PolarHBondContact O-N 3.43Å; D706-E711 PolarHBondContact N-O 3.49Å; D706-E711 PolarHBondContact O-N 2.8Å; D706-Q713 HydrophobicContact CB-CG 4.33Å; D706-Q713 VanDerWaalsContact CB-NE2 3.34Å; D706-Q713 PolarHBondContact OD2-NE2 3.21Å; D706-A812 HydrophobicContact CB-CB 4.14Å
707	P	95.6	Very high	96.3	Very high	67 Å²	67	32.5 Å²	32.5	44%	0.435	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-21.7	-177.3	28.9	-35	0	0	0	113.4	Y705 T811	Y705-P707 HydrophobicContact CE1-CB 4.07Å; P707-T811 HydrophobicContact CG-CG2 4.32Å
708	D	94.8	Very high	96.2	Very high	153 Å²	153	32.1 Å²	32.1	82%	0.818	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-33.9	-177.7	-67	-29.7	0	0	0	111.8	D706	D706-D708 VanDerWaalsContact C-N 3.25Å; D706-D708 PolarHBondContact O-N 2.77Å; D706-D708 PolarHBondContact OD1-N 2.86Å; D706-D708 VanDerWaalsContact OD1-N 3.1Å
709	T	94.6	Very high	96.1	Very high	70 Å²	70	32.5 Å²	32.5	43%	0.429	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-10.7	179.3	57.6	0	0	0	0	113.1	D706 E711	D706-T709 WeakPolarHBondContact CB-OG1 3.45Å; D706-T709 PolarHBondContact OD2-OG1 3.48Å; T709-E711 WeakPolarHBondContact O-CG 3.21Å; T709-E711 PolarHBondContact O-N 2.85Å; T709-E711 WeakPolarHBondContact OG1-CB 3.38Å
710	E	96.3	Very high	95.7	Very high	140 Å²	140	35.7 Å²	35.7	65%	0.654	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	33.5	-170.2	-56.6	-175.5	163.4	0	0	112.8	D706	D706-E710 VanDerWaalsContact O-CA 3.22Å; D706-E710 WeakPolarHBondContact O-CA 3.38Å; D706-E710 PolarHBondContact O-N 3.43Å
711	E	97.6	Very high	95.1	Very high	46 Å²	46	37.7 Å²	37.7	22%	0.215	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	146	-174.5	-63	-176.9	143.3	0	0	113.1	D706 T709 Y745 Q747	D706-E711 PolarHBondContact N-O 3.49Å; D706-E711 PolarHBondContact O-N 2.8Å; T709-E711 WeakPolarHBondContact O-CG 3.21Å; T709-E711 PolarHBondContact O-N 2.85Å; T709-E711 WeakPolarHBondContact OG1-CB 3.38Å; E711-Y745 CarbonylContact C-O 3.41Å; E711-Y745 WeakPolarHBondContact CA-O 3.48Å; E711-Q747 HydrophobicContact CB-CG 4.04Å; E711-Q747 HydrophobicContact CG-CG 4.31Å; E711-Q747 PolarHBondContact OE1-NE2 3.35Å; E711-Q747 WeakPolarHBondContact OE2-CG 3.43Å; E711-Q747 PolarHBondContact OE2-NE2 3.09Å; E711-Q747 VanDerWaalsContact OE2-NE2 3.15Å
712	Y	98.4	Very high	94.5	Very high	7 Å²	7	38.5 Å²	38.5	3%	0.027	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	113.1	168	-64	-76.6	0	0	0	110.3	V682 C704 Y705 Y745 Y746 Q747 P760 P806 E807	V682-Y712 HydrophobicContact CB-CD1 4.12Å; V682-Y712 HydrophobicContact CB-CE1 4.23Å; V682-Y712 HydrophobicContact CG1-CD1 4.45Å; V682-Y712 HydrophobicContact CG1-CE1 4.32Å; V682-Y712 HydrophobicContact CG2-CD1 3.91Å; V682-Y712 HydrophobicContact CG2-CE1 3.67Å; C704-Y712 CarbonylContact O-C 3.58Å; C704-Y712 WeakPolarHBondContact O-CA 3.45Å; Y705-Y712 AromaticContact CD2-CD1 3.89Å; Y705-Y712 HydrophobicContact CD2-CD1 3.89Å; Y705-Y712 AromaticContact CD2-CE1 3.53Å; Y705-Y712 HydrophobicContact CD2-CE1 3.53Å; Y705-Y712 AromaticContact CD2-CZ 3.9Å; Y705-Y712 HydrophobicContact CE2-CE1 4.32Å; Y705-Y712 HydrophobicContact CG-CE1 4.2Å; Y712-Y745 AromaticContact CD2-CD2 3.74Å; Y712-Y745 HydrophobicContact CD2-CD2 3.74Å; Y712-Y745 AromaticContact CD2-CE2 3.94Å; Y712-Y745 HydrophobicContact CD2-CE2 3.94Å; Y712-Y745 AromaticContact CE2-CD2 3.97Å; Y712-Y745 HydrophobicContact CE2-CD2 3.97Å; Y712-Y745 AromaticContact CE2-CE2 3.86Å; Y712-Y745 HydrophobicContact CE2-CE2 3.86Å; Y712-Y745 PolarHBondContact N-O 3.48Å; Y712-Y746 AromaticContact CD2-CD1 3.86Å; Y712-Y746 HydrophobicContact CD2-CD1 3.86Å; Y712-Y746 AromaticContact CD2-CE1 3.53Å; Y712-Y746 HydrophobicContact CD2-CE1 3.53Å; Y712-Y746 HydrophobicContact CE2-CE1 4.33Å; Y712-Y746 HydrophobicContact CG-CD1 4.31Å; Y712-Y746 HydrophobicContact CG-CE1 4.13Å; Y712-Q747 PolarHBondContact O-N 2.88Å; Y712-P760 HydrophobicContact CD2-CB 4.35Å; Y712-P760 HydrophobicContact CE2-CB 3.86Å; Y712-P760 HydrophobicContact CE2-CG 3.85Å; Y712-P806 HydrophobicContact CE1-CB 4.25Å; Y712-P806 WeakPolarHBondContact OH-CB 3.19Å; Y712-E807 PolarHBondContact OH-OE1 3.09Å
713	Q	98.2	Very high	94	Very high	17 Å²	17	45.8 Å²	45.8	8%	0.079	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	118.3	-175	-56	176.5	-6.7	0	0	111.1	A703 C704 D706 I715 Q747 K778 A779	A703-Q713 CarbonylContact C-O 3.37Å; A703-Q713 WeakPolarHBondContact CA-O 3.29Å; A703-Q713 VanDerWaalsContact CB-O 3.28Å; A703-Q713 WeakPolarHBondContact CB-O 3.47Å; C704-Q713 PolarHBondContact N-O 2.93Å; C704-Q713 PolarHBondContact O-N 3.33Å; D706-Q713 HydrophobicContact CB-CG 4.33Å; D706-Q713 VanDerWaalsContact CB-NE2 3.34Å; D706-Q713 PolarHBondContact OD2-NE2 3.21Å; Q713-I715 PolarHBondContact O-N 2.96Å; Q713-Q747 HydrophobicContact CB-CB 4.45Å; Q713-Q747 HydrophobicContact CG-CB 4.15Å; Q713-K778 HydrophobicContact CB-CB 4.41Å; Q713-K778 PolarHBondContact OE1-O 3.34Å; Q713-A779 HydrophobicContact CB-CB 4.44Å
714	T	98.2	Very high	93.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	132.9	179.9	50.5	0	0	0	0	112.2	I684 L701 Q747 H777 K778 A779	I684-T714 HydrophobicContact CD1-CG2 3.88Å; L701-T714 HydrophobicContact CD1-CG2 3.91Å; L701-T714 HydrophobicContact CD2-CG2 3.78Å; L701-T714 HydrophobicContact CG-CG2 3.92Å; T714-Q747 WeakPolarHBondContact CG2-O 3.41Å; T714-Q747 PolarHBondContact N-O 3.17Å; T714-Q747 PolarHBondContact OG1-O 2.83Å; T714-Q747 VanDerWaalsContact OG1-O 3.08Å; T714-H777 VanDerWaalsContact O-CB 3.26Å; T714-H777 WeakPolarHBondContact O-CB 3.42Å; T714-H777 PolarHBondContact O-ND1 2.67Å; T714-K778 PolarHBondContact O-N 2.88Å; T714-K778 PolarHBondContact OG1-N 3.36Å; T714-A779 PolarHBondContact O-N 3Å
715	I	97.4	Very high	92.8	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	-30.7	-178.6	-162.8	173.8	0	0	0	113.6	L679 L681 L702 Q713 H777 A779 S791 L792 V815	L679-I715 HydrophobicContact CD2-CD1 4.07Å; L681-I715 HydrophobicContact CD1-CG2 3.47Å; L681-I715 VanDerWaalsContact CD1-CG2 3.47Å; L681-I715 HydrophobicContact CD2-CG2 3.81Å; L681-I715 HydrophobicContact CG-CG2 4.24Å; L702-I715 PolarHBondContact O-N 3.09Å; Q713-I715 PolarHBondContact O-N 2.96Å; I715-H777 VanDerWaalsContact C-CE1 3.48Å; I715-H777 VanDerWaalsContact C-ND1 3.31Å; I715-H777 PolarHBondContact N-ND1 3.2Å; I715-A779 HydrophobicContact CB-CB 3.69Å; I715-A779 HydrophobicContact CD1-CB 3.94Å; I715-A779 HydrophobicContact CG1-CB 3.63Å; I715-S791 WeakPolarHBondContact O-CA 3.22Å; I715-S791 VanDerWaalsContact O-CB 3.31Å; I715-S791 WeakPolarHBondContact O-CB 3.35Å; I715-L792 HydrophobicContact CD1-CD2 4.01Å; I715-L792 HydrophobicContact CD1-CG 4.21Å; I715-L792 HydrophobicContact CG1-CD2 4.4Å; I715-L792 HydrophobicContact CG1-CG 4.18Å; I715-L792 PolarHBondContact O-N 3.46Å; I715-V815 HydrophobicContact CD1-CB 4.4Å; I715-V815 HydrophobicContact CD1-CG1 3.68Å; I715-V815 HydrophobicContact CD1-CG2 3.69Å
716	C	95.8	Very high	92.4	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.014	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	159	178	75	0	0	0	0	113.2	L702 H777 L792 P795	L702-C716 PolarHBondContact N-O 2.91Å; L702-C716 PolarHBondContact O-N 3.34Å; C716-H777 WeakPolarHBondContact CA-CE1 3.31Å; C716-H777 PolarHBondContact N-CE1 2.92Å; C716-H777 VanDerWaalsContact N-CE1 3.33Å; C716-L792 HydrophobicContact CB-CB 4.09Å; C716-L792 HydrophobicContact CB-CD1 4.33Å; C716-L792 HydrophobicContact CB-CG 4.26Å; C716-P795 HydrophobicContact CB-CB 4.45Å; C716-P795 HydrophobicContact CB-CG 4.21Å
717	K	94.7	Very high	91.9	Very high	104 Å²	104	57.6 Å²	57.6	45%	0.452	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	121.8	161.4	173.2	179.7	176.7	161.9	0	107.9	F687 Y700	F687-K717 VanDerWaalsContact CD1-NZ 3.3Å; F687-K717 HydrophobicContact CD2-CD 3.77Å; F687-K717 HydrophobicContact CD2-CG 4.01Å; F687-K717 HydrophobicContact CE1-CD 4.36Å; F687-K717 HydrophobicContact CE2-CB 4.36Å; F687-K717 HydrophobicContact CE2-CD 3.49Å; F687-K717 VanDerWaalsContact CE2-CD 3.49Å; F687-K717 HydrophobicContact CE2-CG 3.67Å; F687-K717 HydrophobicContact CG-CD 4.32Å; F687-K717 HydrophobicContact CZ-CD 3.83Å; F687-K717 HydrophobicContact CZ-CG 4.39Å; Y700-K717 CarbonylContact O-C 3.57Å; Y700-K717 VanDerWaalsContact O-CA 3.28Å; Y700-K717 WeakPolarHBondContact O-CA 3.39Å
718	I	91.8	Very high	91.7	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.01	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143.9	-175.9	-158.5	171.3	0	0	0	111.7	G699 Y700 L702 M722 W764 V766 P795 F797	G699-I718 CarbonylContact C-O 3.55Å; G699-I718 WeakPolarHBondContact CA-O 3.26Å; Y700-I718 PolarHBondContact N-O 2.66Å; Y700-I718 PolarHBondContact O-N 3.23Å; L702-I718 HydrophobicContact CD1-CB 4.27Å; L702-I718 HydrophobicContact CD1-CG2 3.36Å; I718-M722 HydrophobicContact CG2-CE 4.12Å; I718-W764 HydrophobicContact CG2-CE3 4.36Å; I718-W764 HydrophobicContact CG2-CZ3 3.99Å; I718-V766 HydrophobicContact CD1-CG1 3.98Å; I718-V766 HydrophobicContact CD1-CG2 4.3Å; I718-P795 HydrophobicContact CD1-CB 4.04Å; I718-P795 HydrophobicContact CG1-CB 4.2Å; I718-P795 HydrophobicContact CG1-CG 4.33Å; I718-F797 HydrophobicContact CD1-CB 4.2Å
719	G	86	Confident	91.6	Very high	21 Å²	21	52.2 Å²	52.2	22%	0.216	29%	0.289	C	S	.	.			trans	-146.3	15.1	173.7	0	0	0	0	0	112.9	R693	R693-G719 PolarHBondContact NH1-O 2.84Å
720	T	84.3	Confident	91.7	Very high	69 Å²	69	49.4 Å²	49.4	42%	0.423	27%	0.271	S	S	.	.			trans	-131.8	151	-166.6	36.8	0	0	0	0	110.1	M722 P795 F797	T720-M722 VanDerWaalsContact C-N 3.33Å; T720-P795 PolarHBondContact OG1-O 3.29Å; T720-F797 PolarHBondContact O-N 3.01Å; T720-F797 VanDerWaalsContact O-N 3.07Å
721	G	84.5	Confident	91.6	Very high	43 Å²	43	42.8 Å²	42.8	44%	0.443	24%	0.24	S	C	.	.	S	Bend	trans	89.4	-7.6	-176.7	0	0	0	0	0	114.6
722	M	86.4	Confident	91.5	Very high	16 Å²	16	45.5 Å²	45.5	8%	0.079	25%	0.253	C	S	.	.			trans	-101.6	135.3	178.3	-58.8	166.8	-97.9	0	0	110.6	Y700 I718 T720 E726 L727 F730 W764 F797	Y700-M722 HydrophobicContact CD2-CE 4.12Å; Y700-M722 HydrophobicContact CD2-SD 4.1Å; Y700-M722 HydrophobicContact CE2-CE 4.46Å; Y700-M722 HydrophobicContact CE2-SD 3.99Å; I718-M722 HydrophobicContact CG2-CE 4.12Å; T720-M722 VanDerWaalsContact C-N 3.33Å; M722-E726 WeakPolarHBondContact CA-OE2 3.19Å; M722-E726 HydrophobicContact CB-CB 4.43Å; M722-L727 HydrophobicContact CB-CD2 3.99Å; M722-L727 HydrophobicContact CB-CG 3.82Å; M722-L727 HydrophobicContact CE-CD2 4.18Å; M722-L727 HydrophobicContact CG-CD2 4.47Å; M722-L727 HydrophobicContact SD-CD2 3.62Å; M722-L727 HydrophobicContact SD-CG 4.44Å; M722-F730 HydrophobicContact CG-CD2 4.29Å; M722-F730 HydrophobicContact CG-CE2 3.85Å; M722-F730 HydrophobicContact SD-CD2 3.75Å; M722-F730 HydrophobicContact SD-CE2 3.88Å; M722-W764 HydrophobicContact CE-CH2 4.48Å; M722-W764 HydrophobicContact CE-CZ3 4.06Å; M722-W764 HydrophobicContact SD-CH2 3.62Å; M722-W764 HydrophobicContact SD-CZ3 3.71Å; M722-F797 HydrophobicContact CG-CB 3.76Å; M722-F797 HydrophobicContact CG-CD1 3.73Å; M722-F797 HydrophobicContact CG-CE1 4.49Å; M722-F797 HydrophobicContact CG-CG 3.8Å
723	K	86.5	Confident	91.4	Very high	153 Å²	153	48.3 Å²	48.3	67%	0.665	27%	0.265	S	S	*	.			trans	-71.8	161.8	168.4	-63.3	176.5	-177.5	172.3	0	110.5	D725 E726 L727	K723-D725 VanDerWaalsContact C-N 3.28Å; K723-D725 PolarHBondContact O-N 2.86Å; K723-E726 HydrophobicContact CB-CG 4.22Å; K723-E726 PolarHBondContact N-OE2 3.14Å; K723-E726 PolarHBondContact O-N 2.83Å; K723-L727 PolarHBondContact O-N 3Å
724	D	81.5	Confident	91.4	Very high	100 Å²	100	47.5 Å²	47.5	54%	0.535	26%	0.262	S	S	.	.	H	α-helix	trans	-62.8	-34	-178.1	-82.7	-14.1	0	0	0	113.1	A728	D724-A728 PolarHBondContact O-N 2.87Å
725	D	89.4	Confident	91.2	Very high	140 Å²	140	51.9 Å²	51.9	75%	0.749	28%	0.281	S	S	*	.	H	α-helix	trans	-70.4	-39.5	175.5	-63.2	-26.8	0	0	0	111.9	K723 A728 S729	K723-D725 VanDerWaalsContact C-N 3.28Å; K723-D725 PolarHBondContact O-N 2.86Å; D725-A728 PolarHBondContact O-N 3.47Å; D725-S729 PolarHBondContact O-N 3.14Å
726	E	90.9	Very high	91.1	Very high	59 Å²	59	57.7 Å²	57.7	28%	0.276	31%	0.312	S	S	.	.	H	α-helix	trans	-64.3	-41.9	174.2	-67	173.3	152.1	0	0	111	M722 K723 A728 S729 F730	M722-E726 WeakPolarHBondContact CA-OE2 3.19Å; M722-E726 HydrophobicContact CB-CB 4.43Å; K723-E726 HydrophobicContact CB-CG 4.22Å; K723-E726 PolarHBondContact N-OE2 3.14Å; K723-E726 PolarHBondContact O-N 2.83Å; E726-A728 VanDerWaalsContact C-N 3.26Å; E726-A728 PolarHBondContact O-N 2.81Å; E726-S729 WeakPolarHBondContact CA-OG 3.32Å; E726-S729 PolarHBondContact O-N 2.96Å; E726-S729 PolarHBondContact O-OG 2.88Å; E726-F730 HydrophobicContact CB-CD2 4.46Å; E726-F730 HydrophobicContact CB-CE1 4.46Å; E726-F730 HydrophobicContact CB-CE2 3.91Å; E726-F730 HydrophobicContact CB-CZ 3.9Å; E726-F730 HydrophobicContact CG-CZ 4.42Å; E726-F730 WeakPolarHBondContact O-CB 3.32Å; E726-F730 WeakPolarHBondContact O-CD1 3.5Å; E726-F730 VanDerWaalsContact O-CD2 3.29Å; E726-F730 WeakPolarHBondContact O-CD2 3.43Å; E726-F730 WeakPolarHBondContact O-CG 3.34Å; E726-F730 PolarHBondContact O-N 3.48Å
727	L	87.5	Confident	91.2	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-60.2	-38.3	175.4	-78.6	169.9	0	0	0	112.4	R693 Y700 M722 K723 S731	R693-L727 VanDerWaalsContact CZ-CD1 3.46Å; Y700-L727 HydrophobicContact CE2-CD2 4.15Å; M722-L727 HydrophobicContact CB-CD2 3.99Å; M722-L727 HydrophobicContact CB-CG 3.82Å; M722-L727 HydrophobicContact CE-CD2 4.18Å; M722-L727 HydrophobicContact CG-CD2 4.47Å; M722-L727 HydrophobicContact SD-CD2 3.62Å; M722-L727 HydrophobicContact SD-CG 4.44Å; K723-L727 PolarHBondContact O-N 3Å; L727-S731 VanDerWaalsContact O-CB 3.28Å; L727-S731 WeakPolarHBondContact O-CB 3.48Å; L727-S731 PolarHBondContact O-N 3.17Å; L727-S731 VanDerWaalsContact O-N 3.08Å; L727-S731 PolarHBondContact O-OG 3.14Å
728	A	90.3	Very high	91.2	Very high	44 Å²	44	57.6 Å²	57.6	36%	0.364	32%	0.32	S	S	.	.	H	α-helix	trans	-68.4	-46.5	176.3	0	0	0	0	0	111.3	D724 D725 E726 S731 E732	D724-A728 PolarHBondContact O-N 2.87Å; D725-A728 PolarHBondContact O-N 3.47Å; E726-A728 VanDerWaalsContact C-N 3.26Å; E726-A728 PolarHBondContact O-N 2.81Å; A728-S731 PolarHBondContact O-N 3.33Å; A728-E732 PolarHBondContact O-N 3.42Å
729	S	94.2	Very high	91.4	Very high	63 Å²	63	58.1 Å²	58.1	44%	0.441	32%	0.324	S	S	.	.	H	α-helix	trans	-64.4	-43.7	179.7	70.1	0	0	0	0	112.2	D725 E726 S731 E732 F733	D725-S729 PolarHBondContact O-N 3.14Å; E726-S729 WeakPolarHBondContact CA-OG 3.32Å; E726-S729 PolarHBondContact O-N 2.96Å; E726-S729 PolarHBondContact O-OG 2.88Å; S729-S731 VanDerWaalsContact C-N 3.3Å; S729-S731 PolarHBondContact O-N 3.19Å; S729-E732 PolarHBondContact O-N 3.42Å; S729-F733 WeakPolarHBondContact O-CB 3.39Å; S729-F733 PolarHBondContact O-N 3.44Å
730	F	96	Very high	91.7	Very high	11 Å²	11	65.2 Å²	65.2	5%	0.048	36%	0.357	C	S	.	.	H	α-helix	trans	-63.7	-38.9	175.6	-59.8	-16.3	0	0	0	111.3	Y700 M722 E726 E732 F733 F734 W764 F797 I800	Y700-F730 HydrophobicContact CE1-CB 4.48Å; Y700-F730 VanDerWaalsContact OH-CB 3.29Å; Y700-F730 WeakPolarHBondContact OH-CB 3.11Å; M722-F730 HydrophobicContact CG-CD2 4.29Å; M722-F730 HydrophobicContact CG-CE2 3.85Å; M722-F730 HydrophobicContact SD-CD2 3.75Å; M722-F730 HydrophobicContact SD-CE2 3.88Å; E726-F730 HydrophobicContact CB-CD2 4.46Å; E726-F730 HydrophobicContact CB-CE1 4.46Å; E726-F730 HydrophobicContact CB-CE2 3.91Å; E726-F730 HydrophobicContact CB-CZ 3.9Å; E726-F730 HydrophobicContact CG-CZ 4.42Å; E726-F730 WeakPolarHBondContact O-CB 3.32Å; E726-F730 WeakPolarHBondContact O-CD1 3.5Å; E726-F730 VanDerWaalsContact O-CD2 3.29Å; E726-F730 WeakPolarHBondContact O-CD2 3.43Å; E726-F730 WeakPolarHBondContact O-CG 3.34Å; E726-F730 PolarHBondContact O-N 3.48Å; F730-E732 VanDerWaalsContact C-N 3.32Å; F730-E732 PolarHBondContact O-N 3.26Å; F730-F733 PolarHBondContact O-N 3.38Å; F730-F734 HydrophobicContact CB-CD2 4.4Å; F730-F734 VanDerWaalsContact O-CD2 3.25Å; F730-F734 WeakPolarHBondContact O-CD2 3.15Å; F730-F734 PolarHBondContact O-N 3.04Å; F730-W764 HydrophobicContact CB-CZ2 4.26Å; F730-W764 HydrophobicContact CD1-CZ2 4.35Å; F730-W764 AromaticContact CD2-CH2 3.49Å; F730-W764 HydrophobicContact CD2-CH2 3.49Å; F730-W764 VanDerWaalsContact CD2-CH2 3.49Å; F730-W764 AromaticContact CD2-CZ2 3.36Å; F730-W764 HydrophobicContact CD2-CZ2 3.36Å; F730-W764 AromaticContact CE2-CH2 3.89Å; F730-W764 HydrophobicContact CE2-CH2 3.89Å; F730-W764 AromaticContact CE2-CZ2 3.68Å; F730-W764 HydrophobicContact CE2-CZ2 3.68Å; F730-W764 HydrophobicContact CG-CH2 4.21Å; F730-W764 AromaticContact CG-CZ2 3.74Å; F730-W764 HydrophobicContact CG-CZ2 3.74Å; F730-W764 HydrophobicContact CZ-CZ2 4.33Å; F730-F797 HydrophobicContact CE2-CE1 4.09Å; F730-F797 HydrophobicContact CE2-CE2 4.24Å; F730-F797 AromaticContact CE2-CZ 3.92Å; F730-F797 HydrophobicContact CE2-CZ 3.92Å; F730-F797 AromaticContact CZ-CE1 3.95Å; F730-F797 HydrophobicContact CZ-CE1 3.95Å; F730-F797 HydrophobicContact CZ-CE2 4.18Å; F730-F797 AromaticContact CZ-CZ 3.58Å; F730-F797 HydrophobicContact CZ-CZ 3.58Å; F730-I800 HydrophobicContact CD1-CD1 4.27Å; F730-I800 HydrophobicContact CE1-CD1 3.43Å; F730-I800 VanDerWaalsContact CE1-CD1 3.43Å; F730-I800 HydrophobicContact CE1-CG1 4.19Å; F730-I800 HydrophobicContact CZ-CD1 3.99Å; F730-I800 HydrophobicContact CZ-CG1 4.29Å
731	S	94.2	Very high	92.2	Very high	2 Å²	2	69.7 Å²	69.7	1%	0.014	37%	0.37	C	S	.	.	H	α-helix	trans	-62.7	-41.5	177.3	-65.9	0	0	0	0	112.1	R696 Y697 Y700 L727 A728 S729 K735	R696-S731 WeakPolarHBondContact CB-OG 3.17Å; Y697-S731 PolarHBondContact N-OG 2.62Å; Y700-S731 PolarHBondContact OH-N 3.06Å; Y700-S731 PolarHBondContact OH-OG 3.31Å; L727-S731 VanDerWaalsContact O-CB 3.28Å; L727-S731 WeakPolarHBondContact O-CB 3.48Å; L727-S731 PolarHBondContact O-N 3.17Å; L727-S731 VanDerWaalsContact O-N 3.08Å; L727-S731 PolarHBondContact O-OG 3.14Å; A728-S731 PolarHBondContact O-N 3.33Å; S729-S731 VanDerWaalsContact C-N 3.3Å; S729-S731 PolarHBondContact O-N 3.19Å; S731-K735 WeakPolarHBondContact O-CG 2.86Å; S731-K735 PolarHBondContact O-N 2.92Å
732	E	95.1	Very high	92.7	Very high	102 Å²	102	68.4 Å²	68.4	48%	0.477	36%	0.355	S	S	.	.	H	α-helix	trans	-70.7	-41.7	177.7	-162.9	59.1	-157.3	0	0	112.1	A728 S729 F730 K735 N736	A728-E732 PolarHBondContact O-N 3.42Å; S729-E732 PolarHBondContact O-N 3.42Å; F730-E732 VanDerWaalsContact C-N 3.32Å; F730-E732 PolarHBondContact O-N 3.26Å; E732-K735 PolarHBondContact O-N 3.17Å; E732-K735 IonicContact OE2-NZ 2.64Å; E732-K735 PolarHBondContact OE2-NZ 2.97Å; E732-N736 PolarHBondContact O-ND2 2.87Å
733	F	97	Very high	93.2	Very high	66 Å²	66	70 Å²	70	29%	0.289	36%	0.362	S	S	.	.	H	α-helix	trans	-57.1	-55.7	175.1	177.8	-98.5	0	0	0	111.7	S729 F730 K735 N736 H737 V761 Q762	S729-F733 WeakPolarHBondContact O-CB 3.39Å; S729-F733 PolarHBondContact O-N 3.44Å; F730-F733 PolarHBondContact O-N 3.38Å; F733-K735 VanDerWaalsContact C-N 3.32Å; F733-K735 PolarHBondContact O-N 3.35Å; F733-N736 WeakPolarHBondContact O-CB 3.39Å; F733-N736 PolarHBondContact O-N 3.34Å; F733-H737 AromaticContact CE1-CD2 3.79Å; F733-H737 AromaticContact CE2-CD2 3.93Å; F733-H737 AromaticContact CE2-NE2 3.61Å; F733-H737 AromaticContact CZ-CD2 3.67Å; F733-H737 AromaticContact CZ-NE2 3.59Å; F733-H737 PolarHBondContact O-CD2 3.02Å; F733-H737 VanDerWaalsContact O-CD2 3.29Å; F733-V761 HydrophobicContact CE1-CG2 3.84Å; F733-V761 HydrophobicContact CZ-CG2 3.99Å; F733-Q762 HydrophobicContact CE1-CB 4.07Å
734	F	97.3	Very high	93.6	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-72.7	-19.6	-175.4	-76.3	-68.5	0	0	0	114.4	V683 Y697 Y700 F730 N736 H737 A738 F758 V761 Q762 W764	V683-F734 HydrophobicContact CB-CE1 3.81Å; V683-F734 HydrophobicContact CB-CE2 4.21Å; V683-F734 HydrophobicContact CB-CZ 3.43Å; V683-F734 VanDerWaalsContact CB-CZ 3.43Å; V683-F734 HydrophobicContact CG1-CD1 4.42Å; V683-F734 HydrophobicContact CG1-CD2 4.48Å; V683-F734 HydrophobicContact CG1-CE1 3.78Å; V683-F734 HydrophobicContact CG1-CE2 3.87Å; V683-F734 HydrophobicContact CG1-CZ 3.48Å; V683-F734 VanDerWaalsContact CG1-CZ 3.48Å; V683-F734 HydrophobicContact CG2-CE2 4.31Å; V683-F734 HydrophobicContact CG2-CZ 3.79Å; Y697-F734 HydrophobicContact CD2-CB 4.49Å; Y697-F734 HydrophobicContact CE2-CB 4.25Å; Y700-F734 HydrophobicContact CD1-CD2 4.24Å; Y700-F734 HydrophobicContact CD1-CE2 4.42Å; Y700-F734 AromaticContact CE1-CD2 3.68Å; Y700-F734 HydrophobicContact CE1-CD2 3.68Å; Y700-F734 HydrophobicContact CE1-CE2 4.18Å; Y700-F734 HydrophobicContact CE1-CG 4.46Å; F730-F734 HydrophobicContact CB-CD2 4.4Å; F730-F734 VanDerWaalsContact O-CD2 3.25Å; F730-F734 WeakPolarHBondContact O-CD2 3.15Å; F730-F734 PolarHBondContact O-N 3.04Å; F734-N736 PolarHBondContact O-N 3.34Å; F734-H737 CarbonylContact O-C 3.4Å; F734-H737 PolarHBondContact O-N 3.15Å; F734-H737 VanDerWaalsContact O-N 3.11Å; F734-A738 PolarHBondContact O-N 3.14Å; F734-A738 VanDerWaalsContact O-N 3.13Å; F734-F758 HydrophobicContact CB-CD1 3.9Å; F734-F758 HydrophobicContact CB-CD2 3.86Å; F734-F758 HydrophobicContact CB-CE1 3.72Å; F734-F758 HydrophobicContact CB-CE2 3.64Å; F734-F758 HydrophobicContact CB-CG 4.01Å; F734-F758 HydrophobicContact CB-CZ 3.6Å; F734-F758 HydrophobicContact CD1-CB 3.94Å; F734-F758 HydrophobicContact CD1-CD1 4.37Å; F734-F758 AromaticContact CD1-CD2 3.52Å; F734-F758 HydrophobicContact CD1-CD2 3.52Å; F734-F758 HydrophobicContact CD1-CE2 4.1Å; F734-F758 AromaticContact CD1-CG 3.7Å; F734-F758 HydrophobicContact CD1-CG 3.7Å; F734-F758 HydrophobicContact CD2-CE2 4.4Å; F734-F758 HydrophobicContact CE1-CD2 4.21Å; F734-F758 AromaticContact CG-CD2 3.73Å; F734-F758 HydrophobicContact CG-CD2 3.73Å; F734-F758 AromaticContact CG-CE2 3.8Å; F734-F758 HydrophobicContact CG-CE2 3.8Å; F734-F758 HydrophobicContact CG-CG 4.13Å; F734-F758 HydrophobicContact CG-CZ 4.29Å; F734-F758 WeakPolarHBondContact O-CD1 3.28Å; F734-V761 HydrophobicContact CE1-CG2 4.24Å; F734-Q762 HydrophobicContact CE1-CB 4.39Å; F734-Q762 HydrophobicContact CZ-CB 3.96Å; F734-W764 AromaticContact CE2-CZ2 3.91Å; F734-W764 HydrophobicContact CE2-CZ2 3.91Å
735	K	94.8	Very high	94.3	Very high	93 Å²	93	67.6 Å²	67.6	40%	0.404	36%	0.357	S	S	.	.	H	α-helix	trans	-58.7	-37.2	167.4	-80.6	172.2	-162.3	167.2	0	111.6	Y697 S731 E732 F733 H737 A738	Y697-K735 HydrophobicContact CE2-CG 4.05Å; S731-K735 WeakPolarHBondContact O-CG 2.86Å; S731-K735 PolarHBondContact O-N 2.92Å; E732-K735 PolarHBondContact O-N 3.17Å; E732-K735 IonicContact OE2-NZ 2.64Å; E732-K735 PolarHBondContact OE2-NZ 2.97Å; F733-K735 VanDerWaalsContact C-N 3.32Å; F733-K735 PolarHBondContact O-N 3.35Å; K735-H737 PolarHBondContact O-N 3.42Å; K735-A738 WeakPolarHBondContact O-CB 3.33Å; K735-A738 PolarHBondContact O-N 3.33Å
736	N	95.8	Very high	94.8	Very high	122 Å²	122	61.2 Å²	61.2	65%	0.652	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-10.4	178.4	-62.3	-39.2	0	0	0	113.2	E732 F733 F734	E732-N736 PolarHBondContact O-ND2 2.87Å; F733-N736 WeakPolarHBondContact O-CB 3.39Å; F733-N736 PolarHBondContact O-N 3.34Å; F734-N736 PolarHBondContact O-N 3.34Å
737	H	96.7	Very high	95	Very high	59 Å²	59	61.4 Å²	61.4	27%	0.273	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	20.9	177.2	-63.8	-73.1	0	0	0	112	F733 F734 K735 F758 E759 V761	F733-H737 AromaticContact CE1-CD2 3.79Å; F733-H737 AromaticContact CE2-CD2 3.93Å; F733-H737 AromaticContact CE2-NE2 3.61Å; F733-H737 AromaticContact CZ-CD2 3.67Å; F733-H737 AromaticContact CZ-NE2 3.59Å; F733-H737 PolarHBondContact O-CD2 3.02Å; F733-H737 VanDerWaalsContact O-CD2 3.29Å; F734-H737 CarbonylContact O-C 3.4Å; F734-H737 PolarHBondContact O-N 3.15Å; F734-H737 VanDerWaalsContact O-N 3.11Å; K735-H737 PolarHBondContact O-N 3.42Å; H737-F758 CarbonylContact O-C 3.43Å; H737-F758 VanDerWaalsContact O-CA 3.25Å; H737-F758 WeakPolarHBondContact O-CA 3.48Å; H737-E759 HydrophobicContact CB-CB 4.38Å; H737-E759 PolarHBondContact O-N 2.76Å; H737-V761 HydrophobicContact CB-CG2 4.03Å
738	A	96.1	Very high	95.4	Very high	44 Å²	44	65.1 Å²	65.1	36%	0.364	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	139.8	-179.8	0	0	0	0	0	112.2	F734 K735 Q756 W757	F734-A738 PolarHBondContact O-N 3.14Å; F734-A738 VanDerWaalsContact O-N 3.13Å; K735-A738 WeakPolarHBondContact O-CB 3.33Å; K735-A738 PolarHBondContact O-N 3.33Å; A738-Q756 HydrophobicContact CB-CG 3.82Å; A738-W757 CarbonylContact C-O 3.37Å; A738-W757 WeakPolarHBondContact CA-O 3.49Å
739	T	95.5	Very high	95.6	Very high	14 Å²	14	63.9 Å²	63.9	9%	0.086	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	141.9	175.7	60	0	0	0	0	110.7	K741 Q756 W757 E759	T739-K741 PolarHBondContact O-N 3.3Å; T739-K741 PolarHBondContact OG1-O 2.9Å; T739-Q756 PolarHBondContact O-NE2 3.36Å; T739-W757 PolarHBondContact N-O 3.41Å; T739-W757 WeakPolarHBondContact OG1-CB 3.45Å; T739-W757 PolarHBondContact OG1-O 3.09Å; T739-E759 HydrophobicContact CG2-CG 3.69Å; T739-E759 WeakPolarHBondContact CG2-OE1 3.28Å
740	D	91.9	Very high	95.4	Very high	170 Å²	170	68.3 Å²	68.3	91%	0.909	34%	0.343	S	S	*	.	S	Bend	trans	-67.3	-25.4	-175.6	-67.2	-31.1	0	0	0	113.4
741	K	94.3	Very high	94.9	Very high	163 Å²	163	72 Å²	72	71%	0.709	37%	0.37	S	S	*	.	S	Bend	trans	-144.1	155.2	-176.5	64	-178.4	-178.2	-179	0	110.6	T739	T739-K741 PolarHBondContact O-N 3.3Å; T739-K741 PolarHBondContact OG1-O 2.9Å
742	A	95.4	Very high	94.6	Very high	16 Å²	16	73.2 Å²	73.2	13%	0.132	38%	0.376	C	S	.	.			trans	-52.9	141.8	170.9	0	0	0	0	0	110.7	Y746 Y748 W757	A742-Y746 HydrophobicContact CB-CD2 4.33Å; A742-Y748 HydrophobicContact CB-CD1 4.42Å; A742-Y748 HydrophobicContact CB-CE1 3.47Å; A742-Y748 VanDerWaalsContact CB-CE1 3.47Å; A742-W757 HydrophobicContact CB-CD2 3.78Å; A742-W757 HydrophobicContact CB-CE3 4.07Å; A742-W757 HydrophobicContact CB-CG 4.35Å; A742-W757 HydrophobicContact CB-CH2 4.02Å; A742-W757 HydrophobicContact CB-CZ2 3.7Å; A742-W757 HydrophobicContact CB-CZ3 4.19Å; A742-W757 VanDerWaalsContact N-CD1 3.35Å
743	K	96.5	Very high	94.6	Very high	50 Å²	50	72.6 Å²	72.6	22%	0.217	38%	0.375	C	S	.	.			trans	-65.6	148.5	170.5	-63.9	-66.8	-178.3	161	0	110.3	Y745 Y746 E759	K743-Y745 HydrophobicContact CB-CD1 4.2Å; K743-Y745 HydrophobicContact CB-CD2 4.03Å; K743-Y745 HydrophobicContact CB-CE1 3.84Å; K743-Y745 HydrophobicContact CB-CE2 3.67Å; K743-Y745 HydrophobicContact CB-CG 4.29Å; K743-Y745 HydrophobicContact CD-CE1 4.31Å; K743-Y745 HydrophobicContact CG-CE1 4.3Å; K743-Y745 HydrophobicContact CG-CE2 4.02Å; K743-Y745 PolarHBondContact O-N 3.44Å; K743-Y746 HydrophobicContact CB-CD1 3.87Å; K743-Y746 HydrophobicContact CB-CD2 3.95Å; K743-Y746 HydrophobicContact CB-CE1 3.93Å; K743-Y746 HydrophobicContact CB-CE2 3.98Å; K743-Y746 HydrophobicContact CB-CG 3.9Å; K743-Y746 HydrophobicContact CG-CD2 4.32Å; K743-Y746 HydrophobicContact CG-CE1 4.13Å; K743-Y746 HydrophobicContact CG-CE2 3.86Å; K743-Y746 WeakPolarHBondContact O-CB 3.44Å; K743-Y746 PolarHBondContact O-N 3.09Å; K743-E759 WeakPolarHBondContact CE-OE1 3.33Å; K743-E759 WeakPolarHBondContact CE-OE2 3.16Å; K743-E759 IonicContact NZ-OE1 3.26Å; K743-E759 PolarHBondContact NZ-OE1 3.39Å; K743-E759 IonicContact NZ-OE2 2.83Å; K743-E759 PolarHBondContact NZ-OE2 2.82Å
744	P	95.6	Very high	94.5	Very high	118 Å²	118	69.8 Å²	69.8	77%	0.766	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-33	179.3	-25.8	35.3	0	0	0	113.5	Y746	P744-Y746 VanDerWaalsContact C-N 3.28Å; P744-Y746 PolarHBondContact O-N 2.89Å
745	Y	96.9	Very high	94.3	Very high	83 Å²	83	73.4 Å²	73.4	33%	0.325	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	19.6	179.5	50.6	-98	0	0	0	113.3	E711 Y712 K743 P760	E711-Y745 CarbonylContact C-O 3.41Å; E711-Y745 WeakPolarHBondContact CA-O 3.48Å; Y712-Y745 AromaticContact CD2-CD2 3.74Å; Y712-Y745 HydrophobicContact CD2-CD2 3.74Å; Y712-Y745 AromaticContact CD2-CE2 3.94Å; Y712-Y745 HydrophobicContact CD2-CE2 3.94Å; Y712-Y745 AromaticContact CE2-CD2 3.97Å; Y712-Y745 HydrophobicContact CE2-CD2 3.97Å; Y712-Y745 AromaticContact CE2-CE2 3.86Å; Y712-Y745 HydrophobicContact CE2-CE2 3.86Å; Y712-Y745 PolarHBondContact N-O 3.48Å; K743-Y745 HydrophobicContact CB-CD1 4.2Å; K743-Y745 HydrophobicContact CB-CD2 4.03Å; K743-Y745 HydrophobicContact CB-CE1 3.84Å; K743-Y745 HydrophobicContact CB-CE2 3.67Å; K743-Y745 HydrophobicContact CB-CG 4.29Å; K743-Y745 HydrophobicContact CD-CE1 4.31Å; K743-Y745 HydrophobicContact CG-CE1 4.3Å; K743-Y745 HydrophobicContact CG-CE2 4.02Å; K743-Y745 PolarHBondContact O-N 3.44Å; Y745-P760 HydrophobicContact CE2-CG 4.28Å
746	Y	98.1	Very high	94.4	Very high	6 Å²	6	70.8 Å²	70.8	2%	0.024	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	122	171.6	-71.3	-5.2	0	0	0	110.7	I684 Y712 A742 K743 P744 Y748 W757 F758 P760	I684-Y746 HydrophobicContact CB-CD2 4.35Å; I684-Y746 HydrophobicContact CB-CE1 4.39Å; I684-Y746 HydrophobicContact CB-CE2 3.8Å; I684-Y746 HydrophobicContact CD1-CD2 4.35Å; I684-Y746 HydrophobicContact CD1-CG 4.41Å; I684-Y746 HydrophobicContact CG2-CE1 3.91Å; I684-Y746 HydrophobicContact CG2-CE2 4.21Å; Y712-Y746 AromaticContact CD2-CD1 3.86Å; Y712-Y746 HydrophobicContact CD2-CD1 3.86Å; Y712-Y746 AromaticContact CD2-CE1 3.53Å; Y712-Y746 HydrophobicContact CD2-CE1 3.53Å; Y712-Y746 HydrophobicContact CE2-CE1 4.33Å; Y712-Y746 HydrophobicContact CG-CD1 4.31Å; Y712-Y746 HydrophobicContact CG-CE1 4.13Å; A742-Y746 HydrophobicContact CB-CD2 4.33Å; K743-Y746 HydrophobicContact CB-CD1 3.87Å; K743-Y746 HydrophobicContact CB-CD2 3.95Å; K743-Y746 HydrophobicContact CB-CE1 3.93Å; K743-Y746 HydrophobicContact CB-CE2 3.98Å; K743-Y746 HydrophobicContact CB-CG 3.9Å; K743-Y746 HydrophobicContact CG-CD2 4.32Å; K743-Y746 HydrophobicContact CG-CE1 4.13Å; K743-Y746 HydrophobicContact CG-CE2 3.86Å; K743-Y746 WeakPolarHBondContact O-CB 3.44Å; K743-Y746 PolarHBondContact O-N 3.09Å; P744-Y746 VanDerWaalsContact C-N 3.28Å; P744-Y746 PolarHBondContact O-N 2.89Å; Y746-Y748 WeakPolarHBondContact O-CD1 3.2Å; Y746-W757 AromaticContact CD2-CE3 3.87Å; Y746-W757 HydrophobicContact CD2-CE3 3.87Å; Y746-W757 AromaticContact CD2-CZ3 3.98Å; Y746-W757 HydrophobicContact CD2-CZ3 3.98Å; Y746-W757 HydrophobicContact CE2-CE3 4.19Å; Y746-F758 PolarHBondContact OH-O 3.25Å; Y746-P760 HydrophobicContact CE1-CB 4.45Å; Y746-P760 HydrophobicContact CE1-CG 4.34Å; Y746-P760 WeakPolarHBondContact OH-CD 3.16Å; Y746-P760 VanDerWaalsContact OH-N 3.14Å
747	Q	96.9	Very high	94.5	Very high	63 Å²	63	65.8 Å²	65.8	29%	0.294	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	111.9	175.5	-68.9	-59.4	-25.4	0	0	111.7	E711 Y712 Q713 T714 K778	E711-Q747 HydrophobicContact CB-CG 4.04Å; E711-Q747 HydrophobicContact CG-CG 4.31Å; E711-Q747 PolarHBondContact OE1-NE2 3.35Å; E711-Q747 WeakPolarHBondContact OE2-CG 3.43Å; E711-Q747 PolarHBondContact OE2-NE2 3.09Å; E711-Q747 VanDerWaalsContact OE2-NE2 3.15Å; Y712-Q747 PolarHBondContact O-N 2.88Å; Q713-Q747 HydrophobicContact CB-CB 4.45Å; Q713-Q747 HydrophobicContact CG-CB 4.15Å; T714-Q747 WeakPolarHBondContact CG2-O 3.41Å; T714-Q747 PolarHBondContact N-O 3.17Å; T714-Q747 PolarHBondContact OG1-O 2.83Å; T714-Q747 VanDerWaalsContact OG1-O 3.08Å; Q747-K778 HydrophobicContact CB-CB 3.99Å; Q747-K778 HydrophobicContact CB-CG 4.36Å
748	Y	96	Very high	94.6	Very high	78 Å²	78	63 Å²	63	31%	0.306	33%	0.331	S	S	.	.			trans	-145.6	165.6	-176.1	64.4	-83.8	0	0	0	112	A742 Y746 I753 W757	A742-Y748 HydrophobicContact CB-CD1 4.42Å; A742-Y748 HydrophobicContact CB-CE1 3.47Å; A742-Y748 VanDerWaalsContact CB-CE1 3.47Å; Y746-Y748 WeakPolarHBondContact O-CD1 3.2Å; Y748-I753 HydrophobicContact CD2-CG1 4.23Å; Y748-I753 HydrophobicContact CE2-CD1 4.46Å; Y748-I753 HydrophobicContact CE2-CG1 3.9Å; Y748-W757 AromaticContact CD1-CH2 3.63Å; Y748-W757 HydrophobicContact CD1-CH2 3.63Å; Y748-W757 HydrophobicContact CD1-CZ2 4.29Å; Y748-W757 HydrophobicContact CD1-CZ3 4.36Å; Y748-W757 AromaticContact CD2-CH2 3.74Å; Y748-W757 HydrophobicContact CD2-CH2 3.74Å; Y748-W757 HydrophobicContact CD2-CZ2 4Å; Y748-W757 AromaticContact CE1-CH2 3.82Å; Y748-W757 HydrophobicContact CE1-CH2 3.82Å; Y748-W757 HydrophobicContact CE1-CZ2 4.04Å; Y748-W757 AromaticContact CE2-CH2 3.91Å; Y748-W757 HydrophobicContact CE2-CH2 3.91Å; Y748-W757 AromaticContact CE2-CZ2 3.72Å; Y748-W757 HydrophobicContact CE2-CZ2 3.72Å; Y748-W757 AromaticContact CG-CH2 3.61Å; Y748-W757 HydrophobicContact CG-CH2 3.61Å; Y748-W757 HydrophobicContact CG-CZ2 4.28Å; Y748-W757 AromaticContact CZ-CH2 3.95Å; Y748-W757 AromaticContact CZ-CZ2 3.74Å
749	T	92.8	Very high	94.6	Very high	19 Å²	19	63.6 Å²	63.6	12%	0.117	33%	0.327	C	S	.	.			trans	-101.5	151.2	172.6	68	0	0	0	0	111	S751 L752 G776 K778	T749-S751 PolarHBondContact O-N 3.46Å; T749-S751 PolarHBondContact OG1-OG 3Å; T749-L752 PolarHBondContact O-N 2.84Å; T749-G776 WeakPolarHBondContact CB-O 3.35Å; T749-G776 WeakPolarHBondContact CG2-O 3.23Å; T749-G776 PolarHBondContact OG1-O 3.19Å; T749-K778 HydrophobicContact CG2-CG 4.33Å
750	I	90.1	Very high	94.7	Very high	155 Å²	155	63.7 Å²	63.7	80%	0.795	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-56.8	-21.8	176.7	60.4	168.4	0	0	0	113.6	L752	I750-L752 VanDerWaalsContact C-N 3.27Å; I750-L752 PolarHBondContact O-N 3.29Å
751	S	85.7	Confident	95	Very high	88 Å²	88	58.4 Å²	58.4	62%	0.615	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-75.1	-13.4	177.4	39.4	0	0	0	0	114.4	T749	T749-S751 PolarHBondContact O-N 3.46Å; T749-S751 PolarHBondContact OG1-OG 3Å
752	L	88.4	Confident	95.2	Very high	28 Å²	28	51.9 Å²	51.9	15%	0.147	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-121.5	21	-174.5	-67.2	-175.5	0	0	0	113.5	L701 T749 I750 P754 G776 H777	L701-L752 HydrophobicContact CD1-CB 4.43Å; L701-L752 HydrophobicContact CD1-CD1 4.41Å; T749-L752 PolarHBondContact O-N 2.84Å; I750-L752 VanDerWaalsContact C-N 3.27Å; I750-L752 PolarHBondContact O-N 3.29Å; L752-P754 VanDerWaalsContact O-CD 3.31Å; L752-P754 WeakPolarHBondContact O-CD 3.44Å; L752-P754 VanDerWaalsContact O-N 3.13Å; L752-G776 WeakPolarHBondContact CD1-O 3.29Å; L752-H777 WeakPolarHBondContact CD1-CE1 3.34Å; L752-H777 WeakPolarHBondContact CD1-ND1 3.4Å
753	I	93.9	Very high	95.3	Very high	89 Å²	89	51.2 Å²	51.2	46%	0.456	27%	0.267	S	S	.	.			trans	-59.6	119.3	173.8	-62.4	174.5	0	0	0	108.4	Y748 W757	Y748-I753 HydrophobicContact CD2-CG1 4.23Å; Y748-I753 HydrophobicContact CE2-CD1 4.46Å; Y748-I753 HydrophobicContact CE2-CG1 3.9Å; I753-W757 HydrophobicContact CG2-CZ2 4.28Å
754	P	95.1	Very high	95.4	Very high	7 Å²	7	48.8 Å²	48.8	5%	0.045	26%	0.257	C	S	.	.			trans	-70.7	164.1	174.9	32.7	-33.7	0	0	0	110.8	G686 F687 L701 L752 Q756 W757	G686-P754 WeakPolarHBondContact O-CB 3.07Å; F687-P754 HydrophobicContact CE1-CB 4.23Å; F687-P754 HydrophobicContact CE2-CB 4.37Å; F687-P754 HydrophobicContact CZ-CB 4.14Å; L701-P754 HydrophobicContact CD2-CG 4.27Å; L752-P754 VanDerWaalsContact O-CD 3.31Å; L752-P754 WeakPolarHBondContact O-CD 3.44Å; L752-P754 VanDerWaalsContact O-N 3.13Å; P754-Q756 VanDerWaalsContact C-N 3.27Å; P754-Q756 WeakPolarHBondContact CB-O 3.37Å; P754-W757 VanDerWaalsContact CD-CH2 3.45Å; P754-W757 HydrophobicContact CG-CD2 3.6Å; P754-W757 HydrophobicContact CG-CE3 3.69Å; P754-W757 HydrophobicContact CG-CG 4.19Å; P754-W757 HydrophobicContact CG-CH2 4.01Å; P754-W757 HydrophobicContact CG-CZ2 3.95Å; P754-W757 HydrophobicContact CG-CZ3 3.89Å
755	D	94	Very high	95.5	Very high	76 Å²	76	44.2 Å²	44.2	41%	0.406	23%	0.225	S	C	.	.	S	Bend	trans	-70.6	-30.6	174.1	-64.7	-67.2	0	0	0	111.3	G686 F687 Y688	G686-D755 PolarHBondContact O-N 3.03Å; F687-D755 VanDerWaalsContact CA-OD2 3.3Å; F687-D755 WeakPolarHBondContact CA-OD2 3.28Å; Y688-D755 HydrophobicContact CD2-CB 3.36Å; Y688-D755 HydrophobicContact CE2-CB 3.51Å; Y688-D755 HydrophobicContact CG-CB 4.04Å; Y688-D755 PolarHBondContact N-OD2 2.62Å
756	Q	96.1	Very high	95.3	Very high	38 Å²	38	40.3 Å²	40.3	18%	0.178	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	131.3	175.6	-172	62.6	62.6	0	0	110.2	G685 G686 Y697 A738 T739 P754 F758	G685-Q756 CarbonylContact C-O 2.98Å; G685-Q756 VanDerWaalsContact CA-O 3.26Å; G685-Q756 WeakPolarHBondContact CA-O 3.27Å; G686-Q756 PolarHBondContact N-O 3.2Å; G686-Q756 PolarHBondContact O-N 2.85Å; G686-Q756 VanDerWaalsContact O-N 3.08Å; Y697-Q756 HydrophobicContact CE1-CB 3.78Å; Y697-Q756 HydrophobicContact CE1-CG 4.39Å; Y697-Q756 WeakPolarHBondContact OH-CG 3.2Å; A738-Q756 HydrophobicContact CB-CG 3.82Å; T739-Q756 PolarHBondContact O-NE2 3.36Å; P754-Q756 VanDerWaalsContact C-N 3.27Å; P754-Q756 WeakPolarHBondContact CB-O 3.37Å; Q756-F758 HydrophobicContact CB-CE1 3.9Å; Q756-F758 HydrophobicContact CB-CZ 4.37Å; Q756-F758 HydrophobicContact CG-CD1 4.05Å; Q756-F758 HydrophobicContact CG-CE1 3.5Å; Q756-F758 HydrophobicContact CG-CZ 4.42Å
757	W	98	Very high	94.9	Very high	18 Å²	18	42.8 Å²	42.8	7%	0.068	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	150.1	168.8	-67	100.5	0	0	0	110.3	I684 L701 A738 T739 A742 Y746 Y748 I753 P754	I684-W757 HydrophobicContact CD1-CZ3 4.42Å; L701-W757 HydrophobicContact CD2-CH2 4.25Å; L701-W757 HydrophobicContact CD2-CZ3 4Å; A738-W757 CarbonylContact C-O 3.37Å; A738-W757 WeakPolarHBondContact CA-O 3.49Å; T739-W757 PolarHBondContact N-O 3.41Å; T739-W757 WeakPolarHBondContact OG1-CB 3.45Å; T739-W757 PolarHBondContact OG1-O 3.09Å; A742-W757 HydrophobicContact CB-CD2 3.78Å; A742-W757 HydrophobicContact CB-CE3 4.07Å; A742-W757 HydrophobicContact CB-CG 4.35Å; A742-W757 HydrophobicContact CB-CH2 4.02Å; A742-W757 HydrophobicContact CB-CZ2 3.7Å; A742-W757 HydrophobicContact CB-CZ3 4.19Å; A742-W757 VanDerWaalsContact N-CD1 3.35Å; Y746-W757 AromaticContact CD2-CE3 3.87Å; Y746-W757 HydrophobicContact CD2-CE3 3.87Å; Y746-W757 AromaticContact CD2-CZ3 3.98Å; Y746-W757 HydrophobicContact CD2-CZ3 3.98Å; Y746-W757 HydrophobicContact CE2-CE3 4.19Å; Y748-W757 AromaticContact CD1-CH2 3.63Å; Y748-W757 HydrophobicContact CD1-CH2 3.63Å; Y748-W757 HydrophobicContact CD1-CZ2 4.29Å; Y748-W757 HydrophobicContact CD1-CZ3 4.36Å; Y748-W757 AromaticContact CD2-CH2 3.74Å; Y748-W757 HydrophobicContact CD2-CH2 3.74Å; Y748-W757 HydrophobicContact CD2-CZ2 4Å; Y748-W757 AromaticContact CE1-CH2 3.82Å; Y748-W757 HydrophobicContact CE1-CH2 3.82Å; Y748-W757 HydrophobicContact CE1-CZ2 4.04Å; Y748-W757 AromaticContact CE2-CH2 3.91Å; Y748-W757 HydrophobicContact CE2-CH2 3.91Å; Y748-W757 AromaticContact CE2-CZ2 3.72Å; Y748-W757 HydrophobicContact CE2-CZ2 3.72Å; Y748-W757 AromaticContact CG-CH2 3.61Å; Y748-W757 HydrophobicContact CG-CH2 3.61Å; Y748-W757 HydrophobicContact CG-CZ2 4.28Å; Y748-W757 AromaticContact CZ-CH2 3.95Å; Y748-W757 AromaticContact CZ-CZ2 3.74Å; I753-W757 HydrophobicContact CG2-CZ2 4.28Å; P754-W757 VanDerWaalsContact CD-CH2 3.45Å; P754-W757 HydrophobicContact CG-CD2 3.6Å; P754-W757 HydrophobicContact CG-CE3 3.69Å; P754-W757 HydrophobicContact CG-CG 4.19Å; P754-W757 HydrophobicContact CG-CH2 4.01Å; P754-W757 HydrophobicContact CG-CZ2 3.95Å; P754-W757 HydrophobicContact CG-CZ3 3.89Å
758	F	98.4	Very high	94.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	157.5	177.4	-55.7	-39.8	0	0	0	111.1	V683 I684 G685 G686 Y697 Y700 F734 H737 Y746 Q756	V683-F758 HydrophobicContact CG1-CD2 4.07Å; I684-F758 PolarHBondContact O-N 2.76Å; G685-F758 VanDerWaalsContact C-CD2 3.41Å; G685-F758 VanDerWaalsContact CA-CD2 3.42Å; G685-F758 WeakPolarHBondContact O-CE2 3.33Å; G686-F758 VanDerWaalsContact CA-CE2 3.46Å; Y697-F758 HydrophobicContact CD1-CZ 4.22Å; Y697-F758 HydrophobicContact CD2-CE1 4.41Å; Y697-F758 HydrophobicContact CD2-CE2 4.46Å; Y697-F758 AromaticContact CD2-CZ 3.64Å; Y697-F758 HydrophobicContact CD2-CZ 3.64Å; Y697-F758 HydrophobicContact CE1-CE1 4.32Å; Y697-F758 AromaticContact CE1-CZ 3.99Å; Y697-F758 HydrophobicContact CE1-CZ 3.99Å; Y697-F758 AromaticContact CE2-CE1 3.73Å; Y697-F758 HydrophobicContact CE2-CE1 3.73Å; Y697-F758 AromaticContact CE2-CZ 3.42Å; Y697-F758 HydrophobicContact CE2-CZ 3.42Å; Y697-F758 VanDerWaalsContact CE2-CZ 3.42Å; Y697-F758 HydrophobicContact CG-CZ 4.08Å; Y697-F758 AromaticContact CZ-CE1 3.69Å; Y697-F758 AromaticContact CZ-CZ 3.61Å; Y700-F758 AromaticContact CD1-CE2 3.99Å; Y700-F758 HydrophobicContact CD1-CE2 3.99Å; Y700-F758 HydrophobicContact CE1-CE2 4.14Å; F734-F758 HydrophobicContact CB-CD1 3.9Å; F734-F758 HydrophobicContact CB-CD2 3.86Å; F734-F758 HydrophobicContact CB-CE1 3.72Å; F734-F758 HydrophobicContact CB-CE2 3.64Å; F734-F758 HydrophobicContact CB-CG 4.01Å; F734-F758 HydrophobicContact CB-CZ 3.6Å; F734-F758 HydrophobicContact CD1-CB 3.94Å; F734-F758 HydrophobicContact CD1-CD1 4.37Å; F734-F758 AromaticContact CD1-CD2 3.52Å; F734-F758 HydrophobicContact CD1-CD2 3.52Å; F734-F758 HydrophobicContact CD1-CE2 4.1Å; F734-F758 AromaticContact CD1-CG 3.7Å; F734-F758 HydrophobicContact CD1-CG 3.7Å; F734-F758 HydrophobicContact CD2-CE2 4.4Å; F734-F758 HydrophobicContact CE1-CD2 4.21Å; F734-F758 AromaticContact CG-CD2 3.73Å; F734-F758 HydrophobicContact CG-CD2 3.73Å; F734-F758 AromaticContact CG-CE2 3.8Å; F734-F758 HydrophobicContact CG-CE2 3.8Å; F734-F758 HydrophobicContact CG-CG 4.13Å; F734-F758 HydrophobicContact CG-CZ 4.29Å; F734-F758 WeakPolarHBondContact O-CD1 3.28Å; H737-F758 CarbonylContact O-C 3.43Å; H737-F758 VanDerWaalsContact O-CA 3.25Å; H737-F758 WeakPolarHBondContact O-CA 3.48Å; Y746-F758 PolarHBondContact OH-O 3.25Å; Q756-F758 HydrophobicContact CB-CE1 3.9Å; Q756-F758 HydrophobicContact CB-CZ 4.37Å; Q756-F758 HydrophobicContact CG-CD1 4.05Å; Q756-F758 HydrophobicContact CG-CE1 3.5Å; Q756-F758 HydrophobicContact CG-CZ 4.42Å
759	E	97.8	Very high	93.4	Very high	56 Å²	56	37.1 Å²	37.1	26%	0.262	20%	0.201	S	C	.	.			trans	-65.9	145.8	161.1	-65.3	-66	164.3	0	0	109.9	H737 T739 K743 V761	H737-E759 HydrophobicContact CB-CB 4.38Å; H737-E759 PolarHBondContact O-N 2.76Å; T739-E759 HydrophobicContact CG2-CG 3.69Å; T739-E759 WeakPolarHBondContact CG2-OE1 3.28Å; K743-E759 WeakPolarHBondContact CE-OE1 3.33Å; K743-E759 WeakPolarHBondContact CE-OE2 3.16Å; K743-E759 IonicContact NZ-OE1 3.26Å; K743-E759 PolarHBondContact NZ-OE1 3.39Å; K743-E759 IonicContact NZ-OE2 2.83Å; K743-E759 PolarHBondContact NZ-OE2 2.82Å; E759-V761 HydrophobicContact CB-CG1 3.65Å; E759-V761 PolarHBondContact O-N 2.9Å
760	P	97.3	Very high	92.8	Very high	17 Å²	17	37 Å²	37	11%	0.11	20%	0.2	C	C	.	.	S	Bend	trans	-77.2	89.9	175.9	31.6	-26.3	0	0	0	108	V682 Y712 Y745 Y746 P806	V682-P760 HydrophobicContact CG1-CB 3.64Å; Y712-P760 HydrophobicContact CD2-CB 4.35Å; Y712-P760 HydrophobicContact CE2-CB 3.86Å; Y712-P760 HydrophobicContact CE2-CG 3.85Å; Y745-P760 HydrophobicContact CE2-CG 4.28Å; Y746-P760 HydrophobicContact CE1-CB 4.45Å; Y746-P760 HydrophobicContact CE1-CG 4.34Å; Y746-P760 WeakPolarHBondContact OH-CD 3.16Å; Y746-P760 VanDerWaalsContact OH-N 3.14Å; P760-P806 HydrophobicContact CB-CB 4.29Å; P760-P806 WeakPolarHBondContact O-CG 3.15Å
761	V	97.5	Very high	92.7	Very high	58 Å²	58	30.2 Å²	30.2	35%	0.352	17%	0.165	S	C	.	.			trans	-124	-7.9	-172.4	-65.7	0	0	0	0	114.3	F733 F734 H737 E759	F733-V761 HydrophobicContact CE1-CG2 3.84Å; F733-V761 HydrophobicContact CZ-CG2 3.99Å; F734-V761 HydrophobicContact CE1-CG2 4.24Å; H737-V761 HydrophobicContact CB-CG2 4.03Å; E759-V761 HydrophobicContact CB-CG1 3.65Å; E759-V761 PolarHBondContact O-N 2.9Å
762	Q	97.8	Very high	92.7	Very high	27 Å²	27	26.8 Å²	26.8	13%	0.126	14%	0.141	C	C	.	.			trans	-146	131.8	-175	-170.8	173	77.2	0	0	111.3	V683 F733 F734 I800	V683-Q762 PolarHBondContact N-O 3.3Å; V683-Q762 VanDerWaalsContact N-O 3.14Å; F733-Q762 HydrophobicContact CE1-CB 4.07Å; F734-Q762 HydrophobicContact CE1-CB 4.39Å; F734-Q762 HydrophobicContact CZ-CB 3.96Å; Q762-I800 HydrophobicContact CG-CG2 3.91Å
763	V	98.5	Very high	92.9	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	133.2	176.5	-174.8	0	0	0	0	109.1	D680 L681 V682 R801 K804 K805	D680-V763 HydrophobicContact CB-CG1 3.77Å; L681-V763 CarbonylContact O-C 3.4Å; L681-V763 WeakPolarHBondContact O-CA 3.48Å; V682-V763 HydrophobicContact CG2-CG2 4.36Å; V763-R801 HydrophobicContact CB-CB 4.11Å; V763-R801 HydrophobicContact CG1-CB 4.08Å; V763-R801 HydrophobicContact CG1-CG 4.48Å; V763-R801 PolarHBondContact O-N 3.28Å; V763-K804 HydrophobicContact CB-CB 4.3Å; V763-K804 HydrophobicContact CG1-CB 4.36Å; V763-K804 HydrophobicContact CG2-CB 4.26Å; V763-K805 WeakPolarHBondContact CG2-O 3.48Å
764	W	98.2	Very high	92.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	134.8	176.3	-72.5	5.2	0	0	0	110	D680 L681 V683 Y700 L702 I718 M722 F730 F734 V766 F797	D680-W764 WeakPolarHBondContact CA-O 3.44Å; L681-W764 PolarHBondContact N-O 2.97Å; L681-W764 PolarHBondContact O-N 2.8Å; V683-W764 HydrophobicContact CG2-CD2 3.5Å; V683-W764 HydrophobicContact CG2-CE3 3.97Å; V683-W764 HydrophobicContact CG2-CG 3.79Å; V683-W764 HydrophobicContact CG2-CH2 4.45Å; V683-W764 HydrophobicContact CG2-CZ2 4.05Å; V683-W764 HydrophobicContact CG2-CZ3 4.41Å; Y700-W764 HydrophobicContact CD1-CH2 4.18Å; Y700-W764 AromaticContact CD2-CH2 3.6Å; Y700-W764 HydrophobicContact CD2-CH2 3.6Å; Y700-W764 AromaticContact CD2-CZ3 3.94Å; Y700-W764 HydrophobicContact CD2-CZ3 3.94Å; Y700-W764 HydrophobicContact CE1-CH2 4.43Å; Y700-W764 AromaticContact CE2-CH2 3.88Å; Y700-W764 HydrophobicContact CE2-CH2 3.88Å; Y700-W764 AromaticContact CG-CH2 3.77Å; Y700-W764 HydrophobicContact CG-CH2 3.77Å; Y700-W764 HydrophobicContact CG-CZ3 4.07Å; L702-W764 HydrophobicContact CD1-CE3 4.43Å; L702-W764 HydrophobicContact CD2-CB 4.11Å; L702-W764 HydrophobicContact CD2-CE3 4.07Å; I718-W764 HydrophobicContact CG2-CE3 4.36Å; I718-W764 HydrophobicContact CG2-CZ3 3.99Å; M722-W764 HydrophobicContact CE-CH2 4.48Å; M722-W764 HydrophobicContact CE-CZ3 4.06Å; M722-W764 HydrophobicContact SD-CH2 3.62Å; M722-W764 HydrophobicContact SD-CZ3 3.71Å; F730-W764 HydrophobicContact CB-CZ2 4.26Å; F730-W764 HydrophobicContact CD1-CZ2 4.35Å; F730-W764 AromaticContact CD2-CH2 3.49Å; F730-W764 HydrophobicContact CD2-CH2 3.49Å; F730-W764 VanDerWaalsContact CD2-CH2 3.49Å; F730-W764 AromaticContact CD2-CZ2 3.36Å; F730-W764 HydrophobicContact CD2-CZ2 3.36Å; F730-W764 AromaticContact CE2-CH2 3.89Å; F730-W764 HydrophobicContact CE2-CH2 3.89Å; F730-W764 AromaticContact CE2-CZ2 3.68Å; F730-W764 HydrophobicContact CE2-CZ2 3.68Å; F730-W764 HydrophobicContact CG-CH2 4.21Å; F730-W764 AromaticContact CG-CZ2 3.74Å; F730-W764 HydrophobicContact CG-CZ2 3.74Å; F730-W764 HydrophobicContact CZ-CZ2 4.33Å; F734-W764 AromaticContact CE2-CZ2 3.91Å; F734-W764 HydrophobicContact CE2-CZ2 3.91Å; W764-V766 HydrophobicContact CB-CG2 4.27Å; W764-F797 HydrophobicContact CB-CD2 4.09Å; W764-F797 HydrophobicContact CB-CE2 4.15Å; W764-F797 AromaticContact CD2-CD2 3.6Å; W764-F797 HydrophobicContact CD2-CD2 3.6Å; W764-F797 AromaticContact CD2-CE2 3.66Å; W764-F797 HydrophobicContact CD2-CE2 3.66Å; W764-F797 AromaticContact CE2-CE2 3.99Å; W764-F797 AromaticContact CE3-CD2 3.52Å; W764-F797 HydrophobicContact CE3-CD2 3.52Å; W764-F797 HydrophobicContact CE3-CE2 4.07Å; W764-F797 HydrophobicContact CE3-CG 4.41Å; W764-F797 AromaticContact CG-CD2 3.87Å; W764-F797 HydrophobicContact CG-CD2 3.87Å; W764-F797 AromaticContact CG-CE2 3.7Å; W764-F797 HydrophobicContact CG-CE2 3.7Å; W764-F797 HydrophobicContact CZ3-CD2 4.15Å
765	E	97.1	Very high	92.5	Very high	22 Å²	22	28.8 Å²	28.8	10%	0.103	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	123.8	165.6	-173.3	173.6	171.2	0	0	108.6	T678 V798 R799 R801	T678-E765 WeakPolarHBondContact CB-OE1 3.47Å; T678-E765 HydrophobicContact CG2-CG 4.27Å; T678-E765 WeakPolarHBondContact CG2-OE1 3.42Å; T678-E765 PolarHBondContact OG1-OE1 2.85Å; E765-V798 HydrophobicContact CB-CB 4.21Å; E765-V798 HydrophobicContact CG-CB 4.12Å; E765-V798 HydrophobicContact CG-CG1 4.49Å; E765-V798 HydrophobicContact CG-CG2 4.42Å; E765-V798 WeakPolarHBondContact O-CB 3.27Å; E765-V798 PolarHBondContact O-N 3.14Å; E765-R799 HydrophobicContact CB-CG 4Å; E765-R799 PolarHBondContact N-O 3.43Å; E765-R799 IonicContact OE2-CZ 2.71Å; E765-R799 VanDerWaalsContact OE2-CZ 3.27Å; E765-R799 IonicContact OE2-NE 3.95Å; E765-R799 PolarHBondContact OE2-NE 3.39Å; E765-R799 IonicContact OE2-NH2 2.81Å; E765-R799 PolarHBondContact OE2-NH2 2.93Å; E765-R801 HydrophobicContact CB-CG 3.87Å
766	V	94.6	Very high	92.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	122.8	-176.1	179.7	0	0	0	0	109.2	T678 L679 L681 L702 I718 W764 L792 P795 R796	T678-V766 WeakPolarHBondContact CA-O 3.32Å; L679-V766 PolarHBondContact N-O 2.91Å; L679-V766 PolarHBondContact O-N 3.44Å; L681-V766 HydrophobicContact CD1-CB 4.15Å; L681-V766 HydrophobicContact CD1-CG2 4.15Å; L702-V766 HydrophobicContact CD2-CG2 3.79Å; I718-V766 HydrophobicContact CD1-CG1 3.98Å; I718-V766 HydrophobicContact CD1-CG2 4.3Å; W764-V766 HydrophobicContact CB-CG2 4.27Å; V766-L792 HydrophobicContact CG1-CD1 3.89Å; V766-P795 HydrophobicContact CG1-CB 3.75Å; V766-R796 WeakPolarHBondContact CA-O 3.33Å
767	K	88.5	Confident	92.3	Very high	59 Å²	59	24.9 Å²	24.9	26%	0.257	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	137.5	169.8	-163.8	175.1	-171.8	-171.2	0	109.5	D670 V675 T678 P795 R796 V798	D670-K767 PolarHBondContact O-NZ 3.38Å; V675-K767 PolarHBondContact O-NZ 3.26Å; T678-K767 HydrophobicContact CG2-CB 4.11Å; T678-K767 HydrophobicContact CG2-CG 4.19Å; K767-P795 CarbonylContact O-C 3.51Å; K767-P795 WeakPolarHBondContact O-CA 3.33Å; K767-R796 PolarHBondContact N-O 3.01Å; K767-R796 PolarHBondContact O-N 2.92Å; K767-V798 HydrophobicContact CB-CG2 3.83Å
768	A	84.8	Confident	92.2	Very high	8 Å²	8	27.1 Å²	27.1	7%	0.066	15%	0.152	C	C	.	.			trans	-126.8	153.6	173.7	0	0	0	0	0	110.6	L792	A768-L792 HydrophobicContact CB-CB 3.83Å; A768-L792 HydrophobicContact CB-CD1 4.14Å; A768-L792 HydrophobicContact CB-CD2 3.97Å; A768-L792 HydrophobicContact CB-CG 4.18Å
769	A	76.5	Confident	92.1	Very high	13 Å²	13	27.1 Å²	27.1	11%	0.107	15%	0.152	C	C	.	.	S	Bend	trans	-74.3	-35.5	176	0	0	0	0	0	112.1	D670 R793 F794	D670-A769 VanDerWaalsContact CG-CB 3.46Å; D670-A769 VanDerWaalsContact OD1-CA 3.3Å; D670-A769 WeakPolarHBondContact OD1-CA 3.44Å; D670-A769 WeakPolarHBondContact OD1-CB 3.31Å; D670-A769 WeakPolarHBondContact OD2-CB 3.44Å; A769-R793 PolarHBondContact N-O 3.44Å; A769-F794 HydrophobicContact CB-CB 4.3Å; A769-F794 HydrophobicContact CB-CD2 3.96Å
770	D	79.9	Confident	92.1	Very high	18 Å²	18	24.6 Å²	24.6	10%	0.096	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	169.1	-175.6	-88.1	-35.4	0	0	0	109.9	K669 R793 Q822	K669-D770 WeakPolarHBondContact CE-OD2 3.47Å; K669-D770 IonicContact NZ-OD1 2.68Å; K669-D770 PolarHBondContact NZ-OD1 3.01Å; K669-D770 IonicContact NZ-OD2 3.6Å; K669-D770 PolarHBondContact NZ-OD2 3.24Å; D770-R793 HydrophobicContact CB-CB 4.24Å; D770-R793 HydrophobicContact CB-CG 4.37Å; D770-R793 VanDerWaalsContact CB-NE 3.28Å; D770-R793 WeakPolarHBondContact O-CB 3.42Å; D770-R793 PolarHBondContact O-N 2.93Å; D770-R793 IonicContact OD2-CZ 3.19Å; D770-R793 VanDerWaalsContact OD2-CZ 3.31Å; D770-R793 IonicContact OD2-NE 3.65Å; D770-R793 IonicContact OD2-NH2 2.76Å; D770-R793 PolarHBondContact OD2-NH2 3.03Å; D770-Q822 VanDerWaalsContact CG-OE1 3.26Å; D770-Q822 PolarHBondContact OD1-OE1 3.33Å
771	L	88	Confident	91.9	Very high	11 Å²	11	25.7 Å²	25.7	6%	0.058	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	141.5	172.9	-63.6	93.4	0	0	0	110.4	I790 S791 L792 V815 L818 Y819 Q822	L771-I790 HydrophobicContact CB-CG2 3.82Å; L771-I790 HydrophobicContact CD2-CG2 3.83Å; L771-I790 HydrophobicContact CG-CG2 4.4Å; L771-S791 WeakPolarHBondContact CA-O 3.25Å; L771-L792 HydrophobicContact CD2-CD2 4.07Å; L771-L792 HydrophobicContact CG-CD2 3.99Å; L771-V815 HydrophobicContact CD2-CG1 3.9Å; L771-L818 HydrophobicContact CD1-CB 4.01Å; L771-L818 HydrophobicContact CD2-CB 4.18Å; L771-Y819 HydrophobicContact CB-CD2 4Å; L771-Q822 PolarHBondContact O-NE2 3.01Å; L771-Q822 PolarHBondContact O-OE1 3.04Å; L771-Q822 VanDerWaalsContact O-OE1 3.1Å
772	S	86.9	Confident	91.6	Very high	17 Å²	17	25.1 Å²	25.1	12%	0.119	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	146.6	-178.4	60.4	0	0	0	0	112.9	S774 I790 S791	S772-S774 PolarHBondContact O-N 3.22Å; S772-I790 CarbonylContact O-C 3.57Å; S772-S791 PolarHBondContact N-O 3.23Å; S772-S791 PolarHBondContact O-N 3.36Å; S772-S791 PolarHBondContact O-OG 2.94Å
773	I	91.2	Very high	91.4	Very high	50 Å²	50	27.7 Å²	27.7	26%	0.256	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	132.6	174.8	-55.2	-59.9	0	0	0	110.2	A784 D785 K788 G789 I790 Y819	I773-A784 HydrophobicContact CD1-CB 3.48Å; I773-A784 VanDerWaalsContact CD1-CB 3.48Å; I773-D785 HydrophobicContact CD1-CB 4.41Å; I773-D785 HydrophobicContact CG2-CB 3.98Å; I773-K788 HydrophobicContact CG2-CB 3.63Å; I773-K788 HydrophobicContact CG2-CD 3.86Å; I773-K788 HydrophobicContact CG2-CG 4.38Å; I773-G789 CarbonylContact C-O 3.59Å; I773-G789 WeakPolarHBondContact CA-O 3.33Å; I773-I790 HydrophobicContact CD1-CG1 4.22Å; I773-Y819 HydrophobicContact CD1-CE1 4.24Å; I773-Y819 HydrophobicContact CD1-CE2 4.04Å; I773-Y819 HydrophobicContact CG1-CE2 4.22Å; I773-Y819 WeakPolarHBondContact CG1-OH 3.38Å
774	S	90.6	Very high	90.8	Very high	17 Å²	17	29.2 Å²	29.2	12%	0.119	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	125.2	-175.8	-176.5	0	0	0	0	112.7	S772 G776 G789 S791	S772-S774 PolarHBondContact O-N 3.22Å; S774-G776 PolarHBondContact O-N 2.69Å; S774-G776 PolarHBondContact OG-N 3.22Å; S774-G789 PolarHBondContact N-O 3.45Å; S774-G789 PolarHBondContact O-N 3.14Å; S774-G789 VanDerWaalsContact O-N 3.15Å; S774-S791 VanDerWaalsContact CB-OG 3.26Å; S774-S791 WeakPolarHBondContact CB-OG 3.45Å
775	P	89.9	Confident	90.5	Very high	99 Å²	99	30.7 Å²	30.7	64%	0.643	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-9.7	170.5	32.7	-35.4	0	0	0	112.7	K788	P775-K788 HydrophobicContact CB-CD 4.12Å; P775-K788 HydrophobicContact CB-CG 4.23Å
776	G	90.1	Very high	90	Very high	13 Å²	13	35.2 Å²	35.2	13%	0.134	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-22.7	179.9	0	0	0	0	0	113.3	T749 L752 S774	T749-G776 WeakPolarHBondContact CB-O 3.35Å; T749-G776 WeakPolarHBondContact CG2-O 3.23Å; T749-G776 PolarHBondContact OG1-O 3.19Å; L752-G776 WeakPolarHBondContact CD1-O 3.29Å; S774-G776 PolarHBondContact O-N 2.69Å; S774-G776 PolarHBondContact OG-N 3.22Å
777	H	95.9	Very high	89.8	Confident	19 Å²	19	42.8 Å²	42.8	9%	0.088	26%	0.258	C	S	.	.			trans	-116.1	163	-172.3	-74	-69.3	0	0	0	111.1	T714 I715 C716 L752 G789 S791	T714-H777 VanDerWaalsContact O-CB 3.26Å; T714-H777 WeakPolarHBondContact O-CB 3.42Å; T714-H777 PolarHBondContact O-ND1 2.67Å; I715-H777 VanDerWaalsContact C-CE1 3.48Å; I715-H777 VanDerWaalsContact C-ND1 3.31Å; I715-H777 PolarHBondContact N-ND1 3.2Å; C716-H777 WeakPolarHBondContact CA-CE1 3.31Å; C716-H777 PolarHBondContact N-CE1 2.92Å; C716-H777 VanDerWaalsContact N-CE1 3.33Å; L752-H777 WeakPolarHBondContact CD1-CE1 3.34Å; L752-H777 WeakPolarHBondContact CD1-ND1 3.4Å; H777-G789 WeakPolarHBondContact O-CA 3.35Å; H777-G789 PolarHBondContact O-N 3.09Å; H777-S791 VanDerWaalsContact CD2-CB 3.4Å; H777-S791 WeakPolarHBondContact CD2-CB 3.44Å
778	K	96.7	Very high	90	Very high	65 Å²	65	44.1 Å²	44.1	28%	0.283	26%	0.264	S	S	.	.			trans	-120.2	-8.4	-174.6	-72.4	-62	-170.8	176.4	0	114.6	Q713 T714 Q747 T749 A780 A781	Q713-K778 HydrophobicContact CB-CB 4.41Å; Q713-K778 PolarHBondContact OE1-O 3.34Å; T714-K778 PolarHBondContact O-N 2.88Å; T714-K778 PolarHBondContact OG1-N 3.36Å; Q747-K778 HydrophobicContact CB-CB 3.99Å; Q747-K778 HydrophobicContact CB-CG 4.36Å; T749-K778 HydrophobicContact CG2-CG 4.33Å; K778-A780 PolarHBondContact O-N 3.33Å; K778-A781 HydrophobicContact CD-CB 4.31Å; K778-A781 VanDerWaalsContact O-CB 3.23Å; K778-A781 WeakPolarHBondContact O-CB 3.43Å; K778-A781 PolarHBondContact O-N 3.41Å; K778-A781 VanDerWaalsContact O-N 3.08Å
779	A	97.4	Very high	90.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52	127.3	175.1	0	0	0	0	0	111.4	C704 Q713 T714 I715 A781 G789 I790 V815	C704-A779 WeakPolarHBondContact SG-CB 3.41Å; Q713-A779 HydrophobicContact CB-CB 4.44Å; T714-A779 PolarHBondContact O-N 3Å; I715-A779 HydrophobicContact CB-CB 3.69Å; I715-A779 HydrophobicContact CD1-CB 3.94Å; I715-A779 HydrophobicContact CG1-CB 3.63Å; A779-A781 PolarHBondContact O-N 3.03Å; A779-G789 CarbonylContact O-C 3.57Å; A779-G789 WeakPolarHBondContact O-CA 3.38Å; A779-I790 PolarHBondContact O-N 3.23Å; A779-V815 HydrophobicContact CB-CG1 4.5Å
780	A	96	Very high	91.3	Very high	3 Å²	3	43.1 Å²	43.1	3%	0.025	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	25.5	179.1	0	0	0	0	0	114.3	K778 G782 L783 I790 A812 V815	K778-A780 PolarHBondContact O-N 3.33Å; A780-G782 PolarHBondContact O-N 3.08Å; A780-L783 HydrophobicContact CB-CB 4.47Å; A780-L783 HydrophobicContact CB-CD1 4.04Å; A780-L783 WeakPolarHBondContact O-CB 3.25Å; A780-L783 PolarHBondContact O-N 3.02Å; A780-L783 VanDerWaalsContact O-N 3.12Å; A780-I790 HydrophobicContact CB-CD1 3.75Å; A780-I790 HydrophobicContact CB-CG1 4.17Å; A780-A812 WeakPolarHBondContact CB-O 3.37Å; A780-V815 HydrophobicContact CB-CG1 4.44Å
781	A	94	Very high	92	Very high	39 Å²	39	43 Å²	43	32%	0.322	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	132.2	177.4	0	0	0	0	0	110.3	K778 A779	K778-A781 HydrophobicContact CD-CB 4.31Å; K778-A781 VanDerWaalsContact O-CB 3.23Å; K778-A781 WeakPolarHBondContact O-CB 3.43Å; K778-A781 PolarHBondContact O-N 3.41Å; K778-A781 VanDerWaalsContact O-N 3.08Å; A779-A781 PolarHBondContact O-N 3.03Å
782	G	91.9	Very high	92.2	Very high	46 Å²	46	43 Å²	43	47%	0.474	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.3	-19.9	-173.6	0	0	0	0	0	114.3	A780 D785	A780-G782 PolarHBondContact O-N 3.08Å; G782-D785 CarbonylContact C-O 3.48Å; G782-D785 WeakPolarHBondContact CA-O 3.31Å; G782-D785 PolarHBondContact N-O 3.45Å
783	L	91.8	Very high	91.9	Very high	81 Å²	81	43.5 Å²	43.5	42%	0.424	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-57.7	179	-59.8	-178.5	0	0	0	111.8	A780 Y816	A780-L783 HydrophobicContact CB-CB 4.47Å; A780-L783 HydrophobicContact CB-CD1 4.04Å; A780-L783 WeakPolarHBondContact O-CB 3.25Å; A780-L783 PolarHBondContact O-N 3.02Å; A780-L783 VanDerWaalsContact O-N 3.12Å; L783-Y816 HydrophobicContact CB-CD1 4.36Å; L783-Y816 HydrophobicContact CB-CD2 3.73Å; L783-Y816 HydrophobicContact CB-CE2 4.09Å; L783-Y816 HydrophobicContact CB-CG 3.88Å; L783-Y816 HydrophobicContact CD1-CD1 4.41Å; L783-Y816 HydrophobicContact CD1-CG 4.08Å
784	A	87.7	Confident	91.4	Very high	33 Å²	33	46.9 Å²	46.9	27%	0.273	27%	0.269	S	S	.	.	S	Bend	trans	-91.2	-27.2	-179.5	0	0	0	0	0	114.1	I773 I790 Y816 Y819	I773-A784 HydrophobicContact CD1-CB 3.48Å; I773-A784 VanDerWaalsContact CD1-CB 3.48Å; A784-I790 HydrophobicContact CB-CD1 4Å; A784-I790 HydrophobicContact CB-CG1 4.31Å; A784-Y816 HydrophobicContact CB-CD2 3.86Å; A784-Y816 HydrophobicContact CB-CE2 3.75Å; A784-Y819 HydrophobicContact CB-CD1 4.02Å; A784-Y819 HydrophobicContact CB-CE1 3.82Å
785	D	90.9	Very high	91.3	Very high	31 Å²	31	46.9 Å²	46.9	17%	0.166	27%	0.268	C	S	.	.	S	Bend	trans	-142	140.8	174.7	177.1	-65.4	0	0	0	108.1	I773 G782 Q787 K788	I773-D785 HydrophobicContact CD1-CB 4.41Å; I773-D785 HydrophobicContact CG2-CB 3.98Å; G782-D785 CarbonylContact C-O 3.48Å; G782-D785 WeakPolarHBondContact CA-O 3.31Å; G782-D785 PolarHBondContact N-O 3.45Å; D785-Q787 PolarHBondContact O-N 2.98Å; D785-Q787 PolarHBondContact OD1-N 3.33Å; D785-K788 HydrophobicContact CB-CB 4Å; D785-K788 WeakPolarHBondContact OD1-CG 3.44Å; D785-K788 PolarHBondContact OD1-N 3.11Å; D785-K788 IonicContact OD2-NZ 2.77Å; D785-K788 PolarHBondContact OD2-NZ 3.02Å
786	P	87.8	Confident	91.2	Very high	118 Å²	118	48.3 Å²	48.3	77%	0.766	26%	0.261	S	S	*	.	S	Bend	trans	-58.7	-22.4	-175.7	-25.8	34.1	0	0	0	115.4
787	Q	89.1	Confident	91.3	Very high	159 Å²	159	48.3 Å²	48.3	74%	0.743	26%	0.257	S	S	*	.	S	Bend	trans	-132.2	-27.9	-176.3	-67	-175.2	-1.6	0	0	114.5	D785	D785-Q787 PolarHBondContact O-N 2.98Å; D785-Q787 PolarHBondContact OD1-N 3.33Å
788	K	92.6	Very high	91.1	Very high	86 Å²	86	50.8 Å²	50.8	37%	0.374	27%	0.273	S	S	.	.			trans	-93.2	145.2	-175.9	-55.8	-177.5	-153.3	107.3	0	110.5	I773 P775 D785	I773-K788 HydrophobicContact CG2-CB 3.63Å; I773-K788 HydrophobicContact CG2-CD 3.86Å; I773-K788 HydrophobicContact CG2-CG 4.38Å; P775-K788 HydrophobicContact CB-CD 4.12Å; P775-K788 HydrophobicContact CB-CG 4.23Å; D785-K788 HydrophobicContact CB-CB 4Å; D785-K788 WeakPolarHBondContact OD1-CG 3.44Å; D785-K788 PolarHBondContact OD1-N 3.11Å; D785-K788 IonicContact OD2-NZ 2.77Å; D785-K788 PolarHBondContact OD2-NZ 3.02Å
789	G	94.7	Very high	91	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-171	171.9	0	0	0	0	0	112.5	I773 S774 H777 A779	I773-G789 CarbonylContact C-O 3.59Å; I773-G789 WeakPolarHBondContact CA-O 3.33Å; S774-G789 PolarHBondContact N-O 3.45Å; S774-G789 PolarHBondContact O-N 3.14Å; S774-G789 VanDerWaalsContact O-N 3.15Å; H777-G789 WeakPolarHBondContact O-CA 3.35Å; H777-G789 PolarHBondContact O-N 3.09Å; A779-G789 CarbonylContact O-C 3.57Å; A779-G789 WeakPolarHBondContact O-CA 3.38Å
790	I	95.4	Very high	91.1	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	148.4	175.4	-60	178.3	0	0	0	108.7	L771 S772 I773 A779 A780 A784 V815 Y816 Y819	L771-I790 HydrophobicContact CB-CG2 3.82Å; L771-I790 HydrophobicContact CD2-CG2 3.83Å; L771-I790 HydrophobicContact CG-CG2 4.4Å; S772-I790 CarbonylContact O-C 3.57Å; I773-I790 HydrophobicContact CD1-CG1 4.22Å; A779-I790 PolarHBondContact O-N 3.23Å; A780-I790 HydrophobicContact CB-CD1 3.75Å; A780-I790 HydrophobicContact CB-CG1 4.17Å; A784-I790 HydrophobicContact CB-CD1 4Å; A784-I790 HydrophobicContact CB-CG1 4.31Å; I790-V815 HydrophobicContact CB-CG1 3.99Å; I790-V815 HydrophobicContact CD1-CG1 4.2Å; I790-V815 HydrophobicContact CG2-CG1 3.88Å; I790-Y816 HydrophobicContact CD1-CD2 4.35Å; I790-Y819 HydrophobicContact CD1-CD1 4.24Å; I790-Y819 HydrophobicContact CD1-CD2 4.4Å; I790-Y819 HydrophobicContact CD1-CG 3.87Å; I790-Y819 HydrophobicContact CG2-CD2 4.41Å
791	S	93.9	Very high	91.1	Very high	15 Å²	15	57 Å²	57	11%	0.105	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	153.7	175.3	69.7	0	0	0	0	112.8	I715 L771 S772 S774 H777	I715-S791 WeakPolarHBondContact O-CA 3.22Å; I715-S791 VanDerWaalsContact O-CB 3.31Å; I715-S791 WeakPolarHBondContact O-CB 3.35Å; L771-S791 WeakPolarHBondContact CA-O 3.25Å; S772-S791 PolarHBondContact N-O 3.23Å; S772-S791 PolarHBondContact O-N 3.36Å; S772-S791 PolarHBondContact O-OG 2.94Å; S774-S791 VanDerWaalsContact CB-OG 3.26Å; S774-S791 WeakPolarHBondContact CB-OG 3.45Å; H777-S791 VanDerWaalsContact CD2-CB 3.4Å; H777-S791 WeakPolarHBondContact CD2-CB 3.44Å
792	L	91	Very high	91.2	Very high	13 Å²	13	62 Å²	62	7%	0.068	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	134.1	179.6	-57.5	-173	0	0	0	112.2	L679 L681 I715 C716 V766 A768 L771 P795	L679-L792 HydrophobicContact CD1-CD1 4.14Å; L679-L792 HydrophobicContact CD1-CD2 3.78Å; L679-L792 HydrophobicContact CD2-CD2 4.04Å; L681-L792 HydrophobicContact CD1-CD1 3.67Å; I715-L792 HydrophobicContact CD1-CD2 4.01Å; I715-L792 HydrophobicContact CD1-CG 4.21Å; I715-L792 HydrophobicContact CG1-CD2 4.4Å; I715-L792 HydrophobicContact CG1-CG 4.18Å; I715-L792 PolarHBondContact O-N 3.46Å; C716-L792 HydrophobicContact CB-CB 4.09Å; C716-L792 HydrophobicContact CB-CD1 4.33Å; C716-L792 HydrophobicContact CB-CG 4.26Å; V766-L792 HydrophobicContact CG1-CD1 3.89Å; A768-L792 HydrophobicContact CB-CB 3.83Å; A768-L792 HydrophobicContact CB-CD1 4.14Å; A768-L792 HydrophobicContact CB-CD2 3.97Å; A768-L792 HydrophobicContact CB-CG 4.18Å; L771-L792 HydrophobicContact CD2-CD2 4.07Å; L771-L792 HydrophobicContact CG-CD2 3.99Å; L792-P795 HydrophobicContact CB-CB 4.08Å; L792-P795 HydrophobicContact CB-CG 4.44Å; L792-P795 HydrophobicContact CD1-CB 4.34Å
793	R	81.4	Confident	91.4	Very high	26 Å²	26	64.4 Å²	64.4	10%	0.098	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	132.4	168.6	-69.5	-154	-79.3	172.4	-14.3	110.7	D461 A769 D770	D461-R793 IonicContact OD2-CZ 3.4Å; D461-R793 IonicContact OD2-NH1 2.78Å; D461-R793 PolarHBondContact OD2-NH1 3.08Å; D461-R793 IonicContact OD2-NH2 3.51Å; A769-R793 PolarHBondContact N-O 3.44Å; D770-R793 HydrophobicContact CB-CB 4.24Å; D770-R793 HydrophobicContact CB-CG 4.37Å; D770-R793 VanDerWaalsContact CB-NE 3.28Å; D770-R793 WeakPolarHBondContact O-CB 3.42Å; D770-R793 PolarHBondContact O-N 2.93Å; D770-R793 IonicContact OD2-CZ 3.19Å; D770-R793 VanDerWaalsContact OD2-CZ 3.31Å; D770-R793 IonicContact OD2-NE 3.65Å; D770-R793 IonicContact OD2-NH2 2.76Å; D770-R793 PolarHBondContact OD2-NH2 3.03Å
794	F	81.1	Confident	91.6	Very high	122 Å²	122	63.4 Å²	63.4	54%	0.535	31%	0.313	S	S	.	.	S	Bend	trans	47.5	48.7	-179.4	-55.4	-68.5	0	0	0	114.7	A769 R796	A769-F794 HydrophobicContact CB-CB 4.3Å; A769-F794 HydrophobicContact CB-CD2 3.96Å; F794-R796 PolarHBondContact O-N 3.32Å
795	P	88.4	Confident	92.1	Very high	16 Å²	16	68.4 Å²	68.4	10%	0.104	33%	0.329	C	S	.	.			trans	-60.7	136.9	-177.8	27.4	-35.2	0	0	0	111.2	C716 I718 T720 V766 K767 L792	C716-P795 HydrophobicContact CB-CB 4.45Å; C716-P795 HydrophobicContact CB-CG 4.21Å; I718-P795 HydrophobicContact CD1-CB 4.04Å; I718-P795 HydrophobicContact CG1-CB 4.2Å; I718-P795 HydrophobicContact CG1-CG 4.33Å; T720-P795 PolarHBondContact OG1-O 3.29Å; V766-P795 HydrophobicContact CG1-CB 3.75Å; K767-P795 CarbonylContact O-C 3.51Å; K767-P795 WeakPolarHBondContact O-CA 3.33Å; L792-P795 HydrophobicContact CB-CB 4.08Å; L792-P795 HydrophobicContact CB-CG 4.44Å; L792-P795 HydrophobicContact CD1-CB 4.34Å
796	R	87.2	Confident	92.4	Very high	130 Å²	130	67.7 Å²	67.7	49%	0.491	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	130.7	176.2	-65.8	177.4	-174.1	-92.1	-2.6	109.8	V766 K767 F794 V798	V766-R796 WeakPolarHBondContact CA-O 3.33Å; K767-R796 PolarHBondContact N-O 3.01Å; K767-R796 PolarHBondContact O-N 2.92Å; F794-R796 PolarHBondContact O-N 3.32Å; R796-V798 PolarHBondContact O-N 3.22Å
797	F	93.1	Very high	92.8	Very high	12 Å²	12	66.6 Å²	66.6	5%	0.053	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	132.6	170.1	171.8	-101.1	0	0	0	108.6	I718 T720 M722 F730 W764 R799 I800	I718-F797 HydrophobicContact CD1-CB 4.2Å; T720-F797 PolarHBondContact O-N 3.01Å; T720-F797 VanDerWaalsContact O-N 3.07Å; M722-F797 HydrophobicContact CG-CB 3.76Å; M722-F797 HydrophobicContact CG-CD1 3.73Å; M722-F797 HydrophobicContact CG-CE1 4.49Å; M722-F797 HydrophobicContact CG-CG 3.8Å; F730-F797 HydrophobicContact CE2-CE1 4.09Å; F730-F797 HydrophobicContact CE2-CE2 4.24Å; F730-F797 AromaticContact CE2-CZ 3.92Å; F730-F797 HydrophobicContact CE2-CZ 3.92Å; F730-F797 AromaticContact CZ-CE1 3.95Å; F730-F797 HydrophobicContact CZ-CE1 3.95Å; F730-F797 HydrophobicContact CZ-CE2 4.18Å; F730-F797 AromaticContact CZ-CZ 3.58Å; F730-F797 HydrophobicContact CZ-CZ 3.58Å; W764-F797 HydrophobicContact CB-CD2 4.09Å; W764-F797 HydrophobicContact CB-CE2 4.15Å; W764-F797 AromaticContact CD2-CD2 3.6Å; W764-F797 HydrophobicContact CD2-CD2 3.6Å; W764-F797 AromaticContact CD2-CE2 3.66Å; W764-F797 HydrophobicContact CD2-CE2 3.66Å; W764-F797 AromaticContact CE2-CE2 3.99Å; W764-F797 AromaticContact CE3-CD2 3.52Å; W764-F797 HydrophobicContact CE3-CD2 3.52Å; W764-F797 HydrophobicContact CE3-CE2 4.07Å; W764-F797 HydrophobicContact CE3-CG 4.41Å; W764-F797 AromaticContact CG-CD2 3.87Å; W764-F797 HydrophobicContact CG-CD2 3.87Å; W764-F797 AromaticContact CG-CE2 3.7Å; W764-F797 HydrophobicContact CG-CE2 3.7Å; W764-F797 HydrophobicContact CZ3-CD2 4.15Å; F797-R799 WeakPolarHBondContact CE2-O 3.5Å; F797-I800 HydrophobicContact CE2-CG1 4.2Å; F797-I800 HydrophobicContact CZ-CG1 4.09Å
798	V	91.8	Very high	93.2	Very high	71 Å²	71	63.1 Å²	63.1	43%	0.43	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	-58.6	175.1	-178.9	0	0	0	0	109	E765 K767 R796	E765-V798 HydrophobicContact CB-CB 4.21Å; E765-V798 HydrophobicContact CG-CB 4.12Å; E765-V798 HydrophobicContact CG-CG1 4.49Å; E765-V798 HydrophobicContact CG-CG2 4.42Å; E765-V798 WeakPolarHBondContact O-CB 3.27Å; E765-V798 PolarHBondContact O-N 3.14Å; K767-V798 HydrophobicContact CB-CG2 3.83Å; R796-V798 PolarHBondContact O-N 3.22Å
799	R	95	Very high	93.4	Very high	112 Å²	112	59.1 Å²	59.1	42%	0.423	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	166.3	179.8	61.2	-179.5	179.5	119.7	4.2	111.6	E765 F797	E765-R799 HydrophobicContact CB-CG 4Å; E765-R799 PolarHBondContact N-O 3.43Å; E765-R799 IonicContact OE2-CZ 2.71Å; E765-R799 VanDerWaalsContact OE2-CZ 3.27Å; E765-R799 IonicContact OE2-NE 3.95Å; E765-R799 PolarHBondContact OE2-NE 3.39Å; E765-R799 IonicContact OE2-NH2 2.81Å; E765-R799 PolarHBondContact OE2-NH2 2.93Å; F797-R799 WeakPolarHBondContact CE2-O 3.5Å
800	I	97.6	Very high	93.5	Very high	53 Å²	53	59.7 Å²	59.7	27%	0.272	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	141.2	164.1	-66.8	163.7	0	0	0	108.6	F730 Q762 F797	F730-I800 HydrophobicContact CD1-CD1 4.27Å; F730-I800 HydrophobicContact CE1-CD1 3.43Å; F730-I800 VanDerWaalsContact CE1-CD1 3.43Å; F730-I800 HydrophobicContact CE1-CG1 4.19Å; F730-I800 HydrophobicContact CZ-CD1 3.99Å; F730-I800 HydrophobicContact CZ-CG1 4.29Å; Q762-I800 HydrophobicContact CG-CG2 3.91Å; F797-I800 HydrophobicContact CE2-CG1 4.2Å; F797-I800 HydrophobicContact CZ-CG1 4.09Å
801	R	97.3	Very high	93.6	Very high	33 Å²	33	61.1 Å²	61.1	13%	0.125	29%	0.293	C	S	.	.			trans	-102.8	80.1	171.6	-64.9	-64.1	-60.5	-89.4	1	109.3	D680 V763 E765 D803 K804	D680-R801 WeakPolarHBondContact OD1-CG 3.37Å; D680-R801 IonicContact OD1-CZ 3.56Å; D680-R801 IonicContact OD1-NH1 2.71Å; D680-R801 PolarHBondContact OD1-NH1 3.09Å; D680-R801 IonicContact OD2-CZ 2.6Å; D680-R801 IonicContact OD2-NH1 2.7Å; D680-R801 PolarHBondContact OD2-NH1 2.97Å; D680-R801 IonicContact OD2-NH2 3.96Å; V763-R801 HydrophobicContact CB-CB 4.11Å; V763-R801 HydrophobicContact CG1-CB 4.08Å; V763-R801 HydrophobicContact CG1-CG 4.48Å; V763-R801 PolarHBondContact O-N 3.28Å; E765-R801 HydrophobicContact CB-CG 3.87Å; R801-D803 WeakPolarHBondContact CA-OD1 3.34Å; R801-D803 IonicContact CZ-OD1 3.04Å; R801-D803 IonicContact CZ-OD2 2.68Å; R801-D803 IonicContact NE-OD1 3.95Å; R801-D803 PolarHBondContact NE-OD1 2.68Å; R801-D803 IonicContact NE-OD2 3.17Å; R801-D803 PolarHBondContact NE-OD2 3.48Å; R801-D803 IonicContact NH2-OD1 3.43Å; R801-D803 IonicContact NH2-OD2 3.89Å; R801-D803 PolarHBondContact NH2-OD2 3.2Å; R801-D803 PolarHBondContact O-N 2.85Å; R801-K804 HydrophobicContact CB-CB 4.12Å; R801-K804 HydrophobicContact CB-CD 4.47Å; R801-K804 HydrophobicContact CB-CG 4.33Å; R801-K804 PolarHBondContact O-N 2.99Å
802	D	95	Very high	93.7	Very high	145 Å²	145	60.6 Å²	60.6	78%	0.775	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-18.4	174.4	59	-29.2	0	0	0	112.5	K804	D802-K804 VanDerWaalsContact C-N 3.28Å; D802-K804 PolarHBondContact O-N 3.05Å
803	D	96.4	Very high	94	Very high	97 Å²	97	64.2 Å²	64.2	52%	0.519	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-7.1	173.2	65.2	-54.8	0	0	0	114.3	R801	R801-D803 WeakPolarHBondContact CA-OD1 3.34Å; R801-D803 IonicContact CZ-OD1 3.04Å; R801-D803 IonicContact CZ-OD2 2.68Å; R801-D803 IonicContact NE-OD1 3.95Å; R801-D803 PolarHBondContact NE-OD1 2.68Å; R801-D803 IonicContact NE-OD2 3.17Å; R801-D803 PolarHBondContact NE-OD2 3.48Å; R801-D803 IonicContact NH2-OD1 3.43Å; R801-D803 IonicContact NH2-OD2 3.89Å; R801-D803 PolarHBondContact NH2-OD2 3.2Å; R801-D803 PolarHBondContact O-N 2.85Å
804	K	96.9	Very high	94.6	Very high	59 Å²	59	67.2 Å²	67.2	26%	0.257	32%	0.321	S	S	.	.			trans	-122.1	138.7	-175.5	-72.7	-166.1	157.7	-157.8	0	113	D680 V763 R801 D802 D808	D680-K804 HydrophobicContact CB-CD 3.99Å; D680-K804 WeakPolarHBondContact OD2-CD 3.36Å; D680-K804 WeakPolarHBondContact OD2-CE 3.14Å; D680-K804 IonicContact OD2-NZ 2.65Å; D680-K804 PolarHBondContact OD2-NZ 3.16Å; V763-K804 HydrophobicContact CB-CB 4.3Å; V763-K804 HydrophobicContact CG1-CB 4.36Å; V763-K804 HydrophobicContact CG2-CB 4.26Å; R801-K804 HydrophobicContact CB-CB 4.12Å; R801-K804 HydrophobicContact CB-CD 4.47Å; R801-K804 HydrophobicContact CB-CG 4.33Å; R801-K804 PolarHBondContact O-N 2.99Å; D802-K804 VanDerWaalsContact C-N 3.28Å; D802-K804 PolarHBondContact O-N 3.05Å; K804-D808 HydrophobicContact CB-CB 4.24Å; K804-D808 HydrophobicContact CG-CB 4.38Å; K804-D808 PolarHBondContact NZ-O 2.8Å; K804-D808 VanDerWaalsContact NZ-O 3.13Å
805	K	97.1	Very high	95.3	Very high	139 Å²	139	61.4 Å²	61.4	60%	0.604	30%	0.295	S	S	*	.			trans	-81	158	166.7	-59	177.6	-178.5	171.7	0	110.3	V763 E807 D808	V763-K805 WeakPolarHBondContact CG2-O 3.48Å; K805-E807 WeakPolarHBondContact CB-OE2 3.2Å; K805-E807 PolarHBondContact O-N 3.48Å; K805-E807 VanDerWaalsContact O-N 3.14Å; K805-D808 VanDerWaalsContact CB-OD2 3.28Å; K805-D808 WeakPolarHBondContact CB-OD2 3.18Å; K805-D808 PolarHBondContact N-OD2 2.6Å; K805-D808 WeakPolarHBondContact O-CA 3.4Å; K805-D808 WeakPolarHBondContact O-CB 3.23Å; K805-D808 PolarHBondContact O-N 2.83Å
806	P	97	Very high	95.6	Very high	16 Å²	16	63.5 Å²	63.5	10%	0.104	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-50.7	-34.7	174.7	-28.2	35.8	0	0	0	114.2	V682 Y712 P760 D808 A809	V682-P806 HydrophobicContact CG1-CB 4.15Å; V682-P806 HydrophobicContact CG2-CB 4.11Å; V682-P806 VanDerWaalsContact CG2-O 3.28Å; V682-P806 WeakPolarHBondContact CG2-O 3.49Å; Y712-P806 HydrophobicContact CE1-CB 4.25Å; Y712-P806 WeakPolarHBondContact OH-CB 3.19Å; P760-P806 HydrophobicContact CB-CB 4.29Å; P760-P806 WeakPolarHBondContact O-CG 3.15Å; P806-D808 VanDerWaalsContact C-N 3.3Å; P806-A809 VanDerWaalsContact O-CB 3.25Å; P806-A809 WeakPolarHBondContact O-CB 3.04Å; P806-A809 PolarHBondContact O-N 2.69Å
807	E	96.6	Very high	95.9	Very high	94 Å²	94	61.7 Å²	61.7	44%	0.439	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-75.5	-16.9	178.1	-53.5	75.4	-159.1	0	0	113	Y705 Y712 K805 A809	Y705-E807 VanDerWaalsContact CD1-O 3.27Å; Y705-E807 WeakPolarHBondContact CD1-O 3.25Å; Y705-E807 HydrophobicContact CE1-CB 4.21Å; Y712-E807 PolarHBondContact OH-OE1 3.09Å; K805-E807 WeakPolarHBondContact CB-OE2 3.2Å; K805-E807 PolarHBondContact O-N 3.48Å; K805-E807 VanDerWaalsContact O-N 3.14Å; E807-A809 VanDerWaalsContact C-N 3.28Å
808	D	96.9	Very high	95.8	Very high	86 Å²	86	62.4 Å²	62.4	46%	0.46	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-89.1	7.1	175.3	-54.1	-46.1	0	0	0	112.8	K804 K805 P806	K804-D808 HydrophobicContact CB-CB 4.24Å; K804-D808 HydrophobicContact CG-CB 4.38Å; K804-D808 PolarHBondContact NZ-O 2.8Å; K804-D808 VanDerWaalsContact NZ-O 3.13Å; K805-D808 VanDerWaalsContact CB-OD2 3.28Å; K805-D808 WeakPolarHBondContact CB-OD2 3.18Å; K805-D808 PolarHBondContact N-OD2 2.6Å; K805-D808 WeakPolarHBondContact O-CA 3.4Å; K805-D808 WeakPolarHBondContact O-CB 3.23Å; K805-D808 PolarHBondContact O-N 2.83Å; P806-D808 VanDerWaalsContact C-N 3.3Å
809	A	97.1	Very high	95.7	Very high	3 Å²	3	60.3 Å²	60.3	3%	0.025	29%	0.287	C	S	.	.	S	Bend	trans	-63.5	158	174.2	0	0	0	0	0	111.3	D680 V682 P806 E807 T811	D680-A809 CarbonylContact O-C 3.57Å; D680-A809 WeakPolarHBondContact O-CA 3.5Å; D680-A809 WeakPolarHBondContact O-CB 3.33Å; V682-A809 HydrophobicContact CG2-CB 3.52Å; P806-A809 VanDerWaalsContact O-CB 3.25Å; P806-A809 WeakPolarHBondContact O-CB 3.04Å; P806-A809 PolarHBondContact O-N 2.69Å; E807-A809 VanDerWaalsContact C-N 3.28Å; A809-T811 PolarHBondContact O-N 2.84Å
810	T	97.8	Very high	95.4	Very high	11 Å²	11	57.3 Å²	57.3	7%	0.067	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-52.6	131.6	176.5	-58.6	0	0	0	0	110	L679 D680 C704 Y705 Q814 V815	L679-T810 HydrophobicContact CD2-CG2 4.13Å; L679-T810 HydrophobicContact CG-CG2 4.48Å; D680-T810 PolarHBondContact N-OG1 2.93Å; D680-T810 PolarHBondContact O-N 3.46Å; D680-T810 PolarHBondContact O-OG1 2.72Å; C704-T810 WeakPolarHBondContact CA-O 3.28Å; C704-T810 VanDerWaalsContact CB-O 3.22Å; C704-T810 WeakPolarHBondContact CB-O 3.34Å; Y705-T810 PolarHBondContact N-O 3.31Å; Y705-T810 VanDerWaalsContact N-O 3.1Å; T810-Q814 HydrophobicContact CG2-CB 3.71Å; T810-V815 HydrophobicContact CG2-CG2 4.01Å
811	T	97.7	Very high	95	Very high	31 Å²	31	59.4 Å²	59.4	19%	0.19	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-81.5	157.9	-174.1	70.4	0	0	0	0	112.4	Y705 P707 A809 Q813 Q814 V815	Y705-T811 CarbonylContact O-C 3.45Å; Y705-T811 WeakPolarHBondContact O-CA 3.32Å; P707-T811 HydrophobicContact CG-CG2 4.32Å; A809-T811 PolarHBondContact O-N 2.84Å; T811-Q813 PolarHBondContact O-N 3.11Å; T811-Q814 PolarHBondContact O-N 2.85Å; T811-Q814 VanDerWaalsContact O-N 3.15Å; T811-Q814 WeakPolarHBondContact OG1-CG 3.27Å; T811-Q814 PolarHBondContact OG1-N 2.95Å; T811-Q814 VanDerWaalsContact OG1-N 3.11Å; T811-V815 WeakPolarHBondContact O-CG2 3.14Å; T811-V815 PolarHBondContact O-N 3.45Å
812	A	96	Very high	94.3	Very high	4 Å²	4	58.7 Å²	58.7	3%	0.033	29%	0.288	C	S	.	.	H	α-helix	trans	-55.3	-37.4	172.3	0	0	0	0	0	112.3	Y705 D706 A780 V815 Y816	Y705-A812 PolarHBondContact O-N 2.8Å; D706-A812 HydrophobicContact CB-CB 4.14Å; A780-A812 WeakPolarHBondContact CB-O 3.37Å; A812-V815 PolarHBondContact O-N 2.81Å; A812-Y816 PolarHBondContact O-N 2.77Å
813	Q	95.8	Very high	93.5	Very high	88 Å²	88	55.2 Å²	55.2	41%	0.411	27%	0.267	S	S	.	.	H	α-helix	trans	-66.2	-45	175.7	-177.4	56.8	32.3	0	0	112.1	T811 V815 Y816 E817	T811-Q813 PolarHBondContact O-N 3.11Å; Q813-V815 VanDerWaalsContact C-N 3.34Å; Q813-V815 PolarHBondContact O-N 3.26Å; Q813-Y816 WeakPolarHBondContact O-CB 3.42Å; Q813-Y816 PolarHBondContact O-N 2.89Å; Q813-Y816 VanDerWaalsContact O-N 3.14Å; Q813-E817 WeakPolarHBondContact CG-OE1 3.4Å; Q813-E817 PolarHBondContact NE2-OE1 2.97Å; Q813-E817 VanDerWaalsContact NE2-OE1 3.09Å; Q813-E817 WeakPolarHBondContact O-CG 3.47Å; Q813-E817 PolarHBondContact O-N 2.9Å
814	Q	95.3	Very high	92.5	Very high	89 Å²	89	51.1 Å²	51.1	42%	0.416	25%	0.245	S	C	.	.	H	α-helix	trans	-61.1	-42.4	174.3	-74	171.6	-29	0	0	111.5	T810 T811 Y816 E817 L818	T810-Q814 HydrophobicContact CG2-CB 3.71Å; T811-Q814 PolarHBondContact O-N 2.85Å; T811-Q814 VanDerWaalsContact O-N 3.15Å; T811-Q814 WeakPolarHBondContact OG1-CG 3.27Å; T811-Q814 PolarHBondContact OG1-N 2.95Å; T811-Q814 VanDerWaalsContact OG1-N 3.11Å; Q814-Y816 VanDerWaalsContact C-N 3.26Å; Q814-Y816 PolarHBondContact O-N 3.43Å; Q814-E817 PolarHBondContact O-N 3.39Å; Q814-L818 VanDerWaalsContact O-CG 3.3Å; Q814-L818 WeakPolarHBondContact O-CG 3.28Å; Q814-L818 PolarHBondContact O-N 3.25Å
815	V	95.6	Very high	91.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-57.3	-41	174.9	172.4	0	0	0	0	111.4	L679 C704 I715 L771 A779 A780 I790 T810 T811 A812 Q813 Y819	L679-V815 HydrophobicContact CD2-CG2 3.87Å; C704-V815 HydrophobicContact CB-CG2 3.96Å; I715-V815 HydrophobicContact CD1-CB 4.4Å; I715-V815 HydrophobicContact CD1-CG1 3.68Å; I715-V815 HydrophobicContact CD1-CG2 3.69Å; L771-V815 HydrophobicContact CD2-CG1 3.9Å; A779-V815 HydrophobicContact CB-CG1 4.5Å; A780-V815 HydrophobicContact CB-CG1 4.44Å; I790-V815 HydrophobicContact CB-CG1 3.99Å; I790-V815 HydrophobicContact CD1-CG1 4.2Å; I790-V815 HydrophobicContact CG2-CG1 3.88Å; T810-V815 HydrophobicContact CG2-CG2 4.01Å; T811-V815 WeakPolarHBondContact O-CG2 3.14Å; T811-V815 PolarHBondContact O-N 3.45Å; A812-V815 PolarHBondContact O-N 2.81Å; Q813-V815 VanDerWaalsContact C-N 3.34Å; Q813-V815 PolarHBondContact O-N 3.26Å; V815-Y819 WeakPolarHBondContact O-CB 3.36Å; V815-Y819 PolarHBondContact O-N 3.46Å
816	Y	94.3	Very high	91	Very high	60 Å²	60	46.7 Å²	46.7	24%	0.235	23%	0.226	C	C	.	.	H	α-helix	trans	-66.6	-42.3	177.1	176.5	-113.6	0	0	0	112.6	L783 A784 I790 A812 Q813 Q814 Y819 Q820	L783-Y816 HydrophobicContact CB-CD1 4.36Å; L783-Y816 HydrophobicContact CB-CD2 3.73Å; L783-Y816 HydrophobicContact CB-CE2 4.09Å; L783-Y816 HydrophobicContact CB-CG 3.88Å; L783-Y816 HydrophobicContact CD1-CD1 4.41Å; L783-Y816 HydrophobicContact CD1-CG 4.08Å; A784-Y816 HydrophobicContact CB-CD2 3.86Å; A784-Y816 HydrophobicContact CB-CE2 3.75Å; I790-Y816 HydrophobicContact CD1-CD2 4.35Å; A812-Y816 PolarHBondContact O-N 2.77Å; Q813-Y816 WeakPolarHBondContact O-CB 3.42Å; Q813-Y816 PolarHBondContact O-N 2.89Å; Q813-Y816 VanDerWaalsContact O-N 3.14Å; Q814-Y816 VanDerWaalsContact C-N 3.26Å; Q814-Y816 PolarHBondContact O-N 3.43Å; Y816-Y819 WeakPolarHBondContact O-CB 3.15Å; Y816-Y819 PolarHBondContact O-N 3.11Å; Y816-Q820 HydrophobicContact CD2-CG 4.38Å; Y816-Q820 HydrophobicContact CE1-CG 4.11Å; Y816-Q820 HydrophobicContact CE2-CG 3.9Å; Y816-Q820 WeakPolarHBondContact O-CG 3.32Å; Y816-Q820 PolarHBondContact O-N 3.46Å; Y816-Q820 PolarHBondContact OH-NE2 2.94Å
817	E	92.9	Very high	90.1	Very high	92 Å²	92	48.5 Å²	48.5	43%	0.43	24%	0.235	S	C	.	.	H	α-helix	trans	-61.4	-46.1	175.7	-71.3	164.4	-167.6	0	0	111.7	Q813 Q814 Y819 Q820 N821	Q813-E817 WeakPolarHBondContact CG-OE1 3.4Å; Q813-E817 PolarHBondContact NE2-OE1 2.97Å; Q813-E817 VanDerWaalsContact NE2-OE1 3.09Å; Q813-E817 WeakPolarHBondContact O-CG 3.47Å; Q813-E817 PolarHBondContact O-N 2.9Å; Q814-E817 PolarHBondContact O-N 3.39Å; E817-Y819 VanDerWaalsContact C-N 3.27Å; E817-Y819 PolarHBondContact O-N 2.94Å; E817-Q820 PolarHBondContact O-N 3.31Å; E817-N821 WeakPolarHBondContact O-CB 3.11Å; E817-N821 VanDerWaalsContact O-CG 3.25Å; E817-N821 PolarHBondContact O-N 3Å; E817-N821 PolarHBondContact O-ND2 3.4Å
818	L	91.1	Very high	89	Confident	27 Å²	27	48 Å²	48	14%	0.141	23%	0.232	C	C	.	.	H	α-helix	trans	-58.8	-40.9	174.4	-66.2	-175.2	0	0	0	111.7	D677 L679 L771 Q814 N821	D677-L818 HydrophobicContact CB-CD1 3.78Å; D677-L818 HydrophobicContact CB-CD2 3.88Å; D677-L818 HydrophobicContact CB-CG 4.38Å; D677-L818 WeakPolarHBondContact OD2-CD2 3.48Å; L679-L818 HydrophobicContact CD1-CD1 4.38Å; L679-L818 HydrophobicContact CD2-CD1 4.15Å; L679-L818 HydrophobicContact CG-CD1 4.02Å; L771-L818 HydrophobicContact CD1-CB 4.01Å; L771-L818 HydrophobicContact CD2-CB 4.18Å; Q814-L818 VanDerWaalsContact O-CG 3.3Å; Q814-L818 WeakPolarHBondContact O-CG 3.28Å; Q814-L818 PolarHBondContact O-N 3.25Å; L818-N821 PolarHBondContact O-N 2.95Å
819	Y	90.4	Very high	87.5	Confident	27 Å²	27	47.8 Å²	47.8	11%	0.106	23%	0.229	C	C	.	.	H	α-helix	trans	-62.7	-44	176.3	170.4	-96	0	0	0	112.5	L771 I773 A784 I790 V815 Y816 E817 N821 Q822 I825	L771-Y819 HydrophobicContact CB-CD2 4Å; I773-Y819 HydrophobicContact CD1-CE1 4.24Å; I773-Y819 HydrophobicContact CD1-CE2 4.04Å; I773-Y819 HydrophobicContact CG1-CE2 4.22Å; I773-Y819 WeakPolarHBondContact CG1-OH 3.38Å; A784-Y819 HydrophobicContact CB-CD1 4.02Å; A784-Y819 HydrophobicContact CB-CE1 3.82Å; I790-Y819 HydrophobicContact CD1-CD1 4.24Å; I790-Y819 HydrophobicContact CD1-CD2 4.4Å; I790-Y819 HydrophobicContact CD1-CG 3.87Å; I790-Y819 HydrophobicContact CG2-CD2 4.41Å; V815-Y819 WeakPolarHBondContact O-CB 3.36Å; V815-Y819 PolarHBondContact O-N 3.46Å; Y816-Y819 WeakPolarHBondContact O-CB 3.15Å; Y816-Y819 PolarHBondContact O-N 3.11Å; E817-Y819 VanDerWaalsContact C-N 3.27Å; E817-Y819 PolarHBondContact O-N 2.94Å; Y819-N821 VanDerWaalsContact C-N 3.3Å; Y819-N821 PolarHBondContact O-N 2.92Å; Y819-Q822 VanDerWaalsContact CD2-NE2 3.33Å; Y819-Q822 PolarHBondContact O-N 3.14Å; Y819-Q822 PolarHBondContact O-NE2 3.09Å; Y819-I825 HydrophobicContact CE1-CD1 4.23Å; Y819-I825 HydrophobicContact CE1-CG1 4.28Å; Y819-I825 HydrophobicContact CE1-CG2 4.25Å; Y819-I825 HydrophobicContact CE2-CD1 3.87Å; Y819-I825 HydrophobicContact CE2-CG1 4.09Å; Y819-I825 WeakPolarHBondContact O-CG1 3.42Å; Y819-I825 VanDerWaalsContact OH-CD1 3.32Å; Y819-I825 WeakPolarHBondContact OH-CD1 3.16Å
820	Q	89.2	Confident	85.5	Confident	49 Å²	49	49.8 Å²	49.8	23%	0.229	25%	0.249	C	C	.	.	H	α-helix	trans	-66.6	-31.1	178.5	-72.9	-64.4	-17.4	0	0	112.9	Y816 E817 Q822	Y816-Q820 HydrophobicContact CD2-CG 4.38Å; Y816-Q820 HydrophobicContact CE1-CG 4.11Å; Y816-Q820 HydrophobicContact CE2-CG 3.9Å; Y816-Q820 WeakPolarHBondContact O-CG 3.32Å; Y816-Q820 PolarHBondContact O-N 3.46Å; Y816-Q820 PolarHBondContact OH-NE2 2.94Å; E817-Q820 PolarHBondContact O-N 3.31Å; Q820-Q822 PolarHBondContact O-N 3.32Å
821	N	87.5	Confident	83.1	Confident	97 Å²	97	53.4 Å²	53.4	52%	0.519	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-8.6	-178.6	-73.3	-21.8	0	0	0	114.4	E817 L818 Y819 E823 K826	E817-N821 WeakPolarHBondContact O-CB 3.11Å; E817-N821 VanDerWaalsContact O-CG 3.25Å; E817-N821 PolarHBondContact O-N 3Å; E817-N821 PolarHBondContact O-ND2 3.4Å; L818-N821 PolarHBondContact O-N 2.95Å; Y819-N821 VanDerWaalsContact C-N 3.3Å; Y819-N821 PolarHBondContact O-N 2.92Å; N821-E823 PolarHBondContact O-N 3.18Å; N821-K826 WeakPolarHBondContact O-CE 3.4Å; N821-K826 PolarHBondContact O-NZ 3.48Å
822	Q	82.7	Confident	80.3	Confident	18 Å²	18	59.7 Å²	59.7	8%	0.084	29%	0.293	C	S	.	.	S	Bend	trans	-66.2	132.2	175.5	-65.7	175.9	105.2	0	0	111.1	D770 L771 Y819 Q820 Q824 I825 K826	D770-Q822 VanDerWaalsContact CG-OE1 3.26Å; D770-Q822 PolarHBondContact OD1-OE1 3.33Å; L771-Q822 PolarHBondContact O-NE2 3.01Å; L771-Q822 PolarHBondContact O-OE1 3.04Å; L771-Q822 VanDerWaalsContact O-OE1 3.1Å; Y819-Q822 VanDerWaalsContact CD2-NE2 3.33Å; Y819-Q822 PolarHBondContact O-N 3.14Å; Y819-Q822 PolarHBondContact O-NE2 3.09Å; Q820-Q822 PolarHBondContact O-N 3.32Å; Q822-Q824 PolarHBondContact O-N 2.92Å; Q822-I825 HydrophobicContact CB-CB 4.38Å; Q822-I825 HydrophobicContact CB-CG1 4.04Å; Q822-I825 WeakPolarHBondContact O-CA 3.37Å; Q822-I825 WeakPolarHBondContact O-CB 3.44Å; Q822-I825 PolarHBondContact O-N 2.98Å; Q822-K826 PolarHBondContact O-N 2.87Å
823	E	78.4	Confident	77.3	Confident	72 Å²	72	67.4 Å²	67.4	34%	0.336	33%	0.328	S	S	.	.	H	α-helix	trans	-53.9	-38.7	177	-67.4	-55.1	136.8	0	0	112.5	N821 I825 K826 N827	N821-E823 PolarHBondContact O-N 3.18Å; E823-I825 PolarHBondContact O-N 2.72Å; E823-K826 PolarHBondContact O-N 2.86Å; E823-K826 IonicContact OE1-NZ 2.72Å; E823-K826 PolarHBondContact OE1-NZ 2.74Å; E823-N827 WeakPolarHBondContact O-CB 3.35Å; E823-N827 PolarHBondContact O-N 3.43Å; E823-N827 PolarHBondContact O-ND2 3.11Å
824	Q	75.9	Confident	74.4	Confident	12 Å²	12	68.8 Å²	68.8	6%	0.056	34%	0.343	C	S	.	.	H	α-helix	trans	-59.5	-28.9	175.8	-65.6	-173.9	-15	0	0	113.8	P556 N640 Q822 Q828	P556-Q824 HydrophobicContact CG-CB 4.3Å; N640-Q824 HydrophobicContact CB-CG 4.18Å; N640-Q824 WeakPolarHBondContact OD1-CA 3.27Å; N640-Q824 WeakPolarHBondContact OD1-CG 3.3Å; Q822-Q824 PolarHBondContact O-N 2.92Å; Q824-Q828 WeakPolarHBondContact O-CG 3.47Å; Q824-Q828 PolarHBondContact O-NE2 3.26Å
825	I	81.2	Confident	71.4	Confident	11 Å²	11	67.3 Å²	67.3	6%	0.056	35%	0.352	C	S	.	.	H	α-helix	trans	-87.9	-41.9	178.7	-60.8	-55.2	0	0	0	110.3	Y819 Q822 E823 N827 Q828 H829	Y819-I825 HydrophobicContact CE1-CD1 4.23Å; Y819-I825 HydrophobicContact CE1-CG1 4.28Å; Y819-I825 HydrophobicContact CE1-CG2 4.25Å; Y819-I825 HydrophobicContact CE2-CD1 3.87Å; Y819-I825 HydrophobicContact CE2-CG1 4.09Å; Y819-I825 WeakPolarHBondContact O-CG1 3.42Å; Y819-I825 VanDerWaalsContact OH-CD1 3.32Å; Y819-I825 WeakPolarHBondContact OH-CD1 3.16Å; Q822-I825 HydrophobicContact CB-CB 4.38Å; Q822-I825 HydrophobicContact CB-CG1 4.04Å; Q822-I825 WeakPolarHBondContact O-CA 3.37Å; Q822-I825 WeakPolarHBondContact O-CB 3.44Å; Q822-I825 PolarHBondContact O-N 2.98Å; E823-I825 PolarHBondContact O-N 2.72Å; I825-N827 VanDerWaalsContact C-N 3.3Å; I825-N827 PolarHBondContact O-N 3.19Å; I825-Q828 WeakPolarHBondContact O-CB 3.44Å; I825-Q828 PolarHBondContact O-N 3.24Å; I825-Q828 VanDerWaalsContact O-N 3.07Å; I825-H829 PolarHBondContact O-CD2 3.39Å; I825-H829 VanDerWaalsContact O-CD2 3.28Å; I825-H829 PolarHBondContact O-N 3.08Å; I825-H829 VanDerWaalsContact O-N 3.11Å
826	K	82.4	Confident	68.2	Low	93 Å²	93	74.3 Å²	74.3	40%	0.404	39%	0.389	S	S	.	.	H	α-helix	trans	-55.8	-45.2	172.5	-64.9	179.2	-169.5	161.3	0	111.8	N821 Q822 E823 Q828 H829 G830	N821-K826 WeakPolarHBondContact O-CE 3.4Å; N821-K826 PolarHBondContact O-NZ 3.48Å; Q822-K826 PolarHBondContact O-N 2.87Å; E823-K826 PolarHBondContact O-N 2.86Å; E823-K826 IonicContact OE1-NZ 2.72Å; E823-K826 PolarHBondContact OE1-NZ 2.74Å; K826-Q828 PolarHBondContact O-N 2.92Å; K826-H829 PolarHBondContact O-N 3.49Å; K826-H829 VanDerWaalsContact O-N 3.12Å; K826-G830 PolarHBondContact O-N 2.87Å
827	N	77.5	Confident	65.1	Low	54 Å²	54	78.4 Å²	78.4	29%	0.289	42%	0.415	S	S	.	.	H	α-helix	trans	-60.7	-30.6	177.4	-74.1	-20.7	0	0	0	112.9	K638 N640 E823 I825	K638-N827 PolarHBondContact O-ND2 3.48Å; N640-N827 PolarHBondContact OD1-ND2 2.58Å; E823-N827 WeakPolarHBondContact O-CB 3.35Å; E823-N827 PolarHBondContact O-N 3.43Å; E823-N827 PolarHBondContact O-ND2 3.11Å; I825-N827 VanDerWaalsContact C-N 3.3Å; I825-N827 PolarHBondContact O-N 3.19Å
828	Q	72.4	Confident	62.2	Low	83 Å²	83	81.8 Å²	81.8	39%	0.388	44%	0.436	S	S	.	.	H	α-helix	trans	-76.5	-36.2	174.4	-71.7	174.5	34	0	0	113	P556 Q824 I825 K826	P556-Q828 VanDerWaalsContact CG-NE2 3.3Å; Q824-Q828 WeakPolarHBondContact O-CG 3.47Å; Q824-Q828 PolarHBondContact O-NE2 3.26Å; I825-Q828 WeakPolarHBondContact O-CB 3.44Å; I825-Q828 PolarHBondContact O-N 3.24Å; I825-Q828 VanDerWaalsContact O-N 3.07Å; K826-Q828 PolarHBondContact O-N 2.92Å
829	H	66.1	Low	59.5	Low	83 Å²	83	88.3 Å²	88.3	38%	0.384	47%	0.471	S	S	.	.	H	α-helix	trans	-80.1	-31.5	-177.2	-76.9	-69.1	0	0	0	113.5	I825 K826 N831 K832	I825-H829 PolarHBondContact O-CD2 3.39Å; I825-H829 VanDerWaalsContact O-CD2 3.28Å; I825-H829 PolarHBondContact O-N 3.08Å; I825-H829 VanDerWaalsContact O-N 3.11Å; K826-H829 PolarHBondContact O-N 3.49Å; K826-H829 VanDerWaalsContact O-N 3.12Å; H829-N831 PolarHBondContact O-N 3.42Å; H829-N831 VanDerWaalsContact O-N 3.09Å; H829-K832 PolarHBondContact O-N 2.81Å
830	G	55.6	Low	56.8	Low	44 Å²	44	95.5 Å²	95.5	45%	0.454	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-29.3	177	0	0	0	0	0	113.9	K826	K826-G830 PolarHBondContact O-N 2.87Å
831	N	46.1	Very low	54.3	Low	87 Å²	87	101.2 Å²	101.2	47%	0.465	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-11	179.2	-79	-6.7	0	0	0	115.2	H829 T834	H829-N831 PolarHBondContact O-N 3.42Å; H829-N831 VanDerWaalsContact O-N 3.09Å; N831-T834 PolarHBondContact O-OG1 2.96Å
832	K	39.5	Very low	51.6	Low	164 Å²	164	105.7 Å²	105.7	71%	0.713	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-22.4	173.3	-76.4	-171.9	179	-179.9	0	112.7	H829	H829-K832 PolarHBondContact O-N 2.81Å
833	Q	32.9	Very low	50	Low	166 Å²	166	119.7 Å²	119.7	78%	0.776	61%	0.612	S	S	*	*	S	Bend	trans	-86.2	-16.6	179.5	-71.8	-173.3	-3.1	0	0	113.5
834	T	34.8	Very low	48.6	Very low	117 Å²	117	122.1 Å²	122.1	72%	0.718	63%	0.626	S	S	*	*	S	Bend	trans	-91.7	-1	176.1	50.5	0	0	0	0	113.9	N831	N831-T834 PolarHBondContact O-OG1 2.96Å
835	G	32.8	Very low	47.2	Very low	58 Å²	58	127.8 Å²	127.8	60%	0.598	66%	0.656	S	S	*	*	S	Bend	trans	-103.8	1.1	-175.5	0	0	0	0	0	116.7
836	N	29	Very low	45.3	Very low	146 Å²	146	134.3 Å²	134.3	78%	0.781	69%	0.689	S	S	*	*	S	Bend	trans	-144.1	28.1	-166.4	-112.1	27	0	0	0	116
837	N	27.7	Very low	43.1	Very low	146 Å²	146	136.8 Å²	136.8	78%	0.781	71%	0.706	S	S	*	*			trans	-121.8	24.3	179.6	-87.1	16	0	0	0	115.1
838	D	32	Very low	40.9	Very low	163 Å²	163	141.9 Å²	141.9	87%	0.872	73%	0.732	S	S	*	*	S	Bend	trans	-107	5.9	177.8	-78.8	-2.8	0	0	0	115.2
839	D	36.3	Very low	38.8	Very low	164 Å²	164	145.9 Å²	145.9	88%	0.877	76%	0.755	S	S	*	*	S	Bend	trans	-124.7	15.5	-178.1	-78.9	-26.7	0	0	0	115.9
840	E	33.7	Very low	36.9	Very low	179 Å²	179	150.4 Å²	150.4	84%	0.836	78%	0.781	S	S	*	*	S	Bend	trans	-131.3	74.3	172.2	-72.2	-170.7	176.7	0	0	111.1
841	D	35.4	Very low	35.5	Very low	168 Å²	168	158.5 Å²	158.5	90%	0.898	81%	0.806	S	S	*	*			trans	-171.8	61	153.1	-90.9	-22.7	0	0	0	110.9
842	M	31.5	Very low	34.6	Very low	192 Å²	192	164.5 Å²	164.5	95%	0.946	84%	0.835	S	S	*	*			trans	-141.1	80	163.2	-87.9	-85	-108.4	0	0	108.6
843	Y	49.1	Very low	34.1	Very low	311 Å²	311	164.5 Å²	164.5	100%	1.22	85%	0.846	S	S	*	*			trans	-108.3	0	158.9	-97.8	-74.1	0	0	0	109.9

Retrieved 843 of 843 residues in 1632.8 ms (Link to these results)

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