A0A3Q0KTQ4_SCHMA Loading...

Eukaryotic translation initiation factor 2c,putative

AlphaFold DB (A0A5K4EY21), UniProt , Accession A0A3Q0KTQ4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 921 aa.

						>A0A3Q0KTQ4_SCHMA|A0A3Q0KTQ4
MSDRGFYGPPRGRGSSTGRGAPRGPHGPSYSMPPPSAQGARSRYGPPSGGYPSSNSSRSHAPPGQNAAYSSSETISEAARQKKSHPIKRQICDLSEDISKLSIDKVVRIPNRPDRGGTVGRKVTVTSNCWDLAFLPKTVYLYFLEASAVYRVGADEGSKTEIRMPPKEKRALIQQVVDSFPESIIYDGGHSVYSESPLPGITTDPVEKEIDIKDPLGRDRLLLTYRVMEVQKVSTADINHFITSPKATSLNMPQESIRLLDCILKTVSKQAFVSLGRSALFYDRPVKVVADKLFTIHKGFITSVRPQWKVRVNLDMTCKAFFTAGNLADVMYEKYGDNIARCSSQMAHDLRRIRVETDKFYKNENGDAYSRRFTVHGISSVSADKLMIEERKQSVAAYFDEHHHIKLKYPDLPCVKVDQKREVYMPMELLNILPFQAPNASKADVASEVIRCAAVRPQERFQELQTFSNSMLKSHPLIKQFGLAVQSRPVDVSARVLQPPSAAFGRSRVISLKAGSWTSPGFYDPAGHGVELLWAILCVPPDRRSQGHVQKVIHELPRAADRVGIRLSSRPHLSQCPIGELNRKFDEFSRQGCAFLLLILYDEHAYPAIKRLSDLQIGIRTQCVRSRTLDKPNVFPNLLLKINGKLGGVNWQIPDLIKNSDELIMVFGADVTHPAQTQQVRKSVAAVLGSVSPDLMRYGVVIRQQATTEKGNKAAREIIDDMRLIVKELLQLYLRNTNGRFPTRMIFYRDGVSEGQFENVLVEELAAIQRACSDVRPGEEPAITYIVVQKRHHIRFKPSDPRARNVEPGTVVDTEITHPREFDFYLCSQDGIQGTSKPAHYHVLYDDSNWSSDALQMFTYHLCYTYMRCSRSVSYPAPTYYSHLAAFRARDWLSGVDQPAVLLDSGRFKVHASQVDGMFYL
					

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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	33.3	Very low	29.5	Very low	247 Å²	247	166 Å²	166	100%	1.217	87%	0.867	S	S	*	*				0	124.7	0	-82.3	169.5	167.3	0	0	107.8
2	S	28.8	Very low	29.5	Very low	100 Å²	100	158.7 Å²	158.7	70%	0.699	86%	0.862	S	S	*	*			trans	-65.6	139.6	177.3	44.8	0	0	0	0	112.7
3	D	31.9	Very low	29.1	Very low	157 Å²	157	166.7 Å²	166.7	84%	0.84	87%	0.872	S	S	*	*			trans	-160.6	100.3	145.3	-90.7	-30.1	0	0	0	106.8
4	R	27.7	Very low	29	Very low	240 Å²	240	159.3 Å²	159.3	91%	0.906	86%	0.856	S	S	*	*				56.7	111.3	79.3	-75.2	-168.3	175.9	-178.1	1.1	113.7
5	G	30.4	Very low	28.7	Very low	81 Å²	81	156.5 Å²	156.5	84%	0.835	85%	0.853	S	S	*	*			trans	-177.6	70.3	171.1	0	0	0	0	0	111.8
6	F	24.5	Very low	28.3	Very low	196 Å²	196	152.5 Å²	152.5	86%	0.86	84%	0.841	S	S	*	*			trans	-62.3	140.4	164.6	-93.9	-105.8	0	0	0	110.4
7	Y	32.3	Very low	28.2	Very low	237 Å²	237	152 Å²	152	93%	0.929	84%	0.843	S	S	*	*			trans	-167	124.3	131.6	-97.2	-71.4	0	0	0	109.7
8	G	23.5	Very low	28	Very low	65 Å²	65	147.7 Å²	147.7	67%	0.67	84%	0.839	S	S	*	*			trans	-88.5	-157.8	169.5	0	0	0	0	0	112.4
9	P	40.1	Very low	27.7	Very low	121 Å²	121	152.9 Å²	152.9	79%	0.786	84%	0.844	S	S	*	*				-115.6	-178.9	-103.9	39.4	-30.8	0	0	0	113.7
10	P	26.2	Very low	27.5	Very low	130 Å²	130	149 Å²	149	84%	0.844	84%	0.84	S	S	*	*				-131.9	145.2	127.4	33.1	-20.4	0	0	0	114.4
11	R	25.5	Very low	27.3	Very low	252 Å²	252	146.4 Å²	146.4	95%	0.951	84%	0.837	S	S	*	*			trans	-62.4	137	172.2	-68.9	167.6	164.8	173.7	-5	111
12	G	29.8	Very low	27	Very low	78 Å²	78	140.5 Å²	140.5	80%	0.804	82%	0.817	S	S	*	*			trans	-145.9	105.1	165.2	0	0	0	0	0	110.4
13	R	24.6	Very low	26.8	Very low	263 Å²	263	144.4 Å²	144.4	99%	0.992	82%	0.817	S	S	*	*			trans	-70.9	141.6	173.1	-99.2	176	166.3	176.4	-5	110.5
14	G	27.7	Very low	26.5	Very low	63 Å²	63	138.9 Å²	138.9	65%	0.649	80%	0.797	S	S	*	*			trans	161.5	86.8	164.3	0	0	0	0	0	109.7
15	S	24.3	Very low	26.5	Very low	117 Å²	117	132.4 Å²	132.4	82%	0.818	79%	0.786	S	S	*	*				31.9	130.6	90.9	73	0	0	0	0	113.1
16	S	22.6	Very low	26.6	Very low	93 Å²	93	132.5 Å²	132.5	65%	0.65	76%	0.764	S	S	*	*			cis	-178.4	165.6	-3.2	56	0	0	0	0	103.8
17	T	27	Very low	26.6	Very low	144 Å²	144	125.6 Å²	125.6	88%	0.883	75%	0.748	S	S	*	*			trans	72.1	135.3	171.8	81.2	0	0	0	0	114.8
18	G	23.7	Very low	26.7	Very low	74 Å²	74	116.8 Å²	116.8	76%	0.763	72%	0.72	S	S	*	*			cis	172.2	107.6	8.1	0	0	0	0	0	106.6
19	R	22.8	Very low	26.9	Very low	248 Å²	248	116.8 Å²	116.8	94%	0.936	71%	0.71	S	S	*	*			trans	-53.4	134.7	170.3	-72.3	171.4	168.1	174.9	-2.4	109.9
20	G	22.7	Very low	26.6	Very low	74 Å²	74	116.8 Å²	116.8	76%	0.763	70%	0.695	S	S	*	*			trans	-169.9	44.9	173.7	0	0	0	0	0	115.2	P22	G20-P22 WeakPolarHBondContact O-CD 3.18Å
21	A	24.6	Very low	26.7	Very low	94 Å²	94	114 Å²	114	78%	0.777	68%	0.679	S	S	*	*			trans	-95.6	113	172.1	0	0	0	0	0	110.9
22	P	26.6	Very low	26.7	Very low	124 Å²	124	109 Å²	109	81%	0.805	67%	0.668	S	S	*	*			trans	-76.9	127.4	-179.2	28.5	-30.1	0	0	0	111.4	G20	G20-P22 WeakPolarHBondContact O-CD 3.18Å
23	R	25.2	Very low	26.6	Very low	182 Å²	182	110.1 Å²	110.1	69%	0.687	66%	0.661	S	S	*	*			trans	-107.1	107.8	175.5	-76	-175.5	173.4	-177.3	-2	110
24	G	25.3	Very low	26.8	Very low	41 Å²	41	100 Å²	100	42%	0.423	63%	0.629	S	S	.	*			trans	-104.1	171.9	168.8	0	0	0	0	0	112.8	Q676	G24-Q676 VanDerWaalsContact C-OE1 3.3Å
25	P	27.9	Very low	26.7	Very low	104 Å²	104	101.2 Å²	101.2	68%	0.675	63%	0.626	S	S	*	*			trans	-82.1	125.5	-144.5	32.3	-35.6	0	0	0	116.9	G27 Q676	P25-G27 PolarHBondContact O-N 3.2Å; P25-Q676 VanDerWaalsContact C-OE1 3.26Å; P25-Q676 VanDerWaalsContact CD-OE1 3.27Å; P25-Q676 PolarHBondContact O-NE2 2.73Å; P25-Q676 PolarHBondContact O-OE1 3.01Å
26	H	31.6	Very low	26.7	Very low	82 Å²	82	100 Å²	100	38%	0.38	62%	0.617	S	S	.	*			trans	-78.3	97.6	-172	-61.4	-40.2	0	0	0	116.2	K442 T677	H26-K442 VanDerWaalsContact O-CE 3.31Å; H26-K442 WeakPolarHBondContact O-CE 3.37Å; H26-K442 PolarHBondContact O-NZ 3.23Å; H26-T677 HydrophobicContact CB-CG2 3.49Å; H26-T677 VanDerWaalsContact CB-CG2 3.49Å; H26-T677 VanDerWaalsContact CE1-CG2 3.41Å; H26-T677 WeakPolarHBondContact CE1-CG2 3.13Å; H26-T677 WeakPolarHBondContact ND1-CG2 3.33Å; H26-T677 PolarHBondContact ND1-N 2.57Å
27	G	24.2	Very low	26.9	Very low	51 Å²	51	98.3 Å²	98.3	53%	0.526	61%	0.609	S	S	.	*			trans	-101.1	133.2	162	0	0	0	0	0	112.7	P25 A675	P25-G27 PolarHBondContact O-N 3.2Å; G27-A675 VanDerWaalsContact O-CB 3.23Å; G27-A675 WeakPolarHBondContact O-CB 3.4Å
28	P	34.2	Very low	26.7	Very low	53 Å²	53	100.8 Å²	100.8	34%	0.344	61%	0.61	S	S	.	*			trans	-122.3	137.4	161.6	30.8	-12.2	0	0	0	111.4	K442 A675	P28-K442 VanDerWaalsContact CD-CD 3.4Å; P28-K442 VanDerWaalsContact CD-NZ 3.29Å; P28-K442 HydrophobicContact CG-CD 3.33Å; P28-A675 HydrophobicContact CB-CB 4.09Å
29	S	29	Very low	26.8	Very low	64 Å²	64	98.6 Å²	98.6	45%	0.448	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-73.1	127.2	172	47.1	0	0	0	0	111.3
30	Y	33.4	Very low	26.8	Very low	121 Å²	121	90.9 Å²	90.9	48%	0.475	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-84.3	136.5	173.5	-79.4	-78.7	0	0	0	112.3	K442 A443 A446	Y30-K442 HydrophobicContact CE2-CB 4.2Å; Y30-K442 WeakPolarHBondContact OH-CA 2.85Å; Y30-K442 WeakPolarHBondContact OH-CB 3.27Å; Y30-K442 PolarHBondContact OH-O 3.38Å; Y30-A443 WeakPolarHBondContact OH-CA 3.45Å; Y30-A443 PolarHBondContact OH-N 3.3Å; Y30-A446 HydrophobicContact CD2-CB 3.71Å; Y30-A446 HydrophobicContact CE2-CB 3.57Å; Y30-A446 HydrophobicContact CG-CB 4.36Å
31	S	27.6	Very low	26.7	Very low	72 Å²	72	98.5 Å²	98.5	50%	0.503	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-58.1	126	152.9	54.4	0	0	0	0	109.6	P33	S31-P33 WeakPolarHBondContact O-CD 3.4Å
32	M	26.7	Very low	26.6	Very low	146 Å²	146	99.3 Å²	99.3	72%	0.719	58%	0.583	S	S	*	*			trans	-79.3	110.8	151.6	-78.6	-153.9	155.4	0	0	107.1	I450	M32-I450 HydrophobicContact CE-CD1 4.41Å
33	P	26.3	Very low	26.3	Very low	102 Å²	102	104.2 Å²	104.2	66%	0.662	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-61.6	137.5	156.2	20.6	-18.3	0	0	0	107	S31	S31-P33 WeakPolarHBondContact O-CD 3.4Å
34	P	29.1	Very low	26.3	Very low	51 Å²	51	106.5 Å²	106.5	33%	0.331	60%	0.596	S	S	.	*	P	Polyproline II helix	trans	-53.8	142.9	171.6	22.8	-31.4	0	0	0	108.7	S36	P34-S36 PolarHBondContact O-N 2.97Å
35	P	26	Very low	26.2	Very low	88 Å²	88	107.1 Å²	107.1	57%	0.571	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-52.8	116.3	-175.5	17.2	-28.7	0	0	0	109.5	A37 I832	P35-A37 PolarHBondContact O-N 2.83Å; P35-A37 VanDerWaalsContact O-N 3.16Å; P35-I832 HydrophobicContact CB-CD1 4.14Å; P35-I832 HydrophobicContact CG-CD1 3.72Å
36	S	24.7	Very low	26.7	Very low	92 Å²	92	106.9 Å²	106.9	64%	0.643	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-62.9	116.9	175.9	53	0	0	0	0	108.4	P34 Q38	P34-S36 PolarHBondContact O-N 2.97Å; S36-Q38 PolarHBondContact O-N 3.22Å; S36-Q38 VanDerWaalsContact O-N 3.15Å
37	A	26	Very low	26.3	Very low	57 Å²	57	107.8 Å²	107.8	47%	0.471	61%	0.613	S	S	.	*	P	Polyproline II helix	trans	-55.6	117.8	172.3	0	0	0	0	0	109.2	P35 G39	P35-A37 PolarHBondContact O-N 2.83Å; P35-A37 VanDerWaalsContact O-N 3.16Å; A37-G39 PolarHBondContact O-N 3.45Å
38	Q	24	Very low	26.2	Very low	196 Å²	196	110.5 Å²	110.5	92%	0.916	63%	0.625	S	S	*	*			trans	-68.4	102	165.9	-67.7	-178.1	6	0	0	106.6	S36	S36-Q38 PolarHBondContact O-N 3.22Å; S36-Q38 VanDerWaalsContact O-N 3.15Å
39	G	25	Very low	25.7	Very low	29 Å²	29	112.1 Å²	112.1	30%	0.299	65%	0.651	S	S	.	*	P	Polyproline II helix	trans	-74.1	128.6	-176.6	0	0	0	0	0	112.1	A37 P632	A37-G39 PolarHBondContact O-N 3.45Å; G39-P632 WeakPolarHBondContact O-CG 3.47Å
40	A	23.5	Very low	25.4	Very low	85 Å²	85	111.5 Å²	111.5	70%	0.702	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-67.1	143.4	170.2	0	0	0	0	0	111.4
41	R	19.7	Very low	24.8	Very low	234 Å²	234	115.9 Å²	115.9	88%	0.883	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-67.1	129.5	-177.9	-73	172.2	166.7	173.6	-5.2	111.3
42	S	23.5	Very low	24.9	Very low	111 Å²	111	117.3 Å²	117.3	78%	0.776	68%	0.679	S	S	*	*			trans	-135.1	120.8	161.9	-177.1	0	0	0	0	108.8
43	R	20.1	Very low	24.8	Very low	227 Å²	227	115.3 Å²	115.3	86%	0.857	68%	0.68	S	S	*	*			trans	-77.4	144.8	176.3	-67.9	171.9	175.2	168.8	-2.4	108.6
44	Y	24.5	Very low	24.6	Very low	231 Å²	231	114.9 Å²	114.9	91%	0.906	68%	0.679	S	S	*	*			trans	-176.4	141.1	138.2	-87.9	-63.9	0	0	0	110.2
45	G	22.3	Very low	24.4	Very low	54 Å²	54	119 Å²	119	56%	0.557	70%	0.698	S	S	*	*			trans	-88	-166.5	-159.3	0	0	0	0	0	118.2	R558	G45-R558 PolarHBondContact O-NH1 3.47Å
46	P	40.1	Very low	24.2	Very low	99 Å²	99	119.5 Å²	119.5	64%	0.643	70%	0.704	S	S	*	*			trans	-107.6	164.8	-163.4	40.5	-30.8	0	0	0	113.2
47	P	23.2	Very low	24.2	Very low	100 Å²	100	119.7 Å²	119.7	65%	0.649	71%	0.705	S	S	*	*				-140.9	132.3	115.8	16.7	5.6	0	0	0	111.1
48	S	22.4	Very low	24	Very low	109 Å²	109	127.7 Å²	127.7	76%	0.762	72%	0.723	S	S	*	*				69.5	115.4	76.6	77.9	0	0	0	0	115.5
49	G	21.9	Very low	24	Very low	86 Å²	86	122.7 Å²	122.7	89%	0.887	71%	0.709	S	S	*	*			trans	122.8	125.7	141.4	0	0	0	0	0	117.3
50	G	22.5	Very low	24	Very low	51 Å²	51	129.9 Å²	129.9	53%	0.526	74%	0.735	S	S	.	*			trans	122.1	84	142.3	0	0	0	0	0	118	R570	G50-R570 PolarHBondContact O-NH2 3.15Å
51	Y	22.2	Very low	24.1	Very low	214 Å²	214	129.8 Å²	129.8	84%	0.839	73%	0.734	S	S	*	*			trans	-60.4	-176.3	150.9	-72	-92.6	0	0	0	111
52	P	30.3	Very low	24.8	Very low	101 Å²	101	124.3 Å²	124.3	66%	0.656	73%	0.729	S	S	*	*			cis	-143.6	-175.9	5.2	40.5	-20.2	0	0	0	116.1
53	S	23.3	Very low	25.2	Very low	105 Å²	105	125 Å²	125	73%	0.734	73%	0.73	S	S	*	*			trans	67.6	147.6	140.8	80.6	0	0	0	0	118.8
54	S	22.4	Very low	25.3	Very low	92 Å²	92	117.4 Å²	117.4	64%	0.643	72%	0.723	S	S	*	*			cis	179.5	-179.7	-7.1	46.9	0	0	0	0	105
55	N	24.4	Very low	25.1	Very low	139 Å²	139	115.4 Å²	115.4	74%	0.743	72%	0.722	S	S	*	*			trans	84.2	103.6	163	-70.4	2.4	0	0	0	116.1
56	S	22.9	Very low	25.3	Very low	98 Å²	98	120.3 Å²	120.3	69%	0.685	74%	0.735	S	S	*	*				72.9	129.7	81.9	89.6	0	0	0	0	109.4
57	S	23.5	Very low	24.5	Very low	95 Å²	95	119.6 Å²	119.6	66%	0.664	74%	0.738	S	S	*	*			cis	175.6	164	39.5	37.1	0	0	0	0	108.7
58	R	22.8	Very low	24.4	Very low	225 Å²	225	119.2 Å²	119.2	85%	0.849	74%	0.743	S	S	*	*			trans	65	114.1	141.4	-82.8	175.2	174.4	176.5	-2.2	118.7
59	S	22.6	Very low	24.5	Very low	91 Å²	91	125.5 Å²	125.5	64%	0.636	75%	0.752	S	S	*	*				94.9	140.1	97.8	73.2	0	0	0	0	109.6
60	H	25.6	Very low	24.4	Very low	181 Å²	181	126.4 Å²	126.4	84%	0.838	75%	0.745	S	S	*	*			cis	-160.4	150.6	28.4	-109.5	-60.1	0	0	0	107.7
61	A	25	Very low	24.5	Very low	82 Å²	82	129.2 Å²	129.2	68%	0.678	76%	0.756	S	S	*	*			trans	-62.8	178.9	154.7	0	0	0	0	0	110.1
62	P	34.8	Very low	24.4	Very low	120 Å²	120	124 Å²	124	78%	0.779	75%	0.751	S	S	*	*			cis	-146.5	-132.6	24.5	31.7	-1.6	0	0	0	112.3
63	P	31.4	Very low	24.2	Very low	124 Å²	124	128.8 Å²	128.8	81%	0.805	77%	0.765	S	S	*	*				-130.1	-173.1	-92	40.8	-22.5	0	0	0	114.3
64	G	23.2	Very low	24	Very low	68 Å²	68	129.8 Å²	129.8	70%	0.701	77%	0.767	S	S	*	*			trans	121.7	98.3	158.8	0	0	0	0	0	112.2
65	Q	21.1	Very low	24.1	Very low	189 Å²	189	132.9 Å²	132.9	88%	0.883	78%	0.775	S	S	*	*				51.9	103.3	64.2	-76.3	-171.3	-4.6	0	0	115.1
66	N	25.1	Very low	24.1	Very low	157 Å²	157	131.1 Å²	131.1	84%	0.84	77%	0.773	S	S	*	*				179.8	113	129.9	-88.6	-24.8	0	0	0	108
67	A	23.1	Very low	23.9	Very low	84 Å²	84	135.5 Å²	135.5	69%	0.694	78%	0.782	S	S	*	*				67.9	95.1	88.5	0	0	0	0	0	111.2
68	A	20.8	Very low	23.9	Very low	93 Å²	93	135.8 Å²	135.8	77%	0.769	79%	0.791	S	S	*	*				73.6	108	88.2	0	0	0	0	0	113.1
69	Y	25.2	Very low	24	Very low	241 Å²	241	130.1 Å²	130.1	95%	0.945	79%	0.792	S	S	*	*			trans	-138.9	132.8	151.9	-95.3	-81.8	0	0	0	110
70	S	20.3	Very low	24	Very low	105 Å²	105	137 Å²	137	73%	0.734	80%	0.804	S	S	*	*			trans	-120.4	139	-178.8	163.5	0	0	0	0	108.2
71	S	24.4	Very low	23.7	Very low	110 Å²	110	136.3 Å²	136.3	77%	0.769	80%	0.801	S	S	*	*			trans	179.6	121.5	149.4	34.5	0	0	0	0	105.1
72	S	20	Very low	23.6	Very low	105 Å²	105	141.5 Å²	141.5	73%	0.734	81%	0.808	S	S	*	*			cis	62.8	91.1	40.5	81.6	0	0	0	0	114.1
73	E	25.6	Very low	23.2	Very low	200 Å²	200	145.9 Å²	145.9	94%	0.935	82%	0.815	S	S	*	*			trans	-150.9	145.9	143.8	-113.7	174.3	-160.9	0	0	110.6
74	T	19.8	Very low	22.8	Very low	126 Å²	126	145.5 Å²	145.5	77%	0.773	82%	0.815	S	S	*	*			trans	-121.2	150.4	-165.8	-17.1	0	0	0	0	106.8
75	I	24.4	Very low	22.7	Very low	158 Å²	158	151.1 Å²	151.1	81%	0.81	82%	0.823	S	S	*	*			trans	158.1	127.8	134.5	-80	157.8	0	0	0	113.7
76	S	23.6	Very low	23	Very low	101 Å²	101	147.9 Å²	147.9	71%	0.706	82%	0.819	S	S	*	*			trans	54.4	112.2	148.5	77.3	0	0	0	0	125
77	E	20.3	Very low	22.9	Very low	190 Å²	190	147.5 Å²	147.5	89%	0.888	82%	0.815	S	S	*	*				14.8	134	120.8	-73.6	-176.6	146.3	0	0	123.4
78	A	21.8	Very low	22.9	Very low	101 Å²	101	152.8 Å²	152.8	84%	0.835	82%	0.822	S	S	*	*			trans	76.7	95.7	133.4	0	0	0	0	0	120.4
79	A	26.3	Very low	23.3	Very low	106 Å²	106	159.4 Å²	159.4	88%	0.876	83%	0.827	S	S	*	*			trans	-147.3	116.7	138.5	0	0	0	0	0	110.9
80	R	21.4	Very low	23.3	Very low	236 Å²	236	157.7 Å²	157.7	89%	0.891	83%	0.828	S	S	*	*			trans	-73.5	147.8	171.9	-94.1	172.8	168.1	174	-3.7	110.7
81	Q	20.7	Very low	23.9	Very low	166 Å²	166	159.7 Å²	159.7	78%	0.776	83%	0.829	S	S	*	*			trans	86.4	136.3	144.2	-81.3	-176.7	5	0	0	121.3
82	K	21.4	Very low	24.2	Very low	192 Å²	192	159.9 Å²	159.9	84%	0.835	83%	0.829	S	S	*	*			trans	80.1	90.5	160.8	-67.4	176.2	-177.8	-178.2	0	116.8
83	K	27.3	Very low	25	Very low	211 Å²	211	160.2 Å²	160.2	92%	0.917	82%	0.822	S	S	*	*			trans	-118	119.3	146.2	-78.8	-171.8	177	-179.2	0	110.1
84	S	23.4	Very low	25.6	Very low	116 Å²	116	156.1 Å²	156.1	81%	0.811	81%	0.806	S	S	*	*			trans	-59.7	159.4	169.7	43.8	0	0	0	0	113.1
85	H	21.1	Very low	26.6	Very low	186 Å²	186	153.2 Å²	153.2	86%	0.861	79%	0.791	S	S	*	*			trans	-50.6	141.2	-178.5	-66.3	-54.2	0	0	0	116.3
86	P	27.7	Very low	27.2	Very low	122 Å²	122	151.5 Å²	151.5	79%	0.792	78%	0.78	S	S	*	*			trans	-105.8	113.5	154.5	31.2	-18.6	0	0	0	112.4
87	I	21.8	Very low	28.1	Very low	148 Å²	148	151.7 Å²	151.7	76%	0.759	77%	0.773	S	S	*	*			trans	7.5	132.1	136.1	-60.7	174	0	0	0	119.7
88	K	22.9	Very low	29	Very low	195 Å²	195	148 Å²	148	85%	0.848	76%	0.758	S	S	*	*			trans	57.5	127.7	150.8	-70.2	172.5	-179.6	-176	0	121.4
89	R	29.1	Very low	29.7	Very low	233 Å²	233	147.1 Å²	147.1	88%	0.879	75%	0.746	S	S	*	*				-168.8	133.7	108.2	-98.3	170.5	-173.1	-172.6	1.9	110.2	I91	R89-I91 PolarHBondContact O-N 3.5Å
90	Q	25.3	Very low	30.1	Very low	205 Å²	205	149.5 Å²	149.5	96%	0.958	74%	0.736	S	S	*	*			trans	-59.9	113.7	166.2	-90.5	168.9	-39.1	0	0	108.1
91	I	33.5	Very low	30.7	Very low	147 Å²	147	144.7 Å²	144.7	75%	0.754	73%	0.727	S	S	*	*			trans	-106.7	116.7	167.8	-61.5	173.7	0	0	0	104	R89 D93	R89-I91 PolarHBondContact O-N 3.5Å; I91-D93 PolarHBondContact O-N 3.01Å
92	C	31.2	Very low	31.4	Very low	114 Å²	114	140.4 Å²	140.4	77%	0.77	72%	0.716	S	S	*	*			trans	-46.5	127.9	170.1	-82.1	0	0	0	0	108.8	L94	C92-L94 VanDerWaalsContact C-N 3.29Å; C92-L94 PolarHBondContact O-N 2.9Å
93	D	36.2	Very low	32.4	Very low	111 Å²	111	136.8 Å²	136.8	59%	0.594	70%	0.704	S	S	*	*			trans	-73.9	82.8	-169.6	-151.7	-15.5	0	0	0	109.7	I91 S95 E96	I91-D93 PolarHBondContact O-N 3.01Å; D93-S95 VanDerWaalsContact CG-OG 3.25Å; D93-S95 PolarHBondContact O-N 3.09Å; D93-S95 WeakPolarHBondContact OD1-CB 3.46Å; D93-S95 PolarHBondContact OD1-N 3.46Å; D93-S95 PolarHBondContact OD1-OG 2.78Å; D93-E96 PolarHBondContact O-N 3.26Å
94	L	39	Very low	32.9	Very low	115 Å²	115	133.4 Å²	133.4	60%	0.602	70%	0.696	S	S	*	*	H	α-helix	trans	-55.6	-12.9	170.6	-99.5	95.9	0	0	0	111.9	C92 E96 D97 I98	C92-L94 VanDerWaalsContact C-N 3.29Å; C92-L94 PolarHBondContact O-N 2.9Å; L94-E96 VanDerWaalsContact C-N 3.33Å; L94-E96 PolarHBondContact O-N 2.68Å; L94-D97 PolarHBondContact O-N 3.02Å; L94-I98 HydrophobicContact CB-CD1 4.28Å; L94-I98 WeakPolarHBondContact O-CB 3.38Å; L94-I98 WeakPolarHBondContact O-CD1 3.42Å; L94-I98 WeakPolarHBondContact O-CG1 3.38Å; L94-I98 PolarHBondContact O-N 3.2Å
95	S	41	Very low	34.1	Very low	64 Å²	64	136.1 Å²	136.1	45%	0.448	69%	0.694	S	S	.	*	H	α-helix	trans	-67.5	-30.9	178.2	81.7	0	0	0	0	113	D93 S99	D93-S95 VanDerWaalsContact CG-OG 3.25Å; D93-S95 PolarHBondContact O-N 3.09Å; D93-S95 WeakPolarHBondContact OD1-CB 3.46Å; D93-S95 PolarHBondContact OD1-N 3.46Å; D93-S95 PolarHBondContact OD1-OG 2.78Å; S95-S99 WeakPolarHBondContact O-CB 3.41Å; S95-S99 PolarHBondContact O-N 3.36Å; S95-S99 PolarHBondContact O-OG 2.97Å
96	E	37.3	Very low	35.8	Very low	123 Å²	123	132.7 Å²	132.7	58%	0.575	69%	0.685	S	S	*	*	H	α-helix	trans	-72.6	-37.5	175.3	-80.5	-162.1	163.4	0	0	112.3	D93 L94 S99 K100	D93-E96 PolarHBondContact O-N 3.26Å; L94-E96 VanDerWaalsContact C-N 3.33Å; L94-E96 PolarHBondContact O-N 2.68Å; E96-S99 WeakPolarHBondContact CA-OG 3.22Å; E96-S99 PolarHBondContact O-OG 2.71Å; E96-S99 VanDerWaalsContact O-OG 3.09Å; E96-K100 WeakPolarHBondContact O-CG 3.31Å; E96-K100 PolarHBondContact O-N 3.42Å
97	D	40.6	Very low	37.7	Very low	104 Å²	104	128.8 Å²	128.8	56%	0.556	66%	0.66	S	S	*	*	H	α-helix	trans	-74.2	-31	177	-74.4	-24.8	0	0	0	112.1	L94	L94-D97 PolarHBondContact O-N 3.02Å
98	I	39.8	Very low	40.4	Very low	112 Å²	112	131.3 Å²	131.3	57%	0.574	66%	0.659	S	S	*	*	H	α-helix	trans	-73.3	-36.4	175.1	-67.6	165.6	0	0	0	111.3	L94 K100 L101	L94-I98 HydrophobicContact CB-CD1 4.28Å; L94-I98 WeakPolarHBondContact O-CB 3.38Å; L94-I98 WeakPolarHBondContact O-CD1 3.42Å; L94-I98 WeakPolarHBondContact O-CG1 3.38Å; L94-I98 PolarHBondContact O-N 3.2Å; I98-K100 VanDerWaalsContact C-N 3.34Å; I98-L101 PolarHBondContact O-N 3.49Å
99	S	37.4	Very low	43.6	Very low	84 Å²	84	122.5 Å²	122.5	59%	0.587	62%	0.622	S	S	*	*	H	α-helix	trans	-72.3	-26.3	177.1	45.1	0	0	0	0	113	S95 E96 L101	S95-S99 WeakPolarHBondContact O-CB 3.41Å; S95-S99 PolarHBondContact O-N 3.36Å; S95-S99 PolarHBondContact O-OG 2.97Å; E96-S99 WeakPolarHBondContact CA-OG 3.22Å; E96-S99 PolarHBondContact O-OG 2.71Å; E96-S99 VanDerWaalsContact O-OG 3.09Å; S99-L101 VanDerWaalsContact C-N 3.28Å; S99-L101 PolarHBondContact O-N 2.96Å
100	K	33.8	Very low	46.6	Very low	155 Å²	155	112.9 Å²	112.9	67%	0.674	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-15	170.6	-73.2	174	-173.5	165.4	0	114.2	E96 I98 S102	E96-K100 WeakPolarHBondContact O-CG 3.31Å; E96-K100 PolarHBondContact O-N 3.42Å; I98-K100 VanDerWaalsContact C-N 3.34Å; K100-S102 PolarHBondContact O-N 3.3Å
101	L	33.8	Very low	49.8	Very low	135 Å²	135	108.6 Å²	108.6	71%	0.707	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	32.2	172.5	-80.1	160.9	0	0	0	112.2	I98 S99 I103	I98-L101 PolarHBondContact O-N 3.49Å; S99-L101 VanDerWaalsContact C-N 3.28Å; S99-L101 PolarHBondContact O-N 2.96Å; L101-I103 PolarHBondContact O-N 3.22Å
102	S	36.4	Very low	52.6	Low	76 Å²	76	102.9 Å²	102.9	53%	0.531	54%	0.542	S	S	.	.			trans	-58.2	103.7	163.9	-167	0	0	0	0	107.7	K100 D104	K100-S102 PolarHBondContact O-N 3.3Å; S102-D104 PolarHBondContact O-N 3.18Å; S102-D104 PolarHBondContact OG-OD1 3.06Å
103	I	41.7	Very low	55.6	Low	116 Å²	116	100.6 Å²	100.6	60%	0.595	53%	0.526	S	S	*	.			trans	-69.4	79.4	165.5	-59.7	173.1	0	0	0	105.1	L101 K105	L101-I103 PolarHBondContact O-N 3.22Å; I103-K105 HydrophobicContact CG2-CB 3.72Å; I103-K105 HydrophobicContact CG2-CD 4.48Å; I103-K105 HydrophobicContact CG2-CG 4.15Å; I103-K105 PolarHBondContact O-N 3.1Å
104	D	37.9	Very low	58.3	Low	140 Å²	140	97.9 Å²	97.9	75%	0.749	51%	0.511	S	S	*	.			trans	-70.9	18.4	166.6	-86.5	7.6	0	0	0	111	S102 V106	S102-D104 PolarHBondContact O-N 3.18Å; S102-D104 PolarHBondContact OG-OD1 3.06Å; D104-V106 PolarHBondContact O-N 3.35Å
105	K	49.4	Very low	60.8	Low	173 Å²	173	104 Å²	104	75%	0.752	53%	0.526	S	S	*	.			trans	-72.5	90.1	163.4	-66.9	-173.7	177.6	-178.8	0	106.7	I103 V107	I103-K105 HydrophobicContact CG2-CB 3.72Å; I103-K105 HydrophobicContact CG2-CD 4.48Å; I103-K105 HydrophobicContact CG2-CG 4.15Å; I103-K105 PolarHBondContact O-N 3.1Å; K105-V107 PolarHBondContact O-N 2.76Å
106	V	57.2	Low	63.3	Low	114 Å²	114	101.5 Å²	101.5	69%	0.691	51%	0.51	S	S	*	.			trans	-41.9	110.3	159.4	177	0	0	0	0	106.8	D104 R108	D104-V106 PolarHBondContact O-N 3.35Å; V106-R108 HydrophobicContact CG1-CG 4.3Å; V106-R108 PolarHBondContact O-N 3.14Å; V106-R108 VanDerWaalsContact O-N 3.11Å
107	V	66.3	Low	66	Low	41 Å²	41	96.2 Å²	96.2	25%	0.248	49%	0.488	C	S	.	.			trans	-65.1	116.4	-179.5	173.8	0	0	0	0	107.4	K105 L761 V762	K105-V107 PolarHBondContact O-N 2.76Å; V107-L761 HydrophobicContact CG1-CB 4.43Å; V107-L761 HydrophobicContact CG1-CD2 3.1Å; V107-L761 HydrophobicContact CG1-CG 3.71Å; V107-V762 HydrophobicContact CB-CG2 4.42Å; V107-V762 HydrophobicContact CG2-CG2 3.59Å
108	R	79.5	Confident	68.7	Low	200 Å²	200	96.1 Å²	96.1	76%	0.755	49%	0.492	S	S	*	.			trans	-112	121.4	178.3	-69	-173.4	-174.7	-167.8	3.6	108.9	V106	V106-R108 HydrophobicContact CG1-CG 4.3Å; V106-R108 PolarHBondContact O-N 3.14Å; V106-R108 VanDerWaalsContact O-N 3.11Å
109	I	89.5	Confident	71.4	Confident	11 Å²	11	94 Å²	94	6%	0.056	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-60.3	131.3	167.4	-61.8	178	0	0	0	107.4	L250 F757 E821 L844	I109-L250 HydrophobicContact CD1-CD1 4.41Å; I109-L250 HydrophobicContact CD1-CD2 3.95Å; I109-L250 HydrophobicContact CD1-CG 3.85Å; I109-L250 HydrophobicContact CG1-CD1 4.4Å; I109-L250 HydrophobicContact CG1-CG 4.37Å; I109-F757 HydrophobicContact CD1-CD2 4.38Å; I109-E821 HydrophobicContact CB-CG 4.31Å; I109-E821 HydrophobicContact CG2-CB 4.11Å; I109-E821 HydrophobicContact CG2-CG 3.73Å; I109-L844 HydrophobicContact CD1-CD2 4.16Å; I109-L844 HydrophobicContact CG1-CD2 4.4Å
110	P	91.8	Very high	74.2	Confident	30 Å²	30	91.4 Å²	91.4	20%	0.195	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-63.4	143.8	-176.2	25.1	-34.4	0	0	0	111.5	F822 V843 L844	P110-F822 PolarHBondContact O-N 3.5Å; P110-V843 WeakPolarHBondContact CD-O 3.38Å; P110-V843 HydrophobicContact CG-CB 4.44Å; P110-V843 HydrophobicContact CG-CG1 4.01Å; P110-V843 WeakPolarHBondContact CG-O 3.41Å; P110-L844 VanDerWaalsContact CD-C 3.43Å; P110-L844 WeakPolarHBondContact CD-O 3.38Å
111	N	92.3	Very high	77.2	Confident	116 Å²	116	90 Å²	90	62%	0.62	46%	0.461	S	S	*	.	B	Isolated β-bridge	trans	-68	154.8	167.4	-69.8	-40.3	0	0	0	109.9	R820	N111-R820 CarbonylContact C-O 3.48Å; N111-R820 WeakPolarHBondContact CA-O 3.43Å
112	R	92.8	Very high	80.3	Confident	26 Å²	26	91.4 Å²	91.4	10%	0.098	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-54.1	132.2	168.4	-172	-177.3	-55.2	-73.9	-9.7	109.1	D114 D813 T817 H818 R820 E821 F822 D823	R112-D114 WeakPolarHBondContact CD-O 3.42Å; R112-D114 VanDerWaalsContact CG-O 3.25Å; R112-D114 WeakPolarHBondContact CG-O 3.39Å; R112-D114 PolarHBondContact O-N 3.47Å; R112-D813 PolarHBondContact NH1-O 2.88Å; R112-D813 PolarHBondContact NH2-O 3.31Å; R112-T817 PolarHBondContact NH2-OG1 2.77Å; R112-H818 PolarHBondContact NH2-O 2.79Å; R112-R820 PolarHBondContact N-O 3.33Å; R112-E821 PolarHBondContact NH2-O 3.36Å; R112-E821 VanDerWaalsContact NH2-O 3.07Å; R112-F822 HydrophobicContact CG-CD2 4.46Å; R112-D823 PolarHBondContact NH1-O 3.25Å; R112-D823 VanDerWaalsContact NH1-O 3.1Å; R112-D823 PolarHBondContact NH2-O 3.03Å; R112-D823 IonicContact NH2-OD1 3.95Å; R112-D823 PolarHBondContact NH2-OD1 3.2Å
113	P	94.1	Very high	83.1	Confident	66 Å²	66	89.1 Å²	89.1	43%	0.429	44%	0.444	S	S	.	.	S	Bend	trans	-69.1	-18.3	-175.6	27.8	-37.6	0	0	0	113.5	F822 W850	P113-F822 HydrophobicContact CG-CD1 4.1Å; P113-F822 HydrophobicContact CG-CE1 3.83Å; P113-F822 HydrophobicContact CG-CZ 4.06Å; P113-W850 WeakPolarHBondContact CB-O 3.33Å; P113-W850 WeakPolarHBondContact CG-O 3.39Å
114	D	93.7	Very high	85.8	Confident	54 Å²	54	87 Å²	87	29%	0.289	44%	0.436	S	S	.	.	S	Bend	trans	-151	-167.4	-172.4	51.9	41.6	0	0	0	111	R112 G116 S852	R112-D114 WeakPolarHBondContact CD-O 3.42Å; R112-D114 VanDerWaalsContact CG-O 3.25Å; R112-D114 WeakPolarHBondContact CG-O 3.39Å; R112-D114 PolarHBondContact O-N 3.47Å; D114-G116 PolarHBondContact O-N 2.75Å; D114-G116 WeakPolarHBondContact OD1-CA 3.24Å; D114-G116 PolarHBondContact OD1-N 3.32Å; D114-S852 VanDerWaalsContact CG-OG 3.27Å; D114-S852 VanDerWaalsContact OD1-CB 3.23Å; D114-S852 WeakPolarHBondContact OD1-CB 3.32Å; D114-S852 PolarHBondContact OD1-OG 2.88Å; D114-S852 WeakPolarHBondContact OD2-CB 3.46Å; D114-S852 PolarHBondContact OD2-N 3.18Å; D114-S852 PolarHBondContact OD2-OG 2.54Å
115	R	91.7	Very high	88.7	Confident	245 Å²	245	80.4 Å²	80.4	93%	0.925	40%	0.401	S	S	*	.	S	Bend	trans	-88.8	22.3	178.5	-62.5	-174	-179.1	-176.3	0.9	113.2
116	G	92	Very high	91	Very high	10 Å²	10	72.6 Å²	72.6	10%	0.103	37%	0.368	C	S	.	.	S	Bend	trans	97.2	153.5	-165.8	0	0	0	0	0	110.7	D114	D114-G116 PolarHBondContact O-N 2.75Å; D114-G116 WeakPolarHBondContact OD1-CA 3.24Å; D114-G116 PolarHBondContact OD1-N 3.32Å
117	G	94.5	Very high	92.9	Very high	12 Å²	12	67.2 Å²	67.2	12%	0.124	34%	0.335	C	S	.	.			trans	-69.7	161.3	-178.4	0	0	0	0	0	112.9	R495 D813 D853	G117-R495 WeakPolarHBondContact O-CD 3.26Å; G117-R495 VanDerWaalsContact O-CZ 3.24Å; G117-R495 PolarHBondContact O-NE 3.14Å; G117-D813 PolarHBondContact N-OD2 3.31Å; G117-D853 WeakPolarHBondContact CA-OD1 3.47Å
118	T	96.7	Very high	94.4	Very high	103 Å²	103	65.2 Å²	65.2	63%	0.632	32%	0.323	S	S	*	.			trans	-122.4	-17.8	-173.6	63.7	0	0	0	0	113.2	D853	T118-D853 PolarHBondContact N-OD1 3.13Å; T118-D853 PolarHBondContact N-OD2 2.76Å; T118-D853 PolarHBondContact OG1-OD2 2.96Å
119	V	96.4	Very high	95.3	Very high	68 Å²	68	55.7 Å²	55.7	41%	0.412	29%	0.287	S	S	.	.			trans	-78	142.7	-176.2	172.5	0	0	0	0	111.6	R495 L497 D853 M857	V119-R495 WeakPolarHBondContact O-CD 3.25Å; V119-R495 PolarHBondContact O-NH1 3.14Å; V119-L497 WeakPolarHBondContact O-CD2 3.34Å; V119-D853 HydrophobicContact CB-CB 4.06Å; V119-D853 WeakPolarHBondContact CB-OD1 3.36Å; V119-D853 HydrophobicContact CG2-CB 3.82Å; V119-D853 WeakPolarHBondContact CG2-OD2 3.23Å; V119-D853 VanDerWaalsContact N-CG 3.31Å; V119-D853 PolarHBondContact N-OD1 2.83Å; V119-D853 PolarHBondContact N-OD2 2.67Å; V119-D853 VanDerWaalsContact N-OD2 3.17Å; V119-M857 HydrophobicContact CG1-CE 3.57Å
120	G	96.8	Very high	95.7	Very high	28 Å²	28	55.2 Å²	55.2	29%	0.289	29%	0.285	S	S	.	.	S	Bend	trans	98.8	170.8	179.7	0	0	0	0	0	113	K122 V496	G120-K122 PolarHBondContact O-N 2.7Å; G120-V496 WeakPolarHBondContact CA-O 3.44Å
121	R	97.3	Very high	95.9	Very high	127 Å²	127	55 Å²	55	48%	0.479	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	118.8	-175.7	-178.9	170.2	60.6	106.3	0.4	109.7	V123 R495 V496 E807	R121-V123 HydrophobicContact CG-CG1 4.44Å; R121-V123 PolarHBondContact O-N 3.48Å; R121-R495 CarbonylContact O-C 3.33Å; R121-R495 VanDerWaalsContact O-CA 3.3Å; R121-R495 WeakPolarHBondContact O-CA 3.31Å; R121-V496 PolarHBondContact N-O 2.75Å; R121-V496 PolarHBondContact O-N 3.4Å; R121-E807 IonicContact CZ-OE2 2.7Å; R121-E807 IonicContact NH2-OE1 3.85Å; R121-E807 PolarHBondContact NH2-OE1 2.9Å; R121-E807 IonicContact NH2-OE2 3.37Å; R121-E807 PolarHBondContact NH2-OE2 3.3Å
122	K	97.6	Very high	96.1	Very high	164 Å²	164	50.1 Å²	50.1	71%	0.713	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.7	131.4	174.2	-66.7	-176.1	179.3	-179	0	110.3	G120 R495	G120-K122 PolarHBondContact O-N 2.7Å; K122-R495 HydrophobicContact CG-CG 4.41Å
123	V	97.1	Very high	96.3	Very high	28 Å²	28	51.5 Å²	51.5	17%	0.17	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	165.2	175.5	-61.4	0	0	0	0	108.9	R121 V125 A494 V496	R121-V123 HydrophobicContact CG-CG1 4.44Å; R121-V123 PolarHBondContact O-N 3.48Å; V123-V125 HydrophobicContact CG2-CG1 4.48Å; V123-A494 HydrophobicContact CG2-CB 3.92Å; V123-A494 PolarHBondContact N-O 3.07Å; V123-A494 CarbonylContact O-C 3.6Å; V123-A494 PolarHBondContact O-N 3.14Å; V123-V496 HydrophobicContact CG1-CG2 3.94Å; V123-V496 HydrophobicContact CG2-CG2 3.84Å
124	T	97.7	Very high	96.3	Very high	70 Å²	70	49.2 Å²	49.2	43%	0.429	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	143.7	168.8	-56.8	0	0	0	0	108.2	D491 S799	T124-D491 HydrophobicContact CG2-CB 3.81Å; T124-S799 PolarHBondContact O-OG 2.96Å
125	V	97.9	Very high	96.5	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.018	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	145.5	171	-60.7	0	0	0	0	109.6	V123 D491 V492 A494 F796 V806 T810 V812	V123-V125 HydrophobicContact CG2-CG1 4.48Å; V125-D491 WeakPolarHBondContact O-CA 3.31Å; V125-V492 HydrophobicContact CG2-CG2 3.5Å; V125-V492 PolarHBondContact N-O 3.25Å; V125-V492 VanDerWaalsContact N-O 3.08Å; V125-V492 WeakPolarHBondContact O-CG2 3.4Å; V125-V492 PolarHBondContact O-N 3.16Å; V125-A494 HydrophobicContact CG1-CB 4.23Å; V125-A494 HydrophobicContact CG2-CB 3.94Å; V125-F796 HydrophobicContact CB-CB 4.3Å; V125-F796 HydrophobicContact CG2-CB 4.25Å; V125-F796 HydrophobicContact CG2-CD1 3.78Å; V125-F796 HydrophobicContact CG2-CE1 4.38Å; V125-F796 HydrophobicContact CG2-CG 4.09Å; V125-V806 HydrophobicContact CB-CG1 4.49Å; V125-V806 HydrophobicContact CG1-CG1 3.91Å; V125-T810 HydrophobicContact CG1-CG2 4.17Å; V125-V812 HydrophobicContact CG2-CG2 4Å
126	T	98.2	Very high	96.7	Very high	9 Å²	9	43.4 Å²	43.4	6%	0.055	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	121.7	172.9	-46.6	0	0	0	0	108.8	F461 P489 D491 F796 K797	T126-F461 HydrophobicContact CG2-CD1 4.12Å; T126-F461 HydrophobicContact CG2-CE1 3.85Å; T126-F461 WeakPolarHBondContact O-CE1 3.38Å; T126-F461 VanDerWaalsContact O-CZ 3.26Å; T126-F461 WeakPolarHBondContact O-CZ 3.31Å; T126-P489 HydrophobicContact CG2-CB 3.68Å; T126-P489 HydrophobicContact CG2-CG 3.46Å; T126-P489 VanDerWaalsContact CG2-CG 3.46Å; T126-D491 WeakPolarHBondContact CA-OD1 3.41Å; T126-D491 VanDerWaalsContact CB-OD1 3.24Å; T126-D491 WeakPolarHBondContact CB-OD1 3.21Å; T126-D491 WeakPolarHBondContact CG2-OD1 3.38Å; T126-D491 PolarHBondContact OG1-OD1 3.41Å; T126-F796 CarbonylContact O-C 3.53Å; T126-F796 WeakPolarHBondContact O-CA 3.46Å; T126-K797 PolarHBondContact N-O 2.86Å; T126-K797 PolarHBondContact O-N 3.01Å; T126-K797 WeakPolarHBondContact OG1-CE 3.46Å
127	S	98.1	Very high	96.8	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	153.3	172.5	74	0	0	0	0	110.8	C129 F461 P489 V490	S127-C129 PolarHBondContact O-N 2.8Å; S127-C129 PolarHBondContact OG-N 3.36Å; S127-F461 WeakPolarHBondContact O-CE1 3.44Å; S127-P489 VanDerWaalsContact O-CB 3.3Å; S127-P489 WeakPolarHBondContact O-CB 3.21Å; S127-V490 PolarHBondContact N-O 3.27Å; S127-V490 PolarHBondContact OG-O 3.17Å
128	N	97.8	Very high	96.9	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-79.7	41.6	171.1	67	-30.5	0	0	0	112.7	W130 N313 L314 F461 L464 H793 I794 R795	N128-W130 HydrophobicContact CB-CZ3 4.21Å; N128-W130 VanDerWaalsContact O-CZ3 3.3Å; N128-W130 WeakPolarHBondContact O-CZ3 3.48Å; N128-N313 PolarHBondContact ND2-ND2 2.83Å; N128-N313 PolarHBondContact O-ND2 2.79Å; N128-N313 PolarHBondContact OD1-ND2 3.29Å; N128-L314 WeakPolarHBondContact CB-O 3.48Å; N128-L314 PolarHBondContact ND2-O 3.39Å; N128-L314 PolarHBondContact O-N 2.85Å; N128-F461 HydrophobicContact CB-CE1 4.15Å; N128-F461 HydrophobicContact CB-CZ 3.93Å; N128-L464 HydrophobicContact CB-CD1 3.82Å; N128-H793 PolarHBondContact ND2-O 3.28Å; N128-I794 WeakPolarHBondContact OD1-CA 3.26Å; N128-R795 HydrophobicContact CB-CB 4.5Å; N128-R795 PolarHBondContact N-O 2.83Å; N128-R795 VanDerWaalsContact N-O 3.15Å; N128-R795 PolarHBondContact OD1-N 3.2Å; N128-R795 PolarHBondContact OD1-O 3.43Å
129	C	97.9	Very high	96.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	143.1	175.5	-59.4	0	0	0	0	109.5	S127 R311 V312 P489 V490 I794	S127-C129 PolarHBondContact O-N 2.8Å; S127-C129 PolarHBondContact OG-N 3.36Å; C129-R311 HydrophobicContact CB-CB 4.26Å; C129-V312 CarbonylContact C-O 3.51Å; C129-V312 WeakPolarHBondContact CA-O 3.42Å; C129-P489 CarbonylContact O-C 3.55Å; C129-P489 VanDerWaalsContact O-CA 3.31Å; C129-P489 WeakPolarHBondContact O-CA 3.22Å; C129-V490 WeakPolarHBondContact O-CG2 3.32Å; C129-V490 PolarHBondContact O-N 3.29Å; C129-I794 VanDerWaalsContact SG-CD1 3.57Å
130	W	97.3	Very high	96.8	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	138.5	173.2	-72.8	-105.9	0	0	0	109	N128 L132 R311 V312 L314 L464 V485 R488 P489	N128-W130 HydrophobicContact CB-CZ3 4.21Å; N128-W130 VanDerWaalsContact O-CZ3 3.3Å; N128-W130 WeakPolarHBondContact O-CZ3 3.48Å; W130-L132 PolarHBondContact O-N 3.32Å; W130-R311 CarbonylContact O-C 3.45Å; W130-R311 WeakPolarHBondContact O-CA 3.19Å; W130-R311 WeakPolarHBondContact O-CB 3.36Å; W130-V312 HydrophobicContact CB-CG1 3.91Å; W130-V312 PolarHBondContact N-O 3.03Å; W130-V312 PolarHBondContact O-N 2.94Å; W130-L314 HydrophobicContact CD2-CD1 4.03Å; W130-L314 HydrophobicContact CE3-CB 4.12Å; W130-L314 HydrophobicContact CE3-CD1 3.62Å; W130-L314 HydrophobicContact CE3-CG 3.71Å; W130-L314 HydrophobicContact CH2-CB 4.48Å; W130-L314 HydrophobicContact CH2-CD1 4.27Å; W130-L314 HydrophobicContact CZ3-CB 3.7Å; W130-L314 HydrophobicContact CZ3-CD1 3.77Å; W130-L314 HydrophobicContact CZ3-CG 3.82Å; W130-L464 HydrophobicContact CH2-CB 3.7Å; W130-L464 HydrophobicContact CH2-CD1 4.37Å; W130-L464 HydrophobicContact CZ2-CB 4.42Å; W130-V485 HydrophobicContact CB-CG1 3.57Å; W130-V485 HydrophobicContact CG-CG1 3.98Å; W130-R488 VanDerWaalsContact NE1-C 3.31Å; W130-P489 HydrophobicContact CD2-CB 4.11Å; W130-P489 HydrophobicContact CE3-CB 4.47Å; W130-P489 HydrophobicContact CH2-CB 3.98Å; W130-P489 HydrophobicContact CZ2-CB 3.63Å; W130-P489 HydrophobicContact CZ2-CG 3.92Å; W130-P489 HydrophobicContact CZ3-CB 4.4Å; W130-P489 VanDerWaalsContact NE1-N 3.15Å
131	D	96.6	Very high	96.8	Very high	27 Å²	27	40.8 Å²	40.8	14%	0.144	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	131.9	172.6	-76.4	-3.5	0	0	0	109.2	K309 R311 Q486 V490	D131-K309 VanDerWaalsContact OD2-CD 3.23Å; D131-K309 WeakPolarHBondContact OD2-CD 3.11Å; D131-K309 IonicContact OD2-NZ 2.74Å; D131-K309 PolarHBondContact OD2-NZ 3.47Å; D131-R311 WeakPolarHBondContact OD1-CD 3.34Å; D131-R311 IonicContact OD1-CZ 3.84Å; D131-R311 IonicContact OD1-NE 2.97Å; D131-R311 PolarHBondContact OD1-NE 3.45Å; D131-R311 IonicContact OD1-NH2 3.04Å; D131-Q486 HydrophobicContact CB-CB 4.27Å; D131-Q486 PolarHBondContact O-N 3.06Å; D131-V490 WeakPolarHBondContact OD1-CG2 3.46Å
132	L	96.3	Very high	96.8	Very high	12 Å²	12	34.8 Å²	34.8	6%	0.063	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	123.5	-177.7	175.3	68.6	0	0	0	109.2	W130 F134 L260 V304 V310 A484 V485	W130-L132 PolarHBondContact O-N 3.32Å; L132-F134 HydrophobicContact CD2-CD1 4.41Å; L132-F134 HydrophobicContact CG-CD1 4.23Å; L132-L260 HydrophobicContact CD2-CD1 4.44Å; L132-V304 HydrophobicContact CD2-CG1 4.21Å; L132-V304 HydrophobicContact CD2-CG2 3.82Å; L132-V310 HydrophobicContact CD2-CG1 4.32Å; L132-V310 PolarHBondContact N-O 3.1Å; L132-A484 WeakPolarHBondContact CA-O 3.34Å; L132-V485 HydrophobicContact CD1-CG2 3.61Å
133	A	95.7	Very high	96.7	Very high	55 Å²	55	31.1 Å²	31.1	46%	0.455	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	148.9	169.8	0	0	0	0	0	110.6	L483 A484	A133-L483 WeakPolarHBondContact O-CA 3.41Å; A133-A484 HydrophobicContact CB-CB 4.34Å; A133-A484 PolarHBondContact N-O 3.26Å; A133-A484 PolarHBondContact O-N 2.89Å
134	F	96	Very high	96.5	Very high	19 Å²	19	29.9 Å²	29.9	8%	0.083	17%	0.167	C	C	.	.			trans	-158.6	158.6	178.1	55	-87.5	0	0	0	109.3	L132 T235 I238 L260 V310 F481 G482 L483	L132-F134 HydrophobicContact CD2-CD1 4.41Å; L132-F134 HydrophobicContact CG-CD1 4.23Å; F134-T235 VanDerWaalsContact CE2-O 3.31Å; F134-T235 WeakPolarHBondContact CE2-O 3.43Å; F134-I238 HydrophobicContact CZ-CB 4.06Å; F134-I238 HydrophobicContact CZ-CD1 4.45Å; F134-I238 HydrophobicContact CZ-CG2 4.1Å; F134-L260 HydrophobicContact CD1-CD1 3.92Å; F134-L260 HydrophobicContact CD2-CD1 4.49Å; F134-L260 HydrophobicContact CE1-CD1 3.88Å; F134-L260 HydrophobicContact CE2-CD1 4.44Å; F134-L260 HydrophobicContact CG-CD1 4.25Å; F134-L260 HydrophobicContact CG-CD2 4.43Å; F134-L260 HydrophobicContact CZ-CD1 4.14Å; F134-V310 HydrophobicContact CE1-CB 3.94Å; F134-V310 HydrophobicContact CE1-CG1 3.76Å; F134-V310 HydrophobicContact CE1-CG2 3.84Å; F134-V310 HydrophobicContact CZ-CG1 4.48Å; F134-V310 HydrophobicContact CZ-CG2 4.06Å; F134-F481 CarbonylContact C-O 3.51Å; F134-F481 WeakPolarHBondContact CA-O 3.31Å; F134-G482 WeakPolarHBondContact CA-O 3.38Å; F134-L483 HydrophobicContact CB-CD2 3.86Å
135	L	96.4	Very high	96.3	Very high	89 Å²	89	32 Å²	32	47%	0.466	17%	0.173	S	C	.	.			trans	-81.5	142.6	175.1	-66	171.1	0	0	0	110.8	K137 T235 F481	L135-K137 PolarHBondContact O-N 3.17Å; L135-T235 PolarHBondContact O-OG1 2.79Å; L135-F481 PolarHBondContact N-O 3.16Å
136	P	95.5	Very high	96.1	Very high	87 Å²	87	32.6 Å²	32.6	57%	0.565	18%	0.177	S	C	*	.			trans	-64.9	119.5	170.7	27.9	-32.7	0	0	0	109.2	T235 A236	P136-T235 WeakPolarHBondContact CA-OG1 3.19Å; P136-A236 HydrophobicContact CB-CB 3.82Å
137	K	94.8	Very high	95.9	Very high	43 Å²	43	33.6 Å²	33.6	19%	0.187	19%	0.185	C	C	.	.			trans	-142.6	141.1	179.6	-73.9	-155.8	164	-152.2	0	110.7	L135 E195 S234 T235 Q480 F481	L135-K137 PolarHBondContact O-N 3.17Å; K137-E195 VanDerWaalsContact NZ-CD 3.3Å; K137-E195 IonicContact NZ-OE1 3.48Å; K137-E195 PolarHBondContact NZ-OE1 2.82Å; K137-E195 IonicContact NZ-OE2 2.74Å; K137-E195 PolarHBondContact NZ-OE2 2.75Å; K137-E195 VanDerWaalsContact NZ-OE2 3.15Å; K137-S234 CarbonylContact O-C 3.57Å; K137-S234 WeakPolarHBondContact O-CA 3.22Å; K137-S234 PolarHBondContact O-OG 2.93Å; K137-T235 PolarHBondContact N-OG1 2.99Å; K137-T235 PolarHBondContact O-N 3.07Å; K137-T235 PolarHBondContact O-OG1 3.04Å; K137-Q480 WeakPolarHBondContact CD-O 3.14Å; K137-Q480 WeakPolarHBondContact CE-O 3.4Å; K137-Q480 PolarHBondContact NZ-O 3.31Å; K137-F481 HydrophobicContact CB-CD1 4.32Å; K137-F481 HydrophobicContact CB-CE1 4.16Å; K137-F481 HydrophobicContact CD-CD1 4.27Å; K137-F481 HydrophobicContact CD-CE1 4.38Å
138	T	96.5	Very high	95.7	Very high	76 Å²	76	34 Å²	34	47%	0.466	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	128.1	172.5	-60	0	0	0	0	109	K232 V233 S234	T138-K232 HydrophobicContact CG2-CB 3.9Å; T138-K232 HydrophobicContact CG2-CD 4.43Å; T138-K232 HydrophobicContact CG2-CG 4.49Å; T138-V233 CarbonylContact C-O 3.54Å; T138-V233 WeakPolarHBondContact CA-O 3.41Å; T138-S234 PolarHBondContact OG1-OG 3.16Å; T138-S234 VanDerWaalsContact OG1-OG 3.08Å
139	V	96	Very high	95.4	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	158.5	179.8	-59	0	0	0	0	110.2	Y193 S194 K232 V233 L259 F481	V139-Y193 HydrophobicContact CG2-CD1 4.03Å; V139-S194 CarbonylContact C-O 3.57Å; V139-S194 WeakPolarHBondContact CA-O 3.5Å; V139-S194 WeakPolarHBondContact CB-O 3.38Å; V139-K232 CarbonylContact O-C 3.3Å; V139-K232 VanDerWaalsContact O-CA 3.31Å; V139-K232 WeakPolarHBondContact O-CA 3.49Å; V139-V233 HydrophobicContact CG2-CB 4.19Å; V139-V233 PolarHBondContact N-O 2.7Å; V139-V233 PolarHBondContact O-N 2.76Å; V139-L259 HydrophobicContact CG2-CD1 4.08Å; V139-L259 HydrophobicContact CG2-CD2 3.46Å; V139-L259 VanDerWaalsContact CG2-CD2 3.46Å; V139-L259 HydrophobicContact CG2-CG 4.41Å; V139-F481 HydrophobicContact CG1-CE1 4Å; V139-F481 HydrophobicContact CG1-CZ 3.8Å
140	Y	96.3	Very high	95.2	Very high	46 Å²	46	36.8 Å²	36.8	18%	0.18	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	127.7	172.5	-62.6	-98.2	0	0	0	109.3	Y142 Y193 S194 P197 E229 K232	Y140-Y142 WeakPolarHBondContact CB-OH 3.47Å; Y140-Y142 HydrophobicContact CG-CE2 4.46Å; Y140-Y193 VanDerWaalsContact O-CA 3.29Å; Y140-Y193 WeakPolarHBondContact O-CA 3.4Å; Y140-S194 PolarHBondContact N-O 3.13Å; Y140-S194 PolarHBondContact O-N 2.87Å; Y140-P197 HydrophobicContact CE1-CG 4.15Å; Y140-P197 HydrophobicContact CE2-CG 3.87Å; Y140-E229 WeakPolarHBondContact CD1-OE1 3.44Å; Y140-K232 HydrophobicContact CD1-CG 4.24Å; Y140-K232 HydrophobicContact CE1-CD 4.32Å; Y140-K232 HydrophobicContact CE1-CG 4.28Å; Y140-K232 PolarHBondContact OH-NZ 3.06Å
141	L	96.7	Very high	94.8	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	125.1	170.8	168.7	61.1	0	0	0	109.4	F143 Y193 V230 Q231 V233	L141-F143 HydrophobicContact CD1-CD1 4.22Å; L141-F143 HydrophobicContact CD1-CE1 4.04Å; L141-F143 HydrophobicContact CD2-CE1 4.12Å; L141-F143 HydrophobicContact CG-CE1 4.25Å; L141-Y193 HydrophobicContact CB-CD1 4.12Å; L141-Y193 HydrophobicContact CB-CE1 4.18Å; L141-Y193 HydrophobicContact CD1-CD1 3.94Å; L141-Y193 HydrophobicContact CD1-CE1 3.61Å; L141-Y193 HydrophobicContact CD1-CE2 4.4Å; L141-Y193 HydrophobicContact CD2-CE1 4.43Å; L141-Y193 HydrophobicContact CG-CE1 4.27Å; L141-V230 HydrophobicContact CD2-CB 4.39Å; L141-V230 HydrophobicContact CD2-CG1 4.49Å; L141-V230 HydrophobicContact CG-CB 4.21Å; L141-V230 PolarHBondContact O-N 2.58Å; L141-Q231 HydrophobicContact CB-CG 4.35Å; L141-Q231 WeakPolarHBondContact CB-O 3.47Å; L141-Q231 HydrophobicContact CD2-CG 4.06Å; L141-Q231 PolarHBondContact N-O 2.82Å; L141-V233 HydrophobicContact CB-CG2 4.04Å; L141-V233 HydrophobicContact CD2-CG2 4.38Å
142	Y	96.2	Very high	94.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	149	173.5	-56.5	-90.1	0	0	0	110.8	Y140 S191 V192 P197 L198 I201 M228 E229	Y140-Y142 WeakPolarHBondContact CB-OH 3.47Å; Y140-Y142 HydrophobicContact CG-CE2 4.46Å; Y142-S191 WeakPolarHBondContact O-CA 3.3Å; Y142-V192 PolarHBondContact N-O 3.2Å; Y142-V192 PolarHBondContact O-N 3.44Å; Y142-P197 WeakPolarHBondContact OH-CA 3.5Å; Y142-L198 HydrophobicContact CD1-CD1 4.14Å; Y142-L198 HydrophobicContact CD2-CD1 3.75Å; Y142-L198 HydrophobicContact CD2-CG 4.24Å; Y142-L198 HydrophobicContact CE1-CB 4.16Å; Y142-L198 HydrophobicContact CE1-CD1 4.19Å; Y142-L198 HydrophobicContact CE1-CG 4.31Å; Y142-L198 HydrophobicContact CE2-CB 4.4Å; Y142-L198 HydrophobicContact CE2-CD1 3.81Å; Y142-L198 HydrophobicContact CE2-CG 3.77Å; Y142-L198 HydrophobicContact CG-CD1 3.92Å; Y142-L198 PolarHBondContact OH-N 3.34Å; Y142-I201 HydrophobicContact CD1-CB 4.44Å; Y142-I201 HydrophobicContact CD1-CG2 3.6Å; Y142-I201 HydrophobicContact CE1-CB 4.06Å; Y142-I201 HydrophobicContact CE1-CG2 3.61Å; Y142-M228 CarbonylContact C-O 3.54Å; Y142-M228 WeakPolarHBondContact CA-O 3.31Å; Y142-M228 WeakPolarHBondContact CB-O 3.46Å; Y142-E229 HydrophobicContact CD1-CB 3.96Å; Y142-E229 HydrophobicContact CE1-CB 3.79Å; Y142-E229 HydrophobicContact CE1-CG 4.15Å
143	F	95.2	Very high	93.6	Very high	88 Å²	88	41.9 Å²	41.9	39%	0.386	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	129.9	168.6	-80.1	2.1	0	0	0	110.9	L141 H190 S191 V227 M228 V230	L141-F143 HydrophobicContact CD1-CD1 4.22Å; L141-F143 HydrophobicContact CD1-CE1 4.04Å; L141-F143 HydrophobicContact CD2-CE1 4.12Å; L141-F143 HydrophobicContact CG-CE1 4.25Å; F143-H190 CarbonylContact C-O 3.57Å; F143-H190 VanDerWaalsContact CA-O 3.31Å; F143-H190 WeakPolarHBondContact CA-O 3.46Å; F143-S191 VanDerWaalsContact CE1-OG 3.31Å; F143-S191 WeakPolarHBondContact CE1-OG 3.39Å; F143-V227 WeakPolarHBondContact O-CA 3.38Å; F143-M228 HydrophobicContact CB-CG 4.33Å; F143-M228 PolarHBondContact N-O 3.06Å; F143-M228 PolarHBondContact O-N 2.99Å; F143-V230 HydrophobicContact CB-CG2 3.92Å; F143-V230 HydrophobicContact CD1-CG2 3.77Å; F143-V230 HydrophobicContact CD2-CG2 3.77Å; F143-V230 HydrophobicContact CE1-CG2 4.17Å; F143-V230 HydrophobicContact CE2-CG2 4.19Å; F143-V230 HydrophobicContact CG-CG2 3.54Å; F143-V230 HydrophobicContact CZ-CG2 4.37Å
144	L	94.3	Very high	92.4	Very high	1 Å²	1	44 Å²	44	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	133.9	174.8	-77.1	69.8	0	0	0	110.9	I173 V176 F180 H190 V192 Y225 R226 V227	L144-I173 HydrophobicContact CB-CD1 4.12Å; L144-I173 HydrophobicContact CB-CG2 4.3Å; L144-I173 HydrophobicContact CD2-CG2 4.14Å; L144-V176 HydrophobicContact CD2-CB 4.45Å; L144-V176 HydrophobicContact CD2-CG1 3.93Å; L144-F180 HydrophobicContact CD2-CE2 4Å; L144-F180 HydrophobicContact CD2-CZ 4.33Å; L144-H190 PolarHBondContact N-O 3.29Å; L144-H190 WeakPolarHBondContact O-CB 3.33Å; L144-H190 PolarHBondContact O-ND1 3.42Å; L144-V192 HydrophobicContact CD1-CB 3.74Å; L144-V192 HydrophobicContact CD1-CG2 3.55Å; L144-V192 HydrophobicContact CD2-CG2 4.15Å; L144-V192 HydrophobicContact CG-CG2 4.4Å; L144-Y225 HydrophobicContact CD2-CD2 4.49Å; L144-R226 CarbonylContact C-O 3.15Å; L144-R226 VanDerWaalsContact CA-O 3.3Å; L144-R226 WeakPolarHBondContact CA-O 3.46Å; L144-V227 HydrophobicContact CD1-CB 4.47Å; L144-V227 HydrophobicContact CD1-CG2 3.84Å; L144-V227 HydrophobicContact CG-CB 4.25Å; L144-V227 HydrophobicContact CG-CG2 4.14Å
145	E	93.4	Very high	91.3	Very high	116 Å²	116	49.1 Å²	49.1	54%	0.542	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	129	174.8	-174.9	175.2	-164.5	0	0	110.5	S147 Y225 R226	E145-S147 PolarHBondContact O-N 3.32Å; E145-Y225 CarbonylContact O-C 3.6Å; E145-Y225 WeakPolarHBondContact O-CA 3.18Å; E145-Y225 WeakPolarHBondContact O-CB 3.43Å; E145-R226 PolarHBondContact N-O 3.21Å; E145-R226 PolarHBondContact O-N 3.07Å
146	A	92.7	Very high	89.8	Confident	14 Å²	14	52.5 Å²	52.5	12%	0.116	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	112.3	176.8	0	0	0	0	0	110	K169 I173 L223	A146-K169 HydrophobicContact CB-CD 4.01Å; A146-K169 HydrophobicContact CB-CG 3.7Å; A146-K169 WeakPolarHBondContact O-CD 3.35Å; A146-I173 HydrophobicContact CB-CD1 3.87Å; A146-I173 HydrophobicContact CB-CG1 4.06Å; A146-L223 HydrophobicContact CB-CD1 3.98Å
147	S	93.4	Very high	88.7	Confident	31 Å²	31	52 Å²	52	22%	0.217	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-61.8	-178	-58.1	0	0	0	0	111.4	E145 K169 E207 T224	E145-S147 PolarHBondContact O-N 3.32Å; S147-K169 PolarHBondContact O-NZ 3.35Å; S147-E207 WeakPolarHBondContact CB-OE1 3.05Å; S147-E207 PolarHBondContact OG-OE1 3.19Å; S147-T224 WeakPolarHBondContact CA-O 3.29Å; S147-T224 WeakPolarHBondContact CB-O 3.43Å; S147-T224 PolarHBondContact N-O 3.26Å
148	A	94	Very high	88	Confident	8 Å²	8	52.9 Å²	52.9	7%	0.066	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	158.6	-172.3	0	0	0	0	0	111.3	Y150 E161 T224	A148-Y150 HydrophobicContact CB-CD2 4.47Å; A148-Y150 HydrophobicContact CB-CE2 3.61Å; A148-E161 HydrophobicContact CB-CG 4.46Å; A148-T224 PolarHBondContact N-O 3.18Å; A148-T224 VanDerWaalsContact N-O 3.15Å; A148-T224 PolarHBondContact O-N 3.11Å
149	V	92.9	Very high	87.5	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	132	174.1	179.1	0	0	0	0	107.8	E161 I162 M164 K169 L172 I212 L222 L223	V149-E161 CarbonylContact O-C 3.54Å; V149-E161 WeakPolarHBondContact O-CA 3.44Å; V149-I162 HydrophobicContact CG1-CD1 4.33Å; V149-I162 PolarHBondContact O-N 2.91Å; V149-M164 HydrophobicContact CB-CE 3.55Å; V149-M164 HydrophobicContact CB-SD 4.18Å; V149-M164 HydrophobicContact CG1-CE 3.73Å; V149-M164 HydrophobicContact CG2-CE 3.55Å; V149-M164 HydrophobicContact CG2-SD 3.6Å; V149-M164 VanDerWaalsContact CG2-SD 3.6Å; V149-K169 HydrophobicContact CG2-CG 4.28Å; V149-L172 HydrophobicContact CG2-CD1 3.68Å; V149-I212 HydrophobicContact CG1-CD1 4.36Å; V149-L222 CarbonylContact C-O 3.48Å; V149-L222 WeakPolarHBondContact CA-O 3.49Å; V149-L223 HydrophobicContact CG2-CD1 3.72Å
150	Y	93	Very high	87.2	Confident	59 Å²	59	57 Å²	57	23%	0.231	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	141.2	-179.6	-59.1	-87.9	0	0	0	110	A148 K159 T160 E161 L221 L222 T224	A148-Y150 HydrophobicContact CB-CD2 4.47Å; A148-Y150 HydrophobicContact CB-CE2 3.61Å; Y150-K159 HydrophobicContact CD1-CB 4.11Å; Y150-K159 HydrophobicContact CG-CB 4.35Å; Y150-T160 CarbonylContact C-O 3.54Å; Y150-T160 WeakPolarHBondContact CA-O 3.47Å; Y150-E161 HydrophobicContact CD1-CB 3.9Å; Y150-E161 HydrophobicContact CD1-CG 4.33Å; Y150-E161 HydrophobicContact CE1-CB 3.74Å; Y150-E161 HydrophobicContact CE1-CG 4.01Å; Y150-L221 CarbonylContact O-C 3.59Å; Y150-L221 WeakPolarHBondContact O-CA 3.47Å; Y150-L222 PolarHBondContact N-O 2.95Å; Y150-L222 PolarHBondContact O-N 3.4Å; Y150-T224 VanDerWaalsContact CE2-OG1 3.32Å; Y150-T224 WeakPolarHBondContact CE2-OG1 3.35Å
151	R	89.2	Confident	86.9	Confident	93 Å²	93	59.6 Å²	59.6	35%	0.351	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	128	160.7	178.9	173.5	58.4	163.1	5	108.3	K159 T160 I162 D219 L221	R151-K159 WeakPolarHBondContact O-CA 3.39Å; R151-T160 PolarHBondContact N-O 3.42Å; R151-T160 PolarHBondContact O-N 3.37Å; R151-I162 HydrophobicContact CB-CD1 4.07Å; R151-I162 HydrophobicContact CB-CG1 4.2Å; R151-D219 VanDerWaalsContact CD-OD1 3.25Å; R151-D219 WeakPolarHBondContact CD-OD1 3.29Å; R151-D219 HydrophobicContact CG-CB 4.06Å; R151-L221 HydrophobicContact CB-CD2 4.34Å
152	V	86.7	Confident	86.5	Confident	19 Å²	19	62 Å²	62	12%	0.115	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	123.9	174.5	-171.5	0	0	0	0	108	R220 L222	V152-R220 HydrophobicContact CB-CB 4.45Å; V152-R220 HydrophobicContact CB-CG 4.32Å; V152-R220 HydrophobicContact CG2-CG 4.47Å; V152-R220 PolarHBondContact N-O 3.49Å; V152-L222 HydrophobicContact CG2-CB 3.99Å
153	G	79.8	Confident	86	Confident	33 Å²	33	73.3 Å²	73.3	34%	0.34	40%	0.395	S	S	.	.			trans	-74.4	-179	174.7	0	0	0	0	0	112.7	D155 S158	G153-D155 VanDerWaalsContact C-N 3.29Å; G153-D155 PolarHBondContact O-N 3.33Å; G153-S158 PolarHBondContact N-O 2.89Å
154	A	71.1	Confident	85.5	Confident	99 Å²	99	71.1 Å²	71.1	82%	0.818	39%	0.387	S	S	*	.	S	Bend	trans	-61.8	-37.8	176.2	0	0	0	0	0	112.2
155	D	72.8	Confident	85.1	Confident	127 Å²	127	74.2 Å²	74.2	68%	0.679	41%	0.407	S	S	*	.	S	Bend	trans	-82.9	122.1	169.6	-55.8	-35.5	0	0	0	109	G153 G157 S158	G153-D155 VanDerWaalsContact C-N 3.29Å; G153-D155 PolarHBondContact O-N 3.33Å; D155-G157 PolarHBondContact O-N 3.01Å; D155-S158 PolarHBondContact O-N 2.81Å
156	E	66	Low	84.7	Confident	160 Å²	160	74 Å²	74	75%	0.748	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-21.2	-175.7	-69.8	-168.8	146.2	0	0	114.4
157	G	71	Confident	84.2	Confident	76 Å²	76	81.1 Å²	81.1	78%	0.784	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-17.3	176.7	0	0	0	0	0	115.9	D155 K159	D155-G157 PolarHBondContact O-N 3.01Å; G157-K159 PolarHBondContact O-N 3.37Å
158	S	81.2	Confident	83.8	Confident	63 Å²	63	83.1 Å²	83.1	44%	0.441	45%	0.45	S	S	.	.			trans	-88.8	98	-176.3	-172.1	0	0	0	0	111.3	G153 D155	G153-S158 PolarHBondContact N-O 2.89Å; D155-S158 PolarHBondContact O-N 2.81Å
159	K	85.8	Confident	83.5	Confident	93 Å²	93	84.5 Å²	84.5	40%	0.404	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	122.3	175.2	-66.3	-177	-174.8	179.6	0	110.6	Y150 R151 G157 E209 L222	Y150-K159 HydrophobicContact CD1-CB 4.11Å; Y150-K159 HydrophobicContact CG-CB 4.35Å; R151-K159 WeakPolarHBondContact O-CA 3.39Å; G157-K159 PolarHBondContact O-N 3.37Å; K159-E209 IonicContact NZ-OE1 3.43Å; K159-E209 IonicContact NZ-OE2 3.83Å; K159-E209 PolarHBondContact NZ-OE2 3.4Å; K159-L222 HydrophobicContact CD-CD2 4.02Å
160	T	88.7	Confident	83.3	Confident	69 Å²	69	88.8 Å²	88.8	42%	0.423	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	121.2	171.5	-51.9	0	0	0	0	110.3	Y150 R151 I162	Y150-T160 CarbonylContact C-O 3.54Å; Y150-T160 WeakPolarHBondContact CA-O 3.47Å; R151-T160 PolarHBondContact N-O 3.42Å; R151-T160 PolarHBondContact O-N 3.37Å; T160-I162 PolarHBondContact O-N 2.9Å
161	E	91.9	Very high	83	Confident	101 Å²	101	89.1 Å²	89.1	47%	0.472	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	127.9	176.5	-165.7	-169.9	162.3	0	0	111.6	A148 V149 Y150	A148-E161 HydrophobicContact CB-CG 4.46Å; V149-E161 CarbonylContact O-C 3.54Å; V149-E161 WeakPolarHBondContact O-CA 3.44Å; Y150-E161 HydrophobicContact CD1-CB 3.9Å; Y150-E161 HydrophobicContact CD1-CG 4.33Å; Y150-E161 HydrophobicContact CE1-CB 3.74Å; Y150-E161 HydrophobicContact CE1-CG 4.01Å
162	I	87.6	Confident	83	Confident	51 Å²	51	85.6 Å²	85.6	26%	0.262	47%	0.473	S	S	.	.			trans	-90.5	112.2	173.5	-55.9	-178.9	0	0	0	109.1	V149 R151 T160 M164 L221	V149-I162 HydrophobicContact CG1-CD1 4.33Å; V149-I162 PolarHBondContact O-N 2.91Å; R151-I162 HydrophobicContact CB-CD1 4.07Å; R151-I162 HydrophobicContact CB-CG1 4.2Å; T160-I162 PolarHBondContact O-N 2.9Å; I162-M164 HydrophobicContact CB-CE 4.35Å; I162-M164 HydrophobicContact CG2-CE 4.02Å; I162-M164 PolarHBondContact O-N 2.57Å; I162-L221 HydrophobicContact CD1-CD2 3.38Å
163	R	86	Confident	83.2	Confident	238 Å²	238	84.7 Å²	84.7	90%	0.898	47%	0.468	S	S	*	.			trans	-70.8	119.1	170.2	-69.7	-173.7	175.7	-178.2	0	110.3
164	M	85.2	Confident	83.7	Confident	42 Å²	42	86 Å²	86	21%	0.207	47%	0.465	C	S	.	.			trans	-136.8	152.4	178.2	57.3	175.9	63.1	0	0	112.1	V149 I162 K169 L172	V149-M164 HydrophobicContact CB-CE 3.55Å; V149-M164 HydrophobicContact CB-SD 4.18Å; V149-M164 HydrophobicContact CG1-CE 3.73Å; V149-M164 HydrophobicContact CG2-CE 3.55Å; V149-M164 HydrophobicContact CG2-SD 3.6Å; V149-M164 VanDerWaalsContact CG2-SD 3.6Å; I162-M164 HydrophobicContact CB-CE 4.35Å; I162-M164 HydrophobicContact CG2-CE 4.02Å; I162-M164 PolarHBondContact O-N 2.57Å; M164-K169 HydrophobicContact CG-CB 3.84Å; M164-K169 HydrophobicContact CG-CG 4.13Å; M164-K169 WeakPolarHBondContact SD-CA 3.37Å; M164-K169 HydrophobicContact SD-CB 3.6Å; M164-K169 VanDerWaalsContact SD-CB 3.6Å; M164-K169 HydrophobicContact SD-CG 3.71Å; M164-L172 HydrophobicContact CE-CD1 3.97Å; M164-L172 HydrophobicContact SD-CD1 3.74Å
165	P	84	Confident	84.7	Confident	67 Å²	67	83.5 Å²	83.5	44%	0.435	44%	0.436	S	S	.	.			trans	-60.4	145	175.6	-23.1	34.1	0	0	0	112.1	K167 E168 K169	P165-K167 PolarHBondContact O-N 2.96Å; P165-E168 HydrophobicContact CB-CG 4.47Å; P165-E168 HydrophobicContact CG-CG 4.5Å; P165-E168 PolarHBondContact O-N 3.11Å; P165-K169 PolarHBondContact O-N 2.99Å
166	P	85.1	Confident	85.6	Confident	110 Å²	110	77.4 Å²	77.4	71%	0.714	40%	0.404	S	S	*	.	H	α-helix	trans	-54.8	-33.2	-177.3	-28.9	34.7	0	0	0	115	R170	P166-R170 WeakPolarHBondContact O-CB 3.44Å; P166-R170 PolarHBondContact O-N 3.49Å
167	K	83	Confident	86.7	Confident	164 Å²	164	70.4 Å²	70.4	71%	0.713	37%	0.372	S	S	*	.	H	α-helix	trans	-68.7	-39.1	178.3	-173.7	-176	175.2	-169	0	112.4	P165 A171	P165-K167 PolarHBondContact O-N 2.96Å; K167-A171 PolarHBondContact O-N 3.04Å
168	E	84.3	Confident	87.6	Confident	74 Å²	74	72 Å²	72	35%	0.346	36%	0.363	S	S	.	.	H	α-helix	trans	-72.7	-42.6	177.9	-64.1	-174.1	-143.7	0	0	109.8	P165 R170 A171 R354	P165-E168 HydrophobicContact CB-CG 4.47Å; P165-E168 HydrophobicContact CG-CG 4.5Å; P165-E168 PolarHBondContact O-N 3.11Å; E168-R170 PolarHBondContact O-N 3.37Å; E168-A171 WeakPolarHBondContact O-CB 3.45Å; E168-A171 PolarHBondContact O-N 3.34Å; E168-A171 VanDerWaalsContact O-N 3.1Å; E168-R354 VanDerWaalsContact CD-NH2 3.31Å; E168-R354 IonicContact OE1-CZ 2.86Å; E168-R354 IonicContact OE1-NH1 3.77Å; E168-R354 PolarHBondContact OE1-NH1 2.86Å; E168-R354 IonicContact OE1-NH2 3.32Å; E168-R354 PolarHBondContact OE1-NH2 2.9Å; E168-R354 IonicContact OE2-CZ 2.64Å; E168-R354 IonicContact OE2-NH1 3.26Å; E168-R354 PolarHBondContact OE2-NH1 3.26Å; E168-R354 IonicContact OE2-NH2 2.74Å; E168-R354 PolarHBondContact OE2-NH2 3.11Å
169	K	89.2	Confident	88	Confident	36 Å²	36	72.1 Å²	72.1	16%	0.157	36%	0.363	C	S	.	.	H	α-helix	trans	-55.1	-49.8	172.9	-161.4	-174.6	-73.1	-173.2	0	112.2	A146 S147 V149 M164 P165 A171 L172	A146-K169 HydrophobicContact CB-CD 4.01Å; A146-K169 HydrophobicContact CB-CG 3.7Å; A146-K169 WeakPolarHBondContact O-CD 3.35Å; S147-K169 PolarHBondContact O-NZ 3.35Å; V149-K169 HydrophobicContact CG2-CG 4.28Å; M164-K169 HydrophobicContact CG-CB 3.84Å; M164-K169 HydrophobicContact CG-CG 4.13Å; M164-K169 WeakPolarHBondContact SD-CA 3.37Å; M164-K169 HydrophobicContact SD-CB 3.6Å; M164-K169 VanDerWaalsContact SD-CB 3.6Å; M164-K169 HydrophobicContact SD-CG 3.71Å; P165-K169 PolarHBondContact O-N 2.99Å; K169-A171 VanDerWaalsContact C-N 3.27Å; K169-A171 PolarHBondContact O-N 2.95Å; K169-L172 WeakPolarHBondContact O-CB 3.26Å; K169-L172 PolarHBondContact O-N 2.97Å; K169-L172 VanDerWaalsContact O-N 3.11Å
170	R	88	Confident	88.1	Confident	90 Å²	90	69.4 Å²	69.4	34%	0.34	35%	0.352	S	S	.	.	H	α-helix	trans	-63.4	-31.4	177.9	-175.1	177.9	60.3	-161.8	-4.5	113	P166 E168 L172 I173	P166-R170 WeakPolarHBondContact O-CB 3.44Å; P166-R170 PolarHBondContact O-N 3.49Å; E168-R170 PolarHBondContact O-N 3.37Å; R170-L172 PolarHBondContact O-N 3.47Å; R170-I173 VanDerWaalsContact O-CB 3.29Å; R170-I173 WeakPolarHBondContact O-CB 3.45Å; R170-I173 WeakPolarHBondContact O-CG1 3.44Å; R170-I173 PolarHBondContact O-N 2.85Å; R170-I173 VanDerWaalsContact O-N 3.1Å
171	A	86.3	Confident	87.8	Confident	66 Å²	66	70 Å²	70	55%	0.545	36%	0.357	S	S	.	.	H	α-helix	trans	-63.2	-24.1	177.4	0	0	0	0	0	112.3	K167 E168 K169 I173 Q174	K167-A171 PolarHBondContact O-N 3.04Å; E168-A171 WeakPolarHBondContact O-CB 3.45Å; E168-A171 PolarHBondContact O-N 3.34Å; E168-A171 VanDerWaalsContact O-N 3.1Å; K169-A171 VanDerWaalsContact C-N 3.27Å; K169-A171 PolarHBondContact O-N 2.95Å; A171-I173 VanDerWaalsContact C-N 3.28Å; A171-I173 PolarHBondContact O-N 3.07Å; A171-Q174 PolarHBondContact O-N 3.02Å
172	L	90	Very high	87.1	Confident	19 Å²	19	73.2 Å²	73.2	10%	0.099	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-17.2	176.6	-57.1	170.9	0	0	0	113.3	V149 M164 K169 R170 Q174 Q175 I212 P215 L223	V149-L172 HydrophobicContact CG2-CD1 3.68Å; M164-L172 HydrophobicContact CE-CD1 3.97Å; M164-L172 HydrophobicContact SD-CD1 3.74Å; K169-L172 WeakPolarHBondContact O-CB 3.26Å; K169-L172 PolarHBondContact O-N 2.97Å; K169-L172 VanDerWaalsContact O-N 3.11Å; R170-L172 PolarHBondContact O-N 3.47Å; L172-Q174 PolarHBondContact O-N 3.41Å; L172-Q174 VanDerWaalsContact O-N 3.13Å; L172-Q175 WeakPolarHBondContact O-CB 3.01Å; L172-Q175 PolarHBondContact O-N 3.44Å; L172-I212 HydrophobicContact CB-CD1 4.34Å; L172-I212 HydrophobicContact CD1-CD1 3.82Å; L172-I212 HydrophobicContact CD2-CD1 4.11Å; L172-I212 HydrophobicContact CG-CD1 4.31Å; L172-P215 HydrophobicContact CD2-CG 4.38Å; L172-L223 HydrophobicContact CB-CD2 4.05Å
173	I	91.4	Very high	86.8	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-56.5	-28.9	172.8	-66.6	-74.3	0	0	0	111.1	L144 A146 R170 A171 Q175 V176 V177 Y186	L144-I173 HydrophobicContact CB-CD1 4.12Å; L144-I173 HydrophobicContact CB-CG2 4.3Å; L144-I173 HydrophobicContact CD2-CG2 4.14Å; A146-I173 HydrophobicContact CB-CD1 3.87Å; A146-I173 HydrophobicContact CB-CG1 4.06Å; R170-I173 VanDerWaalsContact O-CB 3.29Å; R170-I173 WeakPolarHBondContact O-CB 3.45Å; R170-I173 WeakPolarHBondContact O-CG1 3.44Å; R170-I173 PolarHBondContact O-N 2.85Å; R170-I173 VanDerWaalsContact O-N 3.1Å; A171-I173 VanDerWaalsContact C-N 3.28Å; A171-I173 PolarHBondContact O-N 3.07Å; I173-Q175 PolarHBondContact O-N 3.03Å; I173-V176 WeakPolarHBondContact O-CA 3.42Å; I173-V176 WeakPolarHBondContact O-CB 3.22Å; I173-V176 PolarHBondContact O-N 3.33Å; I173-V177 HydrophobicContact CG2-CG2 4.15Å; I173-V177 WeakPolarHBondContact O-CG2 3.28Å; I173-V177 PolarHBondContact O-N 3.26Å; I173-Y186 HydrophobicContact CG2-CE1 4.41Å; I173-Y186 HydrophobicContact CG2-CE2 3.96Å; I173-Y186 WeakPolarHBondContact CG2-OH 3Å
174	Q	88.9	Confident	87	Confident	62 Å²	62	62 Å²	62	29%	0.29	33%	0.333	S	S	.	.	H	α-helix	trans	-55.5	-39.1	175.5	-173.1	60.2	63.9	0	0	111.5	A171 L172 V176 V177 D178 Y186	A171-Q174 PolarHBondContact O-N 3.02Å; L172-Q174 PolarHBondContact O-N 3.41Å; L172-Q174 VanDerWaalsContact O-N 3.13Å; Q174-V176 VanDerWaalsContact C-N 3.33Å; Q174-V176 PolarHBondContact O-N 3.48Å; Q174-V177 WeakPolarHBondContact O-CB 3.23Å; Q174-V177 PolarHBondContact O-N 3.06Å; Q174-D178 PolarHBondContact NE2-OD1 2.9Å; Q174-D178 PolarHBondContact O-N 2.91Å; Q174-D178 VanDerWaalsContact O-OD1 3.1Å; Q174-Y186 VanDerWaalsContact OE1-CD1 3.31Å
175	Q	91.7	Very high	87.3	Confident	45 Å²	45	60 Å²	60	21%	0.21	32%	0.324	C	S	.	.	H	α-helix	trans	-69.2	-30.8	177.8	-58.9	-167.2	49.8	0	0	112.9	L172 I173 D178 S179 I212 K213	L172-Q175 WeakPolarHBondContact O-CB 3.01Å; L172-Q175 PolarHBondContact O-N 3.44Å; I173-Q175 PolarHBondContact O-N 3.03Å; Q175-D178 PolarHBondContact O-N 2.82Å; Q175-S179 PolarHBondContact O-N 2.89Å; Q175-I212 HydrophobicContact CB-CG2 3.97Å; Q175-K213 PolarHBondContact NE2-O 2.66Å; Q175-K213 PolarHBondContact OE1-O 3.39Å
176	V	92.1	Very high	87.5	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64.8	-46.4	171.2	-174.7	0	0	0	0	109.6	L144 I173 Q174 D178 S179 F180 I210 L223 Y225	L144-V176 HydrophobicContact CD2-CB 4.45Å; L144-V176 HydrophobicContact CD2-CG1 3.93Å; I173-V176 WeakPolarHBondContact O-CA 3.42Å; I173-V176 WeakPolarHBondContact O-CB 3.22Å; I173-V176 PolarHBondContact O-N 3.33Å; Q174-V176 VanDerWaalsContact C-N 3.33Å; Q174-V176 PolarHBondContact O-N 3.48Å; V176-D178 VanDerWaalsContact C-N 3.29Å; V176-D178 PolarHBondContact O-N 3.47Å; V176-S179 WeakPolarHBondContact O-CB 3.44Å; V176-S179 PolarHBondContact O-N 2.99Å; V176-S179 VanDerWaalsContact O-N 3.08Å; V176-S179 PolarHBondContact O-OG 3.12Å; V176-F180 HydrophobicContact CG1-CE1 4.34Å; V176-F180 HydrophobicContact CG1-CE2 4.38Å; V176-F180 HydrophobicContact CG1-CZ 3.92Å; V176-I210 HydrophobicContact CG2-CG2 4.05Å; V176-L223 HydrophobicContact CG2-CD2 3.41Å; V176-L223 VanDerWaalsContact CG2-CD2 3.41Å; V176-L223 HydrophobicContact CG2-CG 4.47Å; V176-Y225 HydrophobicContact CG1-CD1 4.18Å; V176-Y225 HydrophobicContact CG1-CD2 4.08Å; V176-Y225 HydrophobicContact CG1-CE1 3.73Å; V176-Y225 HydrophobicContact CG1-CE2 3.61Å; V176-Y225 HydrophobicContact CG1-CG 4.34Å; V176-Y225 VanDerWaalsContact CG1-CZ 3.41Å; V176-Y225 HydrophobicContact CG2-CD1 3.92Å; V176-Y225 HydrophobicContact CG2-CE1 4.11Å; V176-Y225 HydrophobicContact CG2-CG 4.24Å
177	V	90.2	Very high	87.5	Confident	13 Å²	13	53.3 Å²	53.3	8%	0.079	28%	0.278	C	S	.	.	H	α-helix	trans	-62.9	-38.7	178.4	171.7	0	0	0	0	111.2	I173 Q174 S179 F180 I184 Y186 V192	I173-V177 HydrophobicContact CG2-CG2 4.15Å; I173-V177 WeakPolarHBondContact O-CG2 3.28Å; I173-V177 PolarHBondContact O-N 3.26Å; Q174-V177 WeakPolarHBondContact O-CB 3.23Å; Q174-V177 PolarHBondContact O-N 3.06Å; V177-S179 PolarHBondContact O-N 3.49Å; V177-F180 WeakPolarHBondContact O-CB 3.23Å; V177-F180 PolarHBondContact O-N 3.09Å; V177-I184 HydrophobicContact CG1-CG2 3.98Å; V177-Y186 HydrophobicContact CB-CD1 4.19Å; V177-Y186 HydrophobicContact CB-CG 4.35Å; V177-Y186 HydrophobicContact CG1-CD1 4.07Å; V177-Y186 HydrophobicContact CG1-CG 4.04Å; V177-Y186 HydrophobicContact CG2-CD1 3.79Å; V177-Y186 HydrophobicContact CG2-CD2 3.94Å; V177-Y186 HydrophobicContact CG2-CE1 4.15Å; V177-Y186 HydrophobicContact CG2-CE2 4.32Å; V177-Y186 HydrophobicContact CG2-CG 3.68Å; V177-V192 HydrophobicContact CG2-CG2 3.95Å
178	D	88.9	Confident	87.5	Confident	109 Å²	109	47.5 Å²	47.5	58%	0.583	26%	0.264	S	S	*	.	H	α-helix	trans	-65.9	-18	177.1	-59	-20.2	0	0	0	112.4	Q174 Q175 V176	Q174-D178 PolarHBondContact NE2-OD1 2.9Å; Q174-D178 PolarHBondContact O-N 2.91Å; Q174-D178 VanDerWaalsContact O-OD1 3.1Å; Q175-D178 PolarHBondContact O-N 2.82Å; V176-D178 VanDerWaalsContact C-N 3.29Å; V176-D178 PolarHBondContact O-N 3.47Å
179	S	89.1	Confident	87.5	Confident	65 Å²	65	44.1 Å²	44.1	46%	0.455	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-13.4	172.6	80.3	0	0	0	0	113.8	Q175 V176 V177 I210	Q175-S179 PolarHBondContact O-N 2.89Å; V176-S179 WeakPolarHBondContact O-CB 3.44Å; V176-S179 PolarHBondContact O-N 2.99Å; V176-S179 VanDerWaalsContact O-N 3.08Å; V176-S179 PolarHBondContact O-OG 3.12Å; V177-S179 PolarHBondContact O-N 3.49Å; S179-I210 WeakPolarHBondContact OG-CD1 3.4Å
180	F	88.3	Confident	87.5	Confident	36 Å²	36	45.3 Å²	45.3	16%	0.158	26%	0.255	C	S	.	.	S	Bend	trans	-84.9	166.6	176.2	-61.7	-25.1	0	0	0	111.4	L144 V176 V177 I184 V192 L198	L144-F180 HydrophobicContact CD2-CE2 4Å; L144-F180 HydrophobicContact CD2-CZ 4.33Å; V176-F180 HydrophobicContact CG1-CE1 4.34Å; V176-F180 HydrophobicContact CG1-CE2 4.38Å; V176-F180 HydrophobicContact CG1-CZ 3.92Å; V177-F180 WeakPolarHBondContact O-CB 3.23Å; V177-F180 PolarHBondContact O-N 3.09Å; F180-I184 HydrophobicContact CB-CB 4.25Å; F180-I184 HydrophobicContact CB-CG1 3.57Å; F180-I184 HydrophobicContact CD2-CG1 4.21Å; F180-I184 HydrophobicContact CD2-CG2 4.36Å; F180-I184 HydrophobicContact CG-CG1 4.32Å; F180-V192 HydrophobicContact CD2-CG1 4.44Å; F180-V192 HydrophobicContact CE2-CG1 4.42Å; F180-L198 HydrophobicContact CE2-CD1 4.36Å; F180-L198 HydrophobicContact CZ-CD1 4.47Å
181	P	83	Confident	87.7	Confident	81 Å²	81	41.9 Å²	41.9	53%	0.526	25%	0.245	S	C	.	.			trans	-55	145.7	176.5	-26.4	35.8	0	0	0	112.4	S183 I184	P181-S183 PolarHBondContact O-N 2.89Å; P181-I184 WeakPolarHBondContact O-CB 3.44Å; P181-I184 WeakPolarHBondContact O-CG1 3.37Å; P181-I184 PolarHBondContact O-N 2.93Å
182	E	77.3	Confident	88.1	Confident	169 Å²	169	38.7 Å²	38.7	79%	0.79	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-18.5	180	-66.9	-171	165.6	0	0	114.1	I184	E182-I184 PolarHBondContact O-N 2.95Å
183	S	81.6	Confident	88.3	Confident	41 Å²	41	38 Å²	38	29%	0.287	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-7.8	174.5	59.2	0	0	0	0	114.3	P181	P181-S183 PolarHBondContact O-N 2.89Å
184	I	89	Confident	88.4	Confident	12 Å²	12	38.4 Å²	38.4	6%	0.062	22%	0.218	C	C	.	.			trans	-68.9	137.5	177.9	-75.6	-57	0	0	0	111.4	V177 F180 P181 E182 V192 Y193 S194 L198	V177-I184 HydrophobicContact CG1-CG2 3.98Å; F180-I184 HydrophobicContact CB-CB 4.25Å; F180-I184 HydrophobicContact CB-CG1 3.57Å; F180-I184 HydrophobicContact CD2-CG1 4.21Å; F180-I184 HydrophobicContact CD2-CG2 4.36Å; F180-I184 HydrophobicContact CG-CG1 4.32Å; P181-I184 WeakPolarHBondContact O-CB 3.44Å; P181-I184 WeakPolarHBondContact O-CG1 3.37Å; P181-I184 PolarHBondContact O-N 2.93Å; E182-I184 PolarHBondContact O-N 2.95Å; I184-V192 HydrophobicContact CD1-CG1 4.16Å; I184-V192 HydrophobicContact CG2-CG1 3.65Å; I184-Y193 WeakPolarHBondContact CD1-O 3.29Å; I184-S194 WeakPolarHBondContact CD1-OG 3.47Å; I184-L198 HydrophobicContact CD1-CD2 4.25Å
185	I	91	Very high	88.5	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	129.1	174.4	-58.6	150.6	0	0	0	108.6	V192 Y193 L259 C262 I263 L477 F481	I185-V192 CarbonylContact O-C 3.57Å; I185-V192 WeakPolarHBondContact O-CA 3.19Å; I185-Y193 HydrophobicContact CB-CD2 4.25Å; I185-Y193 HydrophobicContact CG2-CD2 4.02Å; I185-Y193 PolarHBondContact N-O 3.14Å; I185-Y193 PolarHBondContact O-N 3.01Å; I185-L259 HydrophobicContact CD1-CD1 3.9Å; I185-C262 HydrophobicContact CG2-CB 3.98Å; I185-C262 WeakPolarHBondContact CG2-SG 3.32Å; I185-I263 HydrophobicContact CD1-CD1 3.77Å; I185-I263 HydrophobicContact CD1-CG1 3.47Å; I185-I263 VanDerWaalsContact CD1-CG1 3.47Å; I185-I263 HydrophobicContact CG1-CG1 3.92Å; I185-I263 HydrophobicContact CG2-CG1 4Å; I185-L477 HydrophobicContact CD1-CD2 4.07Å; I185-L477 HydrophobicContact CG1-CD1 3.77Å; I185-L477 HydrophobicContact CG1-CD2 3.74Å; I185-L477 HydrophobicContact CG1-CG 4.44Å; I185-F481 HydrophobicContact CD1-CE2 3.73Å; I185-F481 HydrophobicContact CD1-CZ 3.7Å
186	Y	88.8	Confident	88.5	Confident	8 Å²	8	40.4 Å²	40.4	3%	0.031	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	129	-178.3	173.7	-132.5	0	0	0	112.5	I173 Q174 V177 G188 G189 S191 V192 C262	I173-Y186 HydrophobicContact CG2-CE1 4.41Å; I173-Y186 HydrophobicContact CG2-CE2 3.96Å; I173-Y186 WeakPolarHBondContact CG2-OH 3Å; Q174-Y186 VanDerWaalsContact OE1-CD1 3.31Å; V177-Y186 HydrophobicContact CB-CD1 4.19Å; V177-Y186 HydrophobicContact CB-CG 4.35Å; V177-Y186 HydrophobicContact CG1-CD1 4.07Å; V177-Y186 HydrophobicContact CG1-CG 4.04Å; V177-Y186 HydrophobicContact CG2-CD1 3.79Å; V177-Y186 HydrophobicContact CG2-CD2 3.94Å; V177-Y186 HydrophobicContact CG2-CE1 4.15Å; V177-Y186 HydrophobicContact CG2-CE2 4.32Å; V177-Y186 HydrophobicContact CG2-CG 3.68Å; Y186-G188 VanDerWaalsContact CE1-CA 3.47Å; Y186-G188 VanDerWaalsContact CZ-C 3.49Å; Y186-G188 VanDerWaalsContact CZ-CA 3.43Å; Y186-G188 PolarHBondContact O-N 2.84Å; Y186-G188 VanDerWaalsContact OH-C 3.29Å; Y186-G189 PolarHBondContact OH-N 2.82Å; Y186-G189 PolarHBondContact OH-O 2.93Å; Y186-S191 WeakPolarHBondContact CD2-O 3.29Å; Y186-V192 HydrophobicContact CD2-CG2 3.78Å; Y186-V192 HydrophobicContact CE2-CG2 4.48Å; Y186-V192 HydrophobicContact CG-CG2 4.47Å; Y186-C262 PolarHBondContact O-SG 3.16Å; Y186-C262 VanDerWaalsContact O-SG 3.41Å
187	D	85.9	Confident	88.6	Confident	28 Å²	28	44.1 Å²	44.1	15%	0.15	26%	0.26	C	S	.	.			trans	-72.8	-15	-175.6	82.3	-41.2	0	0	0	114	G189 H190 S191 C262 K265	D187-G189 VanDerWaalsContact OD1-CA 3.27Å; D187-G189 WeakPolarHBondContact OD1-CA 3.33Å; D187-G189 PolarHBondContact OD1-N 2.89Å; D187-H190 PolarHBondContact OD1-N 2.84Å; D187-S191 PolarHBondContact N-O 3.03Å; D187-S191 VanDerWaalsContact N-O 3.16Å; D187-S191 PolarHBondContact OD1-N 2.66Å; D187-C262 WeakPolarHBondContact CA-SG 3.37Å; D187-C262 PolarHBondContact N-SG 3.09Å; D187-C262 VanDerWaalsContact N-SG 3.43Å; D187-K265 PolarHBondContact O-NZ 2.97Å
188	G	82.7	Confident	88.6	Confident	42 Å²	42	44.2 Å²	44.2	43%	0.433	26%	0.26	S	S	.	.	S	Bend	trans	86	11.3	-171.5	0	0	0	0	0	113.5	Y186	Y186-G188 VanDerWaalsContact CE1-CA 3.47Å; Y186-G188 VanDerWaalsContact CZ-C 3.49Å; Y186-G188 VanDerWaalsContact CZ-CA 3.43Å; Y186-G188 PolarHBondContact O-N 2.84Å; Y186-G188 VanDerWaalsContact OH-C 3.29Å
189	G	84.7	Confident	88.7	Confident	3 Å²	3	44.3 Å²	44.3	3%	0.031	27%	0.266	C	S	.	.	S	Bend	trans	-125.9	-93.1	-179.1	0	0	0	0	0	112	Y186 D187	Y186-G189 PolarHBondContact OH-N 2.82Å; Y186-G189 PolarHBondContact OH-O 2.93Å; D187-G189 VanDerWaalsContact OD1-CA 3.27Å; D187-G189 WeakPolarHBondContact OD1-CA 3.33Å; D187-G189 PolarHBondContact OD1-N 2.89Å
190	H	88.2	Confident	88.7	Confident	60 Å²	60	44.4 Å²	44.4	28%	0.278	28%	0.278	S	S	.	.	S	Bend	trans	-133	-19.3	-176.3	-62.2	-74.3	0	0	0	111.9	F143 L144 D187	F143-H190 CarbonylContact C-O 3.57Å; F143-H190 VanDerWaalsContact CA-O 3.31Å; F143-H190 WeakPolarHBondContact CA-O 3.46Å; L144-H190 PolarHBondContact N-O 3.29Å; L144-H190 WeakPolarHBondContact O-CB 3.33Å; L144-H190 PolarHBondContact O-ND1 3.42Å; D187-H190 PolarHBondContact OD1-N 2.84Å
191	S	92.7	Very high	88.9	Confident	18 Å²	18	43.3 Å²	43.3	13%	0.126	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	121.9	-170.6	-59.7	0	0	0	0	110.6	Y142 F143 Y186 D187	Y142-S191 WeakPolarHBondContact O-CA 3.3Å; F143-S191 VanDerWaalsContact CE1-OG 3.31Å; F143-S191 WeakPolarHBondContact CE1-OG 3.39Å; Y186-S191 WeakPolarHBondContact CD2-O 3.29Å; D187-S191 PolarHBondContact N-O 3.03Å; D187-S191 VanDerWaalsContact N-O 3.16Å; D187-S191 PolarHBondContact OD1-N 2.66Å
192	V	94	Very high	89.4	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132.2	174.6	168	0	0	0	0	108.4	Y142 L144 V177 F180 I184 I185 Y186	Y142-V192 PolarHBondContact N-O 3.2Å; Y142-V192 PolarHBondContact O-N 3.44Å; L144-V192 HydrophobicContact CD1-CB 3.74Å; L144-V192 HydrophobicContact CD1-CG2 3.55Å; L144-V192 HydrophobicContact CD2-CG2 4.15Å; L144-V192 HydrophobicContact CG-CG2 4.4Å; V177-V192 HydrophobicContact CG2-CG2 3.95Å; F180-V192 HydrophobicContact CD2-CG1 4.44Å; F180-V192 HydrophobicContact CE2-CG1 4.42Å; I184-V192 HydrophobicContact CD1-CG1 4.16Å; I184-V192 HydrophobicContact CG2-CG1 3.65Å; I185-V192 CarbonylContact O-C 3.57Å; I185-V192 WeakPolarHBondContact O-CA 3.19Å; Y186-V192 HydrophobicContact CD2-CG2 3.78Å; Y186-V192 HydrophobicContact CE2-CG2 4.48Å; Y186-V192 HydrophobicContact CG-CG2 4.47Å
193	Y	95.2	Very high	90.2	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.016	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	136.6	176.3	-48.1	-101.4	0	0	0	110.5	V139 Y140 L141 I184 I185 L259	V139-Y193 HydrophobicContact CG2-CD1 4.03Å; Y140-Y193 VanDerWaalsContact O-CA 3.29Å; Y140-Y193 WeakPolarHBondContact O-CA 3.4Å; L141-Y193 HydrophobicContact CB-CD1 4.12Å; L141-Y193 HydrophobicContact CB-CE1 4.18Å; L141-Y193 HydrophobicContact CD1-CD1 3.94Å; L141-Y193 HydrophobicContact CD1-CE1 3.61Å; L141-Y193 HydrophobicContact CD1-CE2 4.4Å; L141-Y193 HydrophobicContact CD2-CE1 4.43Å; L141-Y193 HydrophobicContact CG-CE1 4.27Å; I184-Y193 WeakPolarHBondContact CD1-O 3.29Å; I185-Y193 HydrophobicContact CB-CD2 4.25Å; I185-Y193 HydrophobicContact CG2-CD2 4.02Å; I185-Y193 PolarHBondContact N-O 3.14Å; I185-Y193 PolarHBondContact O-N 3.01Å; Y193-L259 HydrophobicContact CD1-CB 4.44Å; Y193-L259 HydrophobicContact CD1-CD1 3.7Å; Y193-L259 HydrophobicContact CD2-CD1 4.03Å; Y193-L259 HydrophobicContact CE1-CB 4.11Å; Y193-L259 HydrophobicContact CE1-CD1 4.17Å; Y193-L259 HydrophobicContact CG-CD1 3.6Å
194	S	94	Very high	90.7	Very high	9 Å²	9	42.1 Å²	42.1	6%	0.063	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	139.7	177.6	-170.3	0	0	0	0	110.7	V139 Y140 I184 S196	V139-S194 CarbonylContact C-O 3.57Å; V139-S194 WeakPolarHBondContact CA-O 3.5Å; V139-S194 WeakPolarHBondContact CB-O 3.38Å; Y140-S194 PolarHBondContact N-O 3.13Å; Y140-S194 PolarHBondContact O-N 2.87Å; I184-S194 WeakPolarHBondContact CD1-OG 3.47Å; S194-S196 VanDerWaalsContact CB-O 3.25Å; S194-S196 WeakPolarHBondContact CB-O 3.4Å; S194-S196 PolarHBondContact OG-N 2.83Å; S194-S196 PolarHBondContact OG-O 3.17Å
195	E	90.9	Very high	90.9	Very high	70 Å²	70	45.7 Å²	45.7	33%	0.327	30%	0.295	S	S	.	.	S	Bend	trans	-72.3	-35.7	173.4	-176.7	167.2	-176	0	0	111.9	K137 Q480	K137-E195 VanDerWaalsContact NZ-CD 3.3Å; K137-E195 IonicContact NZ-OE1 3.48Å; K137-E195 PolarHBondContact NZ-OE1 2.82Å; K137-E195 IonicContact NZ-OE2 2.74Å; K137-E195 PolarHBondContact NZ-OE2 2.75Å; K137-E195 VanDerWaalsContact NZ-OE2 3.15Å; E195-Q480 WeakPolarHBondContact OE2-CG 3.37Å; E195-Q480 PolarHBondContact OE2-NE2 3.21Å
196	S	91.7	Very high	91.1	Very high	79 Å²	79	47.9 Å²	47.9	55%	0.552	31%	0.308	S	S	*	.	S	Bend	trans	-104.1	149.8	176.2	-62.5	0	0	0	0	111.3	S194 L198	S194-S196 VanDerWaalsContact CB-O 3.25Å; S194-S196 WeakPolarHBondContact CB-O 3.4Å; S194-S196 PolarHBondContact OG-N 2.83Å; S194-S196 PolarHBondContact OG-O 3.17Å; S196-L198 PolarHBondContact O-N 3.28Å
197	P	92.5	Very high	91.4	Very high	77 Å²	77	52.3 Å²	52.3	50%	0.5	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-53.2	137.1	172.8	-23.9	32.8	0	0	0	111.8	Y140 Y142	Y140-P197 HydrophobicContact CE1-CG 4.15Å; Y140-P197 HydrophobicContact CE2-CG 3.87Å; Y142-P197 WeakPolarHBondContact OH-CA 3.5Å
198	L	91.5	Very high	91.8	Very high	15 Å²	15	54.3 Å²	54.3	8%	0.079	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-75.6	130.5	173.1	-72.3	179.2	0	0	0	109.3	Y142 F180 I184 S196 G200 I201	Y142-L198 HydrophobicContact CD1-CD1 4.14Å; Y142-L198 HydrophobicContact CD2-CD1 3.75Å; Y142-L198 HydrophobicContact CD2-CG 4.24Å; Y142-L198 HydrophobicContact CE1-CB 4.16Å; Y142-L198 HydrophobicContact CE1-CD1 4.19Å; Y142-L198 HydrophobicContact CE1-CG 4.31Å; Y142-L198 HydrophobicContact CE2-CB 4.4Å; Y142-L198 HydrophobicContact CE2-CD1 3.81Å; Y142-L198 HydrophobicContact CE2-CG 3.77Å; Y142-L198 HydrophobicContact CG-CD1 3.92Å; Y142-L198 PolarHBondContact OH-N 3.34Å; F180-L198 HydrophobicContact CE2-CD1 4.36Å; F180-L198 HydrophobicContact CZ-CD1 4.47Å; I184-L198 HydrophobicContact CD1-CD2 4.25Å; S196-L198 PolarHBondContact O-N 3.28Å; L198-G200 PolarHBondContact O-N 3.48Å; L198-I201 HydrophobicContact CB-CB 4.09Å; L198-I201 HydrophobicContact CB-CG1 3.8Å; L198-I201 PolarHBondContact O-N 3.2Å; L198-I201 VanDerWaalsContact O-N 3.16Å
199	P	89.9	Confident	92.3	Very high	111 Å²	111	57.1 Å²	57.1	72%	0.721	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	125.6	-176.9	-26.6	34.1	0	0	0	113.2	I201 K208	P199-I201 VanDerWaalsContact C-N 3.25Å; P199-I201 PolarHBondContact O-N 3.28Å; P199-K208 PolarHBondContact O-NZ 3.16Å
200	G	90.6	Very high	92.7	Very high	68 Å²	68	58.8 Å²	58.8	70%	0.701	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	13	177.1	0	0	0	0	0	115.3	L198	L198-G200 PolarHBondContact O-N 3.48Å
201	I	92.4	Very high	92.9	Very high	13 Å²	13	59.8 Å²	59.8	7%	0.067	35%	0.354	C	S	.	.			trans	-104.1	129.9	174.9	-52.9	-49.5	0	0	0	109.3	Y142 L198 P199 K208 V227	Y142-I201 HydrophobicContact CD1-CB 4.44Å; Y142-I201 HydrophobicContact CD1-CG2 3.6Å; Y142-I201 HydrophobicContact CE1-CB 4.06Å; Y142-I201 HydrophobicContact CE1-CG2 3.61Å; L198-I201 HydrophobicContact CB-CB 4.09Å; L198-I201 HydrophobicContact CB-CG1 3.8Å; L198-I201 PolarHBondContact O-N 3.2Å; L198-I201 VanDerWaalsContact O-N 3.16Å; P199-I201 VanDerWaalsContact C-N 3.25Å; P199-I201 PolarHBondContact O-N 3.28Å; I201-K208 HydrophobicContact CD1-CD 4.26Å; I201-K208 VanDerWaalsContact CD1-CE 3.42Å; I201-K208 VanDerWaalsContact CD1-NZ 3.31Å; I201-V227 HydrophobicContact CD1-CG1 3.46Å; I201-V227 VanDerWaalsContact CD1-CG1 3.46Å; I201-V227 HydrophobicContact CD1-CG2 4.42Å; I201-V227 HydrophobicContact CG1-CG1 4.28Å; I201-V227 HydrophobicContact CG1-CG2 4.36Å; I201-V227 HydrophobicContact CG2-CG2 3.99Å
202	T	92.8	Very high	92.8	Very high	68 Å²	68	59.5 Å²	59.5	42%	0.417	35%	0.35	S	S	.	.			trans	-125.9	-169.7	176	66.8	0	0	0	0	109.7	D204 E229	T202-D204 PolarHBondContact O-N 3.25Å; T202-D204 PolarHBondContact OG1-N 3.37Å; T202-E229 WeakPolarHBondContact O-CB 3.32Å; T202-E229 PolarHBondContact O-N 3.33Å
203	T	93.2	Very high	92.4	Very high	86 Å²	86	67.8 Å²	67.8	53%	0.528	39%	0.387	S	S	.	.	S	Bend	trans	-67.5	-18.1	173.2	50.7	0	0	0	0	113.6	M228 E229	T203-M228 WeakPolarHBondContact O-CE 3.43Å; T203-E229 WeakPolarHBondContact CA-O 3.3Å; T203-E229 HydrophobicContact CG2-CB 4.35Å
204	D	94	Very high	91.9	Very high	112 Å²	112	68.9 Å²	68.9	60%	0.599	39%	0.392	S	S	*	.	S	Bend	trans	-80.6	132.5	174.4	-63.3	-45.8	0	0	0	110	T202 V206	T202-D204 PolarHBondContact O-N 3.25Å; T202-D204 PolarHBondContact OG1-N 3.37Å; D204-V206 PolarHBondContact O-N 2.8Å
205	P	92.9	Very high	91.2	Very high	86 Å²	86	71.4 Å²	71.4	56%	0.558	41%	0.409	S	S	*	.			trans	-61.5	122.7	177.7	-21.4	31.6	0	0	0	112.8	M228	P205-M228 HydrophobicContact CB-CB 4.43Å; P205-M228 HydrophobicContact CG-CB 4.39Å; P205-M228 HydrophobicContact CG-CE 4.08Å; P205-M228 HydrophobicContact CG-SD 3.94Å
206	V	94.6	Very high	90.8	Very high	49 Å²	49	69.8 Å²	69.8	30%	0.297	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	135.5	174.3	-177.1	0	0	0	0	109.4	D204 K208 R226 V227	D204-V206 PolarHBondContact O-N 2.8Å; V206-K208 HydrophobicContact CG1-CG 4.37Å; V206-R226 CarbonylContact O-C 3.47Å; V206-R226 WeakPolarHBondContact O-CA 3.19Å; V206-V227 PolarHBondContact N-O 3.06Å; V206-V227 PolarHBondContact O-N 3.18Å
207	E	95.5	Very high	90.3	Very high	101 Å²	101	67.9 Å²	67.9	47%	0.472	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	130.5	172.7	-166.7	154.7	-105.8	0	0	110	S147 T224 Y225 R226	S147-E207 WeakPolarHBondContact CB-OE1 3.05Å; S147-E207 PolarHBondContact OG-OE1 3.19Å; E207-T224 HydrophobicContact CG-CG2 3.35Å; E207-Y225 WeakPolarHBondContact CA-O 3Å; E207-R226 HydrophobicContact CB-CG 4.22Å; E207-R226 HydrophobicContact CG-CG 4.23Å; E207-R226 IonicContact OE1-CZ 3.76Å; E207-R226 IonicContact OE1-NE 3.73Å; E207-R226 PolarHBondContact OE1-NE 2.79Å; E207-R226 VanDerWaalsContact OE1-NE 3.07Å; E207-R226 IonicContact OE1-NH2 3.9Å
208	K	93.8	Very high	89.8	Confident	69 Å²	69	68.6 Å²	68.6	30%	0.3	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	155.9	179.9	-71.2	-169.7	172.4	-177.1	0	110.1	P199 I201 V206 T224 Y225 V227	P199-K208 PolarHBondContact O-NZ 3.16Å; I201-K208 HydrophobicContact CD1-CD 4.26Å; I201-K208 VanDerWaalsContact CD1-CE 3.42Å; I201-K208 VanDerWaalsContact CD1-NZ 3.31Å; V206-K208 HydrophobicContact CG1-CG 4.37Å; K208-T224 CarbonylContact O-C 3.54Å; K208-T224 WeakPolarHBondContact O-CA 3.48Å; K208-Y225 HydrophobicContact CB-CD1 4.43Å; K208-Y225 HydrophobicContact CB-CE1 3.8Å; K208-Y225 HydrophobicContact CB-CE2 4.01Å; K208-Y225 PolarHBondContact N-O 3.43Å; K208-Y225 PolarHBondContact O-N 2.85Å; K208-V227 HydrophobicContact CD-CG1 4.31Å
209	E	93.4	Very high	89.3	Confident	102 Å²	102	70 Å²	70	48%	0.477	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	144.8	173.7	-57.2	-164.8	144.1	0	0	110.2	K159 L222 L223 T224	K159-E209 IonicContact NZ-OE1 3.43Å; K159-E209 IonicContact NZ-OE2 3.83Å; K159-E209 PolarHBondContact NZ-OE2 3.4Å; E209-L222 HydrophobicContact CB-CD1 4.18Å; E209-L222 HydrophobicContact CB-CD2 4.18Å; E209-L222 HydrophobicContact CB-CG 4.19Å; E209-L222 HydrophobicContact CG-CD2 4.41Å; E209-L222 VanDerWaalsContact OE2-CD2 3.28Å; E209-L222 WeakPolarHBondContact OE2-CD2 3.21Å; E209-L223 CarbonylContact C-O 3.49Å; E209-L223 WeakPolarHBondContact CA-O 3.46Å; E209-T224 HydrophobicContact CG-CG2 4.23Å; E209-T224 PolarHBondContact OE1-OG1 2.71Å
210	I	93.1	Very high	89.1	Confident	38 Å²	38	71.1 Å²	71.1	20%	0.195	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	139.3	174.3	-170.1	173.3	0	0	0	111	V176 S179 I212 L222 L223 Y225	V176-I210 HydrophobicContact CG2-CG2 4.05Å; S179-I210 WeakPolarHBondContact OG-CD1 3.4Å; I210-I212 HydrophobicContact CG2-CG2 4.05Å; I210-I212 PolarHBondContact O-N 3.35Å; I210-L222 WeakPolarHBondContact O-CA 3.38Å; I210-L223 HydrophobicContact CG2-CB 4.24Å; I210-L223 PolarHBondContact N-O 3.18Å; I210-L223 PolarHBondContact O-N 2.74Å; I210-Y225 HydrophobicContact CB-CE1 4.22Å; I210-Y225 HydrophobicContact CG2-CD1 4.14Å; I210-Y225 HydrophobicContact CG2-CE1 3.76Å
211	D	92.1	Very high	89.1	Confident	81 Å²	81	68.3 Å²	68.3	43%	0.433	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	125.9	169	-79.8	-58.2	0	0	0	109.4	R220 L221	D211-R220 IonicContact OD1-CZ 3.18Å; D211-R220 IonicContact OD1-NE 2.67Å; D211-R220 PolarHBondContact OD1-NE 2.63Å; D211-R220 IonicContact OD1-NH2 3.71Å; D211-R220 PolarHBondContact OD1-NH2 3.49Å; D211-R220 IonicContact OD2-CZ 2.78Å; D211-R220 IonicContact OD2-NE 2.62Å; D211-R220 IonicContact OD2-NH2 3.56Å; D211-R220 PolarHBondContact OD2-NH2 2.93Å; D211-L221 CarbonylContact C-O 3.51Å; D211-L221 WeakPolarHBondContact CA-O 3.44Å
212	I	90.8	Very high	89.1	Confident	11 Å²	11	68.3 Å²	68.3	6%	0.056	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	145.6	177.6	53.9	158.6	0	0	0	110.3	V149 L172 Q175 I210 D214 L221 L223	V149-I212 HydrophobicContact CG1-CD1 4.36Å; L172-I212 HydrophobicContact CB-CD1 4.34Å; L172-I212 HydrophobicContact CD1-CD1 3.82Å; L172-I212 HydrophobicContact CD2-CD1 4.11Å; L172-I212 HydrophobicContact CG-CD1 4.31Å; Q175-I212 HydrophobicContact CB-CG2 3.97Å; I210-I212 HydrophobicContact CG2-CG2 4.05Å; I210-I212 PolarHBondContact O-N 3.35Å; I212-D214 PolarHBondContact O-N 3.11Å; I212-L221 HydrophobicContact CD1-CB 4.07Å; I212-L221 HydrophobicContact CD1-CD1 4.43Å; I212-L221 HydrophobicContact CG1-CB 3.66Å; I212-L221 PolarHBondContact N-O 3.19Å; I212-L223 HydrophobicContact CD1-CB 3.92Å; I212-L223 HydrophobicContact CG1-CB 4.06Å; I212-L223 HydrophobicContact CG2-CB 3.79Å; I212-L223 HydrophobicContact CG2-CD2 4.17Å
213	K	86.4	Confident	89.1	Confident	175 Å²	175	65.1 Å²	65.1	76%	0.761	34%	0.335	S	S	*	.			trans	-68.1	128.6	171.8	-65.3	-178.5	-178.4	177	0	108.4	Q175 P215	Q175-K213 PolarHBondContact NE2-O 2.66Å; Q175-K213 PolarHBondContact OE1-O 3.39Å; K213-P215 VanDerWaalsContact O-CD 3.23Å; K213-P215 WeakPolarHBondContact O-CD 3.19Å
214	D	84.5	Confident	89.2	Confident	26 Å²	26	61.2 Å²	61.2	14%	0.139	31%	0.311	C	S	.	.			trans	-66.2	118.7	167.1	-177.9	1.8	0	0	0	109.2	I212 L216 G217 R218 D219 L221	I212-D214 PolarHBondContact O-N 3.11Å; D214-L216 PolarHBondContact O-N 3.11Å; D214-L216 WeakPolarHBondContact OD1-CB 3.21Å; D214-L216 PolarHBondContact OD1-N 2.7Å; D214-G217 PolarHBondContact O-N 2.74Å; D214-R218 WeakPolarHBondContact OD2-CA 3.18Å; D214-R218 WeakPolarHBondContact OD2-CB 3.25Å; D214-R218 PolarHBondContact OD2-N 2.87Å; D214-D219 VanDerWaalsContact CB-O 3.28Å; D214-D219 WeakPolarHBondContact CB-O 3.49Å; D214-D219 PolarHBondContact OD2-N 3.32Å; D214-L221 HydrophobicContact CB-CD1 3.76Å; D214-L221 HydrophobicContact CB-CG 4.04Å
215	P	79	Confident	89.3	Confident	63 Å²	63	56.4 Å²	56.4	41%	0.409	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-17.3	175.7	-23.8	35.4	0	0	0	114	L172 K213	L172-P215 HydrophobicContact CD2-CG 4.38Å; K213-P215 VanDerWaalsContact O-CD 3.23Å; K213-P215 WeakPolarHBondContact O-CD 3.19Å
216	L	83.2	Confident	89.4	Confident	35 Å²	35	58.3 Å²	58.3	18%	0.183	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-13.1	177.4	-60.1	-176.5	0	0	0	113.4	D214 R218 Y369 S370 R372	D214-L216 PolarHBondContact O-N 3.11Å; D214-L216 WeakPolarHBondContact OD1-CB 3.21Å; D214-L216 PolarHBondContact OD1-N 2.7Å; L216-R218 VanDerWaalsContact C-N 3.28Å; L216-R218 HydrophobicContact CB-CB 4.45Å; L216-R218 PolarHBondContact O-N 3.49Å; L216-Y369 WeakPolarHBondContact O-CB 3.49Å; L216-S370 WeakPolarHBondContact CB-O 3.12Å; L216-S370 PolarHBondContact O-N 3.38Å; L216-R372 HydrophobicContact CD2-CB 4.1Å; L216-R372 HydrophobicContact CD2-CG 3.6Å
217	G	81.3	Confident	89.4	Confident	40 Å²	40	56.1 Å²	56.1	41%	0.412	27%	0.267	S	S	.	.	S	Bend	trans	69	20.2	-175.3	0	0	0	0	0	114.5	D214 Y369	D214-G217 PolarHBondContact O-N 2.74Å; G217-Y369 VanDerWaalsContact O-CB 3.31Å; G217-Y369 WeakPolarHBondContact O-CB 3.15Å
218	R	80.4	Confident	89.4	Confident	91 Å²	91	54.3 Å²	54.3	34%	0.343	26%	0.259	S	S	.	.	S	Bend	trans	-88.6	-48.5	-173	-177.5	-174.1	179.2	-145.8	-4	112.9	D214 L216 Y369	D214-R218 WeakPolarHBondContact OD2-CA 3.18Å; D214-R218 WeakPolarHBondContact OD2-CB 3.25Å; D214-R218 PolarHBondContact OD2-N 2.87Å; L216-R218 VanDerWaalsContact C-N 3.28Å; L216-R218 HydrophobicContact CB-CB 4.45Å; L216-R218 PolarHBondContact O-N 3.49Å; R218-Y369 HydrophobicContact CB-CD2 3.56Å; R218-Y369 HydrophobicContact CB-CE2 3.94Å; R218-Y369 HydrophobicContact CB-CG 3.98Å; R218-Y369 HydrophobicContact CG-CD2 3.69Å; R218-Y369 HydrophobicContact CG-CE1 4.33Å; R218-Y369 HydrophobicContact CG-CE2 3.52Å; R218-Y369 HydrophobicContact CG-CG 4.2Å
219	D	81.5	Confident	89.6	Confident	45 Å²	45	52.8 Å²	52.8	24%	0.241	25%	0.254	C	S	.	.	S	Bend	trans	-129	155.7	-166.7	-63.9	-63.5	0	0	0	111.7	R151 D214 L221	R151-D219 VanDerWaalsContact CD-OD1 3.25Å; R151-D219 WeakPolarHBondContact CD-OD1 3.29Å; R151-D219 HydrophobicContact CG-CB 4.06Å; D214-D219 VanDerWaalsContact CB-O 3.28Å; D214-D219 WeakPolarHBondContact CB-O 3.49Å; D214-D219 PolarHBondContact OD2-N 3.32Å; D219-L221 HydrophobicContact CB-CD2 3.81Å; D219-L221 HydrophobicContact CB-CG 4.39Å
220	R	85.6	Confident	89.7	Confident	134 Å²	134	50.6 Å²	50.6	51%	0.506	25%	0.247	S	C	.	.			trans	-77.7	122.4	161.1	-176.5	-179.5	174.4	-176.8	2.6	108.5	V152 D211	V152-R220 HydrophobicContact CB-CB 4.45Å; V152-R220 HydrophobicContact CB-CG 4.32Å; V152-R220 HydrophobicContact CG2-CG 4.47Å; V152-R220 PolarHBondContact N-O 3.49Å; D211-R220 IonicContact OD1-CZ 3.18Å; D211-R220 IonicContact OD1-NE 2.67Å; D211-R220 PolarHBondContact OD1-NE 2.63Å; D211-R220 IonicContact OD1-NH2 3.71Å; D211-R220 PolarHBondContact OD1-NH2 3.49Å; D211-R220 IonicContact OD2-CZ 2.78Å; D211-R220 IonicContact OD2-NE 2.62Å; D211-R220 IonicContact OD2-NH2 3.56Å; D211-R220 PolarHBondContact OD2-NH2 2.93Å
221	L	90.2	Very high	89.8	Confident	9 Å²	9	52.8 Å²	52.8	5%	0.047	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	142.4	-173.5	-62.9	-173.1	0	0	0	111.3	Y150 R151 I162 D211 I212 D214 D219	Y150-L221 CarbonylContact O-C 3.59Å; Y150-L221 WeakPolarHBondContact O-CA 3.47Å; R151-L221 HydrophobicContact CB-CD2 4.34Å; I162-L221 HydrophobicContact CD1-CD2 3.38Å; D211-L221 CarbonylContact C-O 3.51Å; D211-L221 WeakPolarHBondContact CA-O 3.44Å; I212-L221 HydrophobicContact CD1-CB 4.07Å; I212-L221 HydrophobicContact CD1-CD1 4.43Å; I212-L221 HydrophobicContact CG1-CB 3.66Å; I212-L221 PolarHBondContact N-O 3.19Å; D214-L221 HydrophobicContact CB-CD1 3.76Å; D214-L221 HydrophobicContact CB-CG 4.04Å; D219-L221 HydrophobicContact CB-CD2 3.81Å; D219-L221 HydrophobicContact CB-CG 4.39Å
222	L	92.5	Very high	90	Very high	14 Å²	14	54.7 Å²	54.7	7%	0.073	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	127.6	174.6	-169.4	78	0	0	0	109.3	V149 Y150 V152 K159 E209 I210	V149-L222 CarbonylContact C-O 3.48Å; V149-L222 WeakPolarHBondContact CA-O 3.49Å; Y150-L222 PolarHBondContact N-O 2.95Å; Y150-L222 PolarHBondContact O-N 3.4Å; V152-L222 HydrophobicContact CG2-CB 3.99Å; K159-L222 HydrophobicContact CD-CD2 4.02Å; E209-L222 HydrophobicContact CB-CD1 4.18Å; E209-L222 HydrophobicContact CB-CD2 4.18Å; E209-L222 HydrophobicContact CB-CG 4.19Å; E209-L222 HydrophobicContact CG-CD2 4.41Å; E209-L222 VanDerWaalsContact OE2-CD2 3.28Å; E209-L222 WeakPolarHBondContact OE2-CD2 3.21Å; I210-L222 WeakPolarHBondContact O-CA 3.38Å
223	L	94.1	Very high	90.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	122.1	175.6	172	65.4	0	0	0	109.6	A146 V149 L172 V176 E209 I210 I212	A146-L223 HydrophobicContact CB-CD1 3.98Å; V149-L223 HydrophobicContact CG2-CD1 3.72Å; L172-L223 HydrophobicContact CB-CD2 4.05Å; V176-L223 HydrophobicContact CG2-CD2 3.41Å; V176-L223 VanDerWaalsContact CG2-CD2 3.41Å; V176-L223 HydrophobicContact CG2-CG 4.47Å; E209-L223 CarbonylContact C-O 3.49Å; E209-L223 WeakPolarHBondContact CA-O 3.46Å; I210-L223 HydrophobicContact CG2-CB 4.24Å; I210-L223 PolarHBondContact N-O 3.18Å; I210-L223 PolarHBondContact O-N 2.74Å; I212-L223 HydrophobicContact CD1-CB 3.92Å; I212-L223 HydrophobicContact CG1-CB 4.06Å; I212-L223 HydrophobicContact CG2-CB 3.79Å; I212-L223 HydrophobicContact CG2-CD2 4.17Å
224	T	95.4	Very high	90.8	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	126.4	168.2	-51.3	0	0	0	0	108.5	S147 A148 Y150 E207 K208 E209	S147-T224 WeakPolarHBondContact CA-O 3.29Å; S147-T224 WeakPolarHBondContact CB-O 3.43Å; S147-T224 PolarHBondContact N-O 3.26Å; A148-T224 PolarHBondContact N-O 3.18Å; A148-T224 VanDerWaalsContact N-O 3.15Å; A148-T224 PolarHBondContact O-N 3.11Å; Y150-T224 VanDerWaalsContact CE2-OG1 3.32Å; Y150-T224 WeakPolarHBondContact CE2-OG1 3.35Å; E207-T224 HydrophobicContact CG-CG2 3.35Å; K208-T224 CarbonylContact O-C 3.54Å; K208-T224 WeakPolarHBondContact O-CA 3.48Å; E209-T224 HydrophobicContact CG-CG2 4.23Å; E209-T224 PolarHBondContact OE1-OG1 2.71Å
225	Y	94.8	Very high	91.4	Very high	11 Å²	11	45.5 Å²	45.5	4%	0.043	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	149.7	-178.5	67.9	-83.9	0	0	0	111.3	L144 E145 V176 E207 K208 I210 V227	L144-Y225 HydrophobicContact CD2-CD2 4.49Å; E145-Y225 CarbonylContact O-C 3.6Å; E145-Y225 WeakPolarHBondContact O-CA 3.18Å; E145-Y225 WeakPolarHBondContact O-CB 3.43Å; V176-Y225 HydrophobicContact CG1-CD1 4.18Å; V176-Y225 HydrophobicContact CG1-CD2 4.08Å; V176-Y225 HydrophobicContact CG1-CE1 3.73Å; V176-Y225 HydrophobicContact CG1-CE2 3.61Å; V176-Y225 HydrophobicContact CG1-CG 4.34Å; V176-Y225 VanDerWaalsContact CG1-CZ 3.41Å; V176-Y225 HydrophobicContact CG2-CD1 3.92Å; V176-Y225 HydrophobicContact CG2-CE1 4.11Å; V176-Y225 HydrophobicContact CG2-CG 4.24Å; E207-Y225 WeakPolarHBondContact CA-O 3Å; K208-Y225 HydrophobicContact CB-CD1 4.43Å; K208-Y225 HydrophobicContact CB-CE1 3.8Å; K208-Y225 HydrophobicContact CB-CE2 4.01Å; K208-Y225 PolarHBondContact N-O 3.43Å; K208-Y225 PolarHBondContact O-N 2.85Å; I210-Y225 HydrophobicContact CB-CE1 4.22Å; I210-Y225 HydrophobicContact CG2-CD1 4.14Å; I210-Y225 HydrophobicContact CG2-CE1 3.76Å; Y225-V227 HydrophobicContact CD2-CB 4.37Å; Y225-V227 HydrophobicContact CD2-CG1 4.44Å; Y225-V227 HydrophobicContact CE2-CB 4.23Å; Y225-V227 HydrophobicContact CE2-CG1 4.01Å
226	R	95	Very high	92.2	Very high	126 Å²	126	44.1 Å²	44.1	48%	0.475	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	141.8	173	-71	171.4	-173	-169.9	-2.7	110.3	L144 E145 V206 E207	L144-R226 CarbonylContact C-O 3.15Å; L144-R226 VanDerWaalsContact CA-O 3.3Å; L144-R226 WeakPolarHBondContact CA-O 3.46Å; E145-R226 PolarHBondContact N-O 3.21Å; E145-R226 PolarHBondContact O-N 3.07Å; V206-R226 CarbonylContact O-C 3.47Å; V206-R226 WeakPolarHBondContact O-CA 3.19Å; E207-R226 HydrophobicContact CB-CG 4.22Å; E207-R226 HydrophobicContact CG-CG 4.23Å; E207-R226 IonicContact OE1-CZ 3.76Å; E207-R226 IonicContact OE1-NE 3.73Å; E207-R226 PolarHBondContact OE1-NE 2.79Å; E207-R226 VanDerWaalsContact OE1-NE 3.07Å; E207-R226 IonicContact OE1-NH2 3.9Å
227	V	95.3	Very high	92.8	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.018	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	137.8	178.2	55.3	0	0	0	0	110.3	F143 L144 I201 V206 K208 Y225	F143-V227 WeakPolarHBondContact O-CA 3.38Å; L144-V227 HydrophobicContact CD1-CB 4.47Å; L144-V227 HydrophobicContact CD1-CG2 3.84Å; L144-V227 HydrophobicContact CG-CB 4.25Å; L144-V227 HydrophobicContact CG-CG2 4.14Å; I201-V227 HydrophobicContact CD1-CG1 3.46Å; I201-V227 VanDerWaalsContact CD1-CG1 3.46Å; I201-V227 HydrophobicContact CD1-CG2 4.42Å; I201-V227 HydrophobicContact CG1-CG1 4.28Å; I201-V227 HydrophobicContact CG1-CG2 4.36Å; I201-V227 HydrophobicContact CG2-CG2 3.99Å; V206-V227 PolarHBondContact N-O 3.06Å; V206-V227 PolarHBondContact O-N 3.18Å; K208-V227 HydrophobicContact CD-CG1 4.31Å; Y225-V227 HydrophobicContact CD2-CB 4.37Å; Y225-V227 HydrophobicContact CD2-CG1 4.44Å; Y225-V227 HydrophobicContact CE2-CB 4.23Å; Y225-V227 HydrophobicContact CE2-CG1 4.01Å
228	M	96	Very high	93.5	Very high	62 Å²	62	44 Å²	44	31%	0.305	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	146.7	178	63.9	-172.3	-63.3	0	0	111	Y142 F143 T203 P205	Y142-M228 CarbonylContact C-O 3.54Å; Y142-M228 WeakPolarHBondContact CA-O 3.31Å; Y142-M228 WeakPolarHBondContact CB-O 3.46Å; F143-M228 HydrophobicContact CB-CG 4.33Å; F143-M228 PolarHBondContact N-O 3.06Å; F143-M228 PolarHBondContact O-N 2.99Å; T203-M228 WeakPolarHBondContact O-CE 3.43Å; P205-M228 HydrophobicContact CB-CB 4.43Å; P205-M228 HydrophobicContact CG-CB 4.39Å; P205-M228 HydrophobicContact CG-CE 4.08Å; P205-M228 HydrophobicContact CG-SD 3.94Å
229	E	96.7	Very high	94.2	Very high	38 Å²	38	42.7 Å²	42.7	18%	0.178	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	132.2	165.2	-172	179.7	153.9	0	0	109.3	Y140 Y142 T202 T203	Y140-E229 WeakPolarHBondContact CD1-OE1 3.44Å; Y142-E229 HydrophobicContact CD1-CB 3.96Å; Y142-E229 HydrophobicContact CE1-CB 3.79Å; Y142-E229 HydrophobicContact CE1-CG 4.15Å; T202-E229 WeakPolarHBondContact O-CB 3.32Å; T202-E229 PolarHBondContact O-N 3.33Å; T203-E229 WeakPolarHBondContact CA-O 3.3Å; T203-E229 HydrophobicContact CG2-CB 4.35Å
230	V	95.5	Very high	94.8	Very high	56 Å²	56	46.5 Å²	46.5	34%	0.339	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-55.3	179.7	-178.7	0	0	0	0	110.2	L141 F143	L141-V230 HydrophobicContact CD2-CB 4.39Å; L141-V230 HydrophobicContact CD2-CG1 4.49Å; L141-V230 HydrophobicContact CG-CB 4.21Å; L141-V230 PolarHBondContact O-N 2.58Å; F143-V230 HydrophobicContact CB-CG2 3.92Å; F143-V230 HydrophobicContact CD1-CG2 3.77Å; F143-V230 HydrophobicContact CD2-CG2 3.77Å; F143-V230 HydrophobicContact CE1-CG2 4.17Å; F143-V230 HydrophobicContact CE2-CG2 4.19Å; F143-V230 HydrophobicContact CG-CG2 3.54Å; F143-V230 HydrophobicContact CZ-CG2 4.37Å
231	Q	95.5	Very high	95.1	Very high	83 Å²	83	40.5 Å²	40.5	39%	0.388	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	170.2	-177.5	62.3	-179.2	31.3	0	0	111.1	L141 V233	L141-Q231 HydrophobicContact CB-CG 4.35Å; L141-Q231 WeakPolarHBondContact CB-O 3.47Å; L141-Q231 HydrophobicContact CD2-CG 4.06Å; L141-Q231 PolarHBondContact N-O 2.82Å; Q231-V233 HydrophobicContact CG-CG2 4.15Å
232	K	96.7	Very high	95.2	Very high	121 Å²	121	41.3 Å²	41.3	53%	0.526	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	141.8	165.4	-66.6	177.6	180	179.8	0	110.1	T138 V139 Y140	T138-K232 HydrophobicContact CG2-CB 3.9Å; T138-K232 HydrophobicContact CG2-CD 4.43Å; T138-K232 HydrophobicContact CG2-CG 4.49Å; V139-K232 CarbonylContact O-C 3.3Å; V139-K232 VanDerWaalsContact O-CA 3.31Å; V139-K232 WeakPolarHBondContact O-CA 3.49Å; Y140-K232 HydrophobicContact CD1-CG 4.24Å; Y140-K232 HydrophobicContact CE1-CD 4.32Å; Y140-K232 HydrophobicContact CE1-CG 4.28Å; Y140-K232 PolarHBondContact OH-NZ 3.06Å
233	V	97	Very high	95.1	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.012	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	128.3	-179.9	-179.7	0	0	0	0	108.7	T138 V139 L141 Q231 E255 L259	T138-V233 CarbonylContact C-O 3.54Å; T138-V233 WeakPolarHBondContact CA-O 3.41Å; V139-V233 HydrophobicContact CG2-CB 4.19Å; V139-V233 PolarHBondContact N-O 2.7Å; V139-V233 PolarHBondContact O-N 2.76Å; L141-V233 HydrophobicContact CB-CG2 4.04Å; L141-V233 HydrophobicContact CD2-CG2 4.38Å; Q231-V233 HydrophobicContact CG-CG2 4.15Å; V233-E255 HydrophobicContact CG1-CB 4.14Å; V233-E255 HydrophobicContact CG2-CB 4.14Å; V233-L259 HydrophobicContact CG1-CB 4.42Å; V233-L259 HydrophobicContact CG1-CD2 4.12Å
234	S	97.3	Very high	94.9	Very high	18 Å²	18	46.5 Å²	46.5	13%	0.126	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	129.1	179.1	-161.1	0	0	0	0	112.2	K137 T138 A236 D237 S256	K137-S234 CarbonylContact O-C 3.57Å; K137-S234 WeakPolarHBondContact O-CA 3.22Å; K137-S234 PolarHBondContact O-OG 2.93Å; T138-S234 PolarHBondContact OG1-OG 3.16Å; T138-S234 VanDerWaalsContact OG1-OG 3.08Å; S234-A236 PolarHBondContact O-N 3.38Å; S234-A236 WeakPolarHBondContact OG-CB 3.45Å; S234-A236 PolarHBondContact OG-N 3.32Å; S234-D237 PolarHBondContact N-OD2 3.17Å; S234-D237 WeakPolarHBondContact O-CB 3.21Å; S234-D237 VanDerWaalsContact O-CG 3.28Å; S234-D237 PolarHBondContact O-N 3.04Å; S234-S256 WeakPolarHBondContact O-CB 3.46Å; S234-S256 PolarHBondContact O-OG 3.48Å
235	T	96.4	Very high	94.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-23	169.9	61.8	0	0	0	0	111.4	F134 L135 P136 K137 D237 I238 L259 L260 F481	F134-T235 VanDerWaalsContact CE2-O 3.31Å; F134-T235 WeakPolarHBondContact CE2-O 3.43Å; L135-T235 PolarHBondContact O-OG1 2.79Å; P136-T235 WeakPolarHBondContact CA-OG1 3.19Å; K137-T235 PolarHBondContact N-OG1 2.99Å; K137-T235 PolarHBondContact O-N 3.07Å; K137-T235 PolarHBondContact O-OG1 3.04Å; T235-D237 PolarHBondContact O-N 3.37Å; T235-I238 PolarHBondContact O-N 2.52Å; T235-L259 HydrophobicContact CG2-CD2 3.82Å; T235-L260 HydrophobicContact CG2-CD2 3.96Å; T235-L260 HydrophobicContact CG2-CG 4.39Å; T235-F481 HydrophobicContact CG2-CD1 4.31Å; T235-F481 HydrophobicContact CG2-CE1 4.36Å
236	A	96.2	Very high	94.1	Very high	33 Å²	33	59.6 Å²	59.6	27%	0.273	31%	0.305	S	S	.	.	H	α-helix	trans	-60.2	-28.3	176.2	0	0	0	0	0	112.6	P136 S234 I238 N239 H240	P136-A236 HydrophobicContact CB-CB 3.82Å; S234-A236 PolarHBondContact O-N 3.38Å; S234-A236 WeakPolarHBondContact OG-CB 3.45Å; S234-A236 PolarHBondContact OG-N 3.32Å; A236-I238 PolarHBondContact O-N 3.18Å; A236-I238 VanDerWaalsContact O-N 3.17Å; A236-N239 PolarHBondContact O-N 2.93Å; A236-H240 PolarHBondContact O-N 2.82Å
237	D	96.2	Very high	93.7	Very high	72 Å²	72	53.8 Å²	53.8	39%	0.385	28%	0.284	S	S	.	.	H	α-helix	trans	-58.2	-30.8	179	-58.3	-27.2	0	0	0	111.9	S234 T235 F241 P253 S256	S234-D237 PolarHBondContact N-OD2 3.17Å; S234-D237 WeakPolarHBondContact O-CB 3.21Å; S234-D237 VanDerWaalsContact O-CG 3.28Å; S234-D237 PolarHBondContact O-N 3.04Å; T235-D237 PolarHBondContact O-N 3.37Å; D237-F241 VanDerWaalsContact O-CB 3.27Å; D237-F241 WeakPolarHBondContact O-CB 3.34Å; D237-F241 PolarHBondContact O-N 3.34Å; D237-P253 HydrophobicContact CB-CB 3.84Å; D237-S256 PolarHBondContact OD2-OG 2.96Å
238	I	96	Very high	93.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-69.4	-45	176.6	-61.3	173.8	0	0	0	111.1	F134 T235 A236 H240 F241 I242 P253 I257 L260 P306 V310	F134-I238 HydrophobicContact CZ-CB 4.06Å; F134-I238 HydrophobicContact CZ-CD1 4.45Å; F134-I238 HydrophobicContact CZ-CG2 4.1Å; T235-I238 PolarHBondContact O-N 2.52Å; A236-I238 PolarHBondContact O-N 3.18Å; A236-I238 VanDerWaalsContact O-N 3.17Å; I238-H240 VanDerWaalsContact C-N 3.34Å; I238-F241 WeakPolarHBondContact O-CB 3.1Å; I238-F241 PolarHBondContact O-N 2.84Å; I238-I242 PolarHBondContact O-N 2.77Å; I238-P253 HydrophobicContact CG1-CG 4.01Å; I238-I257 HydrophobicContact CD1-CG1 4.19Å; I238-I257 HydrophobicContact CG1-CG1 4.33Å; I238-L260 HydrophobicContact CD1-CD1 3.41Å; I238-L260 VanDerWaalsContact CD1-CD1 3.41Å; I238-L260 HydrophobicContact CD1-CG 4.17Å; I238-P306 HydrophobicContact CG2-CB 4.17Å; I238-P306 HydrophobicContact CG2-CG 4Å; I238-V310 HydrophobicContact CG2-CB 4.4Å; I238-V310 HydrophobicContact CG2-CG1 3.94Å; I238-V310 HydrophobicContact CG2-CG2 3.52Å
239	N	93.8	Very high	93	Very high	65 Å²	65	52.9 Å²	52.9	35%	0.348	28%	0.282	S	S	.	.	H	α-helix	trans	-68.2	-37.8	177.7	-70.2	-33.4	0	0	0	111.1	A236 I242 T243	A236-N239 PolarHBondContact O-N 2.93Å; N239-I242 PolarHBondContact O-N 3.46Å; N239-T243 PolarHBondContact O-N 2.93Å; N239-T243 PolarHBondContact O-OG1 2.87Å
240	H	94.1	Very high	92.5	Very high	124 Å²	124	53.7 Å²	53.7	57%	0.574	29%	0.287	S	S	*	.	H	α-helix	trans	-62.8	-42.3	173.1	-174.4	62.9	0	0	0	111.6	A236 I238 I242 T243 S244	A236-H240 PolarHBondContact O-N 2.82Å; I238-H240 VanDerWaalsContact C-N 3.34Å; H240-I242 PolarHBondContact O-N 2.92Å; H240-T243 PolarHBondContact O-N 2.91Å; H240-T243 PolarHBondContact O-OG1 3.19Å; H240-S244 WeakPolarHBondContact O-CB 3.48Å; H240-S244 PolarHBondContact O-N 3.3Å
241	F	93.2	Very high	92.1	Very high	9 Å²	9	55 Å²	55	4%	0.039	29%	0.293	C	S	.	.	H	α-helix	trans	-58.1	-46.8	177	177.3	-92.6	0	0	0	112.7	D237 I238 T243 S244 A247 T248 M252 P253 P306 H818	D237-F241 VanDerWaalsContact O-CB 3.27Å; D237-F241 WeakPolarHBondContact O-CB 3.34Å; D237-F241 PolarHBondContact O-N 3.34Å; I238-F241 WeakPolarHBondContact O-CB 3.1Å; I238-F241 PolarHBondContact O-N 2.84Å; F241-T243 VanDerWaalsContact C-N 3.31Å; F241-T243 PolarHBondContact O-N 2.87Å; F241-S244 PolarHBondContact O-N 2.77Å; F241-A247 HydrophobicContact CD1-CB 4.41Å; F241-A247 HydrophobicContact CD2-CB 3.43Å; F241-A247 VanDerWaalsContact CD2-CB 3.43Å; F241-A247 HydrophobicContact CE1-CB 4.46Å; F241-A247 HydrophobicContact CE2-CB 3.5Å; F241-A247 VanDerWaalsContact CE2-CB 3.5Å; F241-A247 HydrophobicContact CG-CB 3.92Å; F241-A247 HydrophobicContact CZ-CB 4.03Å; F241-A247 WeakPolarHBondContact O-CB 3.16Å; F241-T248 VanDerWaalsContact CE2-O 3.23Å; F241-T248 WeakPolarHBondContact CE2-O 3.42Å; F241-T248 WeakPolarHBondContact CZ-O 3.13Å; F241-M252 HydrophobicContact CD1-SD 4.29Å; F241-M252 HydrophobicContact CE1-CE 4.25Å; F241-M252 HydrophobicContact CE1-SD 3.68Å; F241-M252 HydrophobicContact CE2-SD 4.25Å; F241-M252 HydrophobicContact CZ-CE 3.98Å; F241-M252 HydrophobicContact CZ-SD 3.66Å; F241-P253 HydrophobicContact CB-CG 3.88Å; F241-P253 VanDerWaalsContact CD2-CD 3.5Å; F241-P253 HydrophobicContact CD2-CG 4.46Å; F241-P253 HydrophobicContact CG-CG 4.18Å; F241-P306 HydrophobicContact CD1-CB 3.74Å; F241-P306 HydrophobicContact CE1-CB 4.04Å; F241-H818 AromaticContact CZ-NE2 3.83Å
242	I	91.2	Very high	91.8	Very high	26 Å²	26	52.9 Å²	52.9	13%	0.133	28%	0.283	C	S	.	.	H	α-helix	trans	-64.8	-38.3	-178.3	-65.6	178.8	0	0	0	111.4	I238 N239 H240 P306 K309 V310	I238-I242 PolarHBondContact O-N 2.77Å; N239-I242 PolarHBondContact O-N 3.46Å; H240-I242 PolarHBondContact O-N 2.92Å; I242-P306 HydrophobicContact CD1-CB 4.11Å; I242-P306 HydrophobicContact CG1-CB 3.94Å; I242-K309 VanDerWaalsContact CD1-C 3.46Å; I242-V310 HydrophobicContact CD1-CB 4.24Å; I242-V310 HydrophobicContact CD1-CG2 3.36Å; I242-V310 VanDerWaalsContact CD1-N 3.35Å
243	T	90.9	Very high	91.7	Very high	105 Å²	105	48 Å²	48	64%	0.644	26%	0.264	S	S	*	.	H	α-helix	trans	-84.9	-20.4	-177.3	54.1	0	0	0	0	113.8	N239 H240 F241	N239-T243 PolarHBondContact O-N 2.93Å; N239-T243 PolarHBondContact O-OG1 2.87Å; H240-T243 PolarHBondContact O-N 2.91Å; H240-T243 PolarHBondContact O-OG1 3.19Å; F241-T243 VanDerWaalsContact C-N 3.31Å; F241-T243 PolarHBondContact O-N 2.87Å
244	S	90.8	Very high	91.5	Very high	18 Å²	18	51.9 Å²	51.9	13%	0.126	28%	0.282	C	S	.	.			trans	-71.8	126.1	-176.7	177	0	0	0	0	112.1	H240 F241 K246 A247 R820	H240-S244 WeakPolarHBondContact O-CB 3.48Å; H240-S244 PolarHBondContact O-N 3.3Å; F241-S244 PolarHBondContact O-N 2.77Å; S244-K246 PolarHBondContact O-N 2.94Å; S244-K246 PolarHBondContact OG-N 3.31Å; S244-A247 PolarHBondContact O-N 3.43Å; S244-R820 PolarHBondContact O-NH1 3.02Å; S244-R820 PolarHBondContact O-NH2 3.07Å
245	P	86.6	Confident	91.3	Very high	115 Å²	115	53.4 Å²	53.4	75%	0.747	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-21.2	173.5	-19.3	30.6	0	0	0	113.6
246	K	85.9	Confident	91.3	Very high	175 Å²	175	53.6 Å²	53.6	76%	0.761	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	0.8	-178	-62	-177.7	-179.8	179.1	0	113.2	S244 N251	S244-K246 PolarHBondContact O-N 2.94Å; S244-K246 PolarHBondContact OG-N 3.31Å; K246-N251 PolarHBondContact O-ND2 3Å; K246-N251 VanDerWaalsContact O-ND2 3.12Å
247	A	87.5	Confident	91.3	Very high	4 Å²	4	52.5 Å²	52.5	3%	0.033	28%	0.278	C	S	.	.			trans	-76.8	135.8	-179.8	0	0	0	0	0	111.3	F241 S244 N251 H818 R820	F241-A247 HydrophobicContact CD1-CB 4.41Å; F241-A247 HydrophobicContact CD2-CB 3.43Å; F241-A247 VanDerWaalsContact CD2-CB 3.43Å; F241-A247 HydrophobicContact CE1-CB 4.46Å; F241-A247 HydrophobicContact CE2-CB 3.5Å; F241-A247 VanDerWaalsContact CE2-CB 3.5Å; F241-A247 HydrophobicContact CG-CB 3.92Å; F241-A247 HydrophobicContact CZ-CB 4.03Å; F241-A247 WeakPolarHBondContact O-CB 3.16Å; S244-A247 PolarHBondContact O-N 3.43Å; A247-N251 WeakPolarHBondContact CA-OD1 3.15Å; A247-H818 PolarHBondContact O-CE1 3.06Å; A247-R820 PolarHBondContact O-NE 3.09Å; A247-R820 PolarHBondContact O-NH2 3.34Å
248	T	88.7	Confident	91.1	Very high	36 Å²	36	54.9 Å²	54.9	22%	0.221	28%	0.281	C	S	.	.			trans	-142	164.1	-176.3	63.6	0	0	0	0	108.4	F241 L250 N251 E821	F241-T248 VanDerWaalsContact CE2-O 3.23Å; F241-T248 WeakPolarHBondContact CE2-O 3.42Å; F241-T248 WeakPolarHBondContact CZ-O 3.13Å; T248-L250 PolarHBondContact O-N 2.72Å; T248-L250 PolarHBondContact OG1-N 3.23Å; T248-N251 PolarHBondContact N-OD1 3.44Å; T248-N251 PolarHBondContact O-N 2.94Å; T248-N251 VanDerWaalsContact O-N 3.13Å; T248-N251 PolarHBondContact O-OD1 3.08Å; T248-N251 PolarHBondContact OG1-OD1 2.59Å; T248-E821 WeakPolarHBondContact CA-OE1 3.33Å; T248-E821 WeakPolarHBondContact CB-OE1 3.2Å
249	S	86.6	Confident	91.1	Very high	10 Å²	10	54.9 Å²	54.9	7%	0.07	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-57.1	-19.8	172.8	-66.2	0	0	0	0	113	E821	S249-E821 WeakPolarHBondContact CB-OE2 3.48Å; S249-E821 PolarHBondContact N-OE1 3.47Å; S249-E821 PolarHBondContact OG-OE2 2.94Å
250	L	85.9	Confident	91.1	Very high	55 Å²	55	51.9 Å²	51.9	29%	0.288	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-77.9	-24.3	179.7	-55	-176.6	0	0	0	114.1	I109 T248 F757 E758	I109-L250 HydrophobicContact CD1-CD1 4.41Å; I109-L250 HydrophobicContact CD1-CD2 3.95Å; I109-L250 HydrophobicContact CD1-CG 3.85Å; I109-L250 HydrophobicContact CG1-CD1 4.4Å; I109-L250 HydrophobicContact CG1-CG 4.37Å; T248-L250 PolarHBondContact O-N 2.72Å; T248-L250 PolarHBondContact OG1-N 3.23Å; L250-F757 HydrophobicContact CD2-CB 4.05Å; L250-E758 HydrophobicContact CD1-CB 4.37Å; L250-E758 HydrophobicContact CD2-CB 3.89Å
251	N	87.9	Confident	91.1	Very high	84 Å²	84	47.8 Å²	47.8	45%	0.449	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-118.9	32.1	-178.9	64.1	-0.1	0	0	0	112.7	K246 A247 T248	K246-N251 PolarHBondContact O-ND2 3Å; K246-N251 VanDerWaalsContact O-ND2 3.12Å; A247-N251 WeakPolarHBondContact CA-OD1 3.15Å; T248-N251 PolarHBondContact N-OD1 3.44Å; T248-N251 PolarHBondContact O-N 2.94Å; T248-N251 VanDerWaalsContact O-N 3.13Å; T248-N251 PolarHBondContact O-OD1 3.08Å; T248-N251 PolarHBondContact OG1-OD1 2.59Å
252	M	89.8	Confident	91	Very high	38 Å²	38	47.7 Å²	47.7	19%	0.187	25%	0.248	C	C	.	.			trans	-57.1	132.4	174.9	-168.4	75.8	68.6	0	0	110.9	F241 Q254 I257 P306	F241-M252 HydrophobicContact CD1-SD 4.29Å; F241-M252 HydrophobicContact CE1-CE 4.25Å; F241-M252 HydrophobicContact CE1-SD 3.68Å; F241-M252 HydrophobicContact CE2-SD 4.25Å; F241-M252 HydrophobicContact CZ-CE 3.98Å; F241-M252 HydrophobicContact CZ-SD 3.66Å; M252-Q254 PolarHBondContact O-N 2.95Å; M252-I257 HydrophobicContact CG-CD1 3.48Å; M252-I257 VanDerWaalsContact CG-CD1 3.48Å; M252-I257 HydrophobicContact SD-CD1 3.88Å; M252-P306 HydrophobicContact SD-CB 4.27Å; M252-P306 HydrophobicContact SD-CG 3.81Å
253	P	93.9	Very high	91	Very high	20 Å²	20	46.4 Å²	46.4	13%	0.13	24%	0.241	C	C	.	.			trans	-74.3	70.3	-179.6	30.8	-36.5	0	0	0	111.6	D237 I238 F241 E255 S256 I257	D237-P253 HydrophobicContact CB-CB 3.84Å; I238-P253 HydrophobicContact CG1-CG 4.01Å; F241-P253 HydrophobicContact CB-CG 3.88Å; F241-P253 VanDerWaalsContact CD2-CD 3.5Å; F241-P253 HydrophobicContact CD2-CG 4.46Å; F241-P253 HydrophobicContact CG-CG 4.18Å; P253-E255 VanDerWaalsContact C-N 3.34Å; P253-E255 PolarHBondContact O-N 2.82Å; P253-S256 PolarHBondContact O-N 3.2Å; P253-I257 WeakPolarHBondContact O-CG1 3.48Å; P253-I257 PolarHBondContact O-N 2.99Å
254	Q	92.1	Very high	91	Very high	82 Å²	82	41.5 Å²	41.5	38%	0.383	21%	0.211	S	C	.	.	H	α-helix	trans	-62.9	-35.6	-165.7	-175.6	58.1	74.2	0	0	113.7	M252 R258	M252-Q254 PolarHBondContact O-N 2.95Å; Q254-R258 WeakPolarHBondContact O-CB 3.44Å; Q254-R258 VanDerWaalsContact O-CG 3.27Å; Q254-R258 WeakPolarHBondContact O-CG 3.43Å; Q254-R258 PolarHBondContact O-N 2.81Å
255	E	93.8	Very high	90.8	Very high	51 Å²	51	41.1 Å²	41.1	24%	0.238	21%	0.207	C	C	.	.	H	α-helix	trans	-71.8	-38.7	179.5	-61	-56.3	140.3	0	0	111.5	V233 P253 R258 L259	V233-E255 HydrophobicContact CG1-CB 4.14Å; V233-E255 HydrophobicContact CG2-CB 4.14Å; P253-E255 VanDerWaalsContact C-N 3.34Å; P253-E255 PolarHBondContact O-N 2.82Å; E255-R258 PolarHBondContact O-N 2.78Å; E255-R258 IonicContact OE1-CZ 3.26Å; E255-R258 IonicContact OE1-NH1 3.18Å; E255-R258 PolarHBondContact OE1-NH1 2.58Å; E255-R258 IonicContact OE2-NH1 3.49Å; E255-R258 PolarHBondContact OE2-NH1 3.24Å; E255-L259 WeakPolarHBondContact O-CB 3.27Å; E255-L259 PolarHBondContact O-N 3.12Å
256	S	96.1	Very high	90.7	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.021	18%	0.175	C	C	.	.	H	α-helix	trans	-66.5	-37.9	174.5	-46.9	0	0	0	0	111.7	S234 D237 P253 L259 L260	S234-S256 WeakPolarHBondContact O-CB 3.46Å; S234-S256 PolarHBondContact O-OG 3.48Å; D237-S256 PolarHBondContact OD2-OG 2.96Å; P253-S256 PolarHBondContact O-N 3.2Å; S256-L259 WeakPolarHBondContact O-CB 3.38Å; S256-L259 PolarHBondContact O-N 2.78Å; S256-L260 PolarHBondContact O-N 3.33Å
257	I	95.2	Very high	90.8	Very high	10 Å²	10	28.2 Å²	28.2	5%	0.051	14%	0.141	C	C	.	.	H	α-helix	trans	-63.4	-46.8	173	-66.2	167.5	0	0	0	110.5	I238 M252 P253 L259 L260 D261 V304 P306	I238-I257 HydrophobicContact CD1-CG1 4.19Å; I238-I257 HydrophobicContact CG1-CG1 4.33Å; M252-I257 HydrophobicContact CG-CD1 3.48Å; M252-I257 VanDerWaalsContact CG-CD1 3.48Å; M252-I257 HydrophobicContact SD-CD1 3.88Å; P253-I257 WeakPolarHBondContact O-CG1 3.48Å; P253-I257 PolarHBondContact O-N 2.99Å; I257-L259 VanDerWaalsContact C-N 3.31Å; I257-L259 PolarHBondContact O-N 3.28Å; I257-L260 PolarHBondContact O-N 3.09Å; I257-D261 PolarHBondContact O-N 3.07Å; I257-V304 HydrophobicContact CG2-CB 4.27Å; I257-P306 HydrophobicContact CD1-CG 3.66Å; I257-P306 HydrophobicContact CG1-CG 4.02Å
258	R	93.2	Very high	90.7	Very high	122 Å²	122	28.2 Å²	28.2	46%	0.46	14%	0.141	S	C	.	.	H	α-helix	trans	-60.8	-39.3	177.9	-77	173.6	-173.6	168.1	10.6	112.4	Q254 E255 D261 C262	Q254-R258 WeakPolarHBondContact O-CB 3.44Å; Q254-R258 VanDerWaalsContact O-CG 3.27Å; Q254-R258 WeakPolarHBondContact O-CG 3.43Å; Q254-R258 PolarHBondContact O-N 2.81Å; E255-R258 PolarHBondContact O-N 2.78Å; E255-R258 IonicContact OE1-CZ 3.26Å; E255-R258 IonicContact OE1-NH1 3.18Å; E255-R258 PolarHBondContact OE1-NH1 2.58Å; E255-R258 IonicContact OE2-NH1 3.49Å; E255-R258 PolarHBondContact OE2-NH1 3.24Å; R258-D261 PolarHBondContact O-N 2.99Å; R258-C262 WeakPolarHBondContact O-CB 3.18Å; R258-C262 PolarHBondContact O-N 3.24Å
259	L	95	Very high	90.3	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-57.2	-52.7	173.8	169.3	61.8	0	0	0	110.7	V139 I185 Y193 V233 T235 E255 S256 I257 C262 I263	V139-L259 HydrophobicContact CG2-CD1 4.08Å; V139-L259 HydrophobicContact CG2-CD2 3.46Å; V139-L259 VanDerWaalsContact CG2-CD2 3.46Å; V139-L259 HydrophobicContact CG2-CG 4.41Å; I185-L259 HydrophobicContact CD1-CD1 3.9Å; Y193-L259 HydrophobicContact CD1-CB 4.44Å; Y193-L259 HydrophobicContact CD1-CD1 3.7Å; Y193-L259 HydrophobicContact CD2-CD1 4.03Å; Y193-L259 HydrophobicContact CE1-CB 4.11Å; Y193-L259 HydrophobicContact CE1-CD1 4.17Å; Y193-L259 HydrophobicContact CG-CD1 3.6Å; V233-L259 HydrophobicContact CG1-CB 4.42Å; V233-L259 HydrophobicContact CG1-CD2 4.12Å; T235-L259 HydrophobicContact CG2-CD2 3.82Å; E255-L259 WeakPolarHBondContact O-CB 3.27Å; E255-L259 PolarHBondContact O-N 3.12Å; S256-L259 WeakPolarHBondContact O-CB 3.38Å; S256-L259 PolarHBondContact O-N 2.78Å; I257-L259 VanDerWaalsContact C-N 3.31Å; I257-L259 PolarHBondContact O-N 3.28Å; L259-C262 WeakPolarHBondContact O-CB 3.37Å; L259-C262 PolarHBondContact O-N 3.1Å; L259-I263 HydrophobicContact CD1-CD1 3.81Å; L259-I263 HydrophobicContact CD1-CG1 4.21Å; L259-I263 HydrophobicContact CG-CD1 3.96Å; L259-I263 VanDerWaalsContact O-CG1 3.31Å; L259-I263 WeakPolarHBondContact O-CG1 3.49Å; L259-I263 PolarHBondContact O-N 2.91Å
260	L	94.9	Very high	89.9	Confident	2 Å²	2	36 Å²	36	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-65	-41.4	179.6	-68.5	-177.2	0	0	0	112.6	L132 F134 T235 I238 S256 I257 C262 I263 L264 V304 L483	L132-L260 HydrophobicContact CD2-CD1 4.44Å; F134-L260 HydrophobicContact CD1-CD1 3.92Å; F134-L260 HydrophobicContact CD2-CD1 4.49Å; F134-L260 HydrophobicContact CE1-CD1 3.88Å; F134-L260 HydrophobicContact CE2-CD1 4.44Å; F134-L260 HydrophobicContact CG-CD1 4.25Å; F134-L260 HydrophobicContact CG-CD2 4.43Å; F134-L260 HydrophobicContact CZ-CD1 4.14Å; T235-L260 HydrophobicContact CG2-CD2 3.96Å; T235-L260 HydrophobicContact CG2-CG 4.39Å; I238-L260 HydrophobicContact CD1-CD1 3.41Å; I238-L260 VanDerWaalsContact CD1-CD1 3.41Å; I238-L260 HydrophobicContact CD1-CG 4.17Å; S256-L260 PolarHBondContact O-N 3.33Å; I257-L260 PolarHBondContact O-N 3.09Å; L260-C262 PolarHBondContact O-N 3.18Å; L260-I263 HydrophobicContact CD2-CD1 4.19Å; L260-I263 PolarHBondContact O-N 2.83Å; L260-L264 WeakPolarHBondContact O-CG 3.47Å; L260-L264 PolarHBondContact O-N 3Å; L260-V304 HydrophobicContact CB-CB 4.48Å; L260-V304 HydrophobicContact CB-CG2 3.77Å; L260-V304 HydrophobicContact CD1-CG1 4.13Å; L260-L483 HydrophobicContact CD2-CD2 4.27Å
261	D	92.7	Very high	89.8	Confident	38 Å²	38	36.4 Å²	36.4	20%	0.203	18%	0.183	C	C	.	.	H	α-helix	trans	-56.9	-42	173.6	-80.6	-22.6	0	0	0	111.5	I257 R258 K265 S303 V304	I257-D261 PolarHBondContact O-N 3.07Å; R258-D261 PolarHBondContact O-N 2.99Å; D261-K265 WeakPolarHBondContact O-CB 3.45Å; D261-K265 PolarHBondContact O-N 2.81Å; D261-K265 VanDerWaalsContact O-N 3.09Å; D261-S303 VanDerWaalsContact OD1-CA 3.27Å; D261-S303 WeakPolarHBondContact OD1-CA 3.46Å; D261-V304 PolarHBondContact OD1-N 2.92Å
262	C	91.2	Very high	89.8	Confident	7 Å²	7	33 Å²	33	5%	0.047	17%	0.165	C	C	.	.	H	α-helix	trans	-66.8	-39.8	177.6	-170.5	0	0	0	0	112.3	I185 Y186 D187 R258 L259 L260 K265 T266	I185-C262 HydrophobicContact CG2-CB 3.98Å; I185-C262 WeakPolarHBondContact CG2-SG 3.32Å; Y186-C262 PolarHBondContact O-SG 3.16Å; Y186-C262 VanDerWaalsContact O-SG 3.41Å; D187-C262 WeakPolarHBondContact CA-SG 3.37Å; D187-C262 PolarHBondContact N-SG 3.09Å; D187-C262 VanDerWaalsContact N-SG 3.43Å; R258-C262 WeakPolarHBondContact O-CB 3.18Å; R258-C262 PolarHBondContact O-N 3.24Å; L259-C262 WeakPolarHBondContact O-CB 3.37Å; L259-C262 PolarHBondContact O-N 3.1Å; L260-C262 PolarHBondContact O-N 3.18Å; C262-K265 PolarHBondContact O-N 3.17Å; C262-T266 WeakPolarHBondContact O-CB 3.46Å; C262-T266 PolarHBondContact O-N 2.95Å; C262-T266 PolarHBondContact O-OG1 3.25Å
263	I	91.7	Very high	89.7	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.8	-50.2	175.5	-66.1	162.4	0	0	0	110.1	I185 L259 L260 K265 T266 V267 L477 F481 L483	I185-I263 HydrophobicContact CD1-CD1 3.77Å; I185-I263 HydrophobicContact CD1-CG1 3.47Å; I185-I263 VanDerWaalsContact CD1-CG1 3.47Å; I185-I263 HydrophobicContact CG1-CG1 3.92Å; I185-I263 HydrophobicContact CG2-CG1 4Å; L259-I263 HydrophobicContact CD1-CD1 3.81Å; L259-I263 HydrophobicContact CD1-CG1 4.21Å; L259-I263 HydrophobicContact CG-CD1 3.96Å; L259-I263 VanDerWaalsContact O-CG1 3.31Å; L259-I263 WeakPolarHBondContact O-CG1 3.49Å; L259-I263 PolarHBondContact O-N 2.91Å; L260-I263 HydrophobicContact CD2-CD1 4.19Å; L260-I263 PolarHBondContact O-N 2.83Å; I263-K265 PolarHBondContact O-N 2.88Å; I263-T266 WeakPolarHBondContact O-CA 3.39Å; I263-T266 WeakPolarHBondContact O-CB 3.38Å; I263-T266 PolarHBondContact O-N 2.75Å; I263-V267 HydrophobicContact CG2-CG1 4.14Å; I263-V267 WeakPolarHBondContact O-CG1 3.5Å; I263-V267 PolarHBondContact O-N 2.79Å; I263-L477 HydrophobicContact CG2-CB 4.13Å; I263-L477 HydrophobicContact CG2-CD1 4.28Å; I263-F481 HydrophobicContact CD1-CD1 3.8Å; I263-F481 HydrophobicContact CD1-CD2 4.05Å; I263-F481 HydrophobicContact CD1-CE1 3.76Å; I263-F481 HydrophobicContact CD1-CE2 4.04Å; I263-F481 HydrophobicContact CD1-CG 3.94Å; I263-F481 HydrophobicContact CD1-CZ 3.88Å; I263-L483 HydrophobicContact CG2-CD1 3.44Å; I263-L483 VanDerWaalsContact CG2-CD1 3.44Å
264	L	90.8	Very high	89.2	Confident	1 Å²	1	34 Å²	34	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-57	-38.8	179.7	-70.2	175.1	0	0	0	112.3	L260 V267 S268 V304 V312 M471	L260-L264 WeakPolarHBondContact O-CG 3.47Å; L260-L264 PolarHBondContact O-N 3Å; L264-V267 VanDerWaalsContact O-CG2 3.24Å; L264-V267 WeakPolarHBondContact O-CG2 3.28Å; L264-S268 WeakPolarHBondContact O-CB 3.43Å; L264-S268 PolarHBondContact O-N 2.87Å; L264-S268 PolarHBondContact O-OG 2.98Å; L264-V304 HydrophobicContact CD1-CG2 3.67Å; L264-V312 HydrophobicContact CD1-CB 4.38Å; L264-V312 HydrophobicContact CD1-CG2 3.68Å; L264-M471 HydrophobicContact CD2-SD 3.94Å
265	K	86.7	Confident	88.5	Confident	10 Å²	10	31.9 Å²	31.9	4%	0.043	17%	0.165	C	C	.	.	H	α-helix	trans	-65.9	-45.5	172.7	-179.1	-170.2	-179.5	-176.5	0	112.1	D187 D261 C262 I263 S268 K269 S274 G276 R277 L280	D187-K265 PolarHBondContact O-NZ 2.97Å; D261-K265 WeakPolarHBondContact O-CB 3.45Å; D261-K265 PolarHBondContact O-N 2.81Å; D261-K265 VanDerWaalsContact O-N 3.09Å; C262-K265 PolarHBondContact O-N 3.17Å; I263-K265 PolarHBondContact O-N 2.88Å; K265-S268 PolarHBondContact O-N 2.92Å; K265-K269 PolarHBondContact O-N 3.18Å; K265-S274 WeakPolarHBondContact CE-OG 3.42Å; K265-G276 PolarHBondContact NZ-O 3.39Å; K265-R277 WeakPolarHBondContact CD-O 3.45Å; K265-R277 WeakPolarHBondContact CE-O 3.18Å; K265-R277 PolarHBondContact NZ-O 2.88Å; K265-L280 HydrophobicContact CG-CD2 4.1Å
266	T	86	Confident	87.4	Confident	13 Å²	13	32.2 Å²	32.2	8%	0.08	18%	0.182	C	C	.	.	H	α-helix	trans	-62.8	-47.2	-177.5	-59.2	0	0	0	0	111.1	C262 I263 S268 K269 L477	C262-T266 WeakPolarHBondContact O-CB 3.46Å; C262-T266 PolarHBondContact O-N 2.95Å; C262-T266 PolarHBondContact O-OG1 3.25Å; I263-T266 WeakPolarHBondContact O-CA 3.39Å; I263-T266 WeakPolarHBondContact O-CB 3.38Å; I263-T266 PolarHBondContact O-N 2.75Å; T266-S268 PolarHBondContact O-N 3.33Å; T266-S268 VanDerWaalsContact O-N 3.15Å; T266-K269 WeakPolarHBondContact O-CB 3.14Å; T266-K269 PolarHBondContact O-N 3.36Å; T266-K269 VanDerWaalsContact O-N 3.14Å; T266-L477 HydrophobicContact CG2-CD1 3.81Å
267	V	86.5	Confident	86.1	Confident	7 Å²	7	40.8 Å²	40.8	4%	0.042	21%	0.214	C	C	.	.	H	α-helix	trans	-63.5	-22.2	177.5	-55.3	0	0	0	0	113	I263 L264 M471 L472 H475 L477 I478	I263-V267 HydrophobicContact CG2-CG1 4.14Å; I263-V267 WeakPolarHBondContact O-CG1 3.5Å; I263-V267 PolarHBondContact O-N 2.79Å; L264-V267 VanDerWaalsContact O-CG2 3.24Å; L264-V267 WeakPolarHBondContact O-CG2 3.28Å; V267-M471 HydrophobicContact CG2-CG 4.46Å; V267-L472 HydrophobicContact CG2-CD2 4.09Å; V267-H475 HydrophobicContact CB-CB 3.81Å; V267-H475 HydrophobicContact CG1-CB 3.76Å; V267-L477 HydrophobicContact CG1-CB 3.96Å; V267-L477 HydrophobicContact CG1-CD1 4.42Å; V267-I478 HydrophobicContact CB-CD1 4.48Å; V267-I478 HydrophobicContact CB-CG1 4.29Å; V267-I478 HydrophobicContact CG1-CG1 3.92Å
268	S	86.4	Confident	84.9	Confident	3 Å²	3	43.6 Å²	43.6	2%	0.021	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-10.4	179	-57.8	0	0	0	0	114.6	L264 K265 T266 Q270 A271 F272 L280 M471	L264-S268 WeakPolarHBondContact O-CB 3.43Å; L264-S268 PolarHBondContact O-N 2.87Å; L264-S268 PolarHBondContact O-OG 2.98Å; K265-S268 PolarHBondContact O-N 2.92Å; T266-S268 PolarHBondContact O-N 3.33Å; T266-S268 VanDerWaalsContact O-N 3.15Å; S268-Q270 PolarHBondContact O-N 3.37Å; S268-Q270 VanDerWaalsContact O-N 3.14Å; S268-A271 PolarHBondContact O-N 2.78Å; S268-F272 WeakPolarHBondContact O-CD2 3.06Å; S268-F272 PolarHBondContact O-N 3.05Å; S268-L280 VanDerWaalsContact CB-CD1 3.5Å; S268-M471 WeakPolarHBondContact OG-CG 3.34Å
269	K	79.8	Confident	84.7	Confident	75 Å²	75	38.3 Å²	38.3	33%	0.326	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-21.8	-173.7	-74	-179	-177.4	174	0	114	K265 T266 A271	K265-K269 PolarHBondContact O-N 3.18Å; T266-K269 WeakPolarHBondContact O-CB 3.14Å; T266-K269 PolarHBondContact O-N 3.36Å; T266-K269 VanDerWaalsContact O-N 3.14Å; K269-A271 VanDerWaalsContact C-N 3.33Å; K269-A271 PolarHBondContact O-N 3.41Å
270	Q	78.1	Confident	84.5	Confident	136 Å²	136	38.4 Å²	38.4	64%	0.636	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-34.5	178.6	-68.6	178.6	-4	0	0	112.7	S268 S474	S268-Q270 PolarHBondContact O-N 3.37Å; S268-Q270 VanDerWaalsContact O-N 3.14Å; Q270-S474 PolarHBondContact NE2-O 3Å; Q270-S474 PolarHBondContact OE1-O 3.29Å
271	A	83	Confident	84.4	Confident	62 Å²	62	38.5 Å²	38.5	51%	0.512	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-14.3	-176.4	0	0	0	0	0	113.5	S268 K269	S268-A271 PolarHBondContact O-N 2.78Å; K269-A271 VanDerWaalsContact C-N 3.33Å; K269-A271 PolarHBondContact O-N 3.41Å
272	F	88.9	Confident	84.4	Confident	13 Å²	13	39.9 Å²	39.9	6%	0.057	22%	0.221	C	C	.	.	S	Bend	trans	-138.4	143.4	-170.8	-59.2	-81.1	0	0	0	112.7	S268 S274 L280 F281 Y282 F300 F467	S268-F272 WeakPolarHBondContact O-CD2 3.06Å; S268-F272 PolarHBondContact O-N 3.05Å; F272-S274 PolarHBondContact O-N 3.26Å; F272-L280 HydrophobicContact CB-CB 3.87Å; F272-L280 HydrophobicContact CB-CD2 4.15Å; F272-L280 HydrophobicContact CG-CB 4.25Å; F272-F281 WeakPolarHBondContact CA-O 3.46Å; F272-Y282 HydrophobicContact CD1-CD1 4.19Å; F272-Y282 HydrophobicContact CD1-CE1 4.34Å; F272-Y282 AromaticContact CE1-CD1 3.77Å; F272-Y282 HydrophobicContact CE1-CD1 3.77Å; F272-Y282 AromaticContact CE1-CE1 3.47Å; F272-Y282 HydrophobicContact CE1-CE1 3.47Å; F272-Y282 VanDerWaalsContact CE1-CE1 3.47Å; F272-Y282 HydrophobicContact CE1-CE2 4.49Å; F272-Y282 HydrophobicContact CE1-CG 4.41Å; F272-Y282 AromaticContact CE1-CZ 3.9Å; F272-Y282 HydrophobicContact CZ-CE1 4.22Å; F272-F300 HydrophobicContact CD1-CD2 4.4Å; F272-F300 HydrophobicContact CD1-CE2 4.5Å; F272-F300 AromaticContact CE1-CD2 3.93Å; F272-F300 HydrophobicContact CE1-CD2 3.93Å; F272-F300 AromaticContact CE1-CE2 3.69Å; F272-F300 HydrophobicContact CE1-CE2 3.69Å; F272-F300 HydrophobicContact CZ-CD2 4.37Å; F272-F300 HydrophobicContact CZ-CE2 4.17Å; F272-F467 HydrophobicContact CD2-CE2 4.04Å; F272-F467 HydrophobicContact CE1-CD2 4.24Å; F272-F467 HydrophobicContact CE1-CE2 4.46Å; F272-F467 AromaticContact CE2-CD2 3.66Å; F272-F467 HydrophobicContact CE2-CD2 3.66Å; F272-F467 AromaticContact CE2-CE2 3.57Å; F272-F467 HydrophobicContact CE2-CE2 3.57Å; F272-F467 AromaticContact CZ-CD2 3.5Å; F272-F467 HydrophobicContact CZ-CD2 3.5Å; F272-F467 AromaticContact CZ-CE2 3.83Å; F272-F467 HydrophobicContact CZ-CE2 3.83Å
273	V	87.8	Confident	84.4	Confident	43 Å²	43	44.5 Å²	44.5	26%	0.261	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	121.8	172.1	-174.6	0	0	0	0	109.1	L275 F281 D283 F435	V273-L275 HydrophobicContact CG1-CD1 4.49Å; V273-L275 HydrophobicContact CG1-CD2 3.88Å; V273-L275 HydrophobicContact CG1-CG 3.99Å; V273-F281 PolarHBondContact N-O 2.78Å; V273-F281 PolarHBondContact O-N 3.37Å; V273-D283 HydrophobicContact CG2-CB 4.02Å; V273-F435 HydrophobicContact CB-CZ 4.31Å; V273-F435 HydrophobicContact CG1-CD2 4.33Å; V273-F435 HydrophobicContact CG1-CE2 3.79Å; V273-F435 HydrophobicContact CG1-CZ 3.98Å; V273-F435 HydrophobicContact CG2-CE2 4.43Å; V273-F435 HydrophobicContact CG2-CZ 4.09Å
274	S	83.9	Confident	84.5	Confident	37 Å²	37	54.7 Å²	54.7	26%	0.259	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	117.3	177.8	-164.8	0	0	0	0	111.8	K265 F272	K265-S274 WeakPolarHBondContact CE-OG 3.42Å; F272-S274 PolarHBondContact O-N 3.26Å
275	L	77.9	Confident	84.7	Confident	36 Å²	36	57.3 Å²	57.3	19%	0.188	30%	0.3	C	S	.	.			trans	-121.3	99	-177.4	-60.3	173.8	0	0	0	110.6	V273 A279 F281 F321 F435	V273-L275 HydrophobicContact CG1-CD1 4.49Å; V273-L275 HydrophobicContact CG1-CD2 3.88Å; V273-L275 HydrophobicContact CG1-CG 3.99Å; L275-A279 PolarHBondContact N-O 2.94Å; L275-F281 HydrophobicContact CB-CD2 3.89Å; L275-F281 HydrophobicContact CB-CE2 3.93Å; L275-F281 HydrophobicContact CD1-CD2 3.74Å; L275-F281 HydrophobicContact CD1-CE2 4.27Å; L275-F281 HydrophobicContact CD1-CG 4.26Å; L275-F281 HydrophobicContact CG-CD2 4.03Å; L275-F321 HydrophobicContact CD1-CE1 3.88Å; L275-F321 HydrophobicContact CD1-CE2 3.88Å; L275-F321 HydrophobicContact CD1-CZ 3.24Å; L275-F435 HydrophobicContact CD1-CB 3.96Å; L275-F435 HydrophobicContact CD1-CD1 3.5Å; L275-F435 VanDerWaalsContact CD1-CD1 3.5Å; L275-F435 HydrophobicContact CD1-CD2 4.44Å; L275-F435 HydrophobicContact CD1-CE1 4.1Å; L275-F435 HydrophobicContact CD1-CG 3.69Å; L275-F435 HydrophobicContact CD2-CB 3.94Å; L275-F435 HydrophobicContact CD2-CD2 4.03Å; L275-F435 HydrophobicContact CD2-CG 3.89Å; L275-F435 HydrophobicContact CG-CG 4.45Å
276	G	70.4	Confident	85.1	Confident	58 Å²	58	60.3 Å²	60.3	60%	0.598	32%	0.319	S	S	*	.	S	Bend	trans	89.2	-157.7	-177.9	0	0	0	0	0	112.8	K265	K265-G276 PolarHBondContact NZ-O 3.39Å
277	R	68.4	Low	85.6	Confident	183 Å²	183	63.2 Å²	63.2	69%	0.691	33%	0.331	S	S	*	.	S	Bend	trans	-77.3	-42.4	-171.1	-74.2	-174.7	176.1	170	-2.3	114.1	K265	K265-R277 WeakPolarHBondContact CD-O 3.45Å; K265-R277 WeakPolarHBondContact CE-O 3.18Å; K265-R277 PolarHBondContact NZ-O 2.88Å
278	S	70	Confident	86.1	Confident	70 Å²	70	66.3 Å²	66.3	49%	0.49	35%	0.35	S	S	.	.	S	Bend	trans	-124.2	-1.3	-163.6	56.1	0	0	0	0	117.2
279	A	88.4	Confident	86.5	Confident	11 Å²	11	66.6 Å²	66.6	9%	0.091	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	141.6	-172.6	0	0	0	0	0	113.3	L275 F281 F300 I301 T317	L275-A279 PolarHBondContact N-O 2.94Å; A279-F281 HydrophobicContact CB-CD2 4.39Å; A279-F281 HydrophobicContact CB-CE2 3.48Å; A279-F281 VanDerWaalsContact CB-CE2 3.48Å; A279-F281 HydrophobicContact CB-CZ 3.78Å; A279-F300 WeakPolarHBondContact CA-O 3.43Å; A279-I301 HydrophobicContact CB-CG1 4.25Å; A279-T317 HydrophobicContact CB-CG2 4.33Å
280	L	91.3	Very high	87.2	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.005	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	132.7	178.6	-66.1	163.3	0	0	0	108.1	K265 S268 F272 G299 F300 T302 F467	K265-L280 HydrophobicContact CG-CD2 4.1Å; S268-L280 VanDerWaalsContact CB-CD1 3.5Å; F272-L280 HydrophobicContact CB-CB 3.87Å; F272-L280 HydrophobicContact CB-CD2 4.15Å; F272-L280 HydrophobicContact CG-CB 4.25Å; L280-G299 CarbonylContact O-C 3.47Å; L280-G299 WeakPolarHBondContact O-CA 3.14Å; L280-F300 PolarHBondContact N-O 2.88Å; L280-F300 PolarHBondContact O-N 2.9Å; L280-T302 HydrophobicContact CD1-CG2 4.44Å; L280-F467 HydrophobicContact CD1-CE2 4.25Å; L280-F467 HydrophobicContact CD1-CZ 3.87Å
281	F	92.9	Very high	88	Confident	4 Å²	4	62.3 Å²	62.3	2%	0.018	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	147	-175.5	-65.9	-88	0	0	0	111.6	F272 V273 L275 A279 H297 T317 K319	F272-F281 WeakPolarHBondContact CA-O 3.46Å; V273-F281 PolarHBondContact N-O 2.78Å; V273-F281 PolarHBondContact O-N 3.37Å; L275-F281 HydrophobicContact CB-CD2 3.89Å; L275-F281 HydrophobicContact CB-CE2 3.93Å; L275-F281 HydrophobicContact CD1-CD2 3.74Å; L275-F281 HydrophobicContact CD1-CE2 4.27Å; L275-F281 HydrophobicContact CD1-CG 4.26Å; L275-F281 HydrophobicContact CG-CD2 4.03Å; A279-F281 HydrophobicContact CB-CD2 4.39Å; A279-F281 HydrophobicContact CB-CE2 3.48Å; A279-F281 VanDerWaalsContact CB-CE2 3.48Å; A279-F281 HydrophobicContact CB-CZ 3.78Å; F281-H297 HydrophobicContact CD1-CB 4.28Å; F281-T317 HydrophobicContact CE1-CG2 3.89Å; F281-T317 HydrophobicContact CZ-CG2 4.02Å; F281-K319 HydrophobicContact CD1-CB 4.45Å; F281-K319 HydrophobicContact CE1-CB 3.52Å; F281-K319 HydrophobicContact CZ-CB 3.74Å; F281-K319 HydrophobicContact CZ-CD 4Å
282	Y	92.6	Very high	88.5	Confident	68 Å²	68	62.1 Å²	62.1	27%	0.267	33%	0.327	S	S	.	.			trans	-64.4	138.7	161.9	-67.5	-71	0	0	0	109.4	F272 R284 H297 K298 F300 E463	F272-Y282 HydrophobicContact CD1-CD1 4.19Å; F272-Y282 HydrophobicContact CD1-CE1 4.34Å; F272-Y282 AromaticContact CE1-CD1 3.77Å; F272-Y282 HydrophobicContact CE1-CD1 3.77Å; F272-Y282 AromaticContact CE1-CE1 3.47Å; F272-Y282 HydrophobicContact CE1-CE1 3.47Å; F272-Y282 VanDerWaalsContact CE1-CE1 3.47Å; F272-Y282 HydrophobicContact CE1-CE2 4.49Å; F272-Y282 HydrophobicContact CE1-CG 4.41Å; F272-Y282 AromaticContact CE1-CZ 3.9Å; F272-Y282 HydrophobicContact CZ-CE1 4.22Å; Y282-R284 VanDerWaalsContact C-N 3.32Å; Y282-H297 PolarHBondContact O-ND1 2.82Å; Y282-K298 HydrophobicContact CD2-CB 4.09Å; Y282-K298 HydrophobicContact CD2-CD 4.3Å; Y282-K298 HydrophobicContact CD2-CG 4.31Å; Y282-K298 WeakPolarHBondContact CD2-O 3.42Å; Y282-K298 HydrophobicContact CE2-CD 3.98Å; Y282-K298 HydrophobicContact CE2-CG 4.35Å; Y282-K298 PolarHBondContact N-O 2.87Å; Y282-F300 HydrophobicContact CD2-CE2 4.3Å; Y282-F300 AromaticContact CE2-CE2 3.5Å; Y282-F300 HydrophobicContact CE2-CE2 3.5Å; Y282-F300 AromaticContact CE2-CZ 3.74Å; Y282-F300 HydrophobicContact CE2-CZ 3.74Å; Y282-F300 AromaticContact CZ-CE2 3.66Å; Y282-F300 AromaticContact CZ-CZ 3.95Å; Y282-E463 WeakPolarHBondContact CE2-OE1 3.11Å; Y282-E463 PolarHBondContact OH-OE1 2.91Å
283	D	90.8	Very high	88.9	Confident	104 Å²	104	61.7 Å²	61.7	56%	0.556	33%	0.325	S	S	*	.	S	Bend	trans	-64.2	-40	176	-175.3	45.7	0	0	0	111.3	V273 H297	V273-D283 HydrophobicContact CG2-CB 4.02Å; D283-H297 PolarHBondContact O-CE1 3.17Å; D283-H297 PolarHBondContact O-ND1 3.13Å
284	R	93.6	Very high	89.4	Confident	214 Å²	214	59.6 Å²	59.6	81%	0.808	31%	0.313	S	S	*	.	S	Bend	trans	-77.4	136.9	177.2	-64.7	-175.8	-178.2	179.3	0.3	112.1	Y282	Y282-R284 VanDerWaalsContact C-N 3.32Å
285	P	95.3	Very high	90	Very high	55 Å²	55	58.4 Å²	58.4	36%	0.357	30%	0.304	S	S	.	.			trans	-70.1	144.5	175.3	29.4	-34.3	0	0	0	111.6	V288 T295 I296	P285-V288 HydrophobicContact CG-CG2 4.09Å; P285-T295 HydrophobicContact CB-CG2 4.36Å; P285-T295 HydrophobicContact CG-CG2 4.48Å; P285-I296 CarbonylContact C-O 3.55Å; P285-I296 VanDerWaalsContact CA-O 3.32Å; P285-I296 WeakPolarHBondContact CA-O 2.99Å; P285-I296 WeakPolarHBondContact CB-O 3.39Å
286	V	95.3	Very high	90.9	Very high	73 Å²	73	56.7 Å²	56.7	44%	0.442	30%	0.295	S	S	.	.	S	Bend	trans	-80.5	-22.7	169.5	65.4	0	0	0	0	111.7	I296 K298 C452	V286-I296 HydrophobicContact CG1-CB 4.27Å; V286-I296 HydrophobicContact CG1-CG2 3.93Å; V286-I296 VanDerWaalsContact CG1-O 3.31Å; V286-I296 WeakPolarHBondContact CG1-O 3.3Å; V286-I296 PolarHBondContact N-O 3.45Å; V286-K298 HydrophobicContact CB-CB 4.32Å; V286-K298 HydrophobicContact CG1-CB 4.27Å; V286-C452 HydrophobicContact CG1-CB 4.42Å
287	K	96.2	Very high	92.1	Very high	74 Å²	74	54.5 Å²	54.5	32%	0.322	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	138.4	177.5	-174	171.3	-175.1	174	0	111.1	V289 T295 I296 E448	K287-V289 HydrophobicContact CD-CG2 4.27Å; K287-V289 HydrophobicContact CG-CG2 4.17Å; K287-T295 CarbonylContact O-C 3.5Å; K287-T295 WeakPolarHBondContact O-CA 3.13Å; K287-I296 HydrophobicContact CB-CB 4.34Å; K287-I296 PolarHBondContact N-O 3.45Å; K287-I296 PolarHBondContact O-N 2.61Å; K287-E448 IonicContact NZ-OE2 3.57Å; K287-E448 PolarHBondContact NZ-OE2 3.22Å
288	V	96.2	Very high	93.4	Very high	72 Å²	72	47.8 Å²	47.8	44%	0.436	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	134.4	169.2	-177.6	0	0	0	0	108.3	P285 T295	P285-V288 HydrophobicContact CG-CG2 4.09Å; V288-T295 HydrophobicContact CB-CG2 4.5Å; V288-T295 HydrophobicContact CG1-CG2 4.27Å; V288-T295 HydrophobicContact CG2-CG2 4.1Å
289	V	96.1	Very high	94.6	Very high	10 Å²	10	44.4 Å²	44.4	6%	0.061	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	75.2	177.1	-170.7	0	0	0	0	107.6	K287 D291 K292 L293 F294 E448	K287-V289 HydrophobicContact CD-CG2 4.27Å; K287-V289 HydrophobicContact CG-CG2 4.17Å; V289-D291 VanDerWaalsContact CG1-OD1 3.29Å; V289-D291 WeakPolarHBondContact CG1-OD1 3.43Å; V289-D291 PolarHBondContact O-N 2.78Å; V289-K292 HydrophobicContact CG1-CB 3.99Å; V289-K292 HydrophobicContact CG1-CD 4.18Å; V289-K292 HydrophobicContact CG1-CG 4.13Å; V289-K292 CarbonylContact O-C 3.55Å; V289-K292 PolarHBondContact O-N 3.48Å; V289-K292 VanDerWaalsContact O-N 3.13Å; V289-L293 PolarHBondContact O-N 2.98Å; V289-F294 WeakPolarHBondContact CA-O 3.19Å; V289-F294 HydrophobicContact CB-CD1 4.34Å; V289-F294 HydrophobicContact CB-CD2 4.17Å; V289-F294 HydrophobicContact CB-CE1 4.06Å; V289-F294 HydrophobicContact CB-CE2 3.84Å; V289-F294 HydrophobicContact CB-CG 4.41Å; V289-F294 HydrophobicContact CB-CZ 3.79Å; V289-F294 WeakPolarHBondContact CB-O 3.23Å; V289-F294 HydrophobicContact CG1-CE1 3.95Å; V289-F294 HydrophobicContact CG1-CE2 4.4Å; V289-F294 HydrophobicContact CG1-CZ 3.84Å; V289-F294 HydrophobicContact CG2-CD2 4.16Å; V289-F294 HydrophobicContact CG2-CE2 3.55Å; V289-F294 HydrophobicContact CG2-CZ 3.78Å; V289-F294 PolarHBondContact N-O 3.07Å; V289-F294 PolarHBondContact O-N 2.89Å; V289-E448 HydrophobicContact CG2-CG 4.3Å
290	A	94.4	Very high	94.8	Very high	22 Å²	22	43.9 Å²	43.9	18%	0.182	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-59.7	-42.3	-169.9	0	0	0	0	0	113	K292 L293 E333	A290-K292 PolarHBondContact O-N 2.84Å; A290-L293 PolarHBondContact O-N 2.78Å; A290-E333 HydrophobicContact CB-CG 3.86Å
291	D	93.8	Very high	94.9	Very high	99 Å²	99	44.9 Å²	44.9	53%	0.529	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-58.7	-21.4	178.9	66.4	-54.9	0	0	0	113.3	V289 K334	V289-D291 VanDerWaalsContact CG1-OD1 3.29Å; V289-D291 WeakPolarHBondContact CG1-OD1 3.43Å; V289-D291 PolarHBondContact O-N 2.78Å; D291-K334 WeakPolarHBondContact O-CE 3.41Å; D291-K334 PolarHBondContact O-NZ 2.81Å
292	K	95.1	Very high	94.9	Very high	57 Å²	57	45.1 Å²	45.1	25%	0.248	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-117	5.5	179.8	-56.8	-176.2	-172.1	175.2	0	113.9	V289 A290 F294 A440 D444	V289-K292 HydrophobicContact CG1-CB 3.99Å; V289-K292 HydrophobicContact CG1-CD 4.18Å; V289-K292 HydrophobicContact CG1-CG 4.13Å; V289-K292 CarbonylContact O-C 3.55Å; V289-K292 PolarHBondContact O-N 3.48Å; V289-K292 VanDerWaalsContact O-N 3.13Å; A290-K292 PolarHBondContact O-N 2.84Å; K292-F294 HydrophobicContact CB-CD1 3.61Å; K292-F294 HydrophobicContact CB-CE1 3.43Å; K292-F294 VanDerWaalsContact CB-CE1 3.43Å; K292-F294 HydrophobicContact CD-CE1 3.97Å; K292-F294 HydrophobicContact CG-CE1 4.29Å; K292-F294 PolarHBondContact O-N 2.76Å; K292-A440 HydrophobicContact CB-CB 4.25Å; K292-D444 HydrophobicContact CD-CB 3.7Å; K292-D444 VanDerWaalsContact NZ-CG 3.29Å; K292-D444 IonicContact NZ-OD1 3.97Å; K292-D444 PolarHBondContact NZ-OD1 2.85Å
293	L	96.8	Very high	94.9	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	42.6	175.8	-55.4	170.5	0	0	0	114.1	V289 A290 F322 T323 V330 M331 K334 D349	V289-L293 PolarHBondContact O-N 2.98Å; A290-L293 PolarHBondContact O-N 2.78Å; L293-F322 HydrophobicContact CB-CE1 4.45Å; L293-F322 HydrophobicContact CB-CE2 3.88Å; L293-F322 HydrophobicContact CB-CZ 3.83Å; L293-F322 HydrophobicContact CD1-CE2 4.31Å; L293-F322 HydrophobicContact CD1-CZ 3.97Å; L293-F322 HydrophobicContact CG-CZ 4.45Å; L293-T323 VanDerWaalsContact C-OG1 3.27Å; L293-T323 PolarHBondContact O-N 3.31Å; L293-V330 HydrophobicContact CD2-CG1 3.96Å; L293-M331 HydrophobicContact CD1-CE 4.24Å; L293-M331 HydrophobicContact CD1-SD 4.09Å; L293-M331 HydrophobicContact CD2-SD 4.27Å; L293-K334 HydrophobicContact CD1-CD 3.83Å; L293-K334 HydrophobicContact CD2-CB 3.85Å; L293-K334 HydrophobicContact CD2-CD 3.81Å; L293-K334 HydrophobicContact CD2-CG 4.47Å; L293-K334 HydrophobicContact CG-CD 3.63Å; L293-D349 HydrophobicContact CD1-CB 3.56Å
294	F	97.4	Very high	95.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	152.2	170.5	71	-96.2	0	0	0	113	V289 K292 I296 A320 F321 T323 P438 A440 V445 E448	V289-F294 WeakPolarHBondContact CA-O 3.19Å; V289-F294 HydrophobicContact CB-CD1 4.34Å; V289-F294 HydrophobicContact CB-CD2 4.17Å; V289-F294 HydrophobicContact CB-CE1 4.06Å; V289-F294 HydrophobicContact CB-CE2 3.84Å; V289-F294 HydrophobicContact CB-CG 4.41Å; V289-F294 HydrophobicContact CB-CZ 3.79Å; V289-F294 WeakPolarHBondContact CB-O 3.23Å; V289-F294 HydrophobicContact CG1-CE1 3.95Å; V289-F294 HydrophobicContact CG1-CE2 4.4Å; V289-F294 HydrophobicContact CG1-CZ 3.84Å; V289-F294 HydrophobicContact CG2-CD2 4.16Å; V289-F294 HydrophobicContact CG2-CE2 3.55Å; V289-F294 HydrophobicContact CG2-CZ 3.78Å; V289-F294 PolarHBondContact N-O 3.07Å; V289-F294 PolarHBondContact O-N 2.89Å; K292-F294 HydrophobicContact CB-CD1 3.61Å; K292-F294 HydrophobicContact CB-CE1 3.43Å; K292-F294 VanDerWaalsContact CB-CE1 3.43Å; K292-F294 HydrophobicContact CD-CE1 3.97Å; K292-F294 HydrophobicContact CG-CE1 4.29Å; K292-F294 PolarHBondContact O-N 2.76Å; F294-I296 HydrophobicContact CD2-CG1 4.13Å; F294-I296 HydrophobicContact CE2-CD1 4.04Å; F294-I296 HydrophobicContact CE2-CG1 3.95Å; F294-A320 HydrophobicContact CD2-CB 3.97Å; F294-A320 HydrophobicContact CE2-CB 4.49Å; F294-F321 CarbonylContact C-O 3.56Å; F294-F321 WeakPolarHBondContact CA-O 3Å; F294-F321 WeakPolarHBondContact CB-O 3.18Å; F294-T323 PolarHBondContact N-OG1 3.39Å; F294-P438 HydrophobicContact CB-CB 3.81Å; F294-A440 HydrophobicContact CD1-CB 3.68Å; F294-A440 HydrophobicContact CE1-CB 3.99Å; F294-V445 HydrophobicContact CD1-CG2 4.28Å; F294-V445 HydrophobicContact CE1-CG2 4.18Å; F294-V445 HydrophobicContact CZ-CG2 4.42Å; F294-E448 HydrophobicContact CE2-CB 4.05Å; F294-E448 HydrophobicContact CE2-CG 4.42Å; F294-E448 HydrophobicContact CZ-CB 3.99Å; F294-E448 HydrophobicContact CZ-CG 3.93Å
295	T	97.3	Very high	95.2	Very high	11 Å²	11	31.3 Å²	31.3	7%	0.067	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	151.7	171.6	62.1	0	0	0	0	109.6	P285 K287 V288 H297 A320 F321 T323	P285-T295 HydrophobicContact CB-CG2 4.36Å; P285-T295 HydrophobicContact CG-CG2 4.48Å; K287-T295 CarbonylContact O-C 3.5Å; K287-T295 WeakPolarHBondContact O-CA 3.13Å; V288-T295 HydrophobicContact CB-CG2 4.5Å; V288-T295 HydrophobicContact CG1-CG2 4.27Å; V288-T295 HydrophobicContact CG2-CG2 4.1Å; T295-H297 PolarHBondContact OG1-CD2 3.18Å; T295-H297 PolarHBondContact OG1-NE2 3.38Å; T295-A320 CarbonylContact O-C 3.56Å; T295-A320 WeakPolarHBondContact O-CA 3.26Å; T295-F321 PolarHBondContact N-O 2.84Å; T295-F321 PolarHBondContact O-N 2.66Å; T295-T323 HydrophobicContact CG2-CG2 4.22Å
296	I	97.2	Very high	95.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	127	174.2	-60.7	174.7	0	0	0	107.8	P285 V286 K287 F294 C318 A320 E448 V449 C452	P285-I296 CarbonylContact C-O 3.55Å; P285-I296 VanDerWaalsContact CA-O 3.32Å; P285-I296 WeakPolarHBondContact CA-O 2.99Å; P285-I296 WeakPolarHBondContact CB-O 3.39Å; V286-I296 HydrophobicContact CG1-CB 4.27Å; V286-I296 HydrophobicContact CG1-CG2 3.93Å; V286-I296 VanDerWaalsContact CG1-O 3.31Å; V286-I296 WeakPolarHBondContact CG1-O 3.3Å; V286-I296 PolarHBondContact N-O 3.45Å; K287-I296 HydrophobicContact CB-CB 4.34Å; K287-I296 PolarHBondContact N-O 3.45Å; K287-I296 PolarHBondContact O-N 2.61Å; F294-I296 HydrophobicContact CD2-CG1 4.13Å; F294-I296 HydrophobicContact CE2-CD1 4.04Å; F294-I296 HydrophobicContact CE2-CG1 3.95Å; I296-C318 HydrophobicContact CG2-CB 4.02Å; I296-A320 HydrophobicContact CG1-CB 4.33Å; I296-E448 HydrophobicContact CD1-CB 3.61Å; I296-V449 HydrophobicContact CD1-CG2 4.11Å; I296-V449 HydrophobicContact CG1-CG2 4.32Å; I296-C452 HydrophobicContact CG2-CB 4.17Å
297	H	95.8	Very high	94.9	Very high	12 Å²	12	26.2 Å²	26.2	6%	0.056	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	133.6	175.8	-65.5	-117.4	0	0	0	109.1	F281 Y282 D283 T295 C318 K319 F321 F435	F281-H297 HydrophobicContact CD1-CB 4.28Å; Y282-H297 PolarHBondContact O-ND1 2.82Å; D283-H297 PolarHBondContact O-CE1 3.17Å; D283-H297 PolarHBondContact O-ND1 3.13Å; T295-H297 PolarHBondContact OG1-CD2 3.18Å; T295-H297 PolarHBondContact OG1-NE2 3.38Å; H297-C318 WeakPolarHBondContact O-CA 3.44Å; H297-K319 PolarHBondContact N-O 3.42Å; H297-K319 PolarHBondContact O-N 3.08Å; H297-F321 HydrophobicContact CB-CD2 4.3Å; H297-F321 HydrophobicContact CB-CE2 4.11Å; H297-F321 AromaticContact CD2-CD2 3.6Å; H297-F435 AromaticContact CE1-CE1 3.95Å; H297-F435 AromaticContact ND1-CE1 3.98Å
298	K	95	Very high	94.7	Very high	42 Å²	42	27.9 Å²	27.9	18%	0.183	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	146	172.3	-177.3	-167.4	-73.7	177.8	0	108.5	Y282 V286 M316 E463	Y282-K298 HydrophobicContact CD2-CB 4.09Å; Y282-K298 HydrophobicContact CD2-CD 4.3Å; Y282-K298 HydrophobicContact CD2-CG 4.31Å; Y282-K298 WeakPolarHBondContact CD2-O 3.42Å; Y282-K298 HydrophobicContact CE2-CD 3.98Å; Y282-K298 HydrophobicContact CE2-CG 4.35Å; Y282-K298 PolarHBondContact N-O 2.87Å; V286-K298 HydrophobicContact CB-CB 4.32Å; V286-K298 HydrophobicContact CG1-CB 4.27Å; K298-M316 HydrophobicContact CD-CE 3.77Å; K298-M316 HydrophobicContact CG-CE 4.12Å; K298-E463 HydrophobicContact CD-CG 4.31Å; K298-E463 IonicContact NZ-OE2 2.97Å; K298-E463 PolarHBondContact NZ-OE2 2.84Å
299	G	94.4	Very high	94.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	-170.9	179	0	0	0	0	0	112.6	L280 M316 T317	L280-G299 CarbonylContact O-C 3.47Å; L280-G299 WeakPolarHBondContact O-CA 3.14Å; G299-M316 WeakPolarHBondContact O-CA 3.18Å; G299-T317 PolarHBondContact N-O 2.79Å; G299-T317 PolarHBondContact O-N 3.42Å
300	F	94.2	Very high	94.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	150.5	-174.4	-54.6	-78.6	0	0	0	111.3	F272 A279 L280 Y282 D315 M316 E463 L464 F467	F272-F300 HydrophobicContact CD1-CD2 4.4Å; F272-F300 HydrophobicContact CD1-CE2 4.5Å; F272-F300 AromaticContact CE1-CD2 3.93Å; F272-F300 HydrophobicContact CE1-CD2 3.93Å; F272-F300 AromaticContact CE1-CE2 3.69Å; F272-F300 HydrophobicContact CE1-CE2 3.69Å; F272-F300 HydrophobicContact CZ-CD2 4.37Å; F272-F300 HydrophobicContact CZ-CE2 4.17Å; A279-F300 WeakPolarHBondContact CA-O 3.43Å; L280-F300 PolarHBondContact N-O 2.88Å; L280-F300 PolarHBondContact O-N 2.9Å; Y282-F300 HydrophobicContact CD2-CE2 4.3Å; Y282-F300 AromaticContact CE2-CE2 3.5Å; Y282-F300 HydrophobicContact CE2-CE2 3.5Å; Y282-F300 AromaticContact CE2-CZ 3.74Å; Y282-F300 HydrophobicContact CE2-CZ 3.74Å; Y282-F300 AromaticContact CZ-CE2 3.66Å; Y282-F300 AromaticContact CZ-CZ 3.95Å; F300-D315 CarbonylContact C-O 3.54Å; F300-D315 VanDerWaalsContact CA-O 3.3Å; F300-D315 WeakPolarHBondContact CA-O 3.41Å; F300-M316 HydrophobicContact CD1-CG 4.41Å; F300-M316 HydrophobicContact CE1-CG 4.19Å; F300-E463 HydrophobicContact CE1-CG 3.69Å; F300-E463 HydrophobicContact CZ-CG 3.7Å; F300-L464 HydrophobicContact CD1-CD2 3.98Å; F300-L464 HydrophobicContact CE1-CD2 4.24Å; F300-F467 HydrophobicContact CB-CD1 3.75Å; F300-F467 HydrophobicContact CB-CD2 4.33Å; F300-F467 HydrophobicContact CB-CE1 3.41Å; F300-F467 VanDerWaalsContact CB-CE1 3.41Å; F300-F467 HydrophobicContact CB-CE2 4.06Å; F300-F467 HydrophobicContact CB-CG 4.19Å; F300-F467 HydrophobicContact CB-CZ 3.58Å; F300-F467 HydrophobicContact CD1-CB 3.96Å; F300-F467 AromaticContact CD1-CD1 3.68Å; F300-F467 HydrophobicContact CD1-CD1 3.68Å; F300-F467 HydrophobicContact CD1-CD2 4.41Å; F300-F467 HydrophobicContact CD1-CE1 4.26Å; F300-F467 AromaticContact CD1-CG 3.76Å; F300-F467 HydrophobicContact CD1-CG 3.76Å; F300-F467 HydrophobicContact CD2-CB 4.23Å; F300-F467 HydrophobicContact CD2-CD1 4.13Å; F300-F467 AromaticContact CD2-CD2 3.47Å; F300-F467 HydrophobicContact CD2-CD2 3.47Å; F300-F467 VanDerWaalsContact CD2-CD2 3.47Å; F300-F467 HydrophobicContact CD2-CE1 4.36Å; F300-F467 AromaticContact CD2-CE2 3.76Å; F300-F467 HydrophobicContact CD2-CE2 3.76Å; F300-F467 AromaticContact CD2-CG 3.68Å; F300-F467 HydrophobicContact CD2-CG 3.68Å; F300-F467 HydrophobicContact CD2-CZ 4.19Å; F300-F467 HydrophobicContact CE1-CB 3.7Å; F300-F467 HydrophobicContact CE1-CD1 4.32Å; F300-F467 HydrophobicContact CE1-CG 4.01Å; F300-F467 HydrophobicContact CE2-CB 4.01Å; F300-F467 AromaticContact CE2-CD2 3.82Å; F300-F467 HydrophobicContact CE2-CD2 3.82Å; F300-F467 AromaticContact CE2-CG 3.95Å; F300-F467 HydrophobicContact CE2-CG 3.95Å; F300-F467 HydrophobicContact CG-CB 4.21Å; F300-F467 AromaticContact CG-CD1 3.57Å; F300-F467 HydrophobicContact CG-CD1 3.57Å; F300-F467 AromaticContact CG-CD2 3.8Å; F300-F467 HydrophobicContact CG-CD2 3.8Å; F300-F467 AromaticContact CG-CE1 3.76Å; F300-F467 HydrophobicContact CG-CE1 3.76Å; F300-F467 HydrophobicContact CG-CE2 4.01Å; F300-F467 AromaticContact CG-CG 3.57Å; F300-F467 HydrophobicContact CG-CG 3.57Å; F300-F467 AromaticContact CG-CZ 3.98Å; F300-F467 HydrophobicContact CG-CZ 3.98Å; F300-F467 HydrophobicContact CZ-CB 3.73Å; F300-F467 HydrophobicContact CZ-CD2 4.41Å; F300-F467 HydrophobicContact CZ-CG 4.1Å
301	I	93	Very high	94.7	Very high	22 Å²	22	28.9 Å²	28.9	11%	0.113	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	134.9	170.6	-64.5	169.1	0	0	0	107	A279 L314 D315 T317 H793	A279-I301 HydrophobicContact CB-CG1 4.25Å; I301-L314 WeakPolarHBondContact O-CA 3.33Å; I301-D315 PolarHBondContact N-O 2.85Å; I301-D315 PolarHBondContact O-N 3.01Å; I301-T317 HydrophobicContact CD1-CG2 4.14Å; I301-T317 HydrophobicContact CG1-CG2 3.89Å; I301-H793 WeakPolarHBondContact CD1-CE1 3.27Å
302	T	92.4	Very high	94.8	Very high	9 Å²	9	24.2 Å²	24.2	6%	0.055	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	135.9	178	59.2	0	0	0	0	108.9	L280 L314 F467 M471	L280-T302 HydrophobicContact CD1-CG2 4.44Å; T302-L314 HydrophobicContact CG2-CD2 3.8Å; T302-F467 HydrophobicContact CG2-CE1 3.79Å; T302-F467 HydrophobicContact CG2-CZ 3.86Å; T302-M471 HydrophobicContact CG2-CE 3.52Å
303	S	93.2	Very high	94.9	Very high	14 Å²	14	21.6 Å²	21.6	10%	0.098	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	122.8	176	179.8	0	0	0	0	110.6	D261 R305 N313	D261-S303 VanDerWaalsContact OD1-CA 3.27Å; D261-S303 WeakPolarHBondContact OD1-CA 3.46Å; S303-R305 PolarHBondContact OG-NE 3.33Å; S303-R305 PolarHBondContact OG-NH2 3.49Å; S303-R305 VanDerWaalsContact OG-NH2 3.13Å; S303-N313 PolarHBondContact N-O 2.72Å; S303-N313 PolarHBondContact O-N 3.42Å
304	V	95.4	Very high	94.9	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.012	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	134.6	171.9	177.4	0	0	0	0	109.9	L132 I257 L260 D261 L264 V310 R311	L132-V304 HydrophobicContact CD2-CG1 4.21Å; L132-V304 HydrophobicContact CD2-CG2 3.82Å; I257-V304 HydrophobicContact CG2-CB 4.27Å; L260-V304 HydrophobicContact CB-CB 4.48Å; L260-V304 HydrophobicContact CB-CG2 3.77Å; L260-V304 HydrophobicContact CD1-CG1 4.13Å; D261-V304 PolarHBondContact OD1-N 2.92Å; L264-V304 HydrophobicContact CD1-CG2 3.67Å; V304-V310 HydrophobicContact CG1-CG1 3.72Å; V304-R311 CarbonylContact C-O 3.52Å; V304-R311 WeakPolarHBondContact CA-O 3.47Å
305	R	94.1	Very high	94.8	Very high	80 Å²	80	21.6 Å²	21.6	30%	0.302	10%	0.095	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	109.5	-173.9	-64.5	-65.5	171.2	166.7	-5.2	110.1	S303 Q307 R311 N313 E754	S303-R305 PolarHBondContact OG-NE 3.33Å; S303-R305 PolarHBondContact OG-NH2 3.49Å; S303-R305 VanDerWaalsContact OG-NH2 3.13Å; R305-Q307 HydrophobicContact CB-CG 4.06Å; R305-Q307 PolarHBondContact O-N 3.11Å; R305-Q307 VanDerWaalsContact O-N 3.12Å; R305-R311 PolarHBondContact N-O 3.25Å; R305-R311 PolarHBondContact O-N 2.78Å; R305-N313 HydrophobicContact CG-CB 4.17Å; R305-E754 IonicContact NH1-OE1 3.27Å
306	P	93.9	Very high	94.7	Very high	11 Å²	11	21.8 Å²	21.8	7%	0.071	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	95.1	168	-11.8	28.9	0	0	0	109.2	I238 F241 I242 M252 I257	I238-P306 HydrophobicContact CG2-CB 4.17Å; I238-P306 HydrophobicContact CG2-CG 4Å; F241-P306 HydrophobicContact CD1-CB 3.74Å; F241-P306 HydrophobicContact CE1-CB 4.04Å; I242-P306 HydrophobicContact CD1-CB 4.11Å; I242-P306 HydrophobicContact CG1-CB 3.94Å; M252-P306 HydrophobicContact SD-CB 4.27Å; M252-P306 HydrophobicContact SD-CG 3.81Å; I257-P306 HydrophobicContact CD1-CG 3.66Å; I257-P306 HydrophobicContact CG1-CG 4.02Å
307	Q	91.7	Very high	94.5	Very high	10 Å²	10	23.4 Å²	23.4	5%	0.047	11%	0.106	C	C	.	.	S	Bend	trans	-105.4	-136.7	176.8	-65.1	168.7	-22.9	0	0	108.1	R305 K309 I816	R305-Q307 HydrophobicContact CB-CG 4.06Å; R305-Q307 PolarHBondContact O-N 3.11Å; R305-Q307 VanDerWaalsContact O-N 3.12Å; Q307-K309 CarbonylContact C-O 3.59Å; Q307-K309 PolarHBondContact N-O 3.34Å; Q307-K309 PolarHBondContact O-N 3.06Å; Q307-I816 VanDerWaalsContact CD-CA 3.49Å; Q307-I816 VanDerWaalsContact CD-O 3.3Å; Q307-I816 PolarHBondContact NE2-O 2.75Å
308	W	92	Very high	94.4	Very high	108 Å²	108	23.6 Å²	23.6	41%	0.409	11%	0.108	S	C	.	.	S	Bend	trans	-67.4	-25.4	169.3	-66.2	48.8	0	0	0	112	T814 E815 P819	W308-T814 HydrophobicContact CH2-CG2 4.38Å; W308-T814 HydrophobicContact CZ2-CG2 4.16Å; W308-E815 WeakPolarHBondContact CB-O 3.33Å; W308-E815 VanDerWaalsContact CD1-C 3.46Å; W308-E815 VanDerWaalsContact CE2-N 3.27Å; W308-P819 HydrophobicContact CG-CB 4.28Å
309	K	94.6	Very high	94.4	Very high	111 Å²	111	26.1 Å²	26.1	48%	0.483	12%	0.119	S	C	.	.	S	Bend	trans	-132.7	164.8	166.3	-63.8	-175.5	-174.9	179.8	0	108.1	D131 I242 Q307 R311	D131-K309 VanDerWaalsContact OD2-CD 3.23Å; D131-K309 WeakPolarHBondContact OD2-CD 3.11Å; D131-K309 IonicContact OD2-NZ 2.74Å; D131-K309 PolarHBondContact OD2-NZ 3.47Å; I242-K309 VanDerWaalsContact CD1-C 3.46Å; Q307-K309 CarbonylContact C-O 3.59Å; Q307-K309 PolarHBondContact N-O 3.34Å; Q307-K309 PolarHBondContact O-N 3.06Å; K309-R311 HydrophobicContact CB-CG 4.48Å; K309-R311 PolarHBondContact O-N 2.77Å
310	V	95.8	Very high	94.5	Very high	8 Å²	8	26.5 Å²	26.5	5%	0.048	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	124.7	167.5	-164.8	0	0	0	0	108.2	L132 F134 I238 I242 V304	L132-V310 HydrophobicContact CD2-CG1 4.32Å; L132-V310 PolarHBondContact N-O 3.1Å; F134-V310 HydrophobicContact CE1-CB 3.94Å; F134-V310 HydrophobicContact CE1-CG1 3.76Å; F134-V310 HydrophobicContact CE1-CG2 3.84Å; F134-V310 HydrophobicContact CZ-CG1 4.48Å; F134-V310 HydrophobicContact CZ-CG2 4.06Å; I238-V310 HydrophobicContact CG2-CB 4.4Å; I238-V310 HydrophobicContact CG2-CG1 3.94Å; I238-V310 HydrophobicContact CG2-CG2 3.52Å; I242-V310 HydrophobicContact CD1-CB 4.24Å; I242-V310 HydrophobicContact CD1-CG2 3.36Å; I242-V310 VanDerWaalsContact CD1-N 3.35Å; V304-V310 HydrophobicContact CG1-CG1 3.72Å
311	R	96.3	Very high	94.6	Very high	7 Å²	7	26.7 Å²	26.7	3%	0.026	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	156.3	178.5	-59.5	-158.3	179.7	117.7	-8.6	111.2	C129 W130 D131 V304 R305 K309 E815	C129-R311 HydrophobicContact CB-CB 4.26Å; W130-R311 CarbonylContact O-C 3.45Å; W130-R311 WeakPolarHBondContact O-CA 3.19Å; W130-R311 WeakPolarHBondContact O-CB 3.36Å; D131-R311 WeakPolarHBondContact OD1-CD 3.34Å; D131-R311 IonicContact OD1-CZ 3.84Å; D131-R311 IonicContact OD1-NE 2.97Å; D131-R311 PolarHBondContact OD1-NE 3.45Å; D131-R311 IonicContact OD1-NH2 3.04Å; V304-R311 CarbonylContact C-O 3.52Å; V304-R311 WeakPolarHBondContact CA-O 3.47Å; R305-R311 PolarHBondContact N-O 3.25Å; R305-R311 PolarHBondContact O-N 2.78Å; K309-R311 HydrophobicContact CB-CG 4.48Å; K309-R311 PolarHBondContact O-N 2.77Å; R311-E815 VanDerWaalsContact NH1-C 3.28Å; R311-E815 PolarHBondContact NH1-O 3.49Å
312	V	96	Very high	94.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	123.4	163.6	64.7	0	0	0	0	109	C129 W130 L264 L314 V485	C129-V312 CarbonylContact C-O 3.51Å; C129-V312 WeakPolarHBondContact CA-O 3.42Å; W130-V312 HydrophobicContact CB-CG1 3.91Å; W130-V312 PolarHBondContact N-O 3.03Å; W130-V312 PolarHBondContact O-N 2.94Å; L264-V312 HydrophobicContact CD1-CB 4.38Å; L264-V312 HydrophobicContact CD1-CG2 3.68Å; V312-L314 HydrophobicContact CG1-CD2 4.28Å; V312-L314 HydrophobicContact CG1-CG 4.44Å; V312-L314 HydrophobicContact CG2-CD2 3.54Å; V312-L314 HydrophobicContact CG2-CG 4.39Å; V312-V485 HydrophobicContact CG1-CG1 4.03Å; V312-V485 HydrophobicContact CG1-CG2 3.99Å
313	N	96.6	Very high	95	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.016	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	123.5	170	-179.8	-133.5	0	0	0	109.5	N128 S303 R305 H793 I794	N128-N313 PolarHBondContact ND2-ND2 2.83Å; N128-N313 PolarHBondContact O-ND2 2.79Å; N128-N313 PolarHBondContact OD1-ND2 3.29Å; S303-N313 PolarHBondContact N-O 2.72Å; S303-N313 PolarHBondContact O-N 3.42Å; R305-N313 HydrophobicContact CG-CB 4.17Å; N313-H793 WeakPolarHBondContact OD1-CB 3.49Å; N313-I794 HydrophobicContact CB-CD1 4.44Å
314	L	95.9	Very high	95.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	125.4	179.1	-49.9	-179.7	0	0	0	109.3	N128 W130 I301 T302 V312 L464 F467 M471	N128-L314 WeakPolarHBondContact CB-O 3.48Å; N128-L314 PolarHBondContact ND2-O 3.39Å; N128-L314 PolarHBondContact O-N 2.85Å; W130-L314 HydrophobicContact CD2-CD1 4.03Å; W130-L314 HydrophobicContact CE3-CB 4.12Å; W130-L314 HydrophobicContact CE3-CD1 3.62Å; W130-L314 HydrophobicContact CE3-CG 3.71Å; W130-L314 HydrophobicContact CH2-CB 4.48Å; W130-L314 HydrophobicContact CH2-CD1 4.27Å; W130-L314 HydrophobicContact CZ3-CB 3.7Å; W130-L314 HydrophobicContact CZ3-CD1 3.77Å; W130-L314 HydrophobicContact CZ3-CG 3.82Å; I301-L314 WeakPolarHBondContact O-CA 3.33Å; T302-L314 HydrophobicContact CG2-CD2 3.8Å; V312-L314 HydrophobicContact CG1-CD2 4.28Å; V312-L314 HydrophobicContact CG1-CG 4.44Å; V312-L314 HydrophobicContact CG2-CD2 3.54Å; V312-L314 HydrophobicContact CG2-CG 4.39Å; L314-L464 HydrophobicContact CB-CD2 4.1Å; L314-L464 WeakPolarHBondContact O-CD1 3.32Å; L314-F467 HydrophobicContact CD1-CD1 4.19Å; L314-F467 HydrophobicContact CD2-CE1 4.06Å; L314-M471 HydrophobicContact CD2-CE 3.73Å
315	D	95.9	Very high	95.3	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.016	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	153.3	175.3	-166	20.3	0	0	0	111.5	F300 I301 R460 H793 R795	F300-D315 CarbonylContact C-O 3.54Å; F300-D315 VanDerWaalsContact CA-O 3.3Å; F300-D315 WeakPolarHBondContact CA-O 3.41Å; I301-D315 PolarHBondContact N-O 2.85Å; I301-D315 PolarHBondContact O-N 3.01Å; D315-R460 IonicContact OD1-CZ 2.77Å; D315-R460 IonicContact OD1-NH1 3.43Å; D315-R460 PolarHBondContact OD1-NH1 3.46Å; D315-H793 HydrophobicContact CB-CB 3.84Å; D315-H793 IonicContact OD2-CG 2.75Å; D315-H793 IonicContact OD2-ND1 3.96Å; D315-H793 PolarHBondContact OD2-ND1 2.83Å; D315-H793 VanDerWaalsContact OD2-ND1 3.16Å; D315-R795 IonicContact OD2-CZ 3.6Å; D315-R795 IonicContact OD2-NE 3.17Å; D315-R795 IonicContact OD2-NH2 3.87Å; D315-R795 PolarHBondContact OD2-NH2 2.85Å
316	M	94.8	Very high	95.4	Very high	15 Å²	15	26.4 Å²	26.4	7%	0.074	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	143.9	176.3	-61.4	174.8	64.7	0	0	110.8	K298 G299 F300 V455 R460 E463 L464	K298-M316 HydrophobicContact CD-CE 3.77Å; K298-M316 HydrophobicContact CG-CE 4.12Å; G299-M316 WeakPolarHBondContact O-CA 3.18Å; F300-M316 HydrophobicContact CD1-CG 4.41Å; F300-M316 HydrophobicContact CE1-CG 4.19Å; M316-V455 HydrophobicContact CE-CG2 4.29Å; M316-R460 HydrophobicContact CG-CG 4.28Å; M316-R460 HydrophobicContact SD-CB 4.02Å; M316-R460 HydrophobicContact SD-CG 3.72Å; M316-E463 HydrophobicContact CE-CB 4.31Å; M316-E463 HydrophobicContact CE-CG 3.95Å; M316-E463 HydrophobicContact CG-CG 4.47Å; M316-E463 HydrophobicContact SD-CB 3.99Å; M316-E463 HydrophobicContact SD-CG 4.11Å; M316-L464 HydrophobicContact CG-CD2 3.94Å; M316-L464 HydrophobicContact CG-CG 4.3Å
317	T	93.5	Very high	95.6	Very high	35 Å²	35	25.9 Å²	25.9	22%	0.215	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	155.5	171.4	-170.2	0	0	0	0	111.1	A279 F281 G299 I301	A279-T317 HydrophobicContact CB-CG2 4.33Å; F281-T317 HydrophobicContact CE1-CG2 3.89Å; F281-T317 HydrophobicContact CZ-CG2 4.02Å; G299-T317 PolarHBondContact N-O 2.79Å; G299-T317 PolarHBondContact O-N 3.42Å; I301-T317 HydrophobicContact CD1-CG2 4.14Å; I301-T317 HydrophobicContact CG1-CG2 3.89Å
318	C	94.3	Very high	95.9	Very high	16 Å²	16	25.6 Å²	25.6	11%	0.108	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	137.5	174.1	-70.9	0	0	0	0	108.6	I296 H297 V449 A453	I296-C318 HydrophobicContact CG2-CB 4.02Å; H297-C318 WeakPolarHBondContact O-CA 3.44Å; C318-V449 HydrophobicContact CB-CG1 3.99Å; C318-A453 HydrophobicContact CB-CB 4.43Å
319	K	94.5	Very high	96.1	Very high	94 Å²	94	24.8 Å²	24.8	41%	0.409	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	137.4	177.6	-171.8	165.7	172.3	-172.7	0	110.6	F281 H297 F321	F281-K319 HydrophobicContact CD1-CB 4.45Å; F281-K319 HydrophobicContact CE1-CB 3.52Å; F281-K319 HydrophobicContact CZ-CB 3.74Å; F281-K319 HydrophobicContact CZ-CD 4Å; H297-K319 PolarHBondContact N-O 3.42Å; H297-K319 PolarHBondContact O-N 3.08Å; K319-F321 HydrophobicContact CB-CE2 3.92Å; K319-F321 HydrophobicContact CB-CZ 3.93Å; K319-F321 HydrophobicContact CD-CE1 3.82Å; K319-F321 HydrophobicContact CD-CE2 4.32Å; K319-F321 HydrophobicContact CD-CZ 3.49Å; K319-F321 VanDerWaalsContact CD-CZ 3.49Å; K319-F321 HydrophobicContact CG-CE1 3.96Å; K319-F321 HydrophobicContact CG-CE2 3.95Å; K319-F321 HydrophobicContact CG-CZ 3.56Å
320	A	96.2	Very high	96.2	Very high	9 Å²	9	19.9 Å²	19.9	7%	0.074	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	141.2	175.6	0	0	0	0	0	111	F294 T295 I296 P438 V445 V449	F294-A320 HydrophobicContact CD2-CB 3.97Å; F294-A320 HydrophobicContact CE2-CB 4.49Å; T295-A320 CarbonylContact O-C 3.56Å; T295-A320 WeakPolarHBondContact O-CA 3.26Å; I296-A320 HydrophobicContact CG1-CB 4.33Å; A320-P438 HydrophobicContact CB-CG 4.25Å; A320-V445 HydrophobicContact CB-CG1 3.53Å; A320-V449 HydrophobicContact CB-CG2 4.15Å
321	F	96.3	Very high	96.3	Very high	4 Å²	4	19.5 Å²	19.5	2%	0.018	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	152.8	175.8	-59.3	-74.5	0	0	0	109.9	L275 F294 T295 H297 K319 F435 Q436	L275-F321 HydrophobicContact CD1-CE1 3.88Å; L275-F321 HydrophobicContact CD1-CE2 3.88Å; L275-F321 HydrophobicContact CD1-CZ 3.24Å; F294-F321 CarbonylContact C-O 3.56Å; F294-F321 WeakPolarHBondContact CA-O 3Å; F294-F321 WeakPolarHBondContact CB-O 3.18Å; T295-F321 PolarHBondContact N-O 2.84Å; T295-F321 PolarHBondContact O-N 2.66Å; H297-F321 HydrophobicContact CB-CD2 4.3Å; H297-F321 HydrophobicContact CB-CE2 4.11Å; H297-F321 AromaticContact CD2-CD2 3.6Å; K319-F321 HydrophobicContact CB-CE2 3.92Å; K319-F321 HydrophobicContact CB-CZ 3.93Å; K319-F321 HydrophobicContact CD-CE1 3.82Å; K319-F321 HydrophobicContact CD-CE2 4.32Å; K319-F321 HydrophobicContact CD-CZ 3.49Å; K319-F321 VanDerWaalsContact CD-CZ 3.49Å; K319-F321 HydrophobicContact CG-CE1 3.96Å; K319-F321 HydrophobicContact CG-CE2 3.95Å; K319-F321 HydrophobicContact CG-CZ 3.56Å; F321-F435 HydrophobicContact CD1-CB 3.92Å; F321-F435 HydrophobicContact CD1-CD1 4.4Å; F321-F435 WeakPolarHBondContact CD1-O 3.16Å; F321-F435 AromaticContact CD2-CD1 3.9Å; F321-F435 HydrophobicContact CD2-CD1 3.9Å; F321-F435 HydrophobicContact CE1-CB 3.95Å; F321-F435 HydrophobicContact CE1-CD1 4.38Å; F321-F435 AromaticContact CE2-CD1 3.92Å; F321-F435 HydrophobicContact CE2-CD1 3.92Å; F321-F435 HydrophobicContact CG-CB 4.36Å; F321-F435 HydrophobicContact CG-CD1 4.14Å; F321-F435 HydrophobicContact CZ-CB 4.48Å; F321-F435 HydrophobicContact CZ-CD1 4.15Å; F321-Q436 CarbonylContact C-O 3.56Å; F321-Q436 WeakPolarHBondContact CA-O 3.4Å; F321-Q436 WeakPolarHBondContact CB-O 3.3Å
322	F	97.5	Very high	96.3	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.009	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	139.7	170.5	-163.3	-81.8	0	0	0	109.5	L293 A324 D349 L350 I353 I432 Q436 N439	L293-F322 HydrophobicContact CB-CE1 4.45Å; L293-F322 HydrophobicContact CB-CE2 3.88Å; L293-F322 HydrophobicContact CB-CZ 3.83Å; L293-F322 HydrophobicContact CD1-CE2 4.31Å; L293-F322 HydrophobicContact CD1-CZ 3.97Å; L293-F322 HydrophobicContact CG-CZ 4.45Å; F322-A324 PolarHBondContact O-N 3.08Å; F322-D349 WeakPolarHBondContact CE2-O 3.49Å; F322-L350 HydrophobicContact CE1-CD2 4.24Å; F322-L350 HydrophobicContact CZ-CD2 3.84Å; F322-I353 HydrophobicContact CB-CD1 4.15Å; F322-I353 HydrophobicContact CD1-CD1 4.17Å; F322-I353 HydrophobicContact CD1-CG1 4.45Å; F322-I353 HydrophobicContact CD1-CG2 4.42Å; F322-I353 HydrophobicContact CD2-CD1 3.44Å; F322-I353 VanDerWaalsContact CD2-CD1 3.44Å; F322-I353 HydrophobicContact CD2-CG1 4.04Å; F322-I353 HydrophobicContact CE1-CD1 4.5Å; F322-I353 HydrophobicContact CE1-CG1 4.32Å; F322-I353 HydrophobicContact CE1-CG2 4.43Å; F322-I353 HydrophobicContact CE2-CD1 3.82Å; F322-I353 HydrophobicContact CE2-CG1 3.88Å; F322-I353 HydrophobicContact CG-CD1 3.65Å; F322-I353 HydrophobicContact CG-CG1 4.33Å; F322-I353 HydrophobicContact CZ-CD1 4.34Å; F322-I353 HydrophobicContact CZ-CG1 4.03Å; F322-I432 HydrophobicContact CD1-CD1 4.46Å; F322-I432 HydrophobicContact CD1-CG2 3.81Å; F322-I432 HydrophobicContact CE1-CD1 3.86Å; F322-I432 HydrophobicContact CE1-CG2 4.22Å; F322-Q436 HydrophobicContact CB-CB 4.17Å; F322-Q436 PolarHBondContact N-O 2.81Å; F322-N439 HydrophobicContact CE2-CB 4.39Å
323	T	97.4	Very high	96.3	Very high	11 Å²	11	30.3 Å²	30.3	7%	0.067	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-58.6	123.5	-178.8	-55.9	0	0	0	0	110.9	L293 F294 T295 V330 I432	L293-T323 VanDerWaalsContact C-OG1 3.27Å; L293-T323 PolarHBondContact O-N 3.31Å; F294-T323 PolarHBondContact N-OG1 3.39Å; T295-T323 HydrophobicContact CG2-CG2 4.22Å; T323-V330 HydrophobicContact CG2-CG1 4.07Å; T323-V330 HydrophobicContact CG2-CG2 3.93Å; T323-I432 WeakPolarHBondContact O-CG2 3.36Å
324	A	96.5	Very high	96.3	Very high	46 Å²	46	32.9 Å²	32.9	38%	0.38	18%	0.175	S	C	.	.	P	Polyproline II helix	trans	-89.1	159.4	177.6	0	0	0	0	0	111	F322 P434	F322-A324 PolarHBondContact O-N 3.08Å; A324-P434 HydrophobicContact CB-CB 3.91Å
325	G	96.8	Very high	96.3	Very high	31 Å²	31	34.6 Å²	34.6	32%	0.32	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	128.2	-172.5	178.8	0	0	0	0	0	112.7	L327 N431 I432	G325-L327 PolarHBondContact O-N 2.86Å; G325-N431 CarbonylContact O-C 3.56Å; G325-N431 WeakPolarHBondContact O-CA 3.35Å; G325-I432 PolarHBondContact N-O 3.13Å; G325-I432 PolarHBondContact O-N 2.89Å
326	N	98.1	Very high	96.2	Very high	31 Å²	31	35.7 Å²	35.7	17%	0.166	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	132	176.3	-174.5	-78.7	0	0	0	110.1	A328 D329 V330 E428	N326-A328 PolarHBondContact O-N 3.18Å; N326-A328 WeakPolarHBondContact OD1-CB 3.37Å; N326-A328 PolarHBondContact OD1-N 3.1Å; N326-D329 HydrophobicContact CB-CB 4.16Å; N326-D329 WeakPolarHBondContact CB-OD2 3.45Å; N326-D329 PolarHBondContact O-N 2.94Å; N326-D329 PolarHBondContact OD1-N 3.2Å; N326-V330 WeakPolarHBondContact O-CB 3.2Å; N326-V330 VanDerWaalsContact O-CG2 3.3Å; N326-V330 WeakPolarHBondContact O-CG2 3.43Å; N326-V330 PolarHBondContact O-N 3.17Å; N326-E428 PolarHBondContact ND2-O 3.39Å
327	L	97.7	Very high	96.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66.4	-38.5	-173.7	176.2	63.7	0	0	0	111.9	G325 M331 L350 V415 M427 L430 I432	G325-L327 PolarHBondContact O-N 2.86Å; L327-M331 HydrophobicContact CD1-CG 3.82Å; L327-M331 HydrophobicContact CD1-SD 4.34Å; L327-M331 HydrophobicContact CG-CG 4.41Å; L327-M331 WeakPolarHBondContact O-CB 3.36Å; L327-M331 WeakPolarHBondContact O-CG 3.46Å; L327-M331 PolarHBondContact O-N 2.94Å; L327-M331 VanDerWaalsContact O-N 3.08Å; L327-L350 HydrophobicContact CD1-CD1 3.78Å; L327-L350 HydrophobicContact CD1-CD2 3.41Å; L327-L350 VanDerWaalsContact CD1-CD2 3.41Å; L327-L350 HydrophobicContact CD1-CG 4.23Å; L327-V415 HydrophobicContact CD2-CG2 3.38Å; L327-M427 WeakPolarHBondContact CB-O 3.48Å; L327-M427 HydrophobicContact CD2-CB 4.28Å; L327-M427 HydrophobicContact CD2-CG 4.06Å; L327-M427 HydrophobicContact CG-CB 4.3Å; L327-M427 HydrophobicContact CG-CG 4.36Å; L327-L430 HydrophobicContact CB-CB 4.05Å; L327-L430 VanDerWaalsContact CB-O 3.23Å; L327-L430 WeakPolarHBondContact CB-O 3.23Å; L327-L430 HydrophobicContact CD2-CB 4.05Å; L327-L430 HydrophobicContact CD2-CD1 3.94Å; L327-L430 PolarHBondContact N-O 3.26Å; L327-I432 HydrophobicContact CB-CD1 4.42Å; L327-I432 HydrophobicContact CB-CG1 4.32Å; L327-I432 HydrophobicContact CD1-CD1 3.67Å; L327-I432 HydrophobicContact CD1-CG1 3.91Å
328	A	96.9	Very high	96	Very high	3 Å²	3	44.4 Å²	44.4	3%	0.025	24%	0.239	C	C	.	.	H	α-helix	trans	-63.1	-46.7	176.6	0	0	0	0	0	110.9	N326 M331 Y332 L412 M427 E428	N326-A328 PolarHBondContact O-N 3.18Å; N326-A328 WeakPolarHBondContact OD1-CB 3.37Å; N326-A328 PolarHBondContact OD1-N 3.1Å; A328-M331 PolarHBondContact O-N 3.4Å; A328-Y332 VanDerWaalsContact O-CB 3.31Å; A328-Y332 WeakPolarHBondContact O-CB 3.37Å; A328-Y332 PolarHBondContact O-N 3.19Å; A328-L412 HydrophobicContact CB-CD1 4.11Å; A328-M427 HydrophobicContact CB-CB 4.22Å; A328-E428 HydrophobicContact CB-CB 4.1Å
329	D	97	Very high	96	Very high	91 Å²	91	44.1 Å²	44.1	49%	0.487	24%	0.236	S	C	.	.	H	α-helix	trans	-61.7	-47.2	179.7	-63.5	-22.2	0	0	0	112.1	N326 M331 Y332 E333	N326-D329 HydrophobicContact CB-CB 4.16Å; N326-D329 WeakPolarHBondContact CB-OD2 3.45Å; N326-D329 PolarHBondContact O-N 2.94Å; N326-D329 PolarHBondContact OD1-N 3.2Å; D329-M331 VanDerWaalsContact C-N 3.31Å; D329-M331 PolarHBondContact O-N 3.38Å; D329-Y332 PolarHBondContact O-N 3.24Å; D329-E333 PolarHBondContact O-N 2.92Å
330	V	97.2	Very high	95.7	Very high	8 Å²	8	41.9 Å²	41.9	5%	0.048	24%	0.235	C	C	.	.	H	α-helix	trans	-62.2	-39.2	179.7	169.1	0	0	0	0	111.5	L293 T323 N326 I432	L293-V330 HydrophobicContact CD2-CG1 3.96Å; T323-V330 HydrophobicContact CG2-CG1 4.07Å; T323-V330 HydrophobicContact CG2-CG2 3.93Å; N326-V330 WeakPolarHBondContact O-CB 3.2Å; N326-V330 VanDerWaalsContact O-CG2 3.3Å; N326-V330 WeakPolarHBondContact O-CG2 3.43Å; N326-V330 PolarHBondContact O-N 3.17Å; V330-I432 HydrophobicContact CB-CD1 3.9Å; V330-I432 HydrophobicContact CG1-CD1 3.81Å; V330-I432 HydrophobicContact CG2-CD1 4.02Å
331	M	97.1	Very high	95.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-75.5	-34.8	178.3	-63.5	-48.1	-71.3	0	0	111.8	L293 L327 A328 D329 E333 K334 Y335 I339 M346 D349 L350	L293-M331 HydrophobicContact CD1-CE 4.24Å; L293-M331 HydrophobicContact CD1-SD 4.09Å; L293-M331 HydrophobicContact CD2-SD 4.27Å; L327-M331 HydrophobicContact CD1-CG 3.82Å; L327-M331 HydrophobicContact CD1-SD 4.34Å; L327-M331 HydrophobicContact CG-CG 4.41Å; L327-M331 WeakPolarHBondContact O-CB 3.36Å; L327-M331 WeakPolarHBondContact O-CG 3.46Å; L327-M331 PolarHBondContact O-N 2.94Å; L327-M331 VanDerWaalsContact O-N 3.08Å; A328-M331 PolarHBondContact O-N 3.4Å; D329-M331 VanDerWaalsContact C-N 3.31Å; D329-M331 PolarHBondContact O-N 3.38Å; M331-E333 VanDerWaalsContact C-N 3.33Å; M331-K334 PolarHBondContact O-N 3.04Å; M331-Y335 HydrophobicContact CE-CD2 3.95Å; M331-Y335 HydrophobicContact CE-CE2 3.47Å; M331-Y335 VanDerWaalsContact CE-CE2 3.47Å; M331-Y335 WeakPolarHBondContact O-CD2 3.33Å; M331-Y335 PolarHBondContact O-N 3.45Å; M331-I339 HydrophobicContact CB-CD1 3.79Å; M331-I339 HydrophobicContact CB-CG1 4.48Å; M331-M346 HydrophobicContact CB-SD 3.98Å; M331-M346 HydrophobicContact CE-CB 3.73Å; M331-M346 HydrophobicContact CE-CG 3.36Å; M331-M346 HydrophobicContact CE-SD 3.68Å; M331-M346 HydrophobicContact CG-SD 4.25Å; M331-D349 HydrophobicContact CE-CB 4.4Å; M331-L350 HydrophobicContact CE-CD1 3.94Å; M331-L350 HydrophobicContact CE-CG 4.05Å; M331-L350 HydrophobicContact CG-CD1 4.14Å; M331-L350 HydrophobicContact SD-CD1 3.94Å; M331-L350 HydrophobicContact SD-CD2 3.76Å; M331-L350 HydrophobicContact SD-CG 3.92Å
332	Y	96.3	Very high	95.2	Very high	119 Å²	119	52.5 Å²	52.5	47%	0.467	28%	0.276	S	S	.	.	H	α-helix	trans	-64.4	-38.4	173.9	-178.4	-98.8	0	0	0	111.4	A328 D329 K334 Y335 G336 D337 I339	A328-Y332 VanDerWaalsContact O-CB 3.31Å; A328-Y332 WeakPolarHBondContact O-CB 3.37Å; A328-Y332 PolarHBondContact O-N 3.19Å; D329-Y332 PolarHBondContact O-N 3.24Å; Y332-K334 PolarHBondContact O-N 2.82Å; Y332-Y335 PolarHBondContact O-N 2.7Å; Y332-G336 VanDerWaalsContact O-CA 3.26Å; Y332-G336 WeakPolarHBondContact O-CA 3.47Å; Y332-G336 PolarHBondContact O-N 3.17Å; Y332-D337 PolarHBondContact OH-OD1 3.36Å; Y332-I339 HydrophobicContact CD2-CG2 4.43Å
333	E	95.9	Very high	95	Very high	115 Å²	115	53.4 Å²	53.4	54%	0.537	28%	0.283	S	S	.	.	H	α-helix	trans	-59.5	-32.6	176.5	-162.8	-178.2	178.1	0	0	112.7	A290 D329 M331	A290-E333 HydrophobicContact CB-CG 3.86Å; D329-E333 PolarHBondContact O-N 2.92Å; M331-E333 VanDerWaalsContact C-N 3.33Å
334	K	96	Very high	94.8	Very high	58 Å²	58	57.2 Å²	57.2	25%	0.252	31%	0.31	S	S	.	.	H	α-helix	trans	-83.4	-44.8	176.2	174.5	168.4	176.4	175.6	0	113.7	D291 L293 M331 Y332 D349	D291-K334 WeakPolarHBondContact O-CE 3.41Å; D291-K334 PolarHBondContact O-NZ 2.81Å; L293-K334 HydrophobicContact CD1-CD 3.83Å; L293-K334 HydrophobicContact CD2-CB 3.85Å; L293-K334 HydrophobicContact CD2-CD 3.81Å; L293-K334 HydrophobicContact CD2-CG 4.47Å; L293-K334 HydrophobicContact CG-CD 3.63Å; M331-K334 PolarHBondContact O-N 3.04Å; Y332-K334 PolarHBondContact O-N 2.82Å; K334-D349 WeakPolarHBondContact CE-OD2 3.44Å; K334-D349 IonicContact NZ-OD1 2.85Å; K334-D349 PolarHBondContact NZ-OD1 3.21Å; K334-D349 IonicContact NZ-OD2 2.78Å; K334-D349 PolarHBondContact NZ-OD2 3.06Å
335	Y	96	Very high	94.7	Very high	36 Å²	36	59.8 Å²	59.8	14%	0.141	31%	0.314	C	S	.	.	H	α-helix	trans	-100.6	-16.1	-167.7	-71.3	-77.7	0	0	0	114	M331 Y332 N338 C342 Q345 M346 D349	M331-Y335 HydrophobicContact CE-CD2 3.95Å; M331-Y335 HydrophobicContact CE-CE2 3.47Å; M331-Y335 VanDerWaalsContact CE-CE2 3.47Å; M331-Y335 WeakPolarHBondContact O-CD2 3.33Å; M331-Y335 PolarHBondContact O-N 3.45Å; Y332-Y335 PolarHBondContact O-N 2.7Å; Y335-N338 PolarHBondContact O-N 2.82Å; Y335-C342 HydrophobicContact CD1-CB 3.45Å; Y335-C342 VanDerWaalsContact CD1-CB 3.45Å; Y335-C342 VanDerWaalsContact CD1-SG 3.52Å; Y335-C342 HydrophobicContact CE1-CB 3.54Å; Y335-C342 HydrophobicContact CG-CB 4.1Å; Y335-Q345 HydrophobicContact CE1-CB 4.08Å; Y335-Q345 VanDerWaalsContact OH-CB 3.23Å; Y335-Q345 WeakPolarHBondContact OH-CB 3.44Å; Y335-M346 HydrophobicContact CD2-CG 3.88Å; Y335-M346 HydrophobicContact CD2-SD 4.21Å; Y335-M346 HydrophobicContact CE2-CG 3.52Å; Y335-M346 HydrophobicContact CE2-SD 4.4Å; Y335-D349 PolarHBondContact OH-OD2 3.26Å
336	G	94.7	Very high	94.6	Very high	25 Å²	25	58.3 Å²	58.3	26%	0.258	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	53.6	-146.6	-171.6	0	0	0	0	0	112	Y332 N338 I339	Y332-G336 VanDerWaalsContact O-CA 3.26Å; Y332-G336 WeakPolarHBondContact O-CA 3.47Å; Y332-G336 PolarHBondContact O-N 3.17Å; G336-N338 PolarHBondContact O-N 3.12Å; G336-I339 WeakPolarHBondContact O-CB 3.39Å; G336-I339 WeakPolarHBondContact O-CG2 3.21Å; G336-I339 PolarHBondContact O-N 2.9Å
337	D	92.6	Very high	94.5	Very high	138 Å²	138	58.2 Å²	58.2	74%	0.738	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-60.1	-15.4	179.4	-58.1	-32.3	0	0	0	114.1	Y332 I339	Y332-D337 PolarHBondContact OH-OD1 3.36Å; D337-I339 VanDerWaalsContact C-N 3.26Å; D337-I339 PolarHBondContact O-N 3.12Å
338	N	91.3	Very high	94.3	Very high	96 Å²	96	64.2 Å²	64.2	51%	0.513	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-80.9	-2	176.2	-71.3	-47.7	0	0	0	113.6	Y335 G336 A340 R341 C342	Y335-N338 PolarHBondContact O-N 2.82Å; G336-N338 PolarHBondContact O-N 3.12Å; N338-A340 VanDerWaalsContact C-N 3.25Å; N338-A340 PolarHBondContact O-N 3.21Å; N338-A340 VanDerWaalsContact O-N 3.12Å; N338-R341 PolarHBondContact O-N 2.94Å; N338-C342 PolarHBondContact O-N 3.44Å; N338-C342 PolarHBondContact O-SG 3.46Å
339	I	93.6	Very high	94.3	Very high	9 Å²	9	65.3 Å²	65.3	5%	0.046	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-46.5	-44.7	-176.5	-173.9	174.8	0	0	0	113.3	M331 Y332 G336 D337 R341 C342 M346 L412 M427	M331-I339 HydrophobicContact CB-CD1 3.79Å; M331-I339 HydrophobicContact CB-CG1 4.48Å; Y332-I339 HydrophobicContact CD2-CG2 4.43Å; G336-I339 WeakPolarHBondContact O-CB 3.39Å; G336-I339 WeakPolarHBondContact O-CG2 3.21Å; G336-I339 PolarHBondContact O-N 2.9Å; D337-I339 VanDerWaalsContact C-N 3.26Å; D337-I339 PolarHBondContact O-N 3.12Å; I339-R341 PolarHBondContact O-N 3.08Å; I339-C342 PolarHBondContact O-N 3.22Å; I339-C342 VanDerWaalsContact O-N 3.14Å; I339-M346 HydrophobicContact CD1-SD 4.33Å; I339-M346 HydrophobicContact CG1-CE 3.98Å; I339-M346 HydrophobicContact CG1-SD 3.7Å; I339-M346 WeakPolarHBondContact O-CE 3.35Å; I339-L412 HydrophobicContact CD1-CD2 4.12Å; I339-L412 HydrophobicContact CG1-CD2 4.32Å; I339-L412 HydrophobicContact CG2-CD2 3.51Å; I339-M427 HydrophobicContact CD1-CE 4.09Å
340	A	88.8	Confident	94.3	Very high	47 Å²	47	61 Å²	61	39%	0.388	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-63.9	-24.8	-179	0	0	0	0	0	113.5	N338	N338-A340 VanDerWaalsContact C-N 3.25Å; N338-A340 PolarHBondContact O-N 3.21Å; N338-A340 VanDerWaalsContact O-N 3.12Å
341	R	90	Very high	94.1	Very high	214 Å²	214	67 Å²	67	81%	0.808	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-92.3	-4.1	-180	-62.3	-178.6	179.5	-179.8	0.5	113.5	N338 I339	N338-R341 PolarHBondContact O-N 2.94Å; I339-R341 PolarHBondContact O-N 3.08Å
342	C	93	Very high	93.9	Very high	23 Å²	23	74.2 Å²	74.2	16%	0.155	36%	0.361	C	S	.	.			trans	-108.5	21.7	-172.3	-66.3	0	0	0	0	113.9	Y335 N338 I339 S344 Q345 M346	Y335-C342 HydrophobicContact CD1-CB 3.45Å; Y335-C342 VanDerWaalsContact CD1-CB 3.45Å; Y335-C342 VanDerWaalsContact CD1-SG 3.52Å; Y335-C342 HydrophobicContact CE1-CB 3.54Å; Y335-C342 HydrophobicContact CG-CB 4.1Å; N338-C342 PolarHBondContact O-N 3.44Å; N338-C342 PolarHBondContact O-SG 3.46Å; I339-C342 PolarHBondContact O-N 3.22Å; I339-C342 VanDerWaalsContact O-N 3.14Å; C342-S344 VanDerWaalsContact C-N 3.27Å; C342-S344 PolarHBondContact O-N 2.85Å; C342-S344 VanDerWaalsContact O-N 3.16Å; C342-Q345 PolarHBondContact O-N 2.84Å; C342-Q345 PolarHBondContact O-OE1 3.47Å; C342-M346 HydrophobicContact CB-CG 4.44Å; C342-M346 WeakPolarHBondContact O-CG 3.1Å; C342-M346 PolarHBondContact O-N 2.9Å
343	S	92.6	Very high	94	Very high	21 Å²	21	68.7 Å²	68.7	15%	0.147	34%	0.34	C	S	.	.	H	α-helix	trans	-50.9	-41.7	-176.1	57.8	0	0	0	0	113.9	A347 S379	S343-A347 WeakPolarHBondContact O-CB 3.16Å; S343-A347 PolarHBondContact O-N 3.42Å; S343-S379 WeakPolarHBondContact CB-O 3.44Å
344	S	93	Very high	94	Very high	90 Å²	90	66.5 Å²	66.5	63%	0.629	33%	0.327	S	S	*	.	H	α-helix	trans	-67.3	-41.9	178.8	-67.1	0	0	0	0	112.8	C342 A347 H348	C342-S344 VanDerWaalsContact C-N 3.27Å; C342-S344 PolarHBondContact O-N 2.85Å; C342-S344 VanDerWaalsContact O-N 3.16Å; S344-A347 PolarHBondContact O-N 3.39Å; S344-H348 PolarHBondContact O-N 2.93Å
345	Q	94	Very high	94	Very high	101 Å²	101	63.8 Å²	63.8	47%	0.472	32%	0.315	S	S	.	.	H	α-helix	trans	-69.4	-41.9	177.1	-64.7	76.1	12.3	0	0	110.7	Y335 C342 A347 H348 D349	Y335-Q345 HydrophobicContact CE1-CB 4.08Å; Y335-Q345 VanDerWaalsContact OH-CB 3.23Å; Y335-Q345 WeakPolarHBondContact OH-CB 3.44Å; C342-Q345 PolarHBondContact O-N 2.84Å; C342-Q345 PolarHBondContact O-OE1 3.47Å; Q345-A347 VanDerWaalsContact C-N 3.34Å; Q345-A347 PolarHBondContact O-N 2.75Å; Q345-H348 WeakPolarHBondContact O-CB 3.42Å; Q345-H348 PolarHBondContact O-N 3.13Å; Q345-H348 VanDerWaalsContact O-N 3.16Å; Q345-D349 PolarHBondContact O-N 3.27Å
346	M	95.7	Very high	94	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-60.2	-41.1	174.6	-68.4	-159.9	-71.1	0	0	112.3	M331 Y335 I339 C342 H348 D349 L350 I378 P413 M427	M331-M346 HydrophobicContact CB-SD 3.98Å; M331-M346 HydrophobicContact CE-CB 3.73Å; M331-M346 HydrophobicContact CE-CG 3.36Å; M331-M346 HydrophobicContact CE-SD 3.68Å; M331-M346 HydrophobicContact CG-SD 4.25Å; Y335-M346 HydrophobicContact CD2-CG 3.88Å; Y335-M346 HydrophobicContact CD2-SD 4.21Å; Y335-M346 HydrophobicContact CE2-CG 3.52Å; Y335-M346 HydrophobicContact CE2-SD 4.4Å; I339-M346 HydrophobicContact CD1-SD 4.33Å; I339-M346 HydrophobicContact CG1-CE 3.98Å; I339-M346 HydrophobicContact CG1-SD 3.7Å; I339-M346 WeakPolarHBondContact O-CE 3.35Å; C342-M346 HydrophobicContact CB-CG 4.44Å; C342-M346 WeakPolarHBondContact O-CG 3.1Å; C342-M346 PolarHBondContact O-N 2.9Å; M346-H348 VanDerWaalsContact C-N 3.26Å; M346-H348 PolarHBondContact O-N 3.01Å; M346-D349 PolarHBondContact O-N 3.48Å; M346-L350 WeakPolarHBondContact O-CB 3.35Å; M346-L350 WeakPolarHBondContact O-CG 3.46Å; M346-L350 PolarHBondContact O-N 2.87Å; M346-I378 HydrophobicContact CB-CG1 4.06Å; M346-I378 HydrophobicContact CE-CG2 4.26Å; M346-P413 HydrophobicContact CE-CG 3.63Å; M346-M427 HydrophobicContact CE-CE 4.46Å; M346-M427 HydrophobicContact CE-SD 4.43Å; M346-M427 HydrophobicContact SD-SD 4.46Å
347	A	95.2	Very high	94.1	Very high	29 Å²	29	62.7 Å²	62.7	24%	0.24	31%	0.305	C	S	.	.	H	α-helix	trans	-61.5	-35.1	176.7	0	0	0	0	0	112.6	S343 S344 Q345 R351 I378	S343-A347 WeakPolarHBondContact O-CB 3.16Å; S343-A347 PolarHBondContact O-N 3.42Å; S344-A347 PolarHBondContact O-N 3.39Å; Q345-A347 VanDerWaalsContact C-N 3.34Å; Q345-A347 PolarHBondContact O-N 2.75Å; A347-R351 PolarHBondContact O-N 3.47Å; A347-I378 HydrophobicContact CB-CB 4.17Å; A347-I378 HydrophobicContact CB-CG1 3.92Å
348	H	94.2	Very high	94	Very high	126 Å²	126	59.5 Å²	59.5	58%	0.583	29%	0.287	S	S	*	.	H	α-helix	trans	-70.2	-46.9	173.2	178.4	-85.8	0	0	0	111.6	S344 Q345 M346 L350 R351	S344-H348 PolarHBondContact O-N 2.93Å; Q345-H348 WeakPolarHBondContact O-CB 3.42Å; Q345-H348 PolarHBondContact O-N 3.13Å; Q345-H348 VanDerWaalsContact O-N 3.16Å; M346-H348 VanDerWaalsContact C-N 3.26Å; M346-H348 PolarHBondContact O-N 3.01Å; H348-L350 PolarHBondContact O-N 3.14Å; H348-R351 VanDerWaalsContact O-CB 3.27Å; H348-R351 WeakPolarHBondContact O-CB 3.39Å; H348-R351 PolarHBondContact O-N 2.9Å
349	D	95.9	Very high	94	Very high	25 Å²	25	61.8 Å²	61.8	13%	0.134	29%	0.293	C	S	.	.	H	α-helix	trans	-61.3	-41.1	-179.4	-79	-17.8	0	0	0	113.7	L293 F322 M331 K334 Y335 Q345 M346 R351 N439	L293-D349 HydrophobicContact CD1-CB 3.56Å; F322-D349 WeakPolarHBondContact CE2-O 3.49Å; M331-D349 HydrophobicContact CE-CB 4.4Å; K334-D349 WeakPolarHBondContact CE-OD2 3.44Å; K334-D349 IonicContact NZ-OD1 2.85Å; K334-D349 PolarHBondContact NZ-OD1 3.21Å; K334-D349 IonicContact NZ-OD2 2.78Å; K334-D349 PolarHBondContact NZ-OD2 3.06Å; Y335-D349 PolarHBondContact OH-OD2 3.26Å; Q345-D349 PolarHBondContact O-N 3.27Å; M346-D349 PolarHBondContact O-N 3.48Å; D349-R351 VanDerWaalsContact C-N 3.32Å; D349-N439 WeakPolarHBondContact O-CB 3.48Å; D349-N439 PolarHBondContact O-ND2 3.12Å
350	L	96.7	Very high	93.9	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	3.3	-176.3	-66.7	166.9	0	0	0	113.1	F322 L327 M331 M346 H348 R352 I353 V375 I378	F322-L350 HydrophobicContact CE1-CD2 4.24Å; F322-L350 HydrophobicContact CZ-CD2 3.84Å; L327-L350 HydrophobicContact CD1-CD1 3.78Å; L327-L350 HydrophobicContact CD1-CD2 3.41Å; L327-L350 VanDerWaalsContact CD1-CD2 3.41Å; L327-L350 HydrophobicContact CD1-CG 4.23Å; M331-L350 HydrophobicContact CE-CD1 3.94Å; M331-L350 HydrophobicContact CE-CG 4.05Å; M331-L350 HydrophobicContact CG-CD1 4.14Å; M331-L350 HydrophobicContact SD-CD1 3.94Å; M331-L350 HydrophobicContact SD-CD2 3.76Å; M331-L350 HydrophobicContact SD-CG 3.92Å; M346-L350 WeakPolarHBondContact O-CB 3.35Å; M346-L350 WeakPolarHBondContact O-CG 3.46Å; M346-L350 PolarHBondContact O-N 2.87Å; H348-L350 PolarHBondContact O-N 3.14Å; L350-R352 PolarHBondContact O-N 3.12Å; L350-I353 WeakPolarHBondContact O-CB 3.44Å; L350-I353 WeakPolarHBondContact O-CG1 3.35Å; L350-I353 PolarHBondContact O-N 2.94Å; L350-V375 HydrophobicContact CB-CB 4.29Å; L350-V375 HydrophobicContact CB-CG1 3.71Å; L350-V375 HydrophobicContact CB-CG2 4.48Å; L350-V375 VanDerWaalsContact O-CB 3.32Å; L350-V375 WeakPolarHBondContact O-CB 3.33Å; L350-I378 HydrophobicContact CD1-CD1 3.79Å; L350-I378 HydrophobicContact CD1-CG1 4.49Å
351	R	93.6	Very high	94	Very high	134 Å²	134	61.8 Å²	61.8	51%	0.506	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	119.7	-175.7	-177.6	-179.1	-173.2	178	8.5	111.7	A347 H348 D349 I353 N439	A347-R351 PolarHBondContact O-N 3.47Å; H348-R351 VanDerWaalsContact O-CB 3.27Å; H348-R351 WeakPolarHBondContact O-CB 3.39Å; H348-R351 PolarHBondContact O-N 2.9Å; D349-R351 VanDerWaalsContact C-N 3.32Å; R351-I353 PolarHBondContact O-N 3.3Å; R351-N439 PolarHBondContact O-ND2 3.05Å
352	R	93.5	Very high	93.9	Very high	152 Å²	152	58.9 Å²	58.9	57%	0.574	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	15.8	177.6	-60.9	177.3	172.1	-166	-6.2	115.2	L350 T374 V375	L350-R352 PolarHBondContact O-N 3.12Å; R352-T374 HydrophobicContact CB-CG2 4.25Å; R352-V375 PolarHBondContact N-O 2.9Å
353	I	96.9	Very high	93.4	Very high	3 Å²	3	59.7 Å²	59.7	2%	0.015	28%	0.279	C	S	.	.			trans	-68	134.8	169.9	-63.5	-56.8	0	0	0	108.6	F322 L350 R351 V355 V375 I432	F322-I353 HydrophobicContact CB-CD1 4.15Å; F322-I353 HydrophobicContact CD1-CD1 4.17Å; F322-I353 HydrophobicContact CD1-CG1 4.45Å; F322-I353 HydrophobicContact CD1-CG2 4.42Å; F322-I353 HydrophobicContact CD2-CD1 3.44Å; F322-I353 VanDerWaalsContact CD2-CD1 3.44Å; F322-I353 HydrophobicContact CD2-CG1 4.04Å; F322-I353 HydrophobicContact CE1-CD1 4.5Å; F322-I353 HydrophobicContact CE1-CG1 4.32Å; F322-I353 HydrophobicContact CE1-CG2 4.43Å; F322-I353 HydrophobicContact CE2-CD1 3.82Å; F322-I353 HydrophobicContact CE2-CG1 3.88Å; F322-I353 HydrophobicContact CG-CD1 3.65Å; F322-I353 HydrophobicContact CG-CG1 4.33Å; F322-I353 HydrophobicContact CZ-CD1 4.34Å; F322-I353 HydrophobicContact CZ-CG1 4.03Å; L350-I353 WeakPolarHBondContact O-CB 3.44Å; L350-I353 WeakPolarHBondContact O-CG1 3.35Å; L350-I353 PolarHBondContact O-N 2.94Å; R351-I353 PolarHBondContact O-N 3.3Å; I353-V355 HydrophobicContact CG2-CG1 4.33Å; I353-V375 WeakPolarHBondContact O-CG2 3.47Å; I353-V375 PolarHBondContact O-N 2.89Å; I353-I432 HydrophobicContact CG2-CG1 4.33Å; I353-I432 HydrophobicContact CG2-CG2 3.73Å
354	R	95.9	Very high	92.8	Very high	70 Å²	70	67.8 Å²	67.8	26%	0.264	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	132.8	173.3	-59.3	-171.7	78	-174.9	15	109.3	E168 F373 L433 Q436	E168-R354 VanDerWaalsContact CD-NH2 3.31Å; E168-R354 IonicContact OE1-CZ 2.86Å; E168-R354 IonicContact OE1-NH1 3.77Å; E168-R354 PolarHBondContact OE1-NH1 2.86Å; E168-R354 IonicContact OE1-NH2 3.32Å; E168-R354 PolarHBondContact OE1-NH2 2.9Å; E168-R354 IonicContact OE2-CZ 2.64Å; E168-R354 IonicContact OE2-NH1 3.26Å; E168-R354 PolarHBondContact OE2-NH1 3.26Å; E168-R354 IonicContact OE2-NH2 2.74Å; E168-R354 PolarHBondContact OE2-NH2 3.11Å; R354-F373 WeakPolarHBondContact CA-O 3.45Å; R354-L433 HydrophobicContact CB-CD1 3.88Å; R354-L433 PolarHBondContact O-N 3.29Å; R354-Q436 PolarHBondContact O-NE2 3.12Å
355	V	97.2	Very high	92.2	Very high	0 Å²	0	70 Å²	70	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	152.6	179.1	-67.3	0	0	0	0	109	I353 R372 F373 V375 L430 N431 I432	I353-V355 HydrophobicContact CG2-CG1 4.33Å; V355-R372 CarbonylContact O-C 3.55Å; V355-R372 VanDerWaalsContact O-CA 3.27Å; V355-R372 WeakPolarHBondContact O-CA 3.2Å; V355-F373 HydrophobicContact CG2-CB 3.96Å; V355-F373 PolarHBondContact N-O 2.98Å; V355-F373 PolarHBondContact O-N 3.36Å; V355-V375 HydrophobicContact CG1-CG2 3.99Å; V355-V375 HydrophobicContact CG2-CG2 4.15Å; V355-L430 HydrophobicContact CB-CB 4.23Å; V355-L430 HydrophobicContact CB-CD2 4.1Å; V355-L430 HydrophobicContact CG2-CD1 4.09Å; V355-L430 HydrophobicContact CG2-CD2 3.72Å; V355-L430 HydrophobicContact CG2-CG 4.34Å; V355-N431 CarbonylContact C-O 3.48Å; V355-N431 WeakPolarHBondContact CA-O 3.37Å; V355-I432 HydrophobicContact CG1-CG1 4.12Å
356	E	95.9	Very high	91.6	Very high	35 Å²	35	67.2 Å²	67.2	16%	0.164	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	134.9	177.1	-176.1	170	155.7	0	0	108.9	S370 R371 R372 N431 L433	E356-S370 WeakPolarHBondContact OE1-CB 3.5Å; E356-S370 PolarHBondContact OE1-OG 3.44Å; E356-R371 WeakPolarHBondContact CA-O 3.46Å; E356-R372 HydrophobicContact CB-CG 3.91Å; E356-R372 HydrophobicContact CG-CG 4.01Å; E356-R372 IonicContact OE2-CZ 2.79Å; E356-R372 VanDerWaalsContact OE2-CZ 3.26Å; E356-R372 IonicContact OE2-NE 3.65Å; E356-R372 PolarHBondContact OE2-NE 2.86Å; E356-R372 IonicContact OE2-NH2 2.85Å; E356-R372 PolarHBondContact OE2-NH2 2.7Å; E356-N431 PolarHBondContact N-O 3.23Å; E356-N431 PolarHBondContact O-N 3.39Å; E356-L433 HydrophobicContact CB-CD2 3.88Å
357	T	96	Very high	91.1	Very high	4 Å²	4	71.5 Å²	71.5	3%	0.025	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	159.2	176.7	64	0	0	0	0	111.7	F360 Y361 S370 R371 F373 M425 L429 L430	T357-F360 HydrophobicContact CG2-CE1 4.15Å; T357-F360 HydrophobicContact CG2-CZ 4.16Å; T357-Y361 HydrophobicContact CG2-CE2 4.04Å; T357-S370 VanDerWaalsContact O-CB 3.25Å; T357-S370 WeakPolarHBondContact O-CB 3.38Å; T357-R371 PolarHBondContact N-O 2.84Å; T357-R371 PolarHBondContact OG1-N 3.44Å; T357-F373 HydrophobicContact CG2-CD2 4.02Å; T357-F373 HydrophobicContact CG2-CE2 3.6Å; T357-M425 HydrophobicContact CG2-CE 4.44Å; T357-M425 HydrophobicContact CG2-SD 4.48Å; T357-L429 VanDerWaalsContact CA-O 3.27Å; T357-L429 WeakPolarHBondContact CA-O 3.23Å; T357-L430 HydrophobicContact CG2-CD2 3.78Å
358	D	91.5	Very high	90.8	Very high	70 Å²	70	72.7 Å²	72.7	37%	0.374	35%	0.351	S	S	.	.			trans	-57.7	159.6	157.5	-61.8	-33.8	0	0	0	110.6	F360 L429 N431	D358-F360 VanDerWaalsContact C-N 3.34Å; D358-F360 HydrophobicContact CB-CD1 4.18Å; D358-F360 VanDerWaalsContact O-CD1 3.25Å; D358-F360 WeakPolarHBondContact O-CD1 3.4Å; D358-F360 PolarHBondContact O-N 3.25Å; D358-L429 PolarHBondContact N-O 3.04Å; D358-N431 PolarHBondContact OD1-ND2 3.21Å
359	K	91	Very high	90.7	Very high	145 Å²	145	67.8 Å²	67.8	63%	0.63	33%	0.328	S	S	*	.	S	Bend	trans	-79.3	81.1	-179.9	-67.1	-173.7	178.3	-173	0	110.7	A368	K359-A368 HydrophobicContact CB-CB 4.13Å
360	F	91.6	Very high	90.5	Very high	29 Å²	29	66.7 Å²	66.7	13%	0.127	32%	0.321	C	S	.	.			trans	-122.3	-9.1	176.2	64.6	-103	0	0	0	114.1	T357 D358 F399 H403 I405 M425 L429	T357-F360 HydrophobicContact CG2-CE1 4.15Å; T357-F360 HydrophobicContact CG2-CZ 4.16Å; D358-F360 VanDerWaalsContact C-N 3.34Å; D358-F360 HydrophobicContact CB-CD1 4.18Å; D358-F360 VanDerWaalsContact O-CD1 3.25Å; D358-F360 WeakPolarHBondContact O-CD1 3.4Å; D358-F360 PolarHBondContact O-N 3.25Å; F360-F399 AromaticContact CE2-CE1 3.8Å; F360-F399 HydrophobicContact CE2-CE1 3.8Å; F360-F399 AromaticContact CZ-CE1 3.79Å; F360-F399 HydrophobicContact CZ-CE1 3.79Å; F360-H403 HydrophobicContact CD2-CB 4.39Å; F360-H403 AromaticContact CD2-CG 3.98Å; F360-H403 AromaticContact CD2-ND1 3.77Å; F360-I405 HydrophobicContact CB-CD1 3.75Å; F360-I405 HydrophobicContact CD1-CD1 3.93Å; F360-I405 HydrophobicContact CD2-CD1 4.07Å; F360-I405 HydrophobicContact CG-CD1 3.66Å; F360-M425 HydrophobicContact CZ-SD 4.18Å; F360-L429 HydrophobicContact CE1-CB 4.21Å; F360-L429 HydrophobicContact CE1-CD1 4.28Å
361	Y	90.3	Very high	90.3	Very high	26 Å²	26	70.7 Å²	70.7	10%	0.102	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	142.8	172.1	-66.4	-77.9	0	0	0	110.2	T357 A368 Y369 R371 M425	T357-Y361 HydrophobicContact CG2-CE2 4.04Å; Y361-A368 CarbonylContact O-C 3.57Å; Y361-A368 VanDerWaalsContact O-CA 3.23Å; Y361-A368 WeakPolarHBondContact O-CA 3.09Å; Y361-Y369 VanDerWaalsContact CB-CE1 3.4Å; Y361-Y369 HydrophobicContact CD2-CE2 4.42Å; Y361-Y369 HydrophobicContact CG-CE2 4.11Å; Y361-Y369 PolarHBondContact N-O 3.48Å; Y361-Y369 VanDerWaalsContact O-CD1 3.28Å; Y361-Y369 WeakPolarHBondContact O-CD1 3.42Å; Y361-Y369 PolarHBondContact O-N 2.9Å; Y361-R371 HydrophobicContact CD2-CB 4.18Å; Y361-R371 HydrophobicContact CD2-CG 3.54Å; Y361-R371 HydrophobicContact CE2-CB 3.78Å; Y361-R371 HydrophobicContact CE2-CG 3.52Å; Y361-R371 HydrophobicContact CG-CG 4.19Å; Y361-R371 VanDerWaalsContact CZ-CD 3.47Å; Y361-M425 WeakPolarHBondContact OH-CE 3.42Å
362	K	88	Confident	90.3	Very high	154 Å²	154	68.3 Å²	68.3	67%	0.67	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	131.5	177.3	-63.7	-176.6	-179.8	179.1	0	110.6	D367 Y369	K362-D367 WeakPolarHBondContact CA-O 3.16Å; K362-Y369 VanDerWaalsContact C-CE1 3.45Å; K362-Y369 WeakPolarHBondContact O-CE1 3.35Å
363	N	82.7	Confident	90.3	Very high	39 Å²	39	62.6 Å²	62.6	21%	0.209	31%	0.307	C	S	.	.			trans	-78.9	-177.4	171.2	71.1	5	0	0	0	110.4	N365 G366 D367 Y369	N363-N365 PolarHBondContact O-N 3.33Å; N363-N365 WeakPolarHBondContact OD1-CA 3.31Å; N363-N365 WeakPolarHBondContact OD1-CB 3.33Å; N363-N365 PolarHBondContact OD1-N 3.44Å; N363-G366 PolarHBondContact O-N 3.17Å; N363-G366 PolarHBondContact OD1-N 3.2Å; N363-D367 PolarHBondContact N-O 2.87Å; N363-D367 VanDerWaalsContact N-O 3.08Å; N363-D367 PolarHBondContact ND2-OD2 2.82Å; N363-D367 VanDerWaalsContact ND2-OD2 3.13Å; N363-D367 PolarHBondContact OD1-N 3.32Å; N363-Y369 HydrophobicContact CB-CD1 4.14Å; N363-Y369 HydrophobicContact CB-CE1 4.24Å
364	E	79.5	Confident	90.2	Very high	192 Å²	192	64.6 Å²	64.6	90%	0.897	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-28.3	178.5	-66.9	174.8	-176.5	0	0	112.9	G366	E364-G366 VanDerWaalsContact C-N 3.33Å
365	N	80	Confident	90.3	Very high	136 Å²	136	61.2 Å²	61.2	73%	0.727	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-5.4	177.9	-59	-18.5	0	0	0	113.1	N363	N363-N365 PolarHBondContact O-N 3.33Å; N363-N365 WeakPolarHBondContact OD1-CA 3.31Å; N363-N365 WeakPolarHBondContact OD1-CB 3.33Å; N363-N365 PolarHBondContact OD1-N 3.44Å
366	G	82.5	Confident	90.2	Very high	43 Å²	43	65.1 Å²	65.1	44%	0.443	33%	0.325	S	S	.	.			trans	86.8	0.9	-175.8	0	0	0	0	0	115.4	N363 E364	N363-G366 PolarHBondContact O-N 3.17Å; N363-G366 PolarHBondContact OD1-N 3.2Å; E364-G366 VanDerWaalsContact C-N 3.33Å
367	D	85	Confident	90.2	Very high	90 Å²	90	64 Å²	64	48%	0.481	32%	0.323	S	S	.	.			trans	-70.3	138.9	179.6	-54.6	-55.6	0	0	0	111.8	K362 N363	K362-D367 WeakPolarHBondContact CA-O 3.16Å; N363-D367 PolarHBondContact N-O 2.87Å; N363-D367 VanDerWaalsContact N-O 3.08Å; N363-D367 PolarHBondContact ND2-OD2 2.82Å; N363-D367 VanDerWaalsContact ND2-OD2 3.13Å; N363-D367 PolarHBondContact OD1-N 3.32Å
368	A	89.9	Confident	90.2	Very high	54 Å²	54	64.9 Å²	64.9	45%	0.446	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	125.3	179	0	0	0	0	0	112.1	K359 Y361	K359-A368 HydrophobicContact CB-CB 4.13Å; Y361-A368 CarbonylContact O-C 3.57Å; Y361-A368 VanDerWaalsContact O-CA 3.23Å; Y361-A368 WeakPolarHBondContact O-CA 3.09Å
369	Y	90.7	Very high	90.4	Very high	23 Å²	23	61.6 Å²	61.6	9%	0.09	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	159.4	-179.3	76	-93.5	0	0	0	112.3	L216 G217 R218 Y361 K362 N363 R371	L216-Y369 WeakPolarHBondContact O-CB 3.49Å; G217-Y369 VanDerWaalsContact O-CB 3.31Å; G217-Y369 WeakPolarHBondContact O-CB 3.15Å; R218-Y369 HydrophobicContact CB-CD2 3.56Å; R218-Y369 HydrophobicContact CB-CE2 3.94Å; R218-Y369 HydrophobicContact CB-CG 3.98Å; R218-Y369 HydrophobicContact CG-CD2 3.69Å; R218-Y369 HydrophobicContact CG-CE1 4.33Å; R218-Y369 HydrophobicContact CG-CE2 3.52Å; R218-Y369 HydrophobicContact CG-CG 4.2Å; Y361-Y369 VanDerWaalsContact CB-CE1 3.4Å; Y361-Y369 HydrophobicContact CD2-CE2 4.42Å; Y361-Y369 HydrophobicContact CG-CE2 4.11Å; Y361-Y369 PolarHBondContact N-O 3.48Å; Y361-Y369 VanDerWaalsContact O-CD1 3.28Å; Y361-Y369 WeakPolarHBondContact O-CD1 3.42Å; Y361-Y369 PolarHBondContact O-N 2.9Å; K362-Y369 VanDerWaalsContact C-CE1 3.45Å; K362-Y369 WeakPolarHBondContact O-CE1 3.35Å; N363-Y369 HydrophobicContact CB-CD1 4.14Å; N363-Y369 HydrophobicContact CB-CE1 4.24Å; Y369-R371 HydrophobicContact CD2-CG 4.16Å; Y369-R371 HydrophobicContact CE2-CG 3.62Å
370	S	92.5	Very high	90.5	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.007	32%	0.315	C	S	.	.			trans	-101.6	159	178.2	64.4	0	0	0	0	111.2	L216 E356 T357	L216-S370 WeakPolarHBondContact CB-O 3.12Å; L216-S370 PolarHBondContact O-N 3.38Å; E356-S370 WeakPolarHBondContact OE1-CB 3.5Å; E356-S370 PolarHBondContact OE1-OG 3.44Å; T357-S370 VanDerWaalsContact O-CB 3.25Å; T357-S370 WeakPolarHBondContact O-CB 3.38Å
371	R	92.1	Very high	90.6	Very high	84 Å²	84	61.4 Å²	61.4	32%	0.317	33%	0.327	S	S	.	.			trans	-122.9	135.3	171.8	-66.2	-178.6	95.5	-173.9	8	109.8	E356 T357 Y361 Y369 F373	E356-R371 WeakPolarHBondContact CA-O 3.46Å; T357-R371 PolarHBondContact N-O 2.84Å; T357-R371 PolarHBondContact OG1-N 3.44Å; Y361-R371 HydrophobicContact CD2-CB 4.18Å; Y361-R371 HydrophobicContact CD2-CG 3.54Å; Y361-R371 HydrophobicContact CE2-CB 3.78Å; Y361-R371 HydrophobicContact CE2-CG 3.52Å; Y361-R371 HydrophobicContact CG-CG 4.19Å; Y361-R371 VanDerWaalsContact CZ-CD 3.47Å; Y369-R371 HydrophobicContact CD2-CG 4.16Å; Y369-R371 HydrophobicContact CE2-CG 3.62Å; R371-F373 HydrophobicContact CB-CD2 4.39Å; R371-F373 HydrophobicContact CB-CE1 4.47Å; R371-F373 HydrophobicContact CB-CE2 3.55Å; R371-F373 HydrophobicContact CB-CZ 3.6Å; R371-F373 HydrophobicContact CG-CZ 4.48Å
372	R	93	Very high	90.9	Very high	85 Å²	85	60.9 Å²	60.9	32%	0.321	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	133	171.3	-83.6	173.4	-166.9	156.1	7.5	110.9	L216 V355 E356 L433	L216-R372 HydrophobicContact CD2-CB 4.1Å; L216-R372 HydrophobicContact CD2-CG 3.6Å; V355-R372 CarbonylContact O-C 3.55Å; V355-R372 VanDerWaalsContact O-CA 3.27Å; V355-R372 WeakPolarHBondContact O-CA 3.2Å; E356-R372 HydrophobicContact CB-CG 3.91Å; E356-R372 HydrophobicContact CG-CG 4.01Å; E356-R372 IonicContact OE2-CZ 2.79Å; E356-R372 VanDerWaalsContact OE2-CZ 3.26Å; E356-R372 IonicContact OE2-NE 3.65Å; E356-R372 PolarHBondContact OE2-NE 2.86Å; E356-R372 IonicContact OE2-NH2 2.85Å; E356-R372 PolarHBondContact OE2-NH2 2.7Å; R372-L433 HydrophobicContact CG-CD1 4.41Å
373	F	94.6	Very high	91.3	Very high	31 Å²	31	53.6 Å²	53.6	14%	0.136	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	164.1	176.2	-60.7	-72.4	0	0	0	110.8	R354 V355 T357 R371 V417 M425 L430	R354-F373 WeakPolarHBondContact CA-O 3.45Å; V355-F373 HydrophobicContact CG2-CB 3.96Å; V355-F373 PolarHBondContact N-O 2.98Å; V355-F373 PolarHBondContact O-N 3.36Å; T357-F373 HydrophobicContact CG2-CD2 4.02Å; T357-F373 HydrophobicContact CG2-CE2 3.6Å; R371-F373 HydrophobicContact CB-CD2 4.39Å; R371-F373 HydrophobicContact CB-CE1 4.47Å; R371-F373 HydrophobicContact CB-CE2 3.55Å; R371-F373 HydrophobicContact CB-CZ 3.6Å; R371-F373 HydrophobicContact CG-CZ 4.48Å; F373-V417 HydrophobicContact CB-CB 3.78Å; F373-V417 HydrophobicContact CB-CG1 3.69Å; F373-V417 HydrophobicContact CD1-CB 3.7Å; F373-V417 HydrophobicContact CD1-CG1 4.26Å; F373-V417 HydrophobicContact CD1-CG2 3.95Å; F373-V417 HydrophobicContact CD2-CG1 4.2Å; F373-V417 HydrophobicContact CE1-CB 4.42Å; F373-V417 HydrophobicContact CE1-CG2 4.18Å; F373-V417 HydrophobicContact CG-CB 3.75Å; F373-V417 HydrophobicContact CG-CG1 3.8Å; F373-V417 HydrophobicContact CG-CG2 4.32Å; F373-M425 HydrophobicContact CE2-CE 3.88Å; F373-M425 HydrophobicContact CZ-CE 4.14Å; F373-L430 HydrophobicContact CD2-CD2 4.31Å
374	T	95.2	Very high	92	Very high	45 Å²	45	54.9 Å²	54.9	28%	0.276	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	130.3	167.6	-61.3	0	0	0	0	107.6	R352 H376	R352-T374 HydrophobicContact CB-CG2 4.25Å; T374-H376 PolarHBondContact O-CD2 3.4Å; T374-H376 PolarHBondContact O-N 3.28Å
375	V	96.7	Very high	92.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.29	C	S	.	.			trans	-69.5	120.9	178.6	178.4	0	0	0	0	110	L350 R352 I353 V355 V415	L350-V375 HydrophobicContact CB-CB 4.29Å; L350-V375 HydrophobicContact CB-CG1 3.71Å; L350-V375 HydrophobicContact CB-CG2 4.48Å; L350-V375 VanDerWaalsContact O-CB 3.32Å; L350-V375 WeakPolarHBondContact O-CB 3.33Å; R352-V375 PolarHBondContact N-O 2.9Å; I353-V375 WeakPolarHBondContact O-CG2 3.47Å; I353-V375 PolarHBondContact O-N 2.89Å; V355-V375 HydrophobicContact CG1-CG2 3.99Å; V355-V375 HydrophobicContact CG2-CG2 4.15Å; V375-V415 HydrophobicContact CB-CG1 4.14Å; V375-V415 HydrophobicContact CG1-CG1 3.82Å; V375-V415 HydrophobicContact CG2-CG1 3.74Å
376	H	95.9	Very high	93.5	Very high	81 Å²	81	47 Å²	47	38%	0.375	26%	0.26	S	S	.	.			trans	-109.3	-14.9	179.1	-73.9	-69	0	0	0	113.7	T374 K416	T374-H376 PolarHBondContact O-CD2 3.4Å; T374-H376 PolarHBondContact O-N 3.28Å; H376-K416 HydrophobicContact CB-CG 4.5Å; H376-K416 PolarHBondContact N-O 3.32Å
377	G	95.9	Very high	94.2	Very high	12 Å²	12	49.2 Å²	49.2	12%	0.124	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.8	-176.2	177	0	0	0	0	0	111.8	K416	G377-K416 PolarHBondContact N-O 3.48Å; G377-K416 PolarHBondContact O-N 3.44Å
378	I	96.5	Very high	94.6	Very high	22 Å²	22	47.1 Å²	47.1	11%	0.113	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	139.6	176.7	-57.4	-66.5	0	0	0	107.4	M346 A347 L350 P413 C414 V415	M346-I378 HydrophobicContact CB-CG1 4.06Å; M346-I378 HydrophobicContact CE-CG2 4.26Å; A347-I378 HydrophobicContact CB-CB 4.17Å; A347-I378 HydrophobicContact CB-CG1 3.92Å; L350-I378 HydrophobicContact CD1-CD1 3.79Å; L350-I378 HydrophobicContact CD1-CG1 4.49Å; I378-P413 HydrophobicContact CG2-CB 3.69Å; I378-P413 HydrophobicContact CG2-CG 3.84Å; I378-C414 CarbonylContact C-O 3.46Å; I378-C414 WeakPolarHBondContact CA-O 3.41Å; I378-V415 HydrophobicContact CD1-CG2 4.03Å
379	S	95.8	Very high	94.6	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.014	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	149.9	176.4	64.2	0	0	0	0	111.1	S343 V381 P413 C414	S343-S379 WeakPolarHBondContact CB-O 3.44Å; S379-V381 VanDerWaalsContact C-N 3.3Å; S379-V381 WeakPolarHBondContact CB-O 3.22Å; S379-V381 PolarHBondContact OG-O 3.37Å; S379-P413 WeakPolarHBondContact O-CB 3.45Å; S379-C414 PolarHBondContact N-O 2.97Å; S379-C414 PolarHBondContact OG-N 3.08Å; S379-C414 PolarHBondContact OG-O 3.35Å
380	S	91.1	Very high	94.5	Very high	107 Å²	107	60 Å²	60	75%	0.748	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	-14.3	174.5	52.1	0	0	0	0	113.3
381	V	94.2	Very high	94.4	Very high	62 Å²	62	66.1 Å²	66.1	38%	0.376	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	156.4	-179.5	-64.3	0	0	0	0	110.5	S379 L386	S379-V381 VanDerWaalsContact C-N 3.3Å; S379-V381 WeakPolarHBondContact CB-O 3.22Å; S379-V381 PolarHBondContact OG-O 3.37Å; V381-L386 HydrophobicContact CG2-CB 3.84Å; V381-L386 HydrophobicContact CG2-CD1 3.57Å; V381-L386 HydrophobicContact CG2-CG 4.26Å
382	S	96.4	Very high	94.4	Very high	16 Å²	16	70.8 Å²	70.8	11%	0.112	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	159.9	-179.5	49.3	0	0	0	0	113.2	D384 K385 L386 D411 L412	S382-D384 VanDerWaalsContact C-N 3.29Å; S382-D384 WeakPolarHBondContact CB-OD1 3.28Å; S382-D384 PolarHBondContact O-N 3.37Å; S382-D384 PolarHBondContact OG-OD1 3.26Å; S382-K385 CarbonylContact O-C 3.35Å; S382-K385 PolarHBondContact O-N 3.46Å; S382-K385 WeakPolarHBondContact OG-CD 3.23Å; S382-L386 VanDerWaalsContact O-CB 3.32Å; S382-L386 WeakPolarHBondContact O-CB 3.36Å; S382-L386 PolarHBondContact O-N 3.04Å; S382-D411 WeakPolarHBondContact CB-O 3.26Å; S382-L412 CarbonylContact C-O 3.38Å; S382-L412 WeakPolarHBondContact CA-O 3.43Å
383	A	96.7	Very high	94.5	Very high	1 Å²	1	68 Å²	68	1%	0.008	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-34.2	-176	0	0	0	0	0	113.6	K385 V395 A396 L407 P410 L412 C414	A383-K385 VanDerWaalsContact C-N 3.26Å; A383-K385 PolarHBondContact O-N 3.22Å; A383-V395 PolarHBondContact O-N 3.02Å; A383-A396 HydrophobicContact CB-CB 4.35Å; A383-A396 PolarHBondContact O-N 2.99Å; A383-L407 HydrophobicContact CB-CD1 3.81Å; A383-P410 WeakPolarHBondContact CB-O 3.45Å; A383-P410 PolarHBondContact N-O 2.9Å; A383-L412 PolarHBondContact N-O 3.42Å; A383-C414 WeakPolarHBondContact CB-SG 3.45Å
384	D	96.9	Very high	94.7	Very high	65 Å²	65	67.4 Å²	67.4	35%	0.348	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-22.3	174.4	65.2	-22.7	0	0	0	114.1	S382 S394 A396 P410	S382-D384 VanDerWaalsContact C-N 3.29Å; S382-D384 WeakPolarHBondContact CB-OD1 3.28Å; S382-D384 PolarHBondContact O-N 3.37Å; S382-D384 PolarHBondContact OG-OD1 3.26Å; D384-S394 WeakPolarHBondContact O-CB 3.31Å; D384-S394 PolarHBondContact O-OG 2.92Å; D384-A396 HydrophobicContact CB-CB 4.43Å; D384-P410 HydrophobicContact CB-CB 4.23Å; D384-P410 PolarHBondContact N-O 3.39Å
385	K	96.5	Very high	94.7	Very high	142 Å²	142	65.5 Å²	65.5	62%	0.617	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	-16.2	-177.1	-67.1	170	-164.4	165.6	0	113.7	S382 A383 M387	S382-K385 CarbonylContact O-C 3.35Å; S382-K385 PolarHBondContact O-N 3.46Å; S382-K385 WeakPolarHBondContact OG-CD 3.23Å; A383-K385 VanDerWaalsContact C-N 3.26Å; A383-K385 PolarHBondContact O-N 3.22Å; K385-M387 PolarHBondContact O-N 2.97Å
386	L	96.4	Very high	94.8	Very high	20 Å²	20	66.2 Å²	66.2	11%	0.105	33%	0.33	C	S	.	.			trans	-74.5	106	-179.8	-176	58.3	0	0	0	109.8	V381 S382 S394 V395 C414 Y424	V381-L386 HydrophobicContact CG2-CB 3.84Å; V381-L386 HydrophobicContact CG2-CD1 3.57Å; V381-L386 HydrophobicContact CG2-CG 4.26Å; S382-L386 VanDerWaalsContact O-CB 3.32Å; S382-L386 WeakPolarHBondContact O-CB 3.36Å; S382-L386 PolarHBondContact O-N 3.04Å; L386-S394 CarbonylContact O-C 3.59Å; L386-S394 VanDerWaalsContact O-CA 3.25Å; L386-S394 WeakPolarHBondContact O-CA 3.38Å; L386-V395 HydrophobicContact CB-CG2 4.11Å; L386-V395 HydrophobicContact CD2-CG2 3.88Å; L386-V395 HydrophobicContact CG-CG2 3.9Å; L386-V395 PolarHBondContact O-N 2.94Å; L386-C414 HydrophobicContact CD2-CB 3.79Å; L386-Y424 HydrophobicContact CD1-CE2 4.43Å; L386-Y424 HydrophobicContact CD2-CD1 3.94Å; L386-Y424 HydrophobicContact CD2-CD2 3.91Å; L386-Y424 HydrophobicContact CD2-CE1 4.45Å; L386-Y424 HydrophobicContact CD2-CE2 4.41Å; L386-Y424 HydrophobicContact CD2-CG 3.63Å
387	M	95.9	Very high	94.8	Very high	91 Å²	91	64.3 Å²	64.3	45%	0.448	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	136.2	-176.2	-64.1	-58.3	-68.3	0	0	112.7	K385 K392	K385-M387 PolarHBondContact O-N 2.97Å; M387-K392 VanDerWaalsContact CE-C 3.46Å
388	I	93.6	Very high	94.9	Very high	46 Å²	46	66.3 Å²	66.3	24%	0.236	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	96.2	163.8	-54.7	173.8	0	0	0	106.7	E390 R391 K392 Q393 V395 Y398	I388-E390 VanDerWaalsContact C-N 3.26Å; I388-E390 PolarHBondContact O-N 3.16Å; I388-E390 VanDerWaalsContact O-N 3.16Å; I388-R391 HydrophobicContact CB-CB 4.45Å; I388-R391 HydrophobicContact CG2-CB 4.18Å; I388-R391 HydrophobicContact CG2-CG 4.26Å; I388-R391 CarbonylContact O-C 3.59Å; I388-R391 PolarHBondContact O-N 3.5Å; I388-K392 PolarHBondContact O-N 3.41Å; I388-Q393 PolarHBondContact N-O 3.28Å; I388-V395 HydrophobicContact CD1-CG2 4.28Å; I388-V395 HydrophobicContact CG1-CG2 4Å; I388-Y398 HydrophobicContact CD1-CD1 4.19Å; I388-Y398 HydrophobicContact CD1-CD2 3.87Å; I388-Y398 HydrophobicContact CD1-CG 3.59Å
389	E	89.7	Confident	94.9	Very high	153 Å²	153	65.6 Å²	65.6	72%	0.715	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-51.2	-42.5	-172.5	-63.9	-57	138	0	0	113.6	R391 K392	E389-R391 PolarHBondContact O-N 3.43Å; E389-K392 PolarHBondContact O-N 2.87Å
390	E	89.1	Confident	94.9	Very high	193 Å²	193	69.3 Å²	69.3	90%	0.902	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-63.3	-27.5	-179.7	-63.8	176.5	-175.9	0	0	113.2	I388	I388-E390 VanDerWaalsContact C-N 3.26Å; I388-E390 PolarHBondContact O-N 3.16Å; I388-E390 VanDerWaalsContact O-N 3.16Å
391	R	90	Very high	95.1	Very high	130 Å²	130	69.8 Å²	69.8	49%	0.491	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-109.8	-5.2	-177.3	-65.6	-173.2	172.2	-88.3	-0.3	113.8	I388 E389 Q393	I388-R391 HydrophobicContact CB-CB 4.45Å; I388-R391 HydrophobicContact CG2-CB 4.18Å; I388-R391 HydrophobicContact CG2-CG 4.26Å; I388-R391 CarbonylContact O-C 3.59Å; I388-R391 PolarHBondContact O-N 3.5Å; E389-R391 PolarHBondContact O-N 3.43Å; R391-Q393 HydrophobicContact CB-CG 3.73Å; R391-Q393 PolarHBondContact O-N 3.12Å; R391-Q393 VanDerWaalsContact O-N 3.16Å
392	K	92.9	Very high	95.1	Very high	182 Å²	182	70.3 Å²	70.3	79%	0.791	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	36.9	-176.6	-59.9	-177.1	178.4	179.7	0	113.8	M387 I388 E389	M387-K392 VanDerWaalsContact CE-C 3.46Å; I388-K392 PolarHBondContact O-N 3.41Å; E389-K392 PolarHBondContact O-N 2.87Å
393	Q	95.4	Very high	94.9	Very high	28 Å²	28	71.6 Å²	71.6	13%	0.131	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	157	177.2	60.3	175.6	-61.7	0	0	110.6	I388 R391 A397 E401 H402	I388-Q393 PolarHBondContact N-O 3.28Å; R391-Q393 HydrophobicContact CB-CG 3.73Å; R391-Q393 PolarHBondContact O-N 3.12Å; R391-Q393 VanDerWaalsContact O-N 3.16Å; Q393-A397 HydrophobicContact CB-CB 4.31Å; Q393-E401 PolarHBondContact NE2-OE2 3.18Å; Q393-E401 PolarHBondContact OE1-OE2 3.49Å; Q393-H402 PolarHBondContact NE2-NE2 2.96Å
394	S	97.1	Very high	94.8	Very high	18 Å²	18	79 Å²	79	13%	0.126	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	160.2	176.1	68.1	0	0	0	0	111.5	D384 L386 A396 A397 Y398	D384-S394 WeakPolarHBondContact O-CB 3.31Å; D384-S394 PolarHBondContact O-OG 2.92Å; L386-S394 CarbonylContact O-C 3.59Å; L386-S394 VanDerWaalsContact O-CA 3.25Å; L386-S394 WeakPolarHBondContact O-CA 3.38Å; S394-A396 VanDerWaalsContact C-N 3.26Å; S394-A396 PolarHBondContact O-N 3.23Å; S394-A397 PolarHBondContact O-N 3.2Å; S394-A397 PolarHBondContact OG-N 2.74Å; S394-Y398 WeakPolarHBondContact O-CB 3.3Å; S394-Y398 PolarHBondContact O-N 3.32Å
395	V	96.9	Very high	94.7	Very high	5 Å²	5	77.6 Å²	77.6	3%	0.03	37%	0.367	C	S	.	.	H	α-helix	trans	-57.4	-42.2	174.3	172.3	0	0	0	0	110.6	A383 L386 I388 A397 Y398 F399 P426	A383-V395 PolarHBondContact O-N 3.02Å; L386-V395 HydrophobicContact CB-CG2 4.11Å; L386-V395 HydrophobicContact CD2-CG2 3.88Å; L386-V395 HydrophobicContact CG-CG2 3.9Å; L386-V395 PolarHBondContact O-N 2.94Å; I388-V395 HydrophobicContact CD1-CG2 4.28Å; I388-V395 HydrophobicContact CG1-CG2 4Å; V395-A397 PolarHBondContact O-N 2.92Å; V395-Y398 PolarHBondContact O-N 3.2Å; V395-F399 HydrophobicContact CG1-CD2 3.82Å; V395-F399 HydrophobicContact CG1-CE2 3.87Å; V395-F399 WeakPolarHBondContact O-CD2 3.14Å; V395-F399 PolarHBondContact O-N 3.41Å; V395-F399 VanDerWaalsContact O-N 3.1Å; V395-P426 HydrophobicContact CG1-CG 3.87Å
396	A	97.4	Very high	94.8	Very high	15 Å²	15	79 Å²	79	12%	0.124	37%	0.373	C	S	.	.	H	α-helix	trans	-60.1	-46.4	176.9	0	0	0	0	0	112.5	A383 D384 S394 Y398 F399 D400 L407 P410	A383-A396 HydrophobicContact CB-CB 4.35Å; A383-A396 PolarHBondContact O-N 2.99Å; D384-A396 HydrophobicContact CB-CB 4.43Å; S394-A396 VanDerWaalsContact C-N 3.26Å; S394-A396 PolarHBondContact O-N 3.23Å; A396-Y398 VanDerWaalsContact C-N 3.31Å; A396-Y398 PolarHBondContact O-N 3.2Å; A396-F399 PolarHBondContact O-N 3.13Å; A396-D400 PolarHBondContact O-N 3.01Å; A396-L407 HydrophobicContact CB-CD1 3.83Å; A396-P410 HydrophobicContact CB-CB 4.34Å
397	A	97.3	Very high	94.8	Very high	41 Å²	41	78.8 Å²	78.8	34%	0.339	37%	0.372	S	S	.	.	H	α-helix	trans	-62.6	-38.6	176.9	0	0	0	0	0	111.9	Q393 S394 V395 F399 D400 E401	Q393-A397 HydrophobicContact CB-CB 4.31Å; S394-A397 PolarHBondContact O-N 3.2Å; S394-A397 PolarHBondContact OG-N 2.74Å; V395-A397 PolarHBondContact O-N 2.92Å; A397-F399 PolarHBondContact O-N 3.09Å; A397-D400 PolarHBondContact O-N 3.37Å; A397-E401 WeakPolarHBondContact O-CB 3.43Å; A397-E401 PolarHBondContact O-N 3.42Å
398	Y	96.8	Very high	94.8	Very high	54 Å²	54	82.4 Å²	82.4	21%	0.212	39%	0.385	C	S	.	.	H	α-helix	trans	-62.3	-43.3	178.2	173.3	-88.8	0	0	0	112.8	I388 S394 V395 A396 H402 H403	I388-Y398 HydrophobicContact CD1-CD1 4.19Å; I388-Y398 HydrophobicContact CD1-CD2 3.87Å; I388-Y398 HydrophobicContact CD1-CG 3.59Å; S394-Y398 WeakPolarHBondContact O-CB 3.3Å; S394-Y398 PolarHBondContact O-N 3.32Å; V395-Y398 PolarHBondContact O-N 3.2Å; A396-Y398 VanDerWaalsContact C-N 3.31Å; A396-Y398 PolarHBondContact O-N 3.2Å; Y398-H402 AromaticContact CD2-CD2 3.43Å; Y398-H402 VanDerWaalsContact CD2-CD2 3.43Å; Y398-H402 WeakPolarHBondContact CD2-CD2 3.19Å; Y398-H402 HydrophobicContact CE2-CB 4.18Å; Y398-H402 AromaticContact CE2-CD2 3.65Å; Y398-H402 AromaticContact CE2-CG 3.81Å; Y398-H402 WeakPolarHBondContact O-CB 3.48Å; Y398-H402 PolarHBondContact O-CD2 3.08Å; Y398-H402 PolarHBondContact O-N 3.41Å; Y398-H403 AromaticContact CE1-CD2 3.83Å; Y398-H403 AromaticContact CE1-NE2 3.78Å
399	F	96.4	Very high	94.9	Very high	6 Å²	6	85.5 Å²	85.5	3%	0.026	40%	0.395	C	S	.	.	H	α-helix	trans	-69.9	-33.1	177.9	-84.8	-88	0	0	0	112.4	F360 V395 A396 A397 H403 H404 I405 L407 M425 P426 L429	F360-F399 AromaticContact CE2-CE1 3.8Å; F360-F399 HydrophobicContact CE2-CE1 3.8Å; F360-F399 AromaticContact CZ-CE1 3.79Å; F360-F399 HydrophobicContact CZ-CE1 3.79Å; V395-F399 HydrophobicContact CG1-CD2 3.82Å; V395-F399 HydrophobicContact CG1-CE2 3.87Å; V395-F399 WeakPolarHBondContact O-CD2 3.14Å; V395-F399 PolarHBondContact O-N 3.41Å; V395-F399 VanDerWaalsContact O-N 3.1Å; A396-F399 PolarHBondContact O-N 3.13Å; A397-F399 PolarHBondContact O-N 3.09Å; F399-H403 HydrophobicContact CD1-CB 4.23Å; F399-H403 AromaticContact CD1-CD2 3.65Å; F399-H403 AromaticContact CE1-CD2 3.71Å; F399-H403 CarbonylContact O-C 3.58Å; F399-H403 WeakPolarHBondContact O-CA 3.46Å; F399-H403 WeakPolarHBondContact O-CB 3.23Å; F399-H403 PolarHBondContact O-N 3.19Å; F399-H403 VanDerWaalsContact O-N 3.14Å; F399-H404 PolarHBondContact O-N 3.05Å; F399-H404 VanDerWaalsContact O-N 3.1Å; F399-I405 CarbonylContact C-O 3.49Å; F399-I405 HydrophobicContact CB-CB 4.46Å; F399-I405 HydrophobicContact CD1-CD1 4.46Å; F399-I405 PolarHBondContact O-N 3.26Å; F399-L407 HydrophobicContact CB-CD2 4.38Å; F399-M425 HydrophobicContact CE1-SD 3.86Å; F399-M425 HydrophobicContact CE2-SD 4.27Å; F399-M425 HydrophobicContact CZ-CE 4.15Å; F399-M425 HydrophobicContact CZ-SD 3.33Å; F399-M425 WeakPolarHBondContact CZ-SD 3.18Å; F399-P426 HydrophobicContact CD2-CG 3.79Å; F399-P426 HydrophobicContact CE2-CG 3.87Å; F399-P426 HydrophobicContact CG-CG 4.3Å; F399-P426 HydrophobicContact CZ-CG 4.43Å; F399-L429 HydrophobicContact CD1-CD1 3.53Å; F399-L429 HydrophobicContact CE1-CD1 3.69Å; F399-L429 HydrophobicContact CG-CD1 4.2Å; F399-L429 HydrophobicContact CZ-CD1 4.49Å
400	D	96.9	Very high	95.2	Very high	81 Å²	81	80.3 Å²	80.3	43%	0.433	38%	0.375	S	S	.	.	H	α-helix	trans	-68.3	-48.7	174.2	-164.3	18.2	0	0	0	111.3	A396 A397 H404 I405	A396-D400 PolarHBondContact O-N 3.01Å; A397-D400 PolarHBondContact O-N 3.37Å; D400-H404 WeakPolarHBondContact O-CA 3.31Å; D400-H404 PolarHBondContact O-N 2.83Å; D400-H404 VanDerWaalsContact O-N 3.13Å; D400-I405 WeakPolarHBondContact CA-O 3.44Å; D400-I405 PolarHBondContact N-O 2.92Å
401	E	95.4	Very high	95.5	Very high	117 Å²	117	75.6 Å²	75.6	55%	0.547	36%	0.356	S	S	.	.	H	α-helix	trans	-69.6	-50.2	-177.7	-172.8	-172.4	-166.5	0	0	112.8	Q393 A397	Q393-E401 PolarHBondContact NE2-OE2 3.18Å; Q393-E401 PolarHBondContact OE1-OE2 3.49Å; A397-E401 WeakPolarHBondContact O-CB 3.43Å; A397-E401 PolarHBondContact O-N 3.42Å
402	H	92.7	Very high	95.8	Very high	72 Å²	72	70.1 Å²	70.1	33%	0.333	34%	0.336	S	S	.	.	H	α-helix	trans	-95.8	-22.4	-168.7	-65.3	-81.2	0	0	0	114.1	Q393 Y398	Q393-H402 PolarHBondContact NE2-NE2 2.96Å; Y398-H402 AromaticContact CD2-CD2 3.43Å; Y398-H402 VanDerWaalsContact CD2-CD2 3.43Å; Y398-H402 WeakPolarHBondContact CD2-CD2 3.19Å; Y398-H402 HydrophobicContact CE2-CB 4.18Å; Y398-H402 AromaticContact CE2-CD2 3.65Å; Y398-H402 AromaticContact CE2-CG 3.81Å; Y398-H402 WeakPolarHBondContact O-CB 3.48Å; Y398-H402 PolarHBondContact O-CD2 3.08Å; Y398-H402 PolarHBondContact O-N 3.41Å
403	H	92.6	Very high	96	Very high	44 Å²	44	61.7 Å²	61.7	20%	0.204	30%	0.3	C	S	.	.	H	α-helix	trans	-117.7	-5	179.8	-66	-62.7	0	0	0	113.2	F360 Y398 F399 I405	F360-H403 HydrophobicContact CD2-CB 4.39Å; F360-H403 AromaticContact CD2-CG 3.98Å; F360-H403 AromaticContact CD2-ND1 3.77Å; Y398-H403 AromaticContact CE1-CD2 3.83Å; Y398-H403 AromaticContact CE1-NE2 3.78Å; F399-H403 HydrophobicContact CD1-CB 4.23Å; F399-H403 AromaticContact CD1-CD2 3.65Å; F399-H403 AromaticContact CE1-CD2 3.71Å; F399-H403 CarbonylContact O-C 3.58Å; F399-H403 WeakPolarHBondContact O-CA 3.46Å; F399-H403 WeakPolarHBondContact O-CB 3.23Å; F399-H403 PolarHBondContact O-N 3.19Å; F399-H403 VanDerWaalsContact O-N 3.14Å; H403-I405 HydrophobicContact CB-CD1 3.93Å; H403-I405 HydrophobicContact CB-CG1 4.07Å; H403-I405 PolarHBondContact O-N 3.37Å
404	H	94.1	Very high	96.1	Very high	157 Å²	157	60.3 Å²	60.3	73%	0.727	29%	0.293	S	S	*	.			trans	57.1	35.8	-175.1	-49.6	-52.1	0	0	0	112.7	F399 D400	F399-H404 PolarHBondContact O-N 3.05Å; F399-H404 VanDerWaalsContact O-N 3.1Å; D400-H404 WeakPolarHBondContact O-CA 3.31Å; D400-H404 PolarHBondContact O-N 2.83Å; D400-H404 VanDerWaalsContact O-N 3.13Å
405	I	96	Very high	96.1	Very high	34 Å²	34	59.5 Å²	59.5	17%	0.174	29%	0.287	C	S	.	.			trans	-113.9	103.9	179.9	-60.4	173.5	0	0	0	108.9	F360 F399 D400 H403 L407 L429	F360-I405 HydrophobicContact CB-CD1 3.75Å; F360-I405 HydrophobicContact CD1-CD1 3.93Å; F360-I405 HydrophobicContact CD2-CD1 4.07Å; F360-I405 HydrophobicContact CG-CD1 3.66Å; F399-I405 CarbonylContact C-O 3.49Å; F399-I405 HydrophobicContact CB-CB 4.46Å; F399-I405 HydrophobicContact CD1-CD1 4.46Å; F399-I405 PolarHBondContact O-N 3.26Å; D400-I405 WeakPolarHBondContact CA-O 3.44Å; D400-I405 PolarHBondContact N-O 2.92Å; H403-I405 HydrophobicContact CB-CD1 3.93Å; H403-I405 HydrophobicContact CB-CG1 4.07Å; H403-I405 PolarHBondContact O-N 3.37Å; I405-L407 HydrophobicContact CG2-CD2 4.13Å; I405-L407 PolarHBondContact O-N 3.26Å; I405-L429 HydrophobicContact CD1-CD1 4.27Å; I405-L429 HydrophobicContact CG2-CD1 4.25Å; I405-L429 HydrophobicContact CG2-CD2 3.93Å
406	K	97.2	Very high	96.1	Very high	171 Å²	171	60.9 Å²	60.9	74%	0.743	29%	0.293	S	S	*	.			trans	-78	113.5	167.1	-172.2	173.1	-175.1	174.4	0	109.6
407	L	96.9	Very high	96	Very high	16 Å²	16	60.7 Å²	60.7	8%	0.084	29%	0.291	C	S	.	.			trans	-64.6	139	-177.4	-57.8	-179.2	0	0	0	111.7	A383 A396 F399 I405 P410 P426 E428 L429	A383-L407 HydrophobicContact CB-CD1 3.81Å; A396-L407 HydrophobicContact CB-CD1 3.83Å; F399-L407 HydrophobicContact CB-CD2 4.38Å; I405-L407 HydrophobicContact CG2-CD2 4.13Å; I405-L407 PolarHBondContact O-N 3.26Å; L407-P410 HydrophobicContact CB-CB 4.31Å; L407-P426 HydrophobicContact CD1-CB 3.99Å; L407-P426 HydrophobicContact CD1-CG 3.78Å; L407-P426 HydrophobicContact CD2-CB 3.9Å; L407-P426 HydrophobicContact CD2-CG 3.88Å; L407-E428 WeakPolarHBondContact CA-OE1 3.35Å; L407-E428 VanDerWaalsContact CB-OE1 3.25Å; L407-E428 WeakPolarHBondContact CB-OE1 3.43Å; L407-E428 HydrophobicContact CD2-CG 4.35Å; L407-E428 WeakPolarHBondContact CD2-OE1 3.35Å; L407-L429 HydrophobicContact CD2-CD1 3.96Å; L407-L429 HydrophobicContact CD2-CG 4.23Å
408	K	96.5	Very high	95.8	Very high	167 Å²	167	61.4 Å²	61.4	73%	0.726	29%	0.289	S	S	*	.	S	Bend	trans	-78	-35.5	176.7	-64.9	179.1	-177.9	174.5	0	111.5	P410 E428	K408-P410 WeakPolarHBondContact O-CD 3.27Å; K408-E428 WeakPolarHBondContact CB-OE2 3.34Å; K408-E428 PolarHBondContact N-OE1 2.92Å; K408-E428 PolarHBondContact N-OE2 3.4Å; K408-E428 VanDerWaalsContact N-OE2 3.08Å
409	Y	95.6	Very high	95.4	Very high	111 Å²	111	65.3 Å²	65.3	44%	0.435	31%	0.309	S	S	.	.			trans	-123.5	64.7	-177.6	-47	-67.8	0	0	0	111	D411 L412 E428	Y409-D411 PolarHBondContact O-N 2.78Å; Y409-L412 VanDerWaalsContact CB-CD1 3.46Å; Y409-L412 HydrophobicContact CD2-CD1 4.34Å; Y409-L412 HydrophobicContact CG-CD1 4.04Å; Y409-L412 WeakPolarHBondContact O-CB 3.48Å; Y409-L412 PolarHBondContact O-N 2.84Å; Y409-L412 VanDerWaalsContact O-N 3.16Å; Y409-E428 HydrophobicContact CD2-CB 4.14Å; Y409-E428 WeakPolarHBondContact CD2-OE2 3.5Å; Y409-E428 PolarHBondContact N-OE2 3.05Å
410	P	96.4	Very high	95.2	Very high	45 Å²	45	74 Å²	74	29%	0.292	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.4	-176.6	30.7	-37.2	0	0	0	113.4	A383 D384 A396 L407 K408 L412	A383-P410 WeakPolarHBondContact CB-O 3.45Å; A383-P410 PolarHBondContact N-O 2.9Å; D384-P410 HydrophobicContact CB-CB 4.23Å; D384-P410 PolarHBondContact N-O 3.39Å; A396-P410 HydrophobicContact CB-CB 4.34Å; L407-P410 HydrophobicContact CB-CB 4.31Å; K408-P410 WeakPolarHBondContact O-CD 3.27Å; P410-L412 VanDerWaalsContact C-N 3.3Å
411	D	94.8	Very high	94.9	Very high	93 Å²	93	78.7 Å²	78.7	50%	0.497	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-7.3	176	65.3	-45.5	0	0	0	113.6	S382 Y409	S382-D411 WeakPolarHBondContact CB-O 3.26Å; Y409-D411 PolarHBondContact O-N 2.78Å
412	L	96.2	Very high	94.6	Very high	16 Å²	16	79 Å²	79	8%	0.084	36%	0.359	C	S	.	.	S	Bend	trans	-81.6	148.4	175.6	-67.3	-175.5	0	0	0	112.4	A328 I339 S382 A383 Y409 P410 M427	A328-L412 HydrophobicContact CB-CD1 4.11Å; I339-L412 HydrophobicContact CD1-CD2 4.12Å; I339-L412 HydrophobicContact CG1-CD2 4.32Å; I339-L412 HydrophobicContact CG2-CD2 3.51Å; S382-L412 CarbonylContact C-O 3.38Å; S382-L412 WeakPolarHBondContact CA-O 3.43Å; A383-L412 PolarHBondContact N-O 3.42Å; Y409-L412 VanDerWaalsContact CB-CD1 3.46Å; Y409-L412 HydrophobicContact CD2-CD1 4.34Å; Y409-L412 HydrophobicContact CG-CD1 4.04Å; Y409-L412 WeakPolarHBondContact O-CB 3.48Å; Y409-L412 PolarHBondContact O-N 2.84Å; Y409-L412 VanDerWaalsContact O-N 3.16Å; P410-L412 VanDerWaalsContact C-N 3.3Å; L412-M427 HydrophobicContact CB-CE 3.73Å; L412-M427 HydrophobicContact CD1-CE 4Å; L412-M427 HydrophobicContact CD2-CE 4.4Å; L412-M427 HydrophobicContact CG-CE 4.27Å
413	P	96.3	Very high	94.7	Very high	4 Å²	4	78.4 Å²	78.4	3%	0.026	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	158.1	172.8	29.2	-35	0	0	0	111.7	M346 I378 S379 M427	M346-P413 HydrophobicContact CE-CG 3.63Å; I378-P413 HydrophobicContact CG2-CB 3.69Å; I378-P413 HydrophobicContact CG2-CG 3.84Å; S379-P413 WeakPolarHBondContact O-CB 3.45Å; P413-M427 HydrophobicContact CG-CE 3.88Å; P413-M427 HydrophobicContact CG-SD 4.5Å; P413-M427 WeakPolarHBondContact O-CE 3.35Å; P413-M427 WeakPolarHBondContact O-CG 3.47Å
414	C	97.6	Very high	94.9	Very high	0 Å²	0	79 Å²	79	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	155.2	176.9	-60.1	0	0	0	0	112	I378 S379 A383 L386 Y424 M425	I378-C414 CarbonylContact C-O 3.46Å; I378-C414 WeakPolarHBondContact CA-O 3.41Å; S379-C414 PolarHBondContact N-O 2.97Å; S379-C414 PolarHBondContact OG-N 3.08Å; S379-C414 PolarHBondContact OG-O 3.35Å; A383-C414 WeakPolarHBondContact CB-SG 3.45Å; L386-C414 HydrophobicContact CD2-CB 3.79Å; C414-Y424 HydrophobicContact CB-CD1 4.17Å; C414-Y424 HydrophobicContact CB-CG 4.41Å; C414-M425 CarbonylContact C-O 3.6Å; C414-M425 WeakPolarHBondContact CA-O 3.35Å; C414-M425 WeakPolarHBondContact CB-O 3.15Å
415	V	97.7	Very high	95	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	127.5	174.5	-179.5	0	0	0	0	110.3	L327 V375 I378 V417 Y424 M425 M427 L430	L327-V415 HydrophobicContact CD2-CG2 3.38Å; V375-V415 HydrophobicContact CB-CG1 4.14Å; V375-V415 HydrophobicContact CG1-CG1 3.82Å; V375-V415 HydrophobicContact CG2-CG1 3.74Å; I378-V415 HydrophobicContact CD1-CG2 4.03Å; V415-V417 HydrophobicContact CB-CG1 4.42Å; V415-V417 HydrophobicContact CG1-CG1 3.94Å; V415-V417 PolarHBondContact O-N 3.06Å; V415-Y424 CarbonylContact O-C 3.51Å; V415-Y424 VanDerWaalsContact O-CA 3.23Å; V415-Y424 WeakPolarHBondContact O-CA 3.34Å; V415-M425 PolarHBondContact N-O 2.92Å; V415-M425 PolarHBondContact O-N 3.04Å; V415-M427 HydrophobicContact CG2-CG 3.58Å; V415-L430 HydrophobicContact CB-CD1 3.68Å; V415-L430 HydrophobicContact CG1-CD1 4.06Å; V415-L430 HydrophobicContact CG2-CD1 3.51Å
416	K	97.1	Very high	95.1	Very high	35 Å²	35	70.4 Å²	70.4	15%	0.152	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	116.7	167	-175.1	171.1	-177.7	160.4	0	109.7	H376 G377 D418 R421 E422 V423 Y424	H376-K416 HydrophobicContact CB-CG 4.5Å; H376-K416 PolarHBondContact N-O 3.32Å; G377-K416 PolarHBondContact N-O 3.48Å; G377-K416 PolarHBondContact O-N 3.44Å; K416-D418 WeakPolarHBondContact CE-O 3.3Å; K416-D418 WeakPolarHBondContact CG-O 3.37Å; K416-R421 WeakPolarHBondContact CE-O 3.24Å; K416-E422 WeakPolarHBondContact CE-OE2 3.34Å; K416-E422 IonicContact NZ-OE1 3.68Å; K416-E422 PolarHBondContact NZ-OE1 2.87Å; K416-E422 IonicContact NZ-OE2 2.56Å; K416-E422 PolarHBondContact NZ-OE2 3.13Å; K416-V423 WeakPolarHBondContact CA-O 3.47Å; K416-Y424 HydrophobicContact CB-CD1 4Å; K416-Y424 HydrophobicContact CB-CE1 3.73Å; K416-Y424 HydrophobicContact CD-CE1 4.5Å; K416-Y424 HydrophobicContact CG-CE1 4.29Å
417	V	95.1	Very high	95	Very high	11 Å²	11	62.4 Å²	62.4	7%	0.067	29%	0.287	C	S	.	.			trans	-104.5	-8	-172.9	-65.9	0	0	0	0	114.2	F373 V415 V423 M425	F373-V417 HydrophobicContact CB-CB 3.78Å; F373-V417 HydrophobicContact CB-CG1 3.69Å; F373-V417 HydrophobicContact CD1-CB 3.7Å; F373-V417 HydrophobicContact CD1-CG1 4.26Å; F373-V417 HydrophobicContact CD1-CG2 3.95Å; F373-V417 HydrophobicContact CD2-CG1 4.2Å; F373-V417 HydrophobicContact CE1-CB 4.42Å; F373-V417 HydrophobicContact CE1-CG2 4.18Å; F373-V417 HydrophobicContact CG-CB 3.75Å; F373-V417 HydrophobicContact CG-CG1 3.8Å; F373-V417 HydrophobicContact CG-CG2 4.32Å; V415-V417 HydrophobicContact CB-CG1 4.42Å; V415-V417 HydrophobicContact CG1-CG1 3.94Å; V415-V417 PolarHBondContact O-N 3.06Å; V417-V423 HydrophobicContact CG2-CB 3.95Å; V417-V423 HydrophobicContact CG2-CG1 3.54Å; V417-V423 WeakPolarHBondContact CG2-O 3.33Å; V417-V423 PolarHBondContact N-O 3.11Å; V417-M425 HydrophobicContact CG1-CB 3.9Å
418	D	92.8	Very high	95	Very high	56 Å²	56	62.6 Å²	62.6	30%	0.299	29%	0.287	S	S	.	.			trans	-120	142.5	173.1	-168.4	-72.7	0	0	0	110.6	K416 K420 R421 V423	K416-D418 WeakPolarHBondContact CE-O 3.3Å; K416-D418 WeakPolarHBondContact CG-O 3.37Å; D418-K420 WeakPolarHBondContact OD1-CA 3.25Å; D418-K420 PolarHBondContact OD1-N 3.43Å; D418-R421 HydrophobicContact CB-CB 4.13Å; D418-R421 PolarHBondContact OD1-N 2.98Å; D418-V423 HydrophobicContact CB-CB 4.03Å; D418-V423 HydrophobicContact CB-CG2 4.04Å
419	Q	89.3	Confident	95.1	Very high	135 Å²	135	55.2 Å²	55.2	63%	0.631	26%	0.256	S	S	*	.	S	Bend	trans	-75.7	-32.8	-178	-169.5	177.2	10.3	0	0	113.2
420	K	91.6	Very high	95.2	Very high	189 Å²	189	49.9 Å²	49.9	82%	0.822	24%	0.235	S	C	*	.	S	Bend	trans	-105.2	-38	-172.3	-65.1	-178.4	-179.3	178.5	0	112.1	D418	D418-K420 WeakPolarHBondContact OD1-CA 3.25Å; D418-K420 PolarHBondContact OD1-N 3.43Å
421	R	90.5	Very high	95.3	Very high	180 Å²	180	50.1 Å²	50.1	68%	0.679	23%	0.233	S	C	*	.	S	Bend	trans	-94.6	150.3	-178.4	-60.9	179.3	178.9	-177.3	-0.8	109.9	K416 D418 V423	K416-R421 WeakPolarHBondContact CE-O 3.24Å; D418-R421 HydrophobicContact CB-CB 4.13Å; D418-R421 PolarHBondContact OD1-N 2.98Å; R421-V423 HydrophobicContact CB-CG2 3.73Å; R421-V423 PolarHBondContact O-N 2.96Å
422	E	90.6	Very high	95.4	Very high	122 Å²	122	45.9 Å²	45.9	57%	0.57	21%	0.211	S	C	*	.			trans	-81	64.1	173.6	-62.8	-48.9	138.8	0	0	110.5	K416 Y424	K416-E422 WeakPolarHBondContact CE-OE2 3.34Å; K416-E422 IonicContact NZ-OE1 3.68Å; K416-E422 PolarHBondContact NZ-OE1 2.87Å; K416-E422 IonicContact NZ-OE2 2.56Å; K416-E422 PolarHBondContact NZ-OE2 3.13Å; E422-Y424 HydrophobicContact CB-CE2 3.91Å; E422-Y424 PolarHBondContact OE2-OH 3.21Å
423	V	94.4	Very high	95.3	Very high	60 Å²	60	46.7 Å²	46.7	36%	0.364	22%	0.215	S	C	.	.			trans	-99.6	118.5	177.6	-173.8	0	0	0	0	108.8	K416 V417 D418 R421	K416-V423 WeakPolarHBondContact CA-O 3.47Å; V417-V423 HydrophobicContact CG2-CB 3.95Å; V417-V423 HydrophobicContact CG2-CG1 3.54Å; V417-V423 WeakPolarHBondContact CG2-O 3.33Å; V417-V423 PolarHBondContact N-O 3.11Å; D418-V423 HydrophobicContact CB-CB 4.03Å; D418-V423 HydrophobicContact CB-CG2 4.04Å; R421-V423 HydrophobicContact CB-CG2 3.73Å; R421-V423 PolarHBondContact O-N 2.96Å
424	Y	96.1	Very high	95.2	Very high	58 Å²	58	50 Å²	50	23%	0.227	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	148.2	-175.7	-67.9	-83.5	0	0	0	112.3	L386 C414 V415 K416 E422	L386-Y424 HydrophobicContact CD1-CE2 4.43Å; L386-Y424 HydrophobicContact CD2-CD1 3.94Å; L386-Y424 HydrophobicContact CD2-CD2 3.91Å; L386-Y424 HydrophobicContact CD2-CE1 4.45Å; L386-Y424 HydrophobicContact CD2-CE2 4.41Å; L386-Y424 HydrophobicContact CD2-CG 3.63Å; C414-Y424 HydrophobicContact CB-CD1 4.17Å; C414-Y424 HydrophobicContact CB-CG 4.41Å; V415-Y424 CarbonylContact O-C 3.51Å; V415-Y424 VanDerWaalsContact O-CA 3.23Å; V415-Y424 WeakPolarHBondContact O-CA 3.34Å; K416-Y424 HydrophobicContact CB-CD1 4Å; K416-Y424 HydrophobicContact CB-CE1 3.73Å; K416-Y424 HydrophobicContact CD-CE1 4.5Å; K416-Y424 HydrophobicContact CG-CE1 4.29Å; E422-Y424 HydrophobicContact CB-CE2 3.91Å; E422-Y424 PolarHBondContact OE2-OH 3.21Å
425	M	97	Very high	94.9	Very high	6 Å²	6	52.3 Å²	52.3	3%	0.03	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131	179.1	-166.9	62.5	64.1	0	0	109.9	T357 F360 Y361 F373 F399 C414 V415 V417 M427 L430	T357-M425 HydrophobicContact CG2-CE 4.44Å; T357-M425 HydrophobicContact CG2-SD 4.48Å; F360-M425 HydrophobicContact CZ-SD 4.18Å; Y361-M425 WeakPolarHBondContact OH-CE 3.42Å; F373-M425 HydrophobicContact CE2-CE 3.88Å; F373-M425 HydrophobicContact CZ-CE 4.14Å; F399-M425 HydrophobicContact CE1-SD 3.86Å; F399-M425 HydrophobicContact CE2-SD 4.27Å; F399-M425 HydrophobicContact CZ-CE 4.15Å; F399-M425 HydrophobicContact CZ-SD 3.33Å; F399-M425 WeakPolarHBondContact CZ-SD 3.18Å; C414-M425 CarbonylContact C-O 3.6Å; C414-M425 WeakPolarHBondContact CA-O 3.35Å; C414-M425 WeakPolarHBondContact CB-O 3.15Å; V415-M425 PolarHBondContact N-O 2.92Å; V415-M425 PolarHBondContact O-N 3.04Å; V417-M425 HydrophobicContact CG1-CB 3.9Å; M425-M427 PolarHBondContact O-N 3.35Å; M425-L430 HydrophobicContact CB-CD1 3.97Å; M425-L430 HydrophobicContact CB-CG 4.4Å; M425-L430 HydrophobicContact CG-CD1 3.9Å; M425-L430 HydrophobicContact CG-CD2 3.81Å; M425-L430 HydrophobicContact CG-CG 3.76Å
426	P	97.6	Very high	94.7	Very high	4 Å²	4	53.6 Å²	53.6	3%	0.026	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	135.2	173.6	-25.5	34.9	0	0	0	111.7	V395 F399 L407 E428 L429	V395-P426 HydrophobicContact CG1-CG 3.87Å; F399-P426 HydrophobicContact CD2-CG 3.79Å; F399-P426 HydrophobicContact CE2-CG 3.87Å; F399-P426 HydrophobicContact CG-CG 4.3Å; F399-P426 HydrophobicContact CZ-CG 4.43Å; L407-P426 HydrophobicContact CD1-CB 3.99Å; L407-P426 HydrophobicContact CD1-CG 3.78Å; L407-P426 HydrophobicContact CD2-CB 3.9Å; L407-P426 HydrophobicContact CD2-CG 3.88Å; P426-E428 VanDerWaalsContact C-N 3.28Å; P426-E428 HydrophobicContact CB-CG 4.35Å; P426-E428 PolarHBondContact O-N 3.08Å; P426-L429 HydrophobicContact CB-CD1 4.22Å; P426-L429 HydrophobicContact CB-CG 4.16Å; P426-L429 HydrophobicContact CG-CD1 4.09Å; P426-L429 PolarHBondContact O-N 3.04Å
427	M	95.6	Very high	94.5	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.01	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-61.1	-36.3	-176.7	-73.9	-173.3	-53.3	0	0	112.6	L327 A328 I339 M346 L412 P413 V415 M425 L429 L430	L327-M427 WeakPolarHBondContact CB-O 3.48Å; L327-M427 HydrophobicContact CD2-CB 4.28Å; L327-M427 HydrophobicContact CD2-CG 4.06Å; L327-M427 HydrophobicContact CG-CB 4.3Å; L327-M427 HydrophobicContact CG-CG 4.36Å; A328-M427 HydrophobicContact CB-CB 4.22Å; I339-M427 HydrophobicContact CD1-CE 4.09Å; M346-M427 HydrophobicContact CE-CE 4.46Å; M346-M427 HydrophobicContact CE-SD 4.43Å; M346-M427 HydrophobicContact SD-SD 4.46Å; L412-M427 HydrophobicContact CB-CE 3.73Å; L412-M427 HydrophobicContact CD1-CE 4Å; L412-M427 HydrophobicContact CD2-CE 4.4Å; L412-M427 HydrophobicContact CG-CE 4.27Å; P413-M427 HydrophobicContact CG-CE 3.88Å; P413-M427 HydrophobicContact CG-SD 4.5Å; P413-M427 WeakPolarHBondContact O-CE 3.35Å; P413-M427 WeakPolarHBondContact O-CG 3.47Å; V415-M427 HydrophobicContact CG2-CG 3.58Å; M425-M427 PolarHBondContact O-N 3.35Å; M427-L429 PolarHBondContact O-N 3.18Å; M427-L430 PolarHBondContact O-N 2.79Å
428	E	96.7	Very high	94.5	Very high	21 Å²	21	56.6 Å²	56.6	10%	0.098	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-66.8	-16.3	-179.1	63.6	173.8	-145	0	0	114.1	N326 A328 L407 K408 Y409 P426	N326-E428 PolarHBondContact ND2-O 3.39Å; A328-E428 HydrophobicContact CB-CB 4.1Å; L407-E428 WeakPolarHBondContact CA-OE1 3.35Å; L407-E428 VanDerWaalsContact CB-OE1 3.25Å; L407-E428 WeakPolarHBondContact CB-OE1 3.43Å; L407-E428 HydrophobicContact CD2-CG 4.35Å; L407-E428 WeakPolarHBondContact CD2-OE1 3.35Å; K408-E428 WeakPolarHBondContact CB-OE2 3.34Å; K408-E428 PolarHBondContact N-OE1 2.92Å; K408-E428 PolarHBondContact N-OE2 3.4Å; K408-E428 VanDerWaalsContact N-OE2 3.08Å; Y409-E428 HydrophobicContact CD2-CB 4.14Å; Y409-E428 WeakPolarHBondContact CD2-OE2 3.5Å; Y409-E428 PolarHBondContact N-OE2 3.05Å; P426-E428 VanDerWaalsContact C-N 3.28Å; P426-E428 HydrophobicContact CB-CG 4.35Å; P426-E428 PolarHBondContact O-N 3.08Å
429	L	97.6	Very high	94.6	Very high	11 Å²	11	57.1 Å²	57.1	6%	0.058	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-95.7	10	178.3	-56.3	-176.4	0	0	0	112.7	T357 D358 F360 F399 I405 L407 P426 M427	T357-L429 VanDerWaalsContact CA-O 3.27Å; T357-L429 WeakPolarHBondContact CA-O 3.23Å; D358-L429 PolarHBondContact N-O 3.04Å; F360-L429 HydrophobicContact CE1-CB 4.21Å; F360-L429 HydrophobicContact CE1-CD1 4.28Å; F399-L429 HydrophobicContact CD1-CD1 3.53Å; F399-L429 HydrophobicContact CE1-CD1 3.69Å; F399-L429 HydrophobicContact CG-CD1 4.2Å; F399-L429 HydrophobicContact CZ-CD1 4.49Å; I405-L429 HydrophobicContact CD1-CD1 4.27Å; I405-L429 HydrophobicContact CG2-CD1 4.25Å; I405-L429 HydrophobicContact CG2-CD2 3.93Å; L407-L429 HydrophobicContact CD2-CD1 3.96Å; L407-L429 HydrophobicContact CD2-CG 4.23Å; P426-L429 HydrophobicContact CB-CD1 4.22Å; P426-L429 HydrophobicContact CB-CG 4.16Å; P426-L429 HydrophobicContact CG-CD1 4.09Å; P426-L429 PolarHBondContact O-N 3.04Å; M427-L429 PolarHBondContact O-N 3.18Å
430	L	98.2	Very high	94.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130.3	-175.3	-71.1	174.7	0	0	0	111.1	L327 V355 T357 F373 V415 M425 M427	L327-L430 HydrophobicContact CB-CB 4.05Å; L327-L430 VanDerWaalsContact CB-O 3.23Å; L327-L430 WeakPolarHBondContact CB-O 3.23Å; L327-L430 HydrophobicContact CD2-CB 4.05Å; L327-L430 HydrophobicContact CD2-CD1 3.94Å; L327-L430 PolarHBondContact N-O 3.26Å; V355-L430 HydrophobicContact CB-CB 4.23Å; V355-L430 HydrophobicContact CB-CD2 4.1Å; V355-L430 HydrophobicContact CG2-CD1 4.09Å; V355-L430 HydrophobicContact CG2-CD2 3.72Å; V355-L430 HydrophobicContact CG2-CG 4.34Å; T357-L430 HydrophobicContact CG2-CD2 3.78Å; F373-L430 HydrophobicContact CD2-CD2 4.31Å; V415-L430 HydrophobicContact CB-CD1 3.68Å; V415-L430 HydrophobicContact CG1-CD1 4.06Å; V415-L430 HydrophobicContact CG2-CD1 3.51Å; M425-L430 HydrophobicContact CB-CD1 3.97Å; M425-L430 HydrophobicContact CB-CG 4.4Å; M425-L430 HydrophobicContact CG-CD1 3.9Å; M425-L430 HydrophobicContact CG-CD2 3.81Å; M425-L430 HydrophobicContact CG-CG 3.76Å; M427-L430 PolarHBondContact O-N 2.79Å
431	N	98.3	Very high	94.7	Very high	49 Å²	49	45.5 Å²	45.5	26%	0.262	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	128	173.7	-65.7	-73.3	0	0	0	110.3	G325 V355 E356 D358 L433	G325-N431 CarbonylContact O-C 3.56Å; G325-N431 WeakPolarHBondContact O-CA 3.35Å; V355-N431 CarbonylContact C-O 3.48Å; V355-N431 WeakPolarHBondContact CA-O 3.37Å; E356-N431 PolarHBondContact N-O 3.23Å; E356-N431 PolarHBondContact O-N 3.39Å; D358-N431 PolarHBondContact OD1-ND2 3.21Å; N431-L433 PolarHBondContact O-N 2.88Å
432	I	97.9	Very high	94.6	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.026	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	123.8	174.1	-61.2	154.4	0	0	0	109.1	F322 T323 G325 L327 V330 I353 V355	F322-I432 HydrophobicContact CD1-CD1 4.46Å; F322-I432 HydrophobicContact CD1-CG2 3.81Å; F322-I432 HydrophobicContact CE1-CD1 3.86Å; F322-I432 HydrophobicContact CE1-CG2 4.22Å; T323-I432 WeakPolarHBondContact O-CG2 3.36Å; G325-I432 PolarHBondContact N-O 3.13Å; G325-I432 PolarHBondContact O-N 2.89Å; L327-I432 HydrophobicContact CB-CD1 4.42Å; L327-I432 HydrophobicContact CB-CG1 4.32Å; L327-I432 HydrophobicContact CD1-CD1 3.67Å; L327-I432 HydrophobicContact CD1-CG1 3.91Å; V330-I432 HydrophobicContact CB-CD1 3.9Å; V330-I432 HydrophobicContact CG1-CD1 3.81Å; V330-I432 HydrophobicContact CG2-CD1 4.02Å; I353-I432 HydrophobicContact CG2-CG1 4.33Å; I353-I432 HydrophobicContact CG2-CG2 3.73Å; V355-I432 HydrophobicContact CG1-CG1 4.12Å
433	L	93.8	Very high	94.4	Very high	32 Å²	32	37.6 Å²	37.6	17%	0.168	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-64.7	142	177.9	-62.2	176.9	0	0	0	111.2	R354 E356 R372 N431 Q436	R354-L433 HydrophobicContact CB-CD1 3.88Å; R354-L433 PolarHBondContact O-N 3.29Å; E356-L433 HydrophobicContact CB-CD2 3.88Å; R372-L433 HydrophobicContact CG-CD1 4.41Å; N431-L433 PolarHBondContact O-N 2.88Å; L433-Q436 HydrophobicContact CB-CG 4.47Å; L433-Q436 WeakPolarHBondContact O-CG 3.25Å; L433-Q436 PolarHBondContact O-NE2 2.56Å
434	P	93.2	Very high	94.3	Very high	73 Å²	73	37.2 Å²	37.2	47%	0.474	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	163.9	179.6	31.2	-36.7	0	0	0	112.8	A324 Q436	A324-P434 HydrophobicContact CB-CB 3.91Å; P434-Q436 PolarHBondContact O-N 3.44Å; P434-Q436 VanDerWaalsContact O-N 3.16Å
435	F	92	Very high	94.3	Very high	49 Å²	49	35.6 Å²	35.6	22%	0.215	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	24.8	172.4	-46.3	-61.9	0	0	0	115.9	V273 L275 H297 F321	V273-F435 HydrophobicContact CB-CZ 4.31Å; V273-F435 HydrophobicContact CG1-CD2 4.33Å; V273-F435 HydrophobicContact CG1-CE2 3.79Å; V273-F435 HydrophobicContact CG1-CZ 3.98Å; V273-F435 HydrophobicContact CG2-CE2 4.43Å; V273-F435 HydrophobicContact CG2-CZ 4.09Å; L275-F435 HydrophobicContact CD1-CB 3.96Å; L275-F435 HydrophobicContact CD1-CD1 3.5Å; L275-F435 VanDerWaalsContact CD1-CD1 3.5Å; L275-F435 HydrophobicContact CD1-CD2 4.44Å; L275-F435 HydrophobicContact CD1-CE1 4.1Å; L275-F435 HydrophobicContact CD1-CG 3.69Å; L275-F435 HydrophobicContact CD2-CB 3.94Å; L275-F435 HydrophobicContact CD2-CD2 4.03Å; L275-F435 HydrophobicContact CD2-CG 3.89Å; L275-F435 HydrophobicContact CG-CG 4.45Å; H297-F435 AromaticContact CE1-CE1 3.95Å; H297-F435 AromaticContact ND1-CE1 3.98Å; F321-F435 HydrophobicContact CD1-CB 3.92Å; F321-F435 HydrophobicContact CD1-CD1 4.4Å; F321-F435 WeakPolarHBondContact CD1-O 3.16Å; F321-F435 AromaticContact CD2-CD1 3.9Å; F321-F435 HydrophobicContact CD2-CD1 3.9Å; F321-F435 HydrophobicContact CE1-CB 3.95Å; F321-F435 HydrophobicContact CE1-CD1 4.38Å; F321-F435 AromaticContact CE2-CD1 3.92Å; F321-F435 HydrophobicContact CE2-CD1 3.92Å; F321-F435 HydrophobicContact CG-CB 4.36Å; F321-F435 HydrophobicContact CG-CD1 4.14Å; F321-F435 HydrophobicContact CZ-CB 4.48Å; F321-F435 HydrophobicContact CZ-CD1 4.15Å
436	Q	93.7	Very high	94	Very high	28 Å²	28	36.3 Å²	36.3	13%	0.131	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-77.5	153.5	172.1	-66.5	-172.5	79.7	0	0	111.7	F321 F322 R354 L433 P434	F321-Q436 CarbonylContact C-O 3.56Å; F321-Q436 WeakPolarHBondContact CA-O 3.4Å; F321-Q436 WeakPolarHBondContact CB-O 3.3Å; F322-Q436 HydrophobicContact CB-CB 4.17Å; F322-Q436 PolarHBondContact N-O 2.81Å; R354-Q436 PolarHBondContact O-NE2 3.12Å; L433-Q436 HydrophobicContact CB-CG 4.47Å; L433-Q436 WeakPolarHBondContact O-CG 3.25Å; L433-Q436 PolarHBondContact O-NE2 2.56Å; P434-Q436 PolarHBondContact O-N 3.44Å; P434-Q436 VanDerWaalsContact O-N 3.16Å
437	A	92.8	Very high	93.7	Very high	77 Å²	77	38.4 Å²	38.4	64%	0.636	24%	0.237	S	C	*	.	P	Polyproline II helix	trans	-67.5	138	176.1	0	0	0	0	0	110.4
438	P	94.9	Very high	93.7	Very high	32 Å²	32	39 Å²	39	21%	0.208	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-70.2	147.3	179.7	29.7	-35.4	0	0	0	111.6	F294 A320 V445	F294-P438 HydrophobicContact CB-CB 3.81Å; A320-P438 HydrophobicContact CB-CG 4.25Å; P438-V445 HydrophobicContact CB-CG2 4.3Å; P438-V445 HydrophobicContact CG-CG2 3.87Å
439	N	94.8	Very high	93.6	Very high	66 Å²	66	39.5 Å²	39.5	35%	0.353	24%	0.244	S	C	.	.			trans	-88.5	-9.8	172.6	-78.7	-20.2	0	0	0	113.1	F322 D349 R351	F322-N439 HydrophobicContact CE2-CB 4.39Å; D349-N439 WeakPolarHBondContact O-CB 3.48Å; D349-N439 PolarHBondContact O-ND2 3.12Å; R351-N439 PolarHBondContact O-ND2 3.05Å
440	A	92.4	Very high	93.2	Very high	23 Å²	23	42.9 Å²	42.9	19%	0.19	26%	0.261	C	S	.	.	S	Bend	trans	-55.9	158.4	174.4	0	0	0	0	0	112.4	K292 F294 K442 V445	K292-A440 HydrophobicContact CB-CB 4.25Å; F294-A440 HydrophobicContact CD1-CB 3.68Å; F294-A440 HydrophobicContact CE1-CB 3.99Å; A440-K442 PolarHBondContact O-N 3.17Å; A440-V445 HydrophobicContact CB-CG2 4Å
441	S	90.5	Very high	92.9	Very high	58 Å²	58	50 Å²	50	41%	0.406	29%	0.288	S	S	.	.			trans	-59	138.9	175.7	95.7	0	0	0	0	109.7	A443 D444 V445	S441-A443 PolarHBondContact O-N 2.7Å; S441-A443 VanDerWaalsContact O-N 3.13Å; S441-D444 WeakPolarHBondContact CB-OD2 3.39Å; S441-D444 WeakPolarHBondContact O-CB 3.44Å; S441-D444 PolarHBondContact O-N 2.81Å; S441-D444 VanDerWaalsContact O-N 3.13Å; S441-D444 PolarHBondContact OG-N 3.29Å; S441-D444 VanDerWaalsContact OG-N 3.15Å; S441-D444 PolarHBondContact OG-OD2 3.24Å; S441-V445 PolarHBondContact O-N 3.02Å; S441-V445 VanDerWaalsContact O-N 3.08Å
442	K	87.8	Confident	92.6	Very high	80 Å²	80	48.9 Å²	48.9	35%	0.348	28%	0.284	S	S	.	.	H	α-helix	trans	-60.3	-27.3	179.7	-67	175.7	173	165	0	112.1	H26 P28 Y30 A440 A446	H26-K442 VanDerWaalsContact O-CE 3.31Å; H26-K442 WeakPolarHBondContact O-CE 3.37Å; H26-K442 PolarHBondContact O-NZ 3.23Å; P28-K442 VanDerWaalsContact CD-CD 3.4Å; P28-K442 VanDerWaalsContact CD-NZ 3.29Å; P28-K442 HydrophobicContact CG-CD 3.33Å; Y30-K442 HydrophobicContact CE2-CB 4.2Å; Y30-K442 WeakPolarHBondContact OH-CA 2.85Å; Y30-K442 WeakPolarHBondContact OH-CB 3.27Å; Y30-K442 PolarHBondContact OH-O 3.38Å; A440-K442 PolarHBondContact O-N 3.17Å; K442-A446 VanDerWaalsContact O-CB 3.23Å; K442-A446 WeakPolarHBondContact O-CB 3.31Å; K442-A446 PolarHBondContact O-N 3.2Å
443	A	88	Confident	92.3	Very high	55 Å²	55	50.3 Å²	50.3	46%	0.455	30%	0.296	S	S	.	.	H	α-helix	trans	-71.1	-40.8	179.9	0	0	0	0	0	110.8	Y30 S441 S447	Y30-A443 WeakPolarHBondContact OH-CA 3.45Å; Y30-A443 PolarHBondContact OH-N 3.3Å; S441-A443 PolarHBondContact O-N 2.7Å; S441-A443 VanDerWaalsContact O-N 3.13Å; A443-S447 WeakPolarHBondContact O-CB 3.37Å; A443-S447 PolarHBondContact O-N 2.87Å
444	D	91.7	Very high	92.2	Very high	53 Å²	53	50.1 Å²	50.1	28%	0.283	30%	0.299	S	S	.	.	H	α-helix	trans	-63.6	-48.7	173.7	-67.7	-52.4	0	0	0	111.3	K292 S441 A446 S447 E448	K292-D444 HydrophobicContact CD-CB 3.7Å; K292-D444 VanDerWaalsContact NZ-CG 3.29Å; K292-D444 IonicContact NZ-OD1 3.97Å; K292-D444 PolarHBondContact NZ-OD1 2.85Å; S441-D444 WeakPolarHBondContact CB-OD2 3.39Å; S441-D444 WeakPolarHBondContact O-CB 3.44Å; S441-D444 PolarHBondContact O-N 2.81Å; S441-D444 VanDerWaalsContact O-N 3.13Å; S441-D444 PolarHBondContact OG-N 3.29Å; S441-D444 VanDerWaalsContact OG-N 3.15Å; S441-D444 PolarHBondContact OG-OD2 3.24Å; D444-A446 VanDerWaalsContact C-N 3.34Å; D444-A446 PolarHBondContact O-N 3.42Å; D444-S447 PolarHBondContact O-N 2.77Å; D444-E448 PolarHBondContact O-N 3.29Å
445	V	94.8	Very high	92.2	Very high	24 Å²	24	47.8 Å²	47.8	15%	0.145	28%	0.283	C	S	.	.	H	α-helix	trans	-57.6	-48.6	177.4	172.2	0	0	0	0	110.6	F294 A320 P438 A440 S441 S447 E448 V449	F294-V445 HydrophobicContact CD1-CG2 4.28Å; F294-V445 HydrophobicContact CE1-CG2 4.18Å; F294-V445 HydrophobicContact CZ-CG2 4.42Å; A320-V445 HydrophobicContact CB-CG1 3.53Å; P438-V445 HydrophobicContact CB-CG2 4.3Å; P438-V445 HydrophobicContact CG-CG2 3.87Å; A440-V445 HydrophobicContact CB-CG2 4Å; S441-V445 PolarHBondContact O-N 3.02Å; S441-V445 VanDerWaalsContact O-N 3.08Å; V445-S447 PolarHBondContact O-N 3.31Å; V445-E448 PolarHBondContact O-N 2.78Å; V445-V449 HydrophobicContact CG1-CG2 4.17Å; V445-V449 WeakPolarHBondContact O-CB 3.47Å; V445-V449 WeakPolarHBondContact O-CG2 3.28Å; V445-V449 PolarHBondContact O-N 3.27Å
446	A	92.3	Very high	92.3	Very high	20 Å²	20	51.8 Å²	51.8	17%	0.165	30%	0.297	C	S	.	.	H	α-helix	trans	-61.8	-43.2	179.4	0	0	0	0	0	112.3	Y30 K442 D444 E448 V449 I450	Y30-A446 HydrophobicContact CD2-CB 3.71Å; Y30-A446 HydrophobicContact CE2-CB 3.57Å; Y30-A446 HydrophobicContact CG-CB 4.36Å; K442-A446 VanDerWaalsContact O-CB 3.23Å; K442-A446 WeakPolarHBondContact O-CB 3.31Å; K442-A446 PolarHBondContact O-N 3.2Å; D444-A446 VanDerWaalsContact C-N 3.34Å; D444-A446 PolarHBondContact O-N 3.42Å; A446-E448 PolarHBondContact O-N 2.95Å; A446-V449 PolarHBondContact O-N 3.05Å; A446-I450 WeakPolarHBondContact O-CB 3.29Å; A446-I450 WeakPolarHBondContact O-CD1 3.46Å; A446-I450 WeakPolarHBondContact O-CG1 3.36Å; A446-I450 PolarHBondContact O-N 3.22Å
447	S	91.2	Very high	92.5	Very high	49 Å²	49	50.4 Å²	50.4	34%	0.343	29%	0.291	S	S	.	.	H	α-helix	trans	-58.3	-48.5	177.8	176.4	0	0	0	0	111.7	A443 D444 V445 I450 R451	A443-S447 WeakPolarHBondContact O-CB 3.37Å; A443-S447 PolarHBondContact O-N 2.87Å; D444-S447 PolarHBondContact O-N 2.77Å; V445-S447 PolarHBondContact O-N 3.31Å; S447-I450 PolarHBondContact O-N 2.86Å; S447-R451 WeakPolarHBondContact O-CG 3.49Å; S447-R451 PolarHBondContact O-N 3.36Å
448	E	94.9	Very high	92.6	Very high	15 Å²	15	48.8 Å²	48.8	7%	0.07	27%	0.27	C	S	.	.	H	α-helix	trans	-72.3	-38.7	-178.5	-64.9	-53.6	135.1	0	0	112.4	K287 V289 F294 I296 D444 V445 A446 I450 R451 C452	K287-E448 IonicContact NZ-OE2 3.57Å; K287-E448 PolarHBondContact NZ-OE2 3.22Å; V289-E448 HydrophobicContact CG2-CG 4.3Å; F294-E448 HydrophobicContact CE2-CB 4.05Å; F294-E448 HydrophobicContact CE2-CG 4.42Å; F294-E448 HydrophobicContact CZ-CB 3.99Å; F294-E448 HydrophobicContact CZ-CG 3.93Å; I296-E448 HydrophobicContact CD1-CB 3.61Å; D444-E448 PolarHBondContact O-N 3.29Å; V445-E448 PolarHBondContact O-N 2.78Å; A446-E448 PolarHBondContact O-N 2.95Å; E448-I450 VanDerWaalsContact C-N 3.35Å; E448-I450 PolarHBondContact O-N 2.82Å; E448-R451 PolarHBondContact O-N 3.29Å; E448-R451 IonicContact OE1-CZ 3.58Å; E448-R451 IonicContact OE1-NE 3.88Å; E448-R451 IonicContact OE1-NH1 3.6Å; E448-R451 PolarHBondContact OE1-NH1 2.82Å; E448-R451 IonicContact OE2-NH1 2.92Å; E448-C452 PolarHBondContact O-N 3.13Å
449	V	94.1	Very high	92.6	Very high	30 Å²	30	51.8 Å²	51.8	18%	0.182	28%	0.281	C	S	.	.	H	α-helix	trans	-61.9	-41.9	174.2	169.5	0	0	0	0	111.3	I296 C318 A320 V445 A446 R451 C452 A453	I296-V449 HydrophobicContact CD1-CG2 4.11Å; I296-V449 HydrophobicContact CG1-CG2 4.32Å; C318-V449 HydrophobicContact CB-CG1 3.99Å; A320-V449 HydrophobicContact CB-CG2 4.15Å; V445-V449 HydrophobicContact CG1-CG2 4.17Å; V445-V449 WeakPolarHBondContact O-CB 3.47Å; V445-V449 WeakPolarHBondContact O-CG2 3.28Å; V445-V449 PolarHBondContact O-N 3.27Å; A446-V449 PolarHBondContact O-N 3.05Å; V449-R451 VanDerWaalsContact C-N 3.33Å; V449-R451 PolarHBondContact O-N 2.72Å; V449-C452 PolarHBondContact O-N 3.05Å; V449-A453 VanDerWaalsContact O-CB 3.27Å; V449-A453 WeakPolarHBondContact O-CB 3.28Å; V449-A453 PolarHBondContact O-N 3.13Å
450	I	90.6	Very high	92.7	Very high	82 Å²	82	49.3 Å²	49.3	42%	0.421	27%	0.267	S	S	.	.	H	α-helix	trans	-60.9	-43.3	176.5	-73	165.4	0	0	0	110.5	M32 A446 S447 E448 C452 A453 A454	M32-I450 HydrophobicContact CE-CD1 4.41Å; A446-I450 WeakPolarHBondContact O-CB 3.29Å; A446-I450 WeakPolarHBondContact O-CD1 3.46Å; A446-I450 WeakPolarHBondContact O-CG1 3.36Å; A446-I450 PolarHBondContact O-N 3.22Å; S447-I450 PolarHBondContact O-N 2.86Å; E448-I450 VanDerWaalsContact C-N 3.35Å; E448-I450 PolarHBondContact O-N 2.82Å; I450-C452 PolarHBondContact O-N 2.9Å; I450-A453 PolarHBondContact O-N 3Å; I450-A454 WeakPolarHBondContact O-CB 3.32Å; I450-A454 PolarHBondContact O-N 3.08Å
451	R	90.9	Very high	92.9	Very high	151 Å²	151	48.6 Å²	48.6	57%	0.57	26%	0.26	S	S	*	.	H	α-helix	trans	-60.7	-44.7	177.4	-72.3	171.8	179	-177.5	-8.1	111.9	S447 E448 V449	S447-R451 WeakPolarHBondContact O-CG 3.49Å; S447-R451 PolarHBondContact O-N 3.36Å; E448-R451 PolarHBondContact O-N 3.29Å; E448-R451 IonicContact OE1-CZ 3.58Å; E448-R451 IonicContact OE1-NE 3.88Å; E448-R451 IonicContact OE1-NH1 3.6Å; E448-R451 PolarHBondContact OE1-NH1 2.82Å; E448-R451 IonicContact OE2-NH1 2.92Å; V449-R451 VanDerWaalsContact C-N 3.33Å; V449-R451 PolarHBondContact O-N 2.72Å
452	C	92.7	Very high	93.2	Very high	25 Å²	25	51.9 Å²	51.9	17%	0.169	27%	0.268	C	S	.	.	H	α-helix	trans	-69.2	-33.8	177.8	-67.5	0	0	0	0	113.2	V286 I296 E448 V449 I450	V286-C452 HydrophobicContact CG1-CB 4.42Å; I296-C452 HydrophobicContact CG2-CB 4.17Å; E448-C452 PolarHBondContact O-N 3.13Å; V449-C452 PolarHBondContact O-N 3.05Å; I450-C452 PolarHBondContact O-N 2.9Å
453	A	90.8	Very high	93.5	Very high	34 Å²	34	49.9 Å²	49.9	28%	0.281	26%	0.26	S	S	.	.	H	α-helix	trans	-84.8	-15.2	-177.6	0	0	0	0	0	113.8	C318 V449 I450 V455 R460	C318-A453 HydrophobicContact CB-CB 4.43Å; V449-A453 VanDerWaalsContact O-CB 3.27Å; V449-A453 WeakPolarHBondContact O-CB 3.28Å; V449-A453 PolarHBondContact O-N 3.13Å; I450-A453 PolarHBondContact O-N 3Å; A453-V455 PolarHBondContact O-N 3.46Å; A453-R460 PolarHBondContact O-NH2 3.12Å
454	A	91.6	Very high	93.9	Very high	29 Å²	29	47.2 Å²	47.2	24%	0.24	24%	0.238	C	C	.	.			trans	-78.7	57.5	-176.9	0	0	0	0	0	113	I450 Q833	I450-A454 WeakPolarHBondContact O-CB 3.32Å; I450-A454 PolarHBondContact O-N 3.08Å; A454-Q833 HydrophobicContact CB-CG 3.95Å; A454-Q833 VanDerWaalsContact CB-NE2 3.25Å
455	V	94.1	Very high	94.1	Very high	23 Å²	23	46.9 Å²	46.9	14%	0.139	24%	0.235	C	C	.	.			trans	-89.6	139.1	-179.7	-178.2	0	0	0	0	110.4	M316 A453 E459 R460 G834 T835	M316-V455 HydrophobicContact CE-CG2 4.29Å; A453-V455 PolarHBondContact O-N 3.46Å; V455-E459 HydrophobicContact CG1-CB 3.38Å; V455-R460 HydrophobicContact CG1-CB 4.2Å; V455-G834 CarbonylContact O-C 3.48Å; V455-G834 VanDerWaalsContact O-C 3.3Å; V455-G834 VanDerWaalsContact O-CA 3.25Å; V455-G834 WeakPolarHBondContact O-CA 3.42Å; V455-T835 PolarHBondContact O-N 3.26Å; V455-T835 PolarHBondContact O-OG1 3.47Å
456	R	94.7	Very high	94	Very high	133 Å²	133	49.7 Å²	49.7	50%	0.502	25%	0.253	S	S	.	.			trans	-65.6	157.1	178.3	-72.4	-170.6	177.1	104.7	-1.4	111.7	Q458 E459 R460	R456-Q458 VanDerWaalsContact C-N 3.3Å; R456-Q458 PolarHBondContact O-N 3.39Å; R456-E459 PolarHBondContact O-N 3.45Å; R456-R460 VanDerWaalsContact O-CB 3.3Å; R456-R460 WeakPolarHBondContact O-CB 3.43Å; R456-R460 PolarHBondContact O-N 3.19Å
457	P	96.1	Very high	94.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-55.1	-42	-179.1	-22.6	30.4	0	0	0	113.6	R460 F461 K797 R804 T835	P457-R460 PolarHBondContact O-N 3.04Å; P457-F461 WeakPolarHBondContact O-CB 3.46Å; P457-F461 WeakPolarHBondContact O-CD2 3.35Å; P457-F461 PolarHBondContact O-N 2.75Å; P457-K797 HydrophobicContact CB-CB 4.1Å; P457-K797 HydrophobicContact CB-CG 4.03Å; P457-R804 WeakPolarHBondContact CD-O 3.14Å; P457-T835 HydrophobicContact CB-CG2 4.32Å; P457-T835 HydrophobicContact CG-CG2 4.11Å
458	Q	95.4	Very high	94.1	Very high	43 Å²	43	46.9 Å²	46.9	20%	0.201	23%	0.231	C	C	.	.	H	α-helix	trans	-60.2	-55.2	180	-70.2	77.1	-0.9	0	0	111.3	R456 R460 F461 Q462 P801 A803	R456-Q458 VanDerWaalsContact C-N 3.3Å; R456-Q458 PolarHBondContact O-N 3.39Å; Q458-R460 PolarHBondContact O-N 3.17Å; Q458-F461 PolarHBondContact O-N 2.67Å; Q458-Q462 VanDerWaalsContact O-CG 3.27Å; Q458-Q462 WeakPolarHBondContact O-CG 3.42Å; Q458-Q462 PolarHBondContact O-N 3.04Å; Q458-P801 PolarHBondContact NE2-O 3.24Å; Q458-A803 PolarHBondContact NE2-O 2.77Å
459	E	95	Very high	93.9	Very high	94 Å²	94	50.6 Å²	50.6	44%	0.439	25%	0.252	S	S	.	.	H	α-helix	trans	-61.9	-40.9	177.9	-68	164.3	-145.4	0	0	111.7	V455 R456 F461 Q462 E463	V455-E459 HydrophobicContact CG1-CB 3.38Å; R456-E459 PolarHBondContact O-N 3.45Å; E459-F461 PolarHBondContact O-N 3.23Å; E459-Q462 PolarHBondContact O-N 3.27Å; E459-E463 PolarHBondContact O-N 3.31Å
460	R	96.5	Very high	93.6	Very high	15 Å²	15	50.3 Å²	50.3	6%	0.057	25%	0.251	C	S	.	.	H	α-helix	trans	-59.7	-49.4	176.9	173.8	176.8	-60.9	-94.1	-13.9	110.7	D315 M316 A453 V455 R456 P457 Q458 Q462 E463 L464 T835	D315-R460 IonicContact OD1-CZ 2.77Å; D315-R460 IonicContact OD1-NH1 3.43Å; D315-R460 PolarHBondContact OD1-NH1 3.46Å; M316-R460 HydrophobicContact CG-CG 4.28Å; M316-R460 HydrophobicContact SD-CB 4.02Å; M316-R460 HydrophobicContact SD-CG 3.72Å; A453-R460 PolarHBondContact O-NH2 3.12Å; V455-R460 HydrophobicContact CG1-CB 4.2Å; R456-R460 VanDerWaalsContact O-CB 3.3Å; R456-R460 WeakPolarHBondContact O-CB 3.43Å; R456-R460 PolarHBondContact O-N 3.19Å; P457-R460 PolarHBondContact O-N 3.04Å; Q458-R460 PolarHBondContact O-N 3.17Å; R460-Q462 VanDerWaalsContact C-N 3.35Å; R460-E463 PolarHBondContact O-N 2.99Å; R460-L464 HydrophobicContact CG-CD1 4.01Å; R460-L464 HydrophobicContact CG-CG 4.42Å; R460-L464 VanDerWaalsContact O-CG 3.28Å; R460-L464 WeakPolarHBondContact O-CG 3.09Å; R460-L464 PolarHBondContact O-N 3.38Å; R460-T835 WeakPolarHBondContact CD-OG1 3.37Å; R460-T835 PolarHBondContact NE-OG1 3.41Å
461	F	97.1	Very high	93.3	Very high	8 Å²	8	46.5 Å²	46.5	4%	0.035	23%	0.231	C	C	.	.	H	α-helix	trans	-72.5	-28.7	-177.3	-83.5	-111.7	0	0	0	112.6	T126 S127 N128 P457 Q458 E459 L464 Q465 P489 R795 K797	T126-F461 HydrophobicContact CG2-CD1 4.12Å; T126-F461 HydrophobicContact CG2-CE1 3.85Å; T126-F461 WeakPolarHBondContact O-CE1 3.38Å; T126-F461 VanDerWaalsContact O-CZ 3.26Å; T126-F461 WeakPolarHBondContact O-CZ 3.31Å; S127-F461 WeakPolarHBondContact O-CE1 3.44Å; N128-F461 HydrophobicContact CB-CE1 4.15Å; N128-F461 HydrophobicContact CB-CZ 3.93Å; P457-F461 WeakPolarHBondContact O-CB 3.46Å; P457-F461 WeakPolarHBondContact O-CD2 3.35Å; P457-F461 PolarHBondContact O-N 2.75Å; Q458-F461 PolarHBondContact O-N 2.67Å; E459-F461 PolarHBondContact O-N 3.23Å; F461-L464 PolarHBondContact O-N 3.44Å; F461-Q465 VanDerWaalsContact O-CB 3.26Å; F461-Q465 WeakPolarHBondContact O-CB 3.32Å; F461-Q465 PolarHBondContact O-N 2.81Å; F461-P489 HydrophobicContact CD1-CG 4.45Å; F461-R795 HydrophobicContact CE2-CB 4.38Å; F461-K797 HydrophobicContact CB-CD 3.91Å; F461-K797 HydrophobicContact CD1-CB 4.09Å; F461-K797 HydrophobicContact CD1-CD 4.27Å; F461-K797 HydrophobicContact CD2-CB 3.72Å; F461-K797 HydrophobicContact CD2-CD 4.35Å; F461-K797 HydrophobicContact CD2-CG 4.41Å; F461-K797 HydrophobicContact CE1-CB 3.97Å; F461-K797 HydrophobicContact CE2-CB 3.59Å; F461-K797 HydrophobicContact CG-CB 3.94Å; F461-K797 HydrophobicContact CG-CD 3.93Å; F461-K797 HydrophobicContact CG-CG 4.44Å; F461-K797 HydrophobicContact CZ-CB 3.71Å
462	Q	96	Very high	92.7	Very high	127 Å²	127	41.2 Å²	41.2	59%	0.593	22%	0.215	S	C	*	.	H	α-helix	trans	-62.2	-46.7	169	-74.5	167.8	-6.8	0	0	111	Q458 E459 R460 Q465 T466	Q458-Q462 VanDerWaalsContact O-CG 3.27Å; Q458-Q462 WeakPolarHBondContact O-CG 3.42Å; Q458-Q462 PolarHBondContact O-N 3.04Å; E459-Q462 PolarHBondContact O-N 3.27Å; R460-Q462 VanDerWaalsContact C-N 3.35Å; Q462-Q465 PolarHBondContact O-N 2.81Å; Q462-T466 PolarHBondContact O-N 3.22Å; Q462-T466 PolarHBondContact O-OG1 2.89Å
463	E	95.2	Very high	91.9	Very high	37 Å²	37	47.6 Å²	47.6	17%	0.173	24%	0.239	C	C	.	.	H	α-helix	trans	-62.1	-44.5	176.3	-173.5	84.7	-145.5	0	0	111.6	Y282 K298 F300 M316 E459 R460 Q465 T466 F467	Y282-E463 WeakPolarHBondContact CE2-OE1 3.11Å; Y282-E463 PolarHBondContact OH-OE1 2.91Å; K298-E463 HydrophobicContact CD-CG 4.31Å; K298-E463 IonicContact NZ-OE2 2.97Å; K298-E463 PolarHBondContact NZ-OE2 2.84Å; F300-E463 HydrophobicContact CE1-CG 3.69Å; F300-E463 HydrophobicContact CZ-CG 3.7Å; M316-E463 HydrophobicContact CE-CB 4.31Å; M316-E463 HydrophobicContact CE-CG 3.95Å; M316-E463 HydrophobicContact CG-CG 4.47Å; M316-E463 HydrophobicContact SD-CB 3.99Å; M316-E463 HydrophobicContact SD-CG 4.11Å; E459-E463 PolarHBondContact O-N 3.31Å; R460-E463 PolarHBondContact O-N 2.99Å; E463-Q465 VanDerWaalsContact C-N 3.32Å; E463-Q465 PolarHBondContact O-N 3.29Å; E463-T466 WeakPolarHBondContact O-CB 3.3Å; E463-T466 PolarHBondContact O-N 2.95Å; E463-F467 PolarHBondContact O-N 3.01Å
464	L	96.3	Very high	91.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.6	-36.5	177.6	-66.6	174.7	0	0	0	112.4	N128 W130 F300 L314 M316 R460 F461 F467 S468	N128-L464 HydrophobicContact CB-CD1 3.82Å; W130-L464 HydrophobicContact CH2-CB 3.7Å; W130-L464 HydrophobicContact CH2-CD1 4.37Å; W130-L464 HydrophobicContact CZ2-CB 4.42Å; F300-L464 HydrophobicContact CD1-CD2 3.98Å; F300-L464 HydrophobicContact CE1-CD2 4.24Å; L314-L464 HydrophobicContact CB-CD2 4.1Å; L314-L464 WeakPolarHBondContact O-CD1 3.32Å; M316-L464 HydrophobicContact CG-CD2 3.94Å; M316-L464 HydrophobicContact CG-CG 4.3Å; R460-L464 HydrophobicContact CG-CD1 4.01Å; R460-L464 HydrophobicContact CG-CG 4.42Å; R460-L464 VanDerWaalsContact O-CG 3.28Å; R460-L464 WeakPolarHBondContact O-CG 3.09Å; R460-L464 PolarHBondContact O-N 3.38Å; F461-L464 PolarHBondContact O-N 3.44Å; L464-F467 PolarHBondContact O-N 3.41Å; L464-S468 WeakPolarHBondContact O-CB 3.36Å; L464-S468 PolarHBondContact O-N 2.87Å
465	Q	95.7	Very high	90.9	Very high	46 Å²	46	50.1 Å²	50.1	22%	0.215	25%	0.249	C	C	.	.	H	α-helix	trans	-63.7	-44.5	174.6	-175	65.2	61.5	0	0	111.2	F461 Q462 E463 F467 S468 N469 S487 P489	F461-Q465 VanDerWaalsContact O-CB 3.26Å; F461-Q465 WeakPolarHBondContact O-CB 3.32Å; F461-Q465 PolarHBondContact O-N 2.81Å; Q462-Q465 PolarHBondContact O-N 2.81Å; E463-Q465 VanDerWaalsContact C-N 3.32Å; E463-Q465 PolarHBondContact O-N 3.29Å; Q465-F467 VanDerWaalsContact C-N 3.32Å; Q465-F467 PolarHBondContact O-N 3.1Å; Q465-S468 PolarHBondContact O-N 3.04Å; Q465-N469 PolarHBondContact NE2-OD1 3.43Å; Q465-N469 WeakPolarHBondContact O-CB 3.31Å; Q465-N469 PolarHBondContact O-N 3.1Å; Q465-N469 PolarHBondContact O-ND2 3.44Å; Q465-N469 PolarHBondContact O-OD1 2.88Å; Q465-S487 PolarHBondContact NE2-O 3.46Å; Q465-P489 VanDerWaalsContact OE1-CD 3.24Å
466	T	93.4	Very high	90.7	Very high	83 Å²	83	52.5 Å²	52.5	51%	0.509	27%	0.265	S	S	.	.	H	α-helix	trans	-59.6	-44.3	174.4	-61	0	0	0	0	111.2	Q462 E463 N469 S470	Q462-T466 PolarHBondContact O-N 3.22Å; Q462-T466 PolarHBondContact O-OG1 2.89Å; E463-T466 WeakPolarHBondContact O-CB 3.3Å; E463-T466 PolarHBondContact O-N 2.95Å; T466-N469 PolarHBondContact O-N 3.27Å; T466-S470 PolarHBondContact O-N 3.32Å; T466-S470 VanDerWaalsContact O-N 3.13Å
467	F	92.9	Very high	90.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.2	-49.1	176.6	174.9	-124.7	0	0	0	112.2	F272 L280 F300 T302 L314 E463 L464 Q465 N469 S470 M471	F272-F467 HydrophobicContact CD2-CE2 4.04Å; F272-F467 HydrophobicContact CE1-CD2 4.24Å; F272-F467 HydrophobicContact CE1-CE2 4.46Å; F272-F467 AromaticContact CE2-CD2 3.66Å; F272-F467 HydrophobicContact CE2-CD2 3.66Å; F272-F467 AromaticContact CE2-CE2 3.57Å; F272-F467 HydrophobicContact CE2-CE2 3.57Å; F272-F467 AromaticContact CZ-CD2 3.5Å; F272-F467 HydrophobicContact CZ-CD2 3.5Å; F272-F467 AromaticContact CZ-CE2 3.83Å; F272-F467 HydrophobicContact CZ-CE2 3.83Å; L280-F467 HydrophobicContact CD1-CE2 4.25Å; L280-F467 HydrophobicContact CD1-CZ 3.87Å; F300-F467 HydrophobicContact CB-CD1 3.75Å; F300-F467 HydrophobicContact CB-CD2 4.33Å; F300-F467 HydrophobicContact CB-CE1 3.41Å; F300-F467 VanDerWaalsContact CB-CE1 3.41Å; F300-F467 HydrophobicContact CB-CE2 4.06Å; F300-F467 HydrophobicContact CB-CG 4.19Å; F300-F467 HydrophobicContact CB-CZ 3.58Å; F300-F467 HydrophobicContact CD1-CB 3.96Å; F300-F467 AromaticContact CD1-CD1 3.68Å; F300-F467 HydrophobicContact CD1-CD1 3.68Å; F300-F467 HydrophobicContact CD1-CD2 4.41Å; F300-F467 HydrophobicContact CD1-CE1 4.26Å; F300-F467 AromaticContact CD1-CG 3.76Å; F300-F467 HydrophobicContact CD1-CG 3.76Å; F300-F467 HydrophobicContact CD2-CB 4.23Å; F300-F467 HydrophobicContact CD2-CD1 4.13Å; F300-F467 AromaticContact CD2-CD2 3.47Å; F300-F467 HydrophobicContact CD2-CD2 3.47Å; F300-F467 VanDerWaalsContact CD2-CD2 3.47Å; F300-F467 HydrophobicContact CD2-CE1 4.36Å; F300-F467 AromaticContact CD2-CE2 3.76Å; F300-F467 HydrophobicContact CD2-CE2 3.76Å; F300-F467 AromaticContact CD2-CG 3.68Å; F300-F467 HydrophobicContact CD2-CG 3.68Å; F300-F467 HydrophobicContact CD2-CZ 4.19Å; F300-F467 HydrophobicContact CE1-CB 3.7Å; F300-F467 HydrophobicContact CE1-CD1 4.32Å; F300-F467 HydrophobicContact CE1-CG 4.01Å; F300-F467 HydrophobicContact CE2-CB 4.01Å; F300-F467 AromaticContact CE2-CD2 3.82Å; F300-F467 HydrophobicContact CE2-CD2 3.82Å; F300-F467 AromaticContact CE2-CG 3.95Å; F300-F467 HydrophobicContact CE2-CG 3.95Å; F300-F467 HydrophobicContact CG-CB 4.21Å; F300-F467 AromaticContact CG-CD1 3.57Å; F300-F467 HydrophobicContact CG-CD1 3.57Å; F300-F467 AromaticContact CG-CD2 3.8Å; F300-F467 HydrophobicContact CG-CD2 3.8Å; F300-F467 AromaticContact CG-CE1 3.76Å; F300-F467 HydrophobicContact CG-CE1 3.76Å; F300-F467 HydrophobicContact CG-CE2 4.01Å; F300-F467 AromaticContact CG-CG 3.57Å; F300-F467 HydrophobicContact CG-CG 3.57Å; F300-F467 AromaticContact CG-CZ 3.98Å; F300-F467 HydrophobicContact CG-CZ 3.98Å; F300-F467 HydrophobicContact CZ-CB 3.73Å; F300-F467 HydrophobicContact CZ-CD2 4.41Å; F300-F467 HydrophobicContact CZ-CG 4.1Å; T302-F467 HydrophobicContact CG2-CE1 3.79Å; T302-F467 HydrophobicContact CG2-CZ 3.86Å; L314-F467 HydrophobicContact CD1-CD1 4.19Å; L314-F467 HydrophobicContact CD2-CE1 4.06Å; E463-F467 PolarHBondContact O-N 3.01Å; L464-F467 PolarHBondContact O-N 3.41Å; Q465-F467 VanDerWaalsContact C-N 3.32Å; Q465-F467 PolarHBondContact O-N 3.1Å; F467-N469 VanDerWaalsContact C-N 3.29Å; F467-N469 PolarHBondContact O-N 3.23Å; F467-S470 WeakPolarHBondContact O-CA 3.45Å; F467-S470 PolarHBondContact O-N 3.42Å; F467-S470 PolarHBondContact O-OG 2.76Å; F467-M471 HydrophobicContact CD1-CE 4.06Å; F467-M471 HydrophobicContact CE1-CE 3.24Å; F467-M471 HydrophobicContact CE2-CE 4.06Å; F467-M471 HydrophobicContact CZ-CE 3.23Å; F467-M471 PolarHBondContact O-N 3.5Å
468	S	92.7	Very high	90.1	Very high	9 Å²	9	47.5 Å²	47.5	6%	0.063	25%	0.248	C	C	.	.	H	α-helix	trans	-55.3	-44.5	177.3	-170.7	0	0	0	0	111.7	L464 Q465 S470 M471	L464-S468 WeakPolarHBondContact O-CB 3.36Å; L464-S468 PolarHBondContact O-N 2.87Å; Q465-S468 PolarHBondContact O-N 3.04Å; S468-S470 PolarHBondContact O-N 2.87Å; S468-M471 PolarHBondContact O-N 3.02Å
469	N	89.8	Confident	90	Very high	93 Å²	93	54.4 Å²	54.4	50%	0.497	28%	0.277	S	S	.	.	H	α-helix	trans	-67.8	-22.2	177.8	-66.1	-7.5	0	0	0	113.1	Q465 T466 F467 K473	Q465-N469 PolarHBondContact NE2-OD1 3.43Å; Q465-N469 WeakPolarHBondContact O-CB 3.31Å; Q465-N469 PolarHBondContact O-N 3.1Å; Q465-N469 PolarHBondContact O-ND2 3.44Å; Q465-N469 PolarHBondContact O-OD1 2.88Å; T466-N469 PolarHBondContact O-N 3.27Å; F467-N469 VanDerWaalsContact C-N 3.29Å; F467-N469 PolarHBondContact O-N 3.23Å; N469-K473 WeakPolarHBondContact O-CE 3.47Å
470	S	87.4	Confident	89.8	Confident	24 Å²	24	51.8 Å²	51.8	17%	0.168	27%	0.265	C	S	.	.	H	α-helix	trans	-88.4	-25.6	177.7	75.1	0	0	0	0	114	T466 F467 S468	T466-S470 PolarHBondContact O-N 3.32Å; T466-S470 VanDerWaalsContact O-N 3.13Å; F467-S470 WeakPolarHBondContact O-CA 3.45Å; F467-S470 PolarHBondContact O-N 3.42Å; F467-S470 PolarHBondContact O-OG 2.76Å; S468-S470 PolarHBondContact O-N 2.87Å
471	M	84.1	Confident	89.6	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-65.3	-42.1	-170.1	179.8	-179.4	-66.3	0	0	113.4	L264 V267 S268 T302 L314 F467 S468	L264-M471 HydrophobicContact CD2-SD 3.94Å; V267-M471 HydrophobicContact CG2-CG 4.46Å; S268-M471 WeakPolarHBondContact OG-CG 3.34Å; T302-M471 HydrophobicContact CG2-CE 3.52Å; L314-M471 HydrophobicContact CD2-CE 3.73Å; F467-M471 HydrophobicContact CD1-CE 4.06Å; F467-M471 HydrophobicContact CE1-CE 3.24Å; F467-M471 HydrophobicContact CE2-CE 4.06Å; F467-M471 HydrophobicContact CZ-CE 3.23Å; F467-M471 PolarHBondContact O-N 3.5Å; S468-M471 PolarHBondContact O-N 3.02Å
472	L	78.4	Confident	89.5	Confident	41 Å²	41	52 Å²	52	22%	0.215	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	40.1	-172.3	-61.7	-173.9	0	0	0	113.5	V267 I478 V485	V267-L472 HydrophobicContact CG2-CD2 4.09Å; L472-I478 HydrophobicContact CB-CD1 4.1Å; L472-I478 HydrophobicContact CD2-CD1 4.07Å; L472-I478 HydrophobicContact CD2-CG1 4.07Å; L472-V485 HydrophobicContact CD1-CB 3.71Å; L472-V485 HydrophobicContact CD1-CG2 3.62Å; L472-V485 HydrophobicContact CG-CG2 4.43Å
473	K	75.9	Confident	89.4	Confident	159 Å²	159	46.5 Å²	46.5	69%	0.691	25%	0.249	S	C	*	.	S	Bend	trans	-77.3	-54	-175.1	-77.8	-179.1	168.6	180	0	114.3	N469	N469-K473 WeakPolarHBondContact O-CE 3.47Å
474	S	77	Confident	89.4	Confident	78 Å²	78	47.2 Å²	47.2	55%	0.545	26%	0.261	S	S	.	.	S	Bend	trans	-162.8	88.7	-172.6	52.6	0	0	0	0	111.9	Q270	Q270-S474 PolarHBondContact NE2-O 3Å; Q270-S474 PolarHBondContact OE1-O 3.29Å
475	H	86	Confident	89.2	Confident	38 Å²	38	48.5 Å²	48.5	18%	0.176	27%	0.269	C	S	.	.			trans	-144.2	136.4	171.4	-165.3	-74.7	0	0	0	110.3	V267 L477 I478	V267-H475 HydrophobicContact CB-CB 3.81Å; V267-H475 HydrophobicContact CG1-CB 3.76Å; H475-L477 VanDerWaalsContact C-N 3.27Å; H475-L477 VanDerWaalsContact CE1-CD1 3.44Å; H475-L477 WeakPolarHBondContact CE1-CD1 3.34Å; H475-L477 VanDerWaalsContact CE1-CG 3.49Å; H475-L477 WeakPolarHBondContact CE1-CG 3.24Å; H475-L477 WeakPolarHBondContact ND1-CB 3.11Å; H475-L477 WeakPolarHBondContact ND1-CG 3.43Å; H475-L477 PolarHBondContact ND1-N 3.43Å; H475-L477 PolarHBondContact O-N 3.48Å; H475-I478 HydrophobicContact CB-CD1 3.98Å; H475-I478 HydrophobicContact CB-CG1 4.09Å; H475-I478 VanDerWaalsContact O-CB 3.31Å; H475-I478 WeakPolarHBondContact O-CB 3.36Å; H475-I478 WeakPolarHBondContact O-CG1 3.44Å; H475-I478 PolarHBondContact O-N 2.97Å
476	P	88.3	Confident	89.1	Confident	73 Å²	73	50.8 Å²	50.8	47%	0.474	28%	0.28	S	S	.	.	H	α-helix	trans	-52.1	-42	-178.5	-29.6	35.4	0	0	0	114.1	I478 K479 Q480	P476-I478 PolarHBondContact O-N 3.29Å; P476-I478 VanDerWaalsContact O-N 3.11Å; P476-K479 PolarHBondContact O-N 3.32Å; P476-K479 VanDerWaalsContact O-N 3.16Å; P476-Q480 PolarHBondContact O-N 3.31Å
477	L	89.5	Confident	88.9	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-53.2	-29.3	175.6	-65.2	174.4	0	0	0	114.5	I185 I263 T266 V267 H475 Q480 F481	I185-L477 HydrophobicContact CD1-CD2 4.07Å; I185-L477 HydrophobicContact CG1-CD1 3.77Å; I185-L477 HydrophobicContact CG1-CD2 3.74Å; I185-L477 HydrophobicContact CG1-CG 4.44Å; I263-L477 HydrophobicContact CG2-CB 4.13Å; I263-L477 HydrophobicContact CG2-CD1 4.28Å; T266-L477 HydrophobicContact CG2-CD1 3.81Å; V267-L477 HydrophobicContact CG1-CB 3.96Å; V267-L477 HydrophobicContact CG1-CD1 4.42Å; H475-L477 VanDerWaalsContact C-N 3.27Å; H475-L477 VanDerWaalsContact CE1-CD1 3.44Å; H475-L477 WeakPolarHBondContact CE1-CD1 3.34Å; H475-L477 VanDerWaalsContact CE1-CG 3.49Å; H475-L477 WeakPolarHBondContact CE1-CG 3.24Å; H475-L477 WeakPolarHBondContact ND1-CB 3.11Å; H475-L477 WeakPolarHBondContact ND1-CG 3.43Å; H475-L477 PolarHBondContact ND1-N 3.43Å; H475-L477 PolarHBondContact O-N 3.48Å; L477-Q480 PolarHBondContact O-N 3.12Å; L477-F481 HydrophobicContact CD2-CD2 4.26Å; L477-F481 HydrophobicContact CD2-CE2 3.95Å; L477-F481 PolarHBondContact O-N 2.86Å
478	I	90.6	Very high	89.1	Confident	27 Å²	27	59.6 Å²	59.6	14%	0.138	32%	0.316	C	S	.	.	H	α-helix	trans	-63.3	-51	179.1	-61	171.9	0	0	0	109.8	V267 L472 H475 P476 G482 L483	V267-I478 HydrophobicContact CB-CD1 4.48Å; V267-I478 HydrophobicContact CB-CG1 4.29Å; V267-I478 HydrophobicContact CG1-CG1 3.92Å; L472-I478 HydrophobicContact CB-CD1 4.1Å; L472-I478 HydrophobicContact CD2-CD1 4.07Å; L472-I478 HydrophobicContact CD2-CG1 4.07Å; H475-I478 HydrophobicContact CB-CD1 3.98Å; H475-I478 HydrophobicContact CB-CG1 4.09Å; H475-I478 VanDerWaalsContact O-CB 3.31Å; H475-I478 WeakPolarHBondContact O-CB 3.36Å; H475-I478 WeakPolarHBondContact O-CG1 3.44Å; H475-I478 PolarHBondContact O-N 2.97Å; P476-I478 PolarHBondContact O-N 3.29Å; P476-I478 VanDerWaalsContact O-N 3.11Å; I478-G482 CarbonylContact O-C 3.57Å; I478-G482 VanDerWaalsContact O-CA 3.28Å; I478-G482 WeakPolarHBondContact O-CA 3.34Å; I478-G482 PolarHBondContact O-N 3.31Å; I478-L483 HydrophobicContact CG2-CB 4.28Å; I478-L483 WeakPolarHBondContact CG2-O 3.44Å; I478-L483 PolarHBondContact O-N 2.93Å
479	K	91.8	Very high	89.3	Confident	189 Å²	189	60.1 Å²	60.1	82%	0.822	32%	0.319	S	S	*	.	H	α-helix	trans	-68.1	-41.5	177.1	-174.3	179.3	179.2	-177.9	0	110.8	P476 F481 G482	P476-K479 PolarHBondContact O-N 3.32Å; P476-K479 VanDerWaalsContact O-N 3.16Å; K479-F481 PolarHBondContact O-N 3.22Å; K479-G482 PolarHBondContact O-N 3.46Å
480	Q	90.7	Very high	89.6	Confident	38 Å²	38	56.4 Å²	56.4	18%	0.178	30%	0.3	C	S	.	.	H	α-helix	trans	-60.9	-42.4	-177.7	-173.6	179.6	-10.6	0	0	112.8	K137 E195 P476 L477	K137-Q480 WeakPolarHBondContact CD-O 3.14Å; K137-Q480 WeakPolarHBondContact CE-O 3.4Å; K137-Q480 PolarHBondContact NZ-O 3.31Å; E195-Q480 WeakPolarHBondContact OE2-CG 3.37Å; E195-Q480 PolarHBondContact OE2-NE2 3.21Å; P476-Q480 PolarHBondContact O-N 3.31Å; L477-Q480 PolarHBondContact O-N 3.12Å
481	F	93.7	Very high	90.1	Very high	1 Å²	1	59.5 Å²	59.5	0%	0.004	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	4.2	177	-74.3	-96.9	0	0	0	113.1	F134 L135 K137 V139 I185 T235 I263 L477 K479 L483	F134-F481 CarbonylContact C-O 3.51Å; F134-F481 WeakPolarHBondContact CA-O 3.31Å; L135-F481 PolarHBondContact N-O 3.16Å; K137-F481 HydrophobicContact CB-CD1 4.32Å; K137-F481 HydrophobicContact CB-CE1 4.16Å; K137-F481 HydrophobicContact CD-CD1 4.27Å; K137-F481 HydrophobicContact CD-CE1 4.38Å; V139-F481 HydrophobicContact CG1-CE1 4Å; V139-F481 HydrophobicContact CG1-CZ 3.8Å; I185-F481 HydrophobicContact CD1-CE2 3.73Å; I185-F481 HydrophobicContact CD1-CZ 3.7Å; T235-F481 HydrophobicContact CG2-CD1 4.31Å; T235-F481 HydrophobicContact CG2-CE1 4.36Å; I263-F481 HydrophobicContact CD1-CD1 3.8Å; I263-F481 HydrophobicContact CD1-CD2 4.05Å; I263-F481 HydrophobicContact CD1-CE1 3.76Å; I263-F481 HydrophobicContact CD1-CE2 4.04Å; I263-F481 HydrophobicContact CD1-CG 3.94Å; I263-F481 HydrophobicContact CD1-CZ 3.88Å; L477-F481 HydrophobicContact CD2-CD2 4.26Å; L477-F481 HydrophobicContact CD2-CE2 3.95Å; L477-F481 PolarHBondContact O-N 2.86Å; K479-F481 PolarHBondContact O-N 3.22Å; F481-L483 HydrophobicContact CB-CD2 3.86Å; F481-L483 HydrophobicContact CB-CG 3.89Å; F481-L483 PolarHBondContact O-N 2.81Å
482	G	94.2	Very high	90.7	Very high	28 Å²	28	59.5 Å²	59.5	29%	0.289	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	40	-175.6	0	0	0	0	0	113.6	F134 I478 K479 A484	F134-G482 WeakPolarHBondContact CA-O 3.38Å; I478-G482 CarbonylContact O-C 3.57Å; I478-G482 VanDerWaalsContact O-CA 3.28Å; I478-G482 WeakPolarHBondContact O-CA 3.34Å; I478-G482 PolarHBondContact O-N 3.31Å; K479-G482 PolarHBondContact O-N 3.46Å; G482-A484 PolarHBondContact O-N 3.42Å
483	L	94.6	Very high	91.6	Very high	10 Å²	10	60.4 Å²	60.4	5%	0.052	32%	0.324	C	S	.	.			trans	-68.6	123	-177.5	-56.8	175.1	0	0	0	110.1	A133 F134 L260 I263 I478 F481	A133-L483 WeakPolarHBondContact O-CA 3.41Å; F134-L483 HydrophobicContact CB-CD2 3.86Å; L260-L483 HydrophobicContact CD2-CD2 4.27Å; I263-L483 HydrophobicContact CG2-CD1 3.44Å; I263-L483 VanDerWaalsContact CG2-CD1 3.44Å; I478-L483 HydrophobicContact CG2-CB 4.28Å; I478-L483 WeakPolarHBondContact CG2-O 3.44Å; I478-L483 PolarHBondContact O-N 2.93Å; F481-L483 HydrophobicContact CB-CD2 3.86Å; F481-L483 HydrophobicContact CB-CG 3.89Å; F481-L483 PolarHBondContact O-N 2.81Å
484	A	93.9	Very high	92.6	Very high	53 Å²	53	52.9 Å²	52.9	44%	0.438	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	122.7	170.8	0	0	0	0	0	109.6	L132 A133 G482	L132-A484 WeakPolarHBondContact CA-O 3.34Å; A133-A484 HydrophobicContact CB-CB 4.34Å; A133-A484 PolarHBondContact N-O 3.26Å; A133-A484 PolarHBondContact O-N 2.89Å; G482-A484 PolarHBondContact O-N 3.42Å
485	V	93.1	Very high	93.6	Very high	26 Å²	26	49.6 Å²	49.6	16%	0.158	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	129.9	171.1	173.3	0	0	0	0	107.3	W130 L132 V312 L472	W130-V485 HydrophobicContact CB-CG1 3.57Å; W130-V485 HydrophobicContact CG-CG1 3.98Å; L132-V485 HydrophobicContact CD1-CG2 3.61Å; V312-V485 HydrophobicContact CG1-CG1 4.03Å; V312-V485 HydrophobicContact CG1-CG2 3.99Å; L472-V485 HydrophobicContact CD1-CB 3.71Å; L472-V485 HydrophobicContact CD1-CG2 3.62Å; L472-V485 HydrophobicContact CG-CG2 4.43Å
486	Q	92.7	Very high	94.2	Very high	95 Å²	95	48.4 Å²	48.4	44%	0.444	26%	0.263	S	S	.	.			trans	-56.4	150.6	178.9	-169	173.4	6.5	0	0	111	D131 R488	D131-Q486 HydrophobicContact CB-CB 4.27Å; D131-Q486 PolarHBondContact O-N 3.06Å; Q486-R488 PolarHBondContact O-N 3.31Å
487	S	90.7	Very high	94.7	Very high	83 Å²	83	44.9 Å²	44.9	58%	0.58	24%	0.24	S	C	*	.	S	Bend	trans	-70	-17.9	-176.8	60.6	0	0	0	0	114.3	Q465	Q465-S487 PolarHBondContact NE2-O 3.46Å
488	R	95.1	Very high	95	Very high	185 Å²	185	51 Å²	51	70%	0.698	27%	0.269	S	S	*	.	S	Bend	trans	-129.2	147.3	-177.4	-66.5	-175.7	-178.8	-175.7	1.5	110.8	W130 Q486	W130-R488 VanDerWaalsContact NE1-C 3.31Å; Q486-R488 PolarHBondContact O-N 3.31Å
489	P	96.9	Very high	95.3	Very high	20 Å²	20	50.9 Å²	50.9	13%	0.13	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-63.5	156.9	170.4	26	-33.8	0	0	0	110.9	T126 S127 C129 W130 F461 Q465 D491	T126-P489 HydrophobicContact CG2-CB 3.68Å; T126-P489 HydrophobicContact CG2-CG 3.46Å; T126-P489 VanDerWaalsContact CG2-CG 3.46Å; S127-P489 VanDerWaalsContact O-CB 3.3Å; S127-P489 WeakPolarHBondContact O-CB 3.21Å; C129-P489 CarbonylContact O-C 3.55Å; C129-P489 VanDerWaalsContact O-CA 3.31Å; C129-P489 WeakPolarHBondContact O-CA 3.22Å; W130-P489 HydrophobicContact CD2-CB 4.11Å; W130-P489 HydrophobicContact CE3-CB 4.47Å; W130-P489 HydrophobicContact CH2-CB 3.98Å; W130-P489 HydrophobicContact CZ2-CB 3.63Å; W130-P489 HydrophobicContact CZ2-CG 3.92Å; W130-P489 HydrophobicContact CZ3-CB 4.4Å; W130-P489 VanDerWaalsContact NE1-N 3.15Å; F461-P489 HydrophobicContact CD1-CG 4.45Å; Q465-P489 VanDerWaalsContact OE1-CD 3.24Å; P489-D491 PolarHBondContact O-N 3.29Å
490	V	97	Very high	95.5	Very high	14 Å²	14	42 Å²	42	9%	0.085	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-78.9	122.2	-177.5	178.4	0	0	0	0	110.3	S127 C129 D131 V492	S127-V490 PolarHBondContact N-O 3.27Å; S127-V490 PolarHBondContact OG-O 3.17Å; C129-V490 WeakPolarHBondContact O-CG2 3.32Å; C129-V490 PolarHBondContact O-N 3.29Å; D131-V490 WeakPolarHBondContact OD1-CG2 3.46Å; V490-V492 HydrophobicContact CG1-CG1 3.86Å
491	D	97.6	Very high	95.7	Very high	90 Å²	90	41.9 Å²	41.9	48%	0.481	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	129.7	163.3	-70.1	-33.8	0	0	0	109.2	T124 V125 T126 P489	T124-D491 HydrophobicContact CG2-CB 3.81Å; V125-D491 WeakPolarHBondContact O-CA 3.31Å; T126-D491 WeakPolarHBondContact CA-OD1 3.41Å; T126-D491 VanDerWaalsContact CB-OD1 3.24Å; T126-D491 WeakPolarHBondContact CB-OD1 3.21Å; T126-D491 WeakPolarHBondContact CG2-OD1 3.38Å; T126-D491 PolarHBondContact OG1-OD1 3.41Å; P489-D491 PolarHBondContact O-N 3.29Å
492	V	96.9	Very high	95.8	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	146.4	-176.7	-61.9	0	0	0	0	110.9	V125 V490 F796 V812 E815 I816	V125-V492 HydrophobicContact CG2-CG2 3.5Å; V125-V492 PolarHBondContact N-O 3.25Å; V125-V492 VanDerWaalsContact N-O 3.08Å; V125-V492 WeakPolarHBondContact O-CG2 3.4Å; V125-V492 PolarHBondContact O-N 3.16Å; V490-V492 HydrophobicContact CG1-CG1 3.86Å; V492-F796 HydrophobicContact CG2-CE1 4.48Å; V492-V812 HydrophobicContact CB-CG1 4.41Å; V492-V812 HydrophobicContact CG2-CG1 3.95Å; V492-V812 HydrophobicContact CG2-CG2 4.24Å; V492-E815 HydrophobicContact CG1-CB 4.18Å; V492-I816 HydrophobicContact CG1-CG1 4.4Å; V492-I816 HydrophobicContact CG1-CG2 3.66Å
493	S	96.6	Very high	95.8	Very high	60 Å²	60	40.7 Å²	40.7	42%	0.42	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	132.3	170.4	-161.3	0	0	0	0	110.2	E815	S493-E815 WeakPolarHBondContact CB-OE1 3.46Å; S493-E815 PolarHBondContact N-OE1 3.26Å
494	A	98.1	Very high	95.7	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.008	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	167.6	-179.4	0	0	0	0	0	110.3	V123 V125 T810 V811 V812	V123-A494 HydrophobicContact CG2-CB 3.92Å; V123-A494 PolarHBondContact N-O 3.07Å; V123-A494 CarbonylContact O-C 3.6Å; V123-A494 PolarHBondContact O-N 3.14Å; V125-A494 HydrophobicContact CG1-CB 4.23Å; V125-A494 HydrophobicContact CG2-CB 3.94Å; A494-T810 HydrophobicContact CB-CG2 4.23Å; A494-V811 WeakPolarHBondContact CA-O 3.5Å; A494-V811 WeakPolarHBondContact CB-O 3.39Å; A494-V812 HydrophobicContact CB-CG2 3.76Å
495	R	98.1	Very high	95.2	Very high	9 Å²	9	39.9 Å²	39.9	3%	0.034	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	149.2	173.1	-65.5	170.9	-66.3	123.9	-3.9	109.8	G117 V119 R121 K122 T810 V811 D813 D853	G117-R495 WeakPolarHBondContact O-CD 3.26Å; G117-R495 VanDerWaalsContact O-CZ 3.24Å; G117-R495 PolarHBondContact O-NE 3.14Å; V119-R495 WeakPolarHBondContact O-CD 3.25Å; V119-R495 PolarHBondContact O-NH1 3.14Å; R121-R495 CarbonylContact O-C 3.33Å; R121-R495 VanDerWaalsContact O-CA 3.3Å; R121-R495 WeakPolarHBondContact O-CA 3.31Å; K122-R495 HydrophobicContact CG-CG 4.41Å; R495-T810 CarbonylContact O-C 3.5Å; R495-T810 VanDerWaalsContact O-CA 3.25Å; R495-T810 WeakPolarHBondContact O-CA 3.24Å; R495-V811 HydrophobicContact CB-CG1 3.93Å; R495-V811 PolarHBondContact N-O 2.94Å; R495-V811 PolarHBondContact O-N 2.84Å; R495-D813 IonicContact NH2-OD1 3.46Å; R495-D813 IonicContact NH2-OD2 2.84Å; R495-D813 PolarHBondContact NH2-OD2 3.14Å; R495-D853 IonicContact CZ-OD1 3.07Å; R495-D853 IonicContact NH1-OD1 3.82Å; R495-D853 PolarHBondContact NH1-OD1 2.89Å; R495-D853 IonicContact NH2-OD1 3.16Å
496	V	98	Very high	94	Very high	13 Å²	13	48.9 Å²	48.9	8%	0.079	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	108.7	168.7	-174.2	0	0	0	0	107.8	G120 R121 V123 E807	G120-V496 WeakPolarHBondContact CA-O 3.44Å; R121-V496 PolarHBondContact N-O 2.75Å; R121-V496 PolarHBondContact O-N 3.4Å; V123-V496 HydrophobicContact CG1-CG2 3.94Å; V123-V496 HydrophobicContact CG2-CG2 3.84Å; V496-E807 HydrophobicContact CG1-CB 4Å; V496-E807 HydrophobicContact CG2-CB 4.25Å
497	L	98.2	Very high	92.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-69.1	143.4	175.7	-56.9	-174.1	0	0	0	110.3	V119 G809 V811 L826 Q856 M857 Y860	V119-L497 WeakPolarHBondContact O-CD2 3.34Å; L497-G809 PolarHBondContact N-O 3.1Å; L497-V811 HydrophobicContact CD1-CB 4.41Å; L497-V811 HydrophobicContact CD1-CG1 4.23Å; L497-V811 HydrophobicContact CD2-CG1 3.83Å; L497-V811 HydrophobicContact CG-CB 4.41Å; L497-V811 HydrophobicContact CG-CG1 3.86Å; L497-L826 HydrophobicContact CD1-CD1 4.23Å; L497-Q856 HydrophobicContact CD1-CB 4.11Å; L497-M857 HydrophobicContact CB-CE 3.91Å; L497-M857 HydrophobicContact CB-SD 4.03Å; L497-M857 HydrophobicContact CD1-CE 4.25Å; L497-M857 HydrophobicContact CD1-SD 4.37Å; L497-M857 HydrophobicContact CD2-CE 3.71Å; L497-M857 HydrophobicContact CG-CE 4.15Å; L497-Y860 HydrophobicContact CB-CD1 3.65Å; L497-Y860 HydrophobicContact CB-CE1 3.91Å; L497-Y860 HydrophobicContact CB-CG 4.49Å; L497-Y860 HydrophobicContact CD1-CD1 4.27Å; L497-Y860 HydrophobicContact CD1-CG 4.41Å
498	Q	96.9	Very high	92.4	Very high	129 Å²	129	52.7 Å²	52.7	60%	0.603	26%	0.263	S	S	*	.	P	Polyproline II helix	trans	-71.9	137.4	179.1	-70	-67.2	0.8	0	0	110.5	Y860	Q498-Y860 WeakPolarHBondContact O-CE1 3.35Å
499	P	97.1	Very high	92.2	Very high	24 Å²	24	47.8 Å²	47.8	16%	0.156	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-60.7	151.7	170.3	-21.1	33.2	0	0	0	111.5	L512 A514 Y864	P499-L512 WeakPolarHBondContact CB-O 3.37Å; P499-A514 HydrophobicContact CG-CB 3.8Å; P499-Y864 HydrophobicContact CB-CE1 4.4Å
500	P	96.4	Very high	92	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.013	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-73.9	170	178	29.6	-32.5	0	0	0	112.2	L512 I653 D655 H861 Y864	P500-L512 WeakPolarHBondContact O-CB 3.48Å; P500-L512 PolarHBondContact O-N 2.76Å; P500-I653 HydrophobicContact CB-CG2 3.64Å; P500-I653 HydrophobicContact CG-CD1 4.31Å; P500-I653 HydrophobicContact CG-CG2 4.07Å; P500-D655 HydrophobicContact CB-CB 4.33Å; P500-H861 HydrophobicContact CB-CB 4.49Å; P500-Y864 HydrophobicContact CG-CD1 3.95Å; P500-Y864 HydrophobicContact CG-CD2 3.7Å; P500-Y864 HydrophobicContact CG-CE1 4.42Å; P500-Y864 HydrophobicContact CG-CE2 4.19Å; P500-Y864 HydrophobicContact CG-CG 3.58Å
501	S	95.1	Very high	91.8	Very high	35 Å²	35	52.9 Å²	52.9	25%	0.245	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	152.3	160	-57.2	0	0	0	0	110.6	I510 P654 D655	S501-I510 CarbonylContact C-O 3.47Å; S501-I510 VanDerWaalsContact CA-O 3.31Å; S501-I510 WeakPolarHBondContact CA-O 3.38Å; S501-P654 WeakPolarHBondContact O-CD 3.39Å; S501-D655 WeakPolarHBondContact CB-OD2 2.92Å; S501-D655 PolarHBondContact N-OD2 2.8Å
502	A	94.9	Very high	91.6	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	139.4	174.8	0	0	0	0	0	112.1	F504 V509 I510 L512 Q652 I653	A502-F504 HydrophobicContact CB-CD2 4.43Å; A502-F504 HydrophobicContact CB-CE2 3.63Å; A502-F504 HydrophobicContact CB-CZ 4.01Å; A502-V509 WeakPolarHBondContact O-CA 3.4Å; A502-I510 PolarHBondContact N-O 2.85Å; A502-I510 PolarHBondContact O-N 3.28Å; A502-L512 HydrophobicContact CB-CD1 3.65Å; A502-L512 HydrophobicContact CB-CD2 3.78Å; A502-L512 HydrophobicContact CB-CG 3.71Å; A502-Q652 CarbonylContact C-O 3.58Å; A502-Q652 WeakPolarHBondContact CA-O 3.3Å; A502-Q652 WeakPolarHBondContact CB-O 3.39Å; A502-I653 HydrophobicContact CB-CD1 3.82Å
503	A	94.2	Very high	91.3	Very high	5 Å²	5	56.9 Å²	56.9	4%	0.041	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	130	174.5	0	0	0	0	0	110.3	R508 V509 Y523 W651 Q652 P654	A503-R508 WeakPolarHBondContact CA-O 3.31Å; A503-V509 HydrophobicContact CB-CG2 4.12Å; A503-Y523 HydrophobicContact CB-CD2 3.88Å; A503-Y523 HydrophobicContact CB-CE2 3.97Å; A503-W651 VanDerWaalsContact O-CA 3.31Å; A503-W651 WeakPolarHBondContact O-CA 3.3Å; A503-W651 WeakPolarHBondContact O-CB 3.26Å; A503-Q652 HydrophobicContact CB-CB 4.41Å; A503-Q652 PolarHBondContact N-O 3.05Å; A503-Q652 PolarHBondContact O-N 3.3Å; A503-Q652 VanDerWaalsContact O-N 3.12Å; A503-P654 HydrophobicContact CB-CG 4.06Å
504	F	93	Very high	90.9	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.009	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	160.2	173.2	-59.8	-90.7	0	0	0	109.6	A502 S507 R508 I510 L512 W517 S519 P520 G521 W651	A502-F504 HydrophobicContact CB-CD2 4.43Å; A502-F504 HydrophobicContact CB-CE2 3.63Å; A502-F504 HydrophobicContact CB-CZ 4.01Å; F504-S507 PolarHBondContact O-N 3.2Å; F504-R508 PolarHBondContact N-O 3.2Å; F504-R508 PolarHBondContact O-N 3.05Å; F504-I510 HydrophobicContact CD2-CD1 3.81Å; F504-I510 HydrophobicContact CD2-CG1 3.81Å; F504-I510 HydrophobicContact CE2-CD1 3.48Å; F504-I510 VanDerWaalsContact CE2-CD1 3.48Å; F504-I510 HydrophobicContact CE2-CG1 3.55Å; F504-I510 HydrophobicContact CZ-CD1 4.4Å; F504-L512 HydrophobicContact CE2-CD2 4.08Å; F504-L512 HydrophobicContact CZ-CD2 4.19Å; F504-W517 AromaticContact CZ-CD1 3.63Å; F504-W517 AromaticContact CZ-NE1 3.78Å; F504-S519 WeakPolarHBondContact CD1-OG 3.49Å; F504-S519 VanDerWaalsContact CE1-OG 3.31Å; F504-S519 WeakPolarHBondContact CE1-OG 3.36Å; F504-P520 HydrophobicContact CB-CG 3.71Å; F504-P520 HydrophobicContact CD1-CG 4.24Å; F504-P520 HydrophobicContact CD2-CG 4.22Å; F504-P520 HydrophobicContact CG-CG 3.81Å; F504-G521 WeakPolarHBondContact CD1-O 3.38Å; F504-W651 HydrophobicContact CD1-CB 3.77Å; F504-W651 HydrophobicContact CE1-CB 3.48Å; F504-W651 VanDerWaalsContact CE1-CB 3.48Å; F504-W651 HydrophobicContact CE1-CD2 4.21Å; F504-W651 AromaticContact CE1-CE3 3.95Å; F504-W651 HydrophobicContact CE1-CE3 3.95Å; F504-W651 HydrophobicContact CE1-CG 4.04Å; F504-W651 HydrophobicContact CG-CB 4.46Å; F504-W651 HydrophobicContact CZ-CB 3.89Å; F504-W651 HydrophobicContact CZ-CG 4.29Å
505	G	83.4	Confident	90.4	Very high	44 Å²	44	56 Å²	56	45%	0.454	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	37.8	81.8	171.1	0	0	0	0	0	114.9	S507 F522	G505-S507 PolarHBondContact O-N 2.65Å; G505-F522 WeakPolarHBondContact CA-O 3.05Å; G505-F522 PolarHBondContact N-O 2.85Å
506	R	67.2	Low	90.1	Very high	215 Å²	215	57.5 Å²	57.5	81%	0.811	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	37.1	46.4	179.2	-64.7	-172.5	179.1	175.5	-0.4	115
507	S	69.1	Low	89.8	Confident	88 Å²	88	58.1 Å²	58.1	62%	0.615	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	108.9	17.8	161.8	-48.5	0	0	0	0	118.7	F504 G505 V509	F504-S507 PolarHBondContact O-N 3.2Å; G505-S507 PolarHBondContact O-N 2.65Å; S507-V509 PolarHBondContact O-N 3.45Å
508	R	81.6	Confident	89.3	Confident	169 Å²	169	63.9 Å²	63.9	64%	0.638	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	106.4	164.2	-172.8	-179.5	178	178.1	1.5	110	A503 F504 I510	A503-R508 WeakPolarHBondContact CA-O 3.31Å; F504-R508 PolarHBondContact N-O 3.2Å; F504-R508 PolarHBondContact O-N 3.05Å; R508-I510 HydrophobicContact CG-CG2 4.15Å
509	V	90.3	Very high	88.6	Confident	83 Å²	83	59.2 Å²	59.2	50%	0.503	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	128.7	174.1	-175.6	0	0	0	0	109.9	A502 A503 S507	A502-V509 WeakPolarHBondContact O-CA 3.4Å; A503-V509 HydrophobicContact CB-CG2 4.12Å; S507-V509 PolarHBondContact O-N 3.45Å
510	I	92	Very high	88	Confident	47 Å²	47	61.4 Å²	61.4	24%	0.241	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	143.3	174.9	65.2	175.1	0	0	0	110.1	S501 A502 F504 R508 L512	S501-I510 CarbonylContact C-O 3.47Å; S501-I510 VanDerWaalsContact CA-O 3.31Å; S501-I510 WeakPolarHBondContact CA-O 3.38Å; A502-I510 PolarHBondContact N-O 2.85Å; A502-I510 PolarHBondContact O-N 3.28Å; F504-I510 HydrophobicContact CD2-CD1 3.81Å; F504-I510 HydrophobicContact CD2-CG1 3.81Å; F504-I510 HydrophobicContact CE2-CD1 3.48Å; F504-I510 VanDerWaalsContact CE2-CD1 3.48Å; F504-I510 HydrophobicContact CE2-CG1 3.55Å; F504-I510 HydrophobicContact CZ-CD1 4.4Å; R508-I510 HydrophobicContact CG-CG2 4.15Å; I510-L512 HydrophobicContact CD1-CD2 4.32Å; I510-L512 HydrophobicContact CG1-CD2 4.19Å; I510-L512 PolarHBondContact O-N 2.87Å
511	S	92.8	Very high	87.7	Confident	94 Å²	94	61.9 Å²	61.9	66%	0.657	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71	126	169.1	-178.3	0	0	0	0	109.3
512	L	93.9	Very high	87.7	Confident	8 Å²	8	60.5 Å²	60.5	4%	0.042	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-79.7	149.4	-178.5	-65	-172.7	0	0	0	111.5	P499 P500 A502 F504 I510 W517 I653 Y864	P499-L512 WeakPolarHBondContact CB-O 3.37Å; P500-L512 WeakPolarHBondContact O-CB 3.48Å; P500-L512 PolarHBondContact O-N 2.76Å; A502-L512 HydrophobicContact CB-CD1 3.65Å; A502-L512 HydrophobicContact CB-CD2 3.78Å; A502-L512 HydrophobicContact CB-CG 3.71Å; F504-L512 HydrophobicContact CE2-CD2 4.08Å; F504-L512 HydrophobicContact CZ-CD2 4.19Å; I510-L512 HydrophobicContact CD1-CD2 4.32Å; I510-L512 HydrophobicContact CG1-CD2 4.19Å; I510-L512 PolarHBondContact O-N 2.87Å; L512-W517 HydrophobicContact CD1-CD2 3.9Å; L512-W517 HydrophobicContact CD1-CE3 3.99Å; L512-W517 HydrophobicContact CD1-CG 4.35Å; L512-W517 HydrophobicContact CD1-CH2 4.48Å; L512-W517 HydrophobicContact CD1-CZ2 4.37Å; L512-W517 HydrophobicContact CD1-CZ3 4.29Å; L512-W517 HydrophobicContact CD2-CB 3.8Å; L512-W517 HydrophobicContact CD2-CD2 4.13Å; L512-W517 HydrophobicContact CD2-CG 3.68Å; L512-I653 HydrophobicContact CD1-CD1 4.31Å; L512-Y864 HydrophobicContact CB-CE1 4.39Å; L512-Y864 HydrophobicContact CD1-CD1 3.58Å; L512-Y864 HydrophobicContact CD1-CE1 4.18Å; L512-Y864 HydrophobicContact CD1-CG 4.48Å
513	K	91.1	Very high	87.7	Confident	166 Å²	166	63.3 Å²	63.3	72%	0.722	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-76.6	147.4	167.3	-65.4	-176.9	-179.6	-176.3	0	109.9	G515 S516	K513-G515 PolarHBondContact O-N 2.73Å; K513-S516 WeakPolarHBondContact CB-O 3.3Å
514	A	87	Confident	87.7	Confident	44 Å²	44	65.1 Å²	65.1	36%	0.364	36%	0.355	S	S	.	.	S	Bend	trans	-55.6	123.5	175.9	0	0	0	0	0	110.9	P499 S516 P808	P499-A514 HydrophobicContact CG-CB 3.8Å; A514-S516 VanDerWaalsContact C-N 3.31Å; A514-S516 PolarHBondContact O-N 3.39Å; A514-S516 VanDerWaalsContact O-N 3.13Å; A514-P808 HydrophobicContact CB-CB 4.14Å; A514-P808 HydrophobicContact CB-CG 4.17Å
515	G	88.1	Confident	87.8	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.361	C	S	.	.	S	Bend	trans	81.1	-28.2	172.1	0	0	0	0	0	117.2	K513 Y864 R871 S872	K513-G515 PolarHBondContact O-N 2.73Å; G515-Y864 PolarHBondContact N-OH 2.76Å; G515-R871 VanDerWaalsContact O-CA 3.23Å; G515-R871 WeakPolarHBondContact O-CA 3.42Å; G515-R871 WeakPolarHBondContact O-CB 3.36Å; G515-S872 PolarHBondContact O-N 3.08Å
516	S	92.1	Very high	88.4	Confident	39 Å²	39	64.1 Å²	64.1	27%	0.273	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-158.9	149.8	178.5	69.1	0	0	0	0	114.9	K513 A514 S870	K513-S516 WeakPolarHBondContact CB-O 3.3Å; A514-S516 VanDerWaalsContact C-N 3.31Å; A514-S516 PolarHBondContact O-N 3.39Å; A514-S516 VanDerWaalsContact O-N 3.13Å; S516-S870 WeakPolarHBondContact CA-O 3.17Å
517	W	92.3	Very high	89.6	Confident	27 Å²	27	54.9 Å²	54.9	10%	0.102	31%	0.312	C	S	.	.			trans	-147.6	172.6	179.7	60.3	99.2	0	0	0	112.3	F504 L512 W651 Y864 S870 R871 S872	F504-W517 AromaticContact CZ-CD1 3.63Å; F504-W517 AromaticContact CZ-NE1 3.78Å; L512-W517 HydrophobicContact CD1-CD2 3.9Å; L512-W517 HydrophobicContact CD1-CE3 3.99Å; L512-W517 HydrophobicContact CD1-CG 4.35Å; L512-W517 HydrophobicContact CD1-CH2 4.48Å; L512-W517 HydrophobicContact CD1-CZ2 4.37Å; L512-W517 HydrophobicContact CD1-CZ3 4.29Å; L512-W517 HydrophobicContact CD2-CB 3.8Å; L512-W517 HydrophobicContact CD2-CD2 4.13Å; L512-W517 HydrophobicContact CD2-CG 3.68Å; W517-W651 HydrophobicContact CH2-CZ2 4.43Å; W517-W651 HydrophobicContact CZ2-CD2 4.32Å; W517-W651 AromaticContact CZ2-CE2 3.58Å; W517-W651 HydrophobicContact CZ2-CH2 4.06Å; W517-W651 AromaticContact CZ2-CZ2 3.46Å; W517-W651 HydrophobicContact CZ2-CZ2 3.46Å; W517-W651 VanDerWaalsContact CZ2-CZ2 3.46Å; W517-W651 AromaticContact CZ2-NE1 3.8Å; W517-W651 AromaticContact NE1-CD2 3.96Å; W517-W651 AromaticContact NE1-CE3 3.96Å; W517-Y864 AromaticContact CE3-CD1 4Å; W517-Y864 HydrophobicContact CE3-CD1 4Å; W517-Y864 HydrophobicContact CE3-CE1 4.11Å; W517-Y864 AromaticContact CH2-CD1 3.61Å; W517-Y864 HydrophobicContact CH2-CD1 3.61Å; W517-Y864 HydrophobicContact CH2-CE1 4.39Å; W517-Y864 HydrophobicContact CH2-CG 4.28Å; W517-Y864 AromaticContact CZ3-CD1 3.25Å; W517-Y864 HydrophobicContact CZ3-CD1 3.25Å; W517-Y864 AromaticContact CZ3-CE1 3.59Å; W517-Y864 HydrophobicContact CZ3-CE1 3.59Å; W517-Y864 HydrophobicContact CZ3-CG 4.27Å; W517-S870 PolarHBondContact N-O 2.78Å; W517-S870 WeakPolarHBondContact O-CB 3.32Å; W517-R871 VanDerWaalsContact CZ3-CA 3.49Å; W517-S872 VanDerWaalsContact CZ3-N 3.28Å
518	T	86.4	Confident	90.6	Very high	120 Å²	120	56.4 Å²	56.4	74%	0.736	31%	0.309	S	S	*	.			trans	-105.8	136.1	171.1	51.5	0	0	0	0	109.7	P520	T518-P520 VanDerWaalsContact O-CD 3.31Å; T518-P520 WeakPolarHBondContact O-CD 3.23Å
519	S	82.7	Confident	91	Very high	31 Å²	31	49.9 Å²	49.9	22%	0.217	30%	0.295	C	S	.	.			trans	-90.2	111.1	175.9	-159.1	0	0	0	0	109.3	F504 G521	F504-S519 WeakPolarHBondContact CD1-OG 3.49Å; F504-S519 VanDerWaalsContact CE1-OG 3.31Å; F504-S519 WeakPolarHBondContact CE1-OG 3.36Å; S519-G521 VanDerWaalsContact C-N 3.26Å; S519-G521 PolarHBondContact O-N 2.9Å; S519-G521 PolarHBondContact OG-O 3.2Å; S519-G521 VanDerWaalsContact OG-O 3.13Å
520	P	84.6	Confident	91.2	Very high	71 Å²	71	50.8 Å²	50.8	46%	0.461	30%	0.3	S	S	.	.	S	Bend	trans	-68.2	-26.1	178	26.4	-34.3	0	0	0	113.1	F504 T518	F504-P520 HydrophobicContact CB-CG 3.71Å; F504-P520 HydrophobicContact CD1-CG 4.24Å; F504-P520 HydrophobicContact CD2-CG 4.22Å; F504-P520 HydrophobicContact CG-CG 3.81Å; T518-P520 VanDerWaalsContact O-CD 3.31Å; T518-P520 WeakPolarHBondContact O-CD 3.23Å
521	G	90.7	Very high	91.3	Very high	11 Å²	11	53.9 Å²	53.9	11%	0.113	31%	0.314	C	S	.	.	S	Bend	trans	-174.3	172.5	175.5	0	0	0	0	0	108.6	F504 S519	F504-G521 WeakPolarHBondContact CD1-O 3.38Å; S519-G521 VanDerWaalsContact C-N 3.26Å; S519-G521 PolarHBondContact O-N 2.9Å; S519-G521 PolarHBondContact OG-O 3.2Å; S519-G521 VanDerWaalsContact OG-O 3.13Å
522	F	95.2	Very high	91.6	Very high	7 Å²	7	50.5 Å²	50.5	3%	0.031	29%	0.288	C	S	.	.			trans	-81.8	144	174	-62.1	-25.7	0	0	0	111.3	G505 P525 V563 I565 L639 L640 N643 N650	G505-F522 WeakPolarHBondContact CA-O 3.05Å; G505-F522 PolarHBondContact N-O 2.85Å; F522-P525 HydrophobicContact CB-CG 4.23Å; F522-V563 WeakPolarHBondContact CB-O 3.33Å; F522-V563 HydrophobicContact CD1-CB 4.13Å; F522-V563 HydrophobicContact CD1-CG1 4.47Å; F522-V563 HydrophobicContact CD2-CB 3.73Å; F522-V563 HydrophobicContact CD2-CG2 3.67Å; F522-V563 HydrophobicContact CE1-CB 4.11Å; F522-V563 HydrophobicContact CE1-CG1 4.15Å; F522-V563 HydrophobicContact CE1-CG2 4.44Å; F522-V563 HydrophobicContact CE2-CB 3.75Å; F522-V563 HydrophobicContact CE2-CG1 4.47Å; F522-V563 HydrophobicContact CE2-CG2 3.33Å; F522-V563 HydrophobicContact CG-CB 3.93Å; F522-V563 HydrophobicContact CG-CG2 4.38Å; F522-V563 HydrophobicContact CZ-CB 3.94Å; F522-V563 HydrophobicContact CZ-CG1 4.17Å; F522-V563 HydrophobicContact CZ-CG2 3.77Å; F522-V563 PolarHBondContact N-O 2.8Å; F522-I565 HydrophobicContact CD2-CD1 3.84Å; F522-I565 HydrophobicContact CD2-CG1 4.15Å; F522-I565 HydrophobicContact CE2-CD1 3.67Å; F522-I565 HydrophobicContact CE2-CG1 4.39Å; F522-L639 HydrophobicContact CE2-CB 4.11Å; F522-L639 HydrophobicContact CZ-CB 3.92Å; F522-L640 HydrophobicContact CE1-CD2 3.65Å; F522-L640 HydrophobicContact CZ-CD2 4.15Å; F522-N643 HydrophobicContact CD2-CB 3.82Å; F522-N643 VanDerWaalsContact CD2-CG 3.45Å; F522-N643 WeakPolarHBondContact CD2-ND2 3.21Å; F522-N643 HydrophobicContact CE2-CB 3.64Å; F522-N643 HydrophobicContact CZ-CB 4.39Å; F522-N650 CarbonylContact C-O 3.53Å; F522-N650 WeakPolarHBondContact CA-O 3.35Å; F522-N650 HydrophobicContact CD1-CB 3.96Å; F522-N650 HydrophobicContact CE1-CB 4.28Å
523	Y	94.6	Very high	91.7	Very high	59 Å²	59	53.4 Å²	53.4	23%	0.231	30%	0.303	C	S	.	.	S	Bend	trans	-63.4	-50.4	176.3	174	-89.9	0	0	0	111.3	A503 V649 N650 Q652	A503-Y523 HydrophobicContact CB-CD2 3.88Å; A503-Y523 HydrophobicContact CB-CE2 3.97Å; Y523-V649 HydrophobicContact CD1-CB 4.3Å; Y523-V649 HydrophobicContact CD1-CG1 4.2Å; Y523-V649 PolarHBondContact N-O 2.84Å; Y523-N650 PolarHBondContact N-O 3.08Å; Y523-Q652 HydrophobicContact CD1-CG 3.78Å; Y523-Q652 HydrophobicContact CD2-CB 4.45Å; Y523-Q652 HydrophobicContact CD2-CG 4.36Å; Y523-Q652 HydrophobicContact CE1-CG 3.79Å; Y523-Q652 VanDerWaalsContact CE1-NE2 3.27Å; Y523-Q652 HydrophobicContact CE2-CG 4.35Å; Y523-Q652 HydrophobicContact CG-CG 4.09Å; Y523-Q652 PolarHBondContact OH-OE1 3.45Å
524	D	94.3	Very high	92.1	Very high	43 Å²	43	45.5 Å²	45.5	23%	0.23	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-128.6	96.9	174	-176.5	30.5	0	0	0	109.4	H528 N643 G648 V649	D524-H528 IonicContact OD1-CE1 3.47Å; D524-H528 PolarHBondContact OD1-CE1 3.06Å; D524-H528 IonicContact OD1-ND1 2.82Å; D524-H528 PolarHBondContact OD1-ND1 2.67Å; D524-H528 IonicContact OD2-CE1 2.85Å; D524-H528 PolarHBondContact OD2-CE1 3.36Å; D524-H528 VanDerWaalsContact OD2-CE1 3.26Å; D524-H528 IonicContact OD2-ND1 2.63Å; D524-N643 PolarHBondContact O-ND2 3.33Å; D524-G648 CarbonylContact O-C 3.53Å; D524-G648 WeakPolarHBondContact O-CA 3.42Å; D524-V649 HydrophobicContact CB-CB 4.01Å; D524-V649 PolarHBondContact N-O 3.17Å; D524-V649 PolarHBondContact O-N 2.75Å
525	P	95.4	Very high	92.6	Very high	23 Å²	23	43.4 Å²	43.4	15%	0.149	25%	0.252	C	S	.	.			trans	-71.1	137.4	177.7	-16.7	30.1	0	0	0	112.3	F522 H528 G564 I565	F522-P525 HydrophobicContact CB-CG 4.23Å; P525-H528 PolarHBondContact O-N 3.33Å; P525-G564 VanDerWaalsContact CB-C 3.47Å; P525-G564 WeakPolarHBondContact CB-O 3.29Å; P525-I565 HydrophobicContact CB-CG1 3.96Å
526	A	94.2	Very high	93.1	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.008	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	139.5	174.2	0	0	0	0	0	112.2	H528 L532 I565 N643 L646	A526-H528 PolarHBondContact O-N 3.06Å; A526-L532 HydrophobicContact CB-CD1 4.14Å; A526-I565 HydrophobicContact CB-CD1 4.39Å; A526-N643 WeakPolarHBondContact CB-OD1 3.31Å; A526-N643 PolarHBondContact N-OD1 3.03Å; A526-L646 HydrophobicContact CB-CB 3.47Å; A526-L646 VanDerWaalsContact CB-CB 3.47Å; A526-L646 HydrophobicContact CB-CD1 3.9Å; A526-L646 HydrophobicContact CB-CG 4.35Å
527	G	92.6	Very high	93.4	Very high	21 Å²	21	41.6 Å²	41.6	22%	0.216	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	-9.3	-175.3	0	0	0	0	0	114.2	G529 V530	G527-G529 PolarHBondContact O-N 3.37Å; G527-G529 VanDerWaalsContact O-N 3.11Å; G527-V530 WeakPolarHBondContact O-CB 3.18Å; G527-V530 WeakPolarHBondContact O-CG2 3.5Å; G527-V530 PolarHBondContact O-N 2.82Å
528	H	91.1	Very high	93.7	Very high	120 Å²	120	40.4 Å²	40.4	56%	0.556	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	37.7	176.8	-49.3	-73.1	0	0	0	114	D524 P525 A526	D524-H528 IonicContact OD1-CE1 3.47Å; D524-H528 PolarHBondContact OD1-CE1 3.06Å; D524-H528 IonicContact OD1-ND1 2.82Å; D524-H528 PolarHBondContact OD1-ND1 2.67Å; D524-H528 IonicContact OD2-CE1 2.85Å; D524-H528 PolarHBondContact OD2-CE1 3.36Å; D524-H528 VanDerWaalsContact OD2-CE1 3.26Å; D524-H528 IonicContact OD2-ND1 2.63Å; P525-H528 PolarHBondContact O-N 3.33Å; A526-H528 PolarHBondContact O-N 3.06Å
529	G	89.1	Confident	94.2	Very high	33 Å²	33	34.7 Å²	34.7	34%	0.34	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.7	-4.4	-178.4	0	0	0	0	0	115.1	G527 R566	G527-G529 PolarHBondContact O-N 3.37Å; G527-G529 VanDerWaalsContact O-N 3.11Å; G529-R566 WeakPolarHBondContact O-CD 2.94Å; G529-R566 PolarHBondContact O-NH1 3.33Å; G529-R566 VanDerWaalsContact O-NH1 3.13Å
530	V	94.4	Very high	95	Very high	101 Å²	101	35.1 Å²	35.1	61%	0.612	20%	0.201	S	C	*	.	S	Bend	trans	-78.9	140.9	168.5	-175.5	0	0	0	0	109.7	G527 L532	G527-V530 WeakPolarHBondContact O-CB 3.18Å; G527-V530 WeakPolarHBondContact O-CG2 3.5Å; G527-V530 PolarHBondContact O-N 2.82Å; V530-L532 PolarHBondContact O-N 3.41Å
531	E	95.8	Very high	95.6	Very high	113 Å²	113	35 Å²	35	53%	0.528	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-66.4	127.8	174.9	-171.6	-179.3	69.2	0	0	110.8	R566 S568	E531-R566 WeakPolarHBondContact CA-O 3.43Å; E531-S568 WeakPolarHBondContact OE2-CA 3.42Å
532	L	97.2	Very high	95.8	Very high	22 Å²	22	36.4 Å²	36.4	12%	0.115	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-95.6	118.5	177.9	-62.1	177.5	0	0	0	110.4	A526 V530 I565 R566 L567 S568 A594 L646	A526-L532 HydrophobicContact CB-CD1 4.14Å; V530-L532 PolarHBondContact O-N 3.41Å; L532-I565 HydrophobicContact CD1-CG2 4.06Å; L532-R566 PolarHBondContact N-O 2.85Å; L532-L567 HydrophobicContact CB-CD2 4.13Å; L532-L567 HydrophobicContact CD1-CD2 4.44Å; L532-S568 PolarHBondContact O-N 3.45Å; L532-A594 HydrophobicContact CB-CB 4.25Å; L532-A594 HydrophobicContact CD2-CB 4.04Å; L532-L646 HydrophobicContact CD1-CD1 3.91Å
533	L	97.7	Very high	95.8	Very high	70 Å²	70	47.6 Å²	47.6	37%	0.366	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-68.1	137.5	167.8	-62.1	-179.4	0	0	0	109.9	C593 A594	L533-C593 CarbonylContact O-C 3.59Å; L533-A594 WeakPolarHBondContact O-CB 3.36Å; L533-A594 PolarHBondContact O-N 3.41Å
534	W	98	Very high	95.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	163.4	-177.3	67.4	-64.8	0	0	0	111.7	I536 V552 L556 P557 S568 P571 H572 F595 L597	W534-I536 HydrophobicContact CE3-CG1 4.16Å; W534-I536 HydrophobicContact CH2-CD1 3.9Å; W534-I536 HydrophobicContact CH2-CG1 4.09Å; W534-I536 HydrophobicContact CZ3-CD1 3.86Å; W534-I536 HydrophobicContact CZ3-CG1 3.54Å; W534-V552 HydrophobicContact CH2-CG1 3.76Å; W534-V552 HydrophobicContact CZ3-CG1 3.87Å; W534-L556 HydrophobicContact CE3-CD2 4.39Å; W534-L556 HydrophobicContact CH2-CD2 3.82Å; W534-L556 HydrophobicContact CZ3-CD2 3.67Å; W534-P557 HydrophobicContact CZ2-CG 3.98Å; W534-S568 VanDerWaalsContact CD1-OG 3.32Å; W534-S568 PolarHBondContact NE1-O 2.71Å; W534-P571 HydrophobicContact CD2-CB 3.78Å; W534-P571 HydrophobicContact CE3-CB 4.14Å; W534-P571 HydrophobicContact CG-CB 4.28Å; W534-P571 HydrophobicContact CH2-CB 4.14Å; W534-P571 HydrophobicContact CH2-CG 3.93Å; W534-P571 HydrophobicContact CZ2-CB 3.76Å; W534-P571 HydrophobicContact CZ2-CG 3.6Å; W534-P571 HydrophobicContact CZ3-CB 4.31Å; W534-P571 VanDerWaalsContact O-CA 3.26Å; W534-P571 WeakPolarHBondContact O-CA 3.44Å; W534-P571 WeakPolarHBondContact O-CB 3.16Å; W534-H572 PolarHBondContact O-N 3.35Å; W534-H572 VanDerWaalsContact O-N 3.1Å; W534-F595 WeakPolarHBondContact CA-O 3.44Å; W534-F595 HydrophobicContact CB-CD1 3.89Å; W534-F595 HydrophobicContact CB-CE1 3.48Å; W534-F595 VanDerWaalsContact CB-CE1 3.48Å; W534-F595 HydrophobicContact CB-CE2 4.26Å; W534-F595 HydrophobicContact CB-CG 4.43Å; W534-F595 HydrophobicContact CB-CZ 3.68Å; W534-F595 HydrophobicContact CD2-CZ 4.04Å; W534-F595 HydrophobicContact CE3-CE2 4.1Å; W534-F595 AromaticContact CE3-CZ 3.94Å; W534-F595 HydrophobicContact CE3-CZ 3.94Å; W534-F595 HydrophobicContact CG-CE1 4.07Å; W534-F595 AromaticContact CG-CZ 3.97Å; W534-F595 HydrophobicContact CG-CZ 3.97Å; W534-L597 HydrophobicContact CE3-CB 4.42Å; W534-L597 HydrophobicContact CZ3-CB 4.33Å; W534-L597 HydrophobicContact CZ3-CD2 4.3Å
535	A	98.4	Very high	96	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	153	-178.8	0	0	0	0	0	112.5	H572 F588 F595 L596 L597	A535-H572 CarbonylContact C-O 3.43Å; A535-H572 VanDerWaalsContact CA-O 3.22Å; A535-H572 WeakPolarHBondContact CA-O 3.33Å; A535-H572 HydrophobicContact CB-CB 3.99Å; A535-F588 HydrophobicContact CB-CB 4.43Å; A535-F588 HydrophobicContact CB-CD1 3.41Å; A535-F588 VanDerWaalsContact CB-CD1 3.41Å; A535-F588 HydrophobicContact CB-CD2 4.22Å; A535-F588 HydrophobicContact CB-CE1 3.57Å; A535-F588 HydrophobicContact CB-CE2 4.32Å; A535-F588 HydrophobicContact CB-CG 3.78Å; A535-F588 HydrophobicContact CB-CZ 4.01Å; A535-F595 PolarHBondContact N-O 3.17Å; A535-L596 HydrophobicContact CB-CD1 4.48Å; A535-L596 HydrophobicContact CB-CG 4.23Å; A535-L597 PolarHBondContact O-N 2.83Å
536	I	98.4	Very high	96	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	125.7	171	-52.5	172.4	0	0	0	108.9	W534 V549 V552 I553 P571 H572 L573 S574 L597 I599	W534-I536 HydrophobicContact CE3-CG1 4.16Å; W534-I536 HydrophobicContact CH2-CD1 3.9Å; W534-I536 HydrophobicContact CH2-CG1 4.09Å; W534-I536 HydrophobicContact CZ3-CD1 3.86Å; W534-I536 HydrophobicContact CZ3-CG1 3.54Å; I536-V549 HydrophobicContact CD1-CG1 4.32Å; I536-V549 HydrophobicContact CG2-CG2 4.14Å; I536-V552 HydrophobicContact CD1-CB 4.05Å; I536-V552 HydrophobicContact CD1-CG1 3.43Å; I536-V552 VanDerWaalsContact CD1-CG1 3.43Å; I536-V552 HydrophobicContact CG1-CG1 4.13Å; I536-I553 HydrophobicContact CD1-CD1 4.48Å; I536-I553 HydrophobicContact CD1-CG1 3.76Å; I536-P571 HydrophobicContact CD1-CB 4.45Å; I536-P571 HydrophobicContact CD1-CG 3.96Å; I536-P571 HydrophobicContact CG1-CB 4.26Å; I536-P571 HydrophobicContact CG1-CG 4.32Å; I536-H572 PolarHBondContact N-O 3.04Å; I536-L573 HydrophobicContact CB-CD2 3.74Å; I536-L573 HydrophobicContact CD1-CD2 3.69Å; I536-L573 HydrophobicContact CG1-CD2 3.95Å; I536-S574 PolarHBondContact O-N 2.81Å; I536-L597 WeakPolarHBondContact CA-O 3.32Å; I536-I599 HydrophobicContact CG2-CD1 3.84Å; I536-I599 HydrophobicContact CG2-CG1 4.16Å
537	L	98.5	Very high	96.2	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	116.6	177.5	-175.2	60	0	0	0	111.1	V539 S574 L581 K584 F585 F588 L597 L598 I599	L537-V539 HydrophobicContact CD2-CG2 4.14Å; L537-V539 HydrophobicContact CG-CG2 3.82Å; L537-S574 WeakPolarHBondContact CA-O 3.23Å; L537-L581 HydrophobicContact CD2-CD2 4.07Å; L537-K584 HydrophobicContact CD1-CB 4.48Å; L537-K584 HydrophobicContact CD1-CG 4.46Å; L537-K584 HydrophobicContact CD2-CB 4.26Å; L537-F585 HydrophobicContact CD2-CD2 4.3Å; L537-F585 HydrophobicContact CD2-CE2 3.91Å; L537-F588 HydrophobicContact CB-CE2 4.26Å; L537-F588 HydrophobicContact CD1-CE2 4.18Å; L537-F588 HydrophobicContact CD2-CE2 4.33Å; L537-F588 HydrophobicContact CG-CE2 4.49Å; L537-L597 PolarHBondContact N-O 2.84Å; L537-L598 HydrophobicContact CB-CD2 4.37Å; L537-L598 HydrophobicContact CB-CG 4.31Å; L537-L598 HydrophobicContact CD2-CD2 3.97Å; L537-L598 HydrophobicContact CG-CD2 4.46Å; L537-L598 CarbonylContact O-C 3.58Å; L537-L598 VanDerWaalsContact O-CA 3.27Å; L537-L598 WeakPolarHBondContact O-CA 3.32Å; L537-I599 PolarHBondContact O-N 3.47Å
538	C	98.6	Very high	96.4	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.007	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	128.6	173.8	-60.4	0	0	0	0	110.9	S574 Q575 C576 Y601	C538-S574 PolarHBondContact N-O 2.76Å; C538-S574 VanDerWaalsContact N-O 3.09Å; C538-Q575 HydrophobicContact CB-CB 4.09Å; C538-Q575 HydrophobicContact CB-CG 3.78Å; C538-Q575 WeakPolarHBondContact O-CA 3.43Å; C538-C576 PolarHBondContact O-N 3.2Å; C538-Y601 HydrophobicContact CB-CE2 3.91Å
539	V	97.8	Very high	96.7	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	123.8	-177	-167.9	0	0	0	0	111.3	L537 L581 L598 I599 L600 Y601 A605	L537-V539 HydrophobicContact CD2-CG2 4.14Å; L537-V539 HydrophobicContact CG-CG2 3.82Å; V539-L581 HydrophobicContact CG1-CD2 4.38Å; V539-L581 HydrophobicContact CG2-CD2 3.96Å; V539-L598 HydrophobicContact CG2-CD2 4.39Å; V539-I599 PolarHBondContact N-O 3.07Å; V539-L600 HydrophobicContact CB-CD2 4.3Å; V539-L600 WeakPolarHBondContact O-CA 3.18Å; V539-Y601 PolarHBondContact O-N 2.84Å; V539-A605 HydrophobicContact CB-CB 4.31Å; V539-A605 HydrophobicContact CG1-CB 3.5Å
540	P	97.5	Very high	97.1	Very high	39 Å²	39	54.7 Å²	54.7	25%	0.253	28%	0.275	S	S	.	.	S	Bend	cis	-63.8	179.8	-21.1	30.7	-37.7	0	0	0	111.7	D542 Y601 D602	P540-D542 PolarHBondContact O-N 2.9Å; P540-Y601 WeakPolarHBondContact O-CD2 3.17Å; P540-D602 VanDerWaalsContact CD-OD2 3.23Å; P540-D602 WeakPolarHBondContact CD-OD2 3.48Å
541	P	97.3	Very high	97.2	Very high	70 Å²	70	52 Å²	52	46%	0.455	26%	0.255	S	S	.	.			trans	-58.1	134.8	168.1	-21.4	35.4	0	0	0	110.5	Q575 C576	P541-Q575 HydrophobicContact CB-CB 4.17Å; P541-Q575 HydrophobicContact CG-CB 4.14Å; P541-C576 WeakPolarHBondContact CD-O 3.48Å
542	D	96.6	Very high	97.3	Very high	40 Å²	40	46.7 Å²	46.7	21%	0.214	23%	0.23	C	C	.	.			trans	-145.3	142.2	-176.9	-174.8	-64.9	0	0	0	109.2	P540 R544 S545 Y601	P540-D542 PolarHBondContact O-N 2.9Å; D542-R544 PolarHBondContact O-N 2.99Å; D542-R544 VanDerWaalsContact OD1-CB 3.24Å; D542-R544 WeakPolarHBondContact OD1-CB 3.37Å; D542-R544 WeakPolarHBondContact OD1-CG 3.44Å; D542-R544 IonicContact OD1-CZ 3.57Å; D542-R544 PolarHBondContact OD1-N 3.24Å; D542-R544 IonicContact OD1-NE 2.77Å; D542-R544 PolarHBondContact OD1-NE 3.37Å; D542-R544 IonicContact OD1-NH2 3.75Å; D542-R544 IonicContact OD2-CZ 3.28Å; D542-R544 IonicContact OD2-NE 2.83Å; D542-R544 PolarHBondContact OD2-NE 3.28Å; D542-R544 IonicContact OD2-NH2 3.46Å; D542-R544 PolarHBondContact OD2-NH2 3.49Å; D542-S545 WeakPolarHBondContact O-CB 3.47Å; D542-S545 PolarHBondContact O-N 2.94Å; D542-S545 PolarHBondContact O-OG 2.82Å; D542-Y601 HydrophobicContact CB-CD1 3.44Å; D542-Y601 VanDerWaalsContact CB-CD1 3.44Å; D542-Y601 HydrophobicContact CB-CD2 3.71Å; D542-Y601 HydrophobicContact CB-CE1 3.67Å; D542-Y601 HydrophobicContact CB-CE2 3.97Å; D542-Y601 HydrophobicContact CB-CG 3.45Å; D542-Y601 VanDerWaalsContact CB-CG 3.45Å; D542-Y601 VanDerWaalsContact OD2-CD1 3.23Å; D542-Y601 WeakPolarHBondContact OD2-CD1 3.26Å
543	R	94.9	Very high	97.3	Very high	242 Å²	242	47.4 Å²	47.4	91%	0.913	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-29.8	-177.8	-64.1	-177.9	-179.8	-177.2	-0.7	113.1	S545	R543-S545 PolarHBondContact O-N 3Å
544	R	95.8	Very high	97.2	Very high	121 Å²	121	47.9 Å²	47.9	46%	0.457	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-13.9	177.6	-60.6	171	-70.3	178.5	-8.4	113	D542 Q546 G547 H548 Y601	D542-R544 PolarHBondContact O-N 2.99Å; D542-R544 VanDerWaalsContact OD1-CB 3.24Å; D542-R544 WeakPolarHBondContact OD1-CB 3.37Å; D542-R544 WeakPolarHBondContact OD1-CG 3.44Å; D542-R544 IonicContact OD1-CZ 3.57Å; D542-R544 PolarHBondContact OD1-N 3.24Å; D542-R544 IonicContact OD1-NE 2.77Å; D542-R544 PolarHBondContact OD1-NE 3.37Å; D542-R544 IonicContact OD1-NH2 3.75Å; D542-R544 IonicContact OD2-CZ 3.28Å; D542-R544 IonicContact OD2-NE 2.83Å; D542-R544 PolarHBondContact OD2-NE 3.28Å; D542-R544 IonicContact OD2-NH2 3.46Å; D542-R544 PolarHBondContact OD2-NH2 3.49Å; R544-Q546 VanDerWaalsContact C-N 3.28Å; R544-Q546 PolarHBondContact O-N 2.97Å; R544-G547 PolarHBondContact O-N 3.35Å; R544-H548 PolarHBondContact O-N 2.66Å; R544-Y601 HydrophobicContact CB-CE1 4.11Å
545	S	96.7	Very high	97.1	Very high	7 Å²	7	51.8 Å²	51.8	5%	0.049	25%	0.252	C	S	.	.	H	α-helix	trans	-55.8	-37.8	-179.1	63.3	0	0	0	0	114.4	D542 R543 G547 H548 V549 Q575 Y601	D542-S545 WeakPolarHBondContact O-CB 3.47Å; D542-S545 PolarHBondContact O-N 2.94Å; D542-S545 PolarHBondContact O-OG 2.82Å; R543-S545 PolarHBondContact O-N 3Å; S545-G547 PolarHBondContact O-N 2.97Å; S545-H548 PolarHBondContact O-N 3.13Å; S545-V549 VanDerWaalsContact O-CB 3.24Å; S545-V549 WeakPolarHBondContact O-CB 3.35Å; S545-V549 WeakPolarHBondContact O-CG2 3.39Å; S545-V549 PolarHBondContact O-N 2.81Å; S545-Q575 PolarHBondContact OG-NE2 2.93Å; S545-Q575 PolarHBondContact OG-OE1 3.47Å; S545-Y601 WeakPolarHBondContact CA-OH 3.38Å; S545-Y601 WeakPolarHBondContact CB-OH 3.42Å; S545-Y601 PolarHBondContact N-OH 3.5Å
546	Q	96.1	Very high	97.1	Very high	148 Å²	148	51.8 Å²	51.8	69%	0.692	25%	0.252	S	S	*	.	H	α-helix	trans	-57.2	-50.7	178.6	-171.6	177.3	6.1	0	0	111	R544 H548 Q550	R544-Q546 VanDerWaalsContact C-N 3.28Å; R544-Q546 PolarHBondContact O-N 2.97Å; Q546-H548 PolarHBondContact O-N 2.97Å; Q546-Q550 WeakPolarHBondContact O-CB 3.38Å; Q546-Q550 WeakPolarHBondContact O-CG 3.48Å; Q546-Q550 PolarHBondContact O-N 3.13Å
547	G	96.9	Very high	97	Very high	50 Å²	50	53 Å²	53	52%	0.515	26%	0.26	S	S	.	.	H	α-helix	trans	-63.3	-42.6	178.1	0	0	0	0	0	113.1	R544 S545 K551	R544-G547 PolarHBondContact O-N 3.35Å; S545-G547 PolarHBondContact O-N 2.97Å; G547-K551 PolarHBondContact O-N 2.84Å
548	H	98.1	Very high	96.8	Very high	15 Å²	15	58 Å²	58	7%	0.069	28%	0.279	C	S	.	.	H	α-helix	trans	-67.4	-43.3	179	-64.9	164.4	0	0	0	113	R544 S545 Q546 K551 V552 I599 Y601 L629 D630	R544-H548 PolarHBondContact O-N 2.66Å; S545-H548 PolarHBondContact O-N 3.13Å; Q546-H548 PolarHBondContact O-N 2.97Å; H548-K551 PolarHBondContact O-N 3.16Å; H548-V552 VanDerWaalsContact O-CG2 3.29Å; H548-V552 WeakPolarHBondContact O-CG2 3.46Å; H548-V552 PolarHBondContact O-N 3.3Å; H548-I599 HydrophobicContact CB-CD1 4.12Å; H548-Y601 AromaticContact CE1-CE1 3.89Å; H548-Y601 AromaticContact ND1-CE1 3.57Å; H548-Y601 AromaticContact ND1-CZ 3.66Å; H548-Y601 PolarHBondContact ND1-OH 3.07Å; H548-L629 HydrophobicContact CB-CD1 3.83Å; H548-D630 IonicContact NE2-OD1 3.7Å; H548-D630 PolarHBondContact NE2-OD1 3.48Å
549	V	97.9	Very high	96.7	Very high	13 Å²	13	58.5 Å²	58.5	8%	0.079	28%	0.283	C	S	.	.	H	α-helix	trans	-63	-45.3	177.4	169.3	0	0	0	0	109.8	I536 S545 K551 V552 I553 L573 I599	I536-V549 HydrophobicContact CD1-CG1 4.32Å; I536-V549 HydrophobicContact CG2-CG2 4.14Å; S545-V549 VanDerWaalsContact O-CB 3.24Å; S545-V549 WeakPolarHBondContact O-CB 3.35Å; S545-V549 WeakPolarHBondContact O-CG2 3.39Å; S545-V549 PolarHBondContact O-N 2.81Å; V549-K551 VanDerWaalsContact C-N 3.34Å; V549-K551 PolarHBondContact O-N 2.86Å; V549-V552 PolarHBondContact O-N 2.9Å; V549-I553 HydrophobicContact CG1-CD1 3.63Å; V549-I553 HydrophobicContact CG1-CG1 4.27Å; V549-I553 WeakPolarHBondContact O-CG1 3.41Å; V549-I553 PolarHBondContact O-N 3.46Å; V549-L573 HydrophobicContact CG1-CD1 4.11Å; V549-L573 HydrophobicContact CG1-CD2 3.88Å; V549-I599 HydrophobicContact CG2-CD1 4.13Å
550	Q	96.8	Very high	96.6	Very high	94 Å²	94	58.4 Å²	58.4	44%	0.439	28%	0.283	S	S	.	.	H	α-helix	trans	-59	-45.4	175.9	-71.5	-58.5	-27.8	0	0	111.7	Q546 V552 I553 H554	Q546-Q550 WeakPolarHBondContact O-CB 3.38Å; Q546-Q550 WeakPolarHBondContact O-CG 3.48Å; Q546-Q550 PolarHBondContact O-N 3.13Å; Q550-V552 VanDerWaalsContact C-N 3.34Å; Q550-V552 PolarHBondContact O-N 3.22Å; Q550-I553 PolarHBondContact O-N 2.77Å; Q550-H554 PolarHBondContact O-N 2.9Å; Q550-H554 VanDerWaalsContact O-N 3.12Å; Q550-H554 PolarHBondContact O-ND1 3.37Å; Q550-H554 PolarHBondContact OE1-CE1 2.79Å
551	K	96.7	Very high	96.5	Very high	46 Å²	46	61.8 Å²	61.8	20%	0.2	30%	0.299	C	S	.	.	H	α-helix	trans	-57.2	-46.9	174.7	-177.8	172.9	-179	172.7	0	112.1	G547 H548 V549 H554 E555 L629 K631 F635	G547-K551 PolarHBondContact O-N 2.84Å; H548-K551 PolarHBondContact O-N 3.16Å; V549-K551 VanDerWaalsContact C-N 3.34Å; V549-K551 PolarHBondContact O-N 2.86Å; K551-H554 PolarHBondContact O-N 3.43Å; K551-E555 WeakPolarHBondContact CE-OE1 3.48Å; K551-E555 WeakPolarHBondContact CE-OE2 3.21Å; K551-E555 HydrophobicContact CG-CG 4.42Å; K551-E555 WeakPolarHBondContact CG-OE1 3.29Å; K551-E555 WeakPolarHBondContact O-CB 3.45Å; K551-E555 PolarHBondContact O-N 2.85Å; K551-L629 PolarHBondContact NZ-O 3.44Å; K551-K631 PolarHBondContact NZ-O 2.92Å; K551-F635 HydrophobicContact CG-CE2 4.16Å; K551-F635 HydrophobicContact CG-CZ 4.24Å
552	V	97.8	Very high	96.3	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-61.6	-49.7	179.5	169.4	0	0	0	0	111.5	W534 I536 H548 V549 Q550 H554 L556 P557 L597 I599 L629 F635	W534-V552 HydrophobicContact CH2-CG1 3.76Å; W534-V552 HydrophobicContact CZ3-CG1 3.87Å; I536-V552 HydrophobicContact CD1-CB 4.05Å; I536-V552 HydrophobicContact CD1-CG1 3.43Å; I536-V552 VanDerWaalsContact CD1-CG1 3.43Å; I536-V552 HydrophobicContact CG1-CG1 4.13Å; H548-V552 VanDerWaalsContact O-CG2 3.29Å; H548-V552 WeakPolarHBondContact O-CG2 3.46Å; H548-V552 PolarHBondContact O-N 3.3Å; V549-V552 PolarHBondContact O-N 2.9Å; Q550-V552 VanDerWaalsContact C-N 3.34Å; Q550-V552 PolarHBondContact O-N 3.22Å; V552-H554 VanDerWaalsContact C-N 3.26Å; V552-H554 PolarHBondContact O-N 3.4Å; V552-L556 HydrophobicContact CG1-CB 4.33Å; V552-L556 HydrophobicContact CG1-CD2 4.18Å; V552-L556 WeakPolarHBondContact O-CB 3.41Å; V552-L556 PolarHBondContact O-N 3.18Å; V552-P557 WeakPolarHBondContact O-CD 3.4Å; V552-L597 HydrophobicContact CB-CD2 4.31Å; V552-L597 HydrophobicContact CG1-CD2 3.34Å; V552-L597 HydrophobicContact CG2-CD2 3.94Å; V552-I599 HydrophobicContact CG2-CD1 4.24Å; V552-L629 HydrophobicContact CG2-CD1 4.18Å; V552-L629 HydrophobicContact CG2-CD2 4.16Å; V552-F635 HydrophobicContact CB-CZ 4.45Å; V552-F635 HydrophobicContact CG2-CE1 4Å; V552-F635 HydrophobicContact CG2-CZ 4Å
553	I	97.3	Very high	96.1	Very high	37 Å²	37	66.9 Å²	66.9	19%	0.19	31%	0.308	C	S	.	.	H	α-helix	trans	-59.5	-38.6	-178.6	-68.8	170.2	0	0	0	111.3	I536 V549 Q550 P557 P571 L573	I536-I553 HydrophobicContact CD1-CD1 4.48Å; I536-I553 HydrophobicContact CD1-CG1 3.76Å; V549-I553 HydrophobicContact CG1-CD1 3.63Å; V549-I553 HydrophobicContact CG1-CG1 4.27Å; V549-I553 WeakPolarHBondContact O-CG1 3.41Å; V549-I553 PolarHBondContact O-N 3.46Å; Q550-I553 PolarHBondContact O-N 2.77Å; I553-P557 WeakPolarHBondContact O-CD 3.09Å; I553-P557 WeakPolarHBondContact O-CG 3.41Å; I553-P571 HydrophobicContact CD1-CG 4.43Å; I553-P571 HydrophobicContact CG1-CG 3.86Å; I553-L573 HydrophobicContact CD1-CD1 3.82Å; I553-L573 HydrophobicContact CD1-CD2 4.01Å
554	H	94.8	Very high	96.1	Very high	81 Å²	81	57 Å²	57	38%	0.375	28%	0.281	S	S	.	.	H	α-helix	trans	-82.1	-41.4	-176.9	-71.9	86.1	0	0	0	113.4	Q550 K551 V552 R558	Q550-H554 PolarHBondContact O-N 2.9Å; Q550-H554 VanDerWaalsContact O-N 3.12Å; Q550-H554 PolarHBondContact O-ND1 3.37Å; Q550-H554 PolarHBondContact OE1-CE1 2.79Å; K551-H554 PolarHBondContact O-N 3.43Å; V552-H554 VanDerWaalsContact C-N 3.26Å; V552-H554 PolarHBondContact O-N 3.4Å; H554-R558 VanDerWaalsContact O-CD 3.24Å; H554-R558 WeakPolarHBondContact O-CD 3.21Å; H554-R558 WeakPolarHBondContact O-CG 3.35Å; H554-R558 PolarHBondContact O-NE 2.86Å
555	E	96.4	Very high	96.1	Very high	81 Å²	81	51.2 Å²	51.2	38%	0.379	26%	0.259	S	S	.	.	H	α-helix	trans	-95.7	-34.1	-170	-68.2	-177	-150.4	0	0	113.6	K551 A559 F635	K551-E555 WeakPolarHBondContact CE-OE1 3.48Å; K551-E555 WeakPolarHBondContact CE-OE2 3.21Å; K551-E555 HydrophobicContact CG-CG 4.42Å; K551-E555 WeakPolarHBondContact CG-OE1 3.29Å; K551-E555 WeakPolarHBondContact O-CB 3.45Å; K551-E555 PolarHBondContact O-N 2.85Å; E555-A559 WeakPolarHBondContact O-CB 3.35Å; E555-A559 PolarHBondContact O-N 3.01Å; E555-F635 HydrophobicContact CB-CD2 3.47Å; E555-F635 VanDerWaalsContact CB-CD2 3.47Å; E555-F635 HydrophobicContact CB-CE2 3.29Å; E555-F635 HydrophobicContact CB-CZ 4.25Å; E555-F635 HydrophobicContact CG-CE2 4.17Å; E555-F635 VanDerWaalsContact OE2-CE2 3.27Å; E555-F635 WeakPolarHBondContact OE2-CE2 3.34Å
556	L	97.4	Very high	96.1	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-67	-50	-175.7	175.7	62	0	0	0	112.4	W534 V552 R558 A559 A560 L567 L597 F635 L639	W534-L556 HydrophobicContact CE3-CD2 4.39Å; W534-L556 HydrophobicContact CH2-CD2 3.82Å; W534-L556 HydrophobicContact CZ3-CD2 3.67Å; V552-L556 HydrophobicContact CG1-CB 4.33Å; V552-L556 HydrophobicContact CG1-CD2 4.18Å; V552-L556 WeakPolarHBondContact O-CB 3.41Å; V552-L556 PolarHBondContact O-N 3.18Å; L556-R558 VanDerWaalsContact C-N 3.32Å; L556-R558 PolarHBondContact O-N 2.96Å; L556-A559 PolarHBondContact O-N 2.65Å; L556-A559 VanDerWaalsContact O-N 3.17Å; L556-A560 WeakPolarHBondContact O-CB 3.41Å; L556-A560 PolarHBondContact O-N 2.85Å; L556-L567 HydrophobicContact CD2-CD1 4.25Å; L556-L567 HydrophobicContact CG-CD1 3.92Å; L556-L597 HydrophobicContact CD2-CD2 4.2Å; L556-F635 HydrophobicContact CB-CD1 3.73Å; L556-F635 HydrophobicContact CB-CE1 3.92Å; L556-F635 HydrophobicContact CB-CG 4.19Å; L556-F635 HydrophobicContact CD1-CB 4.15Å; L556-F635 HydrophobicContact CD1-CD1 3.79Å; L556-F635 HydrophobicContact CD1-CG 4.29Å; L556-F635 HydrophobicContact CG-CD1 4.24Å; L556-L639 HydrophobicContact CD1-CD1 4.27Å; L556-L639 HydrophobicContact CD1-CD2 3.78Å; L556-L639 HydrophobicContact CD1-CG 3.9Å
557	P	96.8	Very high	96.2	Very high	26 Å²	26	51.7 Å²	51.7	17%	0.169	26%	0.255	C	S	.	.	H	α-helix	trans	-59.3	-40	177.3	-26.1	36.8	0	0	0	113	W534 V552 I553 A559 A560 D561	W534-P557 HydrophobicContact CZ2-CG 3.98Å; V552-P557 WeakPolarHBondContact O-CD 3.4Å; I553-P557 WeakPolarHBondContact O-CD 3.09Å; I553-P557 WeakPolarHBondContact O-CG 3.41Å; P557-A559 VanDerWaalsContact C-N 3.34Å; P557-A559 PolarHBondContact O-N 2.82Å; P557-A560 WeakPolarHBondContact O-CB 3.29Å; P557-A560 PolarHBondContact O-N 2.91Å; P557-D561 WeakPolarHBondContact O-CB 3.48Å; P557-D561 PolarHBondContact O-N 2.8Å
558	R	95.3	Very high	96.1	Very high	105 Å²	105	49.6 Å²	49.6	40%	0.396	23%	0.233	S	C	.	.	H	α-helix	trans	-63.1	-39.8	176.1	-66.3	179.9	-175.4	-172.7	-3	112.3	G45 H554 L556 R562	G45-R558 PolarHBondContact O-NH1 3.47Å; H554-R558 VanDerWaalsContact O-CD 3.24Å; H554-R558 WeakPolarHBondContact O-CD 3.21Å; H554-R558 WeakPolarHBondContact O-CG 3.35Å; H554-R558 PolarHBondContact O-NE 2.86Å; L556-R558 VanDerWaalsContact C-N 3.32Å; L556-R558 PolarHBondContact O-N 2.96Å; R558-R562 WeakPolarHBondContact O-CG 3.37Å
559	A	95.4	Very high	95.8	Very high	12 Å²	12	53.2 Å²	53.2	10%	0.099	26%	0.26	C	S	.	.	H	α-helix	trans	-70.8	-35.5	175.5	0	0	0	0	0	111.8	E555 L556 P557 F635 L639	E555-A559 WeakPolarHBondContact O-CB 3.35Å; E555-A559 PolarHBondContact O-N 3.01Å; L556-A559 PolarHBondContact O-N 2.65Å; L556-A559 VanDerWaalsContact O-N 3.17Å; P557-A559 VanDerWaalsContact C-N 3.34Å; P557-A559 PolarHBondContact O-N 2.82Å; A559-F635 HydrophobicContact CB-CB 3.81Å; A559-L639 VanDerWaalsContact C-CD1 3.4Å; A559-L639 HydrophobicContact CB-CD1 3.66Å; A559-L639 WeakPolarHBondContact O-CD1 3.29Å
560	A	96.4	Very high	95.5	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65.8	-44	178.2	0	0	0	0	0	111.6	L556 P557 R562 V563 G564 I565 L567 L639	L556-A560 WeakPolarHBondContact O-CB 3.41Å; L556-A560 PolarHBondContact O-N 2.85Å; P557-A560 WeakPolarHBondContact O-CB 3.29Å; P557-A560 PolarHBondContact O-N 2.91Å; A560-R562 VanDerWaalsContact C-N 3.33Å; A560-R562 PolarHBondContact O-N 3.24Å; A560-V563 CarbonylContact O-C 3.55Å; A560-V563 WeakPolarHBondContact O-CG2 3.48Å; A560-V563 PolarHBondContact O-N 2.94Å; A560-G564 PolarHBondContact O-N 2.83Å; A560-G564 VanDerWaalsContact O-N 3.11Å; A560-I565 CarbonylContact C-O 3.54Å; A560-I565 HydrophobicContact CB-CB 4.08Å; A560-I565 HydrophobicContact CB-CG2 4.35Å; A560-I565 WeakPolarHBondContact CB-O 3.46Å; A560-I565 PolarHBondContact O-N 3.08Å; A560-L567 HydrophobicContact CB-CD1 3.78Å; A560-L567 HydrophobicContact CB-CG 3.9Å; A560-L639 HydrophobicContact CB-CD1 4.3Å; A560-L639 HydrophobicContact CB-CD2 3.8Å
561	D	94.7	Very high	95.5	Very high	110 Å²	110	57.2 Å²	57.2	59%	0.588	27%	0.271	S	S	*	.	H	α-helix	trans	-59.1	-42.9	178.1	-175.7	64	0	0	0	112	P557 V563 G564 I565	P557-D561 WeakPolarHBondContact O-CB 3.48Å; P557-D561 PolarHBondContact O-N 2.8Å; D561-V563 PolarHBondContact O-N 3.39Å; D561-V563 VanDerWaalsContact O-N 3.08Å; D561-G564 PolarHBondContact O-N 3.5Å; D561-I565 PolarHBondContact N-O 2.87Å
562	R	93.2	Very high	95.5	Very high	197 Å²	197	58.2 Å²	58.2	74%	0.743	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-23.8	175.8	-69.5	175.6	-172.1	176	1.5	114.3	R558 A560	R558-R562 WeakPolarHBondContact O-CG 3.37Å; A560-R562 VanDerWaalsContact C-N 3.33Å; A560-R562 PolarHBondContact O-N 3.24Å
563	V	93.7	Very high	95.5	Very high	20 Å²	20	62.6 Å²	62.6	12%	0.121	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	8.6	178.4	-60.6	0	0	0	0	112.6	F522 A560 D561 I565 L639	F522-V563 WeakPolarHBondContact CB-O 3.33Å; F522-V563 HydrophobicContact CD1-CB 4.13Å; F522-V563 HydrophobicContact CD1-CG1 4.47Å; F522-V563 HydrophobicContact CD2-CB 3.73Å; F522-V563 HydrophobicContact CD2-CG2 3.67Å; F522-V563 HydrophobicContact CE1-CB 4.11Å; F522-V563 HydrophobicContact CE1-CG1 4.15Å; F522-V563 HydrophobicContact CE1-CG2 4.44Å; F522-V563 HydrophobicContact CE2-CB 3.75Å; F522-V563 HydrophobicContact CE2-CG1 4.47Å; F522-V563 HydrophobicContact CE2-CG2 3.33Å; F522-V563 HydrophobicContact CG-CB 3.93Å; F522-V563 HydrophobicContact CG-CG2 4.38Å; F522-V563 HydrophobicContact CZ-CB 3.94Å; F522-V563 HydrophobicContact CZ-CG1 4.17Å; F522-V563 HydrophobicContact CZ-CG2 3.77Å; F522-V563 PolarHBondContact N-O 2.8Å; A560-V563 CarbonylContact O-C 3.55Å; A560-V563 WeakPolarHBondContact O-CG2 3.48Å; A560-V563 PolarHBondContact O-N 2.94Å; D561-V563 PolarHBondContact O-N 3.39Å; D561-V563 VanDerWaalsContact O-N 3.08Å; V563-I565 HydrophobicContact CG2-CG1 4.46Å; V563-L639 HydrophobicContact CG2-CD1 4.12Å
564	G	93.9	Very high	95.5	Very high	33 Å²	33	62 Å²	62	34%	0.34	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	6.7	173.8	0	0	0	0	0	115.7	P525 A560 D561	P525-G564 VanDerWaalsContact CB-C 3.47Å; P525-G564 WeakPolarHBondContact CB-O 3.29Å; A560-G564 PolarHBondContact O-N 2.83Å; A560-G564 VanDerWaalsContact O-N 3.11Å; D561-G564 PolarHBondContact O-N 3.5Å
565	I	96.1	Very high	95.6	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.005	30%	0.297	C	S	.	.			trans	-92.6	121.4	176.9	-60.8	177.3	0	0	0	109.3	F522 P525 A526 L532 A560 D561 V563 L567 L639 N643	F522-I565 HydrophobicContact CD2-CD1 3.84Å; F522-I565 HydrophobicContact CD2-CG1 4.15Å; F522-I565 HydrophobicContact CE2-CD1 3.67Å; F522-I565 HydrophobicContact CE2-CG1 4.39Å; P525-I565 HydrophobicContact CB-CG1 3.96Å; A526-I565 HydrophobicContact CB-CD1 4.39Å; L532-I565 HydrophobicContact CD1-CG2 4.06Å; A560-I565 CarbonylContact C-O 3.54Å; A560-I565 HydrophobicContact CB-CB 4.08Å; A560-I565 HydrophobicContact CB-CG2 4.35Å; A560-I565 WeakPolarHBondContact CB-O 3.46Å; A560-I565 PolarHBondContact O-N 3.08Å; D561-I565 PolarHBondContact N-O 2.87Å; V563-I565 HydrophobicContact CG2-CG1 4.46Å; I565-L567 HydrophobicContact CG2-CD2 3.81Å; I565-L567 HydrophobicContact CG2-CG 4.14Å; I565-L639 HydrophobicContact CD1-CD2 4.27Å; I565-N643 HydrophobicContact CD1-CB 3.95Å
566	R	96.6	Very high	95.7	Very high	149 Å²	149	58 Å²	58	56%	0.562	28%	0.279	S	S	*	.			trans	-92.7	108.1	175.7	-66.4	-170.5	-179.9	169.7	-8.7	110.4	G529 E531 L532	G529-R566 WeakPolarHBondContact O-CD 2.94Å; G529-R566 PolarHBondContact O-NH1 3.33Å; G529-R566 VanDerWaalsContact O-NH1 3.13Å; E531-R566 WeakPolarHBondContact CA-O 3.43Å; L532-R566 PolarHBondContact N-O 2.85Å
567	L	97.7	Very high	95.7	Very high	15 Å²	15	60.7 Å²	60.7	8%	0.079	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-98.8	142.4	174.4	-62.6	-175.8	0	0	0	110.1	L532 L556 A560 I565 S569 F595	L532-L567 HydrophobicContact CB-CD2 4.13Å; L532-L567 HydrophobicContact CD1-CD2 4.44Å; L556-L567 HydrophobicContact CD2-CD1 4.25Å; L556-L567 HydrophobicContact CG-CD1 3.92Å; A560-L567 HydrophobicContact CB-CD1 3.78Å; A560-L567 HydrophobicContact CB-CG 3.9Å; I565-L567 HydrophobicContact CG2-CD2 3.81Å; I565-L567 HydrophobicContact CG2-CG 4.14Å; L567-S569 PolarHBondContact O-N 3.13Å; L567-F595 HydrophobicContact CD1-CZ 4.33Å; L567-F595 HydrophobicContact CD2-CE1 3.59Å; L567-F595 HydrophobicContact CD2-CZ 3.92Å
568	S	95.9	Very high	95.6	Very high	7 Å²	7	63.5 Å²	63.5	5%	0.049	31%	0.31	C	S	.	.			trans	-57.8	138.5	174.2	68.5	0	0	0	0	111.8	E531 L532 W534 R570	E531-S568 WeakPolarHBondContact OE2-CA 3.42Å; L532-S568 PolarHBondContact O-N 3.45Å; W534-S568 VanDerWaalsContact CD1-OG 3.32Å; W534-S568 PolarHBondContact NE1-O 2.71Å; S568-R570 PolarHBondContact O-N 3.25Å
569	S	90.5	Very high	95.6	Very high	91 Å²	91	61.7 Å²	61.7	64%	0.636	32%	0.324	S	S	*	.	S	Bend	trans	-64.7	-28	-175.4	60.9	0	0	0	0	113.5	L567	L567-S569 PolarHBondContact O-N 3.13Å
570	R	92.6	Very high	95.7	Very high	178 Å²	178	64.5 Å²	64.5	67%	0.672	34%	0.335	S	S	*	.	S	Bend	trans	-118.9	93.4	178	-65.9	-175.7	-178.8	-178.6	1.4	110	G50 S568	G50-R570 PolarHBondContact O-NH2 3.15Å; S568-R570 PolarHBondContact O-N 3.25Å
571	P	96.9	Very high	95.7	Very high	12 Å²	12	64.7 Å²	64.7	8%	0.078	34%	0.336	C	S	.	.			trans	-66.1	152.4	170.8	25.4	-32.1	0	0	0	111.3	W534 I536 I553 L573	W534-P571 HydrophobicContact CD2-CB 3.78Å; W534-P571 HydrophobicContact CE3-CB 4.14Å; W534-P571 HydrophobicContact CG-CB 4.28Å; W534-P571 HydrophobicContact CH2-CB 4.14Å; W534-P571 HydrophobicContact CH2-CG 3.93Å; W534-P571 HydrophobicContact CZ2-CB 3.76Å; W534-P571 HydrophobicContact CZ2-CG 3.6Å; W534-P571 HydrophobicContact CZ3-CB 4.31Å; W534-P571 VanDerWaalsContact O-CA 3.26Å; W534-P571 WeakPolarHBondContact O-CA 3.44Å; W534-P571 WeakPolarHBondContact O-CB 3.16Å; I536-P571 HydrophobicContact CD1-CB 4.45Å; I536-P571 HydrophobicContact CD1-CG 3.96Å; I536-P571 HydrophobicContact CG1-CB 4.26Å; I536-P571 HydrophobicContact CG1-CG 4.32Å; I553-P571 HydrophobicContact CD1-CG 4.43Å; I553-P571 HydrophobicContact CG1-CG 3.86Å; P571-L573 HydrophobicContact CB-CD2 4.47Å; P571-L573 HydrophobicContact CG-CD2 4.09Å
572	H	97.4	Very high	95.8	Very high	68 Å²	68	63.4 Å²	63.4	32%	0.315	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	139.9	165.8	-61.1	-83.3	0	0	0	109.9	W534 A535 I536 F588 Q591	W534-H572 PolarHBondContact O-N 3.35Å; W534-H572 VanDerWaalsContact O-N 3.1Å; A535-H572 CarbonylContact C-O 3.43Å; A535-H572 VanDerWaalsContact CA-O 3.22Å; A535-H572 WeakPolarHBondContact CA-O 3.33Å; A535-H572 HydrophobicContact CB-CB 3.99Å; I536-H572 PolarHBondContact N-O 3.04Å; H572-F588 HydrophobicContact CB-CD1 3.88Å; H572-F588 HydrophobicContact CB-CE1 3.58Å; H572-Q591 PolarHBondContact ND1-OE1 3.16Å
573	L	96.9	Very high	95.9	Very high	91 Å²	91	61 Å²	61	48%	0.476	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.1	-174.5	-57.2	178.9	0	0	0	110.4	I536 V549 I553 P571	I536-L573 HydrophobicContact CB-CD2 3.74Å; I536-L573 HydrophobicContact CD1-CD2 3.69Å; I536-L573 HydrophobicContact CG1-CD2 3.95Å; V549-L573 HydrophobicContact CG1-CD1 4.11Å; V549-L573 HydrophobicContact CG1-CD2 3.88Å; I553-L573 HydrophobicContact CD1-CD1 3.82Å; I553-L573 HydrophobicContact CD1-CD2 4.01Å; P571-L573 HydrophobicContact CB-CD2 4.47Å; P571-L573 HydrophobicContact CG-CD2 4.09Å
574	S	97.3	Very high	96.1	Very high	25 Å²	25	60.9 Å²	60.9	18%	0.175	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	167.5	168.8	-153.6	0	0	0	0	112.1	I536 L537 C538 K584	I536-S574 PolarHBondContact O-N 2.81Å; L537-S574 WeakPolarHBondContact CA-O 3.23Å; C538-S574 PolarHBondContact N-O 2.76Å; C538-S574 VanDerWaalsContact N-O 3.09Å; S574-K584 WeakPolarHBondContact OG-CE 3.49Å; S574-K584 PolarHBondContact OG-NZ 3.41Å; S574-K584 VanDerWaalsContact OG-NZ 3.15Å
575	Q	97.6	Very high	96.3	Very high	76 Å²	76	59.3 Å²	59.3	36%	0.355	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	139.9	172.6	-44.2	-166.3	-15.9	0	0	107.2	C538 P541 S545	C538-Q575 HydrophobicContact CB-CB 4.09Å; C538-Q575 HydrophobicContact CB-CG 3.78Å; C538-Q575 WeakPolarHBondContact O-CA 3.43Å; P541-Q575 HydrophobicContact CB-CB 4.17Å; P541-Q575 HydrophobicContact CG-CB 4.14Å; S545-Q575 PolarHBondContact OG-NE2 2.93Å; S545-Q575 PolarHBondContact OG-OE1 3.47Å
576	C	97.5	Very high	96.3	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.007	32%	0.318	C	S	.	.			trans	-153.1	152.7	179.9	74.9	0	0	0	0	111.6	C538 P541 E580 K584	C538-C576 PolarHBondContact O-N 3.2Å; P541-C576 WeakPolarHBondContact CD-O 3.48Å; C576-E580 HydrophobicContact CB-CB 3.85Å; C576-K584 HydrophobicContact CB-CG 3.96Å
577	P	97.1	Very high	96.3	Very high	57 Å²	57	58.2 Å²	58.2	37%	0.37	31%	0.305	S	S	.	.			trans	-65.3	164.4	164.2	30.2	-34.6	0	0	0	110.5	G579 E580	P577-G579 PolarHBondContact O-N 3.46Å; P577-E580 WeakPolarHBondContact CD-OE1 3.43Å; P577-E580 HydrophobicContact CG-CB 4.39Å; P577-E580 HydrophobicContact CG-CG 4.05Å; P577-E580 WeakPolarHBondContact CG-OE1 3.13Å; P577-E580 PolarHBondContact O-N 2.9Å; P577-E580 VanDerWaalsContact O-N 3.13Å
578	I	94.9	Very high	96.3	Very high	86 Å²	86	57.6 Å²	57.6	44%	0.441	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-56.4	-33.5	-179.2	-165.7	176.4	0	0	0	113.2	E580 L581 A605 A608	I578-E580 PolarHBondContact O-N 2.95Å; I578-L581 HydrophobicContact CG1-CD1 3.76Å; I578-L581 WeakPolarHBondContact O-CD1 3.45Å; I578-L581 VanDerWaalsContact O-CG 3.26Å; I578-L581 WeakPolarHBondContact O-CG 3.44Å; I578-L581 PolarHBondContact O-N 3.44Å; I578-A605 HydrophobicContact CD1-CB 4.3Å; I578-A605 HydrophobicContact CG1-CB 4.3Å; I578-A608 HydrophobicContact CD1-CB 4.18Å; I578-A608 HydrophobicContact CG1-CB 4.31Å
579	G	95	Very high	96.2	Very high	67 Å²	67	59.8 Å²	59.8	69%	0.691	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-67.3	-18	-178.7	0	0	0	0	0	114.5	P577	P577-G579 PolarHBondContact O-N 3.46Å
580	E	97.2	Very high	96.5	Very high	70 Å²	70	65.6 Å²	65.6	33%	0.327	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-100.3	3.4	-178	-73.1	-176.5	-132.9	0	0	113.6	C576 P577 I578 N582 R583 K584	C576-E580 HydrophobicContact CB-CB 3.85Å; P577-E580 WeakPolarHBondContact CD-OE1 3.43Å; P577-E580 HydrophobicContact CG-CB 4.39Å; P577-E580 HydrophobicContact CG-CG 4.05Å; P577-E580 WeakPolarHBondContact CG-OE1 3.13Å; P577-E580 PolarHBondContact O-N 2.9Å; P577-E580 VanDerWaalsContact O-N 3.13Å; I578-E580 PolarHBondContact O-N 2.95Å; E580-N582 VanDerWaalsContact C-N 3.34Å; E580-N582 PolarHBondContact O-N 2.85Å; E580-R583 PolarHBondContact O-N 3.45Å; E580-R583 IonicContact OE2-CZ 2.85Å; E580-R583 IonicContact OE2-NE 3.65Å; E580-R583 IonicContact OE2-NH2 3.82Å; E580-R583 PolarHBondContact OE2-NH2 2.91Å; E580-K584 PolarHBondContact O-N 2.95Å; E580-K584 VanDerWaalsContact O-N 3.1Å
581	L	97	Very high	96.6	Very high	4 Å²	4	60.2 Å²	60.2	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-55.4	-45.1	-176.7	-75.3	173.1	0	0	0	112.7	L537 V539 I578 R583 K584 F585 A608 I609 L612	L537-L581 HydrophobicContact CD2-CD2 4.07Å; V539-L581 HydrophobicContact CG1-CD2 4.38Å; V539-L581 HydrophobicContact CG2-CD2 3.96Å; I578-L581 HydrophobicContact CG1-CD1 3.76Å; I578-L581 WeakPolarHBondContact O-CD1 3.45Å; I578-L581 VanDerWaalsContact O-CG 3.26Å; I578-L581 WeakPolarHBondContact O-CG 3.44Å; I578-L581 PolarHBondContact O-N 3.44Å; L581-R583 PolarHBondContact O-N 3.4Å; L581-K584 PolarHBondContact O-N 2.85Å; L581-F585 HydrophobicContact CD2-CE2 4Å; L581-F585 WeakPolarHBondContact O-CB 3.31Å; L581-F585 WeakPolarHBondContact O-CD2 3.36Å; L581-F585 PolarHBondContact O-N 2.78Å; L581-A608 HydrophobicContact CD1-CB 4.07Å; L581-I609 HydrophobicContact CD1-CG1 3.81Å; L581-I609 HydrophobicContact CD2-CG1 4Å; L581-L612 HydrophobicContact CB-CD2 4Å
582	N	96.1	Very high	96.5	Very high	84 Å²	84	61.9 Å²	61.9	45%	0.449	33%	0.327	S	S	.	.	H	α-helix	trans	-54.6	-55	179.1	-68.2	-64.2	0	0	0	111.4	E580 K584 F585 D586 L612	E580-N582 VanDerWaalsContact C-N 3.34Å; E580-N582 PolarHBondContact O-N 2.85Å; N582-K584 VanDerWaalsContact C-N 3.28Å; N582-K584 PolarHBondContact O-N 3Å; N582-F585 PolarHBondContact O-N 3.32Å; N582-D586 PolarHBondContact O-N 3.12Å; N582-L612 WeakPolarHBondContact OD1-CD1 3.44Å
583	R	97.2	Very high	96.5	Very high	145 Å²	145	59 Å²	59	55%	0.547	32%	0.315	S	S	.	.	H	α-helix	trans	-55.6	-43.5	179.2	-174.7	-179.8	74.5	121.3	-5.8	111.9	E580 L581 E587	E580-R583 PolarHBondContact O-N 3.45Å; E580-R583 IonicContact OE2-CZ 2.85Å; E580-R583 IonicContact OE2-NE 3.65Å; E580-R583 IonicContact OE2-NH2 3.82Å; E580-R583 PolarHBondContact OE2-NH2 2.91Å; L581-R583 PolarHBondContact O-N 3.4Å; R583-E587 WeakPolarHBondContact O-CB 3.42Å; R583-E587 PolarHBondContact O-N 2.98Å
584	K	97.4	Very high	96.4	Very high	19 Å²	19	56.2 Å²	56.2	8%	0.083	31%	0.305	C	S	.	.	H	α-helix	trans	-71.4	-39.2	-179	-71.3	-60.5	178.8	-173.1	0	113.2	L537 S574 C576 E580 L581 N582 E587 F588	L537-K584 HydrophobicContact CD1-CB 4.48Å; L537-K584 HydrophobicContact CD1-CG 4.46Å; L537-K584 HydrophobicContact CD2-CB 4.26Å; S574-K584 WeakPolarHBondContact OG-CE 3.49Å; S574-K584 PolarHBondContact OG-NZ 3.41Å; S574-K584 VanDerWaalsContact OG-NZ 3.15Å; C576-K584 HydrophobicContact CB-CG 3.96Å; E580-K584 PolarHBondContact O-N 2.95Å; E580-K584 VanDerWaalsContact O-N 3.1Å; L581-K584 PolarHBondContact O-N 2.85Å; N582-K584 VanDerWaalsContact C-N 3.28Å; N582-K584 PolarHBondContact O-N 3Å; K584-E587 WeakPolarHBondContact CD-OE2 3.49Å; K584-E587 IonicContact NZ-OE1 3.48Å; K584-E587 IonicContact NZ-OE2 3.8Å; K584-E587 PolarHBondContact NZ-OE2 2.97Å; K584-E587 PolarHBondContact O-N 3.07Å; K584-F588 HydrophobicContact CB-CE2 4.27Å; K584-F588 WeakPolarHBondContact O-CD2 3.5Å; K584-F588 WeakPolarHBondContact O-CG 3.27Å; K584-F588 PolarHBondContact O-N 2.94Å
585	F	97.2	Very high	96.4	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-66.3	-41.1	175.2	-84.7	-121.2	0	0	0	111.8	L537 L581 N582 E587 F588 S589 L596 L598 I609 L612 I617 I619 T621	L537-F585 HydrophobicContact CD2-CD2 4.3Å; L537-F585 HydrophobicContact CD2-CE2 3.91Å; L581-F585 HydrophobicContact CD2-CE2 4Å; L581-F585 WeakPolarHBondContact O-CB 3.31Å; L581-F585 WeakPolarHBondContact O-CD2 3.36Å; L581-F585 PolarHBondContact O-N 2.78Å; N582-F585 PolarHBondContact O-N 3.32Å; F585-E587 VanDerWaalsContact C-N 3.34Å; F585-F588 PolarHBondContact O-N 3.5Å; F585-S589 VanDerWaalsContact O-CB 3.25Å; F585-S589 WeakPolarHBondContact O-CB 3.39Å; F585-S589 PolarHBondContact O-N 3.21Å; F585-L596 HydrophobicContact CD1-CD2 4.25Å; F585-L596 HydrophobicContact CD2-CD2 4.02Å; F585-L596 HydrophobicContact CE1-CD2 4.07Å; F585-L596 HydrophobicContact CE2-CD2 3.86Å; F585-L596 HydrophobicContact CG-CD2 4.21Å; F585-L596 HydrophobicContact CZ-CD2 3.87Å; F585-L598 HydrophobicContact CE2-CD2 3.96Å; F585-L598 HydrophobicContact CZ-CD1 4.38Å; F585-L598 HydrophobicContact CZ-CD2 3.88Å; F585-I609 HydrophobicContact CZ-CG2 4.06Å; F585-L612 HydrophobicContact CB-CD2 3.82Å; F585-L612 HydrophobicContact CB-CG 4.31Å; F585-L612 HydrophobicContact CD1-CD2 3.86Å; F585-L612 HydrophobicContact CD1-CG 3.94Å; F585-L612 HydrophobicContact CD2-CD2 3.72Å; F585-L612 HydrophobicContact CE1-CD2 4.4Å; F585-L612 HydrophobicContact CE1-CG 4.48Å; F585-L612 HydrophobicContact CE2-CD2 4.27Å; F585-L612 HydrophobicContact CG-CD2 3.5Å; F585-L612 VanDerWaalsContact CG-CD2 3.5Å; F585-L612 HydrophobicContact CG-CG 4.06Å; F585-I617 HydrophobicContact CB-CD1 3.27Å; F585-I617 HydrophobicContact CB-CG2 4.49Å; F585-I617 HydrophobicContact CD1-CD1 4.44Å; F585-I617 HydrophobicContact CG-CD1 4.27Å; F585-I619 HydrophobicContact CD1-CG2 3.56Å; F585-I619 HydrophobicContact CE1-CG2 3.9Å; F585-T621 HydrophobicContact CE1-CG2 3.62Å; F585-T621 HydrophobicContact CZ-CG2 3.93Å
586	D	95.9	Very high	96.4	Very high	63 Å²	63	51.6 Å²	51.6	34%	0.337	28%	0.28	S	S	.	.	H	α-helix	trans	-61.2	-43.4	174.6	-71.9	-24.7	0	0	0	111.5	N582 S589 R590 I617	N582-D586 PolarHBondContact O-N 3.12Å; D586-S589 PolarHBondContact O-N 3.03Å; D586-R590 WeakPolarHBondContact O-CG 3.37Å; D586-R590 PolarHBondContact O-N 3.31Å; D586-I617 VanDerWaalsContact OD1-CD1 3.24Å; D586-I617 WeakPolarHBondContact OD1-CD1 3.46Å
587	E	97	Very high	96.5	Very high	64 Å²	64	51.6 Å²	51.6	30%	0.299	28%	0.28	S	S	.	.	H	α-helix	trans	-56.9	-53.1	175.7	-175	-174.3	154.3	0	0	111.3	R583 K584 F585 S589 R590 Q591	R583-E587 WeakPolarHBondContact O-CB 3.42Å; R583-E587 PolarHBondContact O-N 2.98Å; K584-E587 WeakPolarHBondContact CD-OE2 3.49Å; K584-E587 IonicContact NZ-OE1 3.48Å; K584-E587 IonicContact NZ-OE2 3.8Å; K584-E587 PolarHBondContact NZ-OE2 2.97Å; K584-E587 PolarHBondContact O-N 3.07Å; F585-E587 VanDerWaalsContact C-N 3.34Å; E587-S589 PolarHBondContact O-N 3.16Å; E587-R590 PolarHBondContact O-N 2.82Å; E587-Q591 VanDerWaalsContact O-CG 3.3Å; E587-Q591 WeakPolarHBondContact O-CG 3.49Å; E587-Q591 PolarHBondContact O-N 2.95Å; E587-Q591 VanDerWaalsContact O-N 3.08Å
588	F	97.3	Very high	96.5	Very high	1 Å²	1	48.9 Å²	48.9	0%	0.004	26%	0.262	C	S	.	.	H	α-helix	trans	-68.6	-32.5	-179.7	-65.3	-52.9	0	0	0	113.3	A535 L537 H572 K584 F585 Q591 G592 C593 L596	A535-F588 HydrophobicContact CB-CB 4.43Å; A535-F588 HydrophobicContact CB-CD1 3.41Å; A535-F588 VanDerWaalsContact CB-CD1 3.41Å; A535-F588 HydrophobicContact CB-CD2 4.22Å; A535-F588 HydrophobicContact CB-CE1 3.57Å; A535-F588 HydrophobicContact CB-CE2 4.32Å; A535-F588 HydrophobicContact CB-CG 3.78Å; A535-F588 HydrophobicContact CB-CZ 4.01Å; L537-F588 HydrophobicContact CB-CE2 4.26Å; L537-F588 HydrophobicContact CD1-CE2 4.18Å; L537-F588 HydrophobicContact CD2-CE2 4.33Å; L537-F588 HydrophobicContact CG-CE2 4.49Å; H572-F588 HydrophobicContact CB-CD1 3.88Å; H572-F588 HydrophobicContact CB-CE1 3.58Å; K584-F588 HydrophobicContact CB-CE2 4.27Å; K584-F588 WeakPolarHBondContact O-CD2 3.5Å; K584-F588 WeakPolarHBondContact O-CG 3.27Å; K584-F588 PolarHBondContact O-N 2.94Å; F585-F588 PolarHBondContact O-N 3.5Å; F588-Q591 VanDerWaalsContact CD1-OE1 3.26Å; F588-Q591 PolarHBondContact O-N 3.01Å; F588-G592 PolarHBondContact O-N 2.8Å; F588-C593 HydrophobicContact CB-CB 4.36Å; F588-C593 WeakPolarHBondContact O-CB 3.43Å; F588-C593 PolarHBondContact O-N 3.16Å; F588-C593 VanDerWaalsContact O-N 3.16Å; F588-L596 HydrophobicContact CB-CD1 3.85Å; F588-L596 HydrophobicContact CB-CD2 4.49Å; F588-L596 HydrophobicContact CB-CG 4.41Å; F588-L596 HydrophobicContact CD2-CD1 4.4Å; F588-L596 HydrophobicContact CD2-CD2 3.68Å; F588-L596 HydrophobicContact CD2-CG 4.05Å; F588-L596 HydrophobicContact CE2-CD2 4.35Å; F588-L596 HydrophobicContact CG-CD1 4.36Å; F588-L596 HydrophobicContact CG-CD2 4.43Å; F588-L596 HydrophobicContact CG-CG 4.43Å
589	S	94.8	Very high	96.7	Very high	54 Å²	54	44.8 Å²	44.8	38%	0.378	24%	0.241	S	C	.	.	H	α-helix	trans	-65.4	-44.4	174.9	179.8	0	0	0	0	111.3	F585 D586 E587 Q591 G592	F585-S589 VanDerWaalsContact O-CB 3.25Å; F585-S589 WeakPolarHBondContact O-CB 3.39Å; F585-S589 PolarHBondContact O-N 3.21Å; D586-S589 PolarHBondContact O-N 3.03Å; E587-S589 PolarHBondContact O-N 3.16Å; S589-Q591 VanDerWaalsContact C-N 3.26Å; S589-Q591 PolarHBondContact O-N 3.34Å; S589-G592 PolarHBondContact O-N 3.21Å
590	R	95.7	Very high	96.8	Very high	212 Å²	212	42 Å²	42	80%	0.8	21%	0.211	S	C	*	.	H	α-helix	trans	-65.4	-28.3	174.5	-71.5	179.4	-169.4	140.9	6.2	113.3	D586 E587 G592	D586-R590 WeakPolarHBondContact O-CG 3.37Å; D586-R590 PolarHBondContact O-N 3.31Å; E587-R590 PolarHBondContact O-N 2.82Å; R590-G592 PolarHBondContact O-N 2.96Å
591	Q	95.8	Very high	96.8	Very high	65 Å²	65	40 Å²	40	30%	0.304	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-1.4	172.5	-71.6	168.3	-11.7	0	0	113.3	H572 E587 F588 S589 C593	H572-Q591 PolarHBondContact ND1-OE1 3.16Å; E587-Q591 VanDerWaalsContact O-CG 3.3Å; E587-Q591 WeakPolarHBondContact O-CG 3.49Å; E587-Q591 PolarHBondContact O-N 2.95Å; E587-Q591 VanDerWaalsContact O-N 3.08Å; F588-Q591 VanDerWaalsContact CD1-OE1 3.26Å; F588-Q591 PolarHBondContact O-N 3.01Å; S589-Q591 VanDerWaalsContact C-N 3.26Å; S589-Q591 PolarHBondContact O-N 3.34Å; Q591-C593 PolarHBondContact O-N 2.8Å
592	G	94.9	Very high	96.6	Very high	47 Å²	47	42.5 Å²	42.5	49%	0.485	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	75	21.3	177.5	0	0	0	0	0	114.1	F588 S589 R590 A594	F588-G592 PolarHBondContact O-N 2.8Å; S589-G592 PolarHBondContact O-N 3.21Å; R590-G592 PolarHBondContact O-N 2.96Å; G592-A594 PolarHBondContact O-N 2.9Å
593	C	97	Very high	96.1	Very high	9 Å²	9	44.2 Å²	44.2	6%	0.061	22%	0.219	C	C	.	.			trans	-62.3	125.1	176.6	-71.4	0	0	0	0	111.1	L533 F588 Q591 L596 I619	L533-C593 CarbonylContact O-C 3.59Å; F588-C593 HydrophobicContact CB-CB 4.36Å; F588-C593 WeakPolarHBondContact O-CB 3.43Å; F588-C593 PolarHBondContact O-N 3.16Å; F588-C593 VanDerWaalsContact O-N 3.16Å; Q591-C593 PolarHBondContact O-N 2.8Å; C593-L596 HydrophobicContact CB-CD1 4.33Å; C593-I619 HydrophobicContact CB-CD1 3.86Å; C593-I619 WeakPolarHBondContact O-CD1 3.21Å
594	A	94.9	Very high	95.8	Very high	32 Å²	32	44.3 Å²	44.3	26%	0.264	23%	0.225	S	C	.	.	S	Bend	trans	-68.3	-34.9	174.2	0	0	0	0	0	112	L532 L533 G592 L646	L532-A594 HydrophobicContact CB-CB 4.25Å; L532-A594 HydrophobicContact CD2-CB 4.04Å; L533-A594 WeakPolarHBondContact O-CB 3.36Å; L533-A594 PolarHBondContact O-N 3.41Å; G592-A594 PolarHBondContact O-N 2.9Å; A594-L646 HydrophobicContact CB-CD2 4.38Å
595	F	96.8	Very high	95.6	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.018	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	160.9	172.4	73.5	-77.8	0	0	0	113.7	W534 A535 L567 L597 R620 I642 L646	W534-F595 WeakPolarHBondContact CA-O 3.44Å; W534-F595 HydrophobicContact CB-CD1 3.89Å; W534-F595 HydrophobicContact CB-CE1 3.48Å; W534-F595 VanDerWaalsContact CB-CE1 3.48Å; W534-F595 HydrophobicContact CB-CE2 4.26Å; W534-F595 HydrophobicContact CB-CG 4.43Å; W534-F595 HydrophobicContact CB-CZ 3.68Å; W534-F595 HydrophobicContact CD2-CZ 4.04Å; W534-F595 HydrophobicContact CE3-CE2 4.1Å; W534-F595 AromaticContact CE3-CZ 3.94Å; W534-F595 HydrophobicContact CE3-CZ 3.94Å; W534-F595 HydrophobicContact CG-CE1 4.07Å; W534-F595 AromaticContact CG-CZ 3.97Å; W534-F595 HydrophobicContact CG-CZ 3.97Å; A535-F595 PolarHBondContact N-O 3.17Å; L567-F595 HydrophobicContact CD1-CZ 4.33Å; L567-F595 HydrophobicContact CD2-CE1 3.59Å; L567-F595 HydrophobicContact CD2-CZ 3.92Å; F595-L597 HydrophobicContact CE2-CB 4.42Å; F595-R620 CarbonylContact C-O 3.6Å; F595-R620 WeakPolarHBondContact CA-O 3.47Å; F595-R620 HydrophobicContact CB-CB 3.93Å; F595-R620 WeakPolarHBondContact CB-O 3.46Å; F595-I642 HydrophobicContact CE1-CG2 4.43Å; F595-I642 HydrophobicContact CE2-CD1 4.18Å; F595-I642 HydrophobicContact CE2-CG2 4.37Å; F595-I642 HydrophobicContact CZ-CG2 4.3Å; F595-L646 HydrophobicContact CB-CD2 4.22Å; F595-L646 HydrophobicContact CD1-CD1 3.88Å; F595-L646 HydrophobicContact CD1-CD2 4.44Å; F595-L646 HydrophobicContact CE1-CD1 4.34Å; F595-L646 HydrophobicContact CG-CD1 4.47Å
596	L	97.9	Very high	95.6	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129.9	170.6	-84.2	63.3	0	0	0	110.7	A535 F585 F588 C593 L598 I619 R620 T621 Q622	A535-L596 HydrophobicContact CB-CD1 4.48Å; A535-L596 HydrophobicContact CB-CG 4.23Å; F585-L596 HydrophobicContact CD1-CD2 4.25Å; F585-L596 HydrophobicContact CD2-CD2 4.02Å; F585-L596 HydrophobicContact CE1-CD2 4.07Å; F585-L596 HydrophobicContact CE2-CD2 3.86Å; F585-L596 HydrophobicContact CG-CD2 4.21Å; F585-L596 HydrophobicContact CZ-CD2 3.87Å; F588-L596 HydrophobicContact CB-CD1 3.85Å; F588-L596 HydrophobicContact CB-CD2 4.49Å; F588-L596 HydrophobicContact CB-CG 4.41Å; F588-L596 HydrophobicContact CD2-CD1 4.4Å; F588-L596 HydrophobicContact CD2-CD2 3.68Å; F588-L596 HydrophobicContact CD2-CG 4.05Å; F588-L596 HydrophobicContact CE2-CD2 4.35Å; F588-L596 HydrophobicContact CG-CD1 4.36Å; F588-L596 HydrophobicContact CG-CD2 4.43Å; F588-L596 HydrophobicContact CG-CG 4.43Å; C593-L596 HydrophobicContact CB-CD1 4.33Å; L596-L598 HydrophobicContact CB-CD1 3.87Å; L596-I619 HydrophobicContact CD1-CD1 3.11Å; L596-I619 HydrophobicContact CD1-CG1 3.62Å; L596-I619 HydrophobicContact CD1-CG2 4.15Å; L596-R620 PolarHBondContact N-O 2.92Å; L596-T621 HydrophobicContact CB-CG2 4.3Å; L596-T621 WeakPolarHBondContact O-CA 3.42Å; L596-Q622 PolarHBondContact O-N 2.85Å
597	L	98.4	Very high	95.5	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	114.5	163.5	-173.8	78.7	0	0	0	109.7	W534 A535 I536 L537 V552 L556 F595 Q622 V624 L638	W534-L597 HydrophobicContact CE3-CB 4.42Å; W534-L597 HydrophobicContact CZ3-CB 4.33Å; W534-L597 HydrophobicContact CZ3-CD2 4.3Å; A535-L597 PolarHBondContact O-N 2.83Å; I536-L597 WeakPolarHBondContact CA-O 3.32Å; L537-L597 PolarHBondContact N-O 2.84Å; V552-L597 HydrophobicContact CB-CD2 4.31Å; V552-L597 HydrophobicContact CG1-CD2 3.34Å; V552-L597 HydrophobicContact CG2-CD2 3.94Å; L556-L597 HydrophobicContact CD2-CD2 4.2Å; F595-L597 HydrophobicContact CE2-CB 4.42Å; L597-Q622 CarbonylContact C-O 3.56Å; L597-Q622 WeakPolarHBondContact CA-O 3.24Å; L597-Q622 HydrophobicContact CD1-CB 4.06Å; L597-Q622 HydrophobicContact CD1-CG 3.9Å; L597-Q622 WeakPolarHBondContact CD1-O 3.36Å; L597-V624 HydrophobicContact CD1-CG2 3.95Å; L597-L638 HydrophobicContact CD1-CD2 3.74Å
598	L	98.4	Very high	95.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	123.8	-179.8	-63.6	100.7	0	0	0	111.3	L537 V539 F585 L596 L600 I609 T621 Q622 C623 V624	L537-L598 HydrophobicContact CB-CD2 4.37Å; L537-L598 HydrophobicContact CB-CG 4.31Å; L537-L598 HydrophobicContact CD2-CD2 3.97Å; L537-L598 HydrophobicContact CG-CD2 4.46Å; L537-L598 CarbonylContact O-C 3.58Å; L537-L598 VanDerWaalsContact O-CA 3.27Å; L537-L598 WeakPolarHBondContact O-CA 3.32Å; V539-L598 HydrophobicContact CG2-CD2 4.39Å; F585-L598 HydrophobicContact CE2-CD2 3.96Å; F585-L598 HydrophobicContact CZ-CD1 4.38Å; F585-L598 HydrophobicContact CZ-CD2 3.88Å; L596-L598 HydrophobicContact CB-CD1 3.87Å; L598-L600 HydrophobicContact CB-CD2 4.22Å; L598-I609 HydrophobicContact CD1-CG2 4.16Å; L598-I609 HydrophobicContact CD2-CB 4.48Å; L598-I609 HydrophobicContact CD2-CD1 3.6Å; L598-I609 HydrophobicContact CD2-CG1 3.77Å; L598-I609 HydrophobicContact CD2-CG2 3.87Å; L598-T621 HydrophobicContact CD1-CG2 3.74Å; L598-Q622 PolarHBondContact N-O 2.85Å; L598-C623 CarbonylContact O-C 3.56Å; L598-C623 WeakPolarHBondContact O-CA 3.23Å; L598-V624 PolarHBondContact O-N 2.91Å
599	I	98.4	Very high	95.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	113.7	174.5	-51.5	178.1	0	0	0	108.1	I536 L537 V539 H548 V549 V552 Y601 V624 L629	I536-I599 HydrophobicContact CG2-CD1 3.84Å; I536-I599 HydrophobicContact CG2-CG1 4.16Å; L537-I599 PolarHBondContact O-N 3.47Å; V539-I599 PolarHBondContact N-O 3.07Å; H548-I599 HydrophobicContact CB-CD1 4.12Å; V549-I599 HydrophobicContact CG2-CD1 4.13Å; V552-I599 HydrophobicContact CG2-CD1 4.24Å; I599-Y601 HydrophobicContact CB-CE2 4.16Å; I599-Y601 HydrophobicContact CG2-CE2 3.66Å; I599-Y601 WeakPolarHBondContact CG2-OH 3.47Å; I599-V624 WeakPolarHBondContact CA-O 3.39Å; I599-L629 HydrophobicContact CD1-CD1 3.86Å; I599-L629 HydrophobicContact CG1-CD1 4.05Å; I599-L629 HydrophobicContact CG2-CD1 3.8Å
600	L	98.1	Very high	95.6	Very high	9 Å²	9	40.4 Å²	40.4	5%	0.047	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	125.5	-175.2	-53.5	-174.5	0	0	0	111.1	V539 L598 Y606 I609 C623 V624 S626	V539-L600 HydrophobicContact CB-CD2 4.3Å; V539-L600 WeakPolarHBondContact O-CA 3.18Å; L598-L600 HydrophobicContact CB-CD2 4.22Å; L600-Y606 HydrophobicContact CD1-CD2 4.11Å; L600-I609 HydrophobicContact CD2-CD1 3.54Å; L600-C623 HydrophobicContact CD1-CB 3.8Å; L600-C623 HydrophobicContact CG-CB 4.24Å; L600-V624 PolarHBondContact N-O 3.15Å; L600-S626 PolarHBondContact O-N 3.1Å
601	Y	97	Very high	95.6	Very high	29 Å²	29	32.3 Å²	32.3	11%	0.114	17%	0.171	C	C	.	.	S	Bend	trans	-99.7	-14.6	176.8	-65.4	-85.7	0	0	0	113.2	C538 V539 P540 D542 R544 S545 H548 I599	C538-Y601 HydrophobicContact CB-CE2 3.91Å; V539-Y601 PolarHBondContact O-N 2.84Å; P540-Y601 WeakPolarHBondContact O-CD2 3.17Å; D542-Y601 HydrophobicContact CB-CD1 3.44Å; D542-Y601 VanDerWaalsContact CB-CD1 3.44Å; D542-Y601 HydrophobicContact CB-CD2 3.71Å; D542-Y601 HydrophobicContact CB-CE1 3.67Å; D542-Y601 HydrophobicContact CB-CE2 3.97Å; D542-Y601 HydrophobicContact CB-CG 3.45Å; D542-Y601 VanDerWaalsContact CB-CG 3.45Å; D542-Y601 VanDerWaalsContact OD2-CD1 3.23Å; D542-Y601 WeakPolarHBondContact OD2-CD1 3.26Å; R544-Y601 HydrophobicContact CB-CE1 4.11Å; S545-Y601 WeakPolarHBondContact CA-OH 3.38Å; S545-Y601 WeakPolarHBondContact CB-OH 3.42Å; S545-Y601 PolarHBondContact N-OH 3.5Å; H548-Y601 AromaticContact CE1-CE1 3.89Å; H548-Y601 AromaticContact ND1-CE1 3.57Å; H548-Y601 AromaticContact ND1-CZ 3.66Å; H548-Y601 PolarHBondContact ND1-OH 3.07Å; I599-Y601 HydrophobicContact CB-CE2 4.16Å; I599-Y601 HydrophobicContact CG2-CE2 3.66Å; I599-Y601 WeakPolarHBondContact CG2-OH 3.47Å
602	D	92.7	Very high	95.5	Very high	55 Å²	55	29.5 Å²	29.5	29%	0.294	16%	0.158	S	C	.	.	S	Bend	trans	-132.2	-173.7	169.9	67.7	38.1	0	0	0	111.6	P540 H604 A605	P540-D602 VanDerWaalsContact CD-OD2 3.23Å; P540-D602 WeakPolarHBondContact CD-OD2 3.48Å; D602-H604 PolarHBondContact OD1-N 3.25Å; D602-H604 IonicContact OD2-CD2 2.86Å; D602-A605 PolarHBondContact OD1-N 3.29Å
603	E	85.9	Confident	95.6	Very high	120 Å²	120	27.2 Å²	27.2	56%	0.561	14%	0.135	S	C	*	.	S	Bend	trans	-102.5	-4.7	176.7	-58.2	-165.1	149.9	0	0	113.5	R625	E603-R625 IonicContact OE1-CZ 3.3Å; E603-R625 IonicContact OE1-NH1 3.71Å; E603-R625 PolarHBondContact OE1-NH1 3.01Å; E603-R625 IonicContact OE1-NH2 3.98Å; E603-R625 PolarHBondContact OE1-NH2 2.96Å
604	H	90.2	Very high	95.6	Very high	148 Å²	148	26.9 Å²	26.9	69%	0.685	13%	0.133	S	C	*	.	S	Bend	trans	-79.3	-33.2	-168.2	-60.7	-61.2	0	0	0	112.8	D602	D602-H604 PolarHBondContact OD1-N 3.25Å; D602-H604 IonicContact OD2-CD2 2.86Å
605	A	94.3	Very high	95.6	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.008	13%	0.125	C	C	.	.	H	α-helix	trans	-76	-22.7	-175.7	0	0	0	0	0	114.4	V539 I578 D602 A608 I609	V539-A605 HydrophobicContact CB-CB 4.31Å; V539-A605 HydrophobicContact CG1-CB 3.5Å; I578-A605 HydrophobicContact CD1-CB 4.3Å; I578-A605 HydrophobicContact CG1-CB 4.3Å; D602-A605 PolarHBondContact OD1-N 3.29Å; A605-A608 PolarHBondContact O-N 3.02Å; A605-I609 HydrophobicContact CB-CD1 3.75Å; A605-I609 HydrophobicContact CB-CG1 4.43Å; A605-I609 WeakPolarHBondContact O-CB 3.16Å; A605-I609 WeakPolarHBondContact O-CD1 3.26Å; A605-I609 VanDerWaalsContact O-CG1 3.27Å; A605-I609 WeakPolarHBondContact O-CG1 3.47Å; A605-I609 PolarHBondContact O-N 2.95Å
606	Y	95.9	Very high	95.5	Very high	73 Å²	73	31 Å²	31	29%	0.286	15%	0.147	S	C	.	.	H	α-helix	trans	-59.3	-46.7	-169.3	176.4	-94.6	0	0	0	114.1	L600 A608 I609 K610 C623 R888 D891	L600-Y606 HydrophobicContact CD1-CD2 4.11Å; Y606-A608 PolarHBondContact O-N 3.23Å; Y606-I609 PolarHBondContact O-N 3.45Å; Y606-K610 HydrophobicContact CD2-CG 4.31Å; Y606-K610 HydrophobicContact CE1-CG 4.48Å; Y606-K610 HydrophobicContact CE2-CG 4.14Å; Y606-K610 WeakPolarHBondContact O-CB 3.22Å; Y606-K610 WeakPolarHBondContact O-CG 3.27Å; Y606-K610 PolarHBondContact O-N 2.99Å; Y606-K610 VanDerWaalsContact O-N 3.12Å; Y606-C623 HydrophobicContact CD2-CB 4.12Å; Y606-C623 HydrophobicContact CE2-CB 4.27Å; Y606-R888 PolarHBondContact OH-NH1 2.84Å; Y606-R888 PolarHBondContact OH-NH2 2.99Å; Y606-D891 HydrophobicContact CE1-CB 4.42Å; Y606-D891 WeakPolarHBondContact CE1-OD2 3.32Å
607	P	94.9	Very high	95.3	Very high	21 Å²	21	32.3 Å²	32.3	14%	0.136	15%	0.154	C	C	.	.	H	α-helix	trans	-58.3	-44.9	174.6	-28.8	38.6	0	0	0	114.1	K610 R611 D891	P607-K610 PolarHBondContact O-N 2.83Å; P607-R611 WeakPolarHBondContact O-CB 3.47Å; P607-R611 PolarHBondContact O-N 2.91Å; P607-D891 WeakPolarHBondContact CB-O 3.38Å
608	A	95.4	Very high	95.1	Very high	20 Å²	20	32.8 Å²	32.8	17%	0.165	16%	0.159	C	C	.	.	H	α-helix	trans	-65	-45.4	-179.3	0	0	0	0	0	111.7	I578 L581 A605 Y606 K610 R611 L612	I578-A608 HydrophobicContact CD1-CB 4.18Å; I578-A608 HydrophobicContact CG1-CB 4.31Å; L581-A608 HydrophobicContact CD1-CB 4.07Å; A605-A608 PolarHBondContact O-N 3.02Å; Y606-A608 PolarHBondContact O-N 3.23Å; A608-K610 VanDerWaalsContact C-N 3.26Å; A608-K610 PolarHBondContact O-N 2.92Å; A608-R611 PolarHBondContact O-N 3.48Å; A608-L612 VanDerWaalsContact O-CB 3.31Å; A608-L612 WeakPolarHBondContact O-CB 3.27Å; A608-L612 PolarHBondContact O-N 2.91Å
609	I	97.5	Very high	94.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-52.8	-46.9	174.3	-74.8	162	0	0	0	110.9	L581 F585 L598 L600 A605 Y606 L612 S613	L581-I609 HydrophobicContact CD1-CG1 3.81Å; L581-I609 HydrophobicContact CD2-CG1 4Å; F585-I609 HydrophobicContact CZ-CG2 4.06Å; L598-I609 HydrophobicContact CD1-CG2 4.16Å; L598-I609 HydrophobicContact CD2-CB 4.48Å; L598-I609 HydrophobicContact CD2-CD1 3.6Å; L598-I609 HydrophobicContact CD2-CG1 3.77Å; L598-I609 HydrophobicContact CD2-CG2 3.87Å; L600-I609 HydrophobicContact CD2-CD1 3.54Å; A605-I609 HydrophobicContact CB-CD1 3.75Å; A605-I609 HydrophobicContact CB-CG1 4.43Å; A605-I609 WeakPolarHBondContact O-CB 3.16Å; A605-I609 WeakPolarHBondContact O-CD1 3.26Å; A605-I609 VanDerWaalsContact O-CG1 3.27Å; A605-I609 WeakPolarHBondContact O-CG1 3.47Å; A605-I609 PolarHBondContact O-N 2.95Å; Y606-I609 PolarHBondContact O-N 3.45Å; I609-L612 PolarHBondContact O-N 2.74Å; I609-S613 PolarHBondContact O-N 3.05Å; I609-S613 PolarHBondContact O-OG 2.79Å
610	K	96.9	Very high	94.8	Very high	3 Å²	3	34.6 Å²	34.6	1%	0.013	17%	0.167	C	C	.	.	H	α-helix	trans	-78.2	-36.2	-171.4	-66.2	-68.6	-173.2	-177.5	0	112.9	Y606 P607 A608 L612 S613 D614 T621 R888 W892	Y606-K610 HydrophobicContact CD2-CG 4.31Å; Y606-K610 HydrophobicContact CE1-CG 4.48Å; Y606-K610 HydrophobicContact CE2-CG 4.14Å; Y606-K610 WeakPolarHBondContact O-CB 3.22Å; Y606-K610 WeakPolarHBondContact O-CG 3.27Å; Y606-K610 PolarHBondContact O-N 2.99Å; Y606-K610 VanDerWaalsContact O-N 3.12Å; P607-K610 PolarHBondContact O-N 2.83Å; A608-K610 VanDerWaalsContact C-N 3.26Å; A608-K610 PolarHBondContact O-N 2.92Å; K610-L612 VanDerWaalsContact C-N 3.31Å; K610-L612 PolarHBondContact O-N 3Å; K610-S613 PolarHBondContact O-OG 2.99Å; K610-D614 WeakPolarHBondContact O-CB 3.42Å; K610-D614 PolarHBondContact O-N 2.86Å; K610-T621 PolarHBondContact NZ-O 3.34Å; K610-T621 VanDerWaalsContact NZ-O 3.1Å; K610-T621 PolarHBondContact NZ-OG1 2.98Å; K610-R888 VanDerWaalsContact CE-NH1 3.35Å; K610-W892 PolarHBondContact O-NE1 3.21Å
611	R	95.3	Very high	94.7	Very high	42 Å²	42	34.5 Å²	34.5	16%	0.158	17%	0.166	C	C	.	.	H	α-helix	trans	-59.7	-44.5	169.1	178.8	169.9	52.1	-114.1	3.2	111.2	P607 A608 L615 W892 S894 L902	P607-R611 WeakPolarHBondContact O-CB 3.47Å; P607-R611 PolarHBondContact O-N 2.91Å; A608-R611 PolarHBondContact O-N 3.48Å; R611-L615 HydrophobicContact CG-CD1 4.26Å; R611-L615 WeakPolarHBondContact O-CB 3.46Å; R611-L615 PolarHBondContact O-N 3.27Å; R611-W892 PolarHBondContact NH1-O 2.81Å; R611-S894 PolarHBondContact NH1-O 3.17Å; R611-L902 HydrophobicContact CG-CD2 4.37Å
612	L	95.6	Very high	94.8	Very high	6 Å²	6	33.6 Å²	33.6	3%	0.031	16%	0.163	C	C	.	.	I	π-helix	trans	-65.6	-49.1	179.9	-176.3	58.4	0	0	0	112.1	L581 N582 F585 A608 I609 K610 Q616 I617	L581-L612 HydrophobicContact CB-CD2 4Å; N582-L612 WeakPolarHBondContact OD1-CD1 3.44Å; F585-L612 HydrophobicContact CB-CD2 3.82Å; F585-L612 HydrophobicContact CB-CG 4.31Å; F585-L612 HydrophobicContact CD1-CD2 3.86Å; F585-L612 HydrophobicContact CD1-CG 3.94Å; F585-L612 HydrophobicContact CD2-CD2 3.72Å; F585-L612 HydrophobicContact CE1-CD2 4.4Å; F585-L612 HydrophobicContact CE1-CG 4.48Å; F585-L612 HydrophobicContact CE2-CD2 4.27Å; F585-L612 HydrophobicContact CG-CD2 3.5Å; F585-L612 VanDerWaalsContact CG-CD2 3.5Å; F585-L612 HydrophobicContact CG-CG 4.06Å; A608-L612 VanDerWaalsContact O-CB 3.31Å; A608-L612 WeakPolarHBondContact O-CB 3.27Å; A608-L612 PolarHBondContact O-N 2.91Å; I609-L612 PolarHBondContact O-N 2.74Å; K610-L612 VanDerWaalsContact C-N 3.31Å; K610-L612 PolarHBondContact O-N 3Å; L612-Q616 HydrophobicContact CD1-CB 4.16Å; L612-Q616 PolarHBondContact O-N 2.82Å; L612-I617 HydrophobicContact CD1-CD1 3.41Å; L612-I617 VanDerWaalsContact CD1-CD1 3.41Å; L612-I617 HydrophobicContact CD1-CG1 3.81Å; L612-I617 HydrophobicContact CD2-CD1 4.19Å; L612-I617 HydrophobicContact CG-CD1 3.76Å; L612-I617 HydrophobicContact CG-CG1 4.34Å; L612-I617 PolarHBondContact O-N 3.15Å
613	S	96.1	Very high	95	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.155	C	C	.	.	I	π-helix	trans	-65.8	-46	-179.7	60.7	0	0	0	0	113.1	I609 K610 G618 I619 T621	I609-S613 PolarHBondContact O-N 3.05Å; I609-S613 PolarHBondContact O-OG 2.79Å; K610-S613 PolarHBondContact O-OG 2.99Å; S613-G618 WeakPolarHBondContact O-CA 3.41Å; S613-G618 PolarHBondContact O-N 2.67Å; S613-I619 WeakPolarHBondContact CB-O 3.34Å; S613-T621 VanDerWaalsContact CB-CG2 3.5Å; S613-T621 PolarHBondContact OG-OG1 3.22Å
614	D	96.6	Very high	95.6	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.132	C	C	.	.	I	π-helix	trans	-87.1	-27.7	-164.8	-52.8	-15.1	0	0	0	112.1	K610 R888 W892 H911 F919	K610-D614 WeakPolarHBondContact O-CB 3.42Å; K610-D614 PolarHBondContact O-N 2.86Å; D614-R888 VanDerWaalsContact OD2-CD 3.23Å; D614-R888 WeakPolarHBondContact OD2-CD 3.33Å; D614-R888 IonicContact OD2-NE 3.59Å; D614-W892 HydrophobicContact CB-CZ2 3.49Å; D614-W892 VanDerWaalsContact CB-CZ2 3.49Å; D614-W892 WeakPolarHBondContact OD2-CZ2 3.1Å; D614-W892 PolarHBondContact OD2-NE1 2.94Å; D614-H911 WeakPolarHBondContact O-CB 3.34Å; D614-H911 PolarHBondContact O-N 2.89Å; D614-F919 HydrophobicContact CB-CD2 4.24Å
615	L	95.6	Very high	95.9	Very high	19 Å²	19	24.4 Å²	24.4	10%	0.099	12%	0.117	C	C	.	.	I	π-helix	trans	-112	-27.5	-172.9	-50.3	-174.7	0	0	0	114.3	R611 W892 L902 V910	R611-L615 HydrophobicContact CG-CD1 4.26Å; R611-L615 WeakPolarHBondContact O-CB 3.46Å; R611-L615 PolarHBondContact O-N 3.27Å; L615-W892 HydrophobicContact CD1-CB 4.13Å; L615-W892 HydrophobicContact CD1-CD2 3.98Å; L615-W892 HydrophobicContact CD1-CE3 4.17Å; L615-W892 HydrophobicContact CD1-CG 4Å; L615-W892 HydrophobicContact CD2-CD2 3.95Å; L615-W892 HydrophobicContact CD2-CE3 3.87Å; L615-W892 HydrophobicContact CD2-CH2 3.88Å; L615-W892 HydrophobicContact CD2-CZ2 3.93Å; L615-W892 HydrophobicContact CD2-CZ3 3.86Å; L615-W892 HydrophobicContact CG-CD2 4.12Å; L615-W892 HydrophobicContact CG-CE3 4.44Å; L615-W892 HydrophobicContact CG-CG 4.39Å; L615-L902 HydrophobicContact CD1-CB 4.22Å; L615-L902 HydrophobicContact CD1-CD1 4.24Å; L615-L902 HydrophobicContact CD1-CD2 4.03Å; L615-L902 HydrophobicContact CD1-CG 4.39Å; L615-V910 HydrophobicContact CD2-CG2 4.13Å
616	Q	94.3	Very high	96	Very high	104 Å²	104	24.9 Å²	24.9	49%	0.486	12%	0.12	S	C	.	.	I	π-helix	trans	-114.3	-56.4	-168.9	-62.3	179.5	12.1	0	0	113.4	L612 H911	L612-Q616 HydrophobicContact CD1-CB 4.16Å; L612-Q616 PolarHBondContact O-N 2.82Å; Q616-H911 PolarHBondContact O-CD2 2.78Å
617	I	94.4	Very high	95.9	Very high	27 Å²	27	28.9 Å²	28.9	14%	0.138	14%	0.135	C	C	.	.	I	π-helix	trans	-96.4	-31	-171.5	-66.4	177.7	0	0	0	112.1	F585 D586 L612 I619	F585-I617 HydrophobicContact CB-CD1 3.27Å; F585-I617 HydrophobicContact CB-CG2 4.49Å; F585-I617 HydrophobicContact CD1-CD1 4.44Å; F585-I617 HydrophobicContact CG-CD1 4.27Å; D586-I617 VanDerWaalsContact OD1-CD1 3.24Å; D586-I617 WeakPolarHBondContact OD1-CD1 3.46Å; L612-I617 HydrophobicContact CD1-CD1 3.41Å; L612-I617 VanDerWaalsContact CD1-CD1 3.41Å; L612-I617 HydrophobicContact CD1-CG1 3.81Å; L612-I617 HydrophobicContact CD2-CD1 4.19Å; L612-I617 HydrophobicContact CG-CD1 3.76Å; L612-I617 HydrophobicContact CG-CG1 4.34Å; L612-I617 PolarHBondContact O-N 3.15Å; I617-I619 VanDerWaalsContact C-N 3.33Å; I617-I619 HydrophobicContact CG2-CB 4.32Å; I617-I619 HydrophobicContact CG2-CG2 4.08Å; I617-I619 PolarHBondContact O-N 3.39Å
618	G	93.3	Very high	96	Very high	11 Å²	11	30.4 Å²	30.4	11%	0.113	14%	0.144	C	C	.	.			trans	76.6	14.7	176	0	0	0	0	0	115.4	S613 H911 S913 Q914	S613-G618 WeakPolarHBondContact O-CA 3.41Å; S613-G618 PolarHBondContact O-N 2.67Å; G618-H911 WeakPolarHBondContact CA-ND1 3.49Å; G618-S913 WeakPolarHBondContact CA-OG 3.37Å; G618-S913 PolarHBondContact O-OG 3.42Å; G618-Q914 PolarHBondContact O-NE2 3.49Å
619	I	94.6	Very high	96.1	Very high	9 Å²	9	29.6 Å²	29.6	5%	0.046	14%	0.137	C	C	.	.			trans	-83.4	137.7	171.7	-164.8	155.1	0	0	0	111.3	F585 C593 L596 S613 I617 T621	F585-I619 HydrophobicContact CD1-CG2 3.56Å; F585-I619 HydrophobicContact CE1-CG2 3.9Å; C593-I619 HydrophobicContact CB-CD1 3.86Å; C593-I619 WeakPolarHBondContact O-CD1 3.21Å; L596-I619 HydrophobicContact CD1-CD1 3.11Å; L596-I619 HydrophobicContact CD1-CG1 3.62Å; L596-I619 HydrophobicContact CD1-CG2 4.15Å; S613-I619 WeakPolarHBondContact CB-O 3.34Å; I617-I619 VanDerWaalsContact C-N 3.33Å; I617-I619 HydrophobicContact CG2-CB 4.32Å; I617-I619 HydrophobicContact CG2-CG2 4.08Å; I617-I619 PolarHBondContact O-N 3.39Å; I619-T621 HydrophobicContact CG2-CG2 4.49Å
620	R	96.2	Very high	96	Very high	29 Å²	29	34.5 Å²	34.5	11%	0.109	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	139.4	-179.4	-57.5	-63.9	175.4	165.1	15.8	110.5	F595 L596 K645 L646 S913 Q914 D916 G917	F595-R620 CarbonylContact C-O 3.6Å; F595-R620 WeakPolarHBondContact CA-O 3.47Å; F595-R620 HydrophobicContact CB-CB 3.93Å; F595-R620 WeakPolarHBondContact CB-O 3.46Å; L596-R620 PolarHBondContact N-O 2.92Å; R620-K645 WeakPolarHBondContact CD-O 3.22Å; R620-K645 PolarHBondContact NE-O 2.93Å; R620-L646 HydrophobicContact CB-CD2 4.23Å; R620-L646 HydrophobicContact CG-CD2 4.09Å; R620-S913 PolarHBondContact NH2-O 3.41Å; R620-Q914 VanDerWaalsContact CD-NE2 3.34Å; R620-Q914 VanDerWaalsContact NH1-CA 3.32Å; R620-Q914 PolarHBondContact NH1-O 3.44Å; R620-D916 IonicContact NH2-OD1 2.66Å; R620-G917 PolarHBondContact NH1-O 2.85Å; R620-G917 VanDerWaalsContact NH2-CA 3.29Å
621	T	97.2	Very high	95.9	Very high	6 Å²	6	39.7 Å²	39.7	4%	0.037	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	137.8	-177.3	57.6	0	0	0	0	114	F585 L596 L598 K610 S613 I619 K645	F585-T621 HydrophobicContact CE1-CG2 3.62Å; F585-T621 HydrophobicContact CZ-CG2 3.93Å; L596-T621 HydrophobicContact CB-CG2 4.3Å; L596-T621 WeakPolarHBondContact O-CA 3.42Å; L598-T621 HydrophobicContact CD1-CG2 3.74Å; K610-T621 PolarHBondContact NZ-O 3.34Å; K610-T621 VanDerWaalsContact NZ-O 3.1Å; K610-T621 PolarHBondContact NZ-OG1 2.98Å; S613-T621 VanDerWaalsContact CB-CG2 3.5Å; S613-T621 PolarHBondContact OG-OG1 3.22Å; I619-T621 HydrophobicContact CG2-CG2 4.49Å; T621-K645 PolarHBondContact O-NZ 2.8Å
622	Q	97.3	Very high	95.8	Very high	11 Å²	11	40.5 Å²	40.5	5%	0.051	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	105.6	170.7	-178.1	54.7	58.3	0	0	110.6	L596 L597 L598 L638 I642	L596-Q622 PolarHBondContact O-N 2.85Å; L597-Q622 CarbonylContact C-O 3.56Å; L597-Q622 WeakPolarHBondContact CA-O 3.24Å; L597-Q622 HydrophobicContact CD1-CB 4.06Å; L597-Q622 HydrophobicContact CD1-CG 3.9Å; L597-Q622 WeakPolarHBondContact CD1-O 3.36Å; L598-Q622 PolarHBondContact N-O 2.85Å; Q622-L638 VanDerWaalsContact CD-CD1 3.47Å; Q622-L638 HydrophobicContact CG-CD1 3.4Å; Q622-L638 HydrophobicContact CG-CD2 4.36Å; Q622-L638 HydrophobicContact CG-CG 3.91Å; Q622-I642 HydrophobicContact CB-CD1 4.39Å; Q622-I642 HydrophobicContact CB-CG1 3.94Å; Q622-I642 HydrophobicContact CG-CD1 4.11Å; Q622-I642 HydrophobicContact CG-CG1 3.79Å
623	C	97.8	Very high	95.5	Very high	19 Å²	19	44.2 Å²	44.2	13%	0.128	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	140.6	175.3	-58.3	0	0	0	0	111.2	L598 L600 Y606	L598-C623 CarbonylContact O-C 3.56Å; L598-C623 WeakPolarHBondContact O-CA 3.23Å; L600-C623 HydrophobicContact CD1-CB 3.8Å; L600-C623 HydrophobicContact CG-CB 4.24Å; Y606-C623 HydrophobicContact CD2-CB 4.12Å; Y606-C623 HydrophobicContact CE2-CB 4.27Å
624	V	97.7	Very high	95.4	Very high	11 Å²	11	45 Å²	45	7%	0.067	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	128.3	173.6	-174.5	0	0	0	0	108.4	L597 L598 I599 L600 T628 L629 L638	L597-V624 HydrophobicContact CD1-CG2 3.95Å; L598-V624 PolarHBondContact O-N 2.91Å; I599-V624 WeakPolarHBondContact CA-O 3.39Å; L600-V624 PolarHBondContact N-O 3.15Å; V624-T628 HydrophobicContact CG1-CG2 4.1Å; V624-L629 HydrophobicContact CG1-CD2 3.82Å; V624-L629 HydrophobicContact CG1-CG 3.82Å; V624-L638 HydrophobicContact CG2-CD1 3.62Å; V624-L638 HydrophobicContact CG2-CD2 3.76Å; V624-L638 HydrophobicContact CG2-CG 4.36Å
625	R	96.6	Very high	95.4	Very high	100 Å²	100	45.1 Å²	45.1	38%	0.377	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	138.2	172.3	-63.3	-178.4	-177.6	-153.6	-4.2	109.2	E603 R627 T628	E603-R625 IonicContact OE1-CZ 3.3Å; E603-R625 IonicContact OE1-NH1 3.71Å; E603-R625 PolarHBondContact OE1-NH1 3.01Å; E603-R625 IonicContact OE1-NH2 3.98Å; E603-R625 PolarHBondContact OE1-NH2 2.96Å; R625-R627 VanDerWaalsContact C-N 3.29Å; R625-R627 HydrophobicContact CB-CG 4.18Å; R625-R627 PolarHBondContact O-N 2.7Å; R625-T628 WeakPolarHBondContact O-CA 3.34Å; R625-T628 VanDerWaalsContact O-CB 3.23Å; R625-T628 WeakPolarHBondContact O-CB 3.28Å; R625-T628 PolarHBondContact O-N 2.69Å
626	S	96.5	Very high	95.4	Very high	11 Å²	11	46.8 Å²	46.8	8%	0.077	23%	0.233	C	C	.	.	H	α-helix	trans	-46.1	-50.5	178.4	56.5	0	0	0	0	112.9	L600 T628 L629 D630	L600-S626 PolarHBondContact O-N 3.1Å; S626-T628 PolarHBondContact O-N 3.2Å; S626-L629 WeakPolarHBondContact O-CA 3.31Å; S626-L629 WeakPolarHBondContact O-CB 3.48Å; S626-L629 PolarHBondContact O-N 2.94Å; S626-D630 PolarHBondContact O-N 2.91Å
627	R	94.9	Very high	95.4	Very high	157 Å²	157	45.1 Å²	45.1	59%	0.592	23%	0.227	S	C	*	.	H	α-helix	trans	-56.4	-22.2	176.4	71.5	-179.3	-174.2	-176.6	0.4	115.8	R625 D630	R625-R627 VanDerWaalsContact C-N 3.29Å; R625-R627 HydrophobicContact CB-CG 4.18Å; R625-R627 PolarHBondContact O-N 2.7Å; R627-D630 WeakPolarHBondContact CA-OD2 3.18Å
628	T	96.3	Very high	95.4	Very high	53 Å²	53	44.6 Å²	44.6	33%	0.325	23%	0.225	S	C	.	.	H	α-helix	trans	-74.7	-38.2	175	-59.9	0	0	0	0	109.7	V624 R625 S626 D630 K631 V634	V624-T628 HydrophobicContact CG1-CG2 4.1Å; R625-T628 WeakPolarHBondContact O-CA 3.34Å; R625-T628 VanDerWaalsContact O-CB 3.23Å; R625-T628 WeakPolarHBondContact O-CB 3.28Å; R625-T628 PolarHBondContact O-N 2.69Å; S626-T628 PolarHBondContact O-N 3.2Å; T628-D630 PolarHBondContact O-N 2.83Å; T628-K631 WeakPolarHBondContact O-CB 3.34Å; T628-K631 PolarHBondContact O-N 3.28Å; T628-K631 VanDerWaalsContact O-N 3.08Å; T628-V634 HydrophobicContact CG2-CG1 4.34Å; T628-V634 WeakPolarHBondContact O-CG1 3.16Å
629	L	97.2	Very high	95.6	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-67.6	-20.9	177.5	-63.2	175.6	0	0	0	112.7	H548 K551 V552 I599 V624 S626 K631 V634 F635	H548-L629 HydrophobicContact CB-CD1 3.83Å; K551-L629 PolarHBondContact NZ-O 3.44Å; V552-L629 HydrophobicContact CG2-CD1 4.18Å; V552-L629 HydrophobicContact CG2-CD2 4.16Å; I599-L629 HydrophobicContact CD1-CD1 3.86Å; I599-L629 HydrophobicContact CG1-CD1 4.05Å; I599-L629 HydrophobicContact CG2-CD1 3.8Å; V624-L629 HydrophobicContact CG1-CD2 3.82Å; V624-L629 HydrophobicContact CG1-CG 3.82Å; S626-L629 WeakPolarHBondContact O-CA 3.31Å; S626-L629 WeakPolarHBondContact O-CB 3.48Å; S626-L629 PolarHBondContact O-N 2.94Å; L629-K631 PolarHBondContact O-N 2.88Å; L629-V634 HydrophobicContact CD2-CG2 4.18Å; L629-F635 HydrophobicContact CD2-CE1 4.23Å; L629-F635 HydrophobicContact CD2-CZ 4.23Å
630	D	95.8	Very high	95.7	Very high	103 Å²	103	44 Å²	44	55%	0.551	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-18.4	171.8	-61.9	-33.7	0	0	0	112.7	H548 S626 R627 T628	H548-D630 IonicContact NE2-OD1 3.7Å; H548-D630 PolarHBondContact NE2-OD1 3.48Å; S626-D630 PolarHBondContact O-N 2.91Å; R627-D630 WeakPolarHBondContact CA-OD2 3.18Å; T628-D630 PolarHBondContact O-N 2.83Å
631	K	95.3	Very high	95.7	Very high	113 Å²	113	45.1 Å²	45.1	49%	0.491	23%	0.225	S	C	.	.	S	Bend	trans	-80.5	152.2	178.7	-59.1	-176	-179.7	-175.8	0	111.6	K551 T628 L629 V634	K551-K631 PolarHBondContact NZ-O 2.92Å; T628-K631 WeakPolarHBondContact O-CB 3.34Å; T628-K631 PolarHBondContact O-N 3.28Å; T628-K631 VanDerWaalsContact O-N 3.08Å; L629-K631 PolarHBondContact O-N 2.88Å; K631-V634 HydrophobicContact CB-CG1 3.91Å; K631-V634 VanDerWaalsContact O-CG1 3.32Å; K631-V634 WeakPolarHBondContact O-CG1 3.48Å
632	P	92.4	Very high	95.7	Very high	59 Å²	59	45 Å²	45	38%	0.383	22%	0.224	S	C	.	.	S	Bend	trans	-72.3	155.5	171.3	31.1	-35.8	0	0	0	111.5	G39 V634	G39-P632 WeakPolarHBondContact O-CG 3.47Å; P632-V634 PolarHBondContact O-N 3.36Å
633	N	88.9	Confident	95.7	Very high	84 Å²	84	44.5 Å²	44.5	45%	0.449	22%	0.222	S	C	.	.	S	Bend	trans	53.9	44.8	167.6	-161.5	21.1	0	0	0	115.3	P636	N633-P636 WeakPolarHBondContact OD1-CD 3.31Å; N633-P636 VanDerWaalsContact OD1-CG 3.28Å; N633-P636 WeakPolarHBondContact OD1-CG 3.08Å
634	V	95	Very high	95.6	Very high	17 Å²	17	43.6 Å²	43.6	10%	0.103	22%	0.216	C	C	.	.			trans	-82	-29.6	-175.1	-64.1	0	0	0	0	113.1	T628 L629 K631 P632 L638	T628-V634 HydrophobicContact CG2-CG1 4.34Å; T628-V634 WeakPolarHBondContact O-CG1 3.16Å; L629-V634 HydrophobicContact CD2-CG2 4.18Å; K631-V634 HydrophobicContact CB-CG1 3.91Å; K631-V634 VanDerWaalsContact O-CG1 3.32Å; K631-V634 WeakPolarHBondContact O-CG1 3.48Å; P632-V634 PolarHBondContact O-N 3.36Å; V634-L638 PolarHBondContact O-N 3.17Å
635	F	96.7	Very high	95.5	Very high	3 Å²	3	43.4 Å²	43.4	1%	0.013	21%	0.214	C	C	.	.	H	α-helix	trans	-71.9	-38.6	-167.6	-60.8	-64.9	0	0	0	114.9	K551 V552 E555 L556 A559 L629 N637 L638 L639	K551-F635 HydrophobicContact CG-CE2 4.16Å; K551-F635 HydrophobicContact CG-CZ 4.24Å; V552-F635 HydrophobicContact CB-CZ 4.45Å; V552-F635 HydrophobicContact CG2-CE1 4Å; V552-F635 HydrophobicContact CG2-CZ 4Å; E555-F635 HydrophobicContact CB-CD2 3.47Å; E555-F635 VanDerWaalsContact CB-CD2 3.47Å; E555-F635 HydrophobicContact CB-CE2 3.29Å; E555-F635 HydrophobicContact CB-CZ 4.25Å; E555-F635 HydrophobicContact CG-CE2 4.17Å; E555-F635 VanDerWaalsContact OE2-CE2 3.27Å; E555-F635 WeakPolarHBondContact OE2-CE2 3.34Å; L556-F635 HydrophobicContact CB-CD1 3.73Å; L556-F635 HydrophobicContact CB-CE1 3.92Å; L556-F635 HydrophobicContact CB-CG 4.19Å; L556-F635 HydrophobicContact CD1-CB 4.15Å; L556-F635 HydrophobicContact CD1-CD1 3.79Å; L556-F635 HydrophobicContact CD1-CG 4.29Å; L556-F635 HydrophobicContact CG-CD1 4.24Å; A559-F635 HydrophobicContact CB-CB 3.81Å; L629-F635 HydrophobicContact CD2-CE1 4.23Å; L629-F635 HydrophobicContact CD2-CZ 4.23Å; F635-N637 VanDerWaalsContact C-N 3.31Å; F635-N637 PolarHBondContact O-N 2.6Å; F635-L638 HydrophobicContact CD1-CD2 4.23Å; F635-L638 WeakPolarHBondContact O-CB 3.35Å; F635-L638 PolarHBondContact O-N 3.18Å; F635-L639 WeakPolarHBondContact O-CB 3.37Å; F635-L639 VanDerWaalsContact O-CG 3.29Å; F635-L639 WeakPolarHBondContact O-CG 3.25Å; F635-L639 PolarHBondContact O-N 3.09Å
636	P	94.4	Very high	95.4	Very high	53 Å²	53	40.6 Å²	40.6	34%	0.344	21%	0.206	S	C	.	.	H	α-helix	trans	-57.3	-42.5	175.4	-28.7	38.1	0	0	0	113.1	N633 L638 L639 L640	N633-P636 WeakPolarHBondContact OD1-CD 3.31Å; N633-P636 VanDerWaalsContact OD1-CG 3.28Å; N633-P636 WeakPolarHBondContact OD1-CG 3.08Å; P636-L638 VanDerWaalsContact C-N 3.31Å; P636-L638 PolarHBondContact O-N 2.99Å; P636-L639 PolarHBondContact O-N 3.4Å; P636-L640 PolarHBondContact O-N 2.94Å
637	N	93.8	Very high	95.3	Very high	69 Å²	69	40.4 Å²	40.4	37%	0.369	21%	0.206	S	C	.	.	H	α-helix	trans	-69.6	-29.5	176.4	-70.2	-51.2	0	0	0	112.9	F635	F635-N637 VanDerWaalsContact C-N 3.31Å; F635-N637 PolarHBondContact O-N 2.6Å
638	L	96.1	Very high	95.2	Very high	17 Å²	17	33 Å²	33	9%	0.089	18%	0.178	C	C	.	.	H	α-helix	trans	-72.2	-41.9	176.3	-168	64.1	0	0	0	111.2	L597 Q622 V624 V634 F635 P636 L640 K641 I642	L597-L638 HydrophobicContact CD1-CD2 3.74Å; Q622-L638 VanDerWaalsContact CD-CD1 3.47Å; Q622-L638 HydrophobicContact CG-CD1 3.4Å; Q622-L638 HydrophobicContact CG-CD2 4.36Å; Q622-L638 HydrophobicContact CG-CG 3.91Å; V624-L638 HydrophobicContact CG2-CD1 3.62Å; V624-L638 HydrophobicContact CG2-CD2 3.76Å; V624-L638 HydrophobicContact CG2-CG 4.36Å; V634-L638 PolarHBondContact O-N 3.17Å; F635-L638 HydrophobicContact CD1-CD2 4.23Å; F635-L638 WeakPolarHBondContact O-CB 3.35Å; F635-L638 PolarHBondContact O-N 3.18Å; P636-L638 VanDerWaalsContact C-N 3.31Å; P636-L638 PolarHBondContact O-N 2.99Å; L638-L640 VanDerWaalsContact C-N 3.28Å; L638-L640 PolarHBondContact O-N 3.01Å; L638-K641 PolarHBondContact O-N 2.85Å; L638-I642 HydrophobicContact CD2-CD1 4.19Å; L638-I642 HydrophobicContact CG-CD1 3.88Å; L638-I642 HydrophobicContact CG-CG1 4.45Å; L638-I642 PolarHBondContact O-N 2.89Å; L638-I642 VanDerWaalsContact O-N 3.08Å
639	L	97.2	Very high	95.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.6	-34.5	-179.8	-75.7	162.5	0	0	0	112.4	F522 L556 A559 A560 V563 I565 F635 P636 K641 I642 N643	F522-L639 HydrophobicContact CE2-CB 4.11Å; F522-L639 HydrophobicContact CZ-CB 3.92Å; L556-L639 HydrophobicContact CD1-CD1 4.27Å; L556-L639 HydrophobicContact CD1-CD2 3.78Å; L556-L639 HydrophobicContact CD1-CG 3.9Å; A559-L639 VanDerWaalsContact C-CD1 3.4Å; A559-L639 HydrophobicContact CB-CD1 3.66Å; A559-L639 WeakPolarHBondContact O-CD1 3.29Å; A560-L639 HydrophobicContact CB-CD1 4.3Å; A560-L639 HydrophobicContact CB-CD2 3.8Å; V563-L639 HydrophobicContact CG2-CD1 4.12Å; I565-L639 HydrophobicContact CD1-CD2 4.27Å; F635-L639 WeakPolarHBondContact O-CB 3.37Å; F635-L639 VanDerWaalsContact O-CG 3.29Å; F635-L639 WeakPolarHBondContact O-CG 3.25Å; F635-L639 PolarHBondContact O-N 3.09Å; P636-L639 PolarHBondContact O-N 3.4Å; L639-K641 PolarHBondContact O-N 2.88Å; L639-I642 PolarHBondContact O-N 3.18Å; L639-N643 VanDerWaalsContact O-CB 3.32Å; L639-N643 WeakPolarHBondContact O-CB 3.4Å; L639-N643 PolarHBondContact O-N 3.42Å
640	L	96.5	Very high	95.1	Very high	6 Å²	6	30.5 Å²	30.5	3%	0.031	16%	0.163	C	C	.	.	H	α-helix	trans	-52.1	-40.3	172.2	-71.7	176.7	0	0	0	112.8	F522 P636 L638 N650 W651 M867	F522-L640 HydrophobicContact CE1-CD2 3.65Å; F522-L640 HydrophobicContact CZ-CD2 4.15Å; P636-L640 PolarHBondContact O-N 2.94Å; L638-L640 VanDerWaalsContact C-N 3.28Å; L638-L640 PolarHBondContact O-N 3.01Å; L640-N650 HydrophobicContact CD2-CB 4.17Å; L640-N650 WeakPolarHBondContact CD2-ND2 3.31Å; L640-N650 PolarHBondContact O-ND2 3.19Å; L640-W651 HydrophobicContact CD2-CH2 4.27Å; L640-W651 HydrophobicContact CD2-CZ3 3.69Å; L640-M867 WeakPolarHBondContact CB-O 3.42Å
641	K	96.3	Very high	95.1	Very high	54 Å²	54	25.6 Å²	25.6	24%	0.235	14%	0.137	C	C	.	.	H	α-helix	trans	-80.5	-41.5	178.7	-58.8	177.5	-173.1	176.2	0	111.9	L638 L639 N643 K645 R868	L638-K641 PolarHBondContact O-N 2.85Å; L639-K641 PolarHBondContact O-N 2.88Å; K641-N643 VanDerWaalsContact C-N 3.32Å; K641-K645 WeakPolarHBondContact O-CB 3.31Å; K641-K645 VanDerWaalsContact O-CG 3.27Å; K641-K645 WeakPolarHBondContact O-CG 3.36Å; K641-K645 PolarHBondContact O-N 2.95Å; K641-R868 HydrophobicContact CG-CB 4.45Å; K641-R868 HydrophobicContact CG-CG 4.42Å
642	I	96.9	Very high	95.1	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.015	12%	0.119	C	C	.	.	H	α-helix	trans	-59.7	-46.8	179.2	-68.8	171	0	0	0	109.7	F595 Q622 L638 L639 G644 K645 L646	F595-I642 HydrophobicContact CE1-CG2 4.43Å; F595-I642 HydrophobicContact CE2-CD1 4.18Å; F595-I642 HydrophobicContact CE2-CG2 4.37Å; F595-I642 HydrophobicContact CZ-CG2 4.3Å; Q622-I642 HydrophobicContact CB-CD1 4.39Å; Q622-I642 HydrophobicContact CB-CG1 3.94Å; Q622-I642 HydrophobicContact CG-CD1 4.11Å; Q622-I642 HydrophobicContact CG-CG1 3.79Å; L638-I642 HydrophobicContact CD2-CD1 4.19Å; L638-I642 HydrophobicContact CG-CD1 3.88Å; L638-I642 HydrophobicContact CG-CG1 4.45Å; L638-I642 PolarHBondContact O-N 2.89Å; L638-I642 VanDerWaalsContact O-N 3.08Å; L639-I642 PolarHBondContact O-N 3.18Å; I642-G644 PolarHBondContact O-N 2.96Å; I642-K645 PolarHBondContact O-N 2.68Å; I642-L646 HydrophobicContact CG2-CD1 3.58Å; I642-L646 HydrophobicContact CG2-CG 4.45Å; I642-L646 WeakPolarHBondContact O-CB 3.37Å; I642-L646 WeakPolarHBondContact O-CG 3.41Å; I642-L646 PolarHBondContact O-N 2.84Å
643	N	96.6	Very high	95.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58	-52.7	-179.8	-164.4	46.6	0	0	0	111.8	F522 D524 A526 I565 L639 K641 K645 L646 G647 G648 V649 N650	F522-N643 HydrophobicContact CD2-CB 3.82Å; F522-N643 VanDerWaalsContact CD2-CG 3.45Å; F522-N643 WeakPolarHBondContact CD2-ND2 3.21Å; F522-N643 HydrophobicContact CE2-CB 3.64Å; F522-N643 HydrophobicContact CZ-CB 4.39Å; D524-N643 PolarHBondContact O-ND2 3.33Å; A526-N643 WeakPolarHBondContact CB-OD1 3.31Å; A526-N643 PolarHBondContact N-OD1 3.03Å; I565-N643 HydrophobicContact CD1-CB 3.95Å; L639-N643 VanDerWaalsContact O-CB 3.32Å; L639-N643 WeakPolarHBondContact O-CB 3.4Å; L639-N643 PolarHBondContact O-N 3.42Å; K641-N643 VanDerWaalsContact C-N 3.32Å; N643-K645 VanDerWaalsContact C-N 3.32Å; N643-K645 PolarHBondContact O-N 3.42Å; N643-L646 CarbonylContact O-C 3.6Å; N643-L646 PolarHBondContact O-N 3.22Å; N643-L646 VanDerWaalsContact O-N 3.11Å; N643-G647 PolarHBondContact O-N 2.86Å; N643-G648 PolarHBondContact O-N 3.06Å; N643-V649 PolarHBondContact ND2-N 3.36Å; N643-N650 VanDerWaalsContact CB-OD1 3.28Å; N643-N650 WeakPolarHBondContact CB-OD1 3.48Å; N643-N650 PolarHBondContact ND2-OD1 2.77Å
644	G	95.6	Very high	95.4	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.01	9%	0.092	C	C	.	.	H	α-helix	trans	-63.1	-33.3	178.9	0	0	0	0	0	114.1	I642 L646 G647 M867	I642-G644 PolarHBondContact O-N 2.96Å; G644-L646 VanDerWaalsContact C-N 3.3Å; G644-L646 PolarHBondContact O-N 3.03Å; G644-G647 PolarHBondContact O-N 3.4Å; G644-M867 VanDerWaalsContact CA-CE 3.49Å
645	K	96.1	Very high	95.3	Very high	7 Å²	7	17.7 Å²	17.7	3%	0.03	10%	0.097	C	C	.	.	H	α-helix	trans	-68.9	-29.9	174.9	-77.1	173.2	179.2	173	0	113.5	R620 T621 K641 I642 N643 G647 M918 L921	R620-K645 WeakPolarHBondContact CD-O 3.22Å; R620-K645 PolarHBondContact NE-O 2.93Å; T621-K645 PolarHBondContact O-NZ 2.8Å; K641-K645 WeakPolarHBondContact O-CB 3.31Å; K641-K645 VanDerWaalsContact O-CG 3.27Å; K641-K645 WeakPolarHBondContact O-CG 3.36Å; K641-K645 PolarHBondContact O-N 2.95Å; I642-K645 PolarHBondContact O-N 2.68Å; N643-K645 VanDerWaalsContact C-N 3.32Å; N643-K645 PolarHBondContact O-N 3.42Å; K645-G647 VanDerWaalsContact C-N 3.28Å; K645-M918 WeakPolarHBondContact CG-O 3.45Å; K645-L921 WeakPolarHBondContact CE-O 3.27Å; K645-L921 HydrophobicContact CG-CB 4.31Å; K645-L921 PolarHBondContact NZ-O 2.95Å
646	L	95.2	Very high	95.1	Very high	41 Å²	41	18.1 Å²	18.1	22%	0.215	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	7.8	178.6	-69.6	170.2	0	0	0	112.5	A526 L532 A594 F595 R620 I642 N643 G644	A526-L646 HydrophobicContact CB-CB 3.47Å; A526-L646 VanDerWaalsContact CB-CB 3.47Å; A526-L646 HydrophobicContact CB-CD1 3.9Å; A526-L646 HydrophobicContact CB-CG 4.35Å; L532-L646 HydrophobicContact CD1-CD1 3.91Å; A594-L646 HydrophobicContact CB-CD2 4.38Å; F595-L646 HydrophobicContact CB-CD2 4.22Å; F595-L646 HydrophobicContact CD1-CD1 3.88Å; F595-L646 HydrophobicContact CD1-CD2 4.44Å; F595-L646 HydrophobicContact CE1-CD1 4.34Å; F595-L646 HydrophobicContact CG-CD1 4.47Å; R620-L646 HydrophobicContact CB-CD2 4.23Å; R620-L646 HydrophobicContact CG-CD2 4.09Å; I642-L646 HydrophobicContact CG2-CD1 3.58Å; I642-L646 HydrophobicContact CG2-CG 4.45Å; I642-L646 WeakPolarHBondContact O-CB 3.37Å; I642-L646 WeakPolarHBondContact O-CG 3.41Å; I642-L646 PolarHBondContact O-N 2.84Å; N643-L646 CarbonylContact O-C 3.6Å; N643-L646 PolarHBondContact O-N 3.22Å; N643-L646 VanDerWaalsContact O-N 3.11Å; G644-L646 VanDerWaalsContact C-N 3.3Å; G644-L646 PolarHBondContact O-N 3.03Å
647	G	92.8	Very high	94.7	Very high	7 Å²	7	18.5 Å²	18.5	7%	0.072	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	0.1	177.1	0	0	0	0	0	115.2	N643 G644 K645 R697	N643-G647 PolarHBondContact O-N 2.86Å; G644-G647 PolarHBondContact O-N 3.4Å; K645-G647 VanDerWaalsContact C-N 3.28Å; G647-R697 VanDerWaalsContact O-CZ 3.3Å; G647-R697 PolarHBondContact O-NH1 3.16Å
648	G	94.8	Very high	93.9	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.01	11%	0.111	C	C	.	.			trans	-71.8	171	172.8	0	0	0	0	0	112.6	D524 N643 M867	D524-G648 CarbonylContact O-C 3.53Å; D524-G648 WeakPolarHBondContact O-CA 3.42Å; N643-G648 PolarHBondContact O-N 3.06Å; G648-M867 WeakPolarHBondContact O-CE 3.23Å
649	V	95.2	Very high	92.9	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.018	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-126.1	124.2	177.3	177.5	0	0	0	0	109.5	Y523 D524 N643 W651 Q652 M696 R697	Y523-V649 HydrophobicContact CD1-CB 4.3Å; Y523-V649 HydrophobicContact CD1-CG1 4.2Å; Y523-V649 PolarHBondContact N-O 2.84Å; D524-V649 HydrophobicContact CB-CB 4.01Å; D524-V649 PolarHBondContact N-O 3.17Å; D524-V649 PolarHBondContact O-N 2.75Å; N643-V649 PolarHBondContact ND2-N 3.36Å; V649-W651 WeakPolarHBondContact CG1-O 3.45Å; V649-Q652 HydrophobicContact CG1-CG 3.99Å; V649-M696 HydrophobicContact CG1-CB 3.83Å; V649-M696 HydrophobicContact CG1-CE 4.35Å; V649-M696 HydrophobicContact CG1-CG 3.8Å; V649-M696 HydrophobicContact CG2-CB 4.1Å; V649-R697 HydrophobicContact CG2-CG 4.21Å
650	N	95.3	Very high	91.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-73.5	-40.6	-175.8	-64	-23	0	0	0	111.7	F522 Y523 L640 N643 M867	F522-N650 CarbonylContact C-O 3.53Å; F522-N650 WeakPolarHBondContact CA-O 3.35Å; F522-N650 HydrophobicContact CD1-CB 3.96Å; F522-N650 HydrophobicContact CE1-CB 4.28Å; Y523-N650 PolarHBondContact N-O 3.08Å; L640-N650 HydrophobicContact CD2-CB 4.17Å; L640-N650 WeakPolarHBondContact CD2-ND2 3.31Å; L640-N650 PolarHBondContact O-ND2 3.19Å; N643-N650 VanDerWaalsContact CB-OD1 3.28Å; N643-N650 WeakPolarHBondContact CB-OD1 3.48Å; N643-N650 PolarHBondContact ND2-OD1 2.77Å; N650-M867 HydrophobicContact CB-CE 4.26Å; N650-M867 PolarHBondContact ND2-O 2.92Å
651	W	95.5	Very high	90.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.197	C	C	.	.			trans	-157.1	159.5	174.4	53.8	84.7	0	0	0	108.5	A503 F504 W517 L640 V649 M696 Y864 Y866 C869	A503-W651 VanDerWaalsContact O-CA 3.31Å; A503-W651 WeakPolarHBondContact O-CA 3.3Å; A503-W651 WeakPolarHBondContact O-CB 3.26Å; F504-W651 HydrophobicContact CD1-CB 3.77Å; F504-W651 HydrophobicContact CE1-CB 3.48Å; F504-W651 VanDerWaalsContact CE1-CB 3.48Å; F504-W651 HydrophobicContact CE1-CD2 4.21Å; F504-W651 AromaticContact CE1-CE3 3.95Å; F504-W651 HydrophobicContact CE1-CE3 3.95Å; F504-W651 HydrophobicContact CE1-CG 4.04Å; F504-W651 HydrophobicContact CG-CB 4.46Å; F504-W651 HydrophobicContact CZ-CB 3.89Å; F504-W651 HydrophobicContact CZ-CG 4.29Å; W517-W651 HydrophobicContact CH2-CZ2 4.43Å; W517-W651 HydrophobicContact CZ2-CD2 4.32Å; W517-W651 AromaticContact CZ2-CE2 3.58Å; W517-W651 HydrophobicContact CZ2-CH2 4.06Å; W517-W651 AromaticContact CZ2-CZ2 3.46Å; W517-W651 HydrophobicContact CZ2-CZ2 3.46Å; W517-W651 VanDerWaalsContact CZ2-CZ2 3.46Å; W517-W651 AromaticContact CZ2-NE1 3.8Å; W517-W651 AromaticContact NE1-CD2 3.96Å; W517-W651 AromaticContact NE1-CE3 3.96Å; L640-W651 HydrophobicContact CD2-CH2 4.27Å; L640-W651 HydrophobicContact CD2-CZ3 3.69Å; V649-W651 WeakPolarHBondContact CG1-O 3.45Å; W651-M696 WeakPolarHBondContact O-CE 3.34Å; W651-Y864 PolarHBondContact NE1-O 2.83Å; W651-Y866 WeakPolarHBondContact CZ2-O 3.39Å; W651-C869 WeakPolarHBondContact CH2-O 3.4Å
652	Q	94.7	Very high	90	Very high	25 Å²	25	37.4 Å²	37.4	12%	0.117	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-110.8	159	168.4	-76.8	-177.3	-18.4	0	0	110.2	A502 A503 Y523 V649 P654 D694 M696	A502-Q652 CarbonylContact C-O 3.58Å; A502-Q652 WeakPolarHBondContact CA-O 3.3Å; A502-Q652 WeakPolarHBondContact CB-O 3.39Å; A503-Q652 HydrophobicContact CB-CB 4.41Å; A503-Q652 PolarHBondContact N-O 3.05Å; A503-Q652 PolarHBondContact O-N 3.3Å; A503-Q652 VanDerWaalsContact O-N 3.12Å; Y523-Q652 HydrophobicContact CD1-CG 3.78Å; Y523-Q652 HydrophobicContact CD2-CB 4.45Å; Y523-Q652 HydrophobicContact CD2-CG 4.36Å; Y523-Q652 HydrophobicContact CE1-CG 3.79Å; Y523-Q652 VanDerWaalsContact CE1-NE2 3.27Å; Y523-Q652 HydrophobicContact CE2-CG 4.35Å; Y523-Q652 HydrophobicContact CG-CG 4.09Å; Y523-Q652 PolarHBondContact OH-OE1 3.45Å; V649-Q652 HydrophobicContact CG1-CG 3.99Å; Q652-P654 WeakPolarHBondContact O-CD 3.38Å; Q652-D694 HydrophobicContact CG-CB 4.31Å; Q652-D694 PolarHBondContact NE2-OD2 3.22Å; Q652-M696 HydrophobicContact CG-CG 4.1Å
653	I	95.1	Very high	89.8	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.202	C	C	.	.			trans	-112.6	89.6	173.3	-54.9	-59.2	0	0	0	108	P500 A502 L512 D655 L656 H861 T865	P500-I653 HydrophobicContact CB-CG2 3.64Å; P500-I653 HydrophobicContact CG-CD1 4.31Å; P500-I653 HydrophobicContact CG-CG2 4.07Å; A502-I653 HydrophobicContact CB-CD1 3.82Å; L512-I653 HydrophobicContact CD1-CD1 4.31Å; I653-D655 HydrophobicContact CG2-CB 4.28Å; I653-D655 PolarHBondContact O-N 2.83Å; I653-D655 VanDerWaalsContact O-N 3.09Å; I653-L656 HydrophobicContact CB-CD1 3.99Å; I653-L656 HydrophobicContact CB-CG 4.28Å; I653-L656 HydrophobicContact CG2-CD1 4.07Å; I653-L656 HydrophobicContact CG2-CG 3.92Å; I653-L656 PolarHBondContact O-N 3.34Å; I653-H861 HydrophobicContact CG2-CB 4.38Å; I653-T865 HydrophobicContact CG1-CG2 3.98Å
654	P	93.4	Very high	89.7	Confident	39 Å²	39	38.7 Å²	38.7	25%	0.253	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-56.3	-28.2	-177.9	-26.7	36	0	0	0	113.3	S501 A503 Q652 L656 I657 K658	S501-P654 WeakPolarHBondContact O-CD 3.39Å; A503-P654 HydrophobicContact CB-CG 4.06Å; Q652-P654 WeakPolarHBondContact O-CD 3.38Å; P654-L656 PolarHBondContact O-N 2.79Å; P654-L656 VanDerWaalsContact O-N 3.14Å; P654-I657 VanDerWaalsContact O-CG1 3.3Å; P654-I657 WeakPolarHBondContact O-CG1 3.46Å; P654-I657 PolarHBondContact O-N 2.91Å; P654-K658 PolarHBondContact O-N 2.84Å
655	D	92.6	Very high	89.8	Confident	41 Å²	41	38.6 Å²	38.6	22%	0.219	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-61.6	-20.4	178.6	-69.2	-81	0	0	0	114.6	P500 S501 I653 K658	P500-D655 HydrophobicContact CB-CB 4.33Å; S501-D655 WeakPolarHBondContact CB-OD2 2.92Å; S501-D655 PolarHBondContact N-OD2 2.8Å; I653-D655 HydrophobicContact CG2-CB 4.28Å; I653-D655 PolarHBondContact O-N 2.83Å; I653-D655 VanDerWaalsContact O-N 3.09Å; D655-K658 VanDerWaalsContact CA-CE 3.47Å; D655-K658 WeakPolarHBondContact OD1-CE 3.41Å; D655-K658 IonicContact OD1-NZ 3.53Å; D655-K658 PolarHBondContact OD1-NZ 3.15Å
656	L	93.5	Very high	89.9	Confident	13 Å²	13	38.3 Å²	38.3	7%	0.068	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-84.3	-14.7	175.9	-70.8	174.1	0	0	0	113.5	I653 P654 L695 F858 H861 L862 T865	I653-L656 HydrophobicContact CB-CD1 3.99Å; I653-L656 HydrophobicContact CB-CG 4.28Å; I653-L656 HydrophobicContact CG2-CD1 4.07Å; I653-L656 HydrophobicContact CG2-CG 3.92Å; I653-L656 PolarHBondContact O-N 3.34Å; P654-L656 PolarHBondContact O-N 2.79Å; P654-L656 VanDerWaalsContact O-N 3.14Å; L656-L695 HydrophobicContact CB-CD1 4.29Å; L656-L695 HydrophobicContact CD1-CD1 4.47Å; L656-F858 HydrophobicContact CD2-CD2 3.54Å; L656-F858 HydrophobicContact CD2-CE2 3.67Å; L656-F858 HydrophobicContact CD2-CG 4.12Å; L656-F858 HydrophobicContact CD2-CZ 4.35Å; L656-H861 HydrophobicContact CD1-CB 4.35Å; L656-H861 HydrophobicContact CD2-CB 3.54Å; L656-H861 HydrophobicContact CG-CB 3.88Å; L656-L862 HydrophobicContact CD1-CD2 3.91Å; L656-L862 HydrophobicContact CD1-CG 4.38Å; L656-L862 HydrophobicContact CD2-CG 4.36Å; L656-T865 HydrophobicContact CD1-CG2 3.52Å
657	I	86.3	Confident	90.1	Very high	61 Å²	61	36.3 Å²	36.3	31%	0.313	20%	0.195	S	C	.	.			trans	-126.9	26.6	-169.4	54.3	172	0	0	0	112.7	P654 N659 P693	P654-I657 VanDerWaalsContact O-CG1 3.3Å; P654-I657 WeakPolarHBondContact O-CG1 3.46Å; P654-I657 PolarHBondContact O-N 2.91Å; I657-N659 VanDerWaalsContact C-N 3.25Å; I657-N659 PolarHBondContact O-N 2.9Å; I657-P693 WeakPolarHBondContact CG2-O 3.4Å
658	K	76	Confident	90.3	Very high	146 Å²	146	36 Å²	36	64%	0.635	19%	0.191	S	C	*	.			trans	-59.6	-34	-175.3	-65	-171.9	-173.9	-174	0	113.4	P654 D655	P654-K658 PolarHBondContact O-N 2.84Å; D655-K658 VanDerWaalsContact CA-CE 3.47Å; D655-K658 WeakPolarHBondContact OD1-CE 3.41Å; D655-K658 IonicContact OD1-NZ 3.53Å; D655-K658 PolarHBondContact OD1-NZ 3.15Å
659	N	74.6	Confident	90.5	Very high	100 Å²	100	36 Å²	36	54%	0.535	19%	0.191	S	C	.	.			trans	-98	96.1	178.6	-64.1	-16.8	0	0	0	109.5	I657 D661 E662	I657-N659 VanDerWaalsContact C-N 3.25Å; I657-N659 PolarHBondContact O-N 2.9Å; N659-D661 PolarHBondContact O-N 3.01Å; N659-D661 VanDerWaalsContact O-N 3.13Å; N659-E662 HydrophobicContact CB-CB 4.14Å; N659-E662 HydrophobicContact CB-CG 4.22Å; N659-E662 PolarHBondContact ND2-OE2 3.36Å; N659-E662 PolarHBondContact O-N 3.14Å; N659-E662 VanDerWaalsContact O-N 3.14Å
660	S	67.2	Low	90.5	Very high	90 Å²	90	36.2 Å²	36.2	63%	0.629	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-21.7	-178.8	52.7	0	0	0	0	114.4
661	D	76	Confident	90.3	Very high	140 Å²	140	36.6 Å²	36.6	75%	0.749	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-17.6	-178.2	-58.5	-24.3	0	0	0	112.4	N659	N659-D661 PolarHBondContact O-N 3.01Å; N659-D661 VanDerWaalsContact O-N 3.13Å
662	E	85.8	Confident	89.9	Confident	66 Å²	66	37 Å²	37	31%	0.308	20%	0.197	S	C	.	.			trans	-97.7	108.5	177	-68.2	-171.8	128.9	0	0	110.8	N659 I664 R744	N659-E662 HydrophobicContact CB-CB 4.14Å; N659-E662 HydrophobicContact CB-CG 4.22Å; N659-E662 PolarHBondContact ND2-OE2 3.36Å; N659-E662 PolarHBondContact O-N 3.14Å; N659-E662 VanDerWaalsContact O-N 3.14Å; E662-I664 PolarHBondContact O-N 3.22Å; E662-R744 IonicContact OE1-CZ 2.81Å; E662-R744 IonicContact OE1-NE 2.76Å; E662-R744 IonicContact OE1-NH2 3.95Å; E662-R744 PolarHBondContact OE1-NH2 2.77Å; E662-R744 IonicContact OE2-NH2 2.76Å
663	L	93	Very high	89.4	Confident	10 Å²	10	37.9 Å²	37.9	5%	0.052	20%	0.201	C	C	.	.			trans	-86.1	105.8	175	-74.1	-175.3	0	0	0	110.7	P693 Y733 R740 P742 T743 R744	L663-P693 HydrophobicContact CD2-CB 4.05Å; L663-P693 HydrophobicContact CD2-CG 4.15Å; L663-Y733 WeakPolarHBondContact CB-OH 3.38Å; L663-R740 HydrophobicContact CD1-CB 3.4Å; L663-R740 HydrophobicContact CD1-CG 4.45Å; L663-P742 CarbonylContact O-C 3.55Å; L663-P742 WeakPolarHBondContact O-CA 3.49Å; L663-P742 WeakPolarHBondContact O-CB 3.49Å; L663-T743 PolarHBondContact N-OG1 3.19Å; L663-T743 PolarHBondContact O-N 2.61Å; L663-T743 PolarHBondContact O-OG1 3.08Å; L663-R744 PolarHBondContact O-N 3.42Å
664	I	95.4	Very high	88.3	Confident	20 Å²	20	39.1 Å²	39.1	10%	0.103	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	135.5	176	-54.8	177.7	0	0	0	109.5	E662 V666 L695 Y733 R744 I746 F858	E662-I664 PolarHBondContact O-N 3.22Å; I664-V666 HydrophobicContact CG2-CG2 4.03Å; I664-L695 WeakPolarHBondContact O-CD2 3.38Å; I664-Y733 PolarHBondContact O-OH 3.42Å; I664-R744 HydrophobicContact CG1-CB 4.39Å; I664-I746 HydrophobicContact CG2-CD1 3.82Å; I664-I746 HydrophobicContact CG2-CG1 4.33Å; I664-F858 HydrophobicContact CD1-CE2 4.07Å; I664-F858 HydrophobicContact CD1-CZ 4.5Å; I664-F858 HydrophobicContact CG2-CZ 4.12Å
665	M	97.4	Very high	86.7	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	126.7	168.4	-168.3	177	177.4	0	0	109.8	F667 S690 L729 L730 Y733 P742 R744 M745 I746	M665-F667 HydrophobicContact CB-CE2 4.07Å; M665-F667 HydrophobicContact CE-CE1 3.67Å; M665-F667 HydrophobicContact CE-CE2 4.01Å; M665-F667 HydrophobicContact CE-CZ 3.27Å; M665-F667 HydrophobicContact CG-CD2 4.36Å; M665-F667 HydrophobicContact CG-CE2 3.56Å; M665-F667 HydrophobicContact CG-CZ 3.84Å; M665-F667 HydrophobicContact SD-CE1 4.38Å; M665-F667 HydrophobicContact SD-CE2 3.71Å; M665-F667 HydrophobicContact SD-CZ 3.4Å; M665-F667 WeakPolarHBondContact SD-CZ 3.3Å; M665-S690 WeakPolarHBondContact CA-OG 3.44Å; M665-S690 WeakPolarHBondContact CE-O 3.5Å; M665-L729 HydrophobicContact CE-CB 4Å; M665-L729 WeakPolarHBondContact CE-O 3.46Å; M665-L730 HydrophobicContact SD-CD1 4.18Å; M665-Y733 HydrophobicContact CB-CD2 4.43Å; M665-Y733 HydrophobicContact CB-CE2 4.22Å; M665-Y733 HydrophobicContact CE-CG 4.41Å; M665-Y733 HydrophobicContact CG-CD2 3.99Å; M665-Y733 HydrophobicContact CG-CE2 4.22Å; M665-Y733 HydrophobicContact CG-CG 4.35Å; M665-Y733 HydrophobicContact SD-CD1 4.37Å; M665-Y733 HydrophobicContact SD-CD2 4.05Å; M665-Y733 HydrophobicContact SD-CG 3.83Å; M665-P742 HydrophobicContact CB-CB 3.88Å; M665-P742 HydrophobicContact CB-CG 4.23Å; M665-P742 HydrophobicContact SD-CG 4.5Å; M665-R744 PolarHBondContact N-O 2.95Å; M665-M745 HydrophobicContact CB-CG 4.45Å; M665-M745 WeakPolarHBondContact O-CA 3.44Å; M665-I746 PolarHBondContact O-N 2.79Å
666	V	98.3	Very high	84.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132.9	-177.3	-178.9	0	0	0	0	110.2	I664 G689 S690 L695 I746 Y748 F858 L862 P878	I664-V666 HydrophobicContact CG2-CG2 4.03Å; V666-G689 CarbonylContact O-C 3.55Å; V666-G689 WeakPolarHBondContact O-CA 3.36Å; V666-S690 PolarHBondContact N-OG 3.37Å; V666-S690 PolarHBondContact O-N 3.38Å; V666-L695 HydrophobicContact CB-CD2 4.49Å; V666-L695 HydrophobicContact CG2-CD1 3.93Å; V666-L695 HydrophobicContact CG2-CD2 3.95Å; V666-I746 CarbonylContact C-O 3.56Å; V666-I746 WeakPolarHBondContact CA-O 3.14Å; V666-Y748 HydrophobicContact CG1-CD2 3.97Å; V666-Y748 HydrophobicContact CG1-CE2 3.99Å; V666-F858 HydrophobicContact CG2-CE1 4.05Å; V666-F858 HydrophobicContact CG2-CZ 3.85Å; V666-L862 HydrophobicContact CG1-CD1 3.97Å; V666-L862 HydrophobicContact CG2-CD1 4.41Å; V666-P878 HydrophobicContact CG1-CB 4.31Å; V666-P878 HydrophobicContact CG1-CG 3.58Å
667	F	98.6	Very high	82.6	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	146.6	-179	-64.5	-101.1	0	0	0	111.8	M665 V687 L688 L729 M745 I746 F747 Y748	M665-F667 HydrophobicContact CB-CE2 4.07Å; M665-F667 HydrophobicContact CE-CE1 3.67Å; M665-F667 HydrophobicContact CE-CE2 4.01Å; M665-F667 HydrophobicContact CE-CZ 3.27Å; M665-F667 HydrophobicContact CG-CD2 4.36Å; M665-F667 HydrophobicContact CG-CE2 3.56Å; M665-F667 HydrophobicContact CG-CZ 3.84Å; M665-F667 HydrophobicContact SD-CE1 4.38Å; M665-F667 HydrophobicContact SD-CE2 3.71Å; M665-F667 HydrophobicContact SD-CZ 3.4Å; M665-F667 WeakPolarHBondContact SD-CZ 3.3Å; F667-V687 HydrophobicContact CD1-CG1 4.38Å; F667-L688 CarbonylContact C-O 3.55Å; F667-L688 WeakPolarHBondContact CA-O 3.23Å; F667-L688 WeakPolarHBondContact CB-O 3.42Å; F667-L688 VanDerWaalsContact CD1-O 3.23Å; F667-L688 WeakPolarHBondContact CD1-O 3.24Å; F667-L729 HydrophobicContact CD1-CD1 4.1Å; F667-L729 HydrophobicContact CE1-CB 4.11Å; F667-L729 HydrophobicContact CE1-CD1 3.92Å; F667-M745 HydrophobicContact CD2-CE 4.39Å; F667-M745 HydrophobicContact CE1-CE 4.42Å; F667-M745 HydrophobicContact CE2-CB 4.19Å; F667-M745 HydrophobicContact CE2-CE 3.31Å; F667-M745 HydrophobicContact CE2-CG 4.2Å; F667-M745 HydrophobicContact CZ-CE 3.32Å; F667-I746 PolarHBondContact N-O 3.16Å; F667-F747 HydrophobicContact CB-CB 4.43Å; F667-F747 HydrophobicContact CB-CD1 3.42Å; F667-F747 VanDerWaalsContact CB-CD1 3.42Å; F667-F747 HydrophobicContact CB-CD2 4.4Å; F667-F747 HydrophobicContact CB-CE1 3.61Å; F667-F747 HydrophobicContact CB-CG 3.84Å; F667-F747 HydrophobicContact CB-CZ 4.19Å; F667-F747 HydrophobicContact CD1-CD1 4.34Å; F667-F747 AromaticContact CD1-CE1 3.63Å; F667-F747 HydrophobicContact CD1-CE1 3.63Å; F667-F747 AromaticContact CD1-CZ 3.84Å; F667-F747 HydrophobicContact CD1-CZ 3.84Å; F667-F747 HydrophobicContact CD2-CD1 4.28Å; F667-F747 HydrophobicContact CD2-CD2 4.05Å; F667-F747 AromaticContact CD2-CE1 3.9Å; F667-F747 HydrophobicContact CD2-CE1 3.9Å; F667-F747 AromaticContact CD2-CE2 3.65Å; F667-F747 HydrophobicContact CD2-CE2 3.65Å; F667-F747 HydrophobicContact CD2-CG 4.34Å; F667-F747 AromaticContact CD2-CZ 3.56Å; F667-F747 HydrophobicContact CD2-CZ 3.56Å; F667-F747 HydrophobicContact CE1-CE1 4.24Å; F667-F747 HydrophobicContact CE1-CZ 4.06Å; F667-F747 HydrophobicContact CE2-CE1 4.49Å; F667-F747 AromaticContact CE2-CE2 3.96Å; F667-F747 HydrophobicContact CE2-CE2 3.96Å; F667-F747 AromaticContact CE2-CZ 3.81Å; F667-F747 HydrophobicContact CE2-CZ 3.81Å; F667-F747 AromaticContact CG-CD1 3.79Å; F667-F747 HydrophobicContact CG-CD1 3.79Å; F667-F747 HydrophobicContact CG-CD2 4.38Å; F667-F747 AromaticContact CG-CE1 3.44Å; F667-F747 HydrophobicContact CG-CE1 3.44Å; F667-F747 VanDerWaalsContact CG-CE1 3.44Å; F667-F747 HydrophobicContact CG-CE2 4.08Å; F667-F747 HydrophobicContact CG-CG 4.24Å; F667-F747 AromaticContact CG-CZ 3.59Å; F667-F747 HydrophobicContact CG-CZ 3.59Å; F667-F747 HydrophobicContact CZ-CZ 4.04Å; F667-Y748 PolarHBondContact O-N 2.87Å
668	G	98.2	Very high	81	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	134.3	168.9	0	0	0	0	0	109.8	V687 L688 Y748 S882	G668-V687 CarbonylContact O-C 3.53Å; G668-V687 WeakPolarHBondContact O-CA 3.03Å; G668-L688 PolarHBondContact N-O 3.04Å; G668-L688 PolarHBondContact O-N 2.93Å; G668-Y748 WeakPolarHBondContact CA-O 3.45Å; G668-S882 WeakPolarHBondContact O-CB 3.36Å
669	A	97.8	Very high	79.8	Confident	2 Å²	2	46.4 Å²	46.4	2%	0.017	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	130.4	-176.6	0	0	0	0	0	112.5	A686 V687 I719 Y748 R749 D750	A669-A686 WeakPolarHBondContact CA-O 3.41Å; A669-V687 HydrophobicContact CB-CG1 4.39Å; A669-V687 HydrophobicContact CB-CG2 4.03Å; A669-I719 HydrophobicContact CB-CD1 3.95Å; A669-Y748 PolarHBondContact N-O 3.3Å; A669-Y748 VanDerWaalsContact N-O 3.08Å; A669-R749 PolarHBondContact O-NH1 3.14Å; A669-R749 VanDerWaalsContact O-NH1 3.08Å; A669-D750 PolarHBondContact O-N 2.95Å
670	D	95.4	Very high	79.1	Confident	6 Å²	6	43.2 Å²	43.2	3%	0.032	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	144.4	178	-174.1	28.4	0	0	0	110.8	T672 A685 A686 D750 S882 H883	D670-T672 PolarHBondContact OD2-OG1 3.41Å; D670-A685 WeakPolarHBondContact O-CA 3.24Å; D670-A686 PolarHBondContact N-O 2.74Å; D670-A686 PolarHBondContact O-N 3.39Å; D670-D750 HydrophobicContact CB-CB 4.49Å; D670-S882 WeakPolarHBondContact CB-OG 3.37Å; D670-S882 PolarHBondContact N-OG 3.46Å; D670-H883 WeakPolarHBondContact OD2-CA 3.04Å; D670-H883 IonicContact OD2-CE1 3.11Å; D670-H883 IonicContact OD2-CG 3.89Å; D670-H883 IonicContact OD2-ND1 2.68Å; D670-H883 PolarHBondContact OD2-ND1 3.43Å
671	V	92	Very high	79.2	Confident	8 Å²	8	48.2 Å²	48.2	5%	0.048	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	119	170.9	173.1	0	0	0	0	108	V684 A685 I719	V671-V684 WeakPolarHBondContact CA-O 3.16Å; V671-A685 HydrophobicContact CG2-CB 3.91Å; V671-I719 HydrophobicContact CG2-CD1 4.12Å; V671-I719 HydrophobicContact CG2-CG1 3.58Å
672	T	87.2	Confident	79.4	Confident	10 Å²	10	46.5 Å²	46.5	6%	0.061	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	115	178.3	-71.9	0	0	0	0	109.9	D670 V684 F887	D670-T672 PolarHBondContact OD2-OG1 3.41Å; T672-V684 PolarHBondContact N-O 3.24Å; T672-V684 PolarHBondContact O-N 3.09Å; T672-F887 HydrophobicContact CG2-CD2 4.44Å; T672-F887 HydrophobicContact CG2-CE2 3.94Å; T672-F887 HydrophobicContact CG2-CZ 4.36Å
673	H	83.3	Confident	79.5	Confident	43 Å²	43	43.3 Å²	43.3	20%	0.199	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-79	146.8	174.5	-60.6	-57.9	0	0	0	112.7	S683 R716 E717 R890	H673-S683 PolarHBondContact ND1-OG 3.5Å; H673-R716 PolarHBondContact CE1-O 3.3Å; H673-E717 IonicContact CD2-OE1 2.95Å; H673-E717 VanDerWaalsContact NE2-CD 3.29Å; H673-E717 IonicContact NE2-OE1 2.69Å; H673-E717 PolarHBondContact NE2-OE1 3.18Å; H673-E717 IonicContact NE2-OE2 3.15Å; H673-R890 PolarHBondContact O-NH1 2.86Å
674	P	71.6	Confident	79.5	Confident	26 Å²	26	43 Å²	43	17%	0.169	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-66.7	147.4	175.2	28.6	-33.6	0	0	0	110.6	Q678 V680 K682 T707	P674-Q678 HydrophobicContact CB-CB 4.29Å; P674-V680 WeakPolarHBondContact CB-O 3.46Å; P674-K682 WeakPolarHBondContact CD-O 3.45Å; P674-T707 HydrophobicContact CG-CG2 4.18Å
675	A	60.7	Low	79.4	Confident	12 Å²	12	42 Å²	42	10%	0.099	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-68.7	150.4	167.5	0	0	0	0	0	109.1	G27 P28 T677 Q678	G27-A675 VanDerWaalsContact O-CB 3.23Å; G27-A675 WeakPolarHBondContact O-CB 3.4Å; P28-A675 HydrophobicContact CB-CB 4.09Å; A675-T677 PolarHBondContact O-N 2.84Å; A675-Q678 HydrophobicContact CB-CG 4.42Å; A675-Q678 PolarHBondContact O-N 2.95Å
676	Q	51.6	Low	79.4	Confident	122 Å²	122	42 Å²	42	57%	0.57	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-14.1	179.1	-60.6	-169.1	10.5	0	0	114	G24 P25	G24-Q676 VanDerWaalsContact C-OE1 3.3Å; P25-Q676 VanDerWaalsContact C-OE1 3.26Å; P25-Q676 VanDerWaalsContact CD-OE1 3.27Å; P25-Q676 PolarHBondContact O-NE2 2.73Å; P25-Q676 PolarHBondContact O-OE1 3.01Å
677	T	49.4	Very low	79.3	Confident	69 Å²	69	42 Å²	42	42%	0.423	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-21.5	175	44.2	0	0	0	0	115.5	H26 A675	H26-T677 HydrophobicContact CB-CG2 3.49Å; H26-T677 VanDerWaalsContact CB-CG2 3.49Å; H26-T677 VanDerWaalsContact CE1-CG2 3.41Å; H26-T677 WeakPolarHBondContact CE1-CG2 3.13Å; H26-T677 WeakPolarHBondContact ND1-CG2 3.33Å; H26-T677 PolarHBondContact ND1-N 2.57Å; A675-T677 PolarHBondContact O-N 2.84Å
678	Q	52.3	Low	79.2	Confident	69 Å²	69	42 Å²	42	32%	0.322	20%	0.2	S	C	.	.			trans	-76.8	138.9	-167.2	-69.6	-168.8	-40	0	0	111.5	P674 A675 V680	P674-Q678 HydrophobicContact CB-CB 4.29Å; A675-Q678 HydrophobicContact CB-CG 4.42Å; A675-Q678 PolarHBondContact O-N 2.95Å; Q678-V680 VanDerWaalsContact C-N 3.27Å; Q678-V680 PolarHBondContact O-N 3Å
679	Q	51.2	Low	79.2	Confident	181 Å²	181	42 Å²	42	85%	0.846	20%	0.2	S	C	*	.	S	Bend	trans	-60.4	-39.3	175.2	-75.3	176.5	-28.7	0	0	111.3	R681	Q679-R681 PolarHBondContact O-N 3.04Å
680	V	58.8	Low	79.2	Confident	33 Å²	33	42 Å²	42	20%	0.2	20%	0.199	C	C	.	.			trans	-86.3	105.8	176.4	-175.8	0	0	0	0	109.7	P674 Q678 K682 L893 P899	P674-V680 WeakPolarHBondContact CB-O 3.46Å; Q678-V680 VanDerWaalsContact C-N 3.27Å; Q678-V680 PolarHBondContact O-N 3Å; V680-K682 VanDerWaalsContact C-N 3.26Å; V680-K682 HydrophobicContact CG1-CB 4.21Å; V680-K682 PolarHBondContact O-N 2.86Å; V680-L893 HydrophobicContact CG1-CD1 4.38Å; V680-P899 HydrophobicContact CG2-CG 3.89Å
681	R	69.6	Low	79.2	Confident	195 Å²	195	41.7 Å²	41.7	74%	0.736	20%	0.198	S	C	*	.			trans	-88.8	40.7	179.1	-65.2	-173.7	175.2	178.2	-0.1	113.2	Q679 T707	Q679-R681 PolarHBondContact O-N 3.04Å; R681-T707 WeakPolarHBondContact O-CB 3.3Å; R681-T707 PolarHBondContact O-OG1 3.02Å
682	K	81	Confident	79.2	Confident	104 Å²	104	42.1 Å²	42.1	45%	0.452	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	147.5	177.7	-73.7	-175.7	176.3	-172.8	0	110.5	P674 V680 Q704 Q705 T707	P674-K682 WeakPolarHBondContact CD-O 3.45Å; V680-K682 VanDerWaalsContact C-N 3.26Å; V680-K682 HydrophobicContact CG1-CB 4.21Å; V680-K682 PolarHBondContact O-N 2.86Å; K682-Q704 HydrophobicContact CB-CG 3.51Å; K682-Q704 HydrophobicContact CD-CG 3.68Å; K682-Q704 HydrophobicContact CG-CG 4.25Å; K682-Q705 WeakPolarHBondContact CB-O 3.41Å; K682-T707 VanDerWaalsContact C-OG1 3.27Å; K682-T707 WeakPolarHBondContact CA-OG1 3.39Å; K682-T707 PolarHBondContact N-OG1 3.29Å
683	S	87.8	Confident	79.4	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	154.5	177.4	-58.6	0	0	0	0	109.7	H673 Q704 Q705 T707	H673-S683 PolarHBondContact ND1-OG 3.5Å; S683-Q704 WeakPolarHBondContact O-CA 3.21Å; S683-Q705 PolarHBondContact N-O 2.56Å; S683-Q705 PolarHBondContact O-N 2.98Å; S683-T707 PolarHBondContact N-OG1 2.73Å; S683-T707 WeakPolarHBondContact OG-CA 3.42Å; S683-T707 PolarHBondContact OG-OG1 3.22Å
684	V	91.5	Very high	79.9	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.012	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	119.8	178.4	177.1	0	0	0	0	108	V671 T672 I702 R703 A886 A889 R890 L893 F908	V671-V684 WeakPolarHBondContact CA-O 3.16Å; T672-V684 PolarHBondContact N-O 3.24Å; T672-V684 PolarHBondContact O-N 3.09Å; V684-I702 HydrophobicContact CG1-CG2 3.56Å; V684-R703 CarbonylContact C-O 3.59Å; V684-R703 WeakPolarHBondContact CA-O 3.38Å; V684-A886 HydrophobicContact CG1-CB 4.28Å; V684-A889 HydrophobicContact CG1-CB 3.75Å; V684-R890 HydrophobicContact CG2-CG 4.38Å; V684-L893 HydrophobicContact CG2-CD1 4.2Å; V684-F908 HydrophobicContact CG1-CE2 4.43Å
685	A	94.3	Very high	81	Confident	1 Å²	1	42 Å²	42	1%	0.008	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	135	171.3	0	0	0	0	0	109.3	D670 V671 I702 R703 Q705 I719	D670-A685 WeakPolarHBondContact O-CA 3.24Å; V671-A685 HydrophobicContact CG2-CB 3.91Å; A685-I702 WeakPolarHBondContact O-CA 3.45Å; A685-I702 WeakPolarHBondContact O-CG2 3.42Å; A685-R703 PolarHBondContact N-O 2.73Å; A685-R703 PolarHBondContact O-N 3.45Å; A685-Q705 VanDerWaalsContact CB-OE1 3.3Å; A685-I719 HydrophobicContact CB-CG1 4.07Å; A685-I719 HydrophobicContact CB-CG2 3.99Å
686	A	96.2	Very high	82.7	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	125.9	172.1	0	0	0	0	0	109.2	A669 D670 V700 I702 S882 A885 A886	A669-A686 WeakPolarHBondContact CA-O 3.41Å; D670-A686 PolarHBondContact N-O 2.74Å; D670-A686 PolarHBondContact O-N 3.39Å; A686-V700 HydrophobicContact CB-CG2 4.4Å; A686-I702 HydrophobicContact CB-CG1 4.22Å; A686-I702 HydrophobicContact CB-CG2 4.35Å; A686-S882 WeakPolarHBondContact CB-O 3.29Å; A686-A885 HydrophobicContact CB-CB 3.91Å; A686-A886 HydrophobicContact CB-CB 3.95Å
687	V	97.6	Very high	84.8	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	127.9	176.1	-176.7	0	0	0	0	108.1	F667 G668 A669 V700 V701 I719 M722 I725 L729	F667-V687 HydrophobicContact CD1-CG1 4.38Å; G668-V687 CarbonylContact O-C 3.53Å; G668-V687 WeakPolarHBondContact O-CA 3.03Å; A669-V687 HydrophobicContact CB-CG1 4.39Å; A669-V687 HydrophobicContact CB-CG2 4.03Å; V687-V700 WeakPolarHBondContact O-CA 3.34Å; V687-V701 PolarHBondContact N-O 3.45Å; V687-V701 PolarHBondContact O-N 2.86Å; V687-I719 HydrophobicContact CG2-CD1 3.77Å; V687-I719 HydrophobicContact CG2-CG2 4.18Å; V687-M722 HydrophobicContact CG2-CE 4.41Å; V687-M722 HydrophobicContact CG2-SD 4.46Å; V687-I725 HydrophobicContact CB-CG2 3.48Å; V687-I725 VanDerWaalsContact CB-CG2 3.48Å; V687-I725 HydrophobicContact CG1-CG2 3.68Å; V687-I725 HydrophobicContact CG2-CD1 3.99Å; V687-I725 HydrophobicContact CG2-CG2 3.92Å; V687-L729 HydrophobicContact CB-CD1 4.46Å; V687-L729 HydrophobicContact CG1-CD1 3.91Å
688	L	96.6	Very high	87.1	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	150.4	175.3	-72.1	90.1	0	0	0	110.2	F667 G668 Y698 G699 V700 S882 A885 Y920	F667-L688 CarbonylContact C-O 3.55Å; F667-L688 WeakPolarHBondContact CA-O 3.23Å; F667-L688 WeakPolarHBondContact CB-O 3.42Å; F667-L688 VanDerWaalsContact CD1-O 3.23Å; F667-L688 WeakPolarHBondContact CD1-O 3.24Å; G668-L688 PolarHBondContact N-O 3.04Å; G668-L688 PolarHBondContact O-N 2.93Å; L688-Y698 HydrophobicContact CB-CD1 4.38Å; L688-Y698 HydrophobicContact CD2-CG 4.48Å; L688-G699 WeakPolarHBondContact CA-O 3.44Å; L688-G699 WeakPolarHBondContact CB-O 3.21Å; L688-G699 WeakPolarHBondContact CG-O 3.45Å; L688-V700 HydrophobicContact CD1-CB 4.28Å; L688-V700 HydrophobicContact CD1-CG2 3.66Å; L688-V700 HydrophobicContact CD2-CB 4.17Å; L688-V700 HydrophobicContact CD2-CG2 4.41Å; L688-V700 HydrophobicContact CG-CB 3.72Å; L688-V700 HydrophobicContact CG-CG2 3.64Å; L688-S882 VanDerWaalsContact CD1-CB 3.42Å; L688-S882 VanDerWaalsContact CD1-N 3.27Å; L688-A885 HydrophobicContact CD1-CB 4.42Å; L688-Y920 HydrophobicContact CD2-CE1 3.95Å; L688-Y920 HydrophobicContact CD2-CE2 4.07Å; L688-Y920 VanDerWaalsContact CD2-CZ 3.44Å; L688-Y920 WeakPolarHBondContact CD2-OH 3.47Å
689	G	97.8	Very high	89.1	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	142.1	166.2	0	0	0	0	0	109.1	V666 V691 Y698 G699	V666-G689 CarbonylContact O-C 3.55Å; V666-G689 WeakPolarHBondContact O-CA 3.36Å; G689-V691 PolarHBondContact O-N 2.88Å; G689-Y698 VanDerWaalsContact O-CA 3.31Å; G689-Y698 WeakPolarHBondContact O-CA 3.47Å; G689-G699 PolarHBondContact N-O 3.27Å; G689-G699 PolarHBondContact O-N 3.43Å
690	S	97.2	Very high	91.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	139.3	167.2	58.8	0	0	0	0	108.4	M665 V666 R697 Y733	M665-S690 WeakPolarHBondContact CA-OG 3.44Å; M665-S690 WeakPolarHBondContact CE-O 3.5Å; V666-S690 PolarHBondContact N-OG 3.37Å; V666-S690 PolarHBondContact O-N 3.38Å; S690-R697 CarbonylContact C-O 3.58Å; S690-R697 VanDerWaalsContact CA-O 3.32Å; S690-R697 WeakPolarHBondContact CA-O 3.15Å; S690-Y733 VanDerWaalsContact O-CD2 3.28Å; S690-Y733 WeakPolarHBondContact O-CD2 3.46Å
691	V	94.6	Very high	93	Very high	1 Å²	1	22 Å²	22	1%	0.006	10%	0.098	C	C	.	.			trans	-116.5	-3.4	-179.1	-60.4	0	0	0	0	112	G689 R697 G699 L732 N736	G689-V691 PolarHBondContact O-N 2.88Å; V691-R697 HydrophobicContact CG2-CB 3.82Å; V691-R697 PolarHBondContact N-O 2.9Å; V691-G699 VanDerWaalsContact CG1-N 3.25Å; V691-L732 HydrophobicContact CB-CD2 4.47Å; V691-L732 HydrophobicContact CB-CG 4.24Å; V691-L732 HydrophobicContact CG1-CB 4.42Å; V691-L732 HydrophobicContact CG1-CD2 3.43Å; V691-L732 VanDerWaalsContact CG1-CD2 3.43Å; V691-L732 HydrophobicContact CG1-CG 3.57Å; V691-N736 WeakPolarHBondContact O-CB 3.27Å; V691-N736 PolarHBondContact O-ND2 3.01Å
692	S	92.2	Very high	94.3	Very high	17 Å²	17	12.8 Å²	12.8	12%	0.119	6%	0.064	C	C	.	.	S	Bend	trans	-124.6	143.5	175.5	53.3	0	0	0	0	109.4	D694 L695 R697	S692-D694 VanDerWaalsContact CB-OD1 3.22Å; S692-D694 WeakPolarHBondContact CB-OD1 3.42Å; S692-D694 PolarHBondContact O-N 2.91Å; S692-D694 VanDerWaalsContact O-N 3.16Å; S692-D694 PolarHBondContact OG-OD1 2.79Å; S692-L695 PolarHBondContact O-N 3.34Å; S692-L695 VanDerWaalsContact O-N 3.09Å; S692-R697 WeakPolarHBondContact OG-CB 3.31Å; S692-R697 PolarHBondContact OG-N 3.03Å
693	P	92.2	Very high	94.9	Very high	51 Å²	51	9 Å²	9	33%	0.331	5%	0.046	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.8	176.9	-27.5	36	0	0	0	114.4	I657 L663 L695 T737	I657-P693 WeakPolarHBondContact CG2-O 3.4Å; L663-P693 HydrophobicContact CD2-CB 4.05Å; L663-P693 HydrophobicContact CD2-CG 4.15Å; P693-L695 PolarHBondContact O-N 3.18Å; P693-T737 HydrophobicContact CG-CG2 3.84Å
694	D	93.1	Very high	95	Very high	23 Å²	23	9.6 Å²	9.6	12%	0.123	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-3.6	177.7	69.9	4.4	0	0	0	114.6	Q652 S692 M696	Q652-D694 HydrophobicContact CG-CB 4.31Å; Q652-D694 PolarHBondContact NE2-OD2 3.22Å; S692-D694 VanDerWaalsContact CB-OD1 3.22Å; S692-D694 WeakPolarHBondContact CB-OD1 3.42Å; S692-D694 PolarHBondContact O-N 2.91Å; S692-D694 VanDerWaalsContact O-N 3.16Å; S692-D694 PolarHBondContact OG-OD1 2.79Å; D694-M696 HydrophobicContact CB-CG 4.31Å; D694-M696 PolarHBondContact O-N 3.07Å; D694-M696 VanDerWaalsContact O-N 3.16Å; D694-M696 WeakPolarHBondContact OD1-CB 3.45Å; D694-M696 PolarHBondContact OD1-N 3.45Å
695	L	95.7	Very high	94.8	Very high	2 Å²	2	9.7 Å²	9.7	1%	0.01	5%	0.05	C	C	.	.	S	Bend	trans	60.1	20	-179.2	-49	-179.9	0	0	0	114.2	L656 I664 V666 S692 P693 Y698 F858 L862	L656-L695 HydrophobicContact CB-CD1 4.29Å; L656-L695 HydrophobicContact CD1-CD1 4.47Å; I664-L695 WeakPolarHBondContact O-CD2 3.38Å; V666-L695 HydrophobicContact CB-CD2 4.49Å; V666-L695 HydrophobicContact CG2-CD1 3.93Å; V666-L695 HydrophobicContact CG2-CD2 3.95Å; S692-L695 PolarHBondContact O-N 3.34Å; S692-L695 VanDerWaalsContact O-N 3.09Å; P693-L695 PolarHBondContact O-N 3.18Å; L695-Y698 WeakPolarHBondContact O-CE2 3.33Å; L695-Y698 VanDerWaalsContact O-CZ 3.26Å; L695-Y698 PolarHBondContact O-OH 2.96Å; L695-F858 HydrophobicContact CD1-CE2 4.19Å; L695-F858 HydrophobicContact CD1-CZ 3.88Å; L695-L862 HydrophobicContact CD1-CD2 4.28Å
696	M	95.6	Very high	94.1	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.067	C	C	.	.			trans	-95.7	-29.1	-179.2	-62.8	-55.8	-52.3	0	0	113.2	V649 W651 Q652 D694 T865 M867	V649-M696 HydrophobicContact CG1-CB 3.83Å; V649-M696 HydrophobicContact CG1-CE 4.35Å; V649-M696 HydrophobicContact CG1-CG 3.8Å; V649-M696 HydrophobicContact CG2-CB 4.1Å; W651-M696 WeakPolarHBondContact O-CE 3.34Å; Q652-M696 HydrophobicContact CG-CG 4.1Å; D694-M696 HydrophobicContact CB-CG 4.31Å; D694-M696 PolarHBondContact O-N 3.07Å; D694-M696 VanDerWaalsContact O-N 3.16Å; D694-M696 WeakPolarHBondContact OD1-CB 3.45Å; D694-M696 PolarHBondContact OD1-N 3.45Å; M696-T865 WeakPolarHBondContact CE-O 3.39Å; M696-T865 HydrophobicContact SD-CG2 3.84Å; M696-M867 HydrophobicContact CE-CG 3.84Å; M696-M867 HydrophobicContact CE-SD 4.28Å
697	R	95.7	Very high	92.7	Very high	59 Å²	59	13.3 Å²	13.3	22%	0.223	8%	0.076	C	C	.	.			trans	-108.5	143.5	-179.5	-61.2	-179.1	60.7	166.7	-8	111.4	G647 V649 S690 V691 S692 D916	G647-R697 VanDerWaalsContact O-CZ 3.3Å; G647-R697 PolarHBondContact O-NH1 3.16Å; V649-R697 HydrophobicContact CG2-CG 4.21Å; S690-R697 CarbonylContact C-O 3.58Å; S690-R697 VanDerWaalsContact CA-O 3.32Å; S690-R697 WeakPolarHBondContact CA-O 3.15Å; V691-R697 HydrophobicContact CG2-CB 3.82Å; V691-R697 PolarHBondContact N-O 2.9Å; S692-R697 WeakPolarHBondContact OG-CB 3.31Å; S692-R697 PolarHBondContact OG-N 3.03Å; R697-D916 PolarHBondContact NH2-O 3.21Å
698	Y	97	Very high	91.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	137.2	-176.1	-64.4	-99.3	0	0	0	111.2	L688 G689 L695 P878 Y881 M918 Y920	L688-Y698 HydrophobicContact CB-CD1 4.38Å; L688-Y698 HydrophobicContact CD2-CG 4.48Å; G689-Y698 VanDerWaalsContact O-CA 3.31Å; G689-Y698 WeakPolarHBondContact O-CA 3.47Å; L695-Y698 WeakPolarHBondContact O-CE2 3.33Å; L695-Y698 VanDerWaalsContact O-CZ 3.26Å; L695-Y698 PolarHBondContact O-OH 2.96Å; Y698-P878 HydrophobicContact CD1-CB 4.31Å; Y698-P878 HydrophobicContact CE1-CB 3.71Å; Y698-P878 HydrophobicContact CE1-CG 3.61Å; Y698-P878 WeakPolarHBondContact OH-CG 3.37Å; Y698-Y881 AromaticContact CD2-CD2 3.79Å; Y698-Y881 HydrophobicContact CD2-CD2 3.79Å; Y698-Y881 AromaticContact CD2-CE2 3.73Å; Y698-Y881 HydrophobicContact CD2-CE2 3.73Å; Y698-Y881 HydrophobicContact CE2-CD2 4.16Å; Y698-Y881 AromaticContact CE2-CE2 3.85Å; Y698-Y881 HydrophobicContact CE2-CE2 3.85Å; Y698-Y881 HydrophobicContact CG-CD2 4.16Å; Y698-M918 HydrophobicContact CD2-CE 3.95Å; Y698-Y920 WeakPolarHBondContact CB-OH 3.32Å; Y698-Y920 PolarHBondContact O-OH 3.11Å
699	G	95.8	Very high	89.6	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	161.5	164.2	0	0	0	0	0	109.8	L688 G689 V691 V915	L688-G699 WeakPolarHBondContact CA-O 3.44Å; L688-G699 WeakPolarHBondContact CB-O 3.21Å; L688-G699 WeakPolarHBondContact CG-O 3.45Å; G689-G699 PolarHBondContact N-O 3.27Å; G689-G699 PolarHBondContact O-N 3.43Å; V691-G699 VanDerWaalsContact CG1-N 3.25Å; G699-V915 WeakPolarHBondContact CA-O 3.4Å
700	V	96.3	Very high	87.5	Confident	4 Å²	4	29.9 Å²	29.9	2%	0.024	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	138.6	-178.5	67.3	0	0	0	0	112.1	A686 V687 L688 I702 A885 F919 Y920	A686-V700 HydrophobicContact CB-CG2 4.4Å; V687-V700 WeakPolarHBondContact O-CA 3.34Å; L688-V700 HydrophobicContact CD1-CB 4.28Å; L688-V700 HydrophobicContact CD1-CG2 3.66Å; L688-V700 HydrophobicContact CD2-CB 4.17Å; L688-V700 HydrophobicContact CD2-CG2 4.41Å; L688-V700 HydrophobicContact CG-CB 3.72Å; L688-V700 HydrophobicContact CG-CG2 3.64Å; V700-I702 HydrophobicContact CG1-CD1 4.35Å; V700-I702 HydrophobicContact CG1-CG1 4.33Å; V700-I702 HydrophobicContact CG2-CD1 4.33Å; V700-I702 HydrophobicContact CG2-CG1 3.7Å; V700-A885 HydrophobicContact CG2-CB 3.75Å; V700-F919 HydrophobicContact CG1-CE1 3.58Å; V700-F919 HydrophobicContact CG1-CZ 3.68Å; V700-Y920 HydrophobicContact CB-CE1 4.16Å; V700-Y920 HydrophobicContact CG1-CD1 4.03Å; V700-Y920 HydrophobicContact CG1-CE1 3.84Å
701	V	95.9	Very high	85.4	Confident	3 Å²	3	34 Å²	34	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	127.3	164.5	-176.6	0	0	0	0	108	V687 R703 I725 E728 L729 R907	V687-V701 PolarHBondContact N-O 3.45Å; V687-V701 PolarHBondContact O-N 2.86Å; V701-R703 HydrophobicContact CG1-CG 4.38Å; V701-I725 HydrophobicContact CB-CG1 4.36Å; V701-I725 HydrophobicContact CB-CG2 4.14Å; V701-I725 HydrophobicContact CG1-CG1 3.96Å; V701-I725 HydrophobicContact CG2-CG2 4.5Å; V701-E728 HydrophobicContact CG2-CB 4.24Å; V701-E728 HydrophobicContact CG2-CG 4.21Å; V701-L729 HydrophobicContact CG2-CD2 4.12Å; V701-L729 HydrophobicContact CG2-CG 4.05Å; V701-R907 HydrophobicContact CG1-CG 4.16Å
702	I	95.4	Very high	83.4	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	128.7	-178.7	-47.3	171.5	0	0	0	108.6	V684 A685 A686 V700 A885 A889 W892 F908 F919	V684-I702 HydrophobicContact CG1-CG2 3.56Å; A685-I702 WeakPolarHBondContact O-CA 3.45Å; A685-I702 WeakPolarHBondContact O-CG2 3.42Å; A686-I702 HydrophobicContact CB-CG1 4.22Å; A686-I702 HydrophobicContact CB-CG2 4.35Å; V700-I702 HydrophobicContact CG1-CD1 4.35Å; V700-I702 HydrophobicContact CG1-CG1 4.33Å; V700-I702 HydrophobicContact CG2-CD1 4.33Å; V700-I702 HydrophobicContact CG2-CG1 3.7Å; I702-A885 HydrophobicContact CD1-CB 3.96Å; I702-A885 HydrophobicContact CG1-CB 4.34Å; I702-A889 HydrophobicContact CD1-CB 4.44Å; I702-A889 HydrophobicContact CG2-CB 3.62Å; I702-W892 HydrophobicContact CD1-CH2 3.63Å; I702-W892 HydrophobicContact CD1-CZ3 3.75Å; I702-F908 HydrophobicContact CB-CD2 4.08Å; I702-F908 HydrophobicContact CG2-CD2 3.76Å; I702-F908 HydrophobicContact CG2-CE2 4.12Å; I702-F908 PolarHBondContact O-N 2.79Å; I702-F919 HydrophobicContact CD1-CZ 4.09Å
703	R	93.9	Very high	81.8	Confident	24 Å²	24	47.7 Å²	47.7	9%	0.091	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	150.2	-179.8	-62.7	-178.1	67.3	68.2	6.2	111.2	V684 A685 V701 D720 D721 I725 S905 G906 R907	V684-R703 CarbonylContact C-O 3.59Å; V684-R703 WeakPolarHBondContact CA-O 3.38Å; A685-R703 PolarHBondContact N-O 2.73Å; A685-R703 PolarHBondContact O-N 3.45Å; V701-R703 HydrophobicContact CG1-CG 4.38Å; R703-D720 PolarHBondContact NE-O 2.7Å; R703-D721 IonicContact CZ-OD2 3.22Å; R703-D721 IonicContact NE-OD2 3.79Å; R703-D721 PolarHBondContact NE-OD2 3.13Å; R703-D721 IonicContact NH2-OD2 3.59Å; R703-D721 PolarHBondContact NH2-OD2 3.4Å; R703-I725 HydrophobicContact CG-CD1 4.43Å; R703-S905 PolarHBondContact NH1-O 2.94Å; R703-S905 PolarHBondContact NH2-O 2.94Å; R703-G906 CarbonylContact C-O 3.42Å; R703-G906 VanDerWaalsContact CA-O 3.26Å; R703-G906 WeakPolarHBondContact CA-O 3.2Å; R703-R907 HydrophobicContact CG-CB 4.45Å
704	Q	90.5	Very high	80.3	Confident	13 Å²	13	47.9 Å²	47.9	6%	0.061	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	128.4	167.1	-170	-175.4	56	0	0	109.1	K682 S683 L903 G906 F908	K682-Q704 HydrophobicContact CB-CG 3.51Å; K682-Q704 HydrophobicContact CD-CG 3.68Å; K682-Q704 HydrophobicContact CG-CG 4.25Å; S683-Q704 WeakPolarHBondContact O-CA 3.21Å; Q704-L903 HydrophobicContact CB-CD1 4.1Å; Q704-L903 HydrophobicContact CB-CD2 4.22Å; Q704-G906 PolarHBondContact N-O 3.07Å; Q704-F908 HydrophobicContact CB-CE2 4.14Å
705	Q	87.6	Confident	79	Confident	4 Å²	4	48.6 Å²	48.6	2%	0.019	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	164.6	-178.8	60	-175.3	63.9	0	0	112.7	K682 S683 A685 I718 D720	K682-Q705 WeakPolarHBondContact CB-O 3.41Å; S683-Q705 PolarHBondContact N-O 2.56Å; S683-Q705 PolarHBondContact O-N 2.98Å; A685-Q705 VanDerWaalsContact CB-OE1 3.3Å; Q705-I718 PolarHBondContact NE2-O 3.02Å; Q705-D720 HydrophobicContact CB-CB 4.37Å; Q705-D720 WeakPolarHBondContact CB-OD2 3.4Å
706	A	78.8	Confident	78.2	Confident	46 Å²	46	51 Å²	51	38%	0.38	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	138.2	174.6	0	0	0	0	0	110.5
707	T	67.9	Low	77.6	Confident	30 Å²	30	52.1 Å²	52.1	18%	0.184	29%	0.288	C	S	.	.	S	Bend	trans	-75.9	-28.1	-178.9	-59.2	0	0	0	0	112.8	P674 R681 K682 S683 A715 R716	P674-T707 HydrophobicContact CG-CG2 4.18Å; R681-T707 WeakPolarHBondContact O-CB 3.3Å; R681-T707 PolarHBondContact O-OG1 3.02Å; K682-T707 VanDerWaalsContact C-OG1 3.27Å; K682-T707 WeakPolarHBondContact CA-OG1 3.39Å; K682-T707 PolarHBondContact N-OG1 3.29Å; S683-T707 PolarHBondContact N-OG1 2.73Å; S683-T707 WeakPolarHBondContact OG-CA 3.42Å; S683-T707 PolarHBondContact OG-OG1 3.22Å; T707-A715 CarbonylContact O-C 3.56Å; T707-A715 VanDerWaalsContact O-CA 3.29Å; T707-A715 WeakPolarHBondContact O-CA 3.27Å; T707-R716 PolarHBondContact O-N 3Å
708	T	66.3	Low	77.2	Confident	66 Å²	66	49.9 Å²	49.9	41%	0.405	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-124.6	148.3	-176.6	54.1	0	0	0	0	110.1	N712 A714	T708-N712 VanDerWaalsContact CB-O 3.31Å; T708-N712 WeakPolarHBondContact CB-O 3.37Å; T708-A714 WeakPolarHBondContact CA-O 3.42Å
709	E	61.1	Low	76.7	Confident	62 Å²	62	50.1 Å²	50.1	29%	0.29	28%	0.282	S	S	.	.			trans	-60.6	151.8	164.3	-72.9	171	-174.6	0	0	110.3	G711 N712 R716	E709-G711 PolarHBondContact O-N 3.26Å; E709-N712 HydrophobicContact CB-CB 4.18Å; E709-N712 PolarHBondContact O-N 3.49Å; E709-N712 PolarHBondContact OE2-ND2 3.4Å; E709-R716 HydrophobicContact CG-CB 4.2Å; E709-R716 HydrophobicContact CG-CG 4.03Å
710	K	55.5	Low	76.4	Confident	221 Å²	221	52 Å²	52	96%	0.961	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	114.2	175.9	-71.1	-178.7	-179.2	175.4	0	108.8
711	G	51.9	Low	76.1	Confident	86 Å²	86	55.5 Å²	55.5	89%	0.887	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.9	-15.7	177.5	0	0	0	0	0	115.9	E709	E709-G711 PolarHBondContact O-N 3.26Å
712	N	53.6	Low	76.1	Confident	95 Å²	95	55.6 Å²	55.6	51%	0.508	31%	0.311	S	S	.	.			trans	-109.8	145.8	-179.5	-86.4	-24.5	0	0	0	112.3	T708 E709 A714	T708-N712 VanDerWaalsContact CB-O 3.31Å; T708-N712 WeakPolarHBondContact CB-O 3.37Å; E709-N712 HydrophobicContact CB-CB 4.18Å; E709-N712 PolarHBondContact O-N 3.49Å; E709-N712 PolarHBondContact OE2-ND2 3.4Å; N712-A714 VanDerWaalsContact C-N 3.26Å
713	K	57.7	Low	76.1	Confident	210 Å²	210	60.4 Å²	60.4	91%	0.913	33%	0.329	S	S	*	.			trans	-81.7	-4	172.6	-70.2	179	-177.6	167.5	0	113.1
714	A	60.8	Low	76.2	Confident	55 Å²	55	63.9 Å²	63.9	46%	0.455	35%	0.349	S	S	.	.	S	Bend	trans	-69.4	143.6	179.6	0	0	0	0	0	110.9	T708 N712	T708-A714 WeakPolarHBondContact CA-O 3.42Å; N712-A714 VanDerWaalsContact C-N 3.26Å
715	A	65.7	Low	76.5	Confident	38 Å²	38	63.4 Å²	63.4	31%	0.314	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-70.9	131.1	175.5	0	0	0	0	0	109.4	T707 E717	T707-A715 CarbonylContact O-C 3.56Å; T707-A715 VanDerWaalsContact O-CA 3.29Å; T707-A715 WeakPolarHBondContact O-CA 3.27Å; A715-E717 PolarHBondContact O-N 2.77Å
716	R	78.4	Confident	77	Confident	54 Å²	54	63.2 Å²	63.2	20%	0.204	35%	0.346	C	S	.	.			trans	-84.5	108.3	-178.7	-172.8	175.2	179.3	-138.1	-6.2	110.3	H673 T707 E709 D720	H673-R716 PolarHBondContact CE1-O 3.3Å; T707-R716 PolarHBondContact O-N 3Å; E709-R716 HydrophobicContact CG-CB 4.2Å; E709-R716 HydrophobicContact CG-CG 4.03Å; R716-D720 IonicContact CZ-OD1 2.65Å; R716-D720 VanDerWaalsContact NH1-CG 3.33Å; R716-D720 IonicContact NH1-OD1 3.39Å; R716-D720 PolarHBondContact NH1-OD1 2.93Å; R716-D720 IonicContact NH1-OD2 3.2Å; R716-D720 PolarHBondContact NH1-OD2 3.26Å; R716-D720 VanDerWaalsContact NH1-OD2 3.17Å; R716-D720 IonicContact NH2-OD1 2.82Å; R716-D720 PolarHBondContact NH2-OD1 3.38Å
717	E	83.9	Confident	77.8	Confident	23 Å²	23	64 Å²	64	11%	0.107	34%	0.34	C	S	.	.			trans	-87.7	-17.8	-178.2	-69	-67.8	174.4	0	0	113.9	H673 A715 I719 R749 Q756	H673-E717 IonicContact CD2-OE1 2.95Å; H673-E717 VanDerWaalsContact NE2-CD 3.29Å; H673-E717 IonicContact NE2-OE1 2.69Å; H673-E717 PolarHBondContact NE2-OE1 3.18Å; H673-E717 IonicContact NE2-OE2 3.15Å; A715-E717 PolarHBondContact O-N 2.77Å; E717-I719 PolarHBondContact O-N 3.45Å; E717-R749 PolarHBondContact O-NH2 3.27Å; E717-R749 IonicContact OE2-NH2 3.51Å; E717-Q756 VanDerWaalsContact CG-NE2 3.33Å
718	I	86.1	Confident	79.1	Confident	11 Å²	11	65 Å²	65	6%	0.056	34%	0.343	C	S	.	.	S	Bend	trans	-69	130.9	179.9	-52.5	178.1	0	0	0	109.9	Q705 N759 V760 E763 E764	Q705-I718 PolarHBondContact NE2-O 3.02Å; I718-N759 HydrophobicContact CD1-CB 4.06Å; I718-V760 HydrophobicContact CG1-CG2 4.41Å; I718-E763 HydrophobicContact CD1-CG 4.32Å; I718-E763 VanDerWaalsContact CD1-OE1 3.22Å; I718-E763 WeakPolarHBondContact CD1-OE1 3.33Å; I718-E763 WeakPolarHBondContact CD1-OE2 3.36Å; I718-E763 HydrophobicContact CG2-CB 4.07Å; I718-E763 WeakPolarHBondContact CG2-OE2 3.23Å; I718-E764 HydrophobicContact CG2-CG 4.37Å
719	I	88.2	Confident	80.6	Confident	6 Å²	6	62 Å²	62	3%	0.031	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-79.9	122.7	-179.9	-64.5	176	0	0	0	110.7	A669 V671 A685 V687 E717 M722 I725 E764	A669-I719 HydrophobicContact CB-CD1 3.95Å; V671-I719 HydrophobicContact CG2-CD1 4.12Å; V671-I719 HydrophobicContact CG2-CG1 3.58Å; A685-I719 HydrophobicContact CB-CG1 4.07Å; A685-I719 HydrophobicContact CB-CG2 3.99Å; V687-I719 HydrophobicContact CG2-CD1 3.77Å; V687-I719 HydrophobicContact CG2-CG2 4.18Å; E717-I719 PolarHBondContact O-N 3.45Å; I719-M722 HydrophobicContact CB-CE 3.99Å; I719-M722 HydrophobicContact CD1-CE 3.91Å; I719-M722 HydrophobicContact CG1-CE 4.46Å; I719-M722 HydrophobicContact CG2-CE 4.2Å; I719-I725 HydrophobicContact CG2-CD1 3.64Å; I719-E764 PolarHBondContact N-OE1 3.34Å; I719-E764 VanDerWaalsContact N-OE1 3.1Å
720	D	87.8	Confident	82.3	Confident	38 Å²	38	59 Å²	59	20%	0.203	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	140	175.8	-75.7	-29.6	0	0	0	111.7	R703 Q705 R716 M722	R703-D720 PolarHBondContact NE-O 2.7Å; Q705-D720 HydrophobicContact CB-CB 4.37Å; Q705-D720 WeakPolarHBondContact CB-OD2 3.4Å; R716-D720 IonicContact CZ-OD1 2.65Å; R716-D720 VanDerWaalsContact NH1-CG 3.33Å; R716-D720 IonicContact NH1-OD1 3.39Å; R716-D720 PolarHBondContact NH1-OD1 2.93Å; R716-D720 IonicContact NH1-OD2 3.2Å; R716-D720 PolarHBondContact NH1-OD2 3.26Å; R716-D720 VanDerWaalsContact NH1-OD2 3.17Å; R716-D720 IonicContact NH2-OD1 2.82Å; R716-D720 PolarHBondContact NH2-OD1 3.38Å; D720-M722 VanDerWaalsContact C-N 3.29Å; D720-M722 PolarHBondContact O-N 3.29Å
721	D	91.2	Very high	84.3	Confident	79 Å²	79	53.1 Å²	53.1	42%	0.422	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	35	175.4	-57.2	-51.7	0	0	0	114.9	R703 R723 L724 I725	R703-D721 IonicContact CZ-OD2 3.22Å; R703-D721 IonicContact NE-OD2 3.79Å; R703-D721 PolarHBondContact NE-OD2 3.13Å; R703-D721 IonicContact NH2-OD2 3.59Å; R703-D721 PolarHBondContact NH2-OD2 3.4Å; D721-R723 PolarHBondContact O-N 2.9Å; D721-R723 VanDerWaalsContact O-N 3.07Å; D721-L724 HydrophobicContact CB-CB 4.29Å; D721-L724 HydrophobicContact CB-CD1 4.2Å; D721-L724 HydrophobicContact CB-CG 4.47Å; D721-L724 PolarHBondContact O-N 3Å; D721-I725 WeakPolarHBondContact O-CG1 3.46Å; D721-I725 PolarHBondContact O-N 2.96Å
722	M	95.4	Very high	86.3	Confident	5 Å²	5	49.2 Å²	49.2	3%	0.025	25%	0.245	C	C	.	.	H	α-helix	trans	-47.8	-38.5	175	-177.7	63.3	83.7	0	0	112.5	V687 I719 D720 L724 I725 V726 E764 A767 I768	V687-M722 HydrophobicContact CG2-CE 4.41Å; V687-M722 HydrophobicContact CG2-SD 4.46Å; I719-M722 HydrophobicContact CB-CE 3.99Å; I719-M722 HydrophobicContact CD1-CE 3.91Å; I719-M722 HydrophobicContact CG1-CE 4.46Å; I719-M722 HydrophobicContact CG2-CE 4.2Å; D720-M722 VanDerWaalsContact C-N 3.29Å; D720-M722 PolarHBondContact O-N 3.29Å; M722-L724 PolarHBondContact O-N 2.99Å; M722-I725 PolarHBondContact O-N 3.27Å; M722-V726 HydrophobicContact CG-CG2 4.12Å; M722-V726 WeakPolarHBondContact O-CB 3.42Å; M722-V726 VanDerWaalsContact O-CG2 3.26Å; M722-V726 WeakPolarHBondContact O-CG2 3.45Å; M722-V726 PolarHBondContact O-N 3.16Å; M722-V726 HydrophobicContact SD-CG2 3.77Å; M722-E764 HydrophobicContact CE-CB 4.11Å; M722-E764 HydrophobicContact CE-CG 3.96Å; M722-E764 WeakPolarHBondContact CE-OE2 3.29Å; M722-E764 HydrophobicContact CG-CB 4.29Å; M722-A767 HydrophobicContact CB-CB 3.79Å; M722-A767 HydrophobicContact CG-CB 4.09Å; M722-I768 HydrophobicContact CG-CG1 4.02Å
723	R	95.8	Very high	88.3	Confident	102 Å²	102	44.7 Å²	44.7	39%	0.385	22%	0.221	S	C	.	.	H	α-helix	trans	-57.4	-47.6	176.4	-178.7	179.4	174.6	176.5	1	112.3	D721 K727 A767 R770 A771 D774	D721-R723 PolarHBondContact O-N 2.9Å; D721-R723 VanDerWaalsContact O-N 3.07Å; R723-K727 VanDerWaalsContact O-CB 3.26Å; R723-K727 WeakPolarHBondContact O-CB 3.25Å; R723-K727 PolarHBondContact O-N 2.86Å; R723-A767 WeakPolarHBondContact CA-O 3.33Å; R723-A767 HydrophobicContact CB-CB 4.11Å; R723-R770 HydrophobicContact CG-CB 4.29Å; R723-A771 HydrophobicContact CG-CB 4.19Å; R723-A771 WeakPolarHBondContact O-CB 3.36Å; R723-D774 IonicContact CZ-OD1 3.94Å; R723-D774 IonicContact CZ-OD2 3.6Å; R723-D774 IonicContact NE-OD1 3.76Å; R723-D774 IonicContact NE-OD2 3.76Å; R723-D774 PolarHBondContact NE-OD2 3.15Å; R723-D774 IonicContact NH2-OD1 2.68Å; R723-D774 PolarHBondContact NH2-OD1 2.72Å; R723-D774 IonicContact NH2-OD2 2.97Å; R723-D774 PolarHBondContact NH2-OD2 2.94Å
724	L	95.5	Very high	90.1	Very high	98 Å²	98	35.8 Å²	35.8	51%	0.513	18%	0.183	S	C	.	.	H	α-helix	trans	-71	-39.3	-179.8	-66.2	178.1	0	0	0	111.7	D721 M722 K727 E728	D721-L724 HydrophobicContact CB-CB 4.29Å; D721-L724 HydrophobicContact CB-CD1 4.2Å; D721-L724 HydrophobicContact CB-CG 4.47Å; D721-L724 PolarHBondContact O-N 3Å; M722-L724 PolarHBondContact O-N 2.99Å; L724-K727 PolarHBondContact O-N 3.06Å; L724-E728 PolarHBondContact O-N 2.88Å
725	I	96.6	Very high	91.7	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.015	19%	0.192	C	C	.	.	H	α-helix	trans	-57.5	-53.5	175.5	-69.6	174.9	0	0	0	110.7	V687 V701 R703 I719 D721 M722 K727 E728 L729	V687-I725 HydrophobicContact CB-CG2 3.48Å; V687-I725 VanDerWaalsContact CB-CG2 3.48Å; V687-I725 HydrophobicContact CG1-CG2 3.68Å; V687-I725 HydrophobicContact CG2-CD1 3.99Å; V687-I725 HydrophobicContact CG2-CG2 3.92Å; V701-I725 HydrophobicContact CB-CG1 4.36Å; V701-I725 HydrophobicContact CB-CG2 4.14Å; V701-I725 HydrophobicContact CG1-CG1 3.96Å; V701-I725 HydrophobicContact CG2-CG2 4.5Å; R703-I725 HydrophobicContact CG-CD1 4.43Å; I719-I725 HydrophobicContact CG2-CD1 3.64Å; D721-I725 WeakPolarHBondContact O-CG1 3.46Å; D721-I725 PolarHBondContact O-N 2.96Å; M722-I725 PolarHBondContact O-N 3.27Å; I725-K727 VanDerWaalsContact C-N 3.33Å; I725-K727 PolarHBondContact O-N 3.46Å; I725-E728 PolarHBondContact O-N 2.82Å; I725-L729 HydrophobicContact CG2-CD1 3.96Å; I725-L729 WeakPolarHBondContact O-CG 3.3Å; I725-L729 PolarHBondContact O-N 3.19Å
726	V	97.8	Very high	92.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.3	-40.9	-176.8	173	0	0	0	0	110.1	M722 E728 L729 L730 M745 F747 I768 A771	M722-V726 HydrophobicContact CG-CG2 4.12Å; M722-V726 WeakPolarHBondContact O-CB 3.42Å; M722-V726 VanDerWaalsContact O-CG2 3.26Å; M722-V726 WeakPolarHBondContact O-CG2 3.45Å; M722-V726 PolarHBondContact O-N 3.16Å; M722-V726 HydrophobicContact SD-CG2 3.77Å; V726-E728 VanDerWaalsContact C-N 3.34Å; V726-E728 PolarHBondContact O-N 2.98Å; V726-L729 PolarHBondContact O-N 3.22Å; V726-L730 WeakPolarHBondContact O-CB 3.36Å; V726-L730 PolarHBondContact O-N 2.89Å; V726-M745 HydrophobicContact CG1-CE 3.83Å; V726-F747 HydrophobicContact CG2-CE1 4.22Å; V726-F747 HydrophobicContact CG2-CZ 4.12Å; V726-I768 HydrophobicContact CG1-CG2 4.49Å; V726-I768 HydrophobicContact CG2-CG1 3.97Å; V726-A771 HydrophobicContact CB-CB 3.72Å; V726-A771 HydrophobicContact CG1-CB 3.68Å
727	K	97.1	Very high	93.6	Very high	62 Å²	62	40.4 Å²	40.4	27%	0.27	19%	0.186	S	C	.	.	H	α-helix	trans	-54.7	-48.4	173.8	177.3	170.8	-171.2	170	0	111.8	R723 L724 I725 L730 Q731 A771 D774 V775	R723-K727 VanDerWaalsContact O-CB 3.26Å; R723-K727 WeakPolarHBondContact O-CB 3.25Å; R723-K727 PolarHBondContact O-N 2.86Å; L724-K727 PolarHBondContact O-N 3.06Å; I725-K727 VanDerWaalsContact C-N 3.33Å; I725-K727 PolarHBondContact O-N 3.46Å; K727-L730 PolarHBondContact O-N 3.43Å; K727-Q731 WeakPolarHBondContact O-CB 3.46Å; K727-Q731 VanDerWaalsContact O-CG 3.24Å; K727-Q731 WeakPolarHBondContact O-CG 3.46Å; K727-Q731 PolarHBondContact O-N 3.19Å; K727-A771 HydrophobicContact CB-CB 4.37Å; K727-D774 HydrophobicContact CD-CB 4.16Å; K727-V775 HydrophobicContact CB-CG2 4.25Å; K727-V775 HydrophobicContact CG-CG2 3.71Å
728	E	95.6	Very high	94	Very high	51 Å²	51	46.7 Å²	46.7	24%	0.238	22%	0.221	C	C	.	.	H	α-helix	trans	-63.7	-46.7	179.6	-171.4	-175.6	150.6	0	0	112	V701 L724 I725 V726 Q731 L732 R907	V701-E728 HydrophobicContact CG2-CB 4.24Å; V701-E728 HydrophobicContact CG2-CG 4.21Å; L724-E728 PolarHBondContact O-N 2.88Å; I725-E728 PolarHBondContact O-N 2.82Å; V726-E728 VanDerWaalsContact C-N 3.34Å; V726-E728 PolarHBondContact O-N 2.98Å; E728-Q731 PolarHBondContact O-N 2.92Å; E728-L732 PolarHBondContact O-N 3.49Å; E728-R907 IonicContact OE1-CZ 2.7Å; E728-R907 IonicContact OE1-NE 3.53Å; E728-R907 IonicContact OE1-NH2 3.77Å; E728-R907 PolarHBondContact OE1-NH2 3.16Å; E728-R907 IonicContact OE2-CZ 3.74Å; E728-R907 IonicContact OE2-NE 3.49Å; E728-R907 PolarHBondContact OE2-NE 3.32Å; E728-R907 IonicContact OE2-NH2 3.78Å; E728-R907 PolarHBondContact OE2-NH2 3.1Å
729	L	97.1	Very high	94.4	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-65.8	-39	179.3	-69.7	171.9	0	0	0	112	M665 F667 V687 V701 I725 V726 L732 Y733	M665-L729 HydrophobicContact CE-CB 4Å; M665-L729 WeakPolarHBondContact CE-O 3.46Å; F667-L729 HydrophobicContact CD1-CD1 4.1Å; F667-L729 HydrophobicContact CE1-CB 4.11Å; F667-L729 HydrophobicContact CE1-CD1 3.92Å; V687-L729 HydrophobicContact CB-CD1 4.46Å; V687-L729 HydrophobicContact CG1-CD1 3.91Å; V701-L729 HydrophobicContact CG2-CD2 4.12Å; V701-L729 HydrophobicContact CG2-CG 4.05Å; I725-L729 HydrophobicContact CG2-CD1 3.96Å; I725-L729 WeakPolarHBondContact O-CG 3.3Å; I725-L729 PolarHBondContact O-N 3.19Å; V726-L729 PolarHBondContact O-N 3.22Å; L729-L732 WeakPolarHBondContact O-CB 3.42Å; L729-L732 PolarHBondContact O-N 3.48Å; L729-Y733 PolarHBondContact O-N 3.1Å
730	L	97.2	Very high	94.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-66.3	-42.8	176.8	-179	59	0	0	0	110.9	M665 V726 K727 L732 Y733 L734 F741 P742 V775	M665-L730 HydrophobicContact SD-CD1 4.18Å; V726-L730 WeakPolarHBondContact O-CB 3.36Å; V726-L730 PolarHBondContact O-N 2.89Å; K727-L730 PolarHBondContact O-N 3.43Å; L730-L732 VanDerWaalsContact C-N 3.28Å; L730-L732 PolarHBondContact O-N 3.49Å; L730-Y733 WeakPolarHBondContact O-CB 3.39Å; L730-Y733 PolarHBondContact O-N 3.42Å; L730-Y733 VanDerWaalsContact O-N 3.13Å; L730-L734 VanDerWaalsContact O-CG 3.31Å; L730-L734 WeakPolarHBondContact O-CG 3.37Å; L730-L734 PolarHBondContact O-N 3.11Å; L730-F741 HydrophobicContact CD1-CE1 4.49Å; L730-F741 HydrophobicContact CD1-CE2 4.22Å; L730-F741 HydrophobicContact CD1-CZ 4.15Å; L730-F741 HydrophobicContact CD2-CE1 4.37Å; L730-F741 HydrophobicContact CD2-CE2 3.71Å; L730-F741 HydrophobicContact CD2-CZ 3.45Å; L730-F741 VanDerWaalsContact CD2-CZ 3.45Å; L730-F741 HydrophobicContact CG-CE2 4.21Å; L730-F741 HydrophobicContact CG-CZ 4.27Å; L730-P742 HydrophobicContact CD1-CG 3.73Å; L730-V775 HydrophobicContact CB-CG2 4.42Å; L730-V775 HydrophobicContact CD2-CB 3.81Å; L730-V775 HydrophobicContact CD2-CG1 4.05Å; L730-V775 HydrophobicContact CD2-CG2 3.78Å; L730-V775 HydrophobicContact CG-CB 4.43Å; L730-V775 HydrophobicContact CG-CG1 4.18Å; L730-V775 HydrophobicContact CG-CG2 4.25Å
731	Q	96.1	Very high	95	Very high	97 Å²	97	52.2 Å²	52.2	45%	0.453	25%	0.247	S	C	.	.	H	α-helix	trans	-60.2	-37.8	172.4	-73.9	173	-23.8	0	0	112.4	K727 E728 R735 V775	K727-Q731 WeakPolarHBondContact O-CB 3.46Å; K727-Q731 VanDerWaalsContact O-CG 3.24Å; K727-Q731 WeakPolarHBondContact O-CG 3.46Å; K727-Q731 PolarHBondContact O-N 3.19Å; E728-Q731 PolarHBondContact O-N 2.92Å; Q731-R735 PolarHBondContact O-N 3.46Å; Q731-V775 HydrophobicContact CG-CG1 4.48Å; Q731-V775 HydrophobicContact CG-CG2 4.22Å
732	L	94.4	Very high	95.3	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.026	23%	0.228	C	C	.	.	H	α-helix	trans	-65.8	-40.1	173.9	-178.4	61	0	0	0	111.9	V691 E728 L729 L730 R735 V915 D916	V691-L732 HydrophobicContact CB-CD2 4.47Å; V691-L732 HydrophobicContact CB-CG 4.24Å; V691-L732 HydrophobicContact CG1-CB 4.42Å; V691-L732 HydrophobicContact CG1-CD2 3.43Å; V691-L732 VanDerWaalsContact CG1-CD2 3.43Å; V691-L732 HydrophobicContact CG1-CG 3.57Å; E728-L732 PolarHBondContact O-N 3.49Å; L729-L732 WeakPolarHBondContact O-CB 3.42Å; L729-L732 PolarHBondContact O-N 3.48Å; L730-L732 VanDerWaalsContact C-N 3.28Å; L730-L732 PolarHBondContact O-N 3.49Å; L732-R735 VanDerWaalsContact CD1-NH2 3.31Å; L732-V915 HydrophobicContact CD2-CG1 4.17Å; L732-D916 HydrophobicContact CD1-CB 4.35Å
733	Y	96	Very high	95.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.1	-51.5	173.1	-175.3	-97	0	0	0	111.6	L663 I664 M665 S690 L729 L730 R735 N736 T737 P742	L663-Y733 WeakPolarHBondContact CB-OH 3.38Å; I664-Y733 PolarHBondContact O-OH 3.42Å; M665-Y733 HydrophobicContact CB-CD2 4.43Å; M665-Y733 HydrophobicContact CB-CE2 4.22Å; M665-Y733 HydrophobicContact CE-CG 4.41Å; M665-Y733 HydrophobicContact CG-CD2 3.99Å; M665-Y733 HydrophobicContact CG-CE2 4.22Å; M665-Y733 HydrophobicContact CG-CG 4.35Å; M665-Y733 HydrophobicContact SD-CD1 4.37Å; M665-Y733 HydrophobicContact SD-CD2 4.05Å; M665-Y733 HydrophobicContact SD-CG 3.83Å; S690-Y733 VanDerWaalsContact O-CD2 3.28Å; S690-Y733 WeakPolarHBondContact O-CD2 3.46Å; L729-Y733 PolarHBondContact O-N 3.1Å; L730-Y733 WeakPolarHBondContact O-CB 3.39Å; L730-Y733 PolarHBondContact O-N 3.42Å; L730-Y733 VanDerWaalsContact O-N 3.13Å; Y733-R735 PolarHBondContact O-N 2.76Å; Y733-N736 CarbonylContact O-C 3.45Å; Y733-N736 WeakPolarHBondContact O-CA 3.24Å; Y733-N736 PolarHBondContact O-N 3.27Å; Y733-T737 HydrophobicContact CD1-CG2 3.83Å; Y733-T737 HydrophobicContact CD2-CG2 4.28Å; Y733-T737 HydrophobicContact CE1-CG2 3.48Å; Y733-T737 VanDerWaalsContact CE1-CG2 3.48Å; Y733-T737 HydrophobicContact CE2-CG2 3.99Å; Y733-T737 HydrophobicContact CG-CG2 4.23Å; Y733-T737 WeakPolarHBondContact O-CG2 3.2Å; Y733-T737 PolarHBondContact O-N 3.19Å; Y733-T737 PolarHBondContact O-OG1 2.89Å; Y733-P742 HydrophobicContact CD1-CG 4.35Å; Y733-P742 HydrophobicContact CE1-CB 3.89Å; Y733-P742 HydrophobicContact CE1-CG 4.2Å
734	L	95.8	Very high	95.2	Very high	22 Å²	22	49 Å²	49	12%	0.115	24%	0.236	C	C	.	.	H	α-helix	trans	-55.8	-38.3	-179.6	-67.4	-176.5	0	0	0	112.7	L730 N736 T737 N738 G739 R740 F741 V775	L730-L734 VanDerWaalsContact O-CG 3.31Å; L730-L734 WeakPolarHBondContact O-CG 3.37Å; L730-L734 PolarHBondContact O-N 3.11Å; L734-N736 PolarHBondContact O-N 3.13Å; L734-T737 WeakPolarHBondContact CA-OG1 3.44Å; L734-T737 PolarHBondContact O-N 3.24Å; L734-T737 PolarHBondContact O-OG1 3.01Å; L734-N738 PolarHBondContact O-N 2.96Å; L734-G739 WeakPolarHBondContact O-CA 3.47Å; L734-G739 PolarHBondContact O-N 3.45Å; L734-R740 VanDerWaalsContact CD2-O 3.22Å; L734-R740 WeakPolarHBondContact CD2-O 3.28Å; L734-F741 HydrophobicContact CD1-CD2 4.32Å; L734-F741 HydrophobicContact CD2-CB 4.36Å; L734-F741 HydrophobicContact CD2-CD2 3.93Å; L734-F741 HydrophobicContact CD2-CG 4.42Å; L734-V775 HydrophobicContact CD1-CG1 3.47Å; L734-V775 VanDerWaalsContact CD1-CG1 3.47Å
735	R	93.8	Very high	95.3	Very high	169 Å²	169	44.3 Å²	44.3	64%	0.638	21%	0.212	S	C	*	.	H	α-helix	trans	-59.8	-34.7	175.7	-171.8	-172.2	-21.7	-180	3.8	112.6	Q731 L732 Y733	Q731-R735 PolarHBondContact O-N 3.46Å; L732-R735 VanDerWaalsContact CD1-NH2 3.31Å; Y733-R735 PolarHBondContact O-N 2.76Å
736	N	91.9	Very high	95.4	Very high	72 Å²	72	44.2 Å²	44.2	39%	0.385	21%	0.211	S	C	.	.	H	α-helix	trans	-95.7	-3	-177.1	-67.3	-21.5	0	0	0	113.4	V691 Y733 L734	V691-N736 WeakPolarHBondContact O-CB 3.27Å; V691-N736 PolarHBondContact O-ND2 3.01Å; Y733-N736 CarbonylContact O-C 3.45Å; Y733-N736 WeakPolarHBondContact O-CA 3.24Å; Y733-N736 PolarHBondContact O-N 3.27Å; L734-N736 PolarHBondContact O-N 3.13Å
737	T	92.9	Very high	95.4	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.018	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	19.7	177.8	60.3	0	0	0	0	113.2	P693 Y733 L734 G739 R740	P693-T737 HydrophobicContact CG-CG2 3.84Å; Y733-T737 HydrophobicContact CD1-CG2 3.83Å; Y733-T737 HydrophobicContact CD2-CG2 4.28Å; Y733-T737 HydrophobicContact CE1-CG2 3.48Å; Y733-T737 VanDerWaalsContact CE1-CG2 3.48Å; Y733-T737 HydrophobicContact CE2-CG2 3.99Å; Y733-T737 HydrophobicContact CG-CG2 4.23Å; Y733-T737 WeakPolarHBondContact O-CG2 3.2Å; Y733-T737 PolarHBondContact O-N 3.19Å; Y733-T737 PolarHBondContact O-OG1 2.89Å; L734-T737 WeakPolarHBondContact CA-OG1 3.44Å; L734-T737 PolarHBondContact O-N 3.24Å; L734-T737 PolarHBondContact O-OG1 3.01Å; T737-G739 PolarHBondContact O-N 3.31Å; T737-R740 WeakPolarHBondContact O-CB 3.44Å; T737-R740 WeakPolarHBondContact O-CG 3.3Å; T737-R740 PolarHBondContact O-N 3.46Å; T737-R740 VanDerWaalsContact O-N 3.14Å; T737-R740 PolarHBondContact OG1-O 3.48Å
738	N	92.5	Very high	95.5	Very high	155 Å²	155	41.5 Å²	41.5	83%	0.829	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	39	-175.6	-59.1	-30.5	0	0	0	112.4	L734 R740	L734-N738 PolarHBondContact O-N 2.96Å; N738-R740 VanDerWaalsContact C-N 3.27Å; N738-R740 PolarHBondContact O-N 2.97Å
739	G	93.8	Very high	95.5	Very high	30 Å²	30	39.1 Å²	39.1	31%	0.309	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	2.3	179.7	0	0	0	0	0	115.1	L734 T737 F741 R776	L734-G739 WeakPolarHBondContact O-CA 3.47Å; L734-G739 PolarHBondContact O-N 3.45Å; T737-G739 PolarHBondContact O-N 3.31Å; G739-F741 PolarHBondContact O-N 3.31Å; G739-R776 PolarHBondContact O-NH2 3.37Å
740	R	93.9	Very high	95.4	Very high	126 Å²	126	39.2 Å²	39.2	48%	0.475	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-73.3	127.4	177.1	-63.6	-170.4	-63.8	166.5	3	111.1	L663 L734 T737 N738	L663-R740 HydrophobicContact CD1-CB 3.4Å; L663-R740 HydrophobicContact CD1-CG 4.45Å; L734-R740 VanDerWaalsContact CD2-O 3.22Å; L734-R740 WeakPolarHBondContact CD2-O 3.28Å; T737-R740 WeakPolarHBondContact O-CB 3.44Å; T737-R740 WeakPolarHBondContact O-CG 3.3Å; T737-R740 PolarHBondContact O-N 3.46Å; T737-R740 VanDerWaalsContact O-N 3.14Å; T737-R740 PolarHBondContact OG1-O 3.48Å; N738-R740 VanDerWaalsContact C-N 3.27Å; N738-R740 PolarHBondContact O-N 2.97Å
741	F	95.4	Very high	94.8	Very high	15 Å²	15	40.4 Å²	40.4	7%	0.066	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-75.2	143.2	179.6	-148	-92.2	0	0	0	110.5	L730 L734 G739 C772 V775 R776 E779 P781	L730-F741 HydrophobicContact CD1-CE1 4.49Å; L730-F741 HydrophobicContact CD1-CE2 4.22Å; L730-F741 HydrophobicContact CD1-CZ 4.15Å; L730-F741 HydrophobicContact CD2-CE1 4.37Å; L730-F741 HydrophobicContact CD2-CE2 3.71Å; L730-F741 HydrophobicContact CD2-CZ 3.45Å; L730-F741 VanDerWaalsContact CD2-CZ 3.45Å; L730-F741 HydrophobicContact CG-CE2 4.21Å; L730-F741 HydrophobicContact CG-CZ 4.27Å; L734-F741 HydrophobicContact CD1-CD2 4.32Å; L734-F741 HydrophobicContact CD2-CB 4.36Å; L734-F741 HydrophobicContact CD2-CD2 3.93Å; L734-F741 HydrophobicContact CD2-CG 4.42Å; G739-F741 PolarHBondContact O-N 3.31Å; F741-C772 HydrophobicContact CZ-CB 4.19Å; F741-V775 HydrophobicContact CE2-CB 4.39Å; F741-V775 HydrophobicContact CE2-CG1 4.07Å; F741-R776 HydrophobicContact CD2-CB 4.33Å; F741-R776 HydrophobicContact CE2-CB 4.1Å; F741-E779 HydrophobicContact CB-CG 4.39Å; F741-E779 HydrophobicContact CD1-CB 3.82Å; F741-E779 HydrophobicContact CD1-CG 4.24Å; F741-E779 HydrophobicContact CD2-CB 4.17Å; F741-E779 HydrophobicContact CD2-CG 4Å; F741-E779 HydrophobicContact CE1-CB 3.76Å; F741-E779 HydrophobicContact CE2-CB 4.07Å; F741-E779 HydrophobicContact CE2-CG 4.29Å; F741-E779 HydrophobicContact CG-CB 4.04Å; F741-E779 HydrophobicContact CG-CG 3.96Å; F741-E779 HydrophobicContact CZ-CB 3.85Å; F741-P781 HydrophobicContact CE1-CB 4.34Å; F741-P781 HydrophobicContact CE1-CG 3.87Å
742	P	95.9	Very high	94.6	Very high	3 Å²	3	36 Å²	36	2%	0.019	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-63.7	139.4	173.1	27.2	-34.3	0	0	0	110.5	L663 M665 L730 Y733 M745 P781	L663-P742 CarbonylContact O-C 3.55Å; L663-P742 WeakPolarHBondContact O-CA 3.49Å; L663-P742 WeakPolarHBondContact O-CB 3.49Å; M665-P742 HydrophobicContact CB-CB 3.88Å; M665-P742 HydrophobicContact CB-CG 4.23Å; M665-P742 HydrophobicContact SD-CG 4.5Å; L730-P742 HydrophobicContact CD1-CG 3.73Å; Y733-P742 HydrophobicContact CD1-CG 4.35Å; Y733-P742 HydrophobicContact CE1-CB 3.89Å; Y733-P742 HydrophobicContact CE1-CG 4.2Å; P742-M745 HydrophobicContact CG-CG 4.23Å; P742-P781 WeakPolarHBondContact O-CB 3.44Å
743	T	94.7	Very high	94.2	Very high	60 Å²	60	38.5 Å²	38.5	37%	0.368	20%	0.199	S	C	.	.	S	Bend	trans	-80.4	-27.4	173	57.8	0	0	0	0	111.7	L663 A782	L663-T743 PolarHBondContact N-OG1 3.19Å; L663-T743 PolarHBondContact O-N 2.61Å; L663-T743 PolarHBondContact O-OG1 3.08Å; T743-A782 PolarHBondContact O-N 2.97Å
744	R	95.5	Very high	93.7	Very high	56 Å²	56	40.7 Å²	40.7	21%	0.211	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	143.5	177.4	-50.8	-171.9	-168.4	-169.9	2.8	112.2	E662 L663 I664 M665 A782	E662-R744 IonicContact OE1-CZ 2.81Å; E662-R744 IonicContact OE1-NE 2.76Å; E662-R744 IonicContact OE1-NH2 3.95Å; E662-R744 PolarHBondContact OE1-NH2 2.77Å; E662-R744 IonicContact OE2-NH2 2.76Å; L663-R744 PolarHBondContact O-N 3.42Å; I664-R744 HydrophobicContact CG1-CB 4.39Å; M665-R744 PolarHBondContact N-O 2.95Å; R744-A782 CarbonylContact C-O 3.36Å; R744-A782 VanDerWaalsContact CA-O 3.29Å; R744-A782 WeakPolarHBondContact CA-O 2.93Å; R744-A782 HydrophobicContact CG-CB 4.3Å
745	M	97.6	Very high	93.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	123.1	174.5	-65.5	175.7	74	0	0	110.4	M665 F667 V726 P742 F747 I768 P781 A782 I783 T784	M665-M745 HydrophobicContact CB-CG 4.45Å; M665-M745 WeakPolarHBondContact O-CA 3.44Å; F667-M745 HydrophobicContact CD2-CE 4.39Å; F667-M745 HydrophobicContact CE1-CE 4.42Å; F667-M745 HydrophobicContact CE2-CB 4.19Å; F667-M745 HydrophobicContact CE2-CE 3.31Å; F667-M745 HydrophobicContact CE2-CG 4.2Å; F667-M745 HydrophobicContact CZ-CE 3.32Å; V726-M745 HydrophobicContact CG1-CE 3.83Å; P742-M745 HydrophobicContact CG-CG 4.23Å; M745-F747 HydrophobicContact CB-CE2 4.11Å; M745-F747 HydrophobicContact CE-CE2 4.02Å; M745-F747 HydrophobicContact CE-CZ 4.04Å; M745-I768 HydrophobicContact CE-CG2 4.36Å; M745-P781 HydrophobicContact CG-CB 4.12Å; M745-P781 HydrophobicContact CG-CG 4.03Å; M745-P781 HydrophobicContact SD-CB 4.2Å; M745-P781 HydrophobicContact SD-CG 3.46Å; M745-P781 WeakPolarHBondContact SD-CG 3.38Å; M745-A782 PolarHBondContact N-O 2.81Å; M745-I783 HydrophobicContact CB-CG1 4.45Å; M745-I783 CarbonylContact O-C 3.52Å; M745-I783 WeakPolarHBondContact O-CA 3.39Å; M745-T784 PolarHBondContact O-N 2.75Å
746	I	98	Very high	92.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	120.8	-177	-53.6	169.2	0	0	0	109.5	I664 M665 V666 F667 Y748 T784 I786 W850 F858	I664-I746 HydrophobicContact CG2-CD1 3.82Å; I664-I746 HydrophobicContact CG2-CG1 4.33Å; M665-I746 PolarHBondContact O-N 2.79Å; V666-I746 CarbonylContact C-O 3.56Å; V666-I746 WeakPolarHBondContact CA-O 3.14Å; F667-I746 PolarHBondContact N-O 3.16Å; I746-Y748 HydrophobicContact CG2-CD2 4.28Å; I746-Y748 HydrophobicContact CG2-CE2 3.7Å; I746-T784 CarbonylContact C-O 3.53Å; I746-T784 WeakPolarHBondContact CA-O 3.49Å; I746-I786 HydrophobicContact CG2-CD1 4.1Å; I746-W850 HydrophobicContact CD1-CZ2 3.72Å; I746-F858 HydrophobicContact CD1-CD1 4.03Å; I746-F858 HydrophobicContact CD1-CE1 3.4Å; I746-F858 HydrophobicContact CD1-CZ 3.74Å
747	F	98.3	Very high	92.8	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.018	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	129.7	-179.8	-73.6	-103.7	0	0	0	111.5	F667 V726 M745 I768 I783 T784 Y785 I786	F667-F747 HydrophobicContact CB-CB 4.43Å; F667-F747 HydrophobicContact CB-CD1 3.42Å; F667-F747 VanDerWaalsContact CB-CD1 3.42Å; F667-F747 HydrophobicContact CB-CD2 4.4Å; F667-F747 HydrophobicContact CB-CE1 3.61Å; F667-F747 HydrophobicContact CB-CG 3.84Å; F667-F747 HydrophobicContact CB-CZ 4.19Å; F667-F747 HydrophobicContact CD1-CD1 4.34Å; F667-F747 AromaticContact CD1-CE1 3.63Å; F667-F747 HydrophobicContact CD1-CE1 3.63Å; F667-F747 AromaticContact CD1-CZ 3.84Å; F667-F747 HydrophobicContact CD1-CZ 3.84Å; F667-F747 HydrophobicContact CD2-CD1 4.28Å; F667-F747 HydrophobicContact CD2-CD2 4.05Å; F667-F747 AromaticContact CD2-CE1 3.9Å; F667-F747 HydrophobicContact CD2-CE1 3.9Å; F667-F747 AromaticContact CD2-CE2 3.65Å; F667-F747 HydrophobicContact CD2-CE2 3.65Å; F667-F747 HydrophobicContact CD2-CG 4.34Å; F667-F747 AromaticContact CD2-CZ 3.56Å; F667-F747 HydrophobicContact CD2-CZ 3.56Å; F667-F747 HydrophobicContact CE1-CE1 4.24Å; F667-F747 HydrophobicContact CE1-CZ 4.06Å; F667-F747 HydrophobicContact CE2-CE1 4.49Å; F667-F747 AromaticContact CE2-CE2 3.96Å; F667-F747 HydrophobicContact CE2-CE2 3.96Å; F667-F747 AromaticContact CE2-CZ 3.81Å; F667-F747 HydrophobicContact CE2-CZ 3.81Å; F667-F747 AromaticContact CG-CD1 3.79Å; F667-F747 HydrophobicContact CG-CD1 3.79Å; F667-F747 HydrophobicContact CG-CD2 4.38Å; F667-F747 AromaticContact CG-CE1 3.44Å; F667-F747 HydrophobicContact CG-CE1 3.44Å; F667-F747 VanDerWaalsContact CG-CE1 3.44Å; F667-F747 HydrophobicContact CG-CE2 4.08Å; F667-F747 HydrophobicContact CG-CG 4.24Å; F667-F747 AromaticContact CG-CZ 3.59Å; F667-F747 HydrophobicContact CG-CZ 3.59Å; F667-F747 HydrophobicContact CZ-CZ 4.04Å; V726-F747 HydrophobicContact CG2-CE1 4.22Å; V726-F747 HydrophobicContact CG2-CZ 4.12Å; M745-F747 HydrophobicContact CB-CE2 4.11Å; M745-F747 HydrophobicContact CE-CE2 4.02Å; M745-F747 HydrophobicContact CE-CZ 4.04Å; F747-I768 HydrophobicContact CD1-CD1 4.03Å; F747-I768 HydrophobicContact CD2-CD1 4.11Å; F747-I768 HydrophobicContact CE1-CD1 3.74Å; F747-I768 HydrophobicContact CE1-CG1 4.05Å; F747-I768 HydrophobicContact CE2-CD1 3.82Å; F747-I768 HydrophobicContact CE2-CG1 4.21Å; F747-I768 HydrophobicContact CE2-CG2 3.8Å; F747-I768 HydrophobicContact CG-CD1 4.22Å; F747-I768 HydrophobicContact CZ-CB 4.48Å; F747-I768 HydrophobicContact CZ-CD1 3.63Å; F747-I768 HydrophobicContact CZ-CG1 3.72Å; F747-I768 HydrophobicContact CZ-CG2 3.86Å; F747-I783 HydrophobicContact CD2-CG2 4.48Å; F747-T784 PolarHBondContact N-O 2.75Å; F747-Y785 HydrophobicContact CB-CD2 3.8Å; F747-Y785 HydrophobicContact CB-CE2 4.15Å; F747-Y785 HydrophobicContact CB-CG 4.33Å; F747-Y785 HydrophobicContact CG-CD2 4.16Å; F747-Y785 HydrophobicContact CG-CE2 4.42Å; F747-I786 WeakPolarHBondContact O-CA 3.4Å; F747-I786 WeakPolarHBondContact O-CB 3.4Å; F747-I786 PolarHBondContact O-N 2.84Å
748	Y	98.5	Very high	92.7	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	99.5	168.2	-67.6	-86.7	0	0	0	110.6	V666 F667 G668 A669 I746 I786 V788 Y841 T859 L862 P876 T879	V666-Y748 HydrophobicContact CG1-CD2 3.97Å; V666-Y748 HydrophobicContact CG1-CE2 3.99Å; F667-Y748 PolarHBondContact O-N 2.87Å; G668-Y748 WeakPolarHBondContact CA-O 3.45Å; A669-Y748 PolarHBondContact N-O 3.3Å; A669-Y748 VanDerWaalsContact N-O 3.08Å; I746-Y748 HydrophobicContact CG2-CD2 4.28Å; I746-Y748 HydrophobicContact CG2-CE2 3.7Å; Y748-I786 CarbonylContact C-O 3.57Å; Y748-I786 WeakPolarHBondContact CA-O 3.46Å; Y748-I786 HydrophobicContact CD1-CB 4.11Å; Y748-I786 HydrophobicContact CD1-CD1 4.24Å; Y748-I786 HydrophobicContact CD1-CG2 4.16Å; Y748-I786 HydrophobicContact CE1-CB 4.36Å; Y748-I786 HydrophobicContact CE1-CD1 3.66Å; Y748-I786 HydrophobicContact CE1-CG2 4.29Å; Y748-V788 HydrophobicContact CD1-CG2 3.7Å; Y748-V788 HydrophobicContact CG-CG2 4.33Å; Y748-Y841 HydrophobicContact CD1-CD1 4.38Å; Y748-Y841 HydrophobicContact CD1-CE1 4.37Å; Y748-Y841 HydrophobicContact CE1-CD1 4.23Å; Y748-Y841 HydrophobicContact CE1-CE1 4.25Å; Y748-T859 HydrophobicContact CE1-CG2 3.89Å; Y748-T859 WeakPolarHBondContact OH-CA 3.28Å; Y748-T859 PolarHBondContact OH-OG1 2.92Å; Y748-L862 HydrophobicContact CD2-CD1 4.44Å; Y748-L862 HydrophobicContact CE2-CD1 3.49Å; Y748-L862 VanDerWaalsContact CE2-CD1 3.49Å; Y748-P876 HydrophobicContact CD1-CB 4.48Å; Y748-P876 HydrophobicContact CD1-CG 3.86Å; Y748-P876 HydrophobicContact CD2-CB 4.38Å; Y748-P876 HydrophobicContact CD2-CG 4.48Å; Y748-P876 HydrophobicContact CE1-CG 3.71Å; Y748-P876 HydrophobicContact CE2-CB 4.47Å; Y748-P876 HydrophobicContact CE2-CG 4.35Å; Y748-P876 HydrophobicContact CG-CB 4.37Å; Y748-P876 HydrophobicContact CG-CG 4.24Å; Y748-T879 WeakPolarHBondContact CB-OG1 3.31Å
749	R	96.9	Very high	92.4	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.6	-177.7	-174.9	75.6	-177.1	83.3	14.6	111.5	A669 E717 V752 E764 Y785 I786 V787 V788	A669-R749 PolarHBondContact O-NH1 3.14Å; A669-R749 VanDerWaalsContact O-NH1 3.08Å; E717-R749 PolarHBondContact O-NH2 3.27Å; E717-R749 IonicContact OE2-NH2 3.51Å; R749-V752 HydrophobicContact CG-CG2 3.64Å; R749-E764 IonicContact NE-OE1 2.8Å; R749-E764 IonicContact NE-OE2 3.63Å; R749-Y785 HydrophobicContact CB-CE1 3.97Å; R749-Y785 WeakPolarHBondContact CB-OH 3.49Å; R749-Y785 WeakPolarHBondContact CD-OH 3.31Å; R749-Y785 HydrophobicContact CG-CE1 4.45Å; R749-Y785 VanDerWaalsContact CG-OH 3.27Å; R749-Y785 WeakPolarHBondContact CG-OH 3.47Å; R749-I786 PolarHBondContact N-O 3.08Å; R749-V787 HydrophobicContact CB-CG2 4.35Å; R749-V787 CarbonylContact O-C 3.59Å; R749-V787 WeakPolarHBondContact O-CA 3.47Å; R749-V788 PolarHBondContact O-N 3.01Å
750	D	94.7	Very high	92.2	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	153.5	177.4	-175.3	17.2	0	0	0	112.3	A669 D670 K790 T879	A669-D750 PolarHBondContact O-N 2.95Å; D670-D750 HydrophobicContact CB-CB 4.49Å; D750-K790 VanDerWaalsContact OD1-CE 3.3Å; D750-K790 WeakPolarHBondContact OD1-CE 3.23Å; D750-K790 IonicContact OD1-NZ 2.73Å; D750-K790 WeakPolarHBondContact OD2-CE 3.42Å; D750-K790 IonicContact OD2-NZ 3.9Å; D750-K790 PolarHBondContact OD2-NZ 3.33Å; D750-T879 HydrophobicContact CB-CG2 3.59Å
751	G	84.9	Confident	91.9	Very high	26 Å²	26	27.3 Å²	27.3	27%	0.268	17%	0.166	S	C	.	.	S	Bend	trans	89.6	-3.6	170.4	0	0	0	0	0	116.1
752	V	90.4	Very high	91.6	Very high	3 Å²	3	30 Å²	30	2%	0.018	18%	0.183	C	C	.	.			trans	-86.8	128.2	-175.8	-173.7	0	0	0	0	111.5	R749 Q756 F757 V760 V787 Q789	R749-V752 HydrophobicContact CG-CG2 3.64Å; V752-Q756 HydrophobicContact CG1-CB 3.87Å; V752-F757 HydrophobicContact CG1-CD1 3.87Å; V752-F757 HydrophobicContact CG1-CE1 4.23Å; V752-V760 HydrophobicContact CG1-CB 4.38Å; V752-V760 HydrophobicContact CG1-CG2 3.83Å; V752-V760 HydrophobicContact CG2-CG1 4.45Å; V752-V760 HydrophobicContact CG2-CG2 4.14Å; V752-V787 HydrophobicContact CB-CG1 3.99Å; V752-V787 HydrophobicContact CB-CG2 4.27Å; V752-Q789 PolarHBondContact O-NE2 3.15Å; V752-Q789 VanDerWaalsContact O-NE2 3.12Å
753	S	87.4	Confident	91.4	Very high	59 Å²	59	34.6 Å²	34.6	41%	0.413	20%	0.204	S	C	.	.			trans	-82.2	155.1	173.4	69.1	0	0	0	0	111.9	G755 Q756 F757	S753-G755 VanDerWaalsContact C-N 3.25Å; S753-G755 PolarHBondContact O-N 2.96Å; S753-Q756 PolarHBondContact O-N 3.19Å; S753-Q756 PolarHBondContact OG-OE1 3.47Å; S753-F757 WeakPolarHBondContact O-CD1 3.07Å; S753-F757 WeakPolarHBondContact O-CE1 3.42Å
754	E	85.7	Confident	91.4	Very high	45 Å²	45	31.8 Å²	31.8	21%	0.21	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-52.8	-41.8	-178.8	-68.4	170.4	-158.5	0	0	112.5	R305 Q756 F757	R305-E754 IonicContact NH1-OE1 3.27Å; E754-Q756 PolarHBondContact O-N 3.29Å; E754-F757 HydrophobicContact CB-CE2 4.23Å; E754-F757 HydrophobicContact CB-CZ 4.27Å; E754-F757 HydrophobicContact CG-CE2 3.93Å; E754-F757 HydrophobicContact CG-CZ 3.83Å; E754-F757 WeakPolarHBondContact O-CB 3.48Å; E754-F757 WeakPolarHBondContact O-CG 3.04Å; E754-F757 PolarHBondContact O-N 3.41Å; E754-F757 VanDerWaalsContact O-N 3.12Å
755	G	84.2	Confident	91.2	Very high	75 Å²	75	30 Å²	30	77%	0.773	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-68.5	-1.3	178	0	0	0	0	0	115.5	S753	S753-G755 VanDerWaalsContact C-N 3.25Å; S753-G755 PolarHBondContact O-N 2.96Å
756	Q	87.6	Confident	90.9	Very high	44 Å²	44	30.8 Å²	30.8	21%	0.206	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-115.4	0.8	176.3	-67.6	168.1	-48.5	0	0	112.6	E717 V752 S753 E754 E758 N759 V760	E717-Q756 VanDerWaalsContact CG-NE2 3.33Å; V752-Q756 HydrophobicContact CG1-CB 3.87Å; S753-Q756 PolarHBondContact O-N 3.19Å; S753-Q756 PolarHBondContact OG-OE1 3.47Å; E754-Q756 PolarHBondContact O-N 3.29Å; Q756-E758 VanDerWaalsContact C-N 3.32Å; Q756-E758 PolarHBondContact O-N 2.95Å; Q756-N759 PolarHBondContact O-N 3.02Å; Q756-V760 WeakPolarHBondContact O-CB 3.21Å; Q756-V760 WeakPolarHBondContact O-CG2 3.49Å; Q756-V760 PolarHBondContact O-N 3.39Å
757	F	91.2	Very high	90.8	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.009	19%	0.193	C	C	.	.	H	α-helix	trans	-56.8	-45.8	-177.8	-74.3	-1.1	0	0	0	112	I109 L250 V752 S753 E754 L761 V787 H842 L844	I109-F757 HydrophobicContact CD1-CD2 4.38Å; L250-F757 HydrophobicContact CD2-CB 4.05Å; V752-F757 HydrophobicContact CG1-CD1 3.87Å; V752-F757 HydrophobicContact CG1-CE1 4.23Å; S753-F757 WeakPolarHBondContact O-CD1 3.07Å; S753-F757 WeakPolarHBondContact O-CE1 3.42Å; E754-F757 HydrophobicContact CB-CE2 4.23Å; E754-F757 HydrophobicContact CB-CZ 4.27Å; E754-F757 HydrophobicContact CG-CE2 3.93Å; E754-F757 HydrophobicContact CG-CZ 3.83Å; E754-F757 WeakPolarHBondContact O-CB 3.48Å; E754-F757 WeakPolarHBondContact O-CG 3.04Å; E754-F757 PolarHBondContact O-N 3.41Å; E754-F757 VanDerWaalsContact O-N 3.12Å; F757-L761 WeakPolarHBondContact O-CB 2.97Å; F757-L761 PolarHBondContact O-N 3.35Å; F757-V787 HydrophobicContact CD1-CG2 4.43Å; F757-V787 HydrophobicContact CE1-CB 4.18Å; F757-V787 HydrophobicContact CE1-CG1 3.79Å; F757-V787 HydrophobicContact CE1-CG2 4.3Å; F757-V787 HydrophobicContact CZ-CG1 4.28Å; F757-H842 HydrophobicContact CE2-CB 4.12Å; F757-H842 AromaticContact CE2-CG 3.83Å; F757-H842 AromaticContact CE2-ND1 3.82Å; F757-H842 HydrophobicContact CZ-CB 4.22Å; F757-H842 AromaticContact CZ-CD2 3.82Å; F757-H842 AromaticContact CZ-CG 3.86Å; F757-L844 HydrophobicContact CB-CD1 3.93Å; F757-L844 HydrophobicContact CB-CD2 4.2Å; F757-L844 HydrophobicContact CD1-CD1 4.14Å; F757-L844 HydrophobicContact CD2-CD1 4.5Å; F757-L844 HydrophobicContact CD2-CD2 3.58Å; F757-L844 HydrophobicContact CE2-CD2 4.01Å; F757-L844 HydrophobicContact CG-CD1 3.95Å; F757-L844 HydrophobicContact CG-CD2 3.88Å
758	E	89.1	Confident	90.7	Very high	96 Å²	96	31.1 Å²	31.1	45%	0.449	19%	0.192	S	C	.	.	H	α-helix	trans	-61.5	-52.4	178.9	-176.3	171.9	-161.6	0	0	112	L250 Q756 V760 L761 V762	L250-E758 HydrophobicContact CD1-CB 4.37Å; L250-E758 HydrophobicContact CD2-CB 3.89Å; Q756-E758 VanDerWaalsContact C-N 3.32Å; Q756-E758 PolarHBondContact O-N 2.95Å; E758-V760 VanDerWaalsContact C-N 3.35Å; E758-V760 PolarHBondContact O-N 3.49Å; E758-L761 PolarHBondContact O-N 2.85Å; E758-V762 HydrophobicContact CG-CG2 4.23Å; E758-V762 WeakPolarHBondContact O-CB 3.46Å; E758-V762 VanDerWaalsContact O-CG2 3.29Å; E758-V762 WeakPolarHBondContact O-CG2 3.35Å; E758-V762 PolarHBondContact O-N 3.28Å
759	N	87.4	Confident	90.5	Very high	75 Å²	75	34.9 Å²	34.9	40%	0.401	21%	0.21	S	C	.	.	H	α-helix	trans	-59.7	-45.4	-177.8	-64.2	-8	0	0	0	112	I718 Q756 E763	I718-N759 HydrophobicContact CD1-CB 4.06Å; Q756-N759 PolarHBondContact O-N 3.02Å; N759-E763 WeakPolarHBondContact O-CB 3.45Å; N759-E763 PolarHBondContact O-N 2.92Å; N759-E763 VanDerWaalsContact O-N 3.12Å
760	V	88.6	Confident	90.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.6	-44.1	178.1	169.7	0	0	0	0	110.5	I718 V752 Q756 E758 E764 Y785	I718-V760 HydrophobicContact CG1-CG2 4.41Å; V752-V760 HydrophobicContact CG1-CB 4.38Å; V752-V760 HydrophobicContact CG1-CG2 3.83Å; V752-V760 HydrophobicContact CG2-CG1 4.45Å; V752-V760 HydrophobicContact CG2-CG2 4.14Å; Q756-V760 WeakPolarHBondContact O-CB 3.21Å; Q756-V760 WeakPolarHBondContact O-CG2 3.49Å; Q756-V760 PolarHBondContact O-N 3.39Å; E758-V760 VanDerWaalsContact C-N 3.35Å; E758-V760 PolarHBondContact O-N 3.49Å; V760-E764 HydrophobicContact CG1-CG 4.27Å; V760-E764 WeakPolarHBondContact O-CB 3.42Å; V760-E764 WeakPolarHBondContact O-CG 3.41Å; V760-E764 PolarHBondContact O-N 3.26Å; V760-Y785 HydrophobicContact CG1-CE1 4.15Å; V760-Y785 WeakPolarHBondContact CG1-OH 3.38Å
761	L	88.2	Confident	90.6	Very high	5 Å²	5	40.6 Å²	40.6	3%	0.026	23%	0.231	C	C	.	.	H	α-helix	trans	-64.8	-48.9	-179.3	179.8	57.1	0	0	0	111.7	V107 F757 E758 L765 L844	V107-L761 HydrophobicContact CG1-CB 4.43Å; V107-L761 HydrophobicContact CG1-CD2 3.1Å; V107-L761 HydrophobicContact CG1-CG 3.71Å; F757-L761 WeakPolarHBondContact O-CB 2.97Å; F757-L761 PolarHBondContact O-N 3.35Å; E758-L761 PolarHBondContact O-N 2.85Å; L761-L765 HydrophobicContact CD1-CB 4.04Å; L761-L765 HydrophobicContact CD1-CD2 3.85Å; L761-L765 HydrophobicContact CD1-CG 4.49Å; L761-L765 WeakPolarHBondContact O-CB 3.33Å; L761-L765 PolarHBondContact O-N 3.38Å; L761-L765 VanDerWaalsContact O-N 3.09Å; L761-L844 HydrophobicContact CD1-CB 4.35Å; L761-L844 HydrophobicContact CD2-CB 4.09Å; L761-L844 VanDerWaalsContact CD2-O 3.29Å; L761-L844 WeakPolarHBondContact CD2-O 3.49Å
762	V	89.3	Confident	91.1	Very high	71 Å²	71	39.5 Å²	39.5	43%	0.43	22%	0.219	S	C	.	.	H	α-helix	trans	-59.7	-50.7	180	171.8	0	0	0	0	111.3	V107 E758 A766	V107-V762 HydrophobicContact CB-CG2 4.42Å; V107-V762 HydrophobicContact CG2-CG2 3.59Å; E758-V762 HydrophobicContact CG-CG2 4.23Å; E758-V762 WeakPolarHBondContact O-CB 3.46Å; E758-V762 VanDerWaalsContact O-CG2 3.29Å; E758-V762 WeakPolarHBondContact O-CG2 3.35Å; E758-V762 PolarHBondContact O-N 3.28Å; V762-A766 WeakPolarHBondContact O-CB 3.34Å
763	E	90.4	Very high	91.4	Very high	99 Å²	99	41.9 Å²	41.9	46%	0.463	24%	0.236	S	C	.	.	H	α-helix	trans	-76.7	-46.4	-173.2	-68.3	-169	-149.7	0	0	112.4	I718 N759 A767	I718-E763 HydrophobicContact CD1-CG 4.32Å; I718-E763 VanDerWaalsContact CD1-OE1 3.22Å; I718-E763 WeakPolarHBondContact CD1-OE1 3.33Å; I718-E763 WeakPolarHBondContact CD1-OE2 3.36Å; I718-E763 HydrophobicContact CG2-CB 4.07Å; I718-E763 WeakPolarHBondContact CG2-OE2 3.23Å; N759-E763 WeakPolarHBondContact O-CB 3.45Å; N759-E763 PolarHBondContact O-N 2.92Å; N759-E763 VanDerWaalsContact O-N 3.12Å; E763-A767 WeakPolarHBondContact O-CB 3.37Å; E763-A767 PolarHBondContact O-N 3.32Å
764	E	94.7	Very high	91.8	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-78.5	-38.9	-173.6	-60.2	-173.2	-177.4	0	0	112.3	I718 I719 M722 R749 V760 A767 I768 Y785	I718-E764 HydrophobicContact CG2-CG 4.37Å; I719-E764 PolarHBondContact N-OE1 3.34Å; I719-E764 VanDerWaalsContact N-OE1 3.1Å; M722-E764 HydrophobicContact CE-CB 4.11Å; M722-E764 HydrophobicContact CE-CG 3.96Å; M722-E764 WeakPolarHBondContact CE-OE2 3.29Å; M722-E764 HydrophobicContact CG-CB 4.29Å; R749-E764 IonicContact NE-OE1 2.8Å; R749-E764 IonicContact NE-OE2 3.63Å; V760-E764 HydrophobicContact CG1-CG 4.27Å; V760-E764 WeakPolarHBondContact O-CB 3.42Å; V760-E764 WeakPolarHBondContact O-CG 3.41Å; V760-E764 PolarHBondContact O-N 3.26Å; E764-A767 WeakPolarHBondContact O-CB 3.42Å; E764-A767 PolarHBondContact O-N 3.13Å; E764-I768 WeakPolarHBondContact O-CD1 3.36Å; E764-I768 VanDerWaalsContact O-CG1 3.23Å; E764-I768 WeakPolarHBondContact O-CG1 3.33Å; E764-I768 PolarHBondContact O-N 3.36Å; E764-Y785 HydrophobicContact CB-CE2 4.41Å; E764-Y785 PolarHBondContact OE2-OH 2.99Å
765	L	92.7	Very high	92.3	Very high	18 Å²	18	41.2 Å²	41.2	9%	0.094	23%	0.23	C	C	.	.	H	α-helix	trans	-63.8	-47	179.3	-178.2	64.5	0	0	0	111.7	L761 A767 I768 Q769 I783 Y845	L761-L765 HydrophobicContact CD1-CB 4.04Å; L761-L765 HydrophobicContact CD1-CD2 3.85Å; L761-L765 HydrophobicContact CD1-CG 4.49Å; L761-L765 WeakPolarHBondContact O-CB 3.33Å; L761-L765 PolarHBondContact O-N 3.38Å; L761-L765 VanDerWaalsContact O-N 3.09Å; L765-A767 PolarHBondContact O-N 3.42Å; L765-I768 WeakPolarHBondContact O-CB 3.21Å; L765-I768 PolarHBondContact O-N 2.84Å; L765-I768 VanDerWaalsContact O-N 3.11Å; L765-Q769 WeakPolarHBondContact O-CG 3.17Å; L765-Q769 PolarHBondContact O-N 2.71Å; L765-I783 HydrophobicContact CD1-CB 4.5Å; L765-I783 HydrophobicContact CD1-CD1 4.17Å; L765-I783 HydrophobicContact CD1-CG2 3.85Å; L765-Y845 HydrophobicContact CD1-CD1 3.88Å; L765-Y845 HydrophobicContact CD1-CE1 4.03Å; L765-Y845 HydrophobicContact CD1-CG 4.27Å; L765-Y845 HydrophobicContact CD2-CD1 4.02Å; L765-Y845 HydrophobicContact CD2-CD2 3.47Å; L765-Y845 VanDerWaalsContact CD2-CD2 3.47Å; L765-Y845 HydrophobicContact CD2-CE1 4.12Å; L765-Y845 HydrophobicContact CD2-CE2 3.59Å; L765-Y845 HydrophobicContact CD2-CG 3.68Å
766	A	91.3	Very high	92.8	Very high	17 Å²	17	42 Å²	42	14%	0.14	21%	0.21	C	C	.	.	H	α-helix	trans	-61.3	-34.5	177.1	0	0	0	0	0	111.3	V762 R770	V762-A766 WeakPolarHBondContact O-CB 3.34Å; A766-R770 WeakPolarHBondContact O-CB 3.47Å; A766-R770 WeakPolarHBondContact O-CG 3.49Å; A766-R770 PolarHBondContact O-N 2.94Å
767	A	95.5	Very high	93.1	Very high	12 Å²	12	45.1 Å²	45.1	10%	0.099	23%	0.234	C	C	.	.	H	α-helix	trans	-69.4	-39.1	174.9	0	0	0	0	0	112.6	M722 R723 E763 E764 L765 A771	M722-A767 HydrophobicContact CB-CB 3.79Å; M722-A767 HydrophobicContact CG-CB 4.09Å; R723-A767 WeakPolarHBondContact CA-O 3.33Å; R723-A767 HydrophobicContact CB-CB 4.11Å; E763-A767 WeakPolarHBondContact O-CB 3.37Å; E763-A767 PolarHBondContact O-N 3.32Å; E764-A767 WeakPolarHBondContact O-CB 3.42Å; E764-A767 PolarHBondContact O-N 3.13Å; L765-A767 PolarHBondContact O-N 3.42Å; A767-A771 WeakPolarHBondContact O-CB 3.27Å; A767-A771 PolarHBondContact O-N 3.47Å; A767-A771 VanDerWaalsContact O-N 3.07Å
768	I	96.1	Very high	93.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.1	-51.1	175.1	-68.3	158.1	0	0	0	110.3	M722 V726 M745 F747 E764 L765 R770 A771 C772 I783 Y785	M722-I768 HydrophobicContact CG-CG1 4.02Å; V726-I768 HydrophobicContact CG1-CG2 4.49Å; V726-I768 HydrophobicContact CG2-CG1 3.97Å; M745-I768 HydrophobicContact CE-CG2 4.36Å; F747-I768 HydrophobicContact CD1-CD1 4.03Å; F747-I768 HydrophobicContact CD2-CD1 4.11Å; F747-I768 HydrophobicContact CE1-CD1 3.74Å; F747-I768 HydrophobicContact CE1-CG1 4.05Å; F747-I768 HydrophobicContact CE2-CD1 3.82Å; F747-I768 HydrophobicContact CE2-CG1 4.21Å; F747-I768 HydrophobicContact CE2-CG2 3.8Å; F747-I768 HydrophobicContact CG-CD1 4.22Å; F747-I768 HydrophobicContact CZ-CB 4.48Å; F747-I768 HydrophobicContact CZ-CD1 3.63Å; F747-I768 HydrophobicContact CZ-CG1 3.72Å; F747-I768 HydrophobicContact CZ-CG2 3.86Å; E764-I768 WeakPolarHBondContact O-CD1 3.36Å; E764-I768 VanDerWaalsContact O-CG1 3.23Å; E764-I768 WeakPolarHBondContact O-CG1 3.33Å; E764-I768 PolarHBondContact O-N 3.36Å; L765-I768 WeakPolarHBondContact O-CB 3.21Å; L765-I768 PolarHBondContact O-N 2.84Å; L765-I768 VanDerWaalsContact O-N 3.11Å; I768-R770 PolarHBondContact O-N 2.93Å; I768-A771 VanDerWaalsContact O-CB 3.32Å; I768-A771 WeakPolarHBondContact O-CB 3.15Å; I768-A771 PolarHBondContact O-N 3.27Å; I768-C772 PolarHBondContact O-N 3.45Å; I768-C772 VanDerWaalsContact O-N 3.16Å; I768-C772 PolarHBondContact O-SG 3.35Å; I768-I783 HydrophobicContact CG2-CD1 3.76Å; I768-I783 HydrophobicContact CG2-CG1 4.48Å; I768-Y785 HydrophobicContact CD1-CD2 4.01Å; I768-Y785 HydrophobicContact CD1-CE2 3.99Å
769	Q	94.6	Very high	93.2	Very high	80 Å²	80	47.2 Å²	47.2	37%	0.374	26%	0.264	S	S	.	.	H	α-helix	trans	-58.3	-46.8	-179.8	-72	172.1	-27.7	0	0	111.7	L765 A771 C772 S773 I783	L765-Q769 WeakPolarHBondContact O-CG 3.17Å; L765-Q769 PolarHBondContact O-N 2.71Å; Q769-A771 VanDerWaalsContact C-N 3.26Å; Q769-A771 PolarHBondContact O-N 3.02Å; Q769-C772 WeakPolarHBondContact O-CB 3.37Å; Q769-C772 PolarHBondContact O-N 3.31Å; Q769-S773 PolarHBondContact O-N 2.89Å; Q769-S773 PolarHBondContact O-OG 3.14Å; Q769-I783 HydrophobicContact CG-CD1 3.76Å
770	R	95.6	Very high	93.4	Very high	125 Å²	125	51.9 Å²	51.9	47%	0.472	28%	0.283	S	S	.	.	H	α-helix	trans	-61.8	-33.2	175.9	-69.7	174.4	-165.7	132.4	-2.4	112.8	R723 A766 I768 S773 D774	R723-R770 HydrophobicContact CG-CB 4.29Å; A766-R770 WeakPolarHBondContact O-CB 3.47Å; A766-R770 WeakPolarHBondContact O-CG 3.49Å; A766-R770 PolarHBondContact O-N 2.94Å; I768-R770 PolarHBondContact O-N 2.93Å; R770-S773 PolarHBondContact O-N 3.5Å; R770-D774 WeakPolarHBondContact O-CB 3.38Å; R770-D774 PolarHBondContact O-N 2.97Å
771	A	97.1	Very high	93.7	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-66.9	-37.7	177.1	0	0	0	0	0	112.2	R723 V726 K727 A767 I768 Q769 D774 V775	R723-A771 HydrophobicContact CG-CB 4.19Å; R723-A771 WeakPolarHBondContact O-CB 3.36Å; V726-A771 HydrophobicContact CB-CB 3.72Å; V726-A771 HydrophobicContact CG1-CB 3.68Å; K727-A771 HydrophobicContact CB-CB 4.37Å; A767-A771 WeakPolarHBondContact O-CB 3.27Å; A767-A771 PolarHBondContact O-N 3.47Å; A767-A771 VanDerWaalsContact O-N 3.07Å; I768-A771 VanDerWaalsContact O-CB 3.32Å; I768-A771 WeakPolarHBondContact O-CB 3.15Å; I768-A771 PolarHBondContact O-N 3.27Å; Q769-A771 VanDerWaalsContact C-N 3.26Å; Q769-A771 PolarHBondContact O-N 3.02Å; A771-D774 PolarHBondContact O-N 3.2Å; A771-V775 WeakPolarHBondContact O-CG2 3.39Å; A771-V775 PolarHBondContact O-N 2.98Å
772	C	96.9	Very high	94.1	Very high	3 Å²	3	53.4 Å²	53.4	2%	0.02	30%	0.296	C	S	.	.	H	α-helix	trans	-60.9	-51.7	173.9	-62.5	0	0	0	0	110.6	F741 I768 Q769 D774 V775 R776 P781	F741-C772 HydrophobicContact CZ-CB 4.19Å; I768-C772 PolarHBondContact O-N 3.45Å; I768-C772 VanDerWaalsContact O-N 3.16Å; I768-C772 PolarHBondContact O-SG 3.35Å; Q769-C772 WeakPolarHBondContact O-CB 3.37Å; Q769-C772 PolarHBondContact O-N 3.31Å; C772-D774 VanDerWaalsContact C-N 3.28Å; C772-D774 PolarHBondContact O-N 3.31Å; C772-V775 PolarHBondContact O-N 3.39Å; C772-V775 VanDerWaalsContact O-N 3.1Å; C772-R776 PolarHBondContact O-N 3.01Å; C772-P781 HydrophobicContact CB-CG 4.45Å
773	S	95.5	Very high	94.4	Very high	53 Å²	53	50.2 Å²	50.2	37%	0.371	28%	0.276	S	S	.	.	H	α-helix	trans	-60.5	-35.1	178	-47.1	0	0	0	0	113	Q769 R770 R776 P777	Q769-S773 PolarHBondContact O-N 2.89Å; Q769-S773 PolarHBondContact O-OG 3.14Å; R770-S773 PolarHBondContact O-N 3.5Å; S773-R776 CarbonylContact O-C 3.5Å; S773-P777 WeakPolarHBondContact O-CD 2.77Å
774	D	96.4	Very high	94.8	Very high	57 Å²	57	45.5 Å²	45.5	31%	0.305	25%	0.254	S	S	.	.	H	α-helix	trans	-66.8	-33	176.1	-81	-5.9	0	0	0	113.9	R723 K727 R770 A771 C772	R723-D774 IonicContact CZ-OD1 3.94Å; R723-D774 IonicContact CZ-OD2 3.6Å; R723-D774 IonicContact NE-OD1 3.76Å; R723-D774 IonicContact NE-OD2 3.76Å; R723-D774 PolarHBondContact NE-OD2 3.15Å; R723-D774 IonicContact NH2-OD1 2.68Å; R723-D774 PolarHBondContact NH2-OD1 2.72Å; R723-D774 IonicContact NH2-OD2 2.97Å; R723-D774 PolarHBondContact NH2-OD2 2.94Å; K727-D774 HydrophobicContact CD-CB 4.16Å; R770-D774 WeakPolarHBondContact O-CB 3.38Å; R770-D774 PolarHBondContact O-N 2.97Å; A771-D774 PolarHBondContact O-N 3.2Å; C772-D774 VanDerWaalsContact C-N 3.28Å; C772-D774 PolarHBondContact O-N 3.31Å
775	V	96.5	Very high	94.9	Very high	32 Å²	32	45.5 Å²	45.5	19%	0.194	25%	0.254	C	S	.	.	H	α-helix	trans	-81	-44.9	-179	172.6	0	0	0	0	110.3	K727 L730 Q731 L734 F741 A771 C772	K727-V775 HydrophobicContact CB-CG2 4.25Å; K727-V775 HydrophobicContact CG-CG2 3.71Å; L730-V775 HydrophobicContact CB-CG2 4.42Å; L730-V775 HydrophobicContact CD2-CB 3.81Å; L730-V775 HydrophobicContact CD2-CG1 4.05Å; L730-V775 HydrophobicContact CD2-CG2 3.78Å; L730-V775 HydrophobicContact CG-CB 4.43Å; L730-V775 HydrophobicContact CG-CG1 4.18Å; L730-V775 HydrophobicContact CG-CG2 4.25Å; Q731-V775 HydrophobicContact CG-CG1 4.48Å; Q731-V775 HydrophobicContact CG-CG2 4.22Å; L734-V775 HydrophobicContact CD1-CG1 3.47Å; L734-V775 VanDerWaalsContact CD1-CG1 3.47Å; F741-V775 HydrophobicContact CE2-CB 4.39Å; F741-V775 HydrophobicContact CE2-CG1 4.07Å; A771-V775 WeakPolarHBondContact O-CG2 3.39Å; A771-V775 PolarHBondContact O-N 2.98Å; C772-V775 PolarHBondContact O-N 3.39Å; C772-V775 VanDerWaalsContact O-N 3.1Å
776	R	95.1	Very high	95.2	Very high	91 Å²	91	44.7 Å²	44.7	34%	0.343	25%	0.25	S	C	.	.	S	Bend	trans	-149	109.2	172.8	-168.8	177.5	-56.1	155.4	-5	109.7	G739 F741 C772 S773 G778 E779	G739-R776 PolarHBondContact O-NH2 3.37Å; F741-R776 HydrophobicContact CD2-CB 4.33Å; F741-R776 HydrophobicContact CE2-CB 4.1Å; C772-R776 PolarHBondContact O-N 3.01Å; S773-R776 CarbonylContact O-C 3.5Å; R776-G778 PolarHBondContact O-N 3.48Å; R776-E779 HydrophobicContact CB-CB 4.36Å; R776-E779 HydrophobicContact CB-CG 3.75Å; R776-E779 VanDerWaalsContact CD-CG 3.47Å; R776-E779 WeakPolarHBondContact CD-OE1 3.46Å; R776-E779 HydrophobicContact CG-CG 3.7Å; R776-E779 IonicContact CZ-OE1 3.86Å; R776-E779 IonicContact NH1-OE1 2.9Å; R776-E779 PolarHBondContact NH1-OE1 2.75Å; R776-E779 PolarHBondContact O-N 2.74Å
777	P	93.2	Very high	95.5	Very high	111 Å²	111	43.9 Å²	43.9	72%	0.721	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	137	176.1	-25.9	34.7	0	0	0	111.8	S773 E779	S773-P777 WeakPolarHBondContact O-CD 2.77Å; P777-E779 VanDerWaalsContact C-N 3.33Å
778	G	90.9	Very high	95.6	Very high	75 Å²	75	43.3 Å²	43.3	77%	0.773	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.8	-12.3	-179.3	0	0	0	0	0	115.4	R776	R776-G778 PolarHBondContact O-N 3.48Å
779	E	91.1	Very high	95.6	Very high	67 Å²	67	44.6 Å²	44.6	31%	0.313	25%	0.245	S	C	.	.			trans	-83.7	115	171.1	-63.2	-78.4	-166.3	0	0	110.4	F741 R776 P777	F741-E779 HydrophobicContact CB-CG 4.39Å; F741-E779 HydrophobicContact CD1-CB 3.82Å; F741-E779 HydrophobicContact CD1-CG 4.24Å; F741-E779 HydrophobicContact CD2-CB 4.17Å; F741-E779 HydrophobicContact CD2-CG 4Å; F741-E779 HydrophobicContact CE1-CB 3.76Å; F741-E779 HydrophobicContact CE2-CB 4.07Å; F741-E779 HydrophobicContact CE2-CG 4.29Å; F741-E779 HydrophobicContact CG-CB 4.04Å; F741-E779 HydrophobicContact CG-CG 3.96Å; F741-E779 HydrophobicContact CZ-CB 3.85Å; R776-E779 HydrophobicContact CB-CB 4.36Å; R776-E779 HydrophobicContact CB-CG 3.75Å; R776-E779 VanDerWaalsContact CD-CG 3.47Å; R776-E779 WeakPolarHBondContact CD-OE1 3.46Å; R776-E779 HydrophobicContact CG-CG 3.7Å; R776-E779 IonicContact CZ-OE1 3.86Å; R776-E779 IonicContact NH1-OE1 2.9Å; R776-E779 PolarHBondContact NH1-OE1 2.75Å; R776-E779 PolarHBondContact O-N 2.74Å; P777-E779 VanDerWaalsContact C-N 3.33Å
780	E	91.6	Very high	95.4	Very high	172 Å²	172	43 Å²	43	80%	0.804	24%	0.236	S	C	*	.			trans	-122.4	87.6	178.3	-66.1	-172.5	166.7	0	0	109.7
781	P	95.3	Very high	95	Very high	12 Å²	12	46 Å²	46	8%	0.078	25%	0.248	C	C	.	.			trans	-69.2	147.5	177.9	31.4	-34.7	0	0	0	109.9	F741 P742 M745 C772 I783	F741-P781 HydrophobicContact CE1-CB 4.34Å; F741-P781 HydrophobicContact CE1-CG 3.87Å; P742-P781 WeakPolarHBondContact O-CB 3.44Å; M745-P781 HydrophobicContact CG-CB 4.12Å; M745-P781 HydrophobicContact CG-CG 4.03Å; M745-P781 HydrophobicContact SD-CB 4.2Å; M745-P781 HydrophobicContact SD-CG 3.46Å; M745-P781 WeakPolarHBondContact SD-CG 3.38Å; C772-P781 HydrophobicContact CB-CG 4.45Å; P781-I783 PolarHBondContact O-N 3.38Å
782	A	96	Very high	94.8	Very high	26 Å²	26	46.9 Å²	46.9	22%	0.215	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	129.2	173.2	0	0	0	0	0	110.1	T743 R744 M745 D847 S848	T743-A782 PolarHBondContact O-N 2.97Å; R744-A782 CarbonylContact C-O 3.36Å; R744-A782 VanDerWaalsContact CA-O 3.29Å; R744-A782 WeakPolarHBondContact CA-O 2.93Å; R744-A782 HydrophobicContact CG-CB 4.3Å; M745-A782 PolarHBondContact N-O 2.81Å; A782-D847 HydrophobicContact CB-CB 4.3Å; A782-S848 WeakPolarHBondContact CB-OG 3.11Å
783	I	96.8	Very high	94.6	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.021	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	134.2	-177.1	-62.3	166.3	0	0	0	110.2	M745 F747 L765 I768 Q769 P781 Y845 D846 D847	M745-I783 HydrophobicContact CB-CG1 4.45Å; M745-I783 CarbonylContact O-C 3.52Å; M745-I783 WeakPolarHBondContact O-CA 3.39Å; F747-I783 HydrophobicContact CD2-CG2 4.48Å; L765-I783 HydrophobicContact CD1-CB 4.5Å; L765-I783 HydrophobicContact CD1-CD1 4.17Å; L765-I783 HydrophobicContact CD1-CG2 3.85Å; I768-I783 HydrophobicContact CG2-CD1 3.76Å; I768-I783 HydrophobicContact CG2-CG1 4.48Å; Q769-I783 HydrophobicContact CG-CD1 3.76Å; P781-I783 PolarHBondContact O-N 3.38Å; I783-Y845 HydrophobicContact CB-CD1 4.27Å; I783-Y845 HydrophobicContact CB-CE1 4.1Å; I783-Y845 HydrophobicContact CG2-CD1 4.18Å; I783-Y845 HydrophobicContact CG2-CE1 4.45Å; I783-D846 WeakPolarHBondContact O-CA 3.48Å; I783-D847 PolarHBondContact O-N 3.5Å
784	T	97.6	Very high	94.7	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	122.9	165.7	-50.3	0	0	0	0	108.7	M745 I746 F747 I786 V843 Y845 D846 S848 W850	M745-T784 PolarHBondContact O-N 2.75Å; I746-T784 CarbonylContact C-O 3.53Å; I746-T784 WeakPolarHBondContact CA-O 3.49Å; F747-T784 PolarHBondContact N-O 2.75Å; T784-I786 HydrophobicContact CG2-CD1 4.02Å; T784-I786 HydrophobicContact CG2-CG1 3.94Å; T784-V843 HydrophobicContact CG2-CG1 4.2Å; T784-Y845 CarbonylContact C-O 3.58Å; T784-Y845 WeakPolarHBondContact CA-O 3.48Å; T784-D846 HydrophobicContact CG2-CB 4.32Å; T784-D846 PolarHBondContact OG1-OD1 3.35Å; T784-S848 WeakPolarHBondContact OG1-CB 3.5Å; T784-S848 PolarHBondContact OG1-OG 3.28Å; T784-S848 VanDerWaalsContact OG1-OG 3.11Å; T784-W850 PolarHBondContact OG1-NE1 3.28Å
785	Y	97.5	Very high	94.8	Very high	1 Å²	1	44.8 Å²	44.8	0%	0.004	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	116.8	-178.4	-164.5	-76.2	0	0	0	110.7	F747 R749 V760 E764 I768 V787 L844 Y845	F747-Y785 HydrophobicContact CB-CD2 3.8Å; F747-Y785 HydrophobicContact CB-CE2 4.15Å; F747-Y785 HydrophobicContact CB-CG 4.33Å; F747-Y785 HydrophobicContact CG-CD2 4.16Å; F747-Y785 HydrophobicContact CG-CE2 4.42Å; R749-Y785 HydrophobicContact CB-CE1 3.97Å; R749-Y785 WeakPolarHBondContact CB-OH 3.49Å; R749-Y785 WeakPolarHBondContact CD-OH 3.31Å; R749-Y785 HydrophobicContact CG-CE1 4.45Å; R749-Y785 VanDerWaalsContact CG-OH 3.27Å; R749-Y785 WeakPolarHBondContact CG-OH 3.47Å; V760-Y785 HydrophobicContact CG1-CE1 4.15Å; V760-Y785 WeakPolarHBondContact CG1-OH 3.38Å; E764-Y785 HydrophobicContact CB-CE2 4.41Å; E764-Y785 PolarHBondContact OE2-OH 2.99Å; I768-Y785 HydrophobicContact CD1-CD2 4.01Å; I768-Y785 HydrophobicContact CD1-CE2 3.99Å; Y785-V787 HydrophobicContact CE1-CG2 4.17Å; Y785-L844 HydrophobicContact CD1-CB 4.27Å; Y785-L844 HydrophobicContact CD1-CD1 4.38Å; Y785-L844 HydrophobicContact CE1-CD1 4.44Å; Y785-L844 PolarHBondContact O-N 2.78Å; Y785-Y845 PolarHBondContact N-O 2.76Å; Y785-Y845 PolarHBondContact O-N 2.82Å
786	I	98.1	Very high	94.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.8	-171.5	-50.8	173.8	0	0	0	109.6	I746 F747 Y748 R749 T784 Y841 H842 V843 L855	I746-I786 HydrophobicContact CG2-CD1 4.1Å; F747-I786 WeakPolarHBondContact O-CA 3.4Å; F747-I786 WeakPolarHBondContact O-CB 3.4Å; F747-I786 PolarHBondContact O-N 2.84Å; Y748-I786 CarbonylContact C-O 3.57Å; Y748-I786 WeakPolarHBondContact CA-O 3.46Å; Y748-I786 HydrophobicContact CD1-CB 4.11Å; Y748-I786 HydrophobicContact CD1-CD1 4.24Å; Y748-I786 HydrophobicContact CD1-CG2 4.16Å; Y748-I786 HydrophobicContact CE1-CB 4.36Å; Y748-I786 HydrophobicContact CE1-CD1 3.66Å; Y748-I786 HydrophobicContact CE1-CG2 4.29Å; R749-I786 PolarHBondContact N-O 3.08Å; T784-I786 HydrophobicContact CG2-CD1 4.02Å; T784-I786 HydrophobicContact CG2-CG1 3.94Å; I786-Y841 HydrophobicContact CG2-CD1 4.07Å; I786-H842 CarbonylContact C-O 3.57Å; I786-H842 VanDerWaalsContact CA-O 3.32Å; I786-H842 WeakPolarHBondContact CA-O 3.44Å; I786-V843 HydrophobicContact CG1-CG2 4.35Å; I786-L855 HydrophobicContact CD1-CD1 3.86Å; I786-L855 HydrophobicContact CD1-CD2 4.13Å; I786-L855 HydrophobicContact CD1-CG 4.41Å
787	V	97.4	Very high	95	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	129.8	167.3	172.3	0	0	0	0	109.7	R749 V752 F757 Y785 Q789 Y841 H842 L844	R749-V787 HydrophobicContact CB-CG2 4.35Å; R749-V787 CarbonylContact O-C 3.59Å; R749-V787 WeakPolarHBondContact O-CA 3.47Å; V752-V787 HydrophobicContact CB-CG1 3.99Å; V752-V787 HydrophobicContact CB-CG2 4.27Å; F757-V787 HydrophobicContact CD1-CG2 4.43Å; F757-V787 HydrophobicContact CE1-CB 4.18Å; F757-V787 HydrophobicContact CE1-CG1 3.79Å; F757-V787 HydrophobicContact CE1-CG2 4.3Å; F757-V787 HydrophobicContact CZ-CG1 4.28Å; Y785-V787 HydrophobicContact CE1-CG2 4.17Å; V787-Q789 HydrophobicContact CG1-CG 4.04Å; V787-Y841 WeakPolarHBondContact O-CA 3.4Å; V787-H842 PolarHBondContact N-O 2.92Å; V787-H842 PolarHBondContact O-N 3.13Å; V787-L844 HydrophobicContact CB-CD1 4.38Å; V787-L844 HydrophobicContact CG2-CD1 3.44Å; V787-L844 VanDerWaalsContact CG2-CD1 3.44Å; V787-L844 HydrophobicContact CG2-CG 4.04Å
788	V	98	Very high	95.1	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	111.7	177.4	-172.9	0	0	0	0	109	Y748 R749 A839 Y841 Y875	Y748-V788 HydrophobicContact CD1-CG2 3.7Å; Y748-V788 HydrophobicContact CG-CG2 4.33Å; R749-V788 PolarHBondContact O-N 3.01Å; V788-A839 HydrophobicContact CG1-CB 4.14Å; V788-Y841 HydrophobicContact CG1-CD1 4.38Å; V788-Y841 HydrophobicContact CG1-CE1 3.96Å; V788-Y841 HydrophobicContact CG2-CD1 3.89Å; V788-Y841 HydrophobicContact CG2-CE1 3.86Å; V788-Y875 HydrophobicContact CG1-CG 4.48Å
789	Q	95.7	Very high	95.3	Very high	27 Å²	27	36.8 Å²	36.8	13%	0.126	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	113.5	175.9	-65.5	-171.1	-13.1	0	0	111	V752 V787 H792 H840	V752-Q789 PolarHBondContact O-NE2 3.15Å; V752-Q789 VanDerWaalsContact O-NE2 3.12Å; V787-Q789 HydrophobicContact CG1-CG 4.04Å; Q789-H792 PolarHBondContact O-CD2 2.74Å; Q789-H840 HydrophobicContact CB-CB 4.32Å; Q789-H840 PolarHBondContact N-O 2.6Å; Q789-H840 PolarHBondContact O-N 3.15Å
790	K	91.3	Very high	95.3	Very high	46 Å²	46	37.6 Å²	37.6	20%	0.2	18%	0.182	C	C	.	.			trans	-100.2	-6	178.1	65.5	-172.2	171.9	-168.9	0	114.8	D750 Y875	D750-K790 VanDerWaalsContact OD1-CE 3.3Å; D750-K790 WeakPolarHBondContact OD1-CE 3.23Å; D750-K790 IonicContact OD1-NZ 2.73Å; D750-K790 WeakPolarHBondContact OD2-CE 3.42Å; D750-K790 IonicContact OD2-NZ 3.9Å; D750-K790 PolarHBondContact OD2-NZ 3.33Å; K790-Y875 HydrophobicContact CB-CE1 4.39Å; K790-Y875 HydrophobicContact CD-CE1 3.88Å; K790-Y875 PolarHBondContact NZ-OH 2.79Å
791	R	86.6	Confident	95.1	Very high	188 Å²	188	34.4 Å²	34.4	71%	0.709	18%	0.177	S	C	*	.	S	Bend	trans	-111.1	37.6	-172.6	-61.9	-174.8	-176	144.4	4.1	113
792	H	92.6	Very high	94.8	Very high	19 Å²	19	44.5 Å²	44.5	9%	0.088	21%	0.213	C	C	.	.			trans	-99	170.2	174	63.5	68.6	0	0	0	112.9	Q789 I794 R795 Y825 P838 H840	Q789-H792 PolarHBondContact O-CD2 2.74Å; H792-I794 PolarHBondContact ND1-N 3.06Å; H792-R795 PolarHBondContact O-NH1 2.77Å; H792-R795 PolarHBondContact O-NH2 3.43Å; H792-Y825 AromaticContact CE1-CD1 3.92Å; H792-Y825 AromaticContact CE1-CE1 3.9Å; H792-Y825 AromaticContact NE2-CD1 3.9Å; H792-Y825 AromaticContact NE2-CE1 3.92Å; H792-P838 PolarHBondContact CE1-O 3.27Å; H792-P838 PolarHBondContact NE2-O 2.82Å; H792-H840 PolarHBondContact NE2-N 2.79Å
793	H	94.5	Very high	94.6	Very high	53 Å²	53	44.5 Å²	44.5	25%	0.245	21%	0.214	C	C	.	.			trans	-100	-3.6	-175.3	-71.9	-64.8	0	0	0	114.6	N128 I301 N313 D315 R795	N128-H793 PolarHBondContact ND2-O 3.28Å; I301-H793 WeakPolarHBondContact CD1-CE1 3.27Å; N313-H793 WeakPolarHBondContact OD1-CB 3.49Å; D315-H793 HydrophobicContact CB-CB 3.84Å; D315-H793 IonicContact OD2-CG 2.75Å; D315-H793 IonicContact OD2-ND1 3.96Å; D315-H793 PolarHBondContact OD2-ND1 2.83Å; D315-H793 VanDerWaalsContact OD2-ND1 3.16Å; H793-R795 PolarHBondContact O-N 3.46Å
794	I	97.3	Very high	94.4	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.021	25%	0.248	C	C	.	.			trans	-61.8	130.1	173.1	-58	-57.3	0	0	0	112.2	N128 C129 N313 H792 F796 I816 Y825	N128-I794 WeakPolarHBondContact OD1-CA 3.26Å; C129-I794 VanDerWaalsContact SG-CD1 3.57Å; N313-I794 HydrophobicContact CB-CD1 4.44Å; H792-I794 PolarHBondContact ND1-N 3.06Å; I794-F796 HydrophobicContact CG2-CE1 3.81Å; I794-F796 HydrophobicContact CG2-CE2 4.4Å; I794-F796 HydrophobicContact CG2-CZ 3.71Å; I794-I816 HydrophobicContact CG2-CD1 4.05Å; I794-Y825 HydrophobicContact CB-CD1 4.29Å; I794-Y825 HydrophobicContact CB-CE1 3.8Å; I794-Y825 HydrophobicContact CG1-CE1 3.66Å; I794-Y825 HydrophobicContact CG1-CE2 4.44Å; I794-Y825 WeakPolarHBondContact CG1-OH 3.27Å; I794-Y825 HydrophobicContact CG2-CD1 4.21Å; I794-Y825 HydrophobicContact CG2-CE1 4.09Å
795	R	97.4	Very high	94.3	Very high	12 Å²	12	54.3 Å²	54.3	5%	0.045	25%	0.251	C	S	.	.			trans	-135.3	152.1	174.9	-56.6	-62.8	173.2	-101.6	-13.2	109.5	N128 D315 F461 H792 H793 T835	N128-R795 HydrophobicContact CB-CB 4.5Å; N128-R795 PolarHBondContact N-O 2.83Å; N128-R795 VanDerWaalsContact N-O 3.15Å; N128-R795 PolarHBondContact OD1-N 3.2Å; N128-R795 PolarHBondContact OD1-O 3.43Å; D315-R795 IonicContact OD2-CZ 3.6Å; D315-R795 IonicContact OD2-NE 3.17Å; D315-R795 IonicContact OD2-NH2 3.87Å; D315-R795 PolarHBondContact OD2-NH2 2.85Å; F461-R795 HydrophobicContact CE2-CB 4.38Å; H792-R795 PolarHBondContact O-NH1 2.77Å; H792-R795 PolarHBondContact O-NH2 3.43Å; H793-R795 PolarHBondContact O-N 3.46Å; R795-T835 HydrophobicContact CB-CG2 3.99Å; R795-T835 HydrophobicContact CG-CG2 4.33Å
796	F	98.1	Very high	94.3	Very high	1 Å²	1	54.6 Å²	54.6	0%	0.004	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	141.1	176.8	-57.3	-55.7	0	0	0	111.3	V125 T126 V492 I794 V806 V812 I816 Y825 P838	V125-F796 HydrophobicContact CB-CB 4.3Å; V125-F796 HydrophobicContact CG2-CB 4.25Å; V125-F796 HydrophobicContact CG2-CD1 3.78Å; V125-F796 HydrophobicContact CG2-CE1 4.38Å; V125-F796 HydrophobicContact CG2-CG 4.09Å; T126-F796 CarbonylContact O-C 3.53Å; T126-F796 WeakPolarHBondContact O-CA 3.46Å; V492-F796 HydrophobicContact CG2-CE1 4.48Å; I794-F796 HydrophobicContact CG2-CE1 3.81Å; I794-F796 HydrophobicContact CG2-CE2 4.4Å; I794-F796 HydrophobicContact CG2-CZ 3.71Å; F796-V806 HydrophobicContact CB-CG1 3.64Å; F796-V806 HydrophobicContact CB-CG2 4.35Å; F796-V812 HydrophobicContact CD1-CG2 4.48Å; F796-V812 HydrophobicContact CE1-CB 4.38Å; F796-V812 HydrophobicContact CE1-CG2 3.86Å; F796-V812 HydrophobicContact CE2-CB 4.46Å; F796-V812 HydrophobicContact CE2-CG2 3.94Å; F796-V812 HydrophobicContact CZ-CB 3.87Å; F796-V812 HydrophobicContact CZ-CG1 4.45Å; F796-V812 HydrophobicContact CZ-CG2 3.57Å; F796-I816 HydrophobicContact CE1-CD1 3.47Å; F796-I816 VanDerWaalsContact CE1-CD1 3.47Å; F796-I816 HydrophobicContact CZ-CD1 3.7Å; F796-Y825 HydrophobicContact CZ-CG 4.22Å; F796-P838 HydrophobicContact CD2-CG 3.84Å; F796-P838 HydrophobicContact CE2-CB 4Å; F796-P838 HydrophobicContact CE2-CG 3.5Å; F796-P838 VanDerWaalsContact CE2-CG 3.5Å; F796-P838 HydrophobicContact CZ-CG 4.34Å
797	K	97.5	Very high	94.2	Very high	57 Å²	57	58.8 Å²	58.8	25%	0.248	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	131.5	167.8	178.9	-171.1	65.2	170.8	0	108.4	T126 P457 F461	T126-K797 PolarHBondContact N-O 2.86Å; T126-K797 PolarHBondContact O-N 3.01Å; T126-K797 WeakPolarHBondContact OG1-CE 3.46Å; P457-K797 HydrophobicContact CB-CB 4.1Å; P457-K797 HydrophobicContact CB-CG 4.03Å; F461-K797 HydrophobicContact CB-CD 3.91Å; F461-K797 HydrophobicContact CD1-CB 4.09Å; F461-K797 HydrophobicContact CD1-CD 4.27Å; F461-K797 HydrophobicContact CD2-CB 3.72Å; F461-K797 HydrophobicContact CD2-CD 4.35Å; F461-K797 HydrophobicContact CD2-CG 4.41Å; F461-K797 HydrophobicContact CE1-CB 3.97Å; F461-K797 HydrophobicContact CE2-CB 3.59Å; F461-K797 HydrophobicContact CG-CB 3.94Å; F461-K797 HydrophobicContact CG-CD 3.93Å; F461-K797 HydrophobicContact CG-CG 4.44Å; F461-K797 HydrophobicContact CZ-CB 3.71Å
798	P	96.8	Very high	94.2	Very high	14 Å²	14	59.3 Å²	59.3	9%	0.091	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	147.2	174.9	29.6	-35.5	0	0	0	110.7	D800 A803 V806	P798-D800 VanDerWaalsContact C-N 3.33Å; P798-A803 HydrophobicContact CB-CB 3.78Å; P798-A803 HydrophobicContact CG-CB 3.7Å; P798-V806 HydrophobicContact CB-CG1 4.32Å
799	S	93.9	Very high	94.2	Very high	68 Å²	68	59.3 Å²	59.3	48%	0.476	28%	0.276	S	S	.	.	S	Bend	trans	-68.2	-31.5	174.5	-65.9	0	0	0	0	113	T124 P801	T124-S799 PolarHBondContact O-OG 2.96Å; S799-P801 VanDerWaalsContact O-CD 3.3Å; S799-P801 WeakPolarHBondContact O-CD 3.49Å
800	D	92.3	Very high	94.3	Very high	84 Å²	84	58.1 Å²	58.1	45%	0.449	27%	0.271	S	S	.	.	S	Bend	trans	-73.3	115.6	173.3	179.2	5.3	0	0	0	110.1	P798 R802 A803	P798-D800 VanDerWaalsContact C-N 3.33Å; D800-R802 PolarHBondContact O-N 2.91Å; D800-R802 VanDerWaalsContact OD1-CB 3.31Å; D800-R802 WeakPolarHBondContact OD1-CB 3.23Å; D800-R802 PolarHBondContact OD1-N 3.4Å; D800-A803 HydrophobicContact CB-CB 4.11Å; D800-A803 WeakPolarHBondContact O-CB 3.38Å; D800-A803 PolarHBondContact O-N 3.06Å
801	P	86.4	Confident	94.6	Very high	106 Å²	106	55.9 Å²	55.9	69%	0.688	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-21.2	178.5	27.2	-35.7	0	0	0	113.3	Q458 S799 A803	Q458-P801 PolarHBondContact NE2-O 3.24Å; S799-P801 VanDerWaalsContact O-CD 3.3Å; S799-P801 WeakPolarHBondContact O-CD 3.49Å; P801-A803 VanDerWaalsContact C-N 3.35Å
802	R	89.5	Confident	95.2	Very high	223 Å²	223	47 Å²	47	84%	0.842	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-22	176.6	-58	176.4	179	173.5	0.7	112.3	D800 R804	D800-R802 PolarHBondContact O-N 2.91Å; D800-R802 VanDerWaalsContact OD1-CB 3.31Å; D800-R802 WeakPolarHBondContact OD1-CB 3.23Å; D800-R802 PolarHBondContact OD1-N 3.4Å; R802-R804 PolarHBondContact O-N 2.64Å
803	A	91.9	Very high	95.4	Very high	27 Å²	27	46.3 Å²	46.3	22%	0.223	23%	0.225	C	C	.	.			trans	-70.8	126.6	178.9	0	0	0	0	0	110.6	Q458 P798 D800 P801 N805	Q458-A803 PolarHBondContact NE2-O 2.77Å; P798-A803 HydrophobicContact CB-CB 3.78Å; P798-A803 HydrophobicContact CG-CB 3.7Å; D800-A803 HydrophobicContact CB-CB 4.11Å; D800-A803 WeakPolarHBondContact O-CB 3.38Å; D800-A803 PolarHBondContact O-N 3.06Å; P801-A803 VanDerWaalsContact C-N 3.35Å; A803-N805 VanDerWaalsContact C-N 3.27Å; A803-N805 PolarHBondContact O-N 3.43Å
804	R	92.4	Very high	95.4	Very high	196 Å²	196	44.7 Å²	44.7	74%	0.74	22%	0.218	S	C	*	.	S	Bend	trans	-68.7	-27.7	-180	-66.9	-170.8	-68.5	-167.9	-2	113.1	P457 R802	P457-R804 WeakPolarHBondContact CD-O 3.14Å; R802-R804 PolarHBondContact O-N 2.64Å
805	N	96.1	Very high	95.2	Very high	14 Å²	14	47.2 Å²	47.2	8%	0.075	23%	0.23	C	C	.	.	S	Bend	trans	-159.1	171.7	-178.7	-136.4	-36.8	0	0	0	109.7	A803 G831 G834 S836	A803-N805 VanDerWaalsContact C-N 3.27Å; A803-N805 PolarHBondContact O-N 3.43Å; N805-G831 PolarHBondContact ND2-O 3.44Å; N805-G834 PolarHBondContact ND2-O 2.97Å; N805-S836 PolarHBondContact ND2-N 3.4Å; N805-S836 PolarHBondContact ND2-OG 3.36Å; N805-S836 VanDerWaalsContact OD1-CB 3.31Å; N805-S836 WeakPolarHBondContact OD1-CB 3.49Å; N805-S836 PolarHBondContact OD1-N 3.31Å; N805-S836 VanDerWaalsContact OD1-N 3.07Å; N805-S836 PolarHBondContact OD1-OG 2.83Å
806	V	96.6	Very high	95.1	Very high	6 Å²	6	46.7 Å²	46.7	4%	0.036	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-65.4	149.8	165.1	-64.3	0	0	0	0	110.5	V125 F796 P798 T810 C827	V125-V806 HydrophobicContact CB-CG1 4.49Å; V125-V806 HydrophobicContact CG1-CG1 3.91Å; F796-V806 HydrophobicContact CB-CG1 3.64Å; F796-V806 HydrophobicContact CB-CG2 4.35Å; P798-V806 HydrophobicContact CB-CG1 4.32Å; V806-T810 HydrophobicContact CB-CG2 4.4Å; V806-C827 HydrophobicContact CG2-CB 4.11Å
807	E	95.9	Very high	95	Very high	88 Å²	88	46.8 Å²	46.8	41%	0.411	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-71.1	145.2	-176	-69.9	170.5	72.7	0	0	111.5	R121 V496 G809 T810	R121-E807 IonicContact CZ-OE2 2.7Å; R121-E807 IonicContact NH2-OE1 3.85Å; R121-E807 PolarHBondContact NH2-OE1 2.9Å; R121-E807 IonicContact NH2-OE2 3.37Å; R121-E807 PolarHBondContact NH2-OE2 3.3Å; V496-E807 HydrophobicContact CG1-CB 4Å; V496-E807 HydrophobicContact CG2-CB 4.25Å; E807-G809 PolarHBondContact O-N 3.23Å; E807-T810 PolarHBondContact N-OG1 2.78Å; E807-T810 WeakPolarHBondContact O-CB 3.47Å; E807-T810 PolarHBondContact O-N 2.85Å; E807-T810 PolarHBondContact O-OG1 3.46Å
808	P	97.2	Very high	94.7	Very high	12 Å²	12	44.5 Å²	44.5	8%	0.078	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	130.2	167.2	-18.3	30.2	0	0	0	109.8	A514 C827 D830 Y860	A514-P808 HydrophobicContact CB-CB 4.14Å; A514-P808 HydrophobicContact CB-CG 4.17Å; P808-C827 CarbonylContact C-O 3.44Å; P808-C827 WeakPolarHBondContact CA-O 3.37Å; P808-D830 HydrophobicContact CG-CB 3.93Å; P808-Y860 VanDerWaalsContact C-OH 3.28Å; P808-Y860 PolarHBondContact O-OH 2.85Å; P808-Y860 VanDerWaalsContact O-OH 3.13Å
809	G	97.8	Very high	94.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.6	-2.1	-171	0	0	0	0	0	113.9	L497 E807 V811 C827 Y860	L497-G809 PolarHBondContact N-O 3.1Å; E807-G809 PolarHBondContact O-N 3.23Å; G809-V811 PolarHBondContact O-N 2.83Å; G809-V811 VanDerWaalsContact O-N 3.13Å; G809-C827 PolarHBondContact N-O 2.83Å; G809-Y860 PolarHBondContact N-OH 3.49Å
810	T	98.3	Very high	94.1	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	115.4	170.7	-63.8	0	0	0	0	110.2	V125 A494 R495 V806 E807 C827	V125-T810 HydrophobicContact CG1-CG2 4.17Å; A494-T810 HydrophobicContact CB-CG2 4.23Å; R495-T810 CarbonylContact O-C 3.5Å; R495-T810 VanDerWaalsContact O-CA 3.25Å; R495-T810 WeakPolarHBondContact O-CA 3.24Å; V806-T810 HydrophobicContact CB-CG2 4.4Å; E807-T810 PolarHBondContact N-OG1 2.78Å; E807-T810 WeakPolarHBondContact O-CB 3.47Å; E807-T810 PolarHBondContact O-N 2.85Å; E807-T810 PolarHBondContact O-OG1 3.46Å; T810-C827 PolarHBondContact O-N 2.88Å
811	V	98.6	Very high	94.1	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	136.6	174.7	64.5	0	0	0	0	110	A494 R495 L497 G809 F824 Y825 L826 Q856	A494-V811 WeakPolarHBondContact CA-O 3.5Å; A494-V811 WeakPolarHBondContact CB-O 3.39Å; R495-V811 HydrophobicContact CB-CG1 3.93Å; R495-V811 PolarHBondContact N-O 2.94Å; R495-V811 PolarHBondContact O-N 2.84Å; L497-V811 HydrophobicContact CD1-CB 4.41Å; L497-V811 HydrophobicContact CD1-CG1 4.23Å; L497-V811 HydrophobicContact CD2-CG1 3.83Å; L497-V811 HydrophobicContact CG-CB 4.41Å; L497-V811 HydrophobicContact CG-CG1 3.86Å; G809-V811 PolarHBondContact O-N 2.83Å; G809-V811 VanDerWaalsContact O-N 3.13Å; V811-F824 HydrophobicContact CG2-CB 4.38Å; V811-F824 HydrophobicContact CG2-CD2 4.15Å; V811-Y825 CarbonylContact C-O 3.49Å; V811-Y825 VanDerWaalsContact CA-O 3.31Å; V811-Y825 WeakPolarHBondContact CA-O 3.37Å; V811-Y825 WeakPolarHBondContact CG2-O 3.32Å; V811-L826 HydrophobicContact CB-CD1 3.92Å; V811-L826 HydrophobicContact CG2-CD1 4.41Å; V811-Q856 HydrophobicContact CG2-CG 4.19Å
812	V	98.3	Very high	94.6	Very high	0 Å²	0	36 Å²	36	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	111.1	172.2	-177.2	0	0	0	0	107.6	V125 V492 A494 F796 I816 Y825	V125-V812 HydrophobicContact CG2-CG2 4Å; V492-V812 HydrophobicContact CB-CG1 4.41Å; V492-V812 HydrophobicContact CG2-CG1 3.95Å; V492-V812 HydrophobicContact CG2-CG2 4.24Å; A494-V812 HydrophobicContact CB-CG2 3.76Å; F796-V812 HydrophobicContact CD1-CG2 4.48Å; F796-V812 HydrophobicContact CE1-CB 4.38Å; F796-V812 HydrophobicContact CE1-CG2 3.86Å; F796-V812 HydrophobicContact CE2-CB 4.46Å; F796-V812 HydrophobicContact CE2-CG2 3.94Å; F796-V812 HydrophobicContact CZ-CB 3.87Å; F796-V812 HydrophobicContact CZ-CG1 4.45Å; F796-V812 HydrophobicContact CZ-CG2 3.57Å; V812-I816 HydrophobicContact CB-CD1 4.5Å; V812-I816 HydrophobicContact CG1-CD1 3.82Å; V812-I816 HydrophobicContact CG1-CG1 3.62Å; V812-Y825 PolarHBondContact N-O 3.32Å; V812-Y825 PolarHBondContact O-N 2.9Å
813	D	97.1	Very high	94.9	Very high	6 Å²	6	25.6 Å²	25.6	3%	0.032	12%	0.12	C	C	.	.			trans	-119.4	0.5	-175.8	59.3	-13.9	0	0	0	113	R112 G117 R495 T817 F824 Q856	R112-D813 PolarHBondContact NH1-O 2.88Å; R112-D813 PolarHBondContact NH2-O 3.31Å; G117-D813 PolarHBondContact N-OD2 3.31Å; R495-D813 IonicContact NH2-OD1 3.46Å; R495-D813 IonicContact NH2-OD2 2.84Å; R495-D813 PolarHBondContact NH2-OD2 3.14Å; D813-T817 VanDerWaalsContact C-OG1 3.31Å; D813-T817 PolarHBondContact O-OG1 2.74Å; D813-F824 HydrophobicContact CB-CB 3.7Å; D813-Q856 PolarHBondContact OD2-NE2 3.33Å
814	T	94.7	Very high	95.2	Very high	19 Å²	19	24.3 Å²	24.3	12%	0.117	11%	0.11	C	C	.	.	S	Bend	trans	-129.4	170.4	177.9	60	0	0	0	0	111.7	W308 I816 T817	W308-T814 HydrophobicContact CH2-CG2 4.38Å; W308-T814 HydrophobicContact CZ2-CG2 4.16Å; T814-I816 PolarHBondContact O-N 3.22Å; T814-T817 WeakPolarHBondContact CA-OG1 3.15Å
815	E	93.1	Very high	95.5	Very high	56 Å²	56	15.6 Å²	15.6	26%	0.262	8%	0.077	S	C	.	.	S	Bend	trans	66.4	-52.7	173.9	-54.8	-179.2	-105.3	0	0	115.8	W308 R311 V492 S493	W308-E815 WeakPolarHBondContact CB-O 3.33Å; W308-E815 VanDerWaalsContact CD1-C 3.46Å; W308-E815 VanDerWaalsContact CE2-N 3.27Å; R311-E815 VanDerWaalsContact NH1-C 3.28Å; R311-E815 PolarHBondContact NH1-O 3.49Å; V492-E815 HydrophobicContact CG1-CB 4.18Å; S493-E815 WeakPolarHBondContact CB-OE1 3.46Å; S493-E815 PolarHBondContact N-OE1 3.26Å
816	I	95.2	Very high	95.6	Very high	1 Å²	1	15 Å²	15	1%	0.005	7%	0.073	C	C	.	.	S	Bend	trans	-103.4	7.4	179	57.6	153.5	0	0	0	113.6	Q307 V492 I794 F796 V812 T814 Y825	Q307-I816 VanDerWaalsContact CD-CA 3.49Å; Q307-I816 VanDerWaalsContact CD-O 3.3Å; Q307-I816 PolarHBondContact NE2-O 2.75Å; V492-I816 HydrophobicContact CG1-CG1 4.4Å; V492-I816 HydrophobicContact CG1-CG2 3.66Å; I794-I816 HydrophobicContact CG2-CD1 4.05Å; F796-I816 HydrophobicContact CE1-CD1 3.47Å; F796-I816 VanDerWaalsContact CE1-CD1 3.47Å; F796-I816 HydrophobicContact CZ-CD1 3.7Å; V812-I816 HydrophobicContact CB-CD1 4.5Å; V812-I816 HydrophobicContact CG1-CD1 3.82Å; V812-I816 HydrophobicContact CG1-CG1 3.62Å; T814-I816 PolarHBondContact O-N 3.22Å; I816-Y825 HydrophobicContact CD1-CD2 3.9Å; I816-Y825 HydrophobicContact CD1-CE2 3.98Å; I816-Y825 HydrophobicContact CG1-CD2 4.39Å; I816-Y825 HydrophobicContact CG1-CE2 4.35Å
817	T	94.7	Very high	95.7	Very high	3 Å²	3	14.7 Å²	14.7	2%	0.018	7%	0.072	C	C	.	.	S	Bend	trans	-97.6	-179	174.1	51.2	0	0	0	0	110.7	R112 D813 T814 D823 Y825	R112-T817 PolarHBondContact NH2-OG1 2.77Å; D813-T817 VanDerWaalsContact C-OG1 3.31Å; D813-T817 PolarHBondContact O-OG1 2.74Å; T814-T817 WeakPolarHBondContact CA-OG1 3.15Å; T817-D823 WeakPolarHBondContact CA-OD2 3.43Å; T817-D823 WeakPolarHBondContact CB-OD1 3.49Å; T817-D823 WeakPolarHBondContact CB-OD2 3.46Å; T817-Y825 HydrophobicContact CG2-CD2 4Å; T817-Y825 HydrophobicContact CG2-CE2 4.07Å
818	H	91.9	Very high	95.8	Very high	10 Å²	10	10.5 Å²	10.5	5%	0.046	5%	0.052	C	C	.	.			trans	-66	136.6	169.1	-166.9	-94.4	0	0	0	109.4	R112 F241 A247 R820 E821 D823	R112-H818 PolarHBondContact NH2-O 2.79Å; F241-H818 AromaticContact CZ-NE2 3.83Å; A247-H818 PolarHBondContact O-CE1 3.06Å; H818-R820 PolarHBondContact ND1-N 3.31Å; H818-R820 PolarHBondContact O-N 3.31Å; H818-E821 HydrophobicContact CB-CB 3.88Å; H818-E821 IonicContact CD2-OE2 2.71Å; H818-E821 IonicContact CG-OE2 3.77Å; H818-E821 WeakPolarHBondContact ND1-CB 3.49Å; H818-E821 VanDerWaalsContact ND1-CG 3.3Å; H818-E821 WeakPolarHBondContact ND1-CG 3.38Å; H818-E821 PolarHBondContact ND1-N 3.44Å; H818-E821 IonicContact ND1-OE2 3.9Å; H818-D823 WeakPolarHBondContact CB-OD1 3.28Å; H818-D823 PolarHBondContact N-OD1 2.97Å; H818-D823 PolarHBondContact N-OD2 2.9Å; H818-D823 VanDerWaalsContact N-OD2 3.12Å
819	P	87.3	Confident	95.7	Very high	33 Å²	33	11.3 Å²	11.3	21%	0.214	6%	0.055	C	C	.	.	S	Bend	trans	-64.6	-21.9	-175.9	24	-34.4	0	0	0	114.1	W308	W308-P819 HydrophobicContact CG-CB 4.28Å
820	R	90	Very high	95.4	Very high	54 Å²	54	14.3 Å²	14.3	20%	0.204	7%	0.071	C	C	.	.	S	Bend	trans	-125.9	-28.9	-176	-69.1	178.3	-67	-78.5	-9.5	115	N111 R112 S244 A247 H818	N111-R820 CarbonylContact C-O 3.48Å; N111-R820 WeakPolarHBondContact CA-O 3.43Å; R112-R820 PolarHBondContact N-O 3.33Å; S244-R820 PolarHBondContact O-NH1 3.02Å; S244-R820 PolarHBondContact O-NH2 3.07Å; A247-R820 PolarHBondContact O-NE 3.09Å; A247-R820 PolarHBondContact O-NH2 3.34Å; H818-R820 PolarHBondContact ND1-N 3.31Å; H818-R820 PolarHBondContact O-N 3.31Å
821	E	93.2	Very high	94.9	Very high	4 Å²	4	15.1 Å²	15.1	2%	0.019	8%	0.079	C	C	.	.	B	Isolated β-bridge	trans	-82.7	157.9	-172.9	-72.3	172.9	174.1	0	0	109	I109 R112 T248 S249 H818 D823	I109-E821 HydrophobicContact CB-CG 4.31Å; I109-E821 HydrophobicContact CG2-CB 4.11Å; I109-E821 HydrophobicContact CG2-CG 3.73Å; R112-E821 PolarHBondContact NH2-O 3.36Å; R112-E821 VanDerWaalsContact NH2-O 3.07Å; T248-E821 WeakPolarHBondContact CA-OE1 3.33Å; T248-E821 WeakPolarHBondContact CB-OE1 3.2Å; S249-E821 WeakPolarHBondContact CB-OE2 3.48Å; S249-E821 PolarHBondContact N-OE1 3.47Å; S249-E821 PolarHBondContact OG-OE2 2.94Å; H818-E821 HydrophobicContact CB-CB 3.88Å; H818-E821 IonicContact CD2-OE2 2.71Å; H818-E821 IonicContact CG-OE2 3.77Å; H818-E821 WeakPolarHBondContact ND1-CB 3.49Å; H818-E821 VanDerWaalsContact ND1-CG 3.3Å; H818-E821 WeakPolarHBondContact ND1-CG 3.38Å; H818-E821 PolarHBondContact ND1-N 3.44Å; H818-E821 IonicContact ND1-OE2 3.9Å; E821-D823 PolarHBondContact O-N 2.82Å; E821-D823 VanDerWaalsContact O-N 3.09Å
822	F	95.8	Very high	94.4	Very high	3 Å²	3	19.8 Å²	19.8	1%	0.013	10%	0.103	C	C	.	.			trans	-83.3	87	177.2	-168.2	-173.2	0	0	0	111.2	P110 R112 P113 F824 V843 W850 L855	P110-F822 PolarHBondContact O-N 3.5Å; R112-F822 HydrophobicContact CG-CD2 4.46Å; P113-F822 HydrophobicContact CG-CD1 4.1Å; P113-F822 HydrophobicContact CG-CE1 3.83Å; P113-F822 HydrophobicContact CG-CZ 4.06Å; F822-F824 HydrophobicContact CE2-CD1 4.17Å; F822-F824 HydrophobicContact CE2-CE1 4.45Å; F822-V843 HydrophobicContact CB-CB 4.04Å; F822-V843 HydrophobicContact CB-CG2 4.25Å; F822-V843 HydrophobicContact CD1-CB 3.98Å; F822-V843 HydrophobicContact CD1-CG1 4.23Å; F822-V843 HydrophobicContact CD1-CG2 3.66Å; F822-V843 HydrophobicContact CD2-CG2 4.37Å; F822-V843 HydrophobicContact CE1-CG2 4.06Å; F822-V843 HydrophobicContact CG-CB 4.13Å; F822-V843 HydrophobicContact CG-CG2 3.83Å; F822-V843 WeakPolarHBondContact O-CB 3.23Å; F822-V843 WeakPolarHBondContact O-CG2 3.31Å; F822-V843 PolarHBondContact O-N 3.34Å; F822-W850 HydrophobicContact CE1-CB 4.44Å; F822-L855 HydrophobicContact CD1-CD2 4.42Å; F822-L855 HydrophobicContact CE1-CB 4.44Å; F822-L855 HydrophobicContact CE1-CD2 3.59Å; F822-L855 HydrophobicContact CZ-CB 4.06Å; F822-L855 HydrophobicContact CZ-CD2 3.67Å; F822-L855 HydrophobicContact CZ-CG 4.44Å
823	D	96.6	Very high	93.9	Very high	4 Å²	4	26 Å²	26	2%	0.021	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	155.6	172.5	74	-47.3	0	0	0	112.6	R112 T817 H818 E821 H840 Y841	R112-D823 PolarHBondContact NH1-O 3.25Å; R112-D823 VanDerWaalsContact NH1-O 3.1Å; R112-D823 PolarHBondContact NH2-O 3.03Å; R112-D823 IonicContact NH2-OD1 3.95Å; R112-D823 PolarHBondContact NH2-OD1 3.2Å; T817-D823 WeakPolarHBondContact CA-OD2 3.43Å; T817-D823 WeakPolarHBondContact CB-OD1 3.49Å; T817-D823 WeakPolarHBondContact CB-OD2 3.46Å; H818-D823 WeakPolarHBondContact CB-OD1 3.28Å; H818-D823 PolarHBondContact N-OD1 2.97Å; H818-D823 PolarHBondContact N-OD2 2.9Å; H818-D823 VanDerWaalsContact N-OD2 3.12Å; E821-D823 PolarHBondContact O-N 2.82Å; E821-D823 VanDerWaalsContact O-N 3.09Å; D823-H840 IonicContact OD2-CD2 3.72Å; D823-H840 IonicContact OD2-CE1 3.58Å; D823-H840 IonicContact OD2-NE2 2.66Å; D823-H840 PolarHBondContact OD2-NE2 3.32Å; D823-Y841 WeakPolarHBondContact CA-O 3.19Å; D823-Y841 VanDerWaalsContact CB-O 3.3Å; D823-Y841 WeakPolarHBondContact CB-O 3.13Å
824	F	98.3	Very high	93.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	151.6	178.7	61.1	-86.7	0	0	0	112.8	V811 D813 F822 L826 H840 Y841 L855 Q856 T859	V811-F824 HydrophobicContact CG2-CB 4.38Å; V811-F824 HydrophobicContact CG2-CD2 4.15Å; D813-F824 HydrophobicContact CB-CB 3.7Å; F822-F824 HydrophobicContact CE2-CD1 4.17Å; F822-F824 HydrophobicContact CE2-CE1 4.45Å; F824-L826 HydrophobicContact CD2-CB 4.23Å; F824-L826 HydrophobicContact CE2-CB 4.26Å; F824-H840 PolarHBondContact O-CD2 2.77Å; F824-Y841 AromaticContact CD2-CD2 3.81Å; F824-Y841 HydrophobicContact CD2-CD2 3.81Å; F824-Y841 HydrophobicContact CD2-CG 4.27Å; F824-Y841 HydrophobicContact CE1-CG 4.38Å; F824-Y841 HydrophobicContact CE2-CD1 4.46Å; F824-Y841 AromaticContact CE2-CD2 3.42Å; F824-Y841 HydrophobicContact CE2-CD2 3.42Å; F824-Y841 VanDerWaalsContact CE2-CD2 3.42Å; F824-Y841 HydrophobicContact CE2-CE2 4.13Å; F824-Y841 AromaticContact CE2-CG 3.64Å; F824-Y841 HydrophobicContact CE2-CG 3.64Å; F824-Y841 HydrophobicContact CZ-CD1 4.33Å; F824-Y841 HydrophobicContact CZ-CD2 4.01Å; F824-Y841 AromaticContact CZ-CG 3.7Å; F824-Y841 HydrophobicContact CZ-CG 3.7Å; F824-Y841 PolarHBondContact N-O 3.4Å; F824-Y841 PolarHBondContact O-N 2.97Å; F824-L855 HydrophobicContact CE1-CD2 4.33Å; F824-Q856 HydrophobicContact CD1-CG 4.02Å; F824-Q856 HydrophobicContact CD2-CG 3.91Å; F824-Q856 HydrophobicContact CE1-CG 4.08Å; F824-Q856 HydrophobicContact CE2-CG 3.96Å; F824-Q856 HydrophobicContact CG-CG 3.94Å; F824-Q856 HydrophobicContact CZ-CG 4.05Å; F824-T859 HydrophobicContact CE2-CG2 4.42Å; F824-T859 HydrophobicContact CZ-CG2 4.38Å
825	Y	98.5	Very high	93.7	Very high	13 Å²	13	25.8 Å²	25.8	5%	0.051	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	134.8	168.4	-64.6	-86.5	0	0	0	110	H792 I794 F796 V811 V812 I816 T817 P838 A839 H840	H792-Y825 AromaticContact CE1-CD1 3.92Å; H792-Y825 AromaticContact CE1-CE1 3.9Å; H792-Y825 AromaticContact NE2-CD1 3.9Å; H792-Y825 AromaticContact NE2-CE1 3.92Å; I794-Y825 HydrophobicContact CB-CD1 4.29Å; I794-Y825 HydrophobicContact CB-CE1 3.8Å; I794-Y825 HydrophobicContact CG1-CE1 3.66Å; I794-Y825 HydrophobicContact CG1-CE2 4.44Å; I794-Y825 WeakPolarHBondContact CG1-OH 3.27Å; I794-Y825 HydrophobicContact CG2-CD1 4.21Å; I794-Y825 HydrophobicContact CG2-CE1 4.09Å; F796-Y825 HydrophobicContact CZ-CG 4.22Å; V811-Y825 CarbonylContact C-O 3.49Å; V811-Y825 VanDerWaalsContact CA-O 3.31Å; V811-Y825 WeakPolarHBondContact CA-O 3.37Å; V811-Y825 WeakPolarHBondContact CG2-O 3.32Å; V812-Y825 PolarHBondContact N-O 3.32Å; V812-Y825 PolarHBondContact O-N 2.9Å; I816-Y825 HydrophobicContact CD1-CD2 3.9Å; I816-Y825 HydrophobicContact CD1-CE2 3.98Å; I816-Y825 HydrophobicContact CG1-CD2 4.39Å; I816-Y825 HydrophobicContact CG1-CE2 4.35Å; T817-Y825 HydrophobicContact CG2-CD2 4Å; T817-Y825 HydrophobicContact CG2-CE2 4.07Å; Y825-P838 HydrophobicContact CD1-CB 4.38Å; Y825-P838 HydrophobicContact CD1-CG 4.37Å; Y825-A839 WeakPolarHBondContact CA-O 3.38Å; Y825-H840 HydrophobicContact CD1-CB 3.68Å; Y825-H840 AromaticContact CD1-CG 3.84Å; Y825-H840 HydrophobicContact CE1-CB 3.48Å; Y825-H840 VanDerWaalsContact CE1-CB 3.48Å; Y825-H840 AromaticContact CE1-CD2 3.91Å; Y825-H840 AromaticContact CE1-CG 3.36Å; Y825-H840 AromaticContact CE1-ND1 3.5Å; Y825-H840 AromaticContact CE2-NE2 3.96Å; Y825-H840 AromaticContact CZ-CD2 3.83Å; Y825-H840 AromaticContact CZ-CE1 3.57Å; Y825-H840 AromaticContact CZ-CG 3.6Å; Y825-H840 AromaticContact CZ-ND1 3.41Å; Y825-H840 AromaticContact CZ-NE2 3.8Å; Y825-H840 PolarHBondContact OH-CE1 2.86Å; Y825-H840 VanDerWaalsContact OH-CE1 3.24Å; Y825-H840 PolarHBondContact OH-ND1 2.87Å
826	L	98.6	Very high	93.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	123.4	175.9	178.6	69.5	0	0	0	110.9	L497 V811 F824 S828 P838 A839 Y841 T859 Y860	L497-L826 HydrophobicContact CD1-CD1 4.23Å; V811-L826 HydrophobicContact CB-CD1 3.92Å; V811-L826 HydrophobicContact CG2-CD1 4.41Å; F824-L826 HydrophobicContact CD2-CB 4.23Å; F824-L826 HydrophobicContact CE2-CB 4.26Å; L826-S828 WeakPolarHBondContact CD2-OG 3.38Å; L826-S828 VanDerWaalsContact CG-OG 3.31Å; L826-S828 WeakPolarHBondContact CG-OG 3.36Å; L826-P838 WeakPolarHBondContact O-CA 3.45Å; L826-A839 PolarHBondContact N-O 3.41Å; L826-A839 PolarHBondContact O-N 2.98Å; L826-Y841 HydrophobicContact CB-CD2 4.3Å; L826-Y841 HydrophobicContact CB-CE2 3.75Å; L826-Y841 HydrophobicContact CD2-CE2 4.48Å; L826-T859 HydrophobicContact CD2-CG2 4.18Å; L826-Y860 HydrophobicContact CD1-CD2 4.46Å; L826-Y860 HydrophobicContact CD2-CD2 4.36Å
827	C	97.9	Very high	93.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	88.1	168.5	-77.7	0	0	0	0	109.1	V806 P808 G809 T810 P838	V806-C827 HydrophobicContact CG2-CB 4.11Å; P808-C827 CarbonylContact C-O 3.44Å; P808-C827 WeakPolarHBondContact CA-O 3.37Å; G809-C827 PolarHBondContact N-O 2.83Å; T810-C827 PolarHBondContact O-N 2.88Å; C827-P838 VanDerWaalsContact SG-CB 3.54Å
828	S	97.7	Very high	94	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.			trans	-81.2	-19.1	-174.7	-56.4	0	0	0	0	114.7	L826 C863 S872 V873	L826-S828 WeakPolarHBondContact CD2-OG 3.38Å; L826-S828 VanDerWaalsContact CG-OG 3.31Å; L826-S828 WeakPolarHBondContact CG-OG 3.36Å; S828-C863 VanDerWaalsContact CB-SG 3.56Å; S828-C863 PolarHBondContact OG-SG 2.92Å; S828-S872 VanDerWaalsContact O-CB 3.24Å; S828-S872 WeakPolarHBondContact O-CB 3.47Å; S828-S872 PolarHBondContact O-OG 3.32Å; S828-V873 WeakPolarHBondContact CB-O 3.41Å
829	Q	95.4	Very high	94.2	Very high	30 Å²	30	28.1 Å²	28.1	14%	0.14	14%	0.143	C	C	.	.	S	Bend	trans	-111.9	157.6	-169.3	78.1	-73.5	14.3	0	0	113.4	G831 K837 S872 S874	Q829-G831 PolarHBondContact O-N 3Å; Q829-K837 PolarHBondContact NE2-O 2.82Å; Q829-S872 WeakPolarHBondContact CB-O 3.28Å; Q829-S874 VanDerWaalsContact NE2-CB 3.29Å; Q829-S874 VanDerWaalsContact OE1-CA 3.23Å
830	D	92	Very high	94.8	Very high	63 Å²	63	27 Å²	27	34%	0.337	14%	0.135	S	C	.	.			trans	-79	116.4	168.3	-179.1	24.4	0	0	0	111.1	P808 I832	P808-D830 HydrophobicContact CG-CB 3.93Å; D830-I832 PolarHBondContact O-N 2.86Å
831	G	88.8	Confident	95.2	Very high	18 Å²	18	24.4 Å²	24.4	19%	0.186	13%	0.125	C	C	.	.			trans	-78	79.4	178.2	0	0	0	0	0	112.1	N805 Q829 Q833 S836	N805-G831 PolarHBondContact ND2-O 3.44Å; Q829-G831 PolarHBondContact O-N 3Å; G831-Q833 PolarHBondContact O-N 2.79Å; G831-S836 WeakPolarHBondContact CA-OG 3.42Å; G831-S836 PolarHBondContact N-OG 3.16Å
832	I	87.1	Confident	95.3	Very high	98 Å²	98	24.6 Å²	24.6	50%	0.503	13%	0.126	S	C	.	.			trans	-54.6	-38.6	-178.2	-58.3	177.2	0	0	0	112.4	P35 D830	P35-I832 HydrophobicContact CB-CD1 4.14Å; P35-I832 HydrophobicContact CG-CD1 3.72Å; D830-I832 PolarHBondContact O-N 2.86Å
833	Q	87.7	Confident	95.4	Very high	131 Å²	131	24.5 Å²	24.5	61%	0.612	13%	0.126	S	C	*	.	S	Bend	trans	-135.7	134.8	-177.3	-160.7	-170.8	-25.8	0	0	110.6	A454 G831	A454-Q833 HydrophobicContact CB-CG 3.95Å; A454-Q833 VanDerWaalsContact CB-NE2 3.25Å; G831-Q833 PolarHBondContact O-N 2.79Å
834	G	93.5	Very high	95.3	Very high	9 Å²	9	24.4 Å²	24.4	9%	0.093	13%	0.125	C	C	.	.	S	Bend	trans	71.9	-160.8	-178.9	0	0	0	0	0	113.5	V455 N805	V455-G834 CarbonylContact O-C 3.48Å; V455-G834 VanDerWaalsContact O-C 3.3Å; V455-G834 VanDerWaalsContact O-CA 3.25Å; V455-G834 WeakPolarHBondContact O-CA 3.42Å; N805-G834 PolarHBondContact ND2-O 2.97Å
835	T	95.2	Very high	95.2	Very high	11 Å²	11	26.9 Å²	26.9	7%	0.067	14%	0.135	C	C	.	.	S	Bend	trans	-87.3	133.2	178.2	-52.7	0	0	0	0	110.1	V455 P457 R460 R795	V455-T835 PolarHBondContact O-N 3.26Å; V455-T835 PolarHBondContact O-OG1 3.47Å; P457-T835 HydrophobicContact CB-CG2 4.32Å; P457-T835 HydrophobicContact CG-CG2 4.11Å; R460-T835 WeakPolarHBondContact CD-OG1 3.37Å; R460-T835 PolarHBondContact NE-OG1 3.41Å; R795-T835 HydrophobicContact CB-CG2 3.99Å; R795-T835 HydrophobicContact CG-CG2 4.33Å
836	S	95.1	Very high	95.1	Very high	4 Å²	4	27.7 Å²	27.7	3%	0.028	14%	0.14	C	C	.	.			trans	-60.6	141.4	177.3	-77	0	0	0	0	110.8	N805 G831	N805-S836 PolarHBondContact ND2-N 3.4Å; N805-S836 PolarHBondContact ND2-OG 3.36Å; N805-S836 VanDerWaalsContact OD1-CB 3.31Å; N805-S836 WeakPolarHBondContact OD1-CB 3.49Å; N805-S836 PolarHBondContact OD1-N 3.31Å; N805-S836 VanDerWaalsContact OD1-N 3.07Å; N805-S836 PolarHBondContact OD1-OG 2.83Å; G831-S836 WeakPolarHBondContact CA-OG 3.42Å; G831-S836 PolarHBondContact N-OG 3.16Å
837	K	95.2	Very high	94.9	Very high	111 Å²	111	31.1 Å²	31.1	48%	0.483	16%	0.158	S	C	.	.			trans	-106.8	111.7	175.2	-61.7	-174.8	-178	-179	0	107.7	Q829	Q829-K837 PolarHBondContact NE2-O 2.82Å
838	P	97.6	Very high	94.6	Very high	4 Å²	4	31.6 Å²	31.6	3%	0.026	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-64.3	160.1	169.7	15.7	-12.4	0	0	0	109.5	H792 F796 Y825 L826 C827	H792-P838 PolarHBondContact CE1-O 3.27Å; H792-P838 PolarHBondContact NE2-O 2.82Å; F796-P838 HydrophobicContact CD2-CG 3.84Å; F796-P838 HydrophobicContact CE2-CB 4Å; F796-P838 HydrophobicContact CE2-CG 3.5Å; F796-P838 VanDerWaalsContact CE2-CG 3.5Å; F796-P838 HydrophobicContact CZ-CG 4.34Å; Y825-P838 HydrophobicContact CD1-CB 4.38Å; Y825-P838 HydrophobicContact CD1-CG 4.37Å; L826-P838 WeakPolarHBondContact O-CA 3.45Å; C827-P838 VanDerWaalsContact SG-CB 3.54Å
839	A	97.8	Very high	94.3	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	145.9	157.3	0	0	0	0	0	108.8	V788 Y825 L826 Y841	V788-A839 HydrophobicContact CG1-CB 4.14Å; Y825-A839 WeakPolarHBondContact CA-O 3.38Å; L826-A839 PolarHBondContact N-O 3.41Å; L826-A839 PolarHBondContact O-N 2.98Å; A839-Y841 HydrophobicContact CB-CE2 3.61Å; A839-Y841 WeakPolarHBondContact O-CD2 3.29Å; A839-Y841 WeakPolarHBondContact O-CE2 3.43Å
840	H	98	Very high	94.3	Very high	9 Å²	9	38.3 Å²	38.3	4%	0.042	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	125.9	175.3	-169.8	-174.5	0	0	0	109	Q789 H792 D823 F824 Y825 H842	Q789-H840 HydrophobicContact CB-CB 4.32Å; Q789-H840 PolarHBondContact N-O 2.6Å; Q789-H840 PolarHBondContact O-N 3.15Å; H792-H840 PolarHBondContact NE2-N 2.79Å; D823-H840 IonicContact OD2-CD2 3.72Å; D823-H840 IonicContact OD2-CE1 3.58Å; D823-H840 IonicContact OD2-NE2 2.66Å; D823-H840 PolarHBondContact OD2-NE2 3.32Å; F824-H840 PolarHBondContact O-CD2 2.77Å; Y825-H840 HydrophobicContact CD1-CB 3.68Å; Y825-H840 AromaticContact CD1-CG 3.84Å; Y825-H840 HydrophobicContact CE1-CB 3.48Å; Y825-H840 VanDerWaalsContact CE1-CB 3.48Å; Y825-H840 AromaticContact CE1-CD2 3.91Å; Y825-H840 AromaticContact CE1-CG 3.36Å; Y825-H840 AromaticContact CE1-ND1 3.5Å; Y825-H840 AromaticContact CE2-NE2 3.96Å; Y825-H840 AromaticContact CZ-CD2 3.83Å; Y825-H840 AromaticContact CZ-CE1 3.57Å; Y825-H840 AromaticContact CZ-CG 3.6Å; Y825-H840 AromaticContact CZ-ND1 3.41Å; Y825-H840 AromaticContact CZ-NE2 3.8Å; Y825-H840 PolarHBondContact OH-CE1 2.86Å; Y825-H840 VanDerWaalsContact OH-CE1 3.24Å; Y825-H840 PolarHBondContact OH-ND1 2.87Å; H840-H842 AromaticContact CD2-NE2 3.83Å; H840-H842 AromaticContact CE1-CE1 3.21Å; H840-H842 PolarHBondContact CE1-CE1 2.95Å; H840-H842 AromaticContact CE1-NE2 3.14Å; H840-H842 PolarHBondContact CE1-NE2 2.79Å; H840-H842 AromaticContact CG-NE2 3.66Å; H840-H842 AromaticContact ND1-CE1 3.84Å; H840-H842 AromaticContact ND1-NE2 3.27Å; H840-H842 PolarHBondContact ND1-NE2 3.18Å; H840-H842 AromaticContact NE2-CE1 3.48Å; H840-H842 PolarHBondContact NE2-CE1 3.05Å; H840-H842 AromaticContact NE2-NE2 3.52Å
841	Y	98.4	Very high	94.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	125.7	-177.2	-59.7	-96.7	0	0	0	108.3	Y748 I786 V787 V788 D823 F824 L826 A839 T859 Y875 P876	Y748-Y841 HydrophobicContact CD1-CD1 4.38Å; Y748-Y841 HydrophobicContact CD1-CE1 4.37Å; Y748-Y841 HydrophobicContact CE1-CD1 4.23Å; Y748-Y841 HydrophobicContact CE1-CE1 4.25Å; I786-Y841 HydrophobicContact CG2-CD1 4.07Å; V787-Y841 WeakPolarHBondContact O-CA 3.4Å; V788-Y841 HydrophobicContact CG1-CD1 4.38Å; V788-Y841 HydrophobicContact CG1-CE1 3.96Å; V788-Y841 HydrophobicContact CG2-CD1 3.89Å; V788-Y841 HydrophobicContact CG2-CE1 3.86Å; D823-Y841 WeakPolarHBondContact CA-O 3.19Å; D823-Y841 VanDerWaalsContact CB-O 3.3Å; D823-Y841 WeakPolarHBondContact CB-O 3.13Å; F824-Y841 AromaticContact CD2-CD2 3.81Å; F824-Y841 HydrophobicContact CD2-CD2 3.81Å; F824-Y841 HydrophobicContact CD2-CG 4.27Å; F824-Y841 HydrophobicContact CE1-CG 4.38Å; F824-Y841 HydrophobicContact CE2-CD1 4.46Å; F824-Y841 AromaticContact CE2-CD2 3.42Å; F824-Y841 HydrophobicContact CE2-CD2 3.42Å; F824-Y841 VanDerWaalsContact CE2-CD2 3.42Å; F824-Y841 HydrophobicContact CE2-CE2 4.13Å; F824-Y841 AromaticContact CE2-CG 3.64Å; F824-Y841 HydrophobicContact CE2-CG 3.64Å; F824-Y841 HydrophobicContact CZ-CD1 4.33Å; F824-Y841 HydrophobicContact CZ-CD2 4.01Å; F824-Y841 AromaticContact CZ-CG 3.7Å; F824-Y841 HydrophobicContact CZ-CG 3.7Å; F824-Y841 PolarHBondContact N-O 3.4Å; F824-Y841 PolarHBondContact O-N 2.97Å; L826-Y841 HydrophobicContact CB-CD2 4.3Å; L826-Y841 HydrophobicContact CB-CE2 3.75Å; L826-Y841 HydrophobicContact CD2-CE2 4.48Å; A839-Y841 HydrophobicContact CB-CE2 3.61Å; A839-Y841 WeakPolarHBondContact O-CD2 3.29Å; A839-Y841 WeakPolarHBondContact O-CE2 3.43Å; Y841-T859 HydrophobicContact CD1-CG2 3.91Å; Y841-T859 HydrophobicContact CE1-CG2 3.44Å; Y841-T859 VanDerWaalsContact CE1-CG2 3.44Å; Y841-T859 HydrophobicContact CE2-CG2 4.43Å; Y841-Y875 WeakPolarHBondContact OH-CA 3.45Å; Y841-Y875 WeakPolarHBondContact OH-CB 3.23Å; Y841-P876 HydrophobicContact CE1-CG 4.19Å; Y841-P876 VanDerWaalsContact OH-CD 3.28Å; Y841-P876 WeakPolarHBondContact OH-CD 3.3Å
842	H	97.1	Very high	94.9	Very high	8 Å²	8	37 Å²	37	4%	0.037	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	117.2	172.3	-62.5	-98.7	0	0	0	108.7	F757 I786 V787 H840 L844	F757-H842 HydrophobicContact CE2-CB 4.12Å; F757-H842 AromaticContact CE2-CG 3.83Å; F757-H842 AromaticContact CE2-ND1 3.82Å; F757-H842 HydrophobicContact CZ-CB 4.22Å; F757-H842 AromaticContact CZ-CD2 3.82Å; F757-H842 AromaticContact CZ-CG 3.86Å; I786-H842 CarbonylContact C-O 3.57Å; I786-H842 VanDerWaalsContact CA-O 3.32Å; I786-H842 WeakPolarHBondContact CA-O 3.44Å; V787-H842 PolarHBondContact N-O 2.92Å; V787-H842 PolarHBondContact O-N 3.13Å; H840-H842 AromaticContact CD2-NE2 3.83Å; H840-H842 AromaticContact CE1-CE1 3.21Å; H840-H842 PolarHBondContact CE1-CE1 2.95Å; H840-H842 AromaticContact CE1-NE2 3.14Å; H840-H842 PolarHBondContact CE1-NE2 2.79Å; H840-H842 AromaticContact CG-NE2 3.66Å; H840-H842 AromaticContact ND1-CE1 3.84Å; H840-H842 AromaticContact ND1-NE2 3.27Å; H840-H842 PolarHBondContact ND1-NE2 3.18Å; H840-H842 AromaticContact NE2-CE1 3.48Å; H840-H842 PolarHBondContact NE2-CE1 3.05Å; H840-H842 AromaticContact NE2-NE2 3.52Å; H842-L844 HydrophobicContact CB-CD2 4.02Å; H842-L844 PolarHBondContact O-N 2.62Å
843	V	97	Very high	95.5	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	108.4	171.6	-174	0	0	0	0	107.4	P110 T784 I786 F822 D846 L855	P110-V843 WeakPolarHBondContact CD-O 3.38Å; P110-V843 HydrophobicContact CG-CB 4.44Å; P110-V843 HydrophobicContact CG-CG1 4.01Å; P110-V843 WeakPolarHBondContact CG-O 3.41Å; T784-V843 HydrophobicContact CG2-CG1 4.2Å; I786-V843 HydrophobicContact CG1-CG2 4.35Å; F822-V843 HydrophobicContact CB-CB 4.04Å; F822-V843 HydrophobicContact CB-CG2 4.25Å; F822-V843 HydrophobicContact CD1-CB 3.98Å; F822-V843 HydrophobicContact CD1-CG1 4.23Å; F822-V843 HydrophobicContact CD1-CG2 3.66Å; F822-V843 HydrophobicContact CD2-CG2 4.37Å; F822-V843 HydrophobicContact CE1-CG2 4.06Å; F822-V843 HydrophobicContact CG-CB 4.13Å; F822-V843 HydrophobicContact CG-CG2 3.83Å; F822-V843 WeakPolarHBondContact O-CB 3.23Å; F822-V843 WeakPolarHBondContact O-CG2 3.31Å; F822-V843 PolarHBondContact O-N 3.34Å; V843-D846 HydrophobicContact CG1-CB 3.93Å; V843-L855 HydrophobicContact CG2-CD2 3.53Å
844	L	95.4	Very high	95.8	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-22.6	-179	-59.6	-167.7	0	0	0	112.2	I109 P110 F757 L761 Y785 V787 H842	I109-L844 HydrophobicContact CD1-CD2 4.16Å; I109-L844 HydrophobicContact CG1-CD2 4.4Å; P110-L844 VanDerWaalsContact CD-C 3.43Å; P110-L844 WeakPolarHBondContact CD-O 3.38Å; F757-L844 HydrophobicContact CB-CD1 3.93Å; F757-L844 HydrophobicContact CB-CD2 4.2Å; F757-L844 HydrophobicContact CD1-CD1 4.14Å; F757-L844 HydrophobicContact CD2-CD1 4.5Å; F757-L844 HydrophobicContact CD2-CD2 3.58Å; F757-L844 HydrophobicContact CE2-CD2 4.01Å; F757-L844 HydrophobicContact CG-CD1 3.95Å; F757-L844 HydrophobicContact CG-CD2 3.88Å; L761-L844 HydrophobicContact CD1-CB 4.35Å; L761-L844 HydrophobicContact CD2-CB 4.09Å; L761-L844 VanDerWaalsContact CD2-O 3.29Å; L761-L844 WeakPolarHBondContact CD2-O 3.49Å; Y785-L844 HydrophobicContact CD1-CB 4.27Å; Y785-L844 HydrophobicContact CD1-CD1 4.38Å; Y785-L844 HydrophobicContact CE1-CD1 4.44Å; Y785-L844 PolarHBondContact O-N 2.78Å; V787-L844 HydrophobicContact CB-CD1 4.38Å; V787-L844 HydrophobicContact CG2-CD1 3.44Å; V787-L844 VanDerWaalsContact CG2-CD1 3.44Å; V787-L844 HydrophobicContact CG2-CG 4.04Å; H842-L844 HydrophobicContact CB-CD2 4.02Å; H842-L844 PolarHBondContact O-N 2.62Å
845	Y	95.7	Very high	96	Very high	53 Å²	53	28.4 Å²	28.4	21%	0.208	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	141	178	-173.7	-96.9	0	0	0	110.2	L765 I783 T784 Y785 D847	L765-Y845 HydrophobicContact CD1-CD1 3.88Å; L765-Y845 HydrophobicContact CD1-CE1 4.03Å; L765-Y845 HydrophobicContact CD1-CG 4.27Å; L765-Y845 HydrophobicContact CD2-CD1 4.02Å; L765-Y845 HydrophobicContact CD2-CD2 3.47Å; L765-Y845 VanDerWaalsContact CD2-CD2 3.47Å; L765-Y845 HydrophobicContact CD2-CE1 4.12Å; L765-Y845 HydrophobicContact CD2-CE2 3.59Å; L765-Y845 HydrophobicContact CD2-CG 3.68Å; I783-Y845 HydrophobicContact CB-CD1 4.27Å; I783-Y845 HydrophobicContact CB-CE1 4.1Å; I783-Y845 HydrophobicContact CG2-CD1 4.18Å; I783-Y845 HydrophobicContact CG2-CE1 4.45Å; T784-Y845 CarbonylContact C-O 3.58Å; T784-Y845 WeakPolarHBondContact CA-O 3.48Å; Y785-Y845 PolarHBondContact N-O 2.76Å; Y785-Y845 PolarHBondContact O-N 2.82Å; Y845-D847 HydrophobicContact CE1-CB 4.26Å; Y845-D847 WeakPolarHBondContact CE1-OD1 3.47Å; Y845-D847 WeakPolarHBondContact CE1-OD2 3.32Å; Y845-D847 VanDerWaalsContact CZ-CG 3.42Å; Y845-D847 PolarHBondContact OH-OD1 2.86Å; Y845-D847 PolarHBondContact OH-OD2 3.44Å
846	D	95.6	Very high	96.2	Very high	30 Å²	30	27.9 Å²	27.9	16%	0.16	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	113.3	175.3	-171.9	35.4	0	0	0	112.9	I783 T784 V843 S848 N849 W850	I783-D846 WeakPolarHBondContact O-CA 3.48Å; T784-D846 HydrophobicContact CG2-CB 4.32Å; T784-D846 PolarHBondContact OG1-OD1 3.35Å; V843-D846 HydrophobicContact CG1-CB 3.93Å; D846-S848 WeakPolarHBondContact OD1-CB 3.34Å; D846-S848 PolarHBondContact OD1-N 3.05Å; D846-N849 PolarHBondContact OD2-N 2.87Å; D846-W850 VanDerWaalsContact OD1-CD1 3.28Å; D846-W850 PolarHBondContact OD2-N 3.21Å
847	D	94.6	Very high	96.3	Very high	72 Å²	72	29.2 Å²	29.2	39%	0.385	16%	0.155	S	C	.	.	S	Bend	trans	-101.3	-4	167.7	-67.3	-20.4	0	0	0	112.2	A782 I783 Y845 N849	A782-D847 HydrophobicContact CB-CB 4.3Å; I783-D847 PolarHBondContact O-N 3.5Å; Y845-D847 HydrophobicContact CE1-CB 4.26Å; Y845-D847 WeakPolarHBondContact CE1-OD1 3.47Å; Y845-D847 WeakPolarHBondContact CE1-OD2 3.32Å; Y845-D847 VanDerWaalsContact CZ-CG 3.42Å; Y845-D847 PolarHBondContact OH-OD1 2.86Å; Y845-D847 PolarHBondContact OH-OD2 3.44Å; D847-N849 VanDerWaalsContact C-N 3.28Å; D847-N849 PolarHBondContact O-N 3.06Å
848	S	93	Very high	96.4	Very high	10 Å²	10	24.7 Å²	24.7	7%	0.07	14%	0.135	C	C	.	.	S	Bend	trans	-84.4	-2.6	-178.7	-63.2	0	0	0	0	113.2	A782 T784 D846 W850	A782-S848 WeakPolarHBondContact CB-OG 3.11Å; T784-S848 WeakPolarHBondContact OG1-CB 3.5Å; T784-S848 PolarHBondContact OG1-OG 3.28Å; T784-S848 VanDerWaalsContact OG1-OG 3.11Å; D846-S848 WeakPolarHBondContact OD1-CB 3.34Å; D846-S848 PolarHBondContact OD1-N 3.05Å; S848-W850 VanDerWaalsContact C-N 3.32Å; S848-W850 PolarHBondContact O-N 2.97Å
849	N	91	Very high	96.4	Very high	146 Å²	146	24.5 Å²	24.5	78%	0.781	13%	0.134	S	C	*	.			trans	49.7	49	-178.7	-64	-52.2	0	0	0	112.6	D846 D847	D846-N849 PolarHBondContact OD2-N 2.87Å; D847-N849 VanDerWaalsContact C-N 3.28Å; D847-N849 PolarHBondContact O-N 3.06Å
850	W	95.1	Very high	96.4	Very high	24 Å²	24	24.4 Å²	24.4	9%	0.091	13%	0.134	C	C	.	.			trans	-66.7	140.6	179.1	-71.7	101.4	0	0	0	111.4	P113 I746 T784 F822 D846 S848 A854 L855 F858	P113-W850 WeakPolarHBondContact CB-O 3.33Å; P113-W850 WeakPolarHBondContact CG-O 3.39Å; I746-W850 HydrophobicContact CD1-CZ2 3.72Å; T784-W850 PolarHBondContact OG1-NE1 3.28Å; F822-W850 HydrophobicContact CE1-CB 4.44Å; D846-W850 VanDerWaalsContact OD1-CD1 3.28Å; D846-W850 PolarHBondContact OD2-N 3.21Å; S848-W850 VanDerWaalsContact C-N 3.32Å; S848-W850 PolarHBondContact O-N 2.97Å; W850-A854 HydrophobicContact CE3-CB 3.57Å; W850-A854 HydrophobicContact CZ3-CB 3.9Å; W850-L855 HydrophobicContact CB-CB 3.84Å; W850-L855 HydrophobicContact CD2-CB 4.18Å; W850-L855 HydrophobicContact CD2-CD1 4.15Å; W850-L855 HydrophobicContact CE3-CB 4.29Å; W850-L855 HydrophobicContact CG-CB 3.98Å; W850-L855 HydrophobicContact CG-CD1 4.14Å; W850-L855 HydrophobicContact CG-CG 4.47Å; W850-F858 HydrophobicContact CH2-CD2 4.32Å; W850-F858 HydrophobicContact CH2-CG 4.37Å; W850-F858 HydrophobicContact CZ3-CB 4.49Å
851	S	96.9	Very high	96.4	Very high	53 Å²	53	24.7 Å²	24.7	37%	0.371	14%	0.135	S	C	.	.			trans	-78.3	160.1	157.7	69.6	0	0	0	0	110.5	D853 A854 L855	S851-D853 VanDerWaalsContact C-N 3.27Å; S851-D853 PolarHBondContact O-N 3.34Å; S851-A854 PolarHBondContact O-N 3.16Å; S851-A854 VanDerWaalsContact OG-CB 3.3Å; S851-A854 WeakPolarHBondContact OG-CB 3.34Å; S851-A854 PolarHBondContact OG-N 3.43Å; S851-L855 PolarHBondContact O-N 3.46Å; S851-L855 VanDerWaalsContact O-N 3.08Å
852	S	97.1	Very high	96.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-53.4	-47.9	173.9	-75	0	0	0	0	111.1	D114 A854 Q856	D114-S852 VanDerWaalsContact CG-OG 3.27Å; D114-S852 VanDerWaalsContact OD1-CB 3.23Å; D114-S852 WeakPolarHBondContact OD1-CB 3.32Å; D114-S852 PolarHBondContact OD1-OG 2.88Å; D114-S852 WeakPolarHBondContact OD2-CB 3.46Å; D114-S852 PolarHBondContact OD2-N 3.18Å; D114-S852 PolarHBondContact OD2-OG 2.54Å; S852-A854 PolarHBondContact O-N 3.42Å; S852-Q856 WeakPolarHBondContact O-CB 3.48Å; S852-Q856 WeakPolarHBondContact O-CG 3.36Å; S852-Q856 PolarHBondContact O-N 3.45Å
853	D	97.7	Very high	96.5	Very high	21 Å²	21	24.3 Å²	24.3	11%	0.112	13%	0.133	C	C	.	.	H	α-helix	trans	-63.4	-44.2	-178.6	-75.2	-38	0	0	0	112.7	G117 T118 V119 R495 S851 M857	G117-D853 WeakPolarHBondContact CA-OD1 3.47Å; T118-D853 PolarHBondContact N-OD1 3.13Å; T118-D853 PolarHBondContact N-OD2 2.76Å; T118-D853 PolarHBondContact OG1-OD2 2.96Å; V119-D853 HydrophobicContact CB-CB 4.06Å; V119-D853 WeakPolarHBondContact CB-OD1 3.36Å; V119-D853 HydrophobicContact CG2-CB 3.82Å; V119-D853 WeakPolarHBondContact CG2-OD2 3.23Å; V119-D853 VanDerWaalsContact N-CG 3.31Å; V119-D853 PolarHBondContact N-OD1 2.83Å; V119-D853 PolarHBondContact N-OD2 2.67Å; V119-D853 VanDerWaalsContact N-OD2 3.17Å; R495-D853 IonicContact CZ-OD1 3.07Å; R495-D853 IonicContact NH1-OD1 3.82Å; R495-D853 PolarHBondContact NH1-OD1 2.89Å; R495-D853 IonicContact NH2-OD1 3.16Å; S851-D853 VanDerWaalsContact C-N 3.27Å; S851-D853 PolarHBondContact O-N 3.34Å; D853-M857 WeakPolarHBondContact O-CB 3.21Å; D853-M857 PolarHBondContact O-N 2.77Å
854	A	95.9	Very high	96.5	Very high	38 Å²	38	24.3 Å²	24.3	31%	0.314	13%	0.133	S	C	.	.	H	α-helix	trans	-66.7	-46.6	-177.1	0	0	0	0	0	111.5	W850 S851 S852 F858	W850-A854 HydrophobicContact CE3-CB 3.57Å; W850-A854 HydrophobicContact CZ3-CB 3.9Å; S851-A854 PolarHBondContact O-N 3.16Å; S851-A854 VanDerWaalsContact OG-CB 3.3Å; S851-A854 WeakPolarHBondContact OG-CB 3.34Å; S851-A854 PolarHBondContact OG-N 3.43Å; S852-A854 PolarHBondContact O-N 3.42Å; A854-F858 VanDerWaalsContact O-CB 3.28Å; A854-F858 WeakPolarHBondContact O-CB 3.25Å; A854-F858 PolarHBondContact O-N 3.06Å
855	L	97.5	Very high	96.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-70	-41.2	-179.6	-176.1	60.8	0	0	0	112.7	I786 F822 F824 V843 W850 S851 F858 T859	I786-L855 HydrophobicContact CD1-CD1 3.86Å; I786-L855 HydrophobicContact CD1-CD2 4.13Å; I786-L855 HydrophobicContact CD1-CG 4.41Å; F822-L855 HydrophobicContact CD1-CD2 4.42Å; F822-L855 HydrophobicContact CE1-CB 4.44Å; F822-L855 HydrophobicContact CE1-CD2 3.59Å; F822-L855 HydrophobicContact CZ-CB 4.06Å; F822-L855 HydrophobicContact CZ-CD2 3.67Å; F822-L855 HydrophobicContact CZ-CG 4.44Å; F824-L855 HydrophobicContact CE1-CD2 4.33Å; V843-L855 HydrophobicContact CG2-CD2 3.53Å; W850-L855 HydrophobicContact CB-CB 3.84Å; W850-L855 HydrophobicContact CD2-CB 4.18Å; W850-L855 HydrophobicContact CD2-CD1 4.15Å; W850-L855 HydrophobicContact CE3-CB 4.29Å; W850-L855 HydrophobicContact CG-CB 3.98Å; W850-L855 HydrophobicContact CG-CD1 4.14Å; W850-L855 HydrophobicContact CG-CG 4.47Å; S851-L855 PolarHBondContact O-N 3.46Å; S851-L855 VanDerWaalsContact O-N 3.08Å; L855-F858 PolarHBondContact O-N 2.82Å; L855-T859 VanDerWaalsContact O-CB 3.26Å; L855-T859 WeakPolarHBondContact O-CB 3.27Å; L855-T859 PolarHBondContact O-N 3.06Å; L855-T859 PolarHBondContact O-OG1 2.91Å
856	Q	98.4	Very high	96.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.6	-40.7	179.3	-68.1	164.5	12.5	0	0	111	L497 V811 D813 F824 S852 Y860	L497-Q856 HydrophobicContact CD1-CB 4.11Å; V811-Q856 HydrophobicContact CG2-CG 4.19Å; D813-Q856 PolarHBondContact OD2-NE2 3.33Å; F824-Q856 HydrophobicContact CD1-CG 4.02Å; F824-Q856 HydrophobicContact CD2-CG 3.91Å; F824-Q856 HydrophobicContact CE1-CG 4.08Å; F824-Q856 HydrophobicContact CE2-CG 3.96Å; F824-Q856 HydrophobicContact CG-CG 3.94Å; F824-Q856 HydrophobicContact CZ-CG 4.05Å; S852-Q856 WeakPolarHBondContact O-CB 3.48Å; S852-Q856 WeakPolarHBondContact O-CG 3.36Å; S852-Q856 PolarHBondContact O-N 3.45Å; Q856-Y860 VanDerWaalsContact O-CB 3.31Å; Q856-Y860 WeakPolarHBondContact O-CB 3.2Å; Q856-Y860 PolarHBondContact O-N 3Å
857	M	97.4	Very high	96.5	Very high	31 Å²	31	20.4 Å²	20.4	15%	0.153	12%	0.116	C	C	.	.	H	α-helix	trans	-66.3	-45.7	175.4	-161.5	65.2	61.6	0	0	111.7	V119 L497 D853 T859 Y860 H861	V119-M857 HydrophobicContact CG1-CE 3.57Å; L497-M857 HydrophobicContact CB-CE 3.91Å; L497-M857 HydrophobicContact CB-SD 4.03Å; L497-M857 HydrophobicContact CD1-CE 4.25Å; L497-M857 HydrophobicContact CD1-SD 4.37Å; L497-M857 HydrophobicContact CD2-CE 3.71Å; L497-M857 HydrophobicContact CG-CE 4.15Å; D853-M857 WeakPolarHBondContact O-CB 3.21Å; D853-M857 PolarHBondContact O-N 2.77Å; M857-T859 VanDerWaalsContact C-N 3.35Å; M857-T859 PolarHBondContact O-N 2.83Å; M857-Y860 PolarHBondContact O-N 3.03Å; M857-Y860 HydrophobicContact SD-CD1 4.44Å; M857-H861 WeakPolarHBondContact O-CB 3.37Å; M857-H861 VanDerWaalsContact O-CG 3.29Å; M857-H861 PolarHBondContact O-N 2.78Å
858	F	97.2	Very high	96.5	Very high	16 Å²	16	19.1 Å²	19.1	7%	0.07	11%	0.105	C	C	.	.	H	α-helix	trans	-58.5	-47.5	176.7	-175.3	-92.1	0	0	0	111.3	L656 I664 V666 L695 I746 W850 A854 L855 Y860 H861 L862	L656-F858 HydrophobicContact CD2-CD2 3.54Å; L656-F858 HydrophobicContact CD2-CE2 3.67Å; L656-F858 HydrophobicContact CD2-CG 4.12Å; L656-F858 HydrophobicContact CD2-CZ 4.35Å; I664-F858 HydrophobicContact CD1-CE2 4.07Å; I664-F858 HydrophobicContact CD1-CZ 4.5Å; I664-F858 HydrophobicContact CG2-CZ 4.12Å; V666-F858 HydrophobicContact CG2-CE1 4.05Å; V666-F858 HydrophobicContact CG2-CZ 3.85Å; L695-F858 HydrophobicContact CD1-CE2 4.19Å; L695-F858 HydrophobicContact CD1-CZ 3.88Å; I746-F858 HydrophobicContact CD1-CD1 4.03Å; I746-F858 HydrophobicContact CD1-CE1 3.4Å; I746-F858 HydrophobicContact CD1-CZ 3.74Å; W850-F858 HydrophobicContact CH2-CD2 4.32Å; W850-F858 HydrophobicContact CH2-CG 4.37Å; W850-F858 HydrophobicContact CZ3-CB 4.49Å; A854-F858 VanDerWaalsContact O-CB 3.28Å; A854-F858 WeakPolarHBondContact O-CB 3.25Å; A854-F858 PolarHBondContact O-N 3.06Å; L855-F858 PolarHBondContact O-N 2.82Å; F858-Y860 VanDerWaalsContact C-N 3.34Å; F858-Y860 PolarHBondContact O-N 2.99Å; F858-H861 PolarHBondContact O-N 3.13Å; F858-L862 HydrophobicContact CD1-CD1 3.81Å; F858-L862 HydrophobicContact CD1-CG 4.29Å; F858-L862 HydrophobicContact CE1-CD1 3.39Å; F858-L862 HydrophobicContact CE1-CG 3.99Å; F858-L862 HydrophobicContact CZ-CD1 4.18Å; F858-L862 HydrophobicContact CZ-CG 4.43Å; F858-L862 WeakPolarHBondContact O-CG 3.4Å; F858-L862 PolarHBondContact O-N 3.41Å
859	T	98.3	Very high	96.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-59.6	-43.8	175.7	-59.5	0	0	0	0	111.4	Y748 F824 L826 Y841 L855 M857 L862 C863 P876	Y748-T859 HydrophobicContact CE1-CG2 3.89Å; Y748-T859 WeakPolarHBondContact OH-CA 3.28Å; Y748-T859 PolarHBondContact OH-OG1 2.92Å; F824-T859 HydrophobicContact CE2-CG2 4.42Å; F824-T859 HydrophobicContact CZ-CG2 4.38Å; L826-T859 HydrophobicContact CD2-CG2 4.18Å; Y841-T859 HydrophobicContact CD1-CG2 3.91Å; Y841-T859 HydrophobicContact CE1-CG2 3.44Å; Y841-T859 VanDerWaalsContact CE1-CG2 3.44Å; Y841-T859 HydrophobicContact CE2-CG2 4.43Å; L855-T859 VanDerWaalsContact O-CB 3.26Å; L855-T859 WeakPolarHBondContact O-CB 3.27Å; L855-T859 PolarHBondContact O-N 3.06Å; L855-T859 PolarHBondContact O-OG1 2.91Å; M857-T859 VanDerWaalsContact C-N 3.35Å; M857-T859 PolarHBondContact O-N 2.83Å; T859-L862 PolarHBondContact O-N 2.66Å; T859-C863 PolarHBondContact O-N 2.8Å; T859-C863 PolarHBondContact O-SG 3.4Å; T859-C863 VanDerWaalsContact O-SG 3.39Å; T859-P876 HydrophobicContact CG2-CG 3.81Å
860	Y	98.3	Very high	96.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-64.8	-44.2	177.9	-178.6	-138.1	0	0	0	112.3	L497 Q498 P808 G809 L826 Q856 M857 F858 L862 C863 Y864	L497-Y860 HydrophobicContact CB-CD1 3.65Å; L497-Y860 HydrophobicContact CB-CE1 3.91Å; L497-Y860 HydrophobicContact CB-CG 4.49Å; L497-Y860 HydrophobicContact CD1-CD1 4.27Å; L497-Y860 HydrophobicContact CD1-CG 4.41Å; Q498-Y860 WeakPolarHBondContact O-CE1 3.35Å; P808-Y860 VanDerWaalsContact C-OH 3.28Å; P808-Y860 PolarHBondContact O-OH 2.85Å; P808-Y860 VanDerWaalsContact O-OH 3.13Å; G809-Y860 PolarHBondContact N-OH 3.49Å; L826-Y860 HydrophobicContact CD1-CD2 4.46Å; L826-Y860 HydrophobicContact CD2-CD2 4.36Å; Q856-Y860 VanDerWaalsContact O-CB 3.31Å; Q856-Y860 WeakPolarHBondContact O-CB 3.2Å; Q856-Y860 PolarHBondContact O-N 3Å; M857-Y860 PolarHBondContact O-N 3.03Å; M857-Y860 HydrophobicContact SD-CD1 4.44Å; F858-Y860 VanDerWaalsContact C-N 3.34Å; F858-Y860 PolarHBondContact O-N 2.99Å; Y860-L862 VanDerWaalsContact C-N 3.33Å; Y860-L862 PolarHBondContact O-N 3.37Å; Y860-C863 VanDerWaalsContact O-CB 3.23Å; Y860-C863 WeakPolarHBondContact O-CB 3.35Å; Y860-C863 PolarHBondContact O-N 3.16Å; Y860-C863 VanDerWaalsContact O-N 3.08Å; Y860-Y864 HydrophobicContact CD2-CE2 4.03Å; Y860-Y864 HydrophobicContact CE1-CE2 4.12Å; Y860-Y864 AromaticContact CE2-CE2 3.54Å; Y860-Y864 HydrophobicContact CE2-CE2 3.54Å; Y860-Y864 AromaticContact CZ-CE2 3.6Å; Y860-Y864 AromaticContact CZ-CZ 3.96Å; Y860-Y864 WeakPolarHBondContact O-CD2 3.28Å; Y860-Y864 PolarHBondContact OH-OH 3.44Å
861	H	97.8	Very high	96.6	Very high	15 Å²	15	16 Å²	16	7%	0.069	9%	0.087	C	C	.	.	H	α-helix	trans	-65.5	-34.8	177.8	-71.4	-178.6	0	0	0	112.2	P500 I653 L656 M857 F858 C863 Y864	P500-H861 HydrophobicContact CB-CB 4.49Å; I653-H861 HydrophobicContact CG2-CB 4.38Å; L656-H861 HydrophobicContact CD1-CB 4.35Å; L656-H861 HydrophobicContact CD2-CB 3.54Å; L656-H861 HydrophobicContact CG-CB 3.88Å; M857-H861 WeakPolarHBondContact O-CB 3.37Å; M857-H861 VanDerWaalsContact O-CG 3.29Å; M857-H861 PolarHBondContact O-N 2.78Å; F858-H861 PolarHBondContact O-N 3.13Å; H861-C863 PolarHBondContact O-N 2.93Å; H861-Y864 WeakPolarHBondContact O-CB 3.4Å; H861-Y864 PolarHBondContact O-N 3.42Å
862	L	97.9	Very high	96.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-59.9	-27.4	171.8	-79.6	177.3	0	0	0	113	L656 V666 L695 Y748 F858 T859 Y860 Y864 T865 P876 A877	L656-L862 HydrophobicContact CD1-CD2 3.91Å; L656-L862 HydrophobicContact CD1-CG 4.38Å; L656-L862 HydrophobicContact CD2-CG 4.36Å; V666-L862 HydrophobicContact CG1-CD1 3.97Å; V666-L862 HydrophobicContact CG2-CD1 4.41Å; L695-L862 HydrophobicContact CD1-CD2 4.28Å; Y748-L862 HydrophobicContact CD2-CD1 4.44Å; Y748-L862 HydrophobicContact CE2-CD1 3.49Å; Y748-L862 VanDerWaalsContact CE2-CD1 3.49Å; F858-L862 HydrophobicContact CD1-CD1 3.81Å; F858-L862 HydrophobicContact CD1-CG 4.29Å; F858-L862 HydrophobicContact CE1-CD1 3.39Å; F858-L862 HydrophobicContact CE1-CG 3.99Å; F858-L862 HydrophobicContact CZ-CD1 4.18Å; F858-L862 HydrophobicContact CZ-CG 4.43Å; F858-L862 WeakPolarHBondContact O-CG 3.4Å; F858-L862 PolarHBondContact O-N 3.41Å; T859-L862 PolarHBondContact O-N 2.66Å; Y860-L862 VanDerWaalsContact C-N 3.33Å; Y860-L862 PolarHBondContact O-N 3.37Å; L862-Y864 PolarHBondContact O-N 2.94Å; L862-T865 HydrophobicContact CD2-CG2 4.27Å; L862-T865 PolarHBondContact O-N 2.97Å; L862-T865 PolarHBondContact O-OG1 3.28Å; L862-P876 HydrophobicContact CB-CB 4.03Å; L862-P876 HydrophobicContact CB-CG 4.4Å; L862-P876 HydrophobicContact CD1-CB 4.43Å; L862-A877 PolarHBondContact O-N 2.99Å
863	C	97.9	Very high	96.6	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-15.8	173.4	-60.4	0	0	0	0	113.3	S828 T859 Y860 H861 S872 V873	S828-C863 VanDerWaalsContact CB-SG 3.56Å; S828-C863 PolarHBondContact OG-SG 2.92Å; T859-C863 PolarHBondContact O-N 2.8Å; T859-C863 PolarHBondContact O-SG 3.4Å; T859-C863 VanDerWaalsContact O-SG 3.39Å; Y860-C863 VanDerWaalsContact O-CB 3.23Å; Y860-C863 WeakPolarHBondContact O-CB 3.35Å; Y860-C863 PolarHBondContact O-N 3.16Å; Y860-C863 VanDerWaalsContact O-N 3.08Å; H861-C863 PolarHBondContact O-N 2.93Å; C863-S872 WeakPolarHBondContact CB-OG 3.15Å; C863-S872 WeakPolarHBondContact O-CA 3.42Å; C863-V873 HydrophobicContact CB-CG2 4.27Å; C863-V873 WeakPolarHBondContact CB-O 3.4Å; C863-V873 VanDerWaalsContact O-CG2 3.32Å; C863-V873 WeakPolarHBondContact O-CG2 3.27Å; C863-V873 PolarHBondContact O-N 3.29Å; C863-V873 VanDerWaalsContact O-N 3.12Å
864	Y	97.5	Very high	96.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-8.9	174.5	-70.5	-102.2	0	0	0	113.4	P499 P500 L512 G515 W517 W651 Y860 H861 L862 Y866	P499-Y864 HydrophobicContact CB-CE1 4.4Å; P500-Y864 HydrophobicContact CG-CD1 3.95Å; P500-Y864 HydrophobicContact CG-CD2 3.7Å; P500-Y864 HydrophobicContact CG-CE1 4.42Å; P500-Y864 HydrophobicContact CG-CE2 4.19Å; P500-Y864 HydrophobicContact CG-CG 3.58Å; L512-Y864 HydrophobicContact CB-CE1 4.39Å; L512-Y864 HydrophobicContact CD1-CD1 3.58Å; L512-Y864 HydrophobicContact CD1-CE1 4.18Å; L512-Y864 HydrophobicContact CD1-CG 4.48Å; G515-Y864 PolarHBondContact N-OH 2.76Å; W517-Y864 AromaticContact CE3-CD1 4Å; W517-Y864 HydrophobicContact CE3-CD1 4Å; W517-Y864 HydrophobicContact CE3-CE1 4.11Å; W517-Y864 AromaticContact CH2-CD1 3.61Å; W517-Y864 HydrophobicContact CH2-CD1 3.61Å; W517-Y864 HydrophobicContact CH2-CE1 4.39Å; W517-Y864 HydrophobicContact CH2-CG 4.28Å; W517-Y864 AromaticContact CZ3-CD1 3.25Å; W517-Y864 HydrophobicContact CZ3-CD1 3.25Å; W517-Y864 AromaticContact CZ3-CE1 3.59Å; W517-Y864 HydrophobicContact CZ3-CE1 3.59Å; W517-Y864 HydrophobicContact CZ3-CG 4.27Å; W651-Y864 PolarHBondContact NE1-O 2.83Å; Y860-Y864 HydrophobicContact CD2-CE2 4.03Å; Y860-Y864 HydrophobicContact CE1-CE2 4.12Å; Y860-Y864 AromaticContact CE2-CE2 3.54Å; Y860-Y864 HydrophobicContact CE2-CE2 3.54Å; Y860-Y864 AromaticContact CZ-CE2 3.6Å; Y860-Y864 AromaticContact CZ-CZ 3.96Å; Y860-Y864 WeakPolarHBondContact O-CD2 3.28Å; Y860-Y864 PolarHBondContact OH-OH 3.44Å; H861-Y864 WeakPolarHBondContact O-CB 3.4Å; H861-Y864 PolarHBondContact O-N 3.42Å; L862-Y864 PolarHBondContact O-N 2.94Å; Y864-Y866 PolarHBondContact O-N 2.85Å
865	T	96.5	Very high	96.6	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.063	C	C	.	.			trans	-81.7	1.2	179.4	66.9	0	0	0	0	113.5	I653 L656 M696 L862 M867 A877 Y881	I653-T865 HydrophobicContact CG1-CG2 3.98Å; L656-T865 HydrophobicContact CD1-CG2 3.52Å; M696-T865 WeakPolarHBondContact CE-O 3.39Å; M696-T865 HydrophobicContact SD-CG2 3.84Å; L862-T865 HydrophobicContact CD2-CG2 4.27Å; L862-T865 PolarHBondContact O-N 2.97Å; L862-T865 PolarHBondContact O-OG1 3.28Å; T865-M867 PolarHBondContact O-N 2.97Å; T865-A877 WeakPolarHBondContact OG1-CB 3.49Å; T865-Y881 PolarHBondContact O-OH 3.37Å
866	Y	96.5	Very high	96.6	Very high	3 Å²	3	13 Å²	13	1%	0.012	6%	0.063	C	C	.	.			trans	-75	106.5	-176.5	-176.1	-111.6	0	0	0	113	W651 Y864 R868 C869 V873 A877 Y880 Y881	W651-Y866 WeakPolarHBondContact CZ2-O 3.39Å; Y864-Y866 PolarHBondContact O-N 2.85Å; Y866-R868 VanDerWaalsContact C-N 3.31Å; Y866-R868 HydrophobicContact CD1-CB 4.23Å; Y866-R868 HydrophobicContact CE1-CB 3.61Å; Y866-R868 HydrophobicContact CE1-CG 4.26Å; Y866-R868 HydrophobicContact CE2-CB 4.36Å; Y866-R868 HydrophobicContact CE2-CG 4.11Å; Y866-R868 PolarHBondContact O-N 2.91Å; Y866-R868 VanDerWaalsContact OH-CD 3.29Å; Y866-R868 WeakPolarHBondContact OH-CD 3.21Å; Y866-R868 PolarHBondContact OH-NH1 2.79Å; Y866-C869 VanDerWaalsContact O-O 3.12Å; Y866-V873 HydrophobicContact CD1-CG1 3.23Å; Y866-V873 HydrophobicContact CD2-CG1 4.35Å; Y866-V873 HydrophobicContact CE1-CG1 3.64Å; Y866-V873 HydrophobicContact CG-CG1 3.58Å; Y866-V873 HydrophobicContact CG-CG2 4.21Å; Y866-A877 HydrophobicContact CD2-CB 4.23Å; Y866-Y880 HydrophobicContact CE2-CG 4.39Å; Y866-Y881 WeakPolarHBondContact CA-OH 3.5Å; Y866-Y881 HydrophobicContact CD2-CD1 4.13Å; Y866-Y881 AromaticContact CD2-CE1 3.35Å; Y866-Y881 HydrophobicContact CD2-CE1 3.35Å; Y866-Y881 AromaticContact CD2-CZ 3.84Å; Y866-Y881 HydrophobicContact CE2-CD1 4.02Å; Y866-Y881 AromaticContact CE2-CE1 3.53Å; Y866-Y881 HydrophobicContact CE2-CE1 3.53Å; Y866-Y881 HydrophobicContact CG-CE1 4.5Å
867	M	94.3	Very high	96.6	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-6.7	-168.4	-68.9	-175.5	60.1	0	0	115.5	L640 G644 G648 N650 M696 T865 Y881 M918	L640-M867 WeakPolarHBondContact CB-O 3.42Å; G644-M867 VanDerWaalsContact CA-CE 3.49Å; G648-M867 WeakPolarHBondContact O-CE 3.23Å; N650-M867 HydrophobicContact CB-CE 4.26Å; N650-M867 PolarHBondContact ND2-O 2.92Å; M696-M867 HydrophobicContact CE-CG 3.84Å; M696-M867 HydrophobicContact CE-SD 4.28Å; T865-M867 PolarHBondContact O-N 2.97Å; M867-Y881 PolarHBondContact N-OH 2.79Å; M867-M918 HydrophobicContact SD-SD 4.15Å
868	R	94.3	Very high	96.6	Very high	44 Å²	44	11.5 Å²	11.5	17%	0.166	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-14.8	-174.5	-57.6	175.6	61.7	-152.7	22.4	113.9	K641 Y866 L884 L921	K641-R868 HydrophobicContact CG-CB 4.45Å; K641-R868 HydrophobicContact CG-CG 4.42Å; Y866-R868 VanDerWaalsContact C-N 3.31Å; Y866-R868 HydrophobicContact CD1-CB 4.23Å; Y866-R868 HydrophobicContact CE1-CB 3.61Å; Y866-R868 HydrophobicContact CE1-CG 4.26Å; Y866-R868 HydrophobicContact CE2-CB 4.36Å; Y866-R868 HydrophobicContact CE2-CG 4.11Å; Y866-R868 PolarHBondContact O-N 2.91Å; Y866-R868 VanDerWaalsContact OH-CD 3.29Å; Y866-R868 WeakPolarHBondContact OH-CD 3.21Å; Y866-R868 PolarHBondContact OH-NH1 2.79Å; R868-L884 VanDerWaalsContact NH1-CD1 3.35Å; R868-L921 WeakPolarHBondContact CD-OXT 3.35Å; R868-L921 HydrophobicContact CG-CB 4.19Å; R868-L921 HydrophobicContact CG-CD2 3.68Å; R868-L921 HydrophobicContact CG-CG 4.43Å; R868-L921 VanDerWaalsContact CZ-OXT 3.25Å; R868-L921 PolarHBondContact NE-OXT 3.1Å; R868-L921 PolarHBondContact NH2-OXT 3.38Å
869	C	93.7	Very high	96.6	Very high	19 Å²	19	10.8 Å²	10.8	13%	0.128	5%	0.052	C	C	.	.	S	Bend	trans	-156.2	151.4	176.1	55.2	0	0	0	0	110.7	W651 Y866 R871	W651-C869 WeakPolarHBondContact CH2-O 3.4Å; Y866-C869 VanDerWaalsContact O-O 3.12Å; C869-R871 PolarHBondContact O-N 3.39Å
870	S	93.7	Very high	96.5	Very high	22 Å²	22	13 Å²	13	15%	0.154	6%	0.061	C	C	.	.	S	Bend	trans	-79.9	54.6	174.9	-53.4	0	0	0	0	111.6	S516 W517	S516-S870 WeakPolarHBondContact CA-O 3.17Å; W517-S870 PolarHBondContact N-O 2.78Å; W517-S870 WeakPolarHBondContact O-CB 3.32Å
871	R	94.7	Very high	96.4	Very high	74 Å²	74	13 Å²	13	28%	0.279	6%	0.061	S	C	.	.	B	Isolated β-bridge	trans	-143.3	145.9	-178.8	-65.4	-172.3	173	-100.1	-2.5	110.5	G515 W517 C869	G515-R871 VanDerWaalsContact O-CA 3.23Å; G515-R871 WeakPolarHBondContact O-CA 3.42Å; G515-R871 WeakPolarHBondContact O-CB 3.36Å; W517-R871 VanDerWaalsContact CZ3-CA 3.49Å; C869-R871 PolarHBondContact O-N 3.39Å
872	S	96.4	Very high	96.4	Very high	5 Å²	5	12.2 Å²	12.2	4%	0.035	6%	0.058	C	C	.	.			trans	-70	131.5	169.4	-178.1	0	0	0	0	108.8	G515 W517 S828 Q829 C863	G515-S872 PolarHBondContact O-N 3.08Å; W517-S872 VanDerWaalsContact CZ3-N 3.28Å; S828-S872 VanDerWaalsContact O-CB 3.24Å; S828-S872 WeakPolarHBondContact O-CB 3.47Å; S828-S872 PolarHBondContact O-OG 3.32Å; Q829-S872 WeakPolarHBondContact CB-O 3.28Å; C863-S872 WeakPolarHBondContact CB-OG 3.15Å; C863-S872 WeakPolarHBondContact O-CA 3.42Å
873	V	96.5	Very high	96.2	Very high	11 Å²	11	13.5 Å²	13.5	7%	0.067	6%	0.064	C	C	.	.			trans	-89.8	168.2	178.1	-72.1	0	0	0	0	111.4	S828 C863 Y866 Y875 Y880	S828-V873 WeakPolarHBondContact CB-O 3.41Å; C863-V873 HydrophobicContact CB-CG2 4.27Å; C863-V873 WeakPolarHBondContact CB-O 3.4Å; C863-V873 VanDerWaalsContact O-CG2 3.32Å; C863-V873 WeakPolarHBondContact O-CG2 3.27Å; C863-V873 PolarHBondContact O-N 3.29Å; C863-V873 VanDerWaalsContact O-N 3.12Å; Y866-V873 HydrophobicContact CD1-CG1 3.23Å; Y866-V873 HydrophobicContact CD2-CG1 4.35Å; Y866-V873 HydrophobicContact CE1-CG1 3.64Å; Y866-V873 HydrophobicContact CG-CG1 3.58Å; Y866-V873 HydrophobicContact CG-CG2 4.21Å; V873-Y875 VanDerWaalsContact C-N 3.25Å; V873-Y875 WeakPolarHBondContact CG2-O 3.5Å; V873-Y875 PolarHBondContact O-N 3.38Å; V873-Y880 HydrophobicContact CB-CD2 3.89Å; V873-Y880 HydrophobicContact CB-CE2 3.58Å; V873-Y880 HydrophobicContact CG1-CD2 4.46Å; V873-Y880 HydrophobicContact CG1-CE2 4.28Å; V873-Y880 HydrophobicContact CG2-CD2 3.82Å; V873-Y880 HydrophobicContact CG2-CE2 3.97Å
874	S	95.8	Very high	96.2	Very high	19 Å²	19	15 Å²	15	13%	0.133	7%	0.072	C	C	.	.	S	Bend	trans	-74.2	-12.4	-171.8	56.3	0	0	0	0	115.8	Q829 Y880	Q829-S874 VanDerWaalsContact NE2-CB 3.29Å; Q829-S874 VanDerWaalsContact OE1-CA 3.23Å; S874-Y880 PolarHBondContact OG-OH 3.03Å
875	Y	97.5	Very high	96.1	Very high	14 Å²	14	15 Å²	15	6%	0.055	7%	0.072	C	C	.	.	S	Bend	trans	-160	164.2	178.8	49.9	-96.5	0	0	0	108.7	V788 K790 Y841 V873 T879 Y880	V788-Y875 HydrophobicContact CG1-CG 4.48Å; K790-Y875 HydrophobicContact CB-CE1 4.39Å; K790-Y875 HydrophobicContact CD-CE1 3.88Å; K790-Y875 PolarHBondContact NZ-OH 2.79Å; Y841-Y875 WeakPolarHBondContact OH-CA 3.45Å; Y841-Y875 WeakPolarHBondContact OH-CB 3.23Å; V873-Y875 VanDerWaalsContact C-N 3.25Å; V873-Y875 WeakPolarHBondContact CG2-O 3.5Å; V873-Y875 PolarHBondContact O-N 3.38Å; Y875-T879 HydrophobicContact CD2-CG2 4.03Å; Y875-T879 HydrophobicContact CE2-CG2 4.12Å; Y875-Y880 HydrophobicContact CD1-CD2 4.39Å; Y875-Y880 AromaticContact CD1-CE2 3.66Å; Y875-Y880 HydrophobicContact CD1-CE2 3.66Å; Y875-Y880 AromaticContact CD2-CD2 3.34Å; Y875-Y880 HydrophobicContact CD2-CD2 3.34Å; Y875-Y880 AromaticContact CD2-CE2 3.47Å; Y875-Y880 HydrophobicContact CD2-CE2 3.47Å; Y875-Y880 VanDerWaalsContact CD2-CE2 3.47Å; Y875-Y880 HydrophobicContact CD2-CG 4.1Å; Y875-Y880 HydrophobicContact CE1-CD2 4.19Å; Y875-Y880 HydrophobicContact CE1-CE1 4.13Å; Y875-Y880 AromaticContact CE1-CE2 3.41Å; Y875-Y880 HydrophobicContact CE1-CE2 3.41Å; Y875-Y880 VanDerWaalsContact CE1-CE2 3.41Å; Y875-Y880 AromaticContact CE1-CZ 3.4Å; Y875-Y880 WeakPolarHBondContact CE1-OH 3.42Å; Y875-Y880 AromaticContact CE2-CD1 3.89Å; Y875-Y880 HydrophobicContact CE2-CD1 3.89Å; Y875-Y880 AromaticContact CE2-CD2 3.13Å; Y875-Y880 HydrophobicContact CE2-CD2 3.13Å; Y875-Y880 HydrophobicContact CE2-CE1 4.05Å; Y875-Y880 AromaticContact CE2-CE2 3.28Å; Y875-Y880 HydrophobicContact CE2-CE2 3.28Å; Y875-Y880 AromaticContact CE2-CG 3.46Å; Y875-Y880 HydrophobicContact CE2-CG 3.46Å; Y875-Y880 VanDerWaalsContact CE2-CG 3.46Å; Y875-Y880 AromaticContact CE2-CZ 3.76Å; Y875-Y880 HydrophobicContact CG-CD2 4Å; Y875-Y880 AromaticContact CG-CE2 3.67Å; Y875-Y880 HydrophobicContact CG-CE2 3.67Å; Y875-Y880 AromaticContact CZ-CD1 3.83Å; Y875-Y880 AromaticContact CZ-CD2 3.58Å; Y875-Y880 AromaticContact CZ-CE1 3.53Å; Y875-Y880 AromaticContact CZ-CE2 3.22Å; Y875-Y880 AromaticContact CZ-CG 3.87Å; Y875-Y880 AromaticContact CZ-CZ 3.22Å; Y875-Y880 WeakPolarHBondContact O-CD2 3.33Å; Y875-Y880 WeakPolarHBondContact OH-CE1 3.46Å
876	P	98.1	Very high	96	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.072	C	C	.	.			trans	-48.5	139.9	-171.5	-34.6	37.8	0	0	0	114.6	Y748 Y841 T859 L862 T879 Y880	Y748-P876 HydrophobicContact CD1-CB 4.48Å; Y748-P876 HydrophobicContact CD1-CG 3.86Å; Y748-P876 HydrophobicContact CD2-CB 4.38Å; Y748-P876 HydrophobicContact CD2-CG 4.48Å; Y748-P876 HydrophobicContact CE1-CG 3.71Å; Y748-P876 HydrophobicContact CE2-CB 4.47Å; Y748-P876 HydrophobicContact CE2-CG 4.35Å; Y748-P876 HydrophobicContact CG-CB 4.37Å; Y748-P876 HydrophobicContact CG-CG 4.24Å; Y841-P876 HydrophobicContact CE1-CG 4.19Å; Y841-P876 VanDerWaalsContact OH-CD 3.28Å; Y841-P876 WeakPolarHBondContact OH-CD 3.3Å; T859-P876 HydrophobicContact CG2-CG 3.81Å; L862-P876 HydrophobicContact CB-CB 4.03Å; L862-P876 HydrophobicContact CB-CG 4.4Å; L862-P876 HydrophobicContact CD1-CB 4.43Å; P876-T879 WeakPolarHBondContact O-CB 3.49Å; P876-T879 PolarHBondContact O-N 3.25Å; P876-Y880 PolarHBondContact O-N 3.47Å
877	A	97.6	Very high	95.8	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-54.2	-41.3	179.1	0	0	0	0	0	114.6	L862 T865 Y866 T879 Y880 Y881	L862-A877 PolarHBondContact O-N 2.99Å; T865-A877 WeakPolarHBondContact OG1-CB 3.49Å; Y866-A877 HydrophobicContact CD2-CB 4.23Å; A877-T879 VanDerWaalsContact C-N 3.29Å; A877-T879 PolarHBondContact O-N 3.13Å; A877-Y880 WeakPolarHBondContact O-CA 3.31Å; A877-Y880 WeakPolarHBondContact O-CB 3.36Å; A877-Y880 PolarHBondContact O-N 3.35Å; A877-Y880 VanDerWaalsContact O-N 3.1Å; A877-Y881 HydrophobicContact CB-CD2 4.44Å; A877-Y881 HydrophobicContact CB-CE2 3.83Å; A877-Y881 VanDerWaalsContact O-CD2 3.23Å; A877-Y881 WeakPolarHBondContact O-CD2 3.25Å; A877-Y881 PolarHBondContact O-N 3.46Å
878	P	97.6	Very high	95.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-54.7	-43.6	176.7	-16.8	19.8	0	0	0	112.9	V666 Y698 Y881 S882	V666-P878 HydrophobicContact CG1-CB 4.31Å; V666-P878 HydrophobicContact CG1-CG 3.58Å; Y698-P878 HydrophobicContact CD1-CB 4.31Å; Y698-P878 HydrophobicContact CE1-CB 3.71Å; Y698-P878 HydrophobicContact CE1-CG 3.61Å; Y698-P878 WeakPolarHBondContact OH-CG 3.37Å; P878-Y881 PolarHBondContact O-N 3.21Å; P878-S882 PolarHBondContact O-N 2.91Å
879	T	97.1	Very high	95.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-65.1	-43	178	-45.1	0	0	0	0	110.8	Y748 D750 Y875 P876 A877 Y881 S882 H883	Y748-T879 WeakPolarHBondContact CB-OG1 3.31Å; D750-T879 HydrophobicContact CB-CG2 3.59Å; Y875-T879 HydrophobicContact CD2-CG2 4.03Å; Y875-T879 HydrophobicContact CE2-CG2 4.12Å; P876-T879 WeakPolarHBondContact O-CB 3.49Å; P876-T879 PolarHBondContact O-N 3.25Å; A877-T879 VanDerWaalsContact C-N 3.29Å; A877-T879 PolarHBondContact O-N 3.13Å; T879-Y881 VanDerWaalsContact C-N 3.3Å; T879-Y881 PolarHBondContact O-N 2.84Å; T879-S882 PolarHBondContact O-N 3.41Å; T879-S882 PolarHBondContact O-OG 3.2Å; T879-H883 PolarHBondContact O-N 2.88Å
880	Y	96.1	Very high	95.6	Very high	46 Å²	46	16.4 Å²	16.4	18%	0.18	8%	0.075	C	C	.	.	H	α-helix	trans	-58.7	-41.5	172.2	-100.5	-72.1	0	0	0	112.7	Y866 V873 S874 Y875 P876 A877 H883 L884	Y866-Y880 HydrophobicContact CE2-CG 4.39Å; V873-Y880 HydrophobicContact CB-CD2 3.89Å; V873-Y880 HydrophobicContact CB-CE2 3.58Å; V873-Y880 HydrophobicContact CG1-CD2 4.46Å; V873-Y880 HydrophobicContact CG1-CE2 4.28Å; V873-Y880 HydrophobicContact CG2-CD2 3.82Å; V873-Y880 HydrophobicContact CG2-CE2 3.97Å; S874-Y880 PolarHBondContact OG-OH 3.03Å; Y875-Y880 HydrophobicContact CD1-CD2 4.39Å; Y875-Y880 AromaticContact CD1-CE2 3.66Å; Y875-Y880 HydrophobicContact CD1-CE2 3.66Å; Y875-Y880 AromaticContact CD2-CD2 3.34Å; Y875-Y880 HydrophobicContact CD2-CD2 3.34Å; Y875-Y880 AromaticContact CD2-CE2 3.47Å; Y875-Y880 HydrophobicContact CD2-CE2 3.47Å; Y875-Y880 VanDerWaalsContact CD2-CE2 3.47Å; Y875-Y880 HydrophobicContact CD2-CG 4.1Å; Y875-Y880 HydrophobicContact CE1-CD2 4.19Å; Y875-Y880 HydrophobicContact CE1-CE1 4.13Å; Y875-Y880 AromaticContact CE1-CE2 3.41Å; Y875-Y880 HydrophobicContact CE1-CE2 3.41Å; Y875-Y880 VanDerWaalsContact CE1-CE2 3.41Å; Y875-Y880 AromaticContact CE1-CZ 3.4Å; Y875-Y880 WeakPolarHBondContact CE1-OH 3.42Å; Y875-Y880 AromaticContact CE2-CD1 3.89Å; Y875-Y880 HydrophobicContact CE2-CD1 3.89Å; Y875-Y880 AromaticContact CE2-CD2 3.13Å; Y875-Y880 HydrophobicContact CE2-CD2 3.13Å; Y875-Y880 HydrophobicContact CE2-CE1 4.05Å; Y875-Y880 AromaticContact CE2-CE2 3.28Å; Y875-Y880 HydrophobicContact CE2-CE2 3.28Å; Y875-Y880 AromaticContact CE2-CG 3.46Å; Y875-Y880 HydrophobicContact CE2-CG 3.46Å; Y875-Y880 VanDerWaalsContact CE2-CG 3.46Å; Y875-Y880 AromaticContact CE2-CZ 3.76Å; Y875-Y880 HydrophobicContact CG-CD2 4Å; Y875-Y880 AromaticContact CG-CE2 3.67Å; Y875-Y880 HydrophobicContact CG-CE2 3.67Å; Y875-Y880 AromaticContact CZ-CD1 3.83Å; Y875-Y880 AromaticContact CZ-CD2 3.58Å; Y875-Y880 AromaticContact CZ-CE1 3.53Å; Y875-Y880 AromaticContact CZ-CE2 3.22Å; Y875-Y880 AromaticContact CZ-CG 3.87Å; Y875-Y880 AromaticContact CZ-CZ 3.22Å; Y875-Y880 WeakPolarHBondContact O-CD2 3.33Å; Y875-Y880 WeakPolarHBondContact OH-CE1 3.46Å; P876-Y880 PolarHBondContact O-N 3.47Å; A877-Y880 WeakPolarHBondContact O-CA 3.31Å; A877-Y880 WeakPolarHBondContact O-CB 3.36Å; A877-Y880 PolarHBondContact O-N 3.35Å; A877-Y880 VanDerWaalsContact O-N 3.1Å; Y880-H883 WeakPolarHBondContact O-CB 3.33Å; Y880-H883 PolarHBondContact O-N 3.12Å; Y880-L884 WeakPolarHBondContact O-CG 3.35Å; Y880-L884 PolarHBondContact O-N 3.33Å
881	Y	97.7	Very high	95.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-66.8	-37.1	178.7	-62.2	-30.6	0	0	0	112.2	Y698 T865 Y866 M867 A877 P878 T879 H883 L884 A885 M918 Y920 L921	Y698-Y881 AromaticContact CD2-CD2 3.79Å; Y698-Y881 HydrophobicContact CD2-CD2 3.79Å; Y698-Y881 AromaticContact CD2-CE2 3.73Å; Y698-Y881 HydrophobicContact CD2-CE2 3.73Å; Y698-Y881 HydrophobicContact CE2-CD2 4.16Å; Y698-Y881 AromaticContact CE2-CE2 3.85Å; Y698-Y881 HydrophobicContact CE2-CE2 3.85Å; Y698-Y881 HydrophobicContact CG-CD2 4.16Å; T865-Y881 PolarHBondContact O-OH 3.37Å; Y866-Y881 WeakPolarHBondContact CA-OH 3.5Å; Y866-Y881 HydrophobicContact CD2-CD1 4.13Å; Y866-Y881 AromaticContact CD2-CE1 3.35Å; Y866-Y881 HydrophobicContact CD2-CE1 3.35Å; Y866-Y881 AromaticContact CD2-CZ 3.84Å; Y866-Y881 HydrophobicContact CE2-CD1 4.02Å; Y866-Y881 AromaticContact CE2-CE1 3.53Å; Y866-Y881 HydrophobicContact CE2-CE1 3.53Å; Y866-Y881 HydrophobicContact CG-CE1 4.5Å; M867-Y881 PolarHBondContact N-OH 2.79Å; A877-Y881 HydrophobicContact CB-CD2 4.44Å; A877-Y881 HydrophobicContact CB-CE2 3.83Å; A877-Y881 VanDerWaalsContact O-CD2 3.23Å; A877-Y881 WeakPolarHBondContact O-CD2 3.25Å; A877-Y881 PolarHBondContact O-N 3.46Å; P878-Y881 PolarHBondContact O-N 3.21Å; T879-Y881 VanDerWaalsContact C-N 3.3Å; T879-Y881 PolarHBondContact O-N 2.84Å; Y881-H883 VanDerWaalsContact C-N 3.31Å; Y881-H883 PolarHBondContact O-N 2.65Å; Y881-L884 HydrophobicContact CD1-CD1 4.29Å; Y881-L884 PolarHBondContact O-N 2.99Å; Y881-L884 VanDerWaalsContact O-N 3.13Å; Y881-A885 WeakPolarHBondContact O-CB 3.26Å; Y881-A885 PolarHBondContact O-N 3.2Å; Y881-M918 HydrophobicContact CD1-CE 4.49Å; Y881-M918 HydrophobicContact CD2-CE 3.8Å; Y881-M918 HydrophobicContact CE1-CE 4.1Å; Y881-M918 HydrophobicContact CE2-CE 3.34Å; Y881-M918 HydrophobicContact CG-CE 4.36Å; Y881-Y920 AromaticContact CD1-CE2 3.99Å; Y881-Y920 HydrophobicContact CD1-CE2 3.99Å; Y881-Y920 AromaticContact CG-CE2 3.8Å; Y881-Y920 HydrophobicContact CG-CE2 3.8Å; Y881-L921 HydrophobicContact CD1-CD2 3.69Å; Y881-L921 HydrophobicContact CE1-CD2 3.34Å
882	S	96.9	Very high	95.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.3	-42.7	174.6	70.3	0	0	0	0	112.3	G668 D670 A686 L688 P878 T879 L884 A885 A886	G668-S882 WeakPolarHBondContact O-CB 3.36Å; D670-S882 WeakPolarHBondContact CB-OG 3.37Å; D670-S882 PolarHBondContact N-OG 3.46Å; A686-S882 WeakPolarHBondContact CB-O 3.29Å; L688-S882 VanDerWaalsContact CD1-CB 3.42Å; L688-S882 VanDerWaalsContact CD1-N 3.27Å; P878-S882 PolarHBondContact O-N 2.91Å; T879-S882 PolarHBondContact O-N 3.41Å; T879-S882 PolarHBondContact O-OG 3.2Å; S882-L884 PolarHBondContact O-N 3.44Å; S882-A885 PolarHBondContact O-N 3.14Å; S882-A886 WeakPolarHBondContact O-CB 3.23Å; S882-A886 PolarHBondContact O-N 3Å
883	H	94.9	Very high	95.1	Very high	27 Å²	27	14.4 Å²	14.4	13%	0.125	7%	0.068	C	C	.	.	H	α-helix	trans	-61	-46	172.5	-169.5	71.1	0	0	0	112.4	D670 T879 Y880 Y881 A885 A886 F887	D670-H883 WeakPolarHBondContact OD2-CA 3.04Å; D670-H883 IonicContact OD2-CE1 3.11Å; D670-H883 IonicContact OD2-CG 3.89Å; D670-H883 IonicContact OD2-ND1 2.68Å; D670-H883 PolarHBondContact OD2-ND1 3.43Å; T879-H883 PolarHBondContact O-N 2.88Å; Y880-H883 WeakPolarHBondContact O-CB 3.33Å; Y880-H883 PolarHBondContact O-N 3.12Å; Y881-H883 VanDerWaalsContact C-N 3.31Å; Y881-H883 PolarHBondContact O-N 2.65Å; H883-A885 VanDerWaalsContact C-N 3.34Å; H883-A885 PolarHBondContact O-N 3.44Å; H883-A886 PolarHBondContact O-N 3.23Å; H883-F887 AromaticContact CE1-CD2 3.69Å; H883-F887 AromaticContact CE1-CE2 3.09Å; H883-F887 WeakPolarHBondContact CE1-CE2 3.25Å; H883-F887 AromaticContact CE1-CZ 3.92Å; H883-F887 AromaticContact ND1-CD2 4Å; H883-F887 AromaticContact ND1-CE2 3.74Å; H883-F887 AromaticContact NE2-CD2 3.78Å; H883-F887 AromaticContact NE2-CE2 3.41Å; H883-F887 WeakPolarHBondContact NE2-CE2 3.36Å; H883-F887 VanDerWaalsContact O-CD2 3.28Å; H883-F887 WeakPolarHBondContact O-CD2 3.41Å; H883-F887 PolarHBondContact O-N 3Å
884	L	96.2	Very high	94.7	Very high	32 Å²	32	16.9 Å²	16.9	17%	0.168	9%	0.086	C	C	.	.	H	α-helix	trans	-63.3	-38.9	178.1	-65.9	175	0	0	0	112.6	R868 Y880 Y881 S882 R888 Y920	R868-L884 VanDerWaalsContact NH1-CD1 3.35Å; Y880-L884 WeakPolarHBondContact O-CG 3.35Å; Y880-L884 PolarHBondContact O-N 3.33Å; Y881-L884 HydrophobicContact CD1-CD1 4.29Å; Y881-L884 PolarHBondContact O-N 2.99Å; Y881-L884 VanDerWaalsContact O-N 3.13Å; S882-L884 PolarHBondContact O-N 3.44Å; L884-R888 VanDerWaalsContact O-CB 3.3Å; L884-R888 WeakPolarHBondContact O-CB 3.31Å; L884-R888 PolarHBondContact O-N 3.08Å; L884-Y920 HydrophobicContact CB-CD2 4.31Å
885	A	96.5	Very high	94.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-67.8	-44.1	177.4	0	0	0	0	0	112.1	A686 L688 V700 I702 Y881 S882 H883 F887 R888 A889 Y920	A686-A885 HydrophobicContact CB-CB 3.91Å; L688-A885 HydrophobicContact CD1-CB 4.42Å; V700-A885 HydrophobicContact CG2-CB 3.75Å; I702-A885 HydrophobicContact CD1-CB 3.96Å; I702-A885 HydrophobicContact CG1-CB 4.34Å; Y881-A885 WeakPolarHBondContact O-CB 3.26Å; Y881-A885 PolarHBondContact O-N 3.2Å; S882-A885 PolarHBondContact O-N 3.14Å; H883-A885 VanDerWaalsContact C-N 3.34Å; H883-A885 PolarHBondContact O-N 3.44Å; A885-F887 VanDerWaalsContact C-N 3.32Å; A885-F887 PolarHBondContact O-N 3.33Å; A885-R888 WeakPolarHBondContact O-CB 3.37Å; A885-R888 PolarHBondContact O-N 2.76Å; A885-A889 PolarHBondContact O-N 3.37Å; A885-Y920 HydrophobicContact CB-CD1 4.19Å; A885-Y920 HydrophobicContact CB-CG 4.22Å
886	A	94	Very high	93.6	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.6	-41.7	175.4	0	0	0	0	0	111.7	V684 A686 S882 H883 A889 R890	V684-A886 HydrophobicContact CG1-CB 4.28Å; A686-A886 HydrophobicContact CB-CB 3.95Å; S882-A886 WeakPolarHBondContact O-CB 3.23Å; S882-A886 PolarHBondContact O-N 3Å; H883-A886 PolarHBondContact O-N 3.23Å; A886-A889 PolarHBondContact O-N 3.18Å; A886-R890 PolarHBondContact O-N 2.8Å
887	F	92	Very high	92.9	Very high	49 Å²	49	27.6 Å²	27.6	22%	0.215	16%	0.16	C	C	.	.	H	α-helix	trans	-67.5	-39.7	174.5	-89.2	-100.9	0	0	0	112.8	T672 H883 A885 A889 R890 D891	T672-F887 HydrophobicContact CG2-CD2 4.44Å; T672-F887 HydrophobicContact CG2-CE2 3.94Å; T672-F887 HydrophobicContact CG2-CZ 4.36Å; H883-F887 AromaticContact CE1-CD2 3.69Å; H883-F887 AromaticContact CE1-CE2 3.09Å; H883-F887 WeakPolarHBondContact CE1-CE2 3.25Å; H883-F887 AromaticContact CE1-CZ 3.92Å; H883-F887 AromaticContact ND1-CD2 4Å; H883-F887 AromaticContact ND1-CE2 3.74Å; H883-F887 AromaticContact NE2-CD2 3.78Å; H883-F887 AromaticContact NE2-CE2 3.41Å; H883-F887 WeakPolarHBondContact NE2-CE2 3.36Å; H883-F887 VanDerWaalsContact O-CD2 3.28Å; H883-F887 WeakPolarHBondContact O-CD2 3.41Å; H883-F887 PolarHBondContact O-N 3Å; A885-F887 VanDerWaalsContact C-N 3.32Å; A885-F887 PolarHBondContact O-N 3.33Å; F887-A889 VanDerWaalsContact C-N 3.28Å; F887-A889 PolarHBondContact O-N 3.21Å; F887-R890 WeakPolarHBondContact O-CB 3.42Å; F887-R890 PolarHBondContact O-N 2.92Å; F887-D891 PolarHBondContact O-N 3.4Å; F887-D891 VanDerWaalsContact O-N 3.14Å
888	R	94.4	Very high	92.3	Very high	12 Å²	12	34.3 Å²	34.3	5%	0.045	19%	0.191	C	C	.	.	H	α-helix	trans	-56.7	-42.8	174.3	175.9	65.8	74.1	-153.5	-7.5	111.5	Y606 K610 D614 L884 A885 R890 D891 W892 F919	Y606-R888 PolarHBondContact OH-NH1 2.84Å; Y606-R888 PolarHBondContact OH-NH2 2.99Å; K610-R888 VanDerWaalsContact CE-NH1 3.35Å; D614-R888 VanDerWaalsContact OD2-CD 3.23Å; D614-R888 WeakPolarHBondContact OD2-CD 3.33Å; D614-R888 IonicContact OD2-NE 3.59Å; L884-R888 VanDerWaalsContact O-CB 3.3Å; L884-R888 WeakPolarHBondContact O-CB 3.31Å; L884-R888 PolarHBondContact O-N 3.08Å; A885-R888 WeakPolarHBondContact O-CB 3.37Å; A885-R888 PolarHBondContact O-N 2.76Å; R888-R890 VanDerWaalsContact C-N 3.29Å; R888-R890 PolarHBondContact O-N 3.39Å; R888-D891 IonicContact NH1-OD2 2.75Å; R888-D891 VanDerWaalsContact O-CB 3.29Å; R888-D891 WeakPolarHBondContact O-CB 3.45Å; R888-D891 PolarHBondContact O-N 2.85Å; R888-W892 HydrophobicContact CG-CH2 4.32Å; R888-W892 HydrophobicContact CG-CZ2 3.56Å; R888-W892 PolarHBondContact O-N 2.97Å; R888-W892 VanDerWaalsContact O-N 3.14Å; R888-F919 HydrophobicContact CG-CD2 4.22Å; R888-F919 HydrophobicContact CG-CE2 3.88Å
889	A	93.8	Very high	91.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66	-29.6	176.3	0	0	0	0	0	113.7	V684 I702 A885 A886 F887 D891 W892 L893 F908	V684-A889 HydrophobicContact CG1-CB 3.75Å; I702-A889 HydrophobicContact CD1-CB 4.44Å; I702-A889 HydrophobicContact CG2-CB 3.62Å; A885-A889 PolarHBondContact O-N 3.37Å; A886-A889 PolarHBondContact O-N 3.18Å; F887-A889 VanDerWaalsContact C-N 3.28Å; F887-A889 PolarHBondContact O-N 3.21Å; A889-D891 VanDerWaalsContact C-N 3.31Å; A889-W892 VanDerWaalsContact CA-CE3 3.42Å; A889-W892 HydrophobicContact CB-CD2 4.43Å; A889-W892 HydrophobicContact CB-CE3 3.65Å; A889-W892 HydrophobicContact CB-CZ3 3.85Å; A889-W892 WeakPolarHBondContact O-CB 3.48Å; A889-W892 PolarHBondContact O-N 3Å; A889-L893 WeakPolarHBondContact O-CG 3.09Å; A889-L893 PolarHBondContact O-N 3.16Å; A889-L893 VanDerWaalsContact O-N 3.16Å; A889-F908 HydrophobicContact CB-CD2 4.21Å; A889-F908 HydrophobicContact CB-CE1 4.46Å; A889-F908 HydrophobicContact CB-CE2 3.83Å; A889-F908 HydrophobicContact CB-CZ 3.95Å
890	R	89.5	Confident	91.2	Very high	33 Å²	33	39 Å²	39	13%	0.125	23%	0.228	C	C	.	.	H	α-helix	trans	-66.1	-34.6	170	-66.6	176.7	66.4	146.8	4.4	112.3	H673 V684 A886 F887 R888 W892 L893 S894	H673-R890 PolarHBondContact O-NH1 2.86Å; V684-R890 HydrophobicContact CG2-CG 4.38Å; A886-R890 PolarHBondContact O-N 2.8Å; F887-R890 WeakPolarHBondContact O-CB 3.42Å; F887-R890 PolarHBondContact O-N 2.92Å; R888-R890 VanDerWaalsContact C-N 3.29Å; R888-R890 PolarHBondContact O-N 3.39Å; R890-W892 VanDerWaalsContact C-N 3.34Å; R890-L893 PolarHBondContact O-N 3.4Å; R890-S894 PolarHBondContact O-N 2.83Å
891	D	91.5	Very high	90.9	Very high	42 Å²	42	41.2 Å²	41.2	23%	0.225	25%	0.246	C	C	.	.	H	α-helix	trans	-63.1	-43.3	172.3	-61.2	-44.5	0	0	0	110.3	Y606 P607 F887 R888 A889 L893 S894	Y606-D891 HydrophobicContact CE1-CB 4.42Å; Y606-D891 WeakPolarHBondContact CE1-OD2 3.32Å; P607-D891 WeakPolarHBondContact CB-O 3.38Å; F887-D891 PolarHBondContact O-N 3.4Å; F887-D891 VanDerWaalsContact O-N 3.14Å; R888-D891 IonicContact NH1-OD2 2.75Å; R888-D891 VanDerWaalsContact O-CB 3.29Å; R888-D891 WeakPolarHBondContact O-CB 3.45Å; R888-D891 PolarHBondContact O-N 2.85Å; A889-D891 VanDerWaalsContact C-N 3.31Å; D891-L893 VanDerWaalsContact C-N 3.27Å; D891-L893 PolarHBondContact O-N 2.91Å; D891-S894 WeakPolarHBondContact O-CB 3.25Å; D891-S894 PolarHBondContact O-N 2.84Å
892	W	94	Very high	90.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-59.2	-38.3	177.9	-57.6	-27.5	0	0	0	113.2	K610 R611 D614 L615 I702 R888 A889 R890 S894 V896 L902 F908 V910 F919	K610-W892 PolarHBondContact O-NE1 3.21Å; R611-W892 PolarHBondContact NH1-O 2.81Å; D614-W892 HydrophobicContact CB-CZ2 3.49Å; D614-W892 VanDerWaalsContact CB-CZ2 3.49Å; D614-W892 WeakPolarHBondContact OD2-CZ2 3.1Å; D614-W892 PolarHBondContact OD2-NE1 2.94Å; L615-W892 HydrophobicContact CD1-CB 4.13Å; L615-W892 HydrophobicContact CD1-CD2 3.98Å; L615-W892 HydrophobicContact CD1-CE3 4.17Å; L615-W892 HydrophobicContact CD1-CG 4Å; L615-W892 HydrophobicContact CD2-CD2 3.95Å; L615-W892 HydrophobicContact CD2-CE3 3.87Å; L615-W892 HydrophobicContact CD2-CH2 3.88Å; L615-W892 HydrophobicContact CD2-CZ2 3.93Å; L615-W892 HydrophobicContact CD2-CZ3 3.86Å; L615-W892 HydrophobicContact CG-CD2 4.12Å; L615-W892 HydrophobicContact CG-CE3 4.44Å; L615-W892 HydrophobicContact CG-CG 4.39Å; I702-W892 HydrophobicContact CD1-CH2 3.63Å; I702-W892 HydrophobicContact CD1-CZ3 3.75Å; R888-W892 HydrophobicContact CG-CH2 4.32Å; R888-W892 HydrophobicContact CG-CZ2 3.56Å; R888-W892 PolarHBondContact O-N 2.97Å; R888-W892 VanDerWaalsContact O-N 3.14Å; A889-W892 VanDerWaalsContact CA-CE3 3.42Å; A889-W892 HydrophobicContact CB-CD2 4.43Å; A889-W892 HydrophobicContact CB-CE3 3.65Å; A889-W892 HydrophobicContact CB-CZ3 3.85Å; A889-W892 WeakPolarHBondContact O-CB 3.48Å; A889-W892 PolarHBondContact O-N 3Å; R890-W892 VanDerWaalsContact C-N 3.34Å; W892-S894 VanDerWaalsContact C-N 3.27Å; W892-S894 PolarHBondContact O-N 3.25Å; W892-V896 WeakPolarHBondContact O-CG2 3.37Å; W892-L902 HydrophobicContact CB-CD1 4.36Å; W892-F908 HydrophobicContact CE3-CB 4.23Å; W892-F908 AromaticContact CE3-CD1 3.56Å; W892-F908 HydrophobicContact CE3-CD1 3.56Å; W892-F908 AromaticContact CE3-CE1 3.99Å; W892-F908 HydrophobicContact CE3-CE1 3.99Å; W892-F908 AromaticContact CE3-CG 3.89Å; W892-F908 HydrophobicContact CE3-CG 3.89Å; W892-F908 HydrophobicContact CZ3-CB 3.8Å; W892-F908 HydrophobicContact CZ3-CD1 4.02Å; W892-F908 HydrophobicContact CZ3-CD2 4.49Å; W892-F908 AromaticContact CZ3-CG 3.86Å; W892-F908 HydrophobicContact CZ3-CG 3.86Å; W892-V910 HydrophobicContact CH2-CG2 3.66Å; W892-V910 HydrophobicContact CZ3-CG2 4.06Å; W892-F919 AromaticContact CH2-CE2 3.62Å; W892-F919 HydrophobicContact CH2-CE2 3.62Å; W892-F919 AromaticContact CH2-CZ 3.81Å; W892-F919 HydrophobicContact CH2-CZ 3.81Å; W892-F919 HydrophobicContact CZ2-CD2 4.16Å; W892-F919 AromaticContact CZ2-CE2 3.4Å; W892-F919 HydrophobicContact CZ2-CE2 3.4Å; W892-F919 VanDerWaalsContact CZ2-CE2 3.4Å; W892-F919 HydrophobicContact CZ2-CZ 4.06Å
893	L	90.2	Very high	90.5	Very high	18 Å²	18	42.8 Å²	42.8	9%	0.094	25%	0.254	C	S	.	.	H	α-helix	trans	-71.9	-17.4	178	-67.7	171.6	0	0	0	113.7	V680 V684 A889 R890 D891 G895 P899 F908	V680-L893 HydrophobicContact CG1-CD1 4.38Å; V684-L893 HydrophobicContact CG2-CD1 4.2Å; A889-L893 WeakPolarHBondContact O-CG 3.09Å; A889-L893 PolarHBondContact O-N 3.16Å; A889-L893 VanDerWaalsContact O-N 3.16Å; R890-L893 PolarHBondContact O-N 3.4Å; D891-L893 VanDerWaalsContact C-N 3.27Å; D891-L893 PolarHBondContact O-N 2.91Å; L893-G895 PolarHBondContact O-N 3.21Å; L893-P899 HydrophobicContact CD2-CB 3.74Å; L893-P899 HydrophobicContact CD2-CG 4.41Å; L893-F908 HydrophobicContact CD1-CZ 4.03Å; L893-F908 HydrophobicContact CD2-CE1 4.02Å; L893-F908 HydrophobicContact CD2-CZ 4Å; L893-F908 HydrophobicContact CG-CE1 4.14Å; L893-F908 HydrophobicContact CG-CZ 3.93Å
894	S	87.9	Confident	90.3	Very high	62 Å²	62	45.9 Å²	45.9	43%	0.434	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	127.2	-175.8	-169.3	0	0	0	0	111.6	R611 R890 D891 W892	R611-S894 PolarHBondContact NH1-O 3.17Å; R890-S894 PolarHBondContact O-N 2.83Å; D891-S894 WeakPolarHBondContact O-CB 3.25Å; D891-S894 PolarHBondContact O-N 2.84Å; W892-S894 VanDerWaalsContact C-N 3.27Å; W892-S894 PolarHBondContact O-N 3.25Å
895	G	84.2	Confident	89.9	Confident	69 Å²	69	49.2 Å²	49.2	71%	0.711	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	26.8	179.3	0	0	0	0	0	114.4	L893	L893-G895 PolarHBondContact O-N 3.21Å
896	V	86.2	Confident	89.4	Confident	29 Å²	29	50.1 Å²	50.1	18%	0.176	31%	0.307	C	S	.	.			trans	-113.2	117.8	176.9	-177.4	0	0	0	0	109.6	W892 L902	W892-V896 WeakPolarHBondContact O-CG2 3.37Å; V896-L902 HydrophobicContact CG1-CD1 4.46Å; V896-L902 HydrophobicContact CG2-CD1 4.29Å
897	D	83.4	Confident	89.3	Confident	160 Å²	160	52.7 Å²	52.7	86%	0.856	32%	0.317	S	S	*	.	S	Bend	trans	-71.3	-34.4	-178.6	-62.7	-39.1	0	0	0	112.7	P899	D897-P899 WeakPolarHBondContact O-CD 3.43Å
898	Q	84.6	Confident	89.5	Confident	141 Å²	141	50.4 Å²	50.4	66%	0.659	31%	0.307	S	S	*	.			trans	-119.4	79.5	177.7	-63.8	-176.7	5.2	0	0	112	A900 V901	Q898-A900 PolarHBondContact O-N 3.28Å; Q898-V901 HydrophobicContact CB-CG2 4.22Å; Q898-V901 PolarHBondContact O-N 2.49Å
899	P	84.6	Confident	89.5	Confident	25 Å²	25	54.6 Å²	54.6	16%	0.162	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-55.8	-25.6	-179.5	-29.5	36.4	0	0	0	115.4	V680 L893 D897 V901 L902	V680-P899 HydrophobicContact CG2-CG 3.89Å; L893-P899 HydrophobicContact CD2-CB 3.74Å; L893-P899 HydrophobicContact CD2-CG 4.41Å; D897-P899 WeakPolarHBondContact O-CD 3.43Å; P899-V901 PolarHBondContact O-N 3.04Å; P899-L902 WeakPolarHBondContact O-CB 3.33Å; P899-L902 PolarHBondContact O-N 3.1Å; P899-L902 VanDerWaalsContact O-N 3.12Å
900	A	86.7	Confident	89.5	Confident	74 Å²	74	55.4 Å²	55.4	61%	0.612	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-59.5	-28.7	-178.3	0	0	0	0	0	113.3	Q898 L902 L903	Q898-A900 PolarHBondContact O-N 3.28Å; A900-L902 PolarHBondContact O-N 2.81Å; A900-L903 PolarHBondContact O-N 3.48Å; A900-L903 VanDerWaalsContact O-O 3.13Å
901	V	90.6	Very high	89.8	Confident	92 Å²	92	56.8 Å²	56.8	56%	0.558	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-61.4	-32.3	178.5	179.1	0	0	0	0	111.6	Q898 P899 L903 K909	Q898-V901 HydrophobicContact CB-CG2 4.22Å; Q898-V901 PolarHBondContact O-N 2.49Å; P899-V901 PolarHBondContact O-N 3.04Å; V901-L903 PolarHBondContact O-N 3.32Å; V901-K909 PolarHBondContact O-NZ 3.08Å
902	L	92.8	Very high	89.8	Confident	15 Å²	15	58.8 Å²	58.8	8%	0.079	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-78	-6.5	-180	-52	-175.6	0	0	0	113.3	R611 L615 W892 V896 P899 A900 F908 K909	R611-L902 HydrophobicContact CG-CD2 4.37Å; L615-L902 HydrophobicContact CD1-CB 4.22Å; L615-L902 HydrophobicContact CD1-CD1 4.24Å; L615-L902 HydrophobicContact CD1-CD2 4.03Å; L615-L902 HydrophobicContact CD1-CG 4.39Å; W892-L902 HydrophobicContact CB-CD1 4.36Å; V896-L902 HydrophobicContact CG1-CD1 4.46Å; V896-L902 HydrophobicContact CG2-CD1 4.29Å; P899-L902 WeakPolarHBondContact O-CB 3.33Å; P899-L902 PolarHBondContact O-N 3.1Å; P899-L902 VanDerWaalsContact O-N 3.12Å; A900-L902 PolarHBondContact O-N 2.81Å; L902-F908 HydrophobicContact CB-CD1 4.32Å; L902-F908 HydrophobicContact CB-CE1 4.48Å; L902-K909 PolarHBondContact O-N 3.2Å
903	L	92.1	Very high	89.6	Confident	18 Å²	18	61.2 Å²	61.2	9%	0.094	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	149.2	-169.7	-56.9	171.2	0	0	0	111.1	Q704 A900 V901 R907 F908 K909	Q704-L903 HydrophobicContact CB-CD1 4.1Å; Q704-L903 HydrophobicContact CB-CD2 4.22Å; A900-L903 PolarHBondContact O-N 3.48Å; A900-L903 VanDerWaalsContact O-O 3.13Å; V901-L903 PolarHBondContact O-N 3.32Å; L903-R907 CarbonylContact C-O 3.59Å; L903-R907 WeakPolarHBondContact CA-O 3.46Å; L903-F908 HydrophobicContact CD2-CB 4.36Å; L903-F908 HydrophobicContact CD2-CD1 3.56Å; L903-F908 HydrophobicContact CD2-CD2 3.73Å; L903-F908 HydrophobicContact CD2-CE1 3.68Å; L903-F908 HydrophobicContact CD2-CE2 3.84Å; L903-F908 HydrophobicContact CD2-CG 3.61Å; L903-F908 HydrophobicContact CD2-CZ 3.82Å; L903-K909 WeakPolarHBondContact O-CE 3.45Å; L903-K909 PolarHBondContact O-NZ 2.89Å
904	D	90.7	Very high	89.6	Confident	93 Å²	93	60.4 Å²	60.4	50%	0.497	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	114.3	160.7	176.8	16.6	0	0	0	108.1	G906 R907 K909	D904-G906 PolarHBondContact O-N 3.25Å; D904-R907 PolarHBondContact N-O 3.38Å; D904-R907 WeakPolarHBondContact O-CA 3.36Å; D904-R907 VanDerWaalsContact O-CB 3.29Å; D904-R907 WeakPolarHBondContact O-CB 3.38Å; D904-R907 PolarHBondContact O-N 3.48Å; D904-K909 HydrophobicContact CB-CG 4.27Å
905	S	87.4	Confident	89.5	Confident	101 Å²	101	58.9 Å²	58.9	71%	0.706	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	41.8	179.2	-54.8	0	0	0	0	112.9	R703 R907	R703-S905 PolarHBondContact NH1-O 2.94Å; R703-S905 PolarHBondContact NH2-O 2.94Å; S905-R907 VanDerWaalsContact C-N 3.34Å; S905-R907 PolarHBondContact O-N 2.99Å
906	G	87.4	Confident	89.3	Confident	19 Å²	19	58.3 Å²	58.3	20%	0.196	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	-17.7	-176.7	0	0	0	0	0	115.9	R703 Q704 D904	R703-G906 CarbonylContact C-O 3.42Å; R703-G906 VanDerWaalsContact CA-O 3.26Å; R703-G906 WeakPolarHBondContact CA-O 3.2Å; Q704-G906 PolarHBondContact N-O 3.07Å; D904-G906 PolarHBondContact O-N 3.25Å
907	R	92.5	Very high	89.2	Confident	55 Å²	55	57 Å²	57	21%	0.208	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	134.7	175.9	-170.4	177.4	168.9	-75.6	-2.7	110.9	V701 R703 E728 L903 D904 S905	V701-R907 HydrophobicContact CG1-CG 4.16Å; R703-R907 HydrophobicContact CG-CB 4.45Å; E728-R907 IonicContact OE1-CZ 2.7Å; E728-R907 IonicContact OE1-NE 3.53Å; E728-R907 IonicContact OE1-NH2 3.77Å; E728-R907 PolarHBondContact OE1-NH2 3.16Å; E728-R907 IonicContact OE2-CZ 3.74Å; E728-R907 IonicContact OE2-NE 3.49Å; E728-R907 PolarHBondContact OE2-NE 3.32Å; E728-R907 IonicContact OE2-NH2 3.78Å; E728-R907 PolarHBondContact OE2-NH2 3.1Å; L903-R907 CarbonylContact C-O 3.59Å; L903-R907 WeakPolarHBondContact CA-O 3.46Å; D904-R907 PolarHBondContact N-O 3.38Å; D904-R907 WeakPolarHBondContact O-CA 3.36Å; D904-R907 VanDerWaalsContact O-CB 3.29Å; D904-R907 WeakPolarHBondContact O-CB 3.38Å; D904-R907 PolarHBondContact O-N 3.48Å; S905-R907 VanDerWaalsContact C-N 3.34Å; S905-R907 PolarHBondContact O-N 2.99Å
908	F	94.8	Very high	89.7	Confident	1 Å²	1	49.5 Å²	49.5	0%	0.004	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	135.5	171.4	-76.7	-89	0	0	0	111.5	V684 I702 Q704 A889 W892 L893 L902 L903 V910	V684-F908 HydrophobicContact CG1-CE2 4.43Å; I702-F908 HydrophobicContact CB-CD2 4.08Å; I702-F908 HydrophobicContact CG2-CD2 3.76Å; I702-F908 HydrophobicContact CG2-CE2 4.12Å; I702-F908 PolarHBondContact O-N 2.79Å; Q704-F908 HydrophobicContact CB-CE2 4.14Å; A889-F908 HydrophobicContact CB-CD2 4.21Å; A889-F908 HydrophobicContact CB-CE1 4.46Å; A889-F908 HydrophobicContact CB-CE2 3.83Å; A889-F908 HydrophobicContact CB-CZ 3.95Å; W892-F908 HydrophobicContact CE3-CB 4.23Å; W892-F908 AromaticContact CE3-CD1 3.56Å; W892-F908 HydrophobicContact CE3-CD1 3.56Å; W892-F908 AromaticContact CE3-CE1 3.99Å; W892-F908 HydrophobicContact CE3-CE1 3.99Å; W892-F908 AromaticContact CE3-CG 3.89Å; W892-F908 HydrophobicContact CE3-CG 3.89Å; W892-F908 HydrophobicContact CZ3-CB 3.8Å; W892-F908 HydrophobicContact CZ3-CD1 4.02Å; W892-F908 HydrophobicContact CZ3-CD2 4.49Å; W892-F908 AromaticContact CZ3-CG 3.86Å; W892-F908 HydrophobicContact CZ3-CG 3.86Å; L893-F908 HydrophobicContact CD1-CZ 4.03Å; L893-F908 HydrophobicContact CD2-CE1 4.02Å; L893-F908 HydrophobicContact CD2-CZ 4Å; L893-F908 HydrophobicContact CG-CE1 4.14Å; L893-F908 HydrophobicContact CG-CZ 3.93Å; L902-F908 HydrophobicContact CB-CD1 4.32Å; L902-F908 HydrophobicContact CB-CE1 4.48Å; L903-F908 HydrophobicContact CD2-CB 4.36Å; L903-F908 HydrophobicContact CD2-CD1 3.56Å; L903-F908 HydrophobicContact CD2-CD2 3.73Å; L903-F908 HydrophobicContact CD2-CE1 3.68Å; L903-F908 HydrophobicContact CD2-CE2 3.84Å; L903-F908 HydrophobicContact CD2-CG 3.61Å; L903-F908 HydrophobicContact CD2-CZ 3.82Å; F908-V910 HydrophobicContact CB-CG2 4.41Å; F908-V910 PolarHBondContact O-N 3.46Å
909	K	94.4	Very high	90.2	Very high	100 Å²	100	42.9 Å²	42.9	44%	0.435	26%	0.263	S	S	.	.			trans	-77	63.8	177.2	-65.9	174.7	179.4	158.2	0	111.2	V901 L902 L903 D904 H911	V901-K909 PolarHBondContact O-NZ 3.08Å; L902-K909 PolarHBondContact O-N 3.2Å; L903-K909 WeakPolarHBondContact O-CE 3.45Å; L903-K909 PolarHBondContact O-NZ 2.89Å; D904-K909 HydrophobicContact CB-CG 4.27Å; K909-H911 PolarHBondContact O-N 3.16Å
910	V	95	Very high	90.6	Very high	16 Å²	16	41.9 Å²	41.9	10%	0.097	26%	0.256	C	S	.	.			trans	-60.9	129.9	173.6	179.5	0	0	0	0	108.6	L615 W892 F908 Q914 V915 F919	L615-V910 HydrophobicContact CD2-CG2 4.13Å; W892-V910 HydrophobicContact CH2-CG2 3.66Å; W892-V910 HydrophobicContact CZ3-CG2 4.06Å; F908-V910 HydrophobicContact CB-CG2 4.41Å; F908-V910 PolarHBondContact O-N 3.46Å; V910-Q914 HydrophobicContact CG1-CB 3.74Å; V910-V915 HydrophobicContact CG1-CG2 4.34Å; V910-F919 HydrophobicContact CG1-CD1 4.48Å; V910-F919 HydrophobicContact CG1-CE1 3.85Å; V910-F919 HydrophobicContact CG1-CZ 4.19Å; V910-F919 HydrophobicContact CG2-CZ 4.33Å
911	H	94.9	Very high	90.9	Very high	62 Å²	62	38.7 Å²	38.7	29%	0.287	23%	0.229	S	C	.	.			trans	-58	140	-178.3	-173.5	-88.2	0	0	0	110.2	D614 Q616 G618 K909 S913 Q914 V915	D614-H911 WeakPolarHBondContact O-CB 3.34Å; D614-H911 PolarHBondContact O-N 2.89Å; Q616-H911 PolarHBondContact O-CD2 2.78Å; G618-H911 WeakPolarHBondContact CA-ND1 3.49Å; K909-H911 PolarHBondContact O-N 3.16Å; H911-S913 PolarHBondContact CE1-OG 2.92Å; H911-S913 WeakPolarHBondContact ND1-CB 3.1Å; H911-S913 PolarHBondContact ND1-N 3.27Å; H911-S913 VanDerWaalsContact ND1-N 3.19Å; H911-S913 PolarHBondContact ND1-OG 3.23Å; H911-S913 PolarHBondContact O-N 3.29Å; H911-S913 VanDerWaalsContact O-N 3.16Å; H911-Q914 HydrophobicContact CB-CG 4.04Å; H911-Q914 WeakPolarHBondContact O-CA 3.42Å; H911-Q914 WeakPolarHBondContact O-CB 3.1Å; H911-Q914 PolarHBondContact O-N 2.93Å; H911-V915 PolarHBondContact O-N 3.24Å
912	A	91.4	Very high	90.9	Very high	84 Å²	84	36.1 Å²	36.1	69%	0.694	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-56.1	-38.7	-173.2	0	0	0	0	0	112.8	Q914 V915	A912-Q914 PolarHBondContact O-N 3.38Å; A912-Q914 VanDerWaalsContact O-N 3.11Å; A912-V915 PolarHBondContact O-N 3.17Å
913	S	89.6	Confident	90.8	Very high	51 Å²	51	37.2 Å²	37.2	36%	0.357	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-65.7	-9.6	175.6	75.6	0	0	0	0	114.2	G618 R620 H911	G618-S913 WeakPolarHBondContact CA-OG 3.37Å; G618-S913 PolarHBondContact O-OG 3.42Å; R620-S913 PolarHBondContact NH2-O 3.41Å; H911-S913 PolarHBondContact CE1-OG 2.92Å; H911-S913 WeakPolarHBondContact ND1-CB 3.1Å; H911-S913 PolarHBondContact ND1-N 3.27Å; H911-S913 VanDerWaalsContact ND1-N 3.19Å; H911-S913 PolarHBondContact ND1-OG 3.23Å; H911-S913 PolarHBondContact O-N 3.29Å; H911-S913 VanDerWaalsContact O-N 3.16Å
914	Q	91.7	Very high	90.8	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-101.8	-22.6	-177.7	-59	-72.8	-43.7	0	0	113.3	G618 R620 V910 H911 A912 D916 G917 F919	G618-Q914 PolarHBondContact O-NE2 3.49Å; R620-Q914 VanDerWaalsContact CD-NE2 3.34Å; R620-Q914 VanDerWaalsContact NH1-CA 3.32Å; R620-Q914 PolarHBondContact NH1-O 3.44Å; V910-Q914 HydrophobicContact CG1-CB 3.74Å; H911-Q914 HydrophobicContact CB-CG 4.04Å; H911-Q914 WeakPolarHBondContact O-CA 3.42Å; H911-Q914 WeakPolarHBondContact O-CB 3.1Å; H911-Q914 PolarHBondContact O-N 2.93Å; A912-Q914 PolarHBondContact O-N 3.38Å; A912-Q914 VanDerWaalsContact O-N 3.11Å; Q914-D916 VanDerWaalsContact C-N 3.27Å; Q914-D916 PolarHBondContact O-N 2.87Å; Q914-G917 PolarHBondContact O-N 3.29Å; Q914-F919 HydrophobicContact CB-CD1 4.03Å; Q914-F919 WeakPolarHBondContact O-CD1 3.37Å
915	V	84.8	Confident	90.8	Very high	30 Å²	30	35 Å²	35	18%	0.182	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-34.6	-168.1	176	0	0	0	0	113.6	G699 L732 V910 H911 A912	G699-V915 WeakPolarHBondContact CA-O 3.4Å; L732-V915 HydrophobicContact CD2-CG1 4.17Å; V910-V915 HydrophobicContact CG1-CG2 4.34Å; H911-V915 PolarHBondContact O-N 3.24Å; A912-V915 PolarHBondContact O-N 3.17Å
916	D	80.9	Confident	91	Very high	57 Å²	57	30.9 Å²	30.9	31%	0.305	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	0.5	-177.8	70.3	-24.1	0	0	0	114	R620 R697 L732 Q914	R620-D916 IonicContact NH2-OD1 2.66Å; R697-D916 PolarHBondContact NH2-O 3.21Å; L732-D916 HydrophobicContact CD1-CB 4.35Å; Q914-D916 VanDerWaalsContact C-N 3.27Å; Q914-D916 PolarHBondContact O-N 2.87Å
917	G	82.6	Confident	91.2	Very high	2 Å²	2	31.7 Å²	31.7	2%	0.021	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	140	175.3	0	0	0	0	0	110.1	R620 Q914 F919	R620-G917 PolarHBondContact NH1-O 2.85Å; R620-G917 VanDerWaalsContact NH2-CA 3.29Å; Q914-G917 PolarHBondContact O-N 3.29Å; G917-F919 WeakPolarHBondContact O-CD1 3.01Å; G917-F919 PolarHBondContact O-N 3.14Å
918	M	94.3	Very high	91.1	Very high	2 Å²	2	30 Å²	30	1%	0.01	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	61.6	-171.9	-55.3	171.6	72.3	0	0	110.6	K645 Y698 M867 Y881 Y920 L921	K645-M918 WeakPolarHBondContact CG-O 3.45Å; Y698-M918 HydrophobicContact CD2-CE 3.95Å; M867-M918 HydrophobicContact SD-SD 4.15Å; Y881-M918 HydrophobicContact CD1-CE 4.49Å; Y881-M918 HydrophobicContact CD2-CE 3.8Å; Y881-M918 HydrophobicContact CE1-CE 4.1Å; Y881-M918 HydrophobicContact CE2-CE 3.34Å; Y881-M918 HydrophobicContact CG-CE 4.36Å; M918-Y920 HydrophobicContact CB-CE1 4.4Å; M918-Y920 HydrophobicContact CB-CE2 4.07Å; M918-Y920 HydrophobicContact CE-CE2 4.38Å; M918-Y920 PolarHBondContact O-N 3.27Å; M918-Y920 VanDerWaalsContact O-N 3.09Å; M918-L921 HydrophobicContact CB-CD1 3.54Å; M918-L921 HydrophobicContact CB-CD2 4.5Å; M918-L921 HydrophobicContact CB-CG 3.71Å; M918-L921 HydrophobicContact CE-CD1 4.06Å; M918-L921 HydrophobicContact CE-CD2 4.1Å; M918-L921 HydrophobicContact CE-CG 4.41Å; M918-L921 HydrophobicContact CG-CD1 4.46Å; M918-L921 WeakPolarHBondContact O-CB 3.17Å; M918-L921 VanDerWaalsContact O-CG 3.25Å; M918-L921 WeakPolarHBondContact O-CG 3.25Å; M918-L921 PolarHBondContact O-N 3.4Å; M918-L921 VanDerWaalsContact O-N 3.13Å; M918-L921 HydrophobicContact SD-CD1 4.16Å
919	F	94.2	Very high	90.8	Very high	3 Å²	3	32.2 Å²	32.2	1%	0.013	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.3	-173	63.7	-94.4	0	0	0	113.3	D614 V700 I702 R888 W892 V910 Q914 G917 L921	D614-F919 HydrophobicContact CB-CD2 4.24Å; V700-F919 HydrophobicContact CG1-CE1 3.58Å; V700-F919 HydrophobicContact CG1-CZ 3.68Å; I702-F919 HydrophobicContact CD1-CZ 4.09Å; R888-F919 HydrophobicContact CG-CD2 4.22Å; R888-F919 HydrophobicContact CG-CE2 3.88Å; W892-F919 AromaticContact CH2-CE2 3.62Å; W892-F919 HydrophobicContact CH2-CE2 3.62Å; W892-F919 AromaticContact CH2-CZ 3.81Å; W892-F919 HydrophobicContact CH2-CZ 3.81Å; W892-F919 HydrophobicContact CZ2-CD2 4.16Å; W892-F919 AromaticContact CZ2-CE2 3.4Å; W892-F919 HydrophobicContact CZ2-CE2 3.4Å; W892-F919 VanDerWaalsContact CZ2-CE2 3.4Å; W892-F919 HydrophobicContact CZ2-CZ 4.06Å; V910-F919 HydrophobicContact CG1-CD1 4.48Å; V910-F919 HydrophobicContact CG1-CE1 3.85Å; V910-F919 HydrophobicContact CG1-CZ 4.19Å; V910-F919 HydrophobicContact CG2-CZ 4.33Å; Q914-F919 HydrophobicContact CB-CD1 4.03Å; Q914-F919 WeakPolarHBondContact O-CD1 3.37Å; G917-F919 WeakPolarHBondContact O-CD1 3.01Å; G917-F919 PolarHBondContact O-N 3.14Å; F919-L921 VanDerWaalsContact C-N 3.3Å; F919-L921 PolarHBondContact O-N 3.13Å
920	Y	94.1	Very high	90.6	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.016	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-8.8	180	48.1	-98.6	0	0	0	114.6	L688 Y698 V700 Y881 L884 A885 M918	L688-Y920 HydrophobicContact CD2-CE1 3.95Å; L688-Y920 HydrophobicContact CD2-CE2 4.07Å; L688-Y920 VanDerWaalsContact CD2-CZ 3.44Å; L688-Y920 WeakPolarHBondContact CD2-OH 3.47Å; Y698-Y920 WeakPolarHBondContact CB-OH 3.32Å; Y698-Y920 PolarHBondContact O-OH 3.11Å; V700-Y920 HydrophobicContact CB-CE1 4.16Å; V700-Y920 HydrophobicContact CG1-CD1 4.03Å; V700-Y920 HydrophobicContact CG1-CE1 3.84Å; Y881-Y920 AromaticContact CD1-CE2 3.99Å; Y881-Y920 HydrophobicContact CD1-CE2 3.99Å; Y881-Y920 AromaticContact CG-CE2 3.8Å; Y881-Y920 HydrophobicContact CG-CE2 3.8Å; L884-Y920 HydrophobicContact CB-CD2 4.31Å; A885-Y920 HydrophobicContact CB-CD1 4.19Å; A885-Y920 HydrophobicContact CB-CG 4.22Å; M918-Y920 HydrophobicContact CB-CE1 4.4Å; M918-Y920 HydrophobicContact CB-CE2 4.07Å; M918-Y920 HydrophobicContact CE-CE2 4.38Å; M918-Y920 PolarHBondContact O-N 3.27Å; M918-Y920 VanDerWaalsContact O-N 3.09Å
921	L	93.1	Very high	90.2	Very high	7 Å²	7	27.5 Å²	27.5	4%	0.037	18%	0.175	C	C	.	.			trans	-63.1	0	179.8	-62.6	178.8	0	0	0	115.2	K645 R868 Y881 M918 F919	K645-L921 WeakPolarHBondContact CE-O 3.27Å; K645-L921 HydrophobicContact CG-CB 4.31Å; K645-L921 PolarHBondContact NZ-O 2.95Å; R868-L921 WeakPolarHBondContact CD-OXT 3.35Å; R868-L921 HydrophobicContact CG-CB 4.19Å; R868-L921 HydrophobicContact CG-CD2 3.68Å; R868-L921 HydrophobicContact CG-CG 4.43Å; R868-L921 VanDerWaalsContact CZ-OXT 3.25Å; R868-L921 PolarHBondContact NE-OXT 3.1Å; R868-L921 PolarHBondContact NH2-OXT 3.38Å; Y881-L921 HydrophobicContact CD1-CD2 3.69Å; Y881-L921 HydrophobicContact CE1-CD2 3.34Å; M918-L921 HydrophobicContact CB-CD1 3.54Å; M918-L921 HydrophobicContact CB-CD2 4.5Å; M918-L921 HydrophobicContact CB-CG 3.71Å; M918-L921 HydrophobicContact CE-CD1 4.06Å; M918-L921 HydrophobicContact CE-CD2 4.1Å; M918-L921 HydrophobicContact CE-CG 4.41Å; M918-L921 HydrophobicContact CG-CD1 4.46Å; M918-L921 WeakPolarHBondContact O-CB 3.17Å; M918-L921 VanDerWaalsContact O-CG 3.25Å; M918-L921 WeakPolarHBondContact O-CG 3.25Å; M918-L921 PolarHBondContact O-N 3.4Å; M918-L921 VanDerWaalsContact O-N 3.13Å; M918-L921 HydrophobicContact SD-CD1 4.16Å; F919-L921 VanDerWaalsContact C-N 3.3Å; F919-L921 PolarHBondContact O-N 3.13Å

Retrieved 921 of 921 residues in 1235.1 ms (Link to these results)

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