A0A5K4FDA7_SCHMA Loading...

Spc7 domain-containing protein

AlphaFold DB (A0A5K4FCC7), UniProt , Accession A0A5K4FDA7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,076 aa.

						>A0A5K4FDA7_SCHMA|A0A5K4FDA7
MEADKLNRFNELDDNEVVQSNPIMDISEENYHNDYDIEHGNYEQNDDFDPEITADSSSDTSSYEDNEQHAVKENEDEIEGGEEEVEIGSKVHSSMIGEYDLGYHQHYDNTDYTDEEEMIFTTNAQNIKDNKEEINPFANDDFGDISIITTTTTIENKNKSIERKTSIDELKTIARPRVKPVRQETLSGNNPFRKRSDIDEPDMLNIDPHITDTADISTDELTRIASGIKLISPQNKISLHSKIKDSFDSNTSESFNGEVEVSKDELQNSEIIQTIENVNVNLDGFDPLQTIYPDSEDENSSHSNESRTLHITINQDQQQNTAMKSKSTVVSTDKDSELPITIQPPPQQSKSMNILDFNIESISNEENKMITEEDNHSTNETNANISPTTPPGWVDFFDDDDINNNNNDNNNNSNALSNVTAFKLDKDVVDKAFEIQLEQEDENNRSKPEPSYPEPPRPETPDPELDIPFHPFVNTEDTWRLWLRYPEKKTRVKQISKYTTDRYWREVAVRLIEEHGRKVIALHEIIENTDKISPEPYRTVRIEPYMQLSREKLQQYDKYGKLHVFKLNHVSYKELVGMRPEKFSIKNLQNLVTHKPKQNITLDHIPIYTEILKFGSLDQSRIRRLMPVFEDALMKIPSHKDTSLNYSREEVCCYVVDEYEGKLNVHGTILEQKARTRIFCTAFVNGGPHIVLGLNDKWRFGREVVRRSDILPVMHDEWINIQKPEFHSCVQMDEYEKDHMLQFYPLDGCRFELLRFRVSLRGNRELPMQVKVTYTIDGRRVSMRCDLLVPGYFSASKRSGAVPCEKVEINIPFPEEWIYHFRVEKHHKYGSVHSTLRKPGKIKGLERITQMAQSLLPPSMLEASIGVAKYEHLYKAIVWRIPRVPEKSEASFRPHLLTCNLVLAPHDTVPEWETLIPYCQIEYTMPSSTVSGATVRSISVEHTGNVEKFVKYLTKYKYTMDIDYQLGSRKEPVLKSLLDENTSSLYETSNEQTSSNRKYEQNASNNNISDNNNNHAMESEEYHRVNNVTTVISDEAQTNQTAPTEFGDLLGLGAEFDIPSDVRSEQSKSSNTDNIF
					

Structure Viewer

Loading PAE data...

(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	40.2	Very low	36	Very low	220 Å²	220	175.1 Å²	175.1	100%	1.084	86%	0.864	S	S	*	*				0	64	0	-57.6	-179.6	-77.4	0	0	109.2
2	E	28.8	Very low	36.1	Very low	180 Å²	180	171.7 Å²	171.7	84%	0.841	85%	0.85	S	S	*	*			cis	63.1	109	31.5	-63.2	156.2	126.4	0	0	113.9	D4	E2-D4 PolarHBondContact O-N 2.82Å
3	A	32.3	Very low	36.3	Very low	99 Å²	99	168.1 Å²	168.1	82%	0.818	84%	0.836	S	S	*	*				35.3	82	125.8	0	0	0	0	0	117.8
4	D	42.4	Very low	36.2	Very low	159 Å²	159	165.1 Å²	165.1	85%	0.85	83%	0.825	S	S	*	*			trans	-160.9	95	152	-105.4	-28.4	0	0	0	109.1	E2	E2-D4 PolarHBondContact O-N 2.82Å
5	K	44.1	Very low	36.2	Very low	211 Å²	211	164.4 Å²	164.4	92%	0.917	83%	0.825	S	S	*	*			trans	-175.1	-6	161.4	-109.2	165.1	-172.5	-172.9	0	117.4
6	L	35.1	Very low	36.2	Very low	169 Å²	169	166.2 Å²	166.2	89%	0.885	83%	0.83	S	S	*	*			trans	-87.5	105.1	164.1	-88.2	105.2	0	0	0	110.5
7	N	33.3	Very low	36.1	Very low	153 Å²	153	163.9 Å²	163.9	82%	0.818	83%	0.827	S	S	*	*			trans	158.5	101	144.4	-86	-23	0	0	0	111.1
8	R	38.1	Very low	36	Very low	222 Å²	222	162.9 Å²	162.9	84%	0.838	83%	0.83	S	S	*	*			trans	155.5	119.5	165.5	-94.5	175.4	-144.6	-134	9.1	106.1
9	F	34.4	Very low	35.8	Very low	179 Å²	179	163.7 Å²	163.7	79%	0.785	83%	0.83	S	S	*	*			cis	-141.7	137	5.3	-92.1	-94.6	0	0	0	109.3
10	N	29	Very low	35.6	Very low	155 Å²	155	161.3 Å²	161.3	83%	0.829	83%	0.828	S	S	*	*			trans	-102.6	129.7	148.4	-81.3	-11.9	0	0	0	106.1
11	E	38.4	Very low	35.5	Very low	179 Å²	179	161 Å²	161	84%	0.836	83%	0.829	S	S	*	*			trans	172.9	130.5	138	-102.1	173.2	-175.9	0	0	112.9
12	L	37.7	Very low	35.4	Very low	134 Å²	134	156 Å²	156	70%	0.702	81%	0.812	S	S	*	*			trans	90.4	96	148.4	-59.3	162.1	0	0	0	121.5
13	D	38.2	Very low	35.7	Very low	125 Å²	125	155.5 Å²	155.5	67%	0.668	81%	0.814	S	S	*	*				77.8	104.6	116.1	-60.7	7.8	0	0	0	122.9
14	D	35.3	Very low	35.7	Very low	127 Å²	127	158.4 Å²	158.4	68%	0.679	81%	0.812	S	S	*	*				52.3	110.4	115.3	-55.4	-4.6	0	0	0	121.2
15	N	36.2	Very low	35.3	Very low	154 Å²	154	158.4 Å²	158.4	82%	0.824	81%	0.812	S	S	*	*				174.5	161	92.9	-93.2	-68.4	0	0	0	114.9
16	E	35.6	Very low	34.9	Very low	193 Å²	193	155.7 Å²	155.7	90%	0.902	81%	0.806	S	S	*	*			trans	79.2	142.6	169.6	-61.2	-162.9	150.1	0	0	119.8
17	V	34.3	Very low	35	Very low	128 Å²	128	152.5 Å²	152.5	78%	0.776	80%	0.798	S	S	*	*			trans	-140.7	126.3	-151.9	170.7	0	0	0	0	110.1
18	V	34.7	Very low	35	Very low	146 Å²	146	152.9 Å²	152.9	89%	0.885	80%	0.795	S	S	*	*			trans	-141.3	143.7	153.4	-176.2	0	0	0	0	108.8
19	Q	31.4	Very low	34.8	Very low	178 Å²	178	150.2 Å²	150.2	83%	0.832	79%	0.792	S	S	*	*			trans	-88.5	142.8	-163.8	-60	160.4	-74	0	0	113.7
20	S	32.8	Very low	34.9	Very low	114 Å²	114	147.5 Å²	147.5	80%	0.797	79%	0.786	S	S	*	*			trans	-140.4	138.3	152.2	59.1	0	0	0	0	109.7
21	N	33.6	Very low	35.2	Very low	156 Å²	156	152 Å²	152	83%	0.834	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-76.3	135.5	-169.3	-63.5	-44.2	0	0	0	112.1
22	P	37.1	Very low	35.1	Very low	114 Å²	114	150.9 Å²	150.9	74%	0.74	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-83	141	169.4	33.3	-32.2	0	0	0	111.2
23	I	35.4	Very low	34.9	Very low	170 Å²	170	150 Å²	150	87%	0.872	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-70.6	132.5	163.9	-67.8	170.6	0	0	0	107.6	D25	I23-D25 PolarHBondContact O-N 3.46Å; I23-D25 VanDerWaalsContact O-N 3.13Å
24	M	32.7	Very low	34.8	Very low	161 Å²	161	150.3 Å²	150.3	79%	0.793	79%	0.785	S	S	*	*			trans	-72.9	104	-175.9	-69.1	-170.4	-62.7	0	0	112.2
25	D	34.9	Very low	34.9	Very low	158 Å²	158	153.6 Å²	153.6	85%	0.845	79%	0.789	S	S	*	*			trans	-74.3	122.9	146.7	-94.6	-38.7	0	0	0	108.6	I23	I23-D25 PolarHBondContact O-N 3.46Å; I23-D25 VanDerWaalsContact O-N 3.13Å
26	I	35.7	Very low	35	Very low	154 Å²	154	152.7 Å²	152.7	79%	0.79	78%	0.784	S	S	*	*			trans	-96.6	89.5	170.6	-57	177.6	0	0	0	107.7
27	S	35.8	Very low	34.9	Very low	103 Å²	103	150 Å²	150	72%	0.72	78%	0.775	S	S	*	*			trans	-91.2	142.4	163.1	47.1	0	0	0	0	110.6
28	E	33.7	Very low	35	Very low	160 Å²	160	153.2 Å²	153.2	75%	0.748	78%	0.782	S	S	*	*			trans	-73.6	122.7	-179.1	-61.6	172.4	152.9	0	0	110.9
29	E	34.6	Very low	34.9	Very low	167 Å²	167	155 Å²	155	78%	0.78	78%	0.78	S	S	*	*			trans	-141.6	144.5	160	-83.9	-152.7	176.4	0	0	113.5
30	N	35.4	Very low	35.1	Very low	122 Å²	122	150 Å²	150	65%	0.652	78%	0.776	S	S	*	*			trans	69.6	87.9	158.9	-57.4	-42.4	0	0	0	119.4
31	Y	35.9	Very low	35	Very low	249 Å²	249	152 Å²	152	98%	0.976	78%	0.778	S	S	*	*				-136.5	124.8	121.2	-95.7	-79.6	0	0	0	109.8
32	H	36.3	Very low	35.1	Very low	155 Å²	155	155.7 Å²	155.7	72%	0.718	78%	0.782	S	S	*	*			trans	-131.1	124.7	-174.4	-156	58.5	0	0	0	109.8
33	N	34.1	Very low	34.9	Very low	116 Å²	116	158.6 Å²	158.6	62%	0.62	79%	0.785	S	S	*	*			trans	57.8	137.3	165.1	-48.3	-20.4	0	0	0	116.7
34	D	36.3	Very low	34.8	Very low	132 Å²	132	158.2 Å²	158.2	71%	0.706	78%	0.78	S	S	*	*				-156	154.1	66.6	-89.5	-27.4	0	0	0	113.3
35	Y	36.5	Very low	34.9	Very low	195 Å²	195	155.7 Å²	155.7	77%	0.765	77%	0.77	S	S	*	*			trans	17.7	145	144.9	-59.7	-88.6	0	0	0	120.5
36	D	37.3	Very low	34.8	Very low	135 Å²	135	154.3 Å²	154.3	72%	0.722	76%	0.762	S	S	*	*			cis	-160	176.9	20.8	-132.9	-32.7	0	0	0	113.7
37	I	34.5	Very low	34.7	Very low	138 Å²	138	154 Å²	154	71%	0.708	76%	0.762	S	S	*	*			trans	-80.7	137.7	-176.3	-63.8	154.9	0	0	0	112.8
38	E	35.7	Very low	34.8	Very low	195 Å²	195	158.9 Å²	158.9	91%	0.911	77%	0.77	S	S	*	*			trans	-161.2	147.3	134.8	-116.5	172.6	-154.2	0	0	114.8
39	H	34.2	Very low	35	Very low	183 Å²	183	157.7 Å²	157.7	85%	0.847	77%	0.769	S	S	*	*			trans	-90.1	146.5	-176.9	-75	-88.5	0	0	0	112.5
40	G	34.4	Very low	35.1	Very low	72 Å²	72	155.1 Å²	155.1	74%	0.742	77%	0.767	S	S	*	*			trans	-164.8	91.8	169.3	0	0	0	0	0	114
41	N	30.6	Very low	35.2	Very low	157 Å²	157	157.8 Å²	157.8	84%	0.84	78%	0.776	S	S	*	*			trans	-72.4	133.1	166.6	-70.8	-20	0	0	0	109.9
42	Y	36.3	Very low	35.2	Very low	234 Å²	234	152 Å²	152	92%	0.918	76%	0.76	S	S	*	*			trans	-140	120.6	152.1	-95	-79.2	0	0	0	110.2
43	E	31.8	Very low	35.3	Very low	174 Å²	174	151.5 Å²	151.5	81%	0.813	77%	0.768	S	S	*	*			trans	-81.2	170.5	166.3	-65.5	179	127.2	0	0	110.6
44	Q	34.6	Very low	35.4	Very low	163 Å²	163	150 Å²	150	76%	0.762	77%	0.773	S	S	*	*			trans	90.4	124.4	145.1	-95	-164	-33.6	0	0	121.4
45	N	33.5	Very low	35.4	Very low	108 Å²	108	151 Å²	151	58%	0.578	78%	0.778	S	S	*	*			trans	106.8	102.6	139.1	-57.7	-12.8	0	0	0	119.3
46	D	33.2	Very low	35.4	Very low	129 Å²	129	147 Å²	147	69%	0.69	78%	0.778	S	S	*	*				74.5	124.6	117.2	-49.2	-19.1	0	0	0	121.7
47	D	34.5	Very low	35.5	Very low	147 Å²	147	145.2 Å²	145.2	79%	0.786	78%	0.776	S	S	*	*			trans	42.9	129.2	140.4	-58.3	-19	0	0	0	121.3
48	F	37.4	Very low	35.7	Very low	205 Å²	205	143.3 Å²	143.3	90%	0.899	78%	0.775	S	S	*	*				-158.9	152.4	124.4	-112.9	-71	0	0	0	113.2
49	D	37.6	Very low	35.9	Very low	135 Å²	135	141.1 Å²	141.1	72%	0.722	77%	0.77	S	S	*	*			trans	-74.1	162.8	-159.4	-60.9	-74.5	0	0	0	118.3
50	P	37.7	Very low	35.7	Very low	114 Å²	114	139.4 Å²	139.4	74%	0.74	77%	0.772	S	S	*	*			trans	-89.6	142.5	160.2	35.7	-30.5	0	0	0	112.2
51	E	37.9	Very low	36	Very low	177 Å²	177	141.7 Å²	141.7	83%	0.827	78%	0.777	S	S	*	*			trans	-171.5	140.4	145.4	-107.4	-166.7	166.1	0	0	114.9
52	I	35.6	Very low	36.1	Very low	128 Å²	128	139.1 Å²	139.1	66%	0.656	77%	0.771	S	S	*	*			trans	59.3	113.2	143.8	-57.4	165.5	0	0	0	120.7
53	T	37.3	Very low	36.4	Very low	144 Å²	144	139 Å²	139	88%	0.883	77%	0.771	S	S	*	*				-164	153.6	107.8	13.3	0	0	0	0	111
54	A	37	Very low	36.7	Very low	86 Å²	86	138.9 Å²	138.9	71%	0.711	77%	0.77	S	S	*	*			trans	-114.3	168.1	-167.8	0	0	0	0	0	113.1
55	D	36.5	Very low	36.6	Very low	153 Å²	153	138.5 Å²	138.5	82%	0.818	77%	0.773	S	S	*	*				-174.7	129.7	127.3	-96.8	-20.6	0	0	0	114.4
56	S	36.9	Very low	36.7	Very low	109 Å²	109	140.1 Å²	140.1	76%	0.762	78%	0.782	S	S	*	*			trans	44	147.7	148.4	59.9	0	0	0	0	122.5
57	S	39.3	Very low	36.7	Very low	99 Å²	99	141 Å²	141	69%	0.692	78%	0.782	S	S	*	*			cis	-171.1	121	-6.4	47	0	0	0	0	107.5
58	S	38.3	Very low	36.7	Very low	97 Å²	97	140.6 Å²	140.6	68%	0.678	78%	0.776	S	S	*	*				85.2	117	95.9	87.2	0	0	0	0	116.2
59	D	39.5	Very low	36.7	Very low	150 Å²	150	138.7 Å²	138.7	80%	0.802	77%	0.769	S	S	*	*				169.5	124.1	111.4	-83.6	1	0	0	0	112.2
60	T	30.7	Very low	36.5	Very low	147 Å²	147	136 Å²	136	90%	0.902	77%	0.765	S	S	*	*			trans	-142.7	134.9	170.7	52.3	0	0	0	0	108.9
61	S	39.9	Very low	36.4	Very low	119 Å²	119	136.6 Å²	136.6	83%	0.832	77%	0.767	S	S	*	*			trans	-121.6	115.8	174.4	61.7	0	0	0	0	111.7
62	S	32.9	Very low	36.2	Very low	104 Å²	104	136.1 Å²	136.1	73%	0.727	76%	0.762	S	S	*	*			trans	-86.8	162	165.2	48.9	0	0	0	0	111.1
63	Y	42.6	Very low	36.2	Very low	232 Å²	232	136.6 Å²	136.6	91%	0.91	76%	0.761	S	S	*	*			trans	-137.9	148.3	157.8	-113.3	-81.8	0	0	0	110.4
64	E	37.5	Very low	36.1	Very low	170 Å²	170	135.4 Å²	135.4	79%	0.794	75%	0.75	S	S	*	*			trans	-102.2	162	-159	-58	172	135.8	0	0	113.5
65	D	33.1	Very low	36	Very low	155 Å²	155	138.6 Å²	138.6	83%	0.829	75%	0.75	S	S	*	*			trans	-66.1	151.3	165.3	-71.3	-55.4	0	0	0	112.1
66	N	35	Very low	36	Very low	142 Å²	142	138.5 Å²	138.5	76%	0.759	75%	0.749	S	S	*	*			trans	-164.7	115.1	146.6	-98.2	-45.6	0	0	0	113.7
67	E	33.6	Very low	36	Very low	147 Å²	147	141.5 Å²	141.5	69%	0.687	75%	0.751	S	S	*	*			trans	54.6	121.1	130.6	-63.7	-149.3	118	0	0	124.5
68	Q	34.2	Very low	35.9	Very low	140 Å²	140	143 Å²	143	65%	0.654	75%	0.75	S	S	*	*				94.2	134.4	124.3	-74.4	176	31.3	0	0	123.9
69	H	36.9	Very low	35.6	Very low	165 Å²	165	147.3 Å²	147.3	76%	0.764	76%	0.759	S	S	*	*			trans	78.8	97.5	147.8	-80.5	-63.3	0	0	0	123.7
70	A	34.9	Very low	35.4	Very low	77 Å²	77	144 Å²	144	64%	0.636	76%	0.761	S	S	*	*				96.1	111.8	106.2	0	0	0	0	0	123.5
71	V	34	Very low	35.4	Very low	128 Å²	128	140.4 Å²	140.4	78%	0.776	75%	0.753	S	S	*	*				81.8	105.8	118.5	175.1	0	0	0	0	120.8
72	K	34.3	Very low	35.1	Very low	167 Å²	167	143.3 Å²	143.3	73%	0.726	75%	0.754	S	S	*	*			trans	94.2	136.2	131.6	-89	179.3	163.9	-139.4	0	124.7
73	E	35.8	Very low	35	Very low	138 Å²	138	146 Å²	146	65%	0.645	76%	0.755	S	S	*	*			trans	93.3	97.9	135.6	-79	165.5	-164.5	0	0	121.9
74	N	34.9	Very low	34.5	Very low	119 Å²	119	143 Å²	143	64%	0.636	75%	0.749	S	S	*	*				83.6	120.3	120.1	-69	30.3	0	0	0	123.1
75	E	35	Very low	34.2	Very low	152 Å²	152	140 Å²	140	71%	0.71	74%	0.742	S	S	*	*				52.9	115.7	120.6	-58	166.8	160.9	0	0	119.6
76	D	37.3	Very low	34.1	Very low	152 Å²	152	140.2 Å²	140.2	81%	0.813	74%	0.738	S	S	*	*				177.5	111	103.7	-89.1	-23	0	0	0	113.5
77	E	35.2	Very low	34	Very low	172 Å²	172	140.7 Å²	140.7	80%	0.804	74%	0.739	S	S	*	*				45.3	146.6	122.1	-117.5	176.4	-134.8	0	0	125.8
78	I	38.3	Very low	34	Very low	130 Å²	130	137.3 Å²	137.3	67%	0.667	74%	0.744	S	S	*	*			trans	108.7	100.4	149.7	-62.4	152.8	0	0	0	120.2
79	E	32.5	Very low	33.9	Very low	187 Å²	187	136 Å²	136	87%	0.874	75%	0.75	S	S	*	*			trans	43.8	138.2	131	-52.2	-177.3	139.6	0	0	124.3
80	G	33.8	Very low	33.7	Very low	81 Å²	81	137.3 Å²	137.3	84%	0.835	75%	0.753	S	S	*	*				138.6	115.5	118	0	0	0	0	0	119.6
81	G	32.5	Very low	33.5	Very low	72 Å²	72	139.6 Å²	139.6	74%	0.742	76%	0.759	S	S	*	*			trans	91.7	81.5	130.7	0	0	0	0	0	121.1
82	E	32.4	Very low	33.5	Very low	180 Å²	180	142.6 Å²	142.6	84%	0.841	76%	0.764	S	S	*	*				47.9	143.7	113.8	-74.3	166.2	-178.7	0	0	125
83	E	32.2	Very low	33.3	Very low	160 Å²	160	139.7 Å²	139.7	75%	0.748	77%	0.765	S	S	*	*			trans	83.8	99.5	142.6	-77.2	178.9	-174.9	0	0	123.7
84	E	31.1	Very low	33.1	Very low	168 Å²	168	138.7 Å²	138.7	79%	0.785	77%	0.773	S	S	*	*				88.6	134	110.8	-85.4	-161.8	177.5	0	0	125.9
85	V	32	Very low	32.8	Very low	108 Å²	108	142.1 Å²	142.1	66%	0.655	79%	0.788	S	S	*	*			trans	92.2	101.8	134.4	165.4	0	0	0	0	121.9
86	E	31.3	Very low	32.5	Very low	160 Å²	160	143 Å²	143	75%	0.748	80%	0.796	S	S	*	*				94.3	131.7	127.8	-83.4	-164.8	149.4	0	0	126.6
87	I	31.4	Very low	32.2	Very low	152 Å²	152	138.7 Å²	138.7	78%	0.779	79%	0.788	S	S	*	*			trans	70	116.6	145.2	-60.4	159.5	0	0	0	119.5
88	G	34.3	Very low	31.9	Very low	76 Å²	76	139.5 Å²	139.5	78%	0.784	79%	0.792	S	S	*	*			trans	169	86.7	162	0	0	0	0	0	116.3
89	S	31.2	Very low	31.6	Very low	112 Å²	112	144 Å²	144	78%	0.783	80%	0.802	S	S	*	*			trans	-59.1	138.6	-178.7	60	0	0	0	0	116.4
90	K	33.9	Very low	31.5	Very low	192 Å²	192	142.7 Å²	142.7	84%	0.835	80%	0.8	S	S	*	*				175.9	121.8	116.5	-99.1	172.5	179.4	177.4	0	115.2
91	V	30	Very low	31.5	Very low	126 Å²	126	145.2 Å²	145.2	76%	0.764	79%	0.794	S	S	*	*			trans	37.9	109	137.5	-170.9	0	0	0	0	118.9
92	H	35	Very low	31.3	Very low	190 Å²	190	145 Å²	145	88%	0.88	79%	0.792	S	S	*	*				-159.3	157.8	123.2	-124.6	-92.6	0	0	0	113.2
93	S	28.7	Very low	31.4	Very low	107 Å²	107	145.9 Å²	145.9	75%	0.748	79%	0.789	S	S	*	*			trans	-90.9	137.9	-171.3	166.8	0	0	0	0	114.3
94	S	32.4	Very low	31.3	Very low	116 Å²	116	145.8 Å²	145.8	81%	0.811	79%	0.788	S	S	*	*				-169.2	139.6	129.3	52.8	0	0	0	0	112.5
95	M	28.4	Very low	31.6	Very low	192 Å²	192	145.4 Å²	145.4	95%	0.946	79%	0.786	S	S	*	*			trans	-79.2	122.2	177.2	-72.9	170.8	157.6	0	0	112.2
96	I	29	Very low	31.4	Very low	169 Å²	169	147.4 Å²	147.4	87%	0.867	79%	0.789	S	S	*	*			trans	-140.8	127.7	143.1	-58.7	-177.2	0	0	0	105.6
97	G	30.6	Very low	31.6	Very low	63 Å²	63	149 Å²	149	65%	0.649	79%	0.789	S	S	*	*			trans	-146.1	102.8	-178.1	0	0	0	0	0	110.9
98	E	28.6	Very low	31.5	Very low	189 Å²	189	149.1 Å²	149.1	88%	0.883	79%	0.791	S	S	*	*			trans	-70.2	130.3	168.6	-67.3	171.3	124.9	0	0	108.9	D100	E98-D100 PolarHBondContact O-N 3.12Å
99	Y	32.7	Very low	31.2	Very low	225 Å²	225	153.1 Å²	153.1	88%	0.882	80%	0.795	S	S	*	*			trans	-87.5	87.9	172.8	-83.9	-83.7	0	0	0	109.8
100	D	29.9	Very low	31.4	Very low	158 Å²	158	153.4 Å²	153.4	85%	0.845	79%	0.792	S	S	*	*			trans	-81.2	112.6	164.3	-161.1	8.1	0	0	0	109	E98 G102	E98-D100 PolarHBondContact O-N 3.12Å; D100-G102 VanDerWaalsContact C-N 3.31Å; D100-G102 PolarHBondContact O-N 3.14Å
101	L	34.2	Very low	31.4	Very low	134 Å²	134	150.8 Å²	150.8	70%	0.702	79%	0.787	S	S	*	*			trans	-85.8	71.5	-174.2	-97.7	163.1	0	0	0	110.9	Y103	L101-Y103 PolarHBondContact O-N 3.27Å; L101-Y103 VanDerWaalsContact O-N 3.12Å
102	G	27.9	Very low	31.7	Very low	68 Å²	68	155.5 Å²	155.5	70%	0.701	79%	0.793	S	S	*	*			trans	-67.5	101	169.9	0	0	0	0	0	111.9	D100 H104	D100-G102 VanDerWaalsContact C-N 3.31Å; D100-G102 PolarHBondContact O-N 3.14Å; G102-H104 PolarHBondContact O-N 2.88Å
103	Y	35.8	Very low	31.5	Very low	199 Å²	199	151.7 Å²	151.7	78%	0.78	78%	0.783	S	S	*	*			trans	-74.5	91.8	170.1	-86.1	-86.5	0	0	0	111	L101 Q105	L101-Y103 PolarHBondContact O-N 3.27Å; L101-Y103 VanDerWaalsContact O-N 3.12Å; Y103-Q105 PolarHBondContact O-N 3.24Å
104	H	28.9	Very low	32	Very low	157 Å²	157	153.3 Å²	153.3	73%	0.727	78%	0.783	S	S	*	*			trans	-85.2	89.7	171	-147.2	-54	0	0	0	109.8	G102 H106	G102-H104 PolarHBondContact O-N 2.88Å; H104-H106 AromaticContact CE1-CD2 3.71Å; H104-H106 AromaticContact CE1-NE2 3.63Å; H104-H106 AromaticContact ND1-CD2 3.57Å; H104-H106 AromaticContact ND1-NE2 3.99Å; H104-H106 PolarHBondContact O-N 3Å
105	Q	36.8	Very low	32	Very low	160 Å²	160	155.5 Å²	155.5	75%	0.748	78%	0.78	S	S	*	*			trans	-81.6	101.8	165.1	-80.7	-171	-6.9	0	0	109.5	Y103 Y107	Y103-Q105 PolarHBondContact O-N 3.24Å; Q105-Y107 PolarHBondContact O-N 3.05Å
106	H	28.3	Very low	32.5	Very low	151 Å²	151	155.9 Å²	155.9	70%	0.699	78%	0.78	S	S	*	*			trans	-74.2	111.3	154.7	-95.7	-85.7	0	0	0	108.4	H104	H104-H106 AromaticContact CE1-CD2 3.71Å; H104-H106 AromaticContact CE1-NE2 3.63Å; H104-H106 AromaticContact ND1-CD2 3.57Å; H104-H106 AromaticContact ND1-NE2 3.99Å; H104-H106 PolarHBondContact O-N 3Å
107	Y	34.9	Very low	32.7	Very low	192 Å²	192	154.1 Å²	154.1	75%	0.753	77%	0.768	S	S	*	*			trans	-137.8	132.2	152.9	-83.9	-74.4	0	0	0	107.8	Q105 N109	Q105-Y107 PolarHBondContact O-N 3.05Å; Y107-N109 PolarHBondContact O-N 2.97Å
108	D	29.8	Very low	33	Very low	155 Å²	155	160.4 Å²	160.4	83%	0.829	78%	0.783	S	S	*	*			trans	-65.7	120.3	-178.5	-64.1	-57	0	0	0	110.3
109	N	29.3	Very low	33.1	Very low	161 Å²	161	155.7 Å²	155.7	86%	0.861	76%	0.763	S	S	*	*			trans	-101.6	112.7	169.4	-83.5	-18.7	0	0	0	108.7	Y107	Y107-N109 PolarHBondContact O-N 2.97Å
110	T	35.2	Very low	33.2	Very low	118 Å²	118	155 Å²	155	72%	0.724	77%	0.765	S	S	*	*			trans	-131.3	111	162.1	52.2	0	0	0	0	108.1
111	D	32.8	Very low	33.2	Very low	136 Å²	136	152.3 Å²	152.3	73%	0.727	75%	0.754	S	S	*	*			trans	44.7	126.9	154.7	-44.5	-30.4	0	0	0	118.2
112	Y	37	Very low	33.3	Very low	226 Å²	226	151.9 Å²	151.9	89%	0.886	76%	0.757	S	S	*	*				-156.9	157.3	55.2	-95.6	-92.4	0	0	0	112.9
113	T	31.1	Very low	33.3	Very low	109 Å²	109	155.7 Å²	155.7	67%	0.669	76%	0.761	S	S	*	*			trans	-98.2	155.7	167.3	50	0	0	0	0	111.5
114	D	37.8	Very low	33.1	Very low	142 Å²	142	150.6 Å²	150.6	76%	0.759	76%	0.761	S	S	*	*				170.9	121	124.4	-78.1	-4.4	0	0	0	106.8
115	E	33.9	Very low	33.2	Very low	161 Å²	161	152.1 Å²	152.1	75%	0.752	77%	0.768	S	S	*	*				80.6	101.5	59.7	-67.6	-138.5	-159.5	0	0	113.9
116	E	38.2	Very low	32.8	Very low	201 Å²	201	152.2 Å²	152.2	94%	0.939	77%	0.774	S	S	*	*			trans	-128.1	124.8	148	-121.4	-168	-173.8	0	0	108
117	E	33.8	Very low	32.9	Very low	131 Å²	131	153 Å²	153	61%	0.612	78%	0.782	S	S	*	*			trans	-78.6	165.8	-167.4	-55.3	178.3	108	0	0	113.9	I119	E117-I119 HydrophobicContact CB-CG1 4.17Å; E117-I119 HydrophobicContact CG-CG1 4.43Å; E117-I119 WeakPolarHBondContact OE1-CD1 3.4Å; E117-I119 WeakPolarHBondContact OE1-CG1 3.23Å; E117-I119 VanDerWaalsContact OE2-CD1 3.29Å; E117-I119 WeakPolarHBondContact OE2-CD1 3.37Å
118	M	35.1	Very low	32.7	Very low	195 Å²	195	153 Å²	153	96%	0.961	79%	0.785	S	S	*	*				-146.9	110.8	123.9	-97.6	-109.4	-82	0	0	110.6
119	I	31.8	Very low	32.9	Very low	90 Å²	90	153.3 Å²	153.3	46%	0.462	79%	0.787	S	S	.	*			trans	-67.6	145.9	-169.4	-60.1	152.4	0	0	0	113	E117 T121	E117-I119 HydrophobicContact CB-CG1 4.17Å; E117-I119 HydrophobicContact CG-CG1 4.43Å; E117-I119 WeakPolarHBondContact OE1-CD1 3.4Å; E117-I119 WeakPolarHBondContact OE1-CG1 3.23Å; E117-I119 VanDerWaalsContact OE2-CD1 3.29Å; E117-I119 WeakPolarHBondContact OE2-CD1 3.37Å; I119-T121 HydrophobicContact CG2-CG2 4.01Å
120	F	34.2	Very low	32.9	Very low	212 Å²	212	153 Å²	153	93%	0.93	79%	0.785	S	S	*	*				-152.8	118.1	121.5	-104.3	-68.3	0	0	0	111.9
121	T	30.8	Very low	32.9	Very low	101 Å²	101	156.5 Å²	156.5	62%	0.62	79%	0.791	S	S	*	*			trans	-75.1	163.8	-179	47.6	0	0	0	0	111	I119	I119-T121 HydrophobicContact CG2-CG2 4.01Å
122	T	35.2	Very low	32.8	Very low	125 Å²	125	158.5 Å²	158.5	77%	0.767	80%	0.795	S	S	*	*				-164.3	125.9	64.1	44.2	0	0	0	0	115.5
123	N	29.3	Very low	32.5	Very low	147 Å²	147	156.2 Å²	156.2	79%	0.786	79%	0.793	S	S	*	*			trans	13.7	127.2	142.1	-62.7	-9.9	0	0	0	122.5
124	A	31.4	Very low	32.5	Very low	92 Å²	92	158.8 Å²	158.8	76%	0.76	80%	0.801	S	S	*	*				69.6	152	120.5	0	0	0	0	0	119.7
125	Q	30.7	Very low	32.3	Very low	189 Å²	189	159.6 Å²	159.6	88%	0.883	81%	0.805	S	S	*	*			cis	-154.2	156.8	20.7	-149.7	162.4	7.4	0	0	111.4
126	N	27.4	Very low	32.3	Very low	163 Å²	163	156.1 Å²	156.1	87%	0.872	80%	0.796	S	S	*	*			trans	-62.4	130	178	-92	-45.3	0	0	0	113.8
127	I	32	Very low	32.2	Very low	168 Å²	168	156.3 Å²	156.3	86%	0.862	80%	0.795	S	S	*	*			trans	-142.2	136.4	144	-61.4	-172.3	0	0	0	108.2
128	K	30.3	Very low	31.9	Very low	192 Å²	192	154 Å²	154	84%	0.835	80%	0.798	S	S	*	*			trans	-71.2	145.7	174.8	-65.8	173.6	175.2	177.2	0	110.9
129	D	33.8	Very low	31.8	Very low	161 Å²	161	151.8 Å²	151.8	86%	0.861	79%	0.79	S	S	*	*				-168.5	148.8	128.6	-101.9	-23.1	0	0	0	112.9
130	N	28.7	Very low	32.1	Very low	154 Å²	154	155.1 Å²	155.1	82%	0.824	81%	0.809	S	S	*	*			trans	-81	139	-178.9	-66.4	-38.6	0	0	0	111.8
131	K	35.8	Very low	32.3	Very low	192 Å²	192	152.8 Å²	152.8	84%	0.835	81%	0.806	S	S	*	*			trans	-175	124.1	133.1	-103.5	152	-172.5	169.7	0	114.6
132	E	29.7	Very low	32.3	Very low	177 Å²	177	158.4 Å²	158.4	83%	0.827	82%	0.822	S	S	*	*			trans	41.4	133.1	138.5	-65.7	172.9	148.1	0	0	122.6
133	E	31.2	Very low	32.2	Very low	179 Å²	179	155.7 Å²	155.7	84%	0.836	82%	0.819	S	S	*	*			trans	-17	152	162.7	-52.9	-175.3	133.4	0	0	120.5
134	I	32.1	Very low	32.5	Very low	162 Å²	162	155.7 Å²	155.7	83%	0.831	82%	0.819	S	S	*	*				-158.8	125.6	119.3	-92.3	141	0	0	0	109.3
135	N	32.6	Very low	32.4	Very low	160 Å²	160	158.5 Å²	158.5	86%	0.856	82%	0.82	S	S	*	*			trans	-82.1	134.1	166.1	-103.2	-30.9	0	0	0	110.1
136	P	34.8	Very low	32.5	Very low	87 Å²	87	154.9 Å²	154.9	57%	0.565	82%	0.815	S	S	*	*			trans	-98	154.5	157.8	34.6	-28.7	0	0	0	111.7
137	F	34.7	Very low	32.5	Very low	206 Å²	206	154.3 Å²	154.3	90%	0.904	81%	0.811	S	S	*	*			trans	81	58.1	175.4	-44.7	-64.3	0	0	0	117.1
138	A	29.2	Very low	32.6	Very low	83 Å²	83	153.8 Å²	153.8	69%	0.686	81%	0.808	S	S	*	*			trans	-103.1	156.9	141.1	0	0	0	0	0	109.6
139	N	32.8	Very low	32.4	Very low	147 Å²	147	150.6 Å²	150.6	79%	0.786	81%	0.805	S	S	*	*			trans	76.8	110.1	175.2	-49.5	-8.4	0	0	0	116.4
140	D	37.6	Very low	32.3	Very low	160 Å²	160	149.3 Å²	149.3	86%	0.856	80%	0.803	S	S	*	*				-161.4	159.7	102	-91.3	-13.8	0	0	0	110.5
141	D	38.7	Very low	32.3	Very low	164 Å²	164	147.8 Å²	147.8	88%	0.877	80%	0.799	S	S	*	*			trans	-78.5	161.3	-152.6	-79.4	-51.4	0	0	0	118.5
142	F	29.7	Very low	32.1	Very low	219 Å²	219	145.3 Å²	145.3	96%	0.961	80%	0.801	S	S	*	*			trans	-77.9	145.2	169.5	-95.5	-101.9	0	0	0	112.9
143	G	34.7	Very low	32.1	Very low	68 Å²	68	143.1 Å²	143.1	70%	0.701	80%	0.799	S	S	*	*			trans	-164	109.1	169.2	0	0	0	0	0	114.4
144	D	35.3	Very low	32.2	Very low	147 Å²	147	142.4 Å²	142.4	79%	0.786	80%	0.799	S	S	*	*			trans	53.8	100.4	153.4	-59.7	-17.7	0	0	0	122.8
145	I	29.7	Very low	32	Very low	150 Å²	150	142.4 Å²	142.4	77%	0.769	80%	0.796	S	S	*	*				35.9	110.2	109.2	-54.4	169.5	0	0	0	117.1
146	S	31.7	Very low	32.1	Very low	114 Å²	114	142.7 Å²	142.7	80%	0.797	80%	0.797	S	S	*	*				178	142.7	105.4	40.5	0	0	0	0	115.5
147	I	28.4	Very low	31.8	Very low	151 Å²	151	146.9 Å²	146.9	77%	0.774	81%	0.807	S	S	*	*			trans	-50	140.8	171.2	-47.2	169.5	0	0	0	112.6
148	I	33.3	Very low	31.9	Very low	157 Å²	157	145.5 Å²	145.5	81%	0.805	81%	0.809	S	S	*	*				177.4	129.2	122.3	-87.6	155.9	0	0	0	112.2
149	T	26.3	Very low	31.9	Very low	124 Å²	124	150.7 Å²	150.7	76%	0.761	82%	0.816	S	S	*	*			trans	-68.5	135.5	172.4	-48	0	0	0	0	112.1
150	T	32.2	Very low	31.7	Very low	134 Å²	134	148.8 Å²	148.8	82%	0.822	81%	0.814	S	S	*	*			trans	-168.5	142.3	132.7	11.1	0	0	0	0	114.1
151	T	27.5	Very low	31.5	Very low	123 Å²	123	148.4 Å²	148.4	76%	0.755	81%	0.81	S	S	*	*			trans	-71.5	141.3	170.2	47.8	0	0	0	0	112.3
152	T	32.9	Very low	31	Very low	140 Å²	140	148.8 Å²	148.8	86%	0.859	81%	0.807	S	S	*	*				-162.6	138.4	125.8	21.5	0	0	0	0	112.3
153	T	28.2	Very low	31.1	Very low	130 Å²	130	149.6 Å²	149.6	80%	0.798	80%	0.804	S	S	*	*			trans	-64.1	146.5	165.1	47.5	0	0	0	0	112.2
154	I	34.3	Very low	30.8	Very low	164 Å²	164	155.6 Å²	155.6	84%	0.841	81%	0.81	S	S	*	*			trans	-153.5	129	139.2	-97.3	141.2	0	0	0	108.4
155	E	28.2	Very low	30.7	Very low	163 Å²	163	155 Å²	155	76%	0.762	81%	0.813	S	S	*	*			trans	-72.6	145.4	169.7	-54	-178.6	127.2	0	0	110
156	N	33.6	Very low	30.8	Very low	165 Å²	165	152.7 Å²	152.7	88%	0.882	81%	0.809	S	S	*	*			trans	-153.6	130.5	138.3	-111.5	-39.9	0	0	0	113.3
157	K	29.6	Very low	31	Very low	176 Å²	176	154.7 Å²	154.7	77%	0.765	81%	0.809	S	S	*	*			trans	-76.4	143	173.3	-66.4	156.2	179.9	152.6	0	108.8
158	N	35.3	Very low	31.1	Very low	176 Å²	176	154.8 Å²	154.8	94%	0.941	81%	0.811	S	S	*	*			trans	-152.6	149.6	137.6	-100.8	-35.4	0	0	0	112.3
159	K	29.4	Very low	31.1	Very low	193 Å²	193	155.3 Å²	155.3	84%	0.839	81%	0.811	S	S	*	*			trans	-94.8	164.1	-168.8	-79.3	178.8	170.4	-179.9	0	112.8
160	S	29.9	Very low	31.5	Very low	107 Å²	107	157.5 Å²	157.5	75%	0.748	82%	0.817	S	S	*	*			trans	66.5	132.2	152.3	61	0	0	0	0	116.1
161	I	32.8	Very low	31.4	Very low	151 Å²	151	161 Å²	161	77%	0.774	82%	0.821	S	S	*	*				-152.3	143	59.2	-81.8	158.7	0	0	0	110.3
162	E	27.2	Very low	31.7	Very low	172 Å²	172	161.3 Å²	161.3	80%	0.804	82%	0.822	S	S	*	*			trans	-72.8	137.6	170.5	-63.4	-179.7	120.4	0	0	111.9
163	R	32	Very low	31.9	Very low	237 Å²	237	163.2 Å²	163.2	89%	0.894	83%	0.825	S	S	*	*			trans	-137.1	112.7	147.1	-77.4	-168.2	174.1	158.2	-0.2	109.5
164	K	29.7	Very low	32.1	Very low	193 Å²	193	161.4 Å²	161.4	84%	0.839	82%	0.824	S	S	*	*			trans	-78.2	128.8	166.2	-68.9	177.5	178.3	176.4	0	109
165	T	32	Very low	32.1	Very low	136 Å²	136	164.9 Å²	164.9	83%	0.834	83%	0.826	S	S	*	*			trans	-137.3	112.6	152.9	41.5	0	0	0	0	106.7
166	S	31.5	Very low	32.3	Very low	100 Å²	100	163.1 Å²	163.1	70%	0.699	83%	0.829	S	S	*	*			trans	-71.4	140.5	170.4	48.2	0	0	0	0	109.7
167	I	35.9	Very low	32.2	Very low	156 Å²	156	166.8 Å²	166.8	80%	0.8	83%	0.83	S	S	*	*			trans	-145	109.7	150.8	-109.4	154.7	0	0	0	107	E169	I167-E169 HydrophobicContact CG2-CB 4.48Å; I167-E169 PolarHBondContact O-N 3Å
168	D	30.1	Very low	32.4	Very low	153 Å²	153	164.9 Å²	164.9	82%	0.818	83%	0.833	S	S	*	*			trans	-79.5	91.3	174	-69	-67	0	0	0	108.4
169	E	34.4	Very low	32.2	Very low	168 Å²	168	165.4 Å²	165.4	79%	0.785	83%	0.827	S	S	*	*			trans	-159.5	21.6	173.3	-119.7	162.2	-140.1	0	0	115.4	I167	I167-E169 HydrophobicContact CG2-CB 4.48Å; I167-E169 PolarHBondContact O-N 3Å
170	L	35.2	Very low	32.2	Very low	171 Å²	171	162.1 Å²	162.1	90%	0.895	83%	0.826	S	S	*	*			trans	-138.8	59	176.3	-73.1	176.3	0	0	0	112.9
171	K	30.2	Very low	32.2	Very low	208 Å²	208	163.9 Å²	163.9	90%	0.904	83%	0.831	S	S	*	*			trans	-140.6	43.5	171.3	-77.6	-168.8	-178.2	168.5	0	114.1
172	T	33.4	Very low	32	Very low	128 Å²	128	166.3 Å²	166.3	79%	0.785	83%	0.831	S	S	*	*	S	Bend	trans	-119.2	146.7	156.8	32.4	0	0	0	0	107.3
173	I	36.8	Very low	32.2	Very low	180 Å²	180	162.5 Å²	162.5	92%	0.923	81%	0.813	S	S	*	*	S	Bend	trans	74.1	64.9	-164.6	-40.8	164.5	0	0	0	113.5
174	A	33	Very low	32.1	Very low	92 Å²	92	156.5 Å²	156.5	76%	0.76	80%	0.795	S	S	*	*			trans	-144.2	115.6	157.8	0	0	0	0	0	110.2
175	R	34.5	Very low	31.9	Very low	238 Å²	238	148.9 Å²	148.9	90%	0.898	77%	0.765	S	S	*	*			trans	-59.2	144.9	176.4	-65.8	179.9	179	-173.4	-1.5	110.4	R177	R175-R177 PolarHBondContact O-N 3.26Å
176	P	30.9	Very low	32	Very low	125 Å²	125	147.7 Å²	147.7	81%	0.812	75%	0.753	S	S	*	*			trans	-66.6	110.3	-176.8	27.1	-34	0	0	0	110.7	V178	P176-V178 PolarHBondContact O-N 3.12Å
177	R	31.7	Very low	32.1	Very low	242 Å²	242	143.9 Å²	143.9	91%	0.913	73%	0.726	S	S	*	*			trans	-73.9	108.2	164.5	-85.6	-175.5	169.2	131.2	-3.9	108.5	R175 K179	R175-R177 PolarHBondContact O-N 3.26Å; R177-K179 PolarHBondContact O-N 3Å
178	V	34.3	Very low	31.8	Very low	137 Å²	137	138.2 Å²	138.2	83%	0.83	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-54.3	124.3	166.4	-179.5	0	0	0	0	108.4	P176	P176-V178 PolarHBondContact O-N 3.12Å
179	K	30.8	Very low	32	Very low	187 Å²	187	137.1 Å²	137.1	81%	0.813	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-70.6	131.7	176.4	-69.3	174.7	-178.9	169.6	0	108.5	R177 V181	R177-K179 PolarHBondContact O-N 3Å; K179-V181 PolarHBondContact O-N 3.27Å
180	P	29.2	Very low	32.1	Very low	124 Å²	124	131 Å²	131	81%	0.805	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-65	126.8	176.2	26.8	-33.2	0	0	0	110	R182	P180-R182 PolarHBondContact O-N 2.94Å
181	V	31	Very low	32.2	Very low	144 Å²	144	126.4 Å²	126.4	87%	0.873	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-68.2	117.3	176.8	177.9	0	0	0	0	108.7	K179 Q183	K179-V181 PolarHBondContact O-N 3.27Å; V181-Q183 PolarHBondContact O-N 3.38Å
182	R	27.2	Very low	32.4	Very low	201 Å²	201	120.9 Å²	120.9	76%	0.758	63%	0.63	S	S	*	*			trans	-79.7	110	-178	-173.1	174.6	178	148.1	-3.2	109.3	P180 E184 E581	P180-R182 PolarHBondContact O-N 2.94Å; R182-E184 PolarHBondContact O-N 3.29Å; R182-E581 IonicContact NH2-OE2 3.32Å; R182-E581 PolarHBondContact NH2-OE2 2.87Å
183	Q	32.3	Very low	32.5	Very low	92 Å²	92	121.8 Å²	121.8	43%	0.43	62%	0.618	S	S	.	*			trans	-64.8	118.8	178.2	-168.5	-178.2	4.1	0	0	110.4	V181	V181-Q183 PolarHBondContact O-N 3.38Å
184	E	29.2	Very low	32.2	Very low	111 Å²	111	122.8 Å²	122.8	52%	0.519	62%	0.616	S	S	.	*			trans	-79.4	131.8	-176.2	-68.9	-157.6	173.4	0	0	113.3	R182 L186 S187 G188	R182-E184 PolarHBondContact O-N 3.29Å; E184-L186 PolarHBondContact O-N 2.82Å; E184-S187 PolarHBondContact OE2-OG 3.46Å; E184-G188 WeakPolarHBondContact OE2-CA 3.48Å; E184-G188 PolarHBondContact OE2-N 3.2Å
185	T	26.5	Very low	32.2	Very low	33 Å²	33	127.6 Å²	127.6	20%	0.202	62%	0.615	C	S	.	*	S	Bend	trans	-70	111.2	176	46.7	0	0	0	0	112	S187 F285 R579 E581	T185-S187 PolarHBondContact O-N 2.96Å; T185-F285 HydrophobicContact CG2-CB 4.15Å; T185-F285 HydrophobicContact CG2-CD1 3.97Å; T185-F285 HydrophobicContact CG2-CG 4.43Å; T185-R579 PolarHBondContact O-NH2 3.17Å; T185-R579 PolarHBondContact OG1-NE 2.98Å; T185-R579 PolarHBondContact OG1-NH2 2.87Å; T185-E581 VanDerWaalsContact CG2-OE1 3.31Å; T185-E581 WeakPolarHBondContact CG2-OE1 3.46Å; T185-E581 PolarHBondContact OG1-OE1 3.33Å
186	L	34.6	Very low	32	Very low	112 Å²	112	121.4 Å²	121.4	59%	0.586	61%	0.608	S	S	*	*	S	Bend	trans	50.8	-8.7	176.3	-99.2	177.6	0	0	0	119.2	E184 F285 P287	E184-L186 PolarHBondContact O-N 2.82Å; L186-F285 HydrophobicContact CB-CE1 4.06Å; L186-F285 HydrophobicContact CD1-CE1 3.69Å; L186-F285 HydrophobicContact CD1-CZ 3.6Å; L186-F285 HydrophobicContact CG-CE1 3.77Å; L186-F285 HydrophobicContact CG-CZ 4.22Å; L186-P287 HydrophobicContact CD2-CB 3.92Å; L186-P287 HydrophobicContact CD2-CG 4.45Å; L186-P287 HydrophobicContact CG-CB 3.9Å; L186-P287 HydrophobicContact CG-CG 4.06Å
187	S	32.3	Very low	32	Very low	20 Å²	20	120.7 Å²	120.7	14%	0.14	60%	0.597	C	S	.	*	S	Bend	trans	-113.1	-10.9	-175.5	73.2	0	0	0	0	116.1	E184 T185 R579	E184-S187 PolarHBondContact OE2-OG 3.46Å; T185-S187 PolarHBondContact O-N 2.96Å; S187-R579 PolarHBondContact OG-NH1 3.03Å; S187-R579 VanDerWaalsContact OG-NH1 3.12Å; S187-R579 PolarHBondContact OG-NH2 2.84Å
188	G	30.2	Very low	32.1	Very low	36 Å²	36	116.2 Å²	116.2	37%	0.371	59%	0.59	S	S	.	*	S	Bend	trans	-103.2	-13.4	-174	0	0	0	0	0	115.8	E184 N190	E184-G188 WeakPolarHBondContact OE2-CA 3.48Å; E184-G188 PolarHBondContact OE2-N 3.2Å; G188-N190 PolarHBondContact O-N 3.47Å
189	N	34.9	Very low	31.9	Very low	130 Å²	130	117 Å²	117	70%	0.695	59%	0.589	S	S	*	*	S	Bend	trans	-82.9	12.5	167.5	-77.5	21.3	0	0	0	112.1	P191	N189-P191 WeakPolarHBondContact O-CD 3.13Å
190	N	35.6	Very low	31.9	Very low	40 Å²	40	116.9 Å²	116.9	21%	0.214	59%	0.592	C	S	.	*			trans	-101	104.5	178.4	-175	-4.8	0	0	0	110.2	G188 F192 R193	G188-N190 PolarHBondContact O-N 3.47Å; N190-F192 PolarHBondContact O-N 2.94Å; N190-F192 VanDerWaalsContact O-N 3.17Å; N190-F192 VanDerWaalsContact OD1-CB 3.24Å; N190-F192 WeakPolarHBondContact OD1-CB 3.06Å; N190-F192 WeakPolarHBondContact OD1-CD2 3.49Å; N190-F192 PolarHBondContact OD1-N 3.42Å; N190-R193 PolarHBondContact O-N 2.84Å
191	P	37.6	Very low	32.1	Very low	75 Å²	75	116.7 Å²	116.7	49%	0.487	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.3	-11.8	178	30.1	-35.9	0	0	0	113.5	N189 R193 P712	N189-P191 WeakPolarHBondContact O-CD 3.13Å; P191-R193 VanDerWaalsContact C-N 3.31Å; P191-R193 PolarHBondContact O-N 3.28Å; P191-P712 HydrophobicContact CB-CB 4.24Å; P191-P712 HydrophobicContact CB-CG 4.03Å; P191-P712 HydrophobicContact CG-CB 4.09Å; P191-P712 HydrophobicContact CG-CG 3.93Å
192	F	35.1	Very low	32.1	Very low	92 Å²	92	117.6 Å²	117.6	40%	0.404	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.8	-3.4	177.8	-59.5	-78	0	0	0	114.3	N190 K194 L711 P712	N190-F192 PolarHBondContact O-N 2.94Å; N190-F192 VanDerWaalsContact O-N 3.17Å; N190-F192 VanDerWaalsContact OD1-CB 3.24Å; N190-F192 WeakPolarHBondContact OD1-CB 3.06Å; N190-F192 WeakPolarHBondContact OD1-CD2 3.49Å; N190-F192 PolarHBondContact OD1-N 3.42Å; F192-K194 PolarHBondContact O-N 3.41Å; F192-L711 HydrophobicContact CE1-CD2 4.06Å; F192-L711 HydrophobicContact CE2-CD2 4.25Å; F192-L711 HydrophobicContact CZ-CB 3.85Å; F192-L711 HydrophobicContact CZ-CD2 3.4Å; F192-L711 VanDerWaalsContact CZ-CD2 3.4Å; F192-L711 HydrophobicContact CZ-CG 4.15Å; F192-P712 HydrophobicContact CE1-CG 4.1Å; F192-P712 HydrophobicContact CZ-CG 4.15Å
193	R	33.8	Very low	32.5	Very low	146 Å²	146	116.3 Å²	116.3	55%	0.551	60%	0.595	S	S	*	*			trans	-96.8	62.3	-176.6	-124.2	-177.1	-167.9	-176.6	8.4	114.1	N190 P191 R195	N190-R193 PolarHBondContact O-N 2.84Å; P191-R193 VanDerWaalsContact C-N 3.31Å; P191-R193 PolarHBondContact O-N 3.28Å; R193-R195 PolarHBondContact O-N 3.13Å
194	K	31.9	Very low	32.5	Very low	202 Å²	202	118.6 Å²	118.6	88%	0.878	61%	0.609	S	S	*	*			trans	-67.9	119.7	152.1	-77.2	-168.8	177.2	-177.4	0	107.6	F192 S196	F192-K194 PolarHBondContact O-N 3.41Å; K194-S196 PolarHBondContact O-N 2.74Å
195	R	33	Very low	32.5	Very low	192 Å²	192	119.8 Å²	119.8	73%	0.725	62%	0.619	S	S	*	*			trans	-70.2	128.2	167.5	-67.5	-173.8	-173.2	174.2	4	108.8	R193 D197	R193-R195 PolarHBondContact O-N 3.13Å; R195-D197 HydrophobicContact CB-CB 4.4Å; R195-D197 WeakPolarHBondContact CD-OD1 3.46Å; R195-D197 WeakPolarHBondContact CD-OD2 3.49Å; R195-D197 IonicContact CZ-OD2 2.76Å; R195-D197 IonicContact NE-OD2 3.7Å; R195-D197 IonicContact NH1-OD2 3.21Å; R195-D197 PolarHBondContact NH1-OD2 3.33Å; R195-D197 VanDerWaalsContact NH1-OD2 3.07Å; R195-D197 PolarHBondContact O-N 3.32Å
196	S	30.1	Very low	32.9	Very low	108 Å²	108	125.6 Å²	125.6	76%	0.755	65%	0.648	S	S	*	*			trans	-78.3	66	157.4	58.1	0	0	0	0	109	K194 I198	K194-S196 PolarHBondContact O-N 2.74Å; S196-I198 PolarHBondContact O-N 3.27Å
197	D	30.2	Very low	32.9	Very low	111 Å²	111	127.5 Å²	127.5	59%	0.594	66%	0.658	S	S	*	*			trans	-77.2	83.5	167.1	-72.5	-14	0	0	0	106.2	R195	R195-D197 HydrophobicContact CB-CB 4.4Å; R195-D197 WeakPolarHBondContact CD-OD1 3.46Å; R195-D197 WeakPolarHBondContact CD-OD2 3.49Å; R195-D197 IonicContact CZ-OD2 2.76Å; R195-D197 IonicContact NE-OD2 3.7Å; R195-D197 IonicContact NH1-OD2 3.21Å; R195-D197 PolarHBondContact NH1-OD2 3.33Å; R195-D197 VanDerWaalsContact NH1-OD2 3.07Å; R195-D197 PolarHBondContact O-N 3.32Å
198	I	34.1	Very low	33.1	Very low	147 Å²	147	131.3 Å²	131.3	75%	0.754	68%	0.683	S	S	*	*			trans	-91.5	108.2	166	-66.7	176.5	0	0	0	106.5	S196 E200	S196-I198 PolarHBondContact O-N 3.27Å; I198-E200 PolarHBondContact O-N 3.45Å
199	D	30.1	Very low	33.4	Very low	153 Å²	153	137.8 Å²	137.8	82%	0.818	70%	0.703	S	S	*	*			trans	-70.9	115.3	171.2	-70.3	-47.9	0	0	0	109.7
200	E	30.2	Very low	33.4	Very low	185 Å²	185	137.7 Å²	137.7	86%	0.864	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-81.4	125.1	161.1	-83.2	-167.1	143.1	0	0	109.5	I198	I198-E200 PolarHBondContact O-N 3.45Å
201	P	35.1	Very low	33.3	Very low	121 Å²	121	141.1 Å²	141.1	79%	0.786	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-83	139	173.4	32.3	-32.4	0	0	0	111.7	M203	P201-M203 PolarHBondContact O-N 3.5Å
202	D	29.9	Very low	33.1	Very low	162 Å²	162	143.8 Å²	143.8	87%	0.866	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-53.7	122.2	171.3	-74.9	-57	0	0	0	112.2
203	M	35.4	Very low	33	Very low	175 Å²	175	145.7 Å²	145.7	86%	0.862	75%	0.753	S	S	*	*			trans	-142.2	113.7	155	-93.3	-55.5	-59.5	0	0	111.8	P201	P201-M203 PolarHBondContact O-N 3.5Å
204	L	31.9	Very low	33.2	Very low	139 Å²	139	143.3 Å²	143.3	73%	0.728	77%	0.765	S	S	*	*			trans	-80.2	156.8	174.8	-71.7	159.5	0	0	0	111.8
205	N	30.4	Very low	33.1	Very low	136 Å²	136	141.4 Å²	141.4	73%	0.727	76%	0.764	S	S	*	*			trans	70.2	104.9	150	-67	-12.3	0	0	0	119.2
206	I	35	Very low	33.3	Very low	155 Å²	155	139.8 Å²	139.8	80%	0.795	77%	0.768	S	S	*	*				167.3	119.1	102.5	-86.4	144.8	0	0	0	112.8
207	D	34	Very low	33.7	Very low	152 Å²	152	139.1 Å²	139.1	81%	0.813	76%	0.764	S	S	*	*			trans	46.7	147.8	152.3	-67.6	-24.9	0	0	0	125.4
208	P	37.1	Very low	34	Very low	101 Å²	101	140 Å²	140	66%	0.656	77%	0.774	S	S	*	*			trans	-106.1	164.1	-168.7	41.2	-33.3	0	0	0	113.8
209	H	35.8	Very low	34.3	Very low	171 Å²	171	137.5 Å²	137.5	79%	0.792	76%	0.762	S	S	*	*			trans	-167.8	129.3	142.8	-98.9	-53.9	0	0	0	114.4
210	I	35.1	Very low	34.9	Very low	129 Å²	129	136.7 Å²	136.7	66%	0.662	75%	0.753	S	S	*	*			trans	82.2	105.1	133.3	-70.6	167.3	0	0	0	120
211	T	34	Very low	35.4	Very low	111 Å²	111	134.7 Å²	134.7	68%	0.681	75%	0.747	S	S	*	*			trans	59.9	149.8	138	63.8	0	0	0	0	119.6
212	D	32.4	Very low	35.7	Very low	131 Å²	131	133.4 Å²	133.4	70%	0.701	74%	0.737	S	S	*	*			cis	-166.2	139	6	-112.3	-6.2	0	0	0	104.9
213	T	33.2	Very low	36.3	Very low	132 Å²	132	133 Å²	133	81%	0.81	72%	0.724	S	S	*	*				162.3	171.8	74.4	21.4	0	0	0	0	109.7
214	A	39.2	Very low	36.6	Very low	96 Å²	96	131.1 Å²	131.1	79%	0.793	72%	0.716	S	S	*	*			trans	94.6	95.9	164.3	0	0	0	0	0	117.6
215	D	30	Very low	36.9	Very low	162 Å²	162	128.5 Å²	128.5	87%	0.866	71%	0.714	S	S	*	*			trans	-72.6	136.9	177.1	-52.3	-85.9	0	0	0	114.3
216	I	36.6	Very low	37.2	Very low	159 Å²	159	126.2 Å²	126.2	82%	0.815	71%	0.709	S	S	*	*			trans	-133.8	138.7	151	-61	-176.4	0	0	0	108.3
217	S	37.3	Very low	37.1	Very low	94 Å²	94	121.6 Å²	121.6	66%	0.657	70%	0.699	S	S	*	*			trans	-71.8	139.4	-161.1	49.4	0	0	0	0	115.4	D219	S217-D219 PolarHBondContact O-N 3.03Å
218	T	36.9	Very low	37.1	Very low	130 Å²	130	121.5 Å²	121.5	80%	0.798	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	35.4	179.9	43.5	0	0	0	0	114.8
219	D	40.7	Very low	36.7	Very low	94 Å²	94	125.8 Å²	125.8	50%	0.503	71%	0.706	S	S	.	*	T	Hydrogen-bonded Turn	trans	-123.4	6	-168.9	-147.6	38.1	0	0	0	114.7	S217 R223	S217-D219 PolarHBondContact O-N 3.03Å; D219-R223 PolarHBondContact O-NE 3.29Å; D219-R223 PolarHBondContact O-NH2 3.47Å; D219-R223 IonicContact OD2-NH2 2.84Å; D219-R223 PolarHBondContact OD2-NH2 3.05Å
220	E	43	Very low	36.5	Very low	135 Å²	135	124.4 Å²	124.4	63%	0.631	70%	0.704	S	S	*	*	S	Bend	trans	-103.9	-39.3	170.5	-92.3	-176.9	145.6	0	0	113.5	T222 R223 I224	E220-T222 PolarHBondContact O-N 3.04Å; E220-R223 WeakPolarHBondContact O-CA 3.47Å; E220-R223 VanDerWaalsContact O-CB 3.29Å; E220-R223 WeakPolarHBondContact O-CB 3.48Å; E220-R223 PolarHBondContact O-N 3.15Å; E220-I224 PolarHBondContact O-N 3.22Å
221	L	40.4	Very low	36.1	Very low	143 Å²	143	126.4 Å²	126.4	75%	0.749	71%	0.714	S	S	*	*	H	α-helix	trans	-60.2	-32.3	176.5	-79.7	159.9	0	0	0	112.7	R223 A225	L221-R223 VanDerWaalsContact C-N 3.34Å; L221-A225 WeakPolarHBondContact O-CB 3.27Å; L221-A225 PolarHBondContact O-N 3.4Å
222	T	42	Very low	35.9	Very low	95 Å²	95	123.9 Å²	123.9	58%	0.583	70%	0.7	S	S	*	*	H	α-helix	trans	-76.7	-21.7	174.1	-42.4	0	0	0	0	112.5	E220 S226	E220-T222 PolarHBondContact O-N 3.04Å; T222-S226 PolarHBondContact O-OG 3.5Å
223	R	41.8	Very low	35.8	Very low	153 Å²	153	124 Å²	124	58%	0.577	71%	0.708	S	S	*	*	H	α-helix	trans	-81.1	-40.1	177.5	-129.8	175.1	-66.1	-136.4	-5.9	111.5	D219 E220 L221 A225 S226	D219-R223 PolarHBondContact O-NE 3.29Å; D219-R223 PolarHBondContact O-NH2 3.47Å; D219-R223 IonicContact OD2-NH2 2.84Å; D219-R223 PolarHBondContact OD2-NH2 3.05Å; E220-R223 WeakPolarHBondContact O-CA 3.47Å; E220-R223 VanDerWaalsContact O-CB 3.29Å; E220-R223 WeakPolarHBondContact O-CB 3.48Å; E220-R223 PolarHBondContact O-N 3.15Å; L221-R223 VanDerWaalsContact C-N 3.34Å; R223-A225 VanDerWaalsContact C-N 3.35Å; R223-S226 WeakPolarHBondContact CA-OG 3.35Å; R223-S226 PolarHBondContact O-N 3Å; R223-S226 PolarHBondContact O-OG 3.3Å
224	I	42.1	Very low	35.7	Very low	135 Å²	135	125.6 Å²	125.6	69%	0.692	71%	0.707	S	S	*	*	H	α-helix	trans	-66.8	-38.4	172.9	-62.5	168.9	0	0	0	110.3	E220 S226 G227	E220-I224 PolarHBondContact O-N 3.22Å; I224-S226 PolarHBondContact O-N 3.28Å; I224-S226 VanDerWaalsContact O-N 3.15Å; I224-G227 PolarHBondContact O-N 2.96Å
225	A	39	Very low	35.3	Very low	85 Å²	85	128.9 Å²	128.9	70%	0.702	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-6	175.2	0	0	0	0	0	115.2	L221 R223	L221-A225 WeakPolarHBondContact O-CB 3.27Å; L221-A225 PolarHBondContact O-N 3.4Å; R223-A225 VanDerWaalsContact C-N 3.35Å
226	S	37	Very low	35.3	Very low	87 Å²	87	130.8 Å²	130.8	61%	0.608	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.9	5.6	177.8	41.9	0	0	0	0	114.4	T222 R223 I224	T222-S226 PolarHBondContact O-OG 3.5Å; R223-S226 WeakPolarHBondContact CA-OG 3.35Å; R223-S226 PolarHBondContact O-N 3Å; R223-S226 PolarHBondContact O-OG 3.3Å; I224-S226 PolarHBondContact O-N 3.28Å; I224-S226 VanDerWaalsContact O-N 3.15Å
227	G	32.2	Very low	34.9	Very low	58 Å²	58	130.7 Å²	130.7	60%	0.598	71%	0.711	S	S	*	*			trans	-79.2	-21.1	177.7	0	0	0	0	0	116	I224 K229	I224-G227 PolarHBondContact O-N 2.96Å; G227-K229 VanDerWaalsContact C-N 3.28Å; G227-K229 PolarHBondContact O-N 3.19Å
228	I	33.8	Very low	34.5	Very low	150 Å²	150	130.7 Å²	130.7	77%	0.769	71%	0.711	S	S	*	*			trans	-79.7	77.6	-178.8	-53.2	-180	0	0	0	110.1	L230	I228-L230 VanDerWaalsContact C-N 3.28Å; I228-L230 PolarHBondContact O-N 3.47Å
229	K	29.4	Very low	34.1	Very low	191 Å²	191	132 Å²	132	83%	0.83	71%	0.712	S	S	*	*			trans	-78	79.4	174.2	-157.1	175.3	-169.9	178.3	0	109.9	G227 I231	G227-K229 VanDerWaalsContact C-N 3.28Å; G227-K229 PolarHBondContact O-N 3.19Å; K229-I231 PolarHBondContact O-N 3.39Å
230	L	29.8	Very low	33.6	Very low	143 Å²	143	135.4 Å²	135.4	75%	0.749	73%	0.725	S	S	*	*			trans	-47.5	113.7	163.2	-79.1	163.9	0	0	0	108.8	I228 S232	I228-L230 VanDerWaalsContact C-N 3.28Å; I228-L230 PolarHBondContact O-N 3.47Å; L230-S232 PolarHBondContact O-N 2.85Å
231	I	28.1	Very low	33	Very low	171 Å²	171	133.2 Å²	133.2	88%	0.877	73%	0.725	S	S	*	*			trans	-72.6	76.1	170.5	-55.9	179.6	0	0	0	107.8	K229	K229-I231 PolarHBondContact O-N 3.39Å
232	S	28.2	Very low	32.6	Very low	57 Å²	57	136.2 Å²	136.2	40%	0.399	73%	0.732	S	S	.	*			trans	-92.3	132.6	157.5	62.9	0	0	0	0	107.5	L230 Q234	L230-S232 PolarHBondContact O-N 2.85Å; S232-Q234 PolarHBondContact O-N 2.86Å; S232-Q234 PolarHBondContact OG-NE2 3.29Å; S232-Q234 VanDerWaalsContact OG-NE2 3.11Å
233	P	31.1	Very low	32.1	Very low	133 Å²	133	138.8 Å²	138.8	86%	0.864	74%	0.74	S	S	*	*			trans	-73.7	79.5	176.7	29.6	-33.7	0	0	0	110	N235	P233-N235 PolarHBondContact O-N 3.26Å
234	Q	31	Very low	31.5	Very low	166 Å²	166	139.7 Å²	139.7	78%	0.776	75%	0.748	S	S	*	*			trans	-89.8	79	172.5	-70.8	-173.9	39.9	0	0	110.6	S232	S232-Q234 PolarHBondContact O-N 2.86Å; S232-Q234 PolarHBondContact OG-NE2 3.29Å; S232-Q234 VanDerWaalsContact OG-NE2 3.11Å
235	N	32	Very low	30.9	Very low	166 Å²	166	139.3 Å²	139.3	89%	0.888	75%	0.748	S	S	*	*			trans	-104.6	84.7	155.8	-129.9	-3.4	0	0	0	108.4	P233	P233-N235 PolarHBondContact O-N 3.26Å
236	K	28.5	Very low	30.6	Very low	202 Å²	202	140.5 Å²	140.5	88%	0.878	75%	0.75	S	S	*	*			trans	-120.6	93	172.2	-95.2	-169.6	176.5	178.8	0	109.4
237	I	29	Very low	30.2	Very low	156 Å²	156	145.2 Å²	145.2	80%	0.8	76%	0.76	S	S	*	*			trans	-133.9	125.9	153.6	-61	-173.9	0	0	0	109.6
238	S	28.5	Very low	30	Very low	94 Å²	94	148.8 Å²	148.8	66%	0.657	77%	0.766	S	S	*	*			trans	47.9	96	164.2	67.2	0	0	0	0	121.1
239	L	28	Very low	30	Very low	159 Å²	159	146 Å²	146	83%	0.832	76%	0.76	S	S	*	*				58.6	124.9	110.5	-65.8	163.5	0	0	0	121.5
240	H	29.8	Very low	29.9	Very low	165 Å²	165	143.9 Å²	143.9	76%	0.764	76%	0.757	S	S	*	*			trans	82.3	86.8	148.8	-85.7	-63.2	0	0	0	121.7
241	S	30.9	Very low	29.9	Very low	89 Å²	89	143.4 Å²	143.4	62%	0.622	76%	0.761	S	S	*	*				11.6	127.6	128.5	64.4	0	0	0	0	119.6
242	K	31.7	Very low	30.1	Very low	206 Å²	206	139.1 Å²	139.1	90%	0.896	75%	0.746	S	S	*	*				-159.2	131.8	99.5	-110.5	173.3	-176.7	179.5	0	115.1
243	I	31.2	Very low	30.4	Very low	148 Å²	148	144.9 Å²	144.9	76%	0.759	77%	0.767	S	S	*	*			trans	-68.3	145.3	167.4	-54.9	150.6	0	0	0	108.5
244	K	30.4	Very low	30.6	Very low	173 Å²	173	143.2 Å²	143.2	75%	0.752	76%	0.758	S	S	*	*				162.7	124.8	103.1	-153.7	148.2	-170.3	174.5	0	115.8
245	D	29.2	Very low	30.5	Very low	127 Å²	127	143.9 Å²	143.9	68%	0.679	76%	0.759	S	S	*	*			trans	32.9	123.9	144.8	-43.3	-11.2	0	0	0	122.6
246	S	32.9	Very low	30.6	Very low	109 Å²	109	142.5 Å²	142.5	76%	0.762	75%	0.751	S	S	*	*				-173.8	122.7	117.4	52	0	0	0	0	108.2
247	F	27.7	Very low	30.7	Very low	186 Å²	186	136.3 Å²	136.3	82%	0.816	75%	0.745	S	S	*	*				40.8	111.1	84.7	-97.3	-103	0	0	0	110.5
248	D	29.9	Very low	30.8	Very low	134 Å²	134	137.7 Å²	137.7	72%	0.717	75%	0.748	S	S	*	*				-172.7	170	63.5	-114.9	-49.4	0	0	0	114.6
249	S	32.6	Very low	31	Very low	91 Å²	91	138.9 Å²	138.9	64%	0.636	75%	0.751	S	S	*	*			trans	64.1	101.8	151.1	64	0	0	0	0	122.2
250	N	28.2	Very low	31.1	Very low	146 Å²	146	139.4 Å²	139.4	78%	0.781	75%	0.749	S	S	*	*				61	149.8	111.1	-66.4	-11.2	0	0	0	123.9
251	T	29.8	Very low	31.1	Very low	133 Å²	133	138.4 Å²	138.4	82%	0.816	76%	0.755	S	S	*	*			trans	66.2	142.2	153.2	39.8	0	0	0	0	118.1
252	S	31.3	Very low	31.1	Very low	82 Å²	82	139.5 Å²	139.5	57%	0.573	76%	0.762	S	S	*	*			cis	-176.3	172.9	-24.3	40.1	0	0	0	0	106.7
253	E	34.3	Very low	31	Very low	178 Å²	178	138.5 Å²	138.5	83%	0.832	76%	0.758	S	S	*	*			trans	71.5	142.3	167.3	-63.1	159.4	-141.1	0	0	115.9
254	S	35	Very low	30.8	Very low	98 Å²	98	138.6 Å²	138.6	69%	0.685	76%	0.76	S	S	*	*			cis	-168.6	154.3	-9.2	51.5	0	0	0	0	112
255	F	30.7	Very low	30.7	Very low	179 Å²	179	138.1 Å²	138.1	79%	0.785	76%	0.761	S	S	*	*			trans	61	114	141.4	-93.1	-128.2	0	0	0	122.5
256	N	32.2	Very low	30.8	Very low	137 Å²	137	139.1 Å²	139.1	73%	0.733	77%	0.765	S	S	*	*				86.7	120	122.9	-71.1	15.9	0	0	0	123.5
257	G	32.6	Very low	30.6	Very low	73 Å²	73	142.4 Å²	142.4	75%	0.753	77%	0.768	S	S	*	*			trans	89.8	139.7	139.7	0	0	0	0	0	116.3
258	E	30.3	Very low	30.7	Very low	184 Å²	184	141 Å²	141	86%	0.86	77%	0.77	S	S	*	*			cis	-155.7	-179.8	-8.7	-74.5	-174.8	134.9	0	0	107.4
259	V	33.4	Very low	30.7	Very low	119 Å²	119	139.7 Å²	139.7	72%	0.721	77%	0.77	S	S	*	*			trans	85.2	106.8	156.9	-167.2	0	0	0	0	119.8
260	E	30.1	Very low	30.7	Very low	170 Å²	170	144 Å²	144	79%	0.794	78%	0.78	S	S	*	*			trans	64.5	109.2	139.9	-61.9	175.3	160.8	0	0	124.8
261	V	28.2	Very low	30.9	Very low	144 Å²	144	144 Å²	144	87%	0.873	78%	0.779	S	S	*	*				47.8	96.2	126.2	-166.6	0	0	0	0	119.4
262	S	31.6	Very low	31	Very low	112 Å²	112	144.4 Å²	144.4	78%	0.783	78%	0.775	S	S	*	*			trans	-154.7	134.1	147.7	63.1	0	0	0	0	113
263	K	29.5	Very low	30.9	Very low	185 Å²	185	148.5 Å²	148.5	80%	0.804	79%	0.785	S	S	*	*			trans	-28.2	129.7	177.6	-63.6	174.1	170.8	-172.7	0	117.7
264	D	27.4	Very low	30.7	Very low	151 Å²	151	144.2 Å²	144.2	81%	0.807	77%	0.771	S	S	*	*			trans	-91.5	100.6	156.5	-88.1	-43.3	0	0	0	111
265	E	27.4	Very low	30.4	Very low	163 Å²	163	146.5 Å²	146.5	76%	0.762	77%	0.774	S	S	*	*			trans	-114.7	80.1	159.5	-80.4	-173.4	123.2	0	0	108.8	Q267	E265-Q267 PolarHBondContact O-N 3.17Å
266	L	32.1	Very low	30.3	Very low	148 Å²	148	146 Å²	146	78%	0.775	77%	0.774	S	S	*	*			trans	-82.5	99	178.8	-92	165.5	0	0	0	111.9	N268	L266-N268 PolarHBondContact O-N 2.82Å
267	Q	28.8	Very low	30.1	Very low	178 Å²	178	147 Å²	147	83%	0.832	78%	0.779	S	S	*	*			trans	-57.1	122.7	171.2	-63.8	172.7	-17.9	0	0	111.3	E265	E265-Q267 PolarHBondContact O-N 3.17Å
268	N	29	Very low	30	Very low	157 Å²	157	148.7 Å²	148.7	84%	0.84	78%	0.775	S	S	*	*			trans	-135.7	97.7	165.4	-94.3	-38.7	0	0	0	109.5	L266	L266-N268 PolarHBondContact O-N 2.82Å
269	S	30.6	Very low	29.8	Very low	105 Å²	105	147.8 Å²	147.8	73%	0.734	78%	0.776	S	S	*	*			trans	-139.2	66.6	175.9	65.6	0	0	0	0	111.8	I271	S269-I271 PolarHBondContact O-N 2.87Å
270	E	31.9	Very low	29.7	Very low	181 Å²	181	148.1 Å²	148.1	85%	0.846	78%	0.778	S	S	*	*			trans	-79	111	162	-68.5	-166.6	146.1	0	0	109.7
271	I	32.6	Very low	29.7	Very low	148 Å²	148	147.4 Å²	147.4	76%	0.759	78%	0.78	S	S	*	*			trans	-113.1	95.9	171.7	-60.8	-179.7	0	0	0	109	S269 Q273	S269-I271 PolarHBondContact O-N 2.87Å; I271-Q273 PolarHBondContact O-N 3.49Å
272	I	31.6	Very low	29.9	Very low	141 Å²	141	149 Å²	149	72%	0.723	78%	0.782	S	S	*	*			trans	-78.5	114.2	169.4	-64.3	176.4	0	0	0	108.8
273	Q	29.1	Very low	29.9	Very low	168 Å²	168	151.3 Å²	151.3	79%	0.785	79%	0.786	S	S	*	*			trans	-67.1	138.1	173.6	-70.4	177.8	-17.3	0	0	111.2	I271	I271-Q273 PolarHBondContact O-N 3.49Å
274	T	29.8	Very low	30.1	Very low	87 Å²	87	145.9 Å²	145.9	53%	0.534	78%	0.782	S	S	.	*			trans	-140.5	112.9	161.7	-34.5	0	0	0	0	106	K493	T274-K493 PolarHBondContact OG1-NZ 3.27Å
275	I	29.3	Very low	30.3	Very low	146 Å²	146	143.5 Å²	143.5	75%	0.749	77%	0.765	S	S	*	*			trans	-87.8	115	178.5	-62.8	170.3	0	0	0	106.9
276	E	29.3	Very low	30.8	Very low	168 Å²	168	137.9 Å²	137.9	79%	0.785	74%	0.74	S	S	*	*			trans	-108.1	134.8	167.7	-74.1	177.6	155.8	0	0	108.5	V278	E276-V278 PolarHBondContact O-N 2.97Å
277	N	27.6	Very low	30.8	Very low	158 Å²	158	132.6 Å²	132.6	85%	0.845	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-77.4	116	-173.1	-63.6	-32.7	0	0	0	110.3
278	V	30.4	Very low	31.1	Very low	109 Å²	109	124.5 Å²	124.5	66%	0.661	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-84	125.7	172.3	-179.6	0	0	0	0	109.6	E276 V280	E276-V278 PolarHBondContact O-N 2.97Å; V278-V280 PolarHBondContact O-N 2.97Å
279	N	26.9	Very low	31.3	Very low	166 Å²	166	120.5 Å²	120.5	89%	0.888	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-70.6	118.2	170.1	-93.5	-23.8	0	0	0	109.4
280	V	31.3	Very low	31.5	Very low	126 Å²	126	118.7 Å²	118.7	76%	0.764	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-92	123.6	176	-177	0	0	0	0	109.5	V278	V278-V280 PolarHBondContact O-N 2.97Å
281	N	29.3	Very low	31.7	Very low	155 Å²	155	110.8 Å²	110.8	83%	0.829	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-65.8	147.3	173.5	-103.2	-27.8	0	0	0	111.1	D283	N281-D283 VanDerWaalsContact C-N 3.33Å; N281-D283 PolarHBondContact O-N 3.34Å
282	L	31.8	Very low	31.8	Very low	176 Å²	176	105.7 Å²	105.7	92%	0.921	57%	0.573	S	S	*	*			trans	-86.1	8.7	-164.2	-129.9	84.2	0	0	0	115.8
283	D	31.4	Very low	31.7	Very low	161 Å²	161	101.8 Å²	101.8	86%	0.861	56%	0.557	S	S	*	*	S	Bend	trans	-103.2	132.3	-171.5	-94.8	-35.8	0	0	0	113.9	N281	N281-D283 VanDerWaalsContact C-N 3.33Å; N281-D283 PolarHBondContact O-N 3.34Å
284	G	34	Very low	32	Very low	71 Å²	71	96.5 Å²	96.5	73%	0.732	53%	0.534	S	S	*	.			trans	58.8	79.9	150.3	0	0	0	0	0	119.1	D286	G284-D286 PolarHBondContact O-N 2.96Å
285	F	32.1	Very low	32.3	Very low	102 Å²	102	96.2 Å²	96.2	45%	0.447	54%	0.535	S	S	.	.			trans	-65.5	112.1	169.3	-178.3	-103.9	0	0	0	113	T185 L186 P287	T185-F285 HydrophobicContact CG2-CB 4.15Å; T185-F285 HydrophobicContact CG2-CD1 3.97Å; T185-F285 HydrophobicContact CG2-CG 4.43Å; L186-F285 HydrophobicContact CB-CE1 4.06Å; L186-F285 HydrophobicContact CD1-CE1 3.69Å; L186-F285 HydrophobicContact CD1-CZ 3.6Å; L186-F285 HydrophobicContact CG-CE1 3.77Å; L186-F285 HydrophobicContact CG-CZ 4.22Å; F285-P287 HydrophobicContact CD1-CG 4.28Å; F285-P287 HydrophobicContact CE1-CG 4.06Å; F285-P287 WeakPolarHBondContact O-CD 3.48Å
286	D	37.3	Very low	32.4	Very low	45 Å²	45	96.1 Å²	96.1	24%	0.241	53%	0.532	C	S	.	.			trans	-98.4	111.3	172.9	178	11.1	0	0	0	112.2	G284 L288 Q289 K806	G284-D286 PolarHBondContact O-N 2.96Å; D286-L288 PolarHBondContact O-N 3.03Å; D286-L288 VanDerWaalsContact OD1-CB 3.29Å; D286-L288 WeakPolarHBondContact OD1-CB 3.4Å; D286-L288 WeakPolarHBondContact OD1-CG 3.39Å; D286-L288 PolarHBondContact OD1-N 2.98Å; D286-Q289 PolarHBondContact O-N 2.81Å; D286-K806 WeakPolarHBondContact OD2-CE 3.49Å; D286-K806 IonicContact OD2-NZ 2.9Å; D286-K806 PolarHBondContact OD2-NZ 2.93Å
287	P	32.9	Very low	32.6	Very low	36 Å²	36	94.5 Å²	94.5	23%	0.234	53%	0.529	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	3.4	173.8	-21.2	34.5	0	0	0	116.6	L186 F285 T290 K951	L186-P287 HydrophobicContact CD2-CB 3.92Å; L186-P287 HydrophobicContact CD2-CG 4.45Å; L186-P287 HydrophobicContact CG-CB 3.9Å; L186-P287 HydrophobicContact CG-CG 4.06Å; F285-P287 HydrophobicContact CD1-CG 4.28Å; F285-P287 HydrophobicContact CE1-CG 4.06Å; F285-P287 WeakPolarHBondContact O-CD 3.48Å; P287-T290 PolarHBondContact O-OG1 3.25Å; P287-K951 PolarHBondContact O-NZ 3.16Å
288	L	34	Very low	32.8	Very low	8 Å²	8	93.1 Å²	93.1	4%	0.042	52%	0.517	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-17.8	173.7	-59.5	173.1	0	0	0	112.7	D286 T290 I291 Y292 E805	D286-L288 PolarHBondContact O-N 3.03Å; D286-L288 VanDerWaalsContact OD1-CB 3.29Å; D286-L288 WeakPolarHBondContact OD1-CB 3.4Å; D286-L288 WeakPolarHBondContact OD1-CG 3.39Å; D286-L288 PolarHBondContact OD1-N 2.98Å; L288-T290 PolarHBondContact O-N 2.9Å; L288-I291 HydrophobicContact CD2-CD1 3.8Å; L288-I291 PolarHBondContact O-N 3.32Å; L288-Y292 PolarHBondContact O-N 3.05Å; L288-E805 WeakPolarHBondContact CD1-OE2 3.43Å
289	Q	34.8	Very low	32.7	Very low	73 Å²	73	95 Å²	95	34%	0.341	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-24.7	173	-77.3	-170.4	-13.1	0	0	112.8	D286 I291 Y292 P293 D294 E296	D286-Q289 PolarHBondContact O-N 2.81Å; Q289-I291 VanDerWaalsContact C-N 3.33Å; Q289-Y292 CarbonylContact O-C 3.48Å; Q289-Y292 VanDerWaalsContact O-O 3.05Å; Q289-P293 VanDerWaalsContact O-CA 3.27Å; Q289-P293 WeakPolarHBondContact O-CA 3.45Å; Q289-P293 VanDerWaalsContact O-N 3.16Å; Q289-D294 HydrophobicContact CG-CB 4.2Å; Q289-D294 WeakPolarHBondContact CG-OD2 3.43Å; Q289-D294 PolarHBondContact NE2-OD2 3.08Å; Q289-E296 PolarHBondContact NE2-OE1 3.18Å
290	T	33.8	Very low	32.7	Very low	68 Å²	68	91.5 Å²	91.5	42%	0.417	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-12.1	171.8	39.2	0	0	0	0	114.1	P287 L288 Y608	P287-T290 PolarHBondContact O-OG1 3.25Å; L288-T290 PolarHBondContact O-N 2.9Å; T290-Y608 PolarHBondContact O-OH 2.85Å
291	I	36	Very low	32.4	Very low	15 Å²	15	89.6 Å²	89.6	8%	0.077	50%	0.504	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-33.5	170.8	-49.3	-174.8	0	0	0	110.2	L288 Q289 K951	L288-I291 HydrophobicContact CD2-CD1 3.8Å; L288-I291 PolarHBondContact O-N 3.32Å; Q289-I291 VanDerWaalsContact C-N 3.33Å; I291-K951 HydrophobicContact CD1-CD 4.47Å
292	Y	34.7	Very low	32.4	Very low	41 Å²	41	89.4 Å²	89.4	16%	0.161	50%	0.498	C	S	.	.	S	Bend	trans	-146.7	110.1	174.3	-61	-82.6	0	0	0	109	L288 Q289 D294 R550	L288-Y292 PolarHBondContact O-N 3.05Å; Q289-Y292 CarbonylContact O-C 3.48Å; Q289-Y292 VanDerWaalsContact O-O 3.05Å; Y292-D294 PolarHBondContact O-N 2.99Å; Y292-D294 VanDerWaalsContact O-N 3.14Å; Y292-R550 HydrophobicContact CD1-CB 4.29Å; Y292-R550 HydrophobicContact CD1-CG 3.74Å; Y292-R550 VanDerWaalsContact CD1-N 3.35Å; Y292-R550 HydrophobicContact CD2-CG 3.87Å; Y292-R550 HydrophobicContact CE1-CB 4.49Å; Y292-R550 HydrophobicContact CE1-CG 3.71Å; Y292-R550 HydrophobicContact CE2-CG 3.86Å; Y292-R550 HydrophobicContact CG-CG 3.78Å
293	P	30.9	Very low	32.1	Very low	58 Å²	58	86.3 Å²	86.3	38%	0.377	49%	0.491	S	S	.	.			trans	-60.5	123.3	-179.7	22.9	-32.8	0	0	0	110.3	Q289 S295 K552 Y608	Q289-P293 VanDerWaalsContact O-CA 3.27Å; Q289-P293 WeakPolarHBondContact O-CA 3.45Å; Q289-P293 VanDerWaalsContact O-N 3.16Å; P293-S295 PolarHBondContact O-N 2.8Å; P293-K552 PolarHBondContact O-NZ 3.32Å; P293-K552 VanDerWaalsContact O-NZ 3.1Å; P293-Y608 HydrophobicContact CG-CD2 3.73Å; P293-Y608 HydrophobicContact CG-CE2 4.13Å; P293-Y608 HydrophobicContact CG-CG 3.98Å
294	D	34.6	Very low	32	Very low	58 Å²	58	86 Å²	86	31%	0.31	49%	0.489	S	S	.	.			trans	-72.6	108.6	159.9	-71.7	-38.4	0	0	0	106.8	Q289 Y292 E296 K552	Q289-D294 HydrophobicContact CG-CB 4.2Å; Q289-D294 WeakPolarHBondContact CG-OD2 3.43Å; Q289-D294 PolarHBondContact NE2-OD2 3.08Å; Y292-D294 PolarHBondContact O-N 2.99Å; Y292-D294 VanDerWaalsContact O-N 3.14Å; D294-E296 HydrophobicContact CB-CG 4.36Å; D294-E296 PolarHBondContact O-N 3.18Å; D294-K552 IonicContact OD1-NZ 3.19Å; D294-K552 PolarHBondContact OD1-NZ 2.95Å
295	S	36.6	Very low	31.7	Very low	80 Å²	80	91.5 Å²	91.5	56%	0.559	50%	0.496	S	S	*	.			trans	-77.2	70.5	171.7	60.7	0	0	0	0	108.9	P293	P293-S295 PolarHBondContact O-N 2.8Å
296	E	29.7	Very low	31.3	Very low	144 Å²	144	92.5 Å²	92.5	67%	0.673	52%	0.516	S	S	*	.			trans	-63.2	145.7	157.2	-62	178	-161.2	0	0	107.3	Q289 D294	Q289-E296 PolarHBondContact NE2-OE1 3.18Å; D294-E296 HydrophobicContact CB-CG 4.36Å; D294-E296 PolarHBondContact O-N 3.18Å
297	D	33.8	Very low	31	Very low	135 Å²	135	101.8 Å²	101.8	72%	0.722	55%	0.547	S	S	*	.	S	Bend	trans	99	25	-174.1	-57.2	-19.5	0	0	0	120.4
298	E	31.8	Very low	30.6	Very low	129 Å²	129	106.5 Å²	106.5	60%	0.603	58%	0.576	S	S	*	*	S	Bend	trans	-135.2	15	164.7	-74.5	-79.7	-175.8	0	0	114.3
299	N	28.1	Very low	30.4	Very low	148 Å²	148	114.4 Å²	114.4	79%	0.791	62%	0.617	S	S	*	*			trans	-113.9	48.4	-178.2	-101.9	-1.6	0	0	0	113.5
300	S	27.1	Very low	30.1	Very low	92 Å²	92	118.8 Å²	118.8	64%	0.643	64%	0.637	S	S	*	*			trans	-140.6	72.7	172.8	53.3	0	0	0	0	112.5	H302	S300-H302 PolarHBondContact O-N 2.93Å
301	S	25.3	Very low	29.9	Very low	87 Å²	87	123.5 Å²	123.5	61%	0.608	66%	0.658	S	S	*	*			trans	-70.3	73.3	161.8	65.4	0	0	0	0	110	K828	S301-K828 PolarHBondContact OG-NZ 3.37Å
302	H	30.1	Very low	29.5	Very low	151 Å²	151	127.4 Å²	127.4	70%	0.699	68%	0.683	S	S	*	*			trans	-116.3	106.5	174.3	-87.2	-70.9	0	0	0	110.7	S300 N304	S300-H302 PolarHBondContact O-N 2.93Å; H302-N304 PolarHBondContact O-N 3.23Å
303	S	24.9	Very low	29.4	Very low	110 Å²	110	132.7 Å²	132.7	77%	0.769	71%	0.712	S	S	*	*			trans	-49.1	117	153.1	49.6	0	0	0	0	109.7
304	N	29.6	Very low	29.5	Very low	154 Å²	154	136.7 Å²	136.7	82%	0.824	73%	0.73	S	S	*	*			trans	-146.1	130.3	162	-98.4	-36.6	0	0	0	109.5	H302	H302-N304 PolarHBondContact O-N 3.23Å
305	E	27.2	Very low	29.2	Very low	187 Å²	187	143 Å²	143	87%	0.874	76%	0.758	S	S	*	*			trans	-76.1	149.4	-169.7	-60.6	173.2	125.3	0	0	112.7	R307	E305-R307 PolarHBondContact O-N 3.3Å; E305-R307 VanDerWaalsContact O-N 3.11Å
306	S	24.1	Very low	29.2	Very low	124 Å²	124	146.3 Å²	146.3	87%	0.867	77%	0.77	S	S	*	*			trans	-30.2	104.6	165.8	-51.9	0	0	0	0	115.6
307	R	30.8	Very low	29.3	Very low	240 Å²	240	146.3 Å²	146.3	91%	0.906	77%	0.77	S	S	*	*			trans	-131.9	90.6	155.4	-77.3	-167.2	174.3	173.1	0.9	112	E305	E305-R307 PolarHBondContact O-N 3.3Å; E305-R307 VanDerWaalsContact O-N 3.11Å
308	T	25.7	Very low	29.4	Very low	135 Å²	135	146.9 Å²	146.9	83%	0.828	77%	0.768	S	S	*	*			trans	-60.2	130.8	162.7	43	0	0	0	0	111.2
309	L	29.4	Very low	29.5	Very low	173 Å²	173	149.1 Å²	149.1	91%	0.906	78%	0.778	S	S	*	*			trans	-121.6	116.2	161.8	-76.6	175.1	0	0	0	110
310	H	27.3	Very low	29.5	Very low	165 Å²	165	148.9 Å²	148.9	76%	0.764	78%	0.777	S	S	*	*			trans	-79.3	138	175.8	-117.1	-93.2	0	0	0	110.4	T312	H310-T312 PolarHBondContact ND1-OG1 3.11Å
311	I	30.7	Very low	29.9	Very low	167 Å²	167	151.3 Å²	151.3	86%	0.856	79%	0.788	S	S	*	*			trans	-131.4	124.6	153.7	-61	-177.4	0	0	0	107.9
312	T	27.8	Very low	30.1	Very low	97 Å²	97	151 Å²	151	60%	0.595	79%	0.791	S	S	*	*			trans	-120.2	128.7	-172.4	-57.8	0	0	0	0	109.6	H310	H310-T312 PolarHBondContact ND1-OG1 3.11Å
313	I	31.1	Very low	30.3	Very low	152 Å²	152	152.4 Å²	152.4	78%	0.779	80%	0.8	S	S	*	*			trans	-139.4	99.9	159.5	-56	-176.5	0	0	0	111
314	N	33.7	Very low	30.6	Very low	142 Å²	142	156 Å²	156	76%	0.759	80%	0.802	S	S	*	*			trans	44.5	126.6	143	-54	-8	0	0	0	122.5
315	Q	29.5	Very low	30.7	Very low	190 Å²	190	154 Å²	154	89%	0.888	80%	0.8	S	S	*	*			trans	-125.9	143	157.5	-72.1	-177.5	-10.2	0	0	109.7
316	D	35.1	Very low	30.9	Very low	151 Å²	151	154.2 Å²	154.2	81%	0.807	80%	0.798	S	S	*	*			trans	-116.4	99.3	171.4	-91.9	-41.3	0	0	0	112.7
317	Q	31.9	Very low	31.3	Very low	144 Å²	144	153.3 Å²	153.3	67%	0.673	79%	0.792	S	S	*	*				47.1	142.6	126.6	-68.1	-162.9	50.8	0	0	125.7
318	Q	36.9	Very low	31.2	Very low	147 Å²	147	147.3 Å²	147.3	69%	0.687	78%	0.782	S	S	*	*			trans	79.7	145.6	147.5	-75.1	169	50	0	0	120.2
319	Q	33	Very low	31.4	Very low	175 Å²	175	147 Å²	147	82%	0.818	78%	0.779	S	S	*	*			cis	-162.7	-172	-25.4	-125.2	179.9	36.2	0	0	111.4
320	N	29.3	Very low	31.5	Very low	144 Å²	144	144.9 Å²	144.9	77%	0.77	77%	0.773	S	S	*	*			trans	-87	177.5	-158.2	-83.3	-48.8	0	0	0	119.5
321	T	33.8	Very low	31.6	Very low	142 Å²	142	141 Å²	141	87%	0.871	77%	0.765	S	S	*	*			trans	109.8	155.4	147.7	69.9	0	0	0	0	117.8
322	A	30.8	Very low	31.6	Very low	81 Å²	81	138.7 Å²	138.7	67%	0.669	76%	0.759	S	S	*	*			cis	-172.5	166.3	-36.9	0	0	0	0	0	110.9
323	M	33.3	Very low	32	Very low	181 Å²	181	140.4 Å²	140.4	89%	0.892	76%	0.764	S	S	*	*			trans	76.5	155.9	164.3	-54.6	-154.6	-163.8	0	0	120.1
324	K	31.4	Very low	32.1	Very low	184 Å²	184	141.1 Å²	141.1	80%	0.8	76%	0.762	S	S	*	*			cis	-175.2	149.6	-32.9	-157.9	171.9	-175.2	176.6	0	110.9
325	S	33.2	Very low	32.3	Very low	112 Å²	112	141 Å²	141	78%	0.783	76%	0.761	S	S	*	*			trans	73.5	156.4	158	88.2	0	0	0	0	118.4
326	K	31	Very low	32.5	Very low	193 Å²	193	136.4 Å²	136.4	84%	0.839	75%	0.75	S	S	*	*			cis	-169.3	163.5	-7.4	-135.1	-179.3	178.4	-176.6	0	110.5
327	S	31.1	Very low	32.5	Very low	105 Å²	105	136.9 Å²	136.9	73%	0.734	75%	0.747	S	S	*	*			trans	73.2	145.3	143.4	174.8	0	0	0	0	119.7
328	T	30.2	Very low	32.6	Very low	113 Å²	113	137.3 Å²	137.3	69%	0.693	75%	0.753	S	S	*	*			cis	-173.8	128.4	-9.8	-82.8	0	0	0	0	111.5
329	V	29.4	Very low	32.3	Very low	129 Å²	129	135.4 Å²	135.4	78%	0.782	75%	0.753	S	S	*	*			trans	54	159.7	139.5	-174.7	0	0	0	0	122.6
330	V	31.4	Very low	32.3	Very low	128 Å²	128	134.7 Å²	134.7	78%	0.776	75%	0.754	S	S	*	*			trans	97.7	116.3	169.3	-173.7	0	0	0	0	113
331	S	29.9	Very low	32.4	Very low	85 Å²	85	133.3 Å²	133.3	59%	0.594	75%	0.751	S	S	*	*			cis	141.6	146.8	-13.3	60	0	0	0	0	107.8
332	T	30.6	Very low	32.5	Very low	118 Å²	118	134 Å²	134	72%	0.724	75%	0.747	S	S	*	*			trans	62.8	141.7	165.9	48.8	0	0	0	0	117.1
333	D	36	Very low	32.8	Very low	132 Å²	132	137.9 Å²	137.9	71%	0.706	75%	0.752	S	S	*	*			cis	-152.2	179.8	4.3	-115.9	-35.9	0	0	0	112.5
334	K	33.5	Very low	33	Very low	168 Å²	168	134.8 Å²	134.8	73%	0.73	75%	0.745	S	S	*	*			trans	-52	164.7	-177.9	-48.4	164.7	-173.8	172.2	0	114.6
335	D	36.9	Very low	33.6	Very low	140 Å²	140	131.9 Å²	131.9	75%	0.749	75%	0.745	S	S	*	*				-169.1	157.1	66.4	-96.6	-36	0	0	0	113.7
336	S	34.1	Very low	33.7	Very low	93 Å²	93	131.8 Å²	131.8	65%	0.65	74%	0.742	S	S	*	*			trans	19.2	152.3	153.4	23.8	0	0	0	0	123
337	E	34.7	Very low	33.7	Very low	161 Å²	161	132 Å²	132	75%	0.752	75%	0.746	S	S	*	*			cis	-164.5	142.6	14.1	-123	162.3	-153.8	0	0	113.1
338	L	33.4	Very low	33.8	Very low	153 Å²	153	135.6 Å²	135.6	80%	0.801	75%	0.751	S	S	*	*			trans	66.3	156.8	141.9	-68.5	166.8	0	0	0	123.6
339	P	32.4	Very low	34	Very low	106 Å²	106	136 Å²	136	69%	0.688	76%	0.758	S	S	*	*			trans	-111.9	162	-156.9	41.9	-33.3	0	0	0	115.4
340	I	31.7	Very low	34.2	Very low	160 Å²	160	139.8 Å²	139.8	82%	0.821	76%	0.764	S	S	*	*			trans	-99.9	112.9	173.3	-62.5	173.8	0	0	0	110.1	I342	I340-I342 HydrophobicContact CG2-CG1 4.12Å
341	T	31	Very low	34.2	Very low	116 Å²	116	139.4 Å²	139.4	71%	0.712	77%	0.767	S	S	*	*			trans	-86.1	135.4	163	-60.8	0	0	0	0	109.4	Q343	T341-Q343 HydrophobicContact CG2-CG 4.34Å
342	I	36.2	Very low	34.3	Very low	156 Å²	156	143.8 Å²	143.8	80%	0.8	78%	0.781	S	S	*	*			trans	-111.4	110.7	170	-59	179.9	0	0	0	108.3	I340	I340-I342 HydrophobicContact CG2-CG1 4.12Å
343	Q	36.8	Very low	34.2	Very low	162 Å²	162	145.9 Å²	145.9	76%	0.757	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-84.9	156.7	170.4	-71.9	-178.1	-6.9	0	0	110.5	T341	T341-Q343 HydrophobicContact CG2-CG 4.34Å
344	P	38.5	Very low	34.1	Very low	116 Å²	116	146.5 Å²	146.5	75%	0.753	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-66.1	150.4	173.6	28.9	-35.3	0	0	0	111.8
345	P	42.9	Very low	34.1	Very low	124 Å²	124	145.6 Å²	145.6	81%	0.805	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-73.3	139.1	-174.2	29.3	-34.7	0	0	0	112.5
346	P	35.6	Very low	33.7	Very low	110 Å²	110	145.5 Å²	145.5	71%	0.714	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-82.2	150.6	178.3	33.1	-35	0	0	0	112.7
347	Q	31.4	Very low	33.6	Very low	197 Å²	197	151 Å²	151	92%	0.921	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-66.3	132.2	165.3	-68.3	174.7	-35.2	0	0	110.3
348	Q	34.1	Very low	33.3	Very low	181 Å²	181	150.1 Å²	150.1	85%	0.846	80%	0.804	S	S	*	*			trans	-136.8	120	163.9	-76.4	-168.5	-7.6	0	0	111
349	S	34.4	Very low	33.3	Very low	121 Å²	121	150 Å²	150	85%	0.846	80%	0.803	S	S	*	*			trans	-69.2	143.6	167.1	46.9	0	0	0	0	110.9
350	K	33.4	Very low	33.3	Very low	209 Å²	209	153 Å²	153	91%	0.909	81%	0.808	S	S	*	*			trans	-114.1	110.2	162.7	-80.7	-175.4	177.2	176.9	0	109.2
351	S	30.3	Very low	33.1	Very low	119 Å²	119	150.2 Å²	150.2	83%	0.832	80%	0.802	S	S	*	*			trans	-73.2	140.7	161.1	48.1	0	0	0	0	109.7
352	M	32.8	Very low	33.3	Very low	178 Å²	178	153 Å²	153	88%	0.877	81%	0.811	S	S	*	*			trans	-135.4	103.4	166.9	-156	172.5	77.1	0	0	108.5
353	N	28.5	Very low	32.8	Very low	161 Å²	161	150 Å²	150	86%	0.861	80%	0.804	S	S	*	*			trans	-87.9	132.8	173.1	-112.1	-13.8	0	0	0	108.6
354	I	34.4	Very low	32.5	Very low	145 Å²	145	148.4 Å²	148.4	74%	0.744	80%	0.8	S	S	*	*			trans	-153.4	116.9	156.8	-105.8	150.4	0	0	0	110.6
355	L	31.7	Very low	32.4	Very low	150 Å²	150	150 Å²	150	79%	0.785	80%	0.797	S	S	*	*			trans	54.9	121.7	157.9	-79.2	76.3	0	0	0	121.6
356	D	28.6	Very low	31.9	Very low	138 Å²	138	151.5 Å²	151.5	74%	0.738	79%	0.794	S	S	*	*			trans	-61.1	152.6	162	-47.3	-82.4	0	0	0	113.8
357	F	33.2	Very low	31.6	Very low	208 Å²	208	153.4 Å²	153.4	91%	0.912	80%	0.798	S	S	*	*			trans	-144.5	121.6	133.9	-99	-76	0	0	0	110.1
358	N	27.2	Very low	31.7	Very low	143 Å²	143	154.1 Å²	154.1	77%	0.765	80%	0.798	S	S	*	*			trans	-87.2	170	175.4	-90.6	-29	0	0	0	112.2
359	I	35.1	Very low	31.3	Very low	150 Å²	150	153.7 Å²	153.7	77%	0.769	80%	0.798	S	S	*	*			trans	136.2	88.2	156.2	-73.2	159	0	0	0	107.3
360	E	31.3	Very low	31.2	Very low	170 Å²	170	155.7 Å²	155.7	79%	0.794	80%	0.798	S	S	*	*				81.2	104.1	85.4	-78.7	-176.8	162.4	0	0	114.1
361	S	28.5	Very low	30.9	Very low	101 Å²	101	151.8 Å²	151.8	71%	0.706	79%	0.791	S	S	*	*			trans	25.7	131.9	136.1	58.1	0	0	0	0	121.3
362	I	34.3	Very low	31.1	Very low	175 Å²	175	155.2 Å²	155.2	90%	0.897	79%	0.794	S	S	*	*				-154.7	145.1	124	-97.7	144.5	0	0	0	108.8
363	S	26.8	Very low	30.9	Very low	92 Å²	92	155.3 Å²	155.3	64%	0.643	79%	0.793	S	S	*	*			trans	-122.1	170.6	-176.8	62.6	0	0	0	0	112
364	N	30	Very low	31.2	Very low	128 Å²	128	155.2 Å²	155.2	68%	0.684	79%	0.792	S	S	*	*			trans	75.8	156.3	172.1	-49.2	8.8	0	0	0	114.4
365	E	35.7	Very low	30.9	Very low	149 Å²	149	154.5 Å²	154.5	70%	0.696	79%	0.79	S	S	*	*			cis	-159.6	146.6	22.4	-143.7	139.7	-111.6	0	0	113.1
366	E	33	Very low	31.1	Very low	157 Å²	157	155.7 Å²	155.7	73%	0.734	79%	0.791	S	S	*	*			trans	55.1	113.7	144.1	-70.3	-179.1	177.9	0	0	126.2
367	N	29.8	Very low	31.3	Very low	149 Å²	149	153.2 Å²	153.2	80%	0.797	78%	0.784	S	S	*	*				43.1	122.5	115.5	-61.8	-34.8	0	0	0	122.9
368	K	32.1	Very low	31.1	Very low	213 Å²	213	149.4 Å²	149.4	93%	0.926	78%	0.778	S	S	*	*				-164.1	139.9	120.3	-128.6	173.5	-179.3	176.1	0	116.1
369	M	26.1	Very low	31.3	Very low	172 Å²	172	150.6 Å²	150.6	85%	0.847	79%	0.785	S	S	*	*			trans	-76.3	153.7	169.5	-57	161.7	170.4	0	0	112.6
370	I	32.9	Very low	30.9	Very low	162 Å²	162	152.2 Å²	152.2	83%	0.831	79%	0.789	S	S	*	*				-144.6	137.6	129.4	-60.9	-169.4	0	0	0	108.8
371	T	26.8	Very low	31.1	Very low	127 Å²	127	151 Å²	151	78%	0.779	79%	0.794	S	S	*	*			trans	-112.5	138.9	171.1	46.2	0	0	0	0	110.1
372	E	34.1	Very low	31.1	Very low	191 Å²	191	154.4 Å²	154.4	89%	0.893	80%	0.804	S	S	*	*			trans	-139.8	131.3	156.1	-69.8	-168.2	153.8	0	0	109.9
373	E	27.9	Very low	31	Very low	180 Å²	180	150.2 Å²	150.2	84%	0.841	80%	0.795	S	S	*	*			trans	-92.7	151.5	169	-57.7	174.9	139.1	0	0	108.4
374	D	35.5	Very low	31.1	Very low	160 Å²	160	154 Å²	154	86%	0.856	81%	0.809	S	S	*	*			trans	-158.4	154	139.7	-123.3	-28.8	0	0	0	114.2
375	N	29.3	Very low	31.2	Very low	130 Å²	130	155.4 Å²	155.4	70%	0.695	81%	0.814	S	S	*	*			trans	-94.1	158.6	-168.9	-65.7	-90.5	0	0	0	112.9
376	H	35.5	Very low	31.2	Very low	174 Å²	174	152.7 Å²	152.7	81%	0.806	81%	0.812	S	S	*	*				-177.3	117.5	120.4	-106	-72.5	0	0	0	117
377	S	32.7	Very low	31.7	Very low	86 Å²	86	151.5 Å²	151.5	60%	0.601	82%	0.818	S	S	*	*			trans	39.5	108	138.5	56.8	0	0	0	0	123
378	T	27.8	Very low	32.2	Very low	128 Å²	128	150.5 Å²	150.5	79%	0.785	82%	0.817	S	S	*	*				28.1	127.8	121.6	58.7	0	0	0	0	121.2
379	N	31.7	Very low	32.9	Very low	168 Å²	168	143.9 Å²	143.9	90%	0.898	80%	0.795	S	S	*	*				-158.7	136	125.7	-103.4	-20.9	0	0	0	111.6
380	E	28.2	Very low	33.8	Very low	184 Å²	184	139.9 Å²	139.9	86%	0.86	78%	0.781	S	S	*	*			trans	-81.5	145.9	173.9	-57.4	173.8	147.2	0	0	110.8
381	T	33.7	Very low	33.9	Very low	145 Å²	145	138.7 Å²	138.7	89%	0.89	79%	0.785	S	S	*	*			trans	-168.7	142.4	143.8	12.3	0	0	0	0	111.4
382	N	28.4	Very low	34.6	Very low	172 Å²	172	136.3 Å²	136.3	92%	0.92	79%	0.785	S	S	*	*			trans	-69.8	138.8	-176.8	-57.5	-53.9	0	0	0	113.3
383	A	32.7	Very low	34.9	Very low	87 Å²	87	136.9 Å²	136.9	72%	0.719	78%	0.779	S	S	*	*			trans	-157.1	132.6	152.7	0	0	0	0	0	111.3
384	N	28.4	Very low	35.7	Very low	173 Å²	173	133.6 Å²	133.6	93%	0.925	77%	0.771	S	S	*	*			trans	-67.8	128.7	175.2	-61.9	-32.1	0	0	0	110.6
385	I	32	Very low	35.8	Very low	156 Å²	156	131.3 Å²	131.3	80%	0.8	76%	0.758	S	S	*	*			trans	-138.8	122	171.1	-57.6	-178.8	0	0	0	109.2
386	S	36.2	Very low	36	Very low	93 Å²	93	133.5 Å²	133.5	65%	0.65	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-75.1	152	172.5	41.4	0	0	0	0	111.5	T388	S386-T388 PolarHBondContact O-N 3.33Å
387	P	43	Very low	36.1	Very low	131 Å²	131	134.5 Å²	134.5	85%	0.851	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-70.5	122.7	179.3	28.9	-33.5	0	0	0	110.9
388	T	40.7	Very low	36.2	Very low	128 Å²	128	137.4 Å²	137.4	79%	0.785	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-88.3	137.4	176.8	49.7	0	0	0	0	111.9	S386	S386-T388 PolarHBondContact O-N 3.33Å
389	T	48.2	Very low	36.8	Very low	75 Å²	75	139.7 Å²	139.7	46%	0.46	78%	0.781	S	S	.	*	P	Polyproline II helix	trans	-64.3	139.3	-178.5	-39.1	0	0	0	0	112.6	W393	T389-W393 HydrophobicContact CG2-CB 3.82Å; T389-W393 HydrophobicContact CG2-CG 4.38Å
390	P	43.7	Very low	37	Very low	87 Å²	87	139.3 Å²	139.3	57%	0.565	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-65.6	149.9	178.6	-22.4	34	0	0	0	114	G392 W393	P390-G392 PolarHBondContact O-N 2.74Å; P390-W393 PolarHBondContact O-N 2.88Å
391	P	35.7	Very low	37.4	Very low	138 Å²	138	137.6 Å²	137.6	90%	0.896	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	123.8	179.7	27.3	-34.5	0	0	0	111.3
392	G	41.1	Very low	37.6	Very low	76 Å²	76	137.1 Å²	137.1	78%	0.784	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	126.7	-11.9	-176	0	0	0	0	0	114	P390	P390-G392 PolarHBondContact O-N 2.74Å
393	W	39.6	Very low	38	Very low	204 Å²	204	135 Å²	135	77%	0.773	76%	0.755	S	S	*	*			trans	-101.1	138.9	170.4	-72.4	67.5	0	0	0	110.1	T389 P390	T389-W393 HydrophobicContact CG2-CB 3.82Å; T389-W393 HydrophobicContact CG2-CG 4.38Å; P390-W393 PolarHBondContact O-N 2.88Å
394	V	46.5	Very low	38	Very low	110 Å²	110	136.9 Å²	136.9	67%	0.667	75%	0.753	S	S	*	*			trans	-115.2	110.3	177.4	-171.1	0	0	0	0	106.9	F396	V394-F396 HydrophobicContact CB-CE2 4.3Å; V394-F396 HydrophobicContact CG1-CE2 4.2Å; V394-F396 HydrophobicContact CG1-CZ 4.37Å
395	D	36.9	Very low	38.4	Very low	112 Å²	112	134.9 Å²	134.9	60%	0.599	74%	0.742	S	S	*	*			trans	-74.3	130.5	174.4	-68.7	-44.1	0	0	0	109.3
396	F	33.7	Very low	38.5	Very low	177 Å²	177	133.8 Å²	133.8	78%	0.776	74%	0.738	S	S	*	*			trans	-111.1	107.5	173.6	-72.7	-88.9	0	0	0	108.7	V394	V394-F396 HydrophobicContact CB-CE2 4.3Å; V394-F396 HydrophobicContact CG1-CE2 4.2Å; V394-F396 HydrophobicContact CG1-CZ 4.37Å
397	F	37	Very low	38.5	Very low	194 Å²	194	135.4 Å²	135.4	85%	0.851	74%	0.739	S	S	*	*			trans	-142.4	155.7	162.4	-76.5	-69.1	0	0	0	108.6
398	D	35.7	Very low	38.3	Very low	148 Å²	148	134.7 Å²	134.7	79%	0.791	73%	0.728	S	S	*	*			trans	-88.3	158.5	-143.3	-51.5	-83.3	0	0	0	116
399	D	40.4	Very low	38	Very low	176 Å²	176	134.6 Å²	134.6	94%	0.941	72%	0.723	S	S	*	*			trans	-146.9	103.2	167.2	-115.2	-20.5	0	0	0	106.9
400	D	34.8	Very low	37.4	Very low	159 Å²	159	137 Å²	137	85%	0.85	73%	0.733	S	S	*	*			trans	-127.5	115.4	-177.2	-147.9	9.7	0	0	0	109.1
401	D	36.8	Very low	36.9	Very low	149 Å²	149	138.9 Å²	138.9	80%	0.797	74%	0.738	S	S	*	*			trans	-169.2	156.3	152.8	-135.4	-23.6	0	0	0	116.4
402	I	37.4	Very low	36.7	Very low	134 Å²	134	138.8 Å²	138.8	69%	0.687	73%	0.73	S	S	*	*			trans	88.8	91.2	154.3	-62.9	158.2	0	0	0	120.6
403	N	37	Very low	36.2	Very low	128 Å²	128	139.6 Å²	139.6	68%	0.684	72%	0.724	S	S	*	*				74.6	109.9	125.9	-80.9	-55.9	0	0	0	125.6
404	N	33.4	Very low	35.7	Very low	127 Å²	127	137.6 Å²	137.6	68%	0.679	73%	0.728	S	S	*	*				46.7	117.5	110.4	-82	-45.4	0	0	0	122.2
405	N	35.9	Very low	34.9	Very low	130 Å²	130	136.3 Å²	136.3	70%	0.695	73%	0.73	S	S	*	*				173.1	137.3	94.4	-96.8	-63.7	0	0	0	114
406	N	34.7	Very low	34.5	Very low	133 Å²	133	140.3 Å²	140.3	71%	0.711	75%	0.75	S	S	*	*			trans	27.9	139.9	135	-58.4	-32.3	0	0	0	119.8
407	N	36.7	Very low	34.3	Very low	127 Å²	127	136 Å²	136	68%	0.679	74%	0.742	S	S	*	*			cis	-173.2	171	37.2	-137.7	26.7	0	0	0	113.3
408	D	38.3	Very low	34	Very low	117 Å²	117	134.1 Å²	134.1	63%	0.626	74%	0.74	S	S	*	*			trans	72.4	90.5	148.6	-69.2	-44.6	0	0	0	123.6
409	N	35.3	Very low	34	Very low	125 Å²	125	133.7 Å²	133.7	67%	0.668	74%	0.743	S	S	*	*				65.1	126.7	102.5	-74	-47.9	0	0	0	123.5
410	N	34.1	Very low	33.7	Very low	127 Å²	127	130.8 Å²	130.8	68%	0.679	73%	0.732	S	S	*	*			trans	97.2	109.8	132.1	-78.3	-23.8	0	0	0	122.8
411	N	33.8	Very low	33.5	Very low	126 Å²	126	127.9 Å²	127.9	67%	0.674	73%	0.73	S	S	*	*				99	113.5	122.8	-71.1	-22.3	0	0	0	121.9
412	N	32	Very low	33.4	Very low	136 Å²	136	130 Å²	130	73%	0.727	73%	0.732	S	S	*	*			trans	83.2	100.4	130.2	-69.3	-10.6	0	0	0	120.6
413	S	29.3	Very low	33.4	Very low	93 Å²	93	132.1 Å²	132.1	65%	0.65	74%	0.737	S	S	*	*				53.4	104.7	125	67	0	0	0	0	118.5
414	N	29.6	Very low	33.7	Very low	161 Å²	161	132.9 Å²	132.9	86%	0.861	74%	0.74	S	S	*	*				-175	160.8	111.9	-92.4	-39	0	0	0	111.8
415	A	29.8	Very low	34.4	Very low	84 Å²	84	131.5 Å²	131.5	69%	0.694	73%	0.733	S	S	*	*			trans	64.6	80.9	166.6	0	0	0	0	0	118	S417	A415-S417 PolarHBondContact O-N 2.68Å
416	L	29.6	Very low	35.4	Very low	195 Å²	195	132.6 Å²	132.6	100%	1.021	73%	0.731	S	S	*	*			trans	-84.2	81.5	155.5	-127.6	86.8	0	0	0	110.1
417	S	29.8	Very low	36.6	Very low	87 Å²	87	132 Å²	132	61%	0.608	73%	0.728	S	S	*	*			trans	-155.7	139.9	161.9	57.1	0	0	0	0	109.2	A415	A415-S417 PolarHBondContact O-N 2.68Å
418	N	30.7	Very low	37.5	Very low	154 Å²	154	130.5 Å²	130.5	82%	0.824	72%	0.723	S	S	*	*			trans	81.3	81.1	-174.2	-45.2	-32.7	0	0	0	116.3
419	V	35.2	Very low	38.3	Very low	139 Å²	139	128 Å²	128	84%	0.842	71%	0.712	S	S	*	*			trans	-125.6	129.9	133.5	-178.3	0	0	0	0	107.6
420	T	33.9	Very low	39.4	Very low	115 Å²	115	126.4 Å²	126.4	71%	0.706	70%	0.704	S	S	*	*			trans	-75.3	145	-169.1	41.5	0	0	0	0	113	F422	T420-F422 PolarHBondContact O-N 2.75Å
421	A	30.3	Very low	40.4	Very low	99 Å²	99	127.7 Å²	127.7	82%	0.818	70%	0.703	S	S	*	*			trans	-61	119.2	175.7	0	0	0	0	0	111.8	K423	A421-K423 PolarHBondContact O-N 3.21Å
422	F	35.1	Very low	41.3	Very low	192 Å²	192	125.5 Å²	125.5	84%	0.842	70%	0.703	S	S	*	*			trans	-72.9	95.6	164.1	-78.3	-83.6	0	0	0	108.8	T420 L424	T420-F422 PolarHBondContact O-N 2.75Å; F422-L424 PolarHBondContact O-N 3.38Å; F422-L424 VanDerWaalsContact O-N 3.11Å
423	K	36.2	Very low	42	Very low	180 Å²	180	127.2 Å²	127.2	78%	0.783	70%	0.704	S	S	*	*			trans	-74	96.3	171.7	-166.4	-176.6	-176.5	-165.6	0	107.8	A421 D425	A421-K423 PolarHBondContact O-N 3.21Å; K423-D425 PolarHBondContact O-N 3.27Å
424	L	44.5	Very low	42.6	Very low	144 Å²	144	129 Å²	129	75%	0.754	70%	0.702	S	S	*	*			trans	-73.2	112.3	176.7	-159.2	73.1	0	0	0	108.3	F422 K426 V429	F422-L424 PolarHBondContact O-N 3.38Å; F422-L424 VanDerWaalsContact O-N 3.11Å; L424-K426 PolarHBondContact O-N 2.84Å; L424-V429 HydrophobicContact CD2-CG2 4.18Å
425	D	48.7	Very low	43.2	Very low	98 Å²	98	128.6 Å²	128.6	52%	0.524	70%	0.698	S	S	.	*			trans	-67.7	128.2	-178.1	-83.9	-34	0	0	0	110.7	K423 D427 V428	K423-D425 PolarHBondContact O-N 3.27Å; D425-D427 PolarHBondContact O-N 3.31Å; D425-V428 HydrophobicContact CB-CG2 4.27Å; D425-V428 WeakPolarHBondContact O-CB 3.39Å; D425-V428 PolarHBondContact O-N 2.84Å
426	K	56.2	Low	43.5	Very low	152 Å²	152	132.4 Å²	132.4	66%	0.661	70%	0.702	S	S	*	*	H	α-helix	trans	-56.7	-37.6	-175.7	-164.9	-179.9	176.7	-170.7	0	112.1	L424 V428 V429 D430	L424-K426 PolarHBondContact O-N 2.84Å; K426-V428 PolarHBondContact O-N 3.27Å; K426-V428 VanDerWaalsContact O-N 3.15Å; K426-V429 PolarHBondContact O-N 2.96Å; K426-D430 PolarHBondContact O-N 2.97Å
427	D	58.9	Low	43.8	Very low	120 Å²	120	130.6 Å²	130.6	64%	0.642	69%	0.692	S	S	*	*	H	α-helix	trans	-62.8	-18.5	179.8	-51.5	0.9	0	0	0	113.9	D425 K431	D425-D427 PolarHBondContact O-N 3.31Å; D427-K431 WeakPolarHBondContact O-CG 3.45Å; D427-K431 PolarHBondContact O-N 3.14Å
428	V	56.7	Low	44.2	Very low	97 Å²	97	134.2 Å²	134.2	59%	0.588	70%	0.7	S	S	*	*	H	α-helix	trans	-84.1	-33.5	175	-176.7	0	0	0	0	111.1	D425 K426 A432	D425-V428 HydrophobicContact CB-CG2 4.27Å; D425-V428 WeakPolarHBondContact O-CB 3.39Å; D425-V428 PolarHBondContact O-N 2.84Å; K426-V428 PolarHBondContact O-N 3.27Å; K426-V428 VanDerWaalsContact O-N 3.15Å; V428-A432 PolarHBondContact O-N 3.06Å
429	V	54.6	Low	44.5	Very low	64 Å²	64	136.3 Å²	136.3	39%	0.388	70%	0.704	S	S	.	*	H	α-helix	trans	-73.3	-44.5	175.4	-175	0	0	0	0	110	L424 K426 K431 A432 F433	L424-V429 HydrophobicContact CD2-CG2 4.18Å; K426-V429 PolarHBondContact O-N 2.96Å; V429-K431 VanDerWaalsContact C-N 3.25Å; V429-K431 PolarHBondContact O-N 2.82Å; V429-A432 WeakPolarHBondContact O-CB 3.24Å; V429-A432 PolarHBondContact O-N 3.43Å; V429-F433 HydrophobicContact CG1-CD2 4.42Å; V429-F433 HydrophobicContact CG1-CE2 4.32Å; V429-F433 WeakPolarHBondContact O-CD2 3.5Å
430	D	58.1	Low	44.6	Very low	92 Å²	92	137 Å²	137	49%	0.492	70%	0.699	S	S	.	*	H	α-helix	trans	-62.7	-33.1	179.4	-67.5	-21.8	0	0	0	111.5	K426 F433 E434	K426-D430 PolarHBondContact O-N 2.97Å; D430-F433 PolarHBondContact O-N 2.67Å; D430-E434 PolarHBondContact O-N 3.44Å
431	K	55.2	Low	45	Very low	154 Å²	154	139 Å²	139	67%	0.67	71%	0.705	S	S	*	*	H	α-helix	trans	-74.5	-20.5	172	-80.3	-179.1	175.3	178.4	0	115.5	D427 V429	D427-K431 WeakPolarHBondContact O-CG 3.45Å; D427-K431 PolarHBondContact O-N 3.14Å; V429-K431 VanDerWaalsContact C-N 3.25Å; V429-K431 PolarHBondContact O-N 2.82Å
432	A	52.3	Low	45.2	Very low	80 Å²	80	143.3 Å²	143.3	66%	0.661	71%	0.708	S	S	*	*	H	α-helix	trans	-78.1	-12.5	175.1	0	0	0	0	0	112.7	V428 V429	V428-A432 PolarHBondContact O-N 3.06Å; V429-A432 WeakPolarHBondContact O-CB 3.24Å; V429-A432 PolarHBondContact O-N 3.43Å
433	F	48.4	Very low	45.4	Very low	171 Å²	171	141.1 Å²	141.1	75%	0.75	71%	0.705	S	S	*	*	S	Bend	trans	-107.9	-1.3	175.7	-75.7	-82.2	0	0	0	113.9	V429 D430 I435	V429-F433 HydrophobicContact CG1-CD2 4.42Å; V429-F433 HydrophobicContact CG1-CE2 4.32Å; V429-F433 WeakPolarHBondContact O-CD2 3.5Å; D430-F433 PolarHBondContact O-N 2.67Å; F433-I435 VanDerWaalsContact C-N 3.33Å; F433-I435 PolarHBondContact O-N 3.19Å
434	E	40.9	Very low	45.6	Very low	130 Å²	130	140.4 Å²	140.4	61%	0.607	71%	0.71	S	S	*	*			trans	-74.9	84.6	166.6	-78	-171.9	138.7	0	0	110.3	D430 Q436	D430-E434 PolarHBondContact O-N 3.44Å; E434-Q436 PolarHBondContact O-N 3.24Å
435	I	43.1	Very low	45.3	Very low	153 Å²	153	144.4 Å²	144.4	79%	0.785	72%	0.715	S	S	*	*			trans	-64.9	103.1	162.3	-62	176	0	0	0	107.2	F433 L437	F433-I435 VanDerWaalsContact C-N 3.33Å; F433-I435 PolarHBondContact O-N 3.19Å; I435-L437 PolarHBondContact O-N 3.37Å
436	Q	34.5	Very low	45.1	Very low	165 Å²	165	144.9 Å²	144.9	77%	0.771	73%	0.726	S	S	*	*			trans	-68.6	96.2	170.5	-68.4	179.5	-2.1	0	0	108.2	E434 E438	E434-Q436 PolarHBondContact O-N 3.24Å; Q436-E438 PolarHBondContact O-N 3.42Å
437	L	37.3	Very low	44.5	Very low	156 Å²	156	146.9 Å²	146.9	82%	0.817	74%	0.735	S	S	*	*			trans	-63.3	103.2	160.4	-82.1	160.6	0	0	0	107.1	I435 Q439	I435-L437 PolarHBondContact O-N 3.37Å; L437-Q439 PolarHBondContact O-N 3.02Å
438	E	38.5	Very low	43.8	Very low	164 Å²	164	146.9 Å²	146.9	77%	0.766	74%	0.741	S	S	*	*			trans	-57	125.9	174.2	-66	-173.9	145.8	0	0	108.9	Q436 E440	Q436-E438 PolarHBondContact O-N 3.42Å; E438-E440 PolarHBondContact O-N 2.74Å
439	Q	35.1	Very low	43.2	Very low	198 Å²	198	150.7 Å²	150.7	93%	0.925	75%	0.752	S	S	*	*			trans	-76.6	74.4	177.9	-68.6	-177.4	-42.1	0	0	109.1	L437 D441	L437-Q439 PolarHBondContact O-N 3.02Å; Q439-D441 PolarHBondContact O-N 3.26Å; Q439-D441 VanDerWaalsContact O-N 3.12Å
440	E	38.9	Very low	43	Very low	154 Å²	154	153.3 Å²	153.3	72%	0.72	77%	0.77	S	S	*	*			trans	-67.9	103.9	170	-69.6	-166.3	141.6	0	0	110	E438	E438-E440 PolarHBondContact O-N 2.74Å
441	D	41	Very low	42.9	Very low	157 Å²	157	153.7 Å²	153.7	84%	0.84	78%	0.78	S	S	*	*			trans	20.2	96.3	164.5	-71.3	-39.4	0	0	0	117.3	Q439 N443	Q439-D441 PolarHBondContact O-N 3.26Å; Q439-D441 VanDerWaalsContact O-N 3.12Å; D441-N443 VanDerWaalsContact C-N 3.31Å; D441-N443 PolarHBondContact O-N 3.44Å
442	E	34.4	Very low	43.1	Very low	189 Å²	189	155.8 Å²	155.8	88%	0.883	79%	0.785	S	S	*	*			trans	-65.3	86.8	164.8	-72.8	-152.8	149.6	0	0	111.5
443	N	39.4	Very low	43.4	Very low	146 Å²	146	153.2 Å²	153.2	78%	0.781	76%	0.762	S	S	*	*	S	Bend	trans	-162.5	125.1	149.9	-89.9	-57.4	0	0	0	110.4	D441	D441-N443 VanDerWaalsContact C-N 3.31Å; D441-N443 PolarHBondContact O-N 3.44Å
444	N	40.2	Very low	44	Very low	165 Å²	165	153.4 Å²	153.4	88%	0.882	77%	0.765	S	S	*	*	S	Bend	trans	75.9	34.2	169.4	-55.6	-31.2	0	0	0	120
445	R	38.5	Very low	45.1	Very low	227 Å²	227	150.9 Å²	150.9	86%	0.857	76%	0.76	S	S	*	*			trans	-110.4	107.6	162.4	-145.9	169.9	-171.2	169.7	1.5	111.1	K447	R445-K447 PolarHBondContact O-N 2.86Å
446	S	43.9	Very low	46.3	Very low	108 Å²	108	145.5 Å²	145.5	76%	0.755	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-58.5	134.1	174	42.4	0	0	0	0	110.2
447	K	44	Very low	47.8	Very low	195 Å²	195	148.6 Å²	148.6	85%	0.848	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-57.4	124.1	174	-156.6	175.5	-170.8	-180	0	107.9	R445 E449	R445-K447 PolarHBondContact O-N 2.86Å; K447-E449 PolarHBondContact O-N 2.98Å; K447-E449 VanDerWaalsContact O-N 3.14Å
448	P	44	Very low	48.9	Very low	119 Å²	119	146.6 Å²	146.6	77%	0.773	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-65.5	118.6	176.5	26.4	-32	0	0	0	108.1
449	E	45.4	Very low	50.2	Low	178 Å²	178	142.3 Å²	142.3	83%	0.832	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-60.6	144.6	164.9	-78.7	-172.6	129.7	0	0	108.8	K447 S451	K447-E449 PolarHBondContact O-N 2.98Å; K447-E449 VanDerWaalsContact O-N 3.14Å; E449-S451 PolarHBondContact O-N 2.78Å
450	P	50.6	Low	51.9	Low	118 Å²	118	138 Å²	138	77%	0.766	70%	0.703	S	S	*	*			trans	-61.6	111.7	173.9	26.5	-32.9	0	0	0	108.4	Y452	P450-Y452 PolarHBondContact O-N 3.23Å
451	S	54.4	Low	53.5	Low	100 Å²	100	136 Å²	136	70%	0.699	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-64.7	123.3	176.2	46.8	0	0	0	0	109.4	E449	E449-S451 PolarHBondContact O-N 2.78Å
452	Y	60.2	Low	55.4	Low	198 Å²	198	129.6 Å²	129.6	78%	0.776	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-50.1	143.1	169.7	-69.2	-85.5	0	0	0	109.7	P450 E454	P450-Y452 PolarHBondContact O-N 3.23Å; Y452-E454 PolarHBondContact O-N 2.82Å; Y452-E454 VanDerWaalsContact O-N 3.12Å
453	P	58.7	Low	57.5	Low	26 Å²	26	125 Å²	125	17%	0.169	66%	0.656	C	S	.	*	P	Polyproline II helix	trans	-55	121.7	175.3	21.7	-30.9	0	0	0	110.2	W698	P453-W698 HydrophobicContact CB-CE3 3.85Å; P453-W698 HydrophobicContact CB-CZ3 3.92Å; P453-W698 HydrophobicContact CG-CE3 3.99Å; P453-W698 HydrophobicContact CG-CZ3 3.91Å
454	E	62	Low	59.5	Low	175 Å²	175	120.5 Å²	120.5	82%	0.818	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-64.4	129.6	166.5	-169.9	177	-179.7	0	0	107.6	Y452	Y452-E454 PolarHBondContact O-N 2.82Å; Y452-E454 VanDerWaalsContact O-N 3.12Å
455	P	63.7	Low	61.5	Low	78 Å²	78	113.4 Å²	113.4	51%	0.506	59%	0.593	S	S	.	*	P	Polyproline II helix	trans	-56.9	139.2	-177.6	19.7	-31.7	0	0	0	111	R457 W698	P455-R457 PolarHBondContact O-N 2.9Å; P455-W698 VanDerWaalsContact CA-CH2 3.48Å; P455-W698 HydrophobicContact CB-CH2 3.53Å; P455-W698 HydrophobicContact CB-CZ2 3.76Å; P455-W698 HydrophobicContact CB-CZ3 4.29Å
456	P	66.7	Low	63.6	Low	39 Å²	39	107.9 Å²	107.9	25%	0.253	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-55.7	135.5	171.3	25.4	-32.5	0	0	0	108.6	P458 K697 W698	P456-P458 VanDerWaalsContact O-N 3.16Å; P456-K697 HydrophobicContact CB-CB 4.17Å; P456-K697 HydrophobicContact CG-CB 4.26Å; P456-W698 HydrophobicContact CG-CD2 4.31Å; P456-W698 HydrophobicContact CG-CG 4.29Å
457	R	66.1	Low	65.5	Low	230 Å²	230	107.6 Å²	107.6	87%	0.868	57%	0.569	S	S	*	*			trans	-44.8	125.3	-176.6	173.9	-179.8	-77.5	-178.5	-3.9	109.4	P455 E459	P455-R457 PolarHBondContact O-N 2.9Å; R457-E459 PolarHBondContact O-N 2.93Å; R457-E459 VanDerWaalsContact O-N 3.08Å
458	P	60.4	Low	67.4	Low	115 Å²	115	102.3 Å²	102.3	75%	0.747	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-52.5	120.9	179.4	-28.4	34.9	0	0	0	110.7	P456	P456-P458 VanDerWaalsContact O-N 3.16Å
459	E	67	Low	69.5	Low	73 Å²	73	97.4 Å²	97.4	34%	0.341	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-60.7	144.5	164	-68.8	169.9	168.1	0	0	107.8	R457 P461 K697 N720	R457-E459 PolarHBondContact O-N 2.93Å; R457-E459 VanDerWaalsContact O-N 3.08Å; E459-P461 VanDerWaalsContact O-N 3.12Å; E459-K697 IonicContact OE1-NZ 3.63Å; E459-K697 PolarHBondContact OE1-NZ 3.02Å; E459-N720 WeakPolarHBondContact OE2-CB 3.39Å; E459-N720 PolarHBondContact OE2-ND2 2.92Å
460	T	71.3	Confident	71.3	Confident	107 Å²	107	91.3 Å²	91.3	66%	0.656	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-47.1	123.8	177.1	-56.8	0	0	0	0	108.9	D462 R761	T460-D462 PolarHBondContact O-N 3.19Å; T460-R761 PolarHBondContact O-NH1 2.9Å; T460-R761 PolarHBondContact O-NH2 2.72Å
461	P	71.9	Confident	72.7	Confident	114 Å²	114	89.9 Å²	89.9	74%	0.74	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-49.5	138.4	-171.6	-31.5	35.8	0	0	0	112.5	E459 R761	E459-P461 VanDerWaalsContact O-N 3.12Å; P461-R761 PolarHBondContact O-NH2 3.33Å
462	D	80.1	Confident	73.6	Confident	21 Å²	21	93.7 Å²	93.7	11%	0.112	49%	0.488	C	S	.	.			trans	-116.1	97.8	-172.2	-159.8	28.5	0	0	0	110.5	T460 E464 L465 S759 R761	T460-D462 PolarHBondContact O-N 3.19Å; D462-E464 PolarHBondContact O-N 2.81Å; D462-E464 VanDerWaalsContact O-N 3.12Å; D462-L465 HydrophobicContact CB-CD1 3.85Å; D462-L465 HydrophobicContact CB-CG 3.95Å; D462-L465 VanDerWaalsContact O-CB 3.25Å; D462-L465 WeakPolarHBondContact O-CB 3.42Å; D462-L465 PolarHBondContact O-N 2.83Å; D462-S759 VanDerWaalsContact OD2-CB 3.28Å; D462-S759 WeakPolarHBondContact OD2-CB 3.32Å; D462-S759 PolarHBondContact OD2-OG 3Å; D462-R761 VanDerWaalsContact CB-NH2 3.32Å; D462-R761 VanDerWaalsContact CG-NE 3.3Å; D462-R761 VanDerWaalsContact CG-NH2 3.32Å; D462-R761 IonicContact OD1-CZ 2.92Å; D462-R761 IonicContact OD1-NE 2.72Å; D462-R761 PolarHBondContact OD1-NE 3.44Å; D462-R761 IonicContact OD1-NH2 2.75Å; D462-R761 PolarHBondContact OD1-NH2 3.23Å; D462-R761 IonicContact OD2-NE 2.76Å
463	P	80	Confident	74.2	Confident	92 Å²	92	85.5 Å²	85.5	60%	0.597	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-64.6	-21.8	-170.7	26.7	-35	0	0	0	112.5	L465 D466	P463-L465 PolarHBondContact O-N 2.66Å; P463-D466 PolarHBondContact O-N 3.03Å
464	E	79.6	Confident	74.7	Confident	53 Å²	53	87.2 Å²	87.2	25%	0.248	47%	0.466	C	S	.	.	G	3₁₀ helix	trans	-59	-27.7	170.9	-65.9	-168.2	146	0	0	112.4	D462 D466 R757	D462-E464 PolarHBondContact O-N 2.81Å; D462-E464 VanDerWaalsContact O-N 3.12Å; E464-D466 VanDerWaalsContact C-N 3.29Å; E464-R757 PolarHBondContact O-NH1 2.84Å; E464-R757 PolarHBondContact O-NH2 2.92Å
465	L	83.1	Confident	74.9	Confident	16 Å²	16	81.2 Å²	81.2	8%	0.084	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-73.8	-17.6	175.1	-59.8	177.5	0	0	0	113.3	D462 P463 Q722 K723 R757	D462-L465 HydrophobicContact CB-CD1 3.85Å; D462-L465 HydrophobicContact CB-CG 3.95Å; D462-L465 VanDerWaalsContact O-CB 3.25Å; D462-L465 WeakPolarHBondContact O-CB 3.42Å; D462-L465 PolarHBondContact O-N 2.83Å; P463-L465 PolarHBondContact O-N 2.66Å; L465-Q722 HydrophobicContact CD1-CB 4.07Å; L465-Q722 HydrophobicContact CD1-CG 3.87Å; L465-K723 PolarHBondContact O-NZ 3.41Å; L465-R757 HydrophobicContact CD2-CB 3.94Å
466	D	82.6	Confident	75	Confident	111 Å²	111	84.9 Å²	84.9	59%	0.594	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-24.8	177.4	-72.2	-44.3	0	0	0	114	P463 E464 P468 K723	P463-D466 PolarHBondContact O-N 3.03Å; E464-D466 VanDerWaalsContact C-N 3.29Å; D466-P468 WeakPolarHBondContact O-CD 3.35Å; D466-K723 IonicContact OD1-NZ 2.82Å; D466-K723 PolarHBondContact OD1-NZ 3.02Å
467	I	84.1	Confident	75.6	Confident	101 Å²	101	86.3 Å²	86.3	52%	0.518	46%	0.457	S	S	.	.	S	Bend	trans	-69	127.2	173.9	-52.9	174.6	0	0	0	109.7	R757	I467-R757 PolarHBondContact O-NH1 3.39Å
468	P	84.6	Confident	76.5	Confident	84 Å²	84	77.8 Å²	77.8	55%	0.545	43%	0.43	S	S	.	.			trans	-56.9	138.3	171.9	-28.2	37.5	0	0	0	112.3	D466 H470	D466-P468 WeakPolarHBondContact O-CD 3.35Å; P468-H470 VanDerWaalsContact C-N 3.34Å; P468-H470 WeakPolarHBondContact CB-O 3.46Å; P468-H470 PolarHBondContact O-N 2.95Å
469	F	87.1	Confident	77.9	Confident	17 Å²	17	73.4 Å²	73.4	8%	0.075	40%	0.399	C	S	.	.	S	Bend	trans	-63.6	-41.1	-177.8	-175.9	-98.3	0	0	0	111.9	E658 E660 K673 R675	F469-E658 HydrophobicContact CE1-CB 4.11Å; F469-E658 WeakPolarHBondContact CE2-O 3.41Å; F469-E658 HydrophobicContact CZ-CB 3.75Å; F469-E658 VanDerWaalsContact CZ-O 3.29Å; F469-E658 WeakPolarHBondContact CZ-O 3.37Å; F469-E660 HydrophobicContact CE2-CG 4.4Å; F469-E660 HydrophobicContact CZ-CG 3.98Å; F469-K673 HydrophobicContact CD2-CB 4.36Å; F469-K673 HydrophobicContact CD2-CD 4.07Å; F469-K673 HydrophobicContact CD2-CG 3.98Å; F469-K673 HydrophobicContact CE2-CD 4.42Å; F469-K673 HydrophobicContact CE2-CG 4Å; F469-K673 WeakPolarHBondContact O-CE 3.45Å; F469-K673 PolarHBondContact O-NZ 3.14Å; F469-R675 HydrophobicContact CB-CB 4.34Å; F469-R675 HydrophobicContact CD1-CB 3.92Å; F469-R675 HydrophobicContact CD2-CB 3.65Å; F469-R675 HydrophobicContact CE1-CB 4.1Å; F469-R675 HydrophobicContact CE2-CB 3.85Å; F469-R675 HydrophobicContact CG-CB 3.69Å; F469-R675 HydrophobicContact CG-CG 4.5Å; F469-R675 HydrophobicContact CZ-CB 4.07Å
470	H	84.2	Confident	79	Confident	49 Å²	49	73.6 Å²	73.6	23%	0.227	40%	0.397	C	S	.	.	S	Bend	trans	-108.3	146.2	164.5	-69.4	-57	0	0	0	109.2	P468 P627 R675	P468-H470 VanDerWaalsContact C-N 3.34Å; P468-H470 WeakPolarHBondContact CB-O 3.46Å; P468-H470 PolarHBondContact O-N 2.95Å; H470-P627 HydrophobicContact CB-CB 4.49Å; H470-R675 PolarHBondContact NE2-NH2 3.44Å
471	P	79.9	Confident	80.1	Confident	88 Å²	88	68.5 Å²	68.5	57%	0.571	37%	0.366	S	S	*	.			trans	-58.4	147.9	173.1	27.2	-35	0	0	0	110.2	V473	P471-V473 PolarHBondContact O-N 2.65Å
472	F	72.3	Confident	81	Confident	181 Å²	181	66.1 Å²	66.1	79%	0.794	34%	0.342	S	S	*	.			trans	-60.9	135	175.9	-177.8	-94.9	0	0	0	110.3	N474	F472-N474 HydrophobicContact CE1-CB 4.4Å
473	V	72	Confident	81.7	Confident	25 Å²	25	65.1 Å²	65.1	15%	0.152	34%	0.337	C	S	.	.			trans	-123	127.2	176.7	174.4	0	0	0	0	107.2	P471 T475 W479 V628	P471-V473 PolarHBondContact O-N 2.65Å; V473-T475 PolarHBondContact O-N 2.68Å; V473-W479 HydrophobicContact CG1-CH2 4.26Å; V473-W479 HydrophobicContact CG1-CZ2 3.52Å; V473-V628 HydrophobicContact CB-CG2 3.9Å; V473-V628 HydrophobicContact CG1-CG2 3.67Å; V473-V628 HydrophobicContact CG2-CG2 4.36Å
474	N	69.4	Low	82.2	Confident	62 Å²	62	62.8 Å²	62.8	33%	0.332	32%	0.316	S	S	.	.			trans	-68.7	130	177.1	-173.9	4.9	0	0	0	108.6	F472 E476 D477	F472-N474 HydrophobicContact CE1-CB 4.4Å; N474-E476 PolarHBondContact O-N 3.12Å; N474-E476 PolarHBondContact OD1-N 3.42Å; N474-D477 PolarHBondContact N-OD2 2.83Å; N474-D477 WeakPolarHBondContact O-CB 3.42Å; N474-D477 PolarHBondContact O-N 2.92Å; N474-D477 VanDerWaalsContact O-N 3.16Å
475	T	66.8	Low	82.5	Confident	49 Å²	49	64.9 Å²	64.9	30%	0.301	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-21.5	-179.7	-64.1	0	0	0	0	111.7	V473 D477 L511	V473-T475 PolarHBondContact O-N 2.68Å; T475-D477 VanDerWaalsContact C-N 3.3Å; T475-L511 HydrophobicContact CG2-CB 4.05Å; T475-L511 HydrophobicContact CG2-CD2 4.08Å; T475-L511 HydrophobicContact CG2-CG 4.31Å
476	E	66	Low	82.6	Confident	155 Å²	155	65.6 Å²	65.6	72%	0.724	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-11.3	176	-56.2	-179.9	156.2	0	0	113.8	N474 T478	N474-E476 PolarHBondContact O-N 3.12Å; N474-E476 PolarHBondContact OD1-N 3.42Å; E476-T478 PolarHBondContact O-N 2.77Å
477	D	79.3	Confident	82.6	Confident	69 Å²	69	62.4 Å²	62.4	37%	0.369	31%	0.309	S	S	.	.			trans	-60.4	136.3	-178.1	-72.3	-22.3	0	0	0	111.4	N474 T475 W479	N474-D477 PolarHBondContact N-OD2 2.83Å; N474-D477 WeakPolarHBondContact O-CB 3.42Å; N474-D477 PolarHBondContact O-N 2.92Å; N474-D477 VanDerWaalsContact O-N 3.16Å; T475-D477 VanDerWaalsContact C-N 3.3Å; D477-W479 HydrophobicContact CB-CZ2 4.31Å; D477-W479 PolarHBondContact O-NE1 2.91Å
478	T	85.4	Confident	82.3	Confident	51 Å²	51	65.4 Å²	65.4	31%	0.313	32%	0.318	S	S	.	.			trans	-96.5	119	179	-53.3	0	0	0	0	111.5	E476 A508 R510 I532	E476-T478 PolarHBondContact O-N 2.77Å; T478-A508 HydrophobicContact CG2-CB 3.68Å; T478-R510 HydrophobicContact CG2-CG 3.83Å; T478-R510 WeakPolarHBondContact OG1-CG 3.34Å; T478-R510 PolarHBondContact OG1-NE 3.4Å; T478-I532 HydrophobicContact CG2-CD1 3.77Å
479	W	89	Confident	81.6	Confident	23 Å²	23	66.3 Å²	66.3	9%	0.087	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	106.9	-173.9	-61	78.7	0	0	0	111.1	V473 D477 L481 V509 R621 R624 L625	V473-W479 HydrophobicContact CG1-CH2 4.26Å; V473-W479 HydrophobicContact CG1-CZ2 3.52Å; D477-W479 HydrophobicContact CB-CZ2 4.31Å; D477-W479 PolarHBondContact O-NE1 2.91Å; W479-L481 HydrophobicContact CB-CD1 4.49Å; W479-L481 HydrophobicContact CB-CG 4.38Å; W479-L481 PolarHBondContact O-N 2.78Å; W479-V509 HydrophobicContact CB-CB 4.31Å; W479-V509 PolarHBondContact N-O 3.03Å; W479-V509 PolarHBondContact O-N 3.15Å; W479-R621 HydrophobicContact CE3-CG 3.67Å; W479-R621 HydrophobicContact CZ3-CG 3.88Å; W479-R621 WeakPolarHBondContact CZ3-O 3.13Å; W479-R624 HydrophobicContact CH2-CB 3.77Å; W479-R624 HydrophobicContact CZ3-CB 4.06Å; W479-L625 HydrophobicContact CB-CD2 4.24Å; W479-L625 HydrophobicContact CD2-CB 4.16Å; W479-L625 HydrophobicContact CD2-CD1 3.86Å; W479-L625 HydrophobicContact CD2-CD2 4.32Å; W479-L625 HydrophobicContact CD2-CG 4.33Å; W479-L625 HydrophobicContact CE3-CB 3.83Å; W479-L625 HydrophobicContact CE3-CD1 4.4Å; W479-L625 HydrophobicContact CE3-CD2 4.34Å; W479-L625 HydrophobicContact CE3-CG 4.41Å; W479-L625 HydrophobicContact CG-CD1 3.87Å; W479-L625 HydrophobicContact CG-CD2 4.23Å; W479-L625 HydrophobicContact CZ3-CB 4.04Å
480	R	91.1	Very high	80.4	Confident	77 Å²	77	68.7 Å²	68.7	29%	0.291	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	117.8	169.4	-68.9	-173.9	178.7	-146.8	3.6	110.3	I525 D530 R621	R480-I525 HydrophobicContact CG-CD1 4.19Å; R480-D530 IonicContact CZ-OD1 3.61Å; R480-D530 IonicContact NH1-OD1 3.95Å; R480-D530 PolarHBondContact NH1-OD1 2.82Å; R480-D530 PolarHBondContact NH2-O 2.71Å; R480-D530 IonicContact NH2-OD1 2.67Å; R480-D530 PolarHBondContact NH2-OD1 2.93Å; R480-R621 WeakPolarHBondContact O-CD 3.4Å; R480-R621 PolarHBondContact O-NH1 3.19Å
481	L	92.8	Very high	79.1	Confident	1 Å²	1	76.7 Å²	76.7	1%	0.005	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	163.9	-177.6	-62	174.7	0	0	0	110.7	W479 E506 V507 V509 F614 R621 L625	W479-L481 HydrophobicContact CB-CD1 4.49Å; W479-L481 HydrophobicContact CB-CG 4.38Å; W479-L481 PolarHBondContact O-N 2.78Å; L481-E506 CarbonylContact O-C 3.59Å; L481-E506 WeakPolarHBondContact O-CA 3.48Å; L481-V507 PolarHBondContact N-O 2.98Å; L481-V507 PolarHBondContact O-N 3.11Å; L481-V507 VanDerWaalsContact O-O 3.08Å; L481-V509 HydrophobicContact CD1-CB 4.43Å; L481-V509 HydrophobicContact CD1-CG2 3.82Å; L481-V509 HydrophobicContact CG-CG2 4.45Å; L481-F614 HydrophobicContact CB-CD1 4.41Å; L481-F614 HydrophobicContact CD1-CB 4.27Å; L481-F614 HydrophobicContact CD1-CD1 3.89Å; L481-F614 HydrophobicContact CD1-CE1 4.43Å; L481-F614 HydrophobicContact CD1-CG 4.16Å; L481-R621 HydrophobicContact CD2-CG 4.29Å; L481-L625 HydrophobicContact CD1-CD2 3.44Å; L481-L625 VanDerWaalsContact CD1-CD2 3.44Å; L481-L625 HydrophobicContact CD2-CD2 4.39Å; L481-L625 HydrophobicContact CG-CD2 4.38Å
482	W	92	Very high	77.8	Confident	63 Å²	63	77.1 Å²	77.1	24%	0.239	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	129.1	170.8	-63.1	82.3	0	0	0	110.4	W504 R505 E506 Y556 L562 F614 G615	W482-W504 HydrophobicContact CB-CB 4.49Å; W482-W504 HydrophobicContact CB-CE3 3.93Å; W482-W504 HydrophobicContact CE3-CB 3.86Å; W482-R505 CarbonylContact C-O 3.58Å; W482-R505 WeakPolarHBondContact CA-O 3.38Å; W482-E506 HydrophobicContact CE3-CB 4.46Å; W482-Y556 HydrophobicContact CD2-CE2 4.4Å; W482-Y556 HydrophobicContact CE3-CE2 4.2Å; W482-Y556 WeakPolarHBondContact CH2-OH 3.33Å; W482-Y556 HydrophobicContact CZ3-CE2 4.45Å; W482-Y556 WeakPolarHBondContact CZ3-OH 3.45Å; W482-L562 HydrophobicContact CB-CD2 4.1Å; W482-L562 HydrophobicContact CG-CD1 4.49Å; W482-L562 HydrophobicContact CG-CD2 4.5Å; W482-F614 CarbonylContact O-C 3.52Å; W482-F614 VanDerWaalsContact O-CA 3.25Å; W482-F614 WeakPolarHBondContact O-CA 3.39Å; W482-G615 PolarHBondContact N-O 3.45Å; W482-G615 PolarHBondContact O-N 3.08Å
483	L	93.4	Very high	76.8	Confident	1 Å²	1	74.5 Å²	74.5	1%	0.005	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	137.7	174.2	-176.5	70.9	0	0	0	110.8	Y485 W504 R505 V507 L522 Y537 L612 F614	L483-Y485 PolarHBondContact O-N 3.22Å; L483-W504 WeakPolarHBondContact O-CA 3.48Å; L483-R505 PolarHBondContact N-O 3.23Å; L483-R505 PolarHBondContact O-N 3.27Å; L483-V507 HydrophobicContact CB-CG1 3.99Å; L483-V507 HydrophobicContact CB-CG2 3.75Å; L483-V507 HydrophobicContact CD2-CG1 4.32Å; L483-L522 HydrophobicContact CD2-CD1 4.15Å; L483-Y537 WeakPolarHBondContact CD2-OH 3.39Å; L483-L612 HydrophobicContact CD1-CB 4.32Å; L483-L612 HydrophobicContact CD1-CD2 4.07Å; L483-F614 HydrophobicContact CD1-CD1 4.08Å; L483-F614 HydrophobicContact CD1-CE1 4.06Å
484	R	91	Very high	75.8	Confident	42 Å²	42	82.8 Å²	82.8	16%	0.158	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	114.3	173.6	-161.5	86.6	-177.1	92.8	-3.1	110.4	R502 Y503 W504 K613	R484-R502 VanDerWaalsContact CZ-O 3.23Å; R484-R502 PolarHBondContact NH1-O 2.93Å; R484-R502 PolarHBondContact NH2-O 2.84Å; R484-Y503 VanDerWaalsContact NH1-N 3.12Å; R484-Y503 PolarHBondContact NH1-O 3.46Å; R484-W504 HydrophobicContact CB-CE3 4.23Å; R484-W504 HydrophobicContact CB-CH2 4.41Å; R484-W504 HydrophobicContact CB-CZ3 4.05Å; R484-K613 HydrophobicContact CB-CB 3.92Å; R484-K613 HydrophobicContact CB-CD 4.08Å; R484-K613 HydrophobicContact CB-CG 4.06Å; R484-K613 HydrophobicContact CG-CD 4.22Å; R484-K613 PolarHBondContact N-O 2.85Å
485	Y	86.4	Confident	74.9	Confident	98 Å²	98	87.3 Å²	87.3	38%	0.384	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	140.5	-176	-171	-92.8	0	0	0	112.8	L483 R502 Y503	L483-Y485 PolarHBondContact O-N 3.22Å; Y485-R502 CarbonylContact O-C 3.58Å; Y485-R502 VanDerWaalsContact O-CA 3.23Å; Y485-R502 WeakPolarHBondContact O-CA 3.22Å; Y485-Y503 AromaticContact CD1-CE1 3.88Å; Y485-Y503 HydrophobicContact CD1-CE1 3.88Å; Y485-Y503 HydrophobicContact CD1-CE2 4.32Å; Y485-Y503 AromaticContact CD1-CZ 3.61Å; Y485-Y503 WeakPolarHBondContact CD1-OH 3.39Å; Y485-Y503 PolarHBondContact N-O 3.25Å; Y485-Y503 PolarHBondContact O-N 3.16Å
486	P	85	Confident	74.1	Confident	31 Å²	31	88 Å²	88	20%	0.201	41%	0.413	C	S	.	.	S	Bend	cis	-63.5	151.4	-17.2	28.8	-35.8	0	0	0	110.9	R502	P486-R502 HydrophobicContact CG-CG 4.25Å; P486-R502 WeakPolarHBondContact O-CD 3.19Å; P486-R502 VanDerWaalsContact O-CG 3.29Å; P486-R502 WeakPolarHBondContact O-CG 3.37Å
487	E	82.1	Confident	73.4	Confident	43 Å²	43	90.4 Å²	90.4	20%	0.201	42%	0.422	C	S	.	.	S	Bend	trans	-59.6	-53.3	-174.3	-66.5	161.9	-173.8	0	0	111.8	R502 R538 L612	E487-R502 PolarHBondContact O-NH1 2.71Å; E487-R538 VanDerWaalsContact CD-CZ 3.45Å; E487-R538 VanDerWaalsContact CD-NH2 3.32Å; E487-R538 IonicContact OE1-CZ 2.68Å; E487-R538 IonicContact OE1-NE 2.78Å; E487-R538 IonicContact OE1-NH1 3.95Å; E487-R538 PolarHBondContact OE1-NH1 2.62Å; E487-R538 IonicContact OE1-NH2 3.94Å; E487-R538 PolarHBondContact OE1-NH2 2.72Å; E487-R538 IonicContact OE2-CZ 3.84Å; E487-R538 IonicContact OE2-NH1 3.21Å; E487-R538 PolarHBondContact OE2-NH1 2.71Å; E487-R538 IonicContact OE2-NH2 2.62Å; E487-R538 PolarHBondContact OE2-NH2 2.96Å; E487-L612 WeakPolarHBondContact OE1-CD2 3.09Å
488	K	77.4	Confident	72.1	Confident	164 Å²	164	96.3 Å²	96.3	71%	0.713	44%	0.44	S	S	*	.	S	Bend	trans	-89.3	128.4	177.6	-65.8	179.5	-178.5	173.9	0	109.9	T490	K488-T490 PolarHBondContact O-N 2.86Å; K488-T490 VanDerWaalsContact O-N 3.09Å
489	K	71.2	Confident	70.6	Confident	103 Å²	103	97 Å²	97	45%	0.448	44%	0.444	S	S	.	.			trans	-65.5	107.5	169.4	-171.9	174.1	-173.6	172.1	0	108.2	R491	K489-R491 PolarHBondContact O-N 3.05Å
490	T	61.1	Low	69.2	Low	68 Å²	68	100 Å²	100	42%	0.417	47%	0.465	S	S	.	.			trans	-65.4	95.5	-178.7	45.7	0	0	0	0	110.6	K488 V492	K488-T490 PolarHBondContact O-N 2.86Å; K488-T490 VanDerWaalsContact O-N 3.09Å; T490-V492 PolarHBondContact O-N 3.42Å
491	R	57.4	Low	68.3	Low	217 Å²	217	102.6 Å²	102.6	82%	0.819	49%	0.485	S	S	*	.			trans	-74.4	62.5	174	-66.7	-168.3	-176.1	-159.9	1.7	111.3	K489 K493	K489-R491 PolarHBondContact O-N 3.05Å; R491-K493 PolarHBondContact O-N 3.24Å
492	V	53.6	Low	67.7	Low	97 Å²	97	105 Å²	105	59%	0.588	49%	0.494	S	S	*	.			trans	-71.9	81.8	166.9	-176.5	0	0	0	0	107.9	T490 Q494	T490-V492 PolarHBondContact O-N 3.42Å; V492-Q494 PolarHBondContact O-N 3.4Å
493	K	49.3	Very low	67.5	Low	125 Å²	125	108 Å²	108	54%	0.543	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	130.1	173.6	-74.6	-178.9	171.1	-179.4	0	108.6	T274 R491	T274-K493 PolarHBondContact OG1-NZ 3.27Å; R491-K493 PolarHBondContact O-N 3.24Å
494	Q	51.8	Low	67.4	Low	199 Å²	199	109.1 Å²	109.1	93%	0.93	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.6	-16.7	163.6	-52.1	-167	-74.6	0	0	121.7	V492	V492-Q494 PolarHBondContact O-N 3.4Å
495	I	50.6	Low	67.3	Low	158 Å²	158	110 Å²	110	81%	0.81	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.9	-24.9	-171.5	-62.6	-179.6	0	0	0	116.1
496	S	49.2	Very low	67.6	Low	62 Å²	62	108.5 Å²	108.5	43%	0.434	51%	0.51	S	S	.	.			trans	-121.9	131.4	170.3	60.3	0	0	0	0	111.9	Y498	S496-Y498 PolarHBondContact O-N 2.79Å; S496-Y498 PolarHBondContact OG-O 2.84Å
497	K	51.4	Low	67.9	Low	207 Å²	207	107 Å²	107	90%	0.9	50%	0.5	S	S	*	.	S	Bend	trans	-68.8	-5.2	165	-75.8	-175.8	175.9	-179.8	0	112.8
498	Y	52.5	Low	68.4	Low	193 Å²	193	105 Å²	105	76%	0.757	49%	0.491	S	S	*	.			trans	-106.3	94.3	174.1	-47.8	-78.3	0	0	0	107.8	S496	S496-Y498 PolarHBondContact O-N 2.79Å; S496-Y498 PolarHBondContact OG-O 2.84Å
499	T	55	Low	69.1	Low	64 Å²	64	97.3 Å²	97.3	39%	0.393	46%	0.458	S	S	.	.			trans	-64.3	126.9	150.9	168.6	0	0	0	0	105.6	D501	T499-D501 PolarHBondContact O-N 2.86Å
500	T	59.4	Low	70	Confident	86 Å²	86	95.9 Å²	95.9	53%	0.528	45%	0.45	S	S	.	.			trans	-63.2	113.5	173.8	48.3	0	0	0	0	108	R502	T500-R502 PolarHBondContact O-N 3.31Å
501	D	71.4	Confident	71.3	Confident	132 Å²	132	93.7 Å²	93.7	71%	0.706	44%	0.435	S	S	*	.			trans	-65.1	132.6	178.1	-80.5	-41.4	0	0	0	109.7	T499	T499-D501 PolarHBondContact O-N 2.86Å
502	R	81.4	Confident	72.8	Confident	53 Å²	53	86.4 Å²	86.4	20%	0.2	41%	0.412	C	S	.	.			trans	-67.8	136.3	175.3	-62.3	-177.2	-74.8	-178.3	-2.3	107.8	R484 Y485 P486 E487 T500	R484-R502 VanDerWaalsContact CZ-O 3.23Å; R484-R502 PolarHBondContact NH1-O 2.93Å; R484-R502 PolarHBondContact NH2-O 2.84Å; Y485-R502 CarbonylContact O-C 3.58Å; Y485-R502 VanDerWaalsContact O-CA 3.23Å; Y485-R502 WeakPolarHBondContact O-CA 3.22Å; P486-R502 HydrophobicContact CG-CG 4.25Å; P486-R502 WeakPolarHBondContact O-CD 3.19Å; P486-R502 VanDerWaalsContact O-CG 3.29Å; P486-R502 WeakPolarHBondContact O-CG 3.37Å; E487-R502 PolarHBondContact O-NH1 2.71Å; T500-R502 PolarHBondContact O-N 3.31Å
503	Y	87.6	Confident	74.4	Confident	124 Å²	124	88.2 Å²	88.2	49%	0.486	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	179.3	171.1	59.9	-85.3	0	0	0	111.5	R484 Y485 R505	R484-Y503 VanDerWaalsContact NH1-N 3.12Å; R484-Y503 PolarHBondContact NH1-O 3.46Å; Y485-Y503 AromaticContact CD1-CE1 3.88Å; Y485-Y503 HydrophobicContact CD1-CE1 3.88Å; Y485-Y503 HydrophobicContact CD1-CE2 4.32Å; Y485-Y503 AromaticContact CD1-CZ 3.61Å; Y485-Y503 WeakPolarHBondContact CD1-OH 3.39Å; Y485-Y503 PolarHBondContact N-O 3.25Å; Y485-Y503 PolarHBondContact O-N 3.16Å; Y503-R505 HydrophobicContact CE2-CB 4.2Å
504	W	89.7	Confident	76	Confident	26 Å²	26	86.3 Å²	86.3	10%	0.098	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.3	173.6	-69.9	103.2	0	0	0	108.2	W482 L483 R484 Y556 L562 V564 K613	W482-W504 HydrophobicContact CB-CB 4.49Å; W482-W504 HydrophobicContact CB-CE3 3.93Å; W482-W504 HydrophobicContact CE3-CB 3.86Å; L483-W504 WeakPolarHBondContact O-CA 3.48Å; R484-W504 HydrophobicContact CB-CE3 4.23Å; R484-W504 HydrophobicContact CB-CH2 4.41Å; R484-W504 HydrophobicContact CB-CZ3 4.05Å; W504-Y556 HydrophobicContact CB-CD2 4.3Å; W504-Y556 HydrophobicContact CB-CE2 3.72Å; W504-Y556 AromaticContact CD1-CD2 3.4Å; W504-Y556 VanDerWaalsContact CD1-CD2 3.4Å; W504-Y556 AromaticContact CD1-CE2 3.67Å; W504-Y556 AromaticContact CG-CD2 3.87Å; W504-Y556 HydrophobicContact CG-CD2 3.87Å; W504-Y556 AromaticContact CG-CE2 3.81Å; W504-Y556 HydrophobicContact CG-CE2 3.81Å; W504-Y556 AromaticContact NE1-CD2 3.82Å; W504-L562 HydrophobicContact CD2-CD2 3.98Å; W504-L562 HydrophobicContact CE3-CD2 3.99Å; W504-L562 HydrophobicContact CH2-CD2 3.98Å; W504-L562 HydrophobicContact CZ2-CD2 3.96Å; W504-L562 HydrophobicContact CZ3-CD2 3.99Å; W504-V564 HydrophobicContact CH2-CB 4.49Å; W504-V564 HydrophobicContact CH2-CG1 4.1Å; W504-V564 HydrophobicContact CH2-CG2 3.54Å; W504-V564 HydrophobicContact CZ2-CG2 3.84Å; W504-K613 HydrophobicContact CH2-CD 4.44Å; W504-K613 HydrophobicContact CH2-CG 4.09Å; W504-K613 HydrophobicContact CZ3-CG 4.45Å
505	R	90.3	Very high	77.4	Confident	61 Å²	61	86.2 Å²	86.2	23%	0.23	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	132.2	179.2	-170.1	-172.8	-162.6	-158.4	6.2	108.7	W482 L483 Y503 E524	W482-R505 CarbonylContact C-O 3.58Å; W482-R505 WeakPolarHBondContact CA-O 3.38Å; L483-R505 PolarHBondContact N-O 3.23Å; L483-R505 PolarHBondContact O-N 3.27Å; Y503-R505 HydrophobicContact CE2-CB 4.2Å; R505-E524 IonicContact CZ-OE1 2.58Å; R505-E524 IonicContact CZ-OE2 2.8Å; R505-E524 IonicContact NH1-OE2 2.66Å; R505-E524 PolarHBondContact NH1-OE2 2.68Å; R505-E524 IonicContact NH2-OE1 2.81Å; R505-E524 PolarHBondContact NH2-OE1 2.89Å; R505-E524 IonicContact NH2-OE2 3.42Å; R505-E524 PolarHBondContact NH2-OE2 3.47Å
506	E	92	Very high	78.7	Confident	66 Å²	66	80.6 Å²	80.6	31%	0.308	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	136.5	171.5	-155	-173.5	170.5	0	0	110.1	L481 W482 I525	L481-E506 CarbonylContact O-C 3.59Å; L481-E506 WeakPolarHBondContact O-CA 3.48Å; W482-E506 HydrophobicContact CE3-CB 4.46Å; E506-I525 HydrophobicContact CB-CD1 4.2Å; E506-I525 HydrophobicContact CG-CD1 3.68Å
507	V	92.5	Very high	80.3	Confident	0 Å²	0	79.9 Å²	79.9	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	149.3	179.8	-61.4	0	0	0	0	109.7	L481 L483 V509 Y537	L481-V507 PolarHBondContact N-O 2.98Å; L481-V507 PolarHBondContact O-N 3.11Å; L481-V507 VanDerWaalsContact O-O 3.08Å; L483-V507 HydrophobicContact CB-CG1 3.99Å; L483-V507 HydrophobicContact CB-CG2 3.75Å; L483-V507 HydrophobicContact CD2-CG1 4.32Å; V507-V509 HydrophobicContact CG2-CG2 4.17Å; V507-Y537 HydrophobicContact CG1-CE1 4.13Å
508	A	91.8	Very high	82	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	118.9	172	0	0	0	0	0	109.4	T478 H523 I525 I532	T478-A508 HydrophobicContact CG2-CB 3.68Å; A508-H523 HydrophobicContact CB-CB 4.06Å; A508-H523 PolarHBondContact N-O 3.19Å; A508-H523 PolarHBondContact O-N 3.17Å; A508-I525 HydrophobicContact CB-CG1 4.2Å; A508-I532 HydrophobicContact CB-CB 4.39Å; A508-I532 HydrophobicContact CB-CD1 4.35Å; A508-I532 HydrophobicContact CB-CG1 3.85Å; A508-I532 HydrophobicContact CB-CG2 3.65Å
509	V	92.1	Very high	83.8	Confident	3 Å²	3	63 Å²	63	2%	0.018	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127.8	179.3	-172.7	0	0	0	0	109.7	W479 L481 V507 I520 A521 L522 F614 F629	W479-V509 HydrophobicContact CB-CB 4.31Å; W479-V509 PolarHBondContact N-O 3.03Å; W479-V509 PolarHBondContact O-N 3.15Å; L481-V509 HydrophobicContact CD1-CB 4.43Å; L481-V509 HydrophobicContact CD1-CG2 3.82Å; L481-V509 HydrophobicContact CG-CG2 4.45Å; V507-V509 HydrophobicContact CG2-CG2 4.17Å; V509-I520 HydrophobicContact CG1-CG2 3.66Å; V509-A521 WeakPolarHBondContact CA-O 3.4Å; V509-L522 HydrophobicContact CB-CD2 4.46Å; V509-L522 HydrophobicContact CG1-CD2 4.22Å; V509-L522 HydrophobicContact CG2-CD2 3.78Å; V509-F614 HydrophobicContact CG2-CD1 4.3Å; V509-F614 HydrophobicContact CG2-CE1 3.65Å; V509-F614 HydrophobicContact CG2-CZ 4.29Å; V509-F629 HydrophobicContact CG1-CZ 4.35Å
510	R	90.3	Very high	85.6	Confident	73 Å²	73	60 Å²	60	28%	0.275	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	154.7	170.2	-67.3	-177.7	-178.2	155.1	0.4	109.8	T478 A521	T478-R510 HydrophobicContact CG2-CG 3.83Å; T478-R510 WeakPolarHBondContact OG1-CG 3.34Å; T478-R510 PolarHBondContact OG1-NE 3.4Å; R510-A521 HydrophobicContact CB-CB 4.38Å; R510-A521 PolarHBondContact N-O 3.24Å; R510-A521 PolarHBondContact O-N 3.16Å
511	L	88.9	Confident	87.2	Confident	21 Å²	21	55.9 Å²	55.9	11%	0.11	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	105.2	173.5	-161.3	65.9	0	0	0	108.8	T475 K518 I520 I542 V628 A632	T475-L511 HydrophobicContact CG2-CB 4.05Å; T475-L511 HydrophobicContact CG2-CD2 4.08Å; T475-L511 HydrophobicContact CG2-CG 4.31Å; L511-K518 HydrophobicContact CD1-CB 4.12Å; L511-K518 HydrophobicContact CD2-CB 4.34Å; L511-K518 HydrophobicContact CD2-CD 3.77Å; L511-K518 HydrophobicContact CD2-CG 4.35Å; L511-K518 HydrophobicContact CG-CB 4.12Å; L511-K518 HydrophobicContact CG-CD 4.3Å; L511-K518 HydrophobicContact CG-CG 4.34Å; L511-I520 HydrophobicContact CD1-CG1 4.16Å; L511-I542 HydrophobicContact CD1-CD1 3.87Å; L511-V628 HydrophobicContact CD2-CG1 3.77Å; L511-A632 HydrophobicContact CD2-CB 4.19Å
512	I	88.3	Confident	88.2	Confident	65 Å²	65	49.6 Å²	49.6	33%	0.333	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	148.7	-179.8	-55.3	-178.4	0	0	0	108	E514 K518 V519 A521	I512-E514 HydrophobicContact CG2-CG 4.32Å; I512-K518 CarbonylContact O-C 3.58Å; I512-K518 WeakPolarHBondContact O-CA 3.48Å; I512-V519 PolarHBondContact N-O 3.3Å; I512-V519 PolarHBondContact O-N 3.37Å; I512-A521 HydrophobicContact CD1-CB 3.52Å; I512-A521 HydrophobicContact CG1-CB 3.85Å
513	E	86.2	Confident	88.6	Confident	134 Å²	134	47.2 Å²	47.2	63%	0.626	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	118.4	172.2	-166.5	170.1	157.2	0	0	110.5
514	E	84.1	Confident	88.7	Confident	85 Å²	85	44.5 Å²	44.5	40%	0.397	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	124.2	177.2	-63.1	-178.9	177.1	0	0	108.9	I512 G516 R517 V519	I512-E514 HydrophobicContact CG2-CG 4.32Å; E514-G516 VanDerWaalsContact C-N 3.26Å; E514-G516 PolarHBondContact O-N 2.95Å; E514-R517 PolarHBondContact N-O 3.13Å; E514-R517 PolarHBondContact O-N 3.18Å; E514-V519 HydrophobicContact CB-CG2 3.83Å; E514-V519 HydrophobicContact CG-CB 4.42Å; E514-V519 HydrophobicContact CG-CG2 3.95Å
515	H	80.8	Confident	88.6	Confident	197 Å²	197	44.3 Å²	44.3	91%	0.912	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	37.6	177.8	-55.7	-73.5	0	0	0	114.8	R517	H515-R517 PolarHBondContact O-N 3.29Å
516	G	77.3	Confident	88.2	Confident	40 Å²	40	45.1 Å²	45.1	41%	0.412	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	16.9	-178.2	0	0	0	0	0	114.2	E514 P637	E514-G516 VanDerWaalsContact C-N 3.26Å; E514-G516 PolarHBondContact O-N 2.95Å; G516-P637 WeakPolarHBondContact O-CG 3.25Å
517	R	82.5	Confident	87.4	Confident	48 Å²	48	49.1 Å²	49.1	18%	0.181	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	141.5	171.3	-64.4	-170.3	-178.2	-167.5	1.9	109.6	E514 H515 E543 P637 H639	E514-R517 PolarHBondContact N-O 3.13Å; E514-R517 PolarHBondContact O-N 3.18Å; H515-R517 PolarHBondContact O-N 3.29Å; R517-E543 IonicContact NH1-OE1 2.84Å; R517-E543 IonicContact NH1-OE2 3.75Å; R517-E543 PolarHBondContact NH1-OE2 3.4Å; R517-P637 HydrophobicContact CG-CG 4.29Å; R517-H639 PolarHBondContact NH2-CE1 2.97Å; R517-H639 PolarHBondContact NH2-ND1 2.88Å
518	K	87.9	Confident	86.4	Confident	44 Å²	44	57.2 Å²	57.2	19%	0.191	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	137.1	174.7	-75.1	177	161.4	-159.6	0	110.7	L511 I512 I542 A632	L511-K518 HydrophobicContact CD1-CB 4.12Å; L511-K518 HydrophobicContact CD2-CB 4.34Å; L511-K518 HydrophobicContact CD2-CD 3.77Å; L511-K518 HydrophobicContact CD2-CG 4.35Å; L511-K518 HydrophobicContact CG-CB 4.12Å; L511-K518 HydrophobicContact CG-CD 4.3Å; L511-K518 HydrophobicContact CG-CG 4.34Å; I512-K518 CarbonylContact O-C 3.58Å; I512-K518 WeakPolarHBondContact O-CA 3.48Å; K518-I542 HydrophobicContact CB-CD1 4.1Å; K518-I542 WeakPolarHBondContact O-CB 3.4Å; K518-I542 WeakPolarHBondContact O-CG1 3.39Å; K518-I542 PolarHBondContact O-N 3.36Å; K518-I542 VanDerWaalsContact O-N 3.11Å; K518-A632 HydrophobicContact CB-CB 3.98Å; K518-A632 HydrophobicContact CD-CB 3.56Å; K518-A632 HydrophobicContact CG-CB 4.38Å
519	V	91.3	Very high	85.8	Confident	2 Å²	2	60.6 Å²	60.6	1%	0.012	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	127.3	-174.9	179.8	0	0	0	0	108.9	I512 E514 A521 T539 R541	I512-V519 PolarHBondContact N-O 3.3Å; I512-V519 PolarHBondContact O-N 3.37Å; E514-V519 HydrophobicContact CB-CG2 3.83Å; E514-V519 HydrophobicContact CG-CB 4.42Å; E514-V519 HydrophobicContact CG-CG2 3.95Å; V519-A521 PolarHBondContact O-N 3.3Å; V519-T539 HydrophobicContact CG1-CG2 4.17Å; V519-R541 HydrophobicContact CG2-CB 4.35Å; V519-R541 HydrophobicContact CG2-CG 4.24Å
520	I	92.4	Very high	85.1	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	106.1	178.5	-46.7	179.1	0	0	0	107.7	V509 L511 L522 T539 V540 I542 L567 F614 F629	V509-I520 HydrophobicContact CG1-CG2 3.66Å; L511-I520 HydrophobicContact CD1-CG1 4.16Å; I520-L522 HydrophobicContact CG2-CD2 4.14Å; I520-T539 CarbonylContact O-C 3.59Å; I520-T539 WeakPolarHBondContact O-CA 3.46Å; I520-V540 HydrophobicContact CB-CB 4.34Å; I520-V540 PolarHBondContact N-O 2.8Å; I520-V540 PolarHBondContact O-N 2.89Å; I520-I542 HydrophobicContact CD1-CD1 4.24Å; I520-I542 HydrophobicContact CD1-CG1 4.02Å; I520-I542 HydrophobicContact CG1-CD1 3.88Å; I520-I542 HydrophobicContact CG1-CG1 3.78Å; I520-L567 HydrophobicContact CD1-CD2 3.52Å; I520-F614 HydrophobicContact CG2-CZ 4.47Å; I520-F629 HydrophobicContact CD1-CD1 4.02Å; I520-F629 HydrophobicContact CD1-CE1 3.53Å; I520-F629 HydrophobicContact CD1-CZ 4.37Å; I520-F629 HydrophobicContact CG1-CD1 4.41Å; I520-F629 HydrophobicContact CG1-CE1 3.79Å; I520-F629 HydrophobicContact CG2-CE1 4.12Å; I520-F629 HydrophobicContact CG2-CZ 4.39Å
521	A	91.8	Very high	84.8	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	122.1	177.5	0	0	0	0	0	110	V509 R510 I512 V519 P536 T539	V509-A521 WeakPolarHBondContact CA-O 3.4Å; R510-A521 HydrophobicContact CB-CB 4.38Å; R510-A521 PolarHBondContact N-O 3.24Å; R510-A521 PolarHBondContact O-N 3.16Å; I512-A521 HydrophobicContact CD1-CB 3.52Å; I512-A521 HydrophobicContact CG1-CB 3.85Å; V519-A521 PolarHBondContact O-N 3.3Å; A521-P536 HydrophobicContact CB-CB 4.02Å; A521-P536 HydrophobicContact CB-CG 4.38Å; A521-T539 HydrophobicContact CB-CG2 4.4Å
522	L	92.5	Very high	84.5	Confident	0 Å²	0	70 Å²	70	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	113.6	177.4	-54.3	179.1	0	0	0	108.6	L483 V509 I520 P536 Y537 R538 L612 F614	L483-L522 HydrophobicContact CD2-CD1 4.15Å; V509-L522 HydrophobicContact CB-CD2 4.46Å; V509-L522 HydrophobicContact CG1-CD2 4.22Å; V509-L522 HydrophobicContact CG2-CD2 3.78Å; I520-L522 HydrophobicContact CG2-CD2 4.14Å; L522-P536 CarbonylContact O-C 3.57Å; L522-P536 VanDerWaalsContact O-CA 3.24Å; L522-P536 WeakPolarHBondContact O-CA 3.24Å; L522-P536 WeakPolarHBondContact O-CB 3.37Å; L522-Y537 HydrophobicContact CB-CD1 4.36Å; L522-Y537 HydrophobicContact CB-CE1 3.67Å; L522-Y537 HydrophobicContact CB-CE2 4.49Å; L522-Y537 WeakPolarHBondContact O-CD1 3.36Å; L522-Y537 WeakPolarHBondContact O-CE1 3.28Å; L522-Y537 PolarHBondContact O-N 2.74Å; L522-R538 HydrophobicContact CB-CB 4.4Å; L522-R538 WeakPolarHBondContact CB-O 3.16Å; L522-R538 HydrophobicContact CD1-CB 4.31Å; L522-R538 HydrophobicContact CD1-CG 4.26Å; L522-R538 PolarHBondContact N-O 2.95Å; L522-R538 PolarHBondContact O-N 2.84Å; L522-L612 HydrophobicContact CD1-CD1 4.14Å; L522-L612 HydrophobicContact CD1-CD2 3.89Å; L522-F614 HydrophobicContact CD2-CE1 3.93Å; L522-F614 HydrophobicContact CD2-CZ 4.09Å
523	H	90.9	Very high	84.3	Confident	2 Å²	2	67.8 Å²	67.8	1%	0.009	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	147.1	178.6	-63	-103.4	0	0	0	110.2	A508 I532 S533 P534	A508-H523 HydrophobicContact CB-CB 4.06Å; A508-H523 PolarHBondContact N-O 3.19Å; A508-H523 PolarHBondContact O-N 3.17Å; H523-I532 HydrophobicContact CB-CG2 3.51Å; H523-S533 PolarHBondContact ND1-O 3.43Å; H523-P534 PolarHBondContact CE1-O 3.06Å; H523-P534 VanDerWaalsContact CE1-O 3.27Å
524	E	88.7	Confident	84	Confident	67 Å²	67	66.8 Å²	66.8	31%	0.313	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	141.2	175.1	-175.1	153.2	154	0	0	109.4	R505 S533 Y537	R505-E524 IonicContact CZ-OE1 2.58Å; R505-E524 IonicContact CZ-OE2 2.8Å; R505-E524 IonicContact NH1-OE2 2.66Å; R505-E524 PolarHBondContact NH1-OE2 2.68Å; R505-E524 IonicContact NH2-OE1 2.81Å; R505-E524 PolarHBondContact NH2-OE1 2.89Å; R505-E524 IonicContact NH2-OE2 3.42Å; R505-E524 PolarHBondContact NH2-OE2 3.47Å; E524-S533 PolarHBondContact N-OG 2.99Å; E524-S533 WeakPolarHBondContact O-CB 3.38Å; E524-S533 PolarHBondContact O-N 2.88Å; E524-S533 PolarHBondContact O-OG 2.75Å; E524-Y537 HydrophobicContact CB-CD1 4.25Å
525	I	88.3	Confident	84.1	Confident	23 Å²	23	70.3 Å²	70.3	12%	0.118	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	118	170.4	-57.8	176.1	0	0	0	106.1	R480 E506 A508 E527	R480-I525 HydrophobicContact CG-CD1 4.19Å; E506-I525 HydrophobicContact CB-CD1 4.2Å; E506-I525 HydrophobicContact CG-CD1 3.68Å; A508-I525 HydrophobicContact CB-CG1 4.2Å; I525-E527 PolarHBondContact O-N 2.9Å
526	I	82	Confident	84.4	Confident	77 Å²	77	63.1 Å²	63.1	40%	0.395	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	111.4	-175.7	-59.4	171.4	0	0	0	108.5	T529 D530 K531	I526-T529 WeakPolarHBondContact CB-OG1 3.45Å; I526-T529 HydrophobicContact CG2-CG2 4.46Å; I526-T529 WeakPolarHBondContact CG2-OG1 3.41Å; I526-T529 PolarHBondContact O-N 3.24Å; I526-T529 VanDerWaalsContact O-N 3.15Å; I526-T529 PolarHBondContact O-OG1 3.41Å; I526-T529 VanDerWaalsContact O-OG1 3.07Å; I526-D530 PolarHBondContact O-N 2.97Å; I526-K531 WeakPolarHBondContact CB-O 3.35Å; I526-K531 WeakPolarHBondContact CG1-O 3.21Å; I526-K531 PolarHBondContact N-O 2.75Å
527	E	74.1	Confident	85	Confident	151 Å²	151	65.2 Å²	65.2	71%	0.706	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.4	139.2	176.6	-63.8	176.9	-175.7	0	0	111.2	I525 T529	I525-E527 PolarHBondContact O-N 2.9Å; E527-T529 PolarHBondContact O-N 2.89Å
528	N	73.2	Confident	85.4	Confident	170 Å²	170	66.9 Å²	66.9	91%	0.909	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	1.9	-178.7	-45.3	-46.9	0	0	0	117.3
529	T	77.7	Confident	85.5	Confident	70 Å²	70	68.1 Å²	68.1	43%	0.429	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125	-11.1	176.9	66.7	0	0	0	0	115.1	I526 E527 K531	I526-T529 WeakPolarHBondContact CB-OG1 3.45Å; I526-T529 HydrophobicContact CG2-CG2 4.46Å; I526-T529 WeakPolarHBondContact CG2-OG1 3.41Å; I526-T529 PolarHBondContact O-N 3.24Å; I526-T529 VanDerWaalsContact O-N 3.15Å; I526-T529 PolarHBondContact O-OG1 3.41Å; I526-T529 VanDerWaalsContact O-OG1 3.07Å; E527-T529 PolarHBondContact O-N 2.89Å; T529-K531 PolarHBondContact O-N 3.15Å; T529-K531 PolarHBondContact OG1-N 2.74Å
530	D	77	Confident	85.6	Confident	106 Å²	106	68.7 Å²	68.7	57%	0.567	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	6.9	-172.7	-103.7	-62	0	0	0	115.2	R480 I526	R480-D530 IonicContact CZ-OD1 3.61Å; R480-D530 IonicContact NH1-OD1 3.95Å; R480-D530 PolarHBondContact NH1-OD1 2.82Å; R480-D530 PolarHBondContact NH2-O 2.71Å; R480-D530 IonicContact NH2-OD1 2.67Å; R480-D530 PolarHBondContact NH2-OD1 2.93Å; I526-D530 PolarHBondContact O-N 2.97Å
531	K	84.5	Confident	85.5	Confident	145 Å²	145	75.2 Å²	75.2	63%	0.63	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	131.8	-178.9	-71.3	171.6	-174.1	178.2	0	109.9	I526 T529	I526-K531 WeakPolarHBondContact CB-O 3.35Å; I526-K531 WeakPolarHBondContact CG1-O 3.21Å; I526-K531 PolarHBondContact N-O 2.75Å; T529-K531 PolarHBondContact O-N 3.15Å; T529-K531 PolarHBondContact OG1-N 2.74Å
532	I	82.9	Confident	85.5	Confident	45 Å²	45	75.5 Å²	75.5	23%	0.231	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	132.6	175.2	-61.9	148.3	0	0	0	108.2	T478 A508 H523	T478-I532 HydrophobicContact CG2-CD1 3.77Å; A508-I532 HydrophobicContact CB-CB 4.39Å; A508-I532 HydrophobicContact CB-CD1 4.35Å; A508-I532 HydrophobicContact CB-CG1 3.85Å; A508-I532 HydrophobicContact CB-CG2 3.65Å; H523-I532 HydrophobicContact CB-CG2 3.51Å
533	S	84.4	Confident	85.3	Confident	18 Å²	18	76.1 Å²	76.1	13%	0.126	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	132.4	175.7	67.8	0	0	0	0	110	H523 E524 E535	H523-S533 PolarHBondContact ND1-O 3.43Å; E524-S533 PolarHBondContact N-OG 2.99Å; E524-S533 WeakPolarHBondContact O-CB 3.38Å; E524-S533 PolarHBondContact O-N 2.88Å; E524-S533 PolarHBondContact O-OG 2.75Å; S533-E535 VanDerWaalsContact C-N 3.28Å; S533-E535 WeakPolarHBondContact CB-O 3.44Å; S533-E535 PolarHBondContact O-N 3.4Å; S533-E535 PolarHBondContact OG-O 2.73Å
534	P	80.3	Confident	85.1	Confident	112 Å²	112	76.8 Å²	76.8	73%	0.727	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.8	-37.6	179.6	25.2	-32.9	0	0	0	111.1	H523	H523-P534 PolarHBondContact CE1-O 3.06Å; H523-P534 VanDerWaalsContact CE1-O 3.27Å
535	E	85	Confident	85.1	Confident	159 Å²	159	77.9 Å²	77.9	74%	0.743	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	137.1	175.6	-63	179	175.7	0	0	110.8	S533	S533-E535 VanDerWaalsContact C-N 3.28Å; S533-E535 WeakPolarHBondContact CB-O 3.44Å; S533-E535 PolarHBondContact O-N 3.4Å; S533-E535 PolarHBondContact OG-O 2.73Å
536	P	87.8	Confident	85.3	Confident	47 Å²	47	77.6 Å²	77.6	31%	0.305	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	132.9	172.4	30.3	-31.6	0	0	0	110.6	A521 L522 R538 T539	A521-P536 HydrophobicContact CB-CB 4.02Å; A521-P536 HydrophobicContact CB-CG 4.38Å; L522-P536 CarbonylContact O-C 3.57Å; L522-P536 VanDerWaalsContact O-CA 3.24Å; L522-P536 WeakPolarHBondContact O-CA 3.24Å; L522-P536 WeakPolarHBondContact O-CB 3.37Å; P536-R538 PolarHBondContact O-N 3.46Å; P536-T539 HydrophobicContact CB-CG2 4.21Å; P536-T539 HydrophobicContact CG-CG2 3.84Å
537	Y	89.2	Confident	85.8	Confident	83 Å²	83	75 Å²	75	33%	0.325	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	-18.7	175	76.3	-94.6	0	0	0	112.1	L483 V507 L522 E524	L483-Y537 WeakPolarHBondContact CD2-OH 3.39Å; V507-Y537 HydrophobicContact CG1-CE1 4.13Å; L522-Y537 HydrophobicContact CB-CD1 4.36Å; L522-Y537 HydrophobicContact CB-CE1 3.67Å; L522-Y537 HydrophobicContact CB-CE2 4.49Å; L522-Y537 WeakPolarHBondContact O-CD1 3.36Å; L522-Y537 WeakPolarHBondContact O-CE1 3.28Å; L522-Y537 PolarHBondContact O-N 2.74Å; E524-Y537 HydrophobicContact CB-CD1 4.25Å
538	R	90.8	Very high	86.7	Confident	84 Å²	84	68.4 Å²	68.4	32%	0.317	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	138.2	175.8	175.4	167.5	176.2	163.2	-19.7	111.2	E487 L522 P536 V540	E487-R538 VanDerWaalsContact CD-CZ 3.45Å; E487-R538 VanDerWaalsContact CD-NH2 3.32Å; E487-R538 IonicContact OE1-CZ 2.68Å; E487-R538 IonicContact OE1-NE 2.78Å; E487-R538 IonicContact OE1-NH1 3.95Å; E487-R538 PolarHBondContact OE1-NH1 2.62Å; E487-R538 IonicContact OE1-NH2 3.94Å; E487-R538 PolarHBondContact OE1-NH2 2.72Å; E487-R538 IonicContact OE2-CZ 3.84Å; E487-R538 IonicContact OE2-NH1 3.21Å; E487-R538 PolarHBondContact OE2-NH1 2.71Å; E487-R538 IonicContact OE2-NH2 2.62Å; E487-R538 PolarHBondContact OE2-NH2 2.96Å; L522-R538 HydrophobicContact CB-CB 4.4Å; L522-R538 WeakPolarHBondContact CB-O 3.16Å; L522-R538 HydrophobicContact CD1-CB 4.31Å; L522-R538 HydrophobicContact CD1-CG 4.26Å; L522-R538 PolarHBondContact N-O 2.95Å; L522-R538 PolarHBondContact O-N 2.84Å; P536-R538 PolarHBondContact O-N 3.46Å; R538-V540 HydrophobicContact CG-CG2 4.37Å
539	T	91.4	Very high	87.6	Confident	69 Å²	69	61.2 Å²	61.2	42%	0.423	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	147.8	168.4	52.7	0	0	0	0	110.6	V519 I520 A521 P536	V519-T539 HydrophobicContact CG1-CG2 4.17Å; I520-T539 CarbonylContact O-C 3.59Å; I520-T539 WeakPolarHBondContact O-CA 3.46Å; A521-T539 HydrophobicContact CB-CG2 4.4Å; P536-T539 HydrophobicContact CB-CG2 4.21Å; P536-T539 HydrophobicContact CG-CG2 3.84Å
540	V	92	Very high	88.1	Confident	14 Å²	14	60.6 Å²	60.6	9%	0.085	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	108.8	172.7	177.9	0	0	0	0	108.3	I520 R538 M546 I611 L612	I520-V540 HydrophobicContact CB-CB 4.34Å; I520-V540 PolarHBondContact N-O 2.8Å; I520-V540 PolarHBondContact O-N 2.89Å; R538-V540 HydrophobicContact CG-CG2 4.37Å; V540-M546 HydrophobicContact CG1-CE 4.11Å; V540-I611 HydrophobicContact CG1-CG2 4.19Å; V540-L612 HydrophobicContact CB-CD1 4.38Å; V540-L612 HydrophobicContact CG2-CD1 3.99Å; V540-L612 HydrophobicContact CG2-CG 4.42Å
541	R	91.1	Very high	88.7	Confident	138 Å²	138	57.5 Å²	57.5	52%	0.521	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	135.3	174.8	-171.9	170.4	74.2	-169.1	3.9	109.9	V519 E543 M546	V519-R541 HydrophobicContact CG2-CB 4.35Å; V519-R541 HydrophobicContact CG2-CG 4.24Å; R541-E543 IonicContact CZ-OE1 3.95Å; R541-E543 IonicContact NE-OE1 3.13Å; R541-E543 PolarHBondContact NE-OE1 2.7Å; R541-E543 IonicContact NH2-OE1 2.74Å; R541-E543 PolarHBondContact NH2-OE1 2.88Å; R541-M546 WeakPolarHBondContact O-CE 2.89Å
542	I	90.9	Very high	89	Confident	5 Å²	5	54 Å²	54	3%	0.026	26%	0.26	C	S	.	.			trans	-78.3	135.1	177.4	-62.8	178.1	0	0	0	109.2	L511 K518 I520 F629 A632 L633 I636	L511-I542 HydrophobicContact CD1-CD1 3.87Å; K518-I542 HydrophobicContact CB-CD1 4.1Å; K518-I542 WeakPolarHBondContact O-CB 3.4Å; K518-I542 WeakPolarHBondContact O-CG1 3.39Å; K518-I542 PolarHBondContact O-N 3.36Å; K518-I542 VanDerWaalsContact O-N 3.11Å; I520-I542 HydrophobicContact CD1-CD1 4.24Å; I520-I542 HydrophobicContact CD1-CG1 4.02Å; I520-I542 HydrophobicContact CG1-CD1 3.88Å; I520-I542 HydrophobicContact CG1-CG1 3.78Å; I542-F629 HydrophobicContact CD1-CD1 4.45Å; I542-A632 HydrophobicContact CD1-CB 3.55Å; I542-L633 HydrophobicContact CG2-CD2 3.51Å; I542-L633 HydrophobicContact CG2-CG 4.01Å; I542-I636 HydrophobicContact CG2-CD1 3.98Å; I542-I636 HydrophobicContact CG2-CG1 4.38Å
543	E	88.8	Confident	89.2	Confident	13 Å²	13	54 Å²	54	6%	0.061	26%	0.26	C	S	.	.			trans	-137.3	152.7	-172.8	-61.7	-76.4	-167.2	0	0	111.2	R517 R541 Y545 M546 I636	R517-E543 IonicContact NH1-OE1 2.84Å; R517-E543 IonicContact NH1-OE2 3.75Å; R517-E543 PolarHBondContact NH1-OE2 3.4Å; R541-E543 IonicContact CZ-OE1 3.95Å; R541-E543 IonicContact NE-OE1 3.13Å; R541-E543 PolarHBondContact NE-OE1 2.7Å; R541-E543 IonicContact NH2-OE1 2.74Å; R541-E543 PolarHBondContact NH2-OE1 2.88Å; E543-Y545 VanDerWaalsContact C-N 3.26Å; E543-Y545 HydrophobicContact CB-CD1 4.28Å; E543-Y545 HydrophobicContact CB-CD2 4.11Å; E543-Y545 HydrophobicContact CB-CE1 3.78Å; E543-Y545 HydrophobicContact CB-CE2 3.58Å; E543-Y545 HydrophobicContact CB-CG 4.45Å; E543-Y545 VanDerWaalsContact CB-CZ 3.42Å; E543-Y545 HydrophobicContact CG-CE1 4.33Å; E543-Y545 HydrophobicContact CG-CE2 4.13Å; E543-Y545 WeakPolarHBondContact CG-OH 3.1Å; E543-Y545 PolarHBondContact O-N 2.84Å; E543-Y545 VanDerWaalsContact O-N 3.15Å; E543-M546 HydrophobicContact CB-CE 4.02Å; E543-M546 HydrophobicContact CB-CG 4.25Å; E543-M546 HydrophobicContact CG-CE 3.98Å; E543-M546 WeakPolarHBondContact O-CB 3.33Å; E543-M546 WeakPolarHBondContact O-CG 3.5Å; E543-M546 PolarHBondContact O-N 3.41Å; E543-I636 VanDerWaalsContact C-CD1 3.5Å
544	P	87.5	Confident	89.5	Confident	17 Å²	17	55.8 Å²	55.8	11%	0.11	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-29.1	-172.1	-27.2	35.6	0	0	0	116	M546 I636 L746	P544-M546 PolarHBondContact O-N 2.98Å; P544-I636 HydrophobicContact CG-CD1 4.2Å; P544-I636 HydrophobicContact CG-CG2 4.04Å; P544-L746 HydrophobicContact CB-CD1 3.73Å; P544-L746 HydrophobicContact CG-CD1 3.96Å
545	Y	88	Confident	89.7	Confident	90 Å²	90	54 Å²	54	35%	0.353	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	2.2	178	48.5	-107.8	0	0	0	113.6	E543 H569 V570	E543-Y545 VanDerWaalsContact C-N 3.26Å; E543-Y545 HydrophobicContact CB-CD1 4.28Å; E543-Y545 HydrophobicContact CB-CD2 4.11Å; E543-Y545 HydrophobicContact CB-CE1 3.78Å; E543-Y545 HydrophobicContact CB-CE2 3.58Å; E543-Y545 HydrophobicContact CB-CG 4.45Å; E543-Y545 VanDerWaalsContact CB-CZ 3.42Å; E543-Y545 HydrophobicContact CG-CE1 4.33Å; E543-Y545 HydrophobicContact CG-CE2 4.13Å; E543-Y545 WeakPolarHBondContact CG-OH 3.1Å; E543-Y545 PolarHBondContact O-N 2.84Å; E543-Y545 VanDerWaalsContact O-N 3.15Å; Y545-H569 HydrophobicContact CD2-CB 4.36Å; Y545-H569 AromaticContact CD2-CD2 3.31Å; Y545-H569 WeakPolarHBondContact CD2-CD2 3.39Å; Y545-H569 AromaticContact CD2-CE1 3.97Å; Y545-H569 AromaticContact CD2-CG 3.68Å; Y545-H569 AromaticContact CD2-NE2 3.54Å; Y545-H569 AromaticContact CE2-CD2 3.33Å; Y545-H569 WeakPolarHBondContact CE2-CD2 3.43Å; Y545-H569 AromaticContact CE2-NE2 3.68Å; Y545-H569 AromaticContact CG-NE2 3.98Å; Y545-V570 PolarHBondContact O-N 2.99Å
546	M	92.5	Very high	89.6	Confident	16 Å²	16	50.4 Å²	50.4	8%	0.079	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	137.1	176.6	-60.8	-167.8	-175.6	0	0	111.8	V540 R541 E543 P544 L567 N568 I611 L633	V540-M546 HydrophobicContact CG1-CE 4.11Å; R541-M546 WeakPolarHBondContact O-CE 2.89Å; E543-M546 HydrophobicContact CB-CE 4.02Å; E543-M546 HydrophobicContact CB-CG 4.25Å; E543-M546 HydrophobicContact CG-CE 3.98Å; E543-M546 WeakPolarHBondContact O-CB 3.33Å; E543-M546 WeakPolarHBondContact O-CG 3.5Å; E543-M546 PolarHBondContact O-N 3.41Å; P544-M546 PolarHBondContact O-N 2.98Å; M546-L567 HydrophobicContact CB-CD1 4.07Å; M546-L567 HydrophobicContact SD-CD1 4.39Å; M546-L567 HydrophobicContact SD-CD2 4.01Å; M546-L567 HydrophobicContact SD-CG 4.31Å; M546-N568 CarbonylContact C-O 3.42Å; M546-N568 VanDerWaalsContact CA-O 3.31Å; M546-N568 WeakPolarHBondContact CA-O 3.31Å; M546-I611 HydrophobicContact CE-CD1 3.74Å; M546-I611 HydrophobicContact CG-CD1 3.84Å; M546-I611 HydrophobicContact SD-CD1 3.7Å; M546-L633 HydrophobicContact CB-CD2 3.96Å; M546-L633 WeakPolarHBondContact O-CD2 3.21Å
547	Q	92.7	Very high	89.2	Confident	24 Å²	24	51.8 Å²	51.8	11%	0.112	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	136.4	176.8	-164	-169.1	-19.3	0	0	111	N568 V570	Q547-N568 PolarHBondContact N-O 3.39Å; Q547-N568 PolarHBondContact O-N 3.2Å; Q547-V570 HydrophobicContact CB-CG2 3.6Å
548	L	93.5	Very high	88.4	Confident	12 Å²	12	52.4 Å²	52.4	6%	0.063	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	141.3	172.8	-59.2	171.6	0	0	0	111.4	F565 K566 L567 F629 E630 L633	L548-F565 HydrophobicContact CD2-CD2 4.36Å; L548-F565 HydrophobicContact CD2-CE2 4.4Å; L548-K566 CarbonylContact C-O 3.52Å; L548-K566 WeakPolarHBondContact CA-O 3.34Å; L548-L567 HydrophobicContact CD2-CD1 3.79Å; L548-F629 HydrophobicContact CD1-CB 3.7Å; L548-F629 HydrophobicContact CD2-CB 4.14Å; L548-F629 HydrophobicContact CD2-CD2 4.43Å; L548-F629 HydrophobicContact CD2-CG 4.42Å; L548-F629 HydrophobicContact CG-CB 4.41Å; L548-E630 HydrophobicContact CD1-CG 3.71Å; L548-L633 HydrophobicContact CG-CD1 4.31Å
549	S	92.5	Very high	87.4	Confident	19 Å²	19	54.1 Å²	54.1	13%	0.133	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-76.7	159.1	164	78.7	0	0	0	0	111.3	K566 M626	S549-K566 PolarHBondContact N-O 2.88Å; S549-K566 PolarHBondContact OG-N 2.82Å; S549-M626 WeakPolarHBondContact O-CE 3.49Å
550	R	87.6	Confident	86.7	Confident	57 Å²	57	52.1 Å²	52.1	22%	0.215	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-55.7	152	159.1	-71.4	-179.1	-168	-160.5	2.1	110.1	Y292	Y292-R550 HydrophobicContact CD1-CB 4.29Å; Y292-R550 HydrophobicContact CD1-CG 3.74Å; Y292-R550 VanDerWaalsContact CD1-N 3.35Å; Y292-R550 HydrophobicContact CD2-CG 3.87Å; Y292-R550 HydrophobicContact CE1-CB 4.49Å; Y292-R550 HydrophobicContact CE1-CG 3.71Å; Y292-R550 HydrophobicContact CE2-CG 3.86Å; Y292-R550 HydrophobicContact CG-CG 3.78Å
551	E	89.9	Confident	86.6	Confident	40 Å²	40	55.1 Å²	55.1	19%	0.187	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-61.5	139.3	163.1	59	176.6	-158.4	0	0	110.2	V564 Q619 I622 R623	E551-V564 CarbonylContact C-O 3.58Å; E551-V564 WeakPolarHBondContact CA-O 3.4Å; E551-Q619 PolarHBondContact OE1-NE2 3.33Å; E551-I622 HydrophobicContact CB-CG2 4.33Å; E551-R623 IonicContact OE1-CZ 2.73Å; E551-R623 VanDerWaalsContact OE1-CZ 3.23Å; E551-R623 IonicContact OE1-NE 3.26Å; E551-R623 PolarHBondContact OE1-NE 2.82Å; E551-R623 IonicContact OE1-NH2 2.78Å; E551-R623 PolarHBondContact OE1-NH2 2.9Å; E551-R623 IonicContact OE2-NE 3.2Å
552	K	89.4	Confident	86.5	Confident	71 Å²	71	48.6 Å²	48.6	31%	0.309	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	145.1	175.7	-66.8	-172.9	-179.1	-179	0	109.6	P293 D294 V564	P293-K552 PolarHBondContact O-NZ 3.32Å; P293-K552 VanDerWaalsContact O-NZ 3.1Å; D294-K552 IonicContact OD1-NZ 3.19Å; D294-K552 PolarHBondContact OD1-NZ 2.95Å; K552-V564 PolarHBondContact N-O 2.8Å; K552-V564 PolarHBondContact O-N 3.38Å
553	L	88.8	Confident	86.6	Confident	45 Å²	45	48.5 Å²	48.5	24%	0.236	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	125.2	169.2	-73.6	-173.6	0	0	0	110.9	K561 H563 E871 L873 Y874	L553-K561 HydrophobicContact CB-CD 4.33Å; L553-K561 HydrophobicContact CD1-CD 4.03Å; L553-H563 HydrophobicContact CD2-CB 4.44Å; L553-E871 WeakPolarHBondContact CD1-OE2 3.43Å; L553-L873 HydrophobicContact CD2-CD1 3.39Å; L553-Y874 HydrophobicContact CD1-CD2 4.15Å; L553-Y874 HydrophobicContact CD1-CE2 3.59Å; L553-Y874 HydrophobicContact CG-CE2 4.28Å
554	Q	89	Confident	86.8	Confident	57 Å²	57	48.1 Å²	48.1	27%	0.266	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	148.4	169.8	-172.7	169.2	8.6	0	0	110.4	Y556 K561 L562 V564	Q554-Y556 PolarHBondContact O-N 2.87Å; Q554-K561 CarbonylContact O-C 3.56Å; Q554-K561 WeakPolarHBondContact O-CA 3.44Å; Q554-K561 WeakPolarHBondContact O-CB 3.39Å; Q554-L562 PolarHBondContact N-O 2.81Å; Q554-L562 PolarHBondContact O-N 2.94Å; Q554-V564 HydrophobicContact CB-CB 4.47Å; Q554-V564 HydrophobicContact CB-CG2 3.95Å
555	Q	86.3	Confident	87.1	Confident	75 Å²	75	47.3 Å²	47.3	35%	0.35	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	125.1	168.1	-175.3	154.8	27.4	0	0	109.8	D557 K558	Q555-D557 WeakPolarHBondContact CG-O 3.33Å; Q555-D557 PolarHBondContact NE2-O 2.76Å; Q555-K558 PolarHBondContact NE2-O 3.44Å
556	Y	82.2	Confident	87.4	Confident	83 Å²	83	44.5 Å²	44.5	33%	0.325	21%	0.208	S	C	.	.			trans	-94.8	-45.7	-179.7	170.1	-102.4	0	0	0	110.8	W482 W504 Q554 G560 L562	W482-Y556 HydrophobicContact CD2-CE2 4.4Å; W482-Y556 HydrophobicContact CE3-CE2 4.2Å; W482-Y556 WeakPolarHBondContact CH2-OH 3.33Å; W482-Y556 HydrophobicContact CZ3-CE2 4.45Å; W482-Y556 WeakPolarHBondContact CZ3-OH 3.45Å; W504-Y556 HydrophobicContact CB-CD2 4.3Å; W504-Y556 HydrophobicContact CB-CE2 3.72Å; W504-Y556 AromaticContact CD1-CD2 3.4Å; W504-Y556 VanDerWaalsContact CD1-CD2 3.4Å; W504-Y556 AromaticContact CD1-CE2 3.67Å; W504-Y556 AromaticContact CG-CD2 3.87Å; W504-Y556 HydrophobicContact CG-CD2 3.87Å; W504-Y556 AromaticContact CG-CE2 3.81Å; W504-Y556 HydrophobicContact CG-CE2 3.81Å; W504-Y556 AromaticContact NE1-CD2 3.82Å; Q554-Y556 PolarHBondContact O-N 2.87Å; Y556-G560 PolarHBondContact N-O 2.59Å; Y556-L562 HydrophobicContact CD2-CB 4.32Å; Y556-L562 HydrophobicContact CD2-CD1 4.47Å; Y556-L562 HydrophobicContact CD2-CD2 4.06Å; Y556-L562 HydrophobicContact CG-CB 4.4Å
557	D	78.2	Confident	87.5	Confident	76 Å²	76	44 Å²	44	41%	0.406	21%	0.205	S	C	.	.	S	Bend	trans	-144.2	174.1	-177.5	171.7	51.1	0	0	0	109.7	Q555 Y559 G560	Q555-D557 WeakPolarHBondContact CG-O 3.33Å; Q555-D557 PolarHBondContact NE2-O 2.76Å; D557-Y559 PolarHBondContact O-N 3.13Å; D557-Y559 VanDerWaalsContact OD2-CD2 3.28Å; D557-Y559 WeakPolarHBondContact OD2-CD2 3.29Å; D557-Y559 PolarHBondContact OD2-N 3.38Å; D557-G560 PolarHBondContact N-O 2.9Å; D557-G560 PolarHBondContact O-N 3.31Å; D557-G560 VanDerWaalsContact O-O 3.13Å
558	K	73.8	Confident	87.6	Confident	95 Å²	95	43.2 Å²	43.2	41%	0.413	20%	0.202	S	C	.	.	S	Bend	trans	-47.5	-37.8	170.5	-173.7	-176.3	172.6	-158.3	0	112.8	Q555 H827	Q555-K558 PolarHBondContact NE2-O 3.44Å; K558-H827 WeakPolarHBondContact CE-O 3.36Å
559	Y	69.4	Low	87.5	Confident	120 Å²	120	45.5 Å²	45.5	47%	0.471	21%	0.212	S	C	.	.	S	Bend	trans	-100.7	-32.4	-177.5	-50.9	-64.1	0	0	0	113.7	D557 Y829	D557-Y559 PolarHBondContact O-N 3.13Å; D557-Y559 VanDerWaalsContact OD2-CD2 3.28Å; D557-Y559 WeakPolarHBondContact OD2-CD2 3.29Å; D557-Y559 PolarHBondContact OD2-N 3.38Å; Y559-Y829 AromaticContact CD1-CD2 3.8Å; Y559-Y829 HydrophobicContact CD1-CD2 3.8Å; Y559-Y829 HydrophobicContact CD1-CE2 4.23Å; Y559-Y829 AromaticContact CE1-CD2 3.81Å; Y559-Y829 HydrophobicContact CE1-CD2 3.81Å; Y559-Y829 AromaticContact CE1-CE2 3.84Å; Y559-Y829 HydrophobicContact CE1-CE2 3.84Å
560	G	77.3	Confident	87.5	Confident	27 Å²	27	44.9 Å²	44.9	28%	0.278	21%	0.208	S	C	.	.			trans	-107.6	152.5	-169.2	0	0	0	0	0	116.1	Y556 D557	Y556-G560 PolarHBondContact N-O 2.59Å; D557-G560 PolarHBondContact N-O 2.9Å; D557-G560 PolarHBondContact O-N 3.31Å; D557-G560 VanDerWaalsContact O-O 3.13Å
561	K	88.2	Confident	87.6	Confident	78 Å²	78	44.1 Å²	44.1	34%	0.339	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	170.7	160.1	-70.7	176.6	-175.6	161.5	0	109.4	L553 Q554 E871 L873	L553-K561 HydrophobicContact CB-CD 4.33Å; L553-K561 HydrophobicContact CD1-CD 4.03Å; Q554-K561 CarbonylContact O-C 3.56Å; Q554-K561 WeakPolarHBondContact O-CA 3.44Å; Q554-K561 WeakPolarHBondContact O-CB 3.39Å; K561-E871 IonicContact NZ-OE1 3.33Å; K561-E871 PolarHBondContact NZ-OE1 2.84Å; K561-L873 HydrophobicContact CB-CD1 3.51Å; K561-L873 HydrophobicContact CB-CG 4.3Å
562	L	90.2	Very high	87.5	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	141.8	171.4	-170	77.8	0	0	0	108.7	W482 W504 Q554 Y556 V564 S616 L617	W482-L562 HydrophobicContact CB-CD2 4.1Å; W482-L562 HydrophobicContact CG-CD1 4.49Å; W482-L562 HydrophobicContact CG-CD2 4.5Å; W504-L562 HydrophobicContact CD2-CD2 3.98Å; W504-L562 HydrophobicContact CE3-CD2 3.99Å; W504-L562 HydrophobicContact CH2-CD2 3.98Å; W504-L562 HydrophobicContact CZ2-CD2 3.96Å; W504-L562 HydrophobicContact CZ3-CD2 3.99Å; Q554-L562 PolarHBondContact N-O 2.81Å; Q554-L562 PolarHBondContact O-N 2.94Å; Y556-L562 HydrophobicContact CD2-CB 4.32Å; Y556-L562 HydrophobicContact CD2-CD1 4.47Å; Y556-L562 HydrophobicContact CD2-CD2 4.06Å; Y556-L562 HydrophobicContact CG-CB 4.4Å; L562-V564 HydrophobicContact CB-CG2 4.29Å; L562-V564 HydrophobicContact CD2-CG2 4.07Å; L562-V564 HydrophobicContact CG-CG2 4.29Å; L562-S616 VanDerWaalsContact CD1-O 3.3Å; L562-S616 WeakPolarHBondContact CD1-O 3.48Å; L562-L617 HydrophobicContact CD1-CD2 3.77Å; L562-L617 HydrophobicContact CD1-CG 3.91Å
563	H	92.2	Very high	87.3	Confident	3 Å²	3	46.8 Å²	46.8	1%	0.014	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	129.3	166.5	-66.7	-95.8	0	0	0	108.2	L553 G615 S616 I622 Y874	L553-H563 HydrophobicContact CD2-CB 4.44Å; H563-G615 CarbonylContact O-C 3.54Å; H563-G615 WeakPolarHBondContact O-CA 3.26Å; H563-S616 WeakPolarHBondContact CB-O 3.31Å; H563-S616 PolarHBondContact N-O 2.97Å; H563-S616 PolarHBondContact O-N 2.89Å; H563-I622 HydrophobicContact CB-CD1 3.54Å; H563-I622 WeakPolarHBondContact O-CD1 3.47Å; H563-Y874 AromaticContact CE1-CE1 3.76Å; H563-Y874 AromaticContact CE1-CZ 3.8Å
564	V	93.7	Very high	87	Confident	6 Å²	6	47.7 Å²	47.7	4%	0.036	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	136.1	-170.4	169.7	0	0	0	0	110.7	W504 E551 K552 Q554 L562 K613 F614	W504-V564 HydrophobicContact CH2-CB 4.49Å; W504-V564 HydrophobicContact CH2-CG1 4.1Å; W504-V564 HydrophobicContact CH2-CG2 3.54Å; W504-V564 HydrophobicContact CZ2-CG2 3.84Å; E551-V564 CarbonylContact C-O 3.58Å; E551-V564 WeakPolarHBondContact CA-O 3.4Å; K552-V564 PolarHBondContact N-O 2.8Å; K552-V564 PolarHBondContact O-N 3.38Å; Q554-V564 HydrophobicContact CB-CB 4.47Å; Q554-V564 HydrophobicContact CB-CG2 3.95Å; L562-V564 HydrophobicContact CB-CG2 4.29Å; L562-V564 HydrophobicContact CD2-CG2 4.07Å; L562-V564 HydrophobicContact CG-CG2 4.29Å; V564-K613 HydrophobicContact CG1-CD 4.41Å; V564-K613 HydrophobicContact CG1-CG 3.97Å; V564-F614 VanDerWaalsContact CA-O 3.31Å; V564-F614 WeakPolarHBondContact CA-O 3.33Å; V564-F614 WeakPolarHBondContact CG1-O 3.2Å
565	F	94.6	Very high	86.3	Confident	0 Å²	0	49 Å²	49	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	155.7	168.1	74.2	-81.2	0	0	0	110.6	L548 F614 I622 L625 M626 F629	L548-F565 HydrophobicContact CD2-CD2 4.36Å; L548-F565 HydrophobicContact CD2-CE2 4.4Å; F565-F614 HydrophobicContact CD1-CB 3.98Å; F565-F614 HydrophobicContact CD2-CD2 4.35Å; F565-F614 HydrophobicContact CE1-CB 3.48Å; F565-F614 VanDerWaalsContact CE1-CB 3.48Å; F565-F614 HydrophobicContact CE1-CD2 4.27Å; F565-F614 HydrophobicContact CE1-CG 4.2Å; F565-F614 HydrophobicContact CE2-CB 4.27Å; F565-F614 AromaticContact CE2-CD2 3.57Å; F565-F614 HydrophobicContact CE2-CD2 3.57Å; F565-F614 HydrophobicContact CE2-CE2 4.33Å; F565-F614 HydrophobicContact CE2-CG 4.31Å; F565-F614 HydrophobicContact CZ-CB 3.64Å; F565-F614 AromaticContact CZ-CD2 3.52Å; F565-F614 HydrophobicContact CZ-CD2 3.52Å; F565-F614 HydrophobicContact CZ-CE2 4.39Å; F565-F614 AromaticContact CZ-CG 3.84Å; F565-F614 HydrophobicContact CZ-CG 3.84Å; F565-F614 PolarHBondContact N-O 2.84Å; F565-F614 PolarHBondContact O-N 2.72Å; F565-F614 VanDerWaalsContact O-O 3.08Å; F565-I622 HydrophobicContact CD1-CB 4.48Å; F565-I622 HydrophobicContact CD1-CD1 4.05Å; F565-I622 HydrophobicContact CD1-CG1 3.97Å; F565-I622 HydrophobicContact CD1-CG2 3.75Å; F565-I622 HydrophobicContact CE1-CD1 4.45Å; F565-I622 HydrophobicContact CE1-CG1 3.98Å; F565-I622 HydrophobicContact CE1-CG2 4.22Å; F565-I622 HydrophobicContact CG-CG2 4.44Å; F565-L625 HydrophobicContact CZ-CD2 4.06Å; F565-M626 HydrophobicContact CB-SD 4.46Å; F565-M626 HydrophobicContact CD2-CG 4.46Å; F565-F629 HydrophobicContact CE2-CD2 4.11Å; F565-F629 AromaticContact CE2-CE2 3.87Å; F565-F629 HydrophobicContact CE2-CE2 3.87Å; F565-F629 HydrophobicContact CZ-CD2 4.43Å; F565-F629 AromaticContact CZ-CE2 3.88Å; F565-F629 HydrophobicContact CZ-CE2 3.88Å
566	K	94.1	Very high	85.4	Confident	30 Å²	30	48.7 Å²	48.7	13%	0.13	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	139.3	-175.5	-54	176	-172.5	179.7	0	110.1	L548 S549 E610 L612 K613	L548-K566 CarbonylContact C-O 3.52Å; L548-K566 WeakPolarHBondContact CA-O 3.34Å; S549-K566 PolarHBondContact N-O 2.88Å; S549-K566 PolarHBondContact OG-N 2.82Å; K566-E610 HydrophobicContact CD-CG 4.21Å; K566-E610 WeakPolarHBondContact CD-OE1 3.39Å; K566-E610 WeakPolarHBondContact CE-OE1 3.16Å; K566-E610 IonicContact NZ-OE1 2.66Å; K566-E610 PolarHBondContact NZ-OE1 2.87Å; K566-L612 WeakPolarHBondContact CA-O 3.28Å; K566-K613 HydrophobicContact CG-CB 4.45Å; K566-K613 HydrophobicContact CG-CD 4.43Å; K566-K613 HydrophobicContact CG-CG 4.14Å
567	L	94.5	Very high	84.3	Confident	5 Å²	5	45.7 Å²	45.7	3%	0.026	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	115.7	162.4	-177.1	68.4	0	0	0	107.5	I520 M546 L548 I611 L612	I520-L567 HydrophobicContact CD1-CD2 3.52Å; M546-L567 HydrophobicContact CB-CD1 4.07Å; M546-L567 HydrophobicContact SD-CD1 4.39Å; M546-L567 HydrophobicContact SD-CD2 4.01Å; M546-L567 HydrophobicContact SD-CG 4.31Å; L548-L567 HydrophobicContact CD2-CD1 3.79Å; L567-I611 HydrophobicContact CD2-CD1 4.43Å; L567-I611 HydrophobicContact CG-CD1 4.19Å; L567-I611 WeakPolarHBondContact O-CB 3.42Å; L567-I611 PolarHBondContact O-N 2.95Å; L567-L612 HydrophobicContact CB-CB 4.31Å; L567-L612 HydrophobicContact CD2-CD1 4.41Å; L567-L612 PolarHBondContact N-O 3.47Å; L567-L612 PolarHBondContact O-N 2.74Å
568	N	94.4	Very high	82.9	Confident	8 Å²	8	46.4 Å²	46.4	4%	0.043	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	140.9	-177.3	-51.9	-66.9	0	0	0	110.6	M546 Q547 Y608 T609	M546-N568 CarbonylContact C-O 3.42Å; M546-N568 VanDerWaalsContact CA-O 3.31Å; M546-N568 WeakPolarHBondContact CA-O 3.31Å; Q547-N568 PolarHBondContact N-O 3.39Å; Q547-N568 PolarHBondContact O-N 3.2Å; N568-Y608 HydrophobicContact CB-CD1 4.15Å; N568-T609 CarbonylContact C-O 3.55Å; N568-T609 VanDerWaalsContact CA-O 3.24Å; N568-T609 WeakPolarHBondContact CA-O 3.49Å
569	H	92.3	Very high	81.7	Confident	60 Å²	60	46.1 Å²	46.1	28%	0.278	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	125.1	159.9	173.3	-40.7	0	0	0	108	Y545 T609 I611	Y545-H569 HydrophobicContact CD2-CB 4.36Å; Y545-H569 AromaticContact CD2-CD2 3.31Å; Y545-H569 WeakPolarHBondContact CD2-CD2 3.39Å; Y545-H569 AromaticContact CD2-CE1 3.97Å; Y545-H569 AromaticContact CD2-CG 3.68Å; Y545-H569 AromaticContact CD2-NE2 3.54Å; Y545-H569 AromaticContact CE2-CD2 3.33Å; Y545-H569 WeakPolarHBondContact CE2-CD2 3.43Å; Y545-H569 AromaticContact CE2-NE2 3.68Å; Y545-H569 AromaticContact CG-NE2 3.98Å; H569-T609 WeakPolarHBondContact CB-OG1 3.44Å; H569-T609 PolarHBondContact N-O 2.99Å; H569-T609 PolarHBondContact O-N 2.71Å; H569-T609 PolarHBondContact O-OG1 2.92Å; H569-T609 VanDerWaalsContact O-OG1 3.09Å; H569-I611 HydrophobicContact CB-CD1 3.92Å; H569-I611 HydrophobicContact CB-CG1 4.04Å
570	V	92	Very high	80.8	Confident	7 Å²	7	44 Å²	44	4%	0.042	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	124.8	176.2	-169.3	0	0	0	0	108.7	Y545 Q547 Y572 P606 Y608	Y545-V570 PolarHBondContact O-N 2.99Å; Q547-V570 HydrophobicContact CB-CG2 3.6Å; V570-Y572 HydrophobicContact CG1-CD2 4.39Å; V570-Y572 HydrophobicContact CG1-CE2 3.83Å; V570-P606 HydrophobicContact CG1-CB 3.79Å; V570-Y608 HydrophobicContact CG1-CE1 4.26Å; V570-Y608 HydrophobicContact CG2-CD1 3.73Å; V570-Y608 HydrophobicContact CG2-CE1 3.63Å
571	S	89.2	Confident	79.5	Confident	40 Å²	40	47.9 Å²	47.9	28%	0.28	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	134.4	173.2	59.1	0	0	0	0	108.6	I607	S571-I607 PolarHBondContact N-O 2.87Å; S571-I607 WeakPolarHBondContact O-CA 3.44Å; S571-I607 WeakPolarHBondContact O-CB 3.19Å; S571-I607 PolarHBondContact O-N 3.39Å; S571-I607 PolarHBondContact OG-O 2.82Å
572	Y	87.9	Confident	77.6	Confident	46 Å²	46	51.5 Å²	51.5	18%	0.18	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	145.4	178.7	-69.7	-97.2	0	0	0	110.8	V570 H604 I605 P606 F683 G748	V570-Y572 HydrophobicContact CG1-CD2 4.39Å; V570-Y572 HydrophobicContact CG1-CE2 3.83Å; Y572-H604 HydrophobicContact CD1-CB 4.07Å; Y572-I605 WeakPolarHBondContact CA-O 3.44Å; Y572-P606 HydrophobicContact CD1-CB 4.06Å; Y572-P606 HydrophobicContact CE1-CB 3.67Å; Y572-P606 HydrophobicContact CE1-CG 4.22Å; Y572-F683 HydrophobicContact CD1-CE1 4.05Å; Y572-F683 HydrophobicContact CD1-CE2 4.44Å; Y572-F683 AromaticContact CD1-CZ 3.46Å; Y572-F683 HydrophobicContact CD1-CZ 3.46Å; Y572-F683 VanDerWaalsContact CD1-CZ 3.46Å; Y572-F683 AromaticContact CD2-CE1 3.96Å; Y572-F683 HydrophobicContact CD2-CE1 3.96Å; Y572-F683 AromaticContact CD2-CZ 3.91Å; Y572-F683 HydrophobicContact CD2-CZ 3.91Å; Y572-F683 AromaticContact CE1-CZ 3.73Å; Y572-F683 HydrophobicContact CE1-CZ 3.73Å; Y572-F683 HydrophobicContact CE2-CZ 4.18Å; Y572-F683 AromaticContact CG-CE1 3.65Å; Y572-F683 HydrophobicContact CG-CE1 3.65Å; Y572-F683 AromaticContact CG-CZ 3.54Å; Y572-F683 HydrophobicContact CG-CZ 3.54Å; Y572-G748 WeakPolarHBondContact CD2-O 3.25Å
573	K	84.5	Confident	75.4	Confident	121 Å²	121	58.1 Å²	58.1	53%	0.526	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	130.7	166.6	-68.2	-170.4	-171.3	168.1	0	109.8	L575 I605 I607	K573-L575 HydrophobicContact CB-CG 4.47Å; K573-L575 PolarHBondContact O-N 2.91Å; K573-I605 PolarHBondContact N-O 2.75Å; K573-I605 PolarHBondContact O-N 2.81Å; K573-I607 HydrophobicContact CB-CD1 4.21Å; K573-I607 HydrophobicContact CD-CD1 3.49Å; K573-I607 VanDerWaalsContact CD-CD1 3.49Å; K573-I607 HydrophobicContact CG-CD1 3.74Å
574	E	82.3	Confident	73.2	Confident	64 Å²	64	60.6 Å²	60.6	30%	0.299	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	116.8	163.9	-68.9	179.5	-167.3	0	0	109	H604 Y646 S647	E574-H604 IonicContact OE1-NE2 3.9Å; E574-Y646 WeakPolarHBondContact OE1-CA 3.09Å; E574-Y646 WeakPolarHBondContact OE1-CB 3.2Å; E574-S647 PolarHBondContact OE1-N 2.81Å; E574-S647 WeakPolarHBondContact OE2-CB 3.47Å
575	L	75.6	Confident	71.5	Confident	85 Å²	85	67.2 Å²	67.2	45%	0.445	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	141.1	173.3	-73.9	173.9	0	0	0	109.4	K573 G577 L602 D603 I605	K573-L575 HydrophobicContact CB-CG 4.47Å; K573-L575 PolarHBondContact O-N 2.91Å; L575-G577 PolarHBondContact O-N 3.45Å; L575-G577 VanDerWaalsContact O-N 3.09Å; L575-L602 CarbonylContact O-C 3.59Å; L575-L602 WeakPolarHBondContact O-CA 3.35Å; L575-D603 PolarHBondContact N-O 2.83Å; L575-D603 PolarHBondContact O-N 2.86Å; L575-I605 HydrophobicContact CB-CD1 3.97Å; L575-I605 HydrophobicContact CB-CG1 4.34Å; L575-I605 HydrophobicContact CD1-CB 4.35Å; L575-I605 HydrophobicContact CD1-CD1 3.99Å; L575-I605 HydrophobicContact CD1-CG1 4.47Å
576	V	66.8	Low	69.7	Low	68 Å²	68	74.5 Å²	74.5	41%	0.412	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	115.8	174.7	-178.5	0	0	0	0	108.5	M578 I600 L602	V576-M578 VanDerWaalsContact C-N 3.26Å; V576-M578 HydrophobicContact CG1-CG 4.37Å; V576-M578 PolarHBondContact O-N 2.92Å; V576-I600 HydrophobicContact CG1-CB 4Å; V576-I600 HydrophobicContact CG1-CD1 4.2Å; V576-I600 HydrophobicContact CG1-CG2 3.3Å; V576-L602 HydrophobicContact CB-CD2 4.49Å; V576-L602 HydrophobicContact CG2-CD2 3.81Å
577	G	58.6	Low	67.8	Low	20 Å²	20	76.8 Å²	76.8	21%	0.206	38%	0.382	C	S	.	.			trans	-65.4	73.5	-171.6	0	0	0	0	0	113.6	L575 R579 T601 D603	L575-G577 PolarHBondContact O-N 3.45Å; L575-G577 VanDerWaalsContact O-N 3.09Å; G577-R579 PolarHBondContact O-N 2.84Å; G577-T601 WeakPolarHBondContact CA-O 3.29Å; G577-T601 PolarHBondContact N-O 3.23Å; G577-D603 VanDerWaalsContact CA-OD2 3.32Å; G577-D603 WeakPolarHBondContact CA-OD2 3.43Å
578	M	49.1	Very low	66	Low	91 Å²	91	81.2 Å²	81.2	45%	0.448	41%	0.405	S	S	.	.			trans	-82.6	93.2	-179.2	-71.1	-172.2	66.2	0	0	110.5	V576 P580 F583 L591	V576-M578 VanDerWaalsContact C-N 3.26Å; V576-M578 HydrophobicContact CG1-CG 4.37Å; V576-M578 PolarHBondContact O-N 2.92Å; M578-P580 WeakPolarHBondContact O-CD 3.5Å; M578-F583 HydrophobicContact CE-CE1 4.31Å; M578-L591 HydrophobicContact CE-CD2 4.43Å; M578-L591 HydrophobicContact SD-CD2 4.1Å
579	R	49.9	Very low	64.1	Low	89 Å²	89	87.4 Å²	87.4	34%	0.336	43%	0.434	S	S	.	.			trans	-51.7	122.8	174.2	-163.1	-178.6	-158.6	123	3.3	110.9	T185 S187 G577 E581 K582	T185-R579 PolarHBondContact O-NH2 3.17Å; T185-R579 PolarHBondContact OG1-NE 2.98Å; T185-R579 PolarHBondContact OG1-NH2 2.87Å; S187-R579 PolarHBondContact OG-NH1 3.03Å; S187-R579 VanDerWaalsContact OG-NH1 3.12Å; S187-R579 PolarHBondContact OG-NH2 2.84Å; G577-R579 PolarHBondContact O-N 2.84Å; R579-E581 HydrophobicContact CG-CB 4.5Å; R579-E581 IonicContact NE-OE1 3.68Å; R579-E581 PolarHBondContact O-N 3.34Å; R579-E581 VanDerWaalsContact O-N 3.1Å; R579-K582 PolarHBondContact O-N 2.86Å
580	P	49.6	Very low	62.4	Low	77 Å²	77	88.9 Å²	88.9	50%	0.5	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-56.1	-33.1	-176.2	-29.6	35.9	0	0	0	114.4	M578 K582 F583	M578-P580 WeakPolarHBondContact O-CD 3.5Å; P580-K582 PolarHBondContact O-N 3.15Å; P580-F583 HydrophobicContact CB-CD2 4.41Å; P580-F583 WeakPolarHBondContact O-CD2 3.21Å; P580-F583 PolarHBondContact O-N 3.43Å; P580-F583 VanDerWaalsContact O-N 3.1Å
581	E	50.9	Low	60.4	Low	107 Å²	107	92.8 Å²	92.8	50%	0.5	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-62.4	-3.5	176.3	-68.3	-178.6	-107.7	0	0	114.9	R182 T185 R579	R182-E581 IonicContact NH2-OE2 3.32Å; R182-E581 PolarHBondContact NH2-OE2 2.87Å; T185-E581 VanDerWaalsContact CG2-OE1 3.31Å; T185-E581 WeakPolarHBondContact CG2-OE1 3.46Å; T185-E581 PolarHBondContact OG1-OE1 3.33Å; R579-E581 HydrophobicContact CG-CB 4.5Å; R579-E581 IonicContact NE-OE1 3.68Å; R579-E581 PolarHBondContact O-N 3.34Å; R579-E581 VanDerWaalsContact O-N 3.1Å
582	K	47.2	Very low	58.9	Low	154 Å²	154	97 Å²	97	67%	0.67	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-111.8	12.4	174.9	-69.8	-172.9	178.1	-178.5	0	114.6	R579 P580 S584 N587	R579-K582 PolarHBondContact O-N 2.86Å; P580-K582 PolarHBondContact O-N 3.15Å; K582-S584 PolarHBondContact O-N 3.15Å; K582-N587 PolarHBondContact O-ND2 3.31Å
583	F	44.9	Very low	57.3	Low	140 Å²	140	99.5 Å²	99.5	61%	0.614	51%	0.508	S	S	*	.			trans	-69	75.8	168.6	-82.5	-70.3	0	0	0	112.2	M578 P580	M578-F583 HydrophobicContact CE-CE1 4.31Å; P580-F583 HydrophobicContact CB-CD2 4.41Å; P580-F583 WeakPolarHBondContact O-CD2 3.21Å; P580-F583 PolarHBondContact O-N 3.43Å; P580-F583 VanDerWaalsContact O-N 3.1Å
584	S	45	Very low	55.4	Low	55 Å²	55	100.1 Å²	100.1	39%	0.385	51%	0.512	S	S	.	.			trans	-91.5	134.2	153	-170.2	0	0	0	0	108.5	K582 K586 N587	K582-S584 PolarHBondContact O-N 3.15Å; S584-K586 PolarHBondContact O-N 3.07Å; S584-N587 WeakPolarHBondContact O-CB 3.21Å; S584-N587 PolarHBondContact O-N 2.78Å
585	I	58.9	Low	53.9	Low	145 Å²	145	106.6 Å²	106.6	74%	0.744	54%	0.539	S	S	*	.	H	α-helix	trans	-51.6	-30.8	174.8	-63	168.9	0	0	0	111.3	N587 L588 Q589	I585-N587 VanDerWaalsContact C-N 3.35Å; I585-N587 PolarHBondContact O-N 3.23Å; I585-L588 PolarHBondContact O-N 3.17Å; I585-Q589 PolarHBondContact O-N 2.94Å
586	K	55.6	Low	52.3	Low	153 Å²	153	107.1 Å²	107.1	67%	0.665	55%	0.548	S	S	*	.	H	α-helix	trans	-64.4	-32.4	175.8	-59.6	-178.6	-179.4	-179.3	0	113.7	S584 N590	S584-K586 PolarHBondContact O-N 3.07Å; K586-N590 PolarHBondContact O-N 2.7Å; K586-N590 PolarHBondContact O-ND2 3.28Å
587	N	55.7	Low	51.5	Low	78 Å²	78	112.6 Å²	112.6	42%	0.417	57%	0.566	S	S	.	*	H	α-helix	trans	-74.2	-31.1	177.7	-69	-19.4	0	0	0	111.8	K582 S584 I585 N590 L591	K582-N587 PolarHBondContact O-ND2 3.31Å; S584-N587 WeakPolarHBondContact O-CB 3.21Å; S584-N587 PolarHBondContact O-N 2.78Å; I585-N587 VanDerWaalsContact C-N 3.35Å; I585-N587 PolarHBondContact O-N 3.23Å; N587-N590 PolarHBondContact O-N 3.43Å; N587-L591 PolarHBondContact O-N 3.25Å
588	L	55.2	Low	51.1	Low	98 Å²	98	120.9 Å²	120.9	51%	0.513	60%	0.6	S	S	.	*	H	α-helix	trans	-67.7	-40.1	178.2	-158	78.9	0	0	0	111.5	I585 N590 L591	I585-L588 PolarHBondContact O-N 3.17Å; L588-N590 VanDerWaalsContact C-N 3.35Å; L588-N590 PolarHBondContact O-N 3.01Å; L588-L591 PolarHBondContact O-N 2.76Å
589	Q	56	Low	51.2	Low	138 Å²	138	123.9 Å²	123.9	65%	0.645	62%	0.617	S	S	*	*	H	α-helix	trans	-63.5	-38.7	174	-77.3	-177.6	-34.9	0	0	112.5	I585 L591 V592 T593	I585-Q589 PolarHBondContact O-N 2.94Å; Q589-L591 VanDerWaalsContact C-N 3.26Å; Q589-L591 PolarHBondContact O-N 3.42Å; Q589-V592 PolarHBondContact O-N 3.34Å; Q589-T593 PolarHBondContact O-OG1 2.99Å
590	N	55.2	Low	51.6	Low	91 Å²	91	123 Å²	123	49%	0.487	62%	0.619	S	S	.	*	H	α-helix	trans	-68	-23.7	178.1	-69.3	-15.2	0	0	0	113.5	K586 N587 L588 V592 H594	K586-N590 PolarHBondContact O-N 2.7Å; K586-N590 PolarHBondContact O-ND2 3.28Å; N587-N590 PolarHBondContact O-N 3.43Å; L588-N590 VanDerWaalsContact C-N 3.35Å; L588-N590 PolarHBondContact O-N 3.01Å; N590-V592 VanDerWaalsContact C-N 3.32Å; N590-H594 PolarHBondContact O-N 2.71Å
591	L	51.1	Low	52.2	Low	88 Å²	88	122 Å²	122	46%	0.461	61%	0.611	S	S	.	*	H	α-helix	trans	-76.3	-19.6	178.9	-157.7	71.4	0	0	0	112.9	M578 N587 L588 Q589	M578-L591 HydrophobicContact CE-CD2 4.43Å; M578-L591 HydrophobicContact SD-CD2 4.1Å; N587-L591 PolarHBondContact O-N 3.25Å; L588-L591 PolarHBondContact O-N 2.76Å; Q589-L591 VanDerWaalsContact C-N 3.26Å; Q589-L591 PolarHBondContact O-N 3.42Å
592	V	57.2	Low	53	Low	130 Å²	130	118.8 Å²	118.8	79%	0.788	60%	0.597	S	S	*	*	H	α-helix	trans	-91.2	-20.5	179.4	-179.4	0	0	0	0	112	Q589 N590	Q589-V592 PolarHBondContact O-N 3.34Å; N590-V592 VanDerWaalsContact C-N 3.32Å
593	T	54.2	Low	54.5	Low	98 Å²	98	114.4 Å²	114.4	60%	0.601	58%	0.581	S	S	*	*	H	α-helix	trans	-110.4	-17.2	-172.2	53.9	0	0	0	0	115.3	Q589	Q589-T593 PolarHBondContact O-OG1 2.99Å
594	H	45.6	Very low	56.4	Low	134 Å²	134	108.6 Å²	108.6	62%	0.62	56%	0.556	S	S	*	*	S	Bend	trans	-124.4	143	-178.6	-65.8	-76.2	0	0	0	112	N590	N590-H594 PolarHBondContact O-N 2.71Å
595	K	48.9	Very low	58.3	Low	199 Å²	199	109.3 Å²	109.3	87%	0.865	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-51.8	131.4	171.8	-68.6	-177.1	177	-176.8	0	108.9	K597	K595-K597 PolarHBondContact O-N 3.28Å
596	P	43.4	Very low	59.7	Low	97 Å²	97	103.6 Å²	103.6	63%	0.63	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-57.8	133.2	178.5	23.7	-32.8	0	0	0	109.5	Q598 I600	P596-Q598 PolarHBondContact O-N 2.93Å; P596-I600 HydrophobicContact CB-CD1 4.07Å
597	K	49.8	Very low	61.3	Low	182 Å²	182	99 Å²	99	79%	0.791	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-59.8	136	174.5	-68.8	-172.4	175.9	-170.3	0	108.4	K595 N599 I600	K595-K597 PolarHBondContact O-N 3.28Å; K597-N599 PolarHBondContact O-N 2.85Å; K597-I600 WeakPolarHBondContact O-CG1 3.41Å
598	Q	50.4	Low	63	Low	195 Å²	195	97.9 Å²	97.9	91%	0.911	50%	0.499	S	S	*	.	S	Bend	trans	-70	3	-166.9	-160.9	159.2	-20.4	0	0	115.2	P596	P596-Q598 PolarHBondContact O-N 2.93Å
599	N	50.4	Low	64.7	Low	153 Å²	153	96.5 Å²	96.5	82%	0.818	50%	0.495	S	S	*	.			trans	-117.8	39.4	-176.1	-61.5	19.4	0	0	0	112.1	K597	K597-N599 PolarHBondContact O-N 2.85Å
600	I	58	Low	66.4	Low	71 Å²	71	93.7 Å²	93.7	36%	0.364	48%	0.482	S	S	.	.			trans	-99.3	119.3	172.1	-46.8	159.5	0	0	0	108.7	V576 P596 K597 L602	V576-I600 HydrophobicContact CG1-CB 4Å; V576-I600 HydrophobicContact CG1-CD1 4.2Å; V576-I600 HydrophobicContact CG1-CG2 3.3Å; P596-I600 HydrophobicContact CB-CD1 4.07Å; K597-I600 WeakPolarHBondContact O-CG1 3.41Å; I600-L602 PolarHBondContact O-N 2.93Å
601	T	62.2	Low	68.1	Low	56 Å²	56	90.9 Å²	90.9	34%	0.344	47%	0.467	S	S	.	.			trans	-63.6	127.4	179.5	49.1	0	0	0	0	110.7	G577	G577-T601 WeakPolarHBondContact CA-O 3.29Å; G577-T601 PolarHBondContact N-O 3.23Å
602	L	69.1	Low	70.2	Confident	40 Å²	40	86.8 Å²	86.8	21%	0.209	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	114.7	172.5	-68	168.8	0	0	0	108.7	L575 V576 I600 R648	L575-L602 CarbonylContact O-C 3.59Å; L575-L602 WeakPolarHBondContact O-CA 3.35Å; V576-L602 HydrophobicContact CB-CD2 4.49Å; V576-L602 HydrophobicContact CG2-CD2 3.81Å; I600-L602 PolarHBondContact O-N 2.93Å; L602-R648 WeakPolarHBondContact O-CD 3.48Å; L602-R648 PolarHBondContact O-NH1 2.87Å
603	D	77.5	Confident	71.9	Confident	62 Å²	62	81.5 Å²	81.5	33%	0.332	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	138.4	178.3	-59.1	-36.4	0	0	0	109.8	L575 G577 I605 R648	L575-D603 PolarHBondContact N-O 2.83Å; L575-D603 PolarHBondContact O-N 2.86Å; G577-D603 VanDerWaalsContact CA-OD2 3.32Å; G577-D603 WeakPolarHBondContact CA-OD2 3.43Å; D603-I605 PolarHBondContact O-N 2.74Å; D603-R648 IonicContact OD1-CZ 3.14Å; D603-R648 IonicContact OD1-NH1 3.46Å; D603-R648 PolarHBondContact OD1-NH1 2.86Å
604	H	84.2	Confident	73.8	Confident	17 Å²	17	76.9 Å²	76.9	8%	0.079	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	103.9	174.4	-61	99.2	0	0	0	110.4	Y572 E574 Y646 R648 E650 F683	Y572-H604 HydrophobicContact CD1-CB 4.07Å; E574-H604 IonicContact OE1-NE2 3.9Å; H604-Y646 AromaticContact NE2-CD1 3.73Å; H604-R648 PolarHBondContact CE1-O 2.81Å; H604-R648 VanDerWaalsContact CE1-O 3.25Å; H604-E650 IonicContact CE1-OE1 3.42Å; H604-E650 IonicContact CG-OE1 2.72Å; H604-E650 VanDerWaalsContact ND1-CD 3.3Å; H604-E650 IonicContact ND1-OE1 3.02Å; H604-E650 PolarHBondContact ND1-OE1 3.01Å; H604-F683 HydrophobicContact CB-CD2 4.18Å; H604-F683 HydrophobicContact CB-CE1 4.22Å; H604-F683 HydrophobicContact CB-CE2 3.78Å; H604-F683 HydrophobicContact CB-CZ 3.82Å; H604-F683 AromaticContact CD2-CD1 3.76Å; H604-F683 AromaticContact CD2-CG 3.82Å; H604-F683 AromaticContact CE1-CD2 3.83Å; H604-F683 AromaticContact CE1-CG 3.61Å; H604-F683 AromaticContact CG-CD2 3.74Å; H604-F683 AromaticContact CG-CE2 3.87Å; H604-F683 AromaticContact CG-CG 3.81Å; H604-F683 AromaticContact ND1-CD2 3.48Å; H604-F683 WeakPolarHBondContact ND1-CD2 3.31Å; H604-F683 AromaticContact ND1-CE2 3.97Å; H604-F683 AromaticContact ND1-CG 3.69Å; H604-F683 AromaticContact NE2-CD1 3.98Å; H604-F683 AromaticContact NE2-CG 3.72Å
605	I	85	Confident	76.1	Confident	70 Å²	70	70.5 Å²	70.5	36%	0.359	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	123.3	-177.5	-58.2	-170	0	0	0	109.9	Y572 K573 L575 D603	Y572-I605 WeakPolarHBondContact CA-O 3.44Å; K573-I605 PolarHBondContact N-O 2.75Å; K573-I605 PolarHBondContact O-N 2.81Å; L575-I605 HydrophobicContact CB-CD1 3.97Å; L575-I605 HydrophobicContact CB-CG1 4.34Å; L575-I605 HydrophobicContact CD1-CB 4.35Å; L575-I605 HydrophobicContact CD1-CD1 3.99Å; L575-I605 HydrophobicContact CD1-CG1 4.47Å; D603-I605 PolarHBondContact O-N 2.74Å
606	P	89.5	Confident	78.2	Confident	26 Å²	26	61.2 Å²	61.2	17%	0.169	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	131.4	175.8	28.1	-33.2	0	0	0	111.3	V570 Y572 Y608	V570-P606 HydrophobicContact CG1-CB 3.79Å; Y572-P606 HydrophobicContact CD1-CB 4.06Å; Y572-P606 HydrophobicContact CE1-CB 3.67Å; Y572-P606 HydrophobicContact CE1-CG 4.22Å; P606-Y608 HydrophobicContact CB-CE2 3.94Å; P606-Y608 HydrophobicContact CG-CE2 4.06Å
607	I	89.8	Confident	80.4	Confident	57 Å²	57	61.1 Å²	61.1	29%	0.292	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	113.4	174.8	-59.4	-178.6	0	0	0	108.1	S571 K573	S571-I607 PolarHBondContact N-O 2.87Å; S571-I607 WeakPolarHBondContact O-CA 3.44Å; S571-I607 WeakPolarHBondContact O-CB 3.19Å; S571-I607 PolarHBondContact O-N 3.39Å; S571-I607 PolarHBondContact OG-O 2.82Å; K573-I607 HydrophobicContact CB-CD1 4.21Å; K573-I607 HydrophobicContact CD-CD1 3.49Å; K573-I607 VanDerWaalsContact CD-CD1 3.49Å; K573-I607 HydrophobicContact CG-CD1 3.74Å
608	Y	90.3	Very high	82.2	Confident	53 Å²	53	55.1 Å²	55.1	21%	0.208	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	129.2	179.8	-60.9	-88.9	0	0	0	110.5	T290 P293 N568 V570 P606	T290-Y608 PolarHBondContact O-OH 2.85Å; P293-Y608 HydrophobicContact CG-CD2 3.73Å; P293-Y608 HydrophobicContact CG-CE2 4.13Å; P293-Y608 HydrophobicContact CG-CG 3.98Å; N568-Y608 HydrophobicContact CB-CD1 4.15Å; V570-Y608 HydrophobicContact CG1-CE1 4.26Å; V570-Y608 HydrophobicContact CG2-CD1 3.73Å; V570-Y608 HydrophobicContact CG2-CE1 3.63Å; P606-Y608 HydrophobicContact CB-CE2 3.94Å; P606-Y608 HydrophobicContact CG-CE2 4.06Å
609	T	91.5	Very high	84	Confident	69 Å²	69	46.8 Å²	46.8	42%	0.423	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.1	172.1	54.1	0	0	0	0	109.6	N568 H569 I611	N568-T609 CarbonylContact C-O 3.55Å; N568-T609 VanDerWaalsContact CA-O 3.24Å; N568-T609 WeakPolarHBondContact CA-O 3.49Å; H569-T609 WeakPolarHBondContact CB-OG1 3.44Å; H569-T609 PolarHBondContact N-O 2.99Å; H569-T609 PolarHBondContact O-N 2.71Å; H569-T609 PolarHBondContact O-OG1 2.92Å; H569-T609 VanDerWaalsContact O-OG1 3.09Å; T609-I611 PolarHBondContact O-N 2.91Å
610	E	91.1	Very high	85.8	Confident	79 Å²	79	42.2 Å²	42.2	37%	0.369	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	122.1	-176.6	-55.1	-173.6	163.9	0	0	110	K566	K566-E610 HydrophobicContact CD-CG 4.21Å; K566-E610 WeakPolarHBondContact CD-OE1 3.39Å; K566-E610 WeakPolarHBondContact CE-OE1 3.16Å; K566-E610 IonicContact NZ-OE1 2.66Å; K566-E610 PolarHBondContact NZ-OE1 2.87Å
611	I	92.1	Very high	87.2	Confident	32 Å²	32	42.8 Å²	42.8	16%	0.164	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-56.4	172.8	-50.6	162.4	0	0	0	109.2	V540 M546 L567 H569 T609	V540-I611 HydrophobicContact CG1-CG2 4.19Å; M546-I611 HydrophobicContact CE-CD1 3.74Å; M546-I611 HydrophobicContact CG-CD1 3.84Å; M546-I611 HydrophobicContact SD-CD1 3.7Å; L567-I611 HydrophobicContact CD2-CD1 4.43Å; L567-I611 HydrophobicContact CG-CD1 4.19Å; L567-I611 WeakPolarHBondContact O-CB 3.42Å; L567-I611 PolarHBondContact O-N 2.95Å; H569-I611 HydrophobicContact CB-CD1 3.92Å; H569-I611 HydrophobicContact CB-CG1 4.04Å; T609-I611 PolarHBondContact O-N 2.91Å
612	L	93.7	Very high	88.6	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	146.7	178.9	-62.7	176.2	0	0	0	109.6	L483 E487 L522 V540 K566 L567 F614	L483-L612 HydrophobicContact CD1-CB 4.32Å; L483-L612 HydrophobicContact CD1-CD2 4.07Å; E487-L612 WeakPolarHBondContact OE1-CD2 3.09Å; L522-L612 HydrophobicContact CD1-CD1 4.14Å; L522-L612 HydrophobicContact CD1-CD2 3.89Å; V540-L612 HydrophobicContact CB-CD1 4.38Å; V540-L612 HydrophobicContact CG2-CD1 3.99Å; V540-L612 HydrophobicContact CG2-CG 4.42Å; K566-L612 WeakPolarHBondContact CA-O 3.28Å; L567-L612 HydrophobicContact CB-CB 4.31Å; L567-L612 HydrophobicContact CD2-CD1 4.41Å; L567-L612 PolarHBondContact N-O 3.47Å; L567-L612 PolarHBondContact O-N 2.74Å; L612-F614 HydrophobicContact CB-CD2 4.41Å; L612-F614 HydrophobicContact CB-CE2 3.84Å; L612-F614 HydrophobicContact CB-CZ 4.03Å; L612-F614 HydrophobicContact CD1-CE2 3.98Å; L612-F614 HydrophobicContact CD1-CZ 3.59Å; L612-F614 HydrophobicContact CG-CZ 4.41Å
613	K	94	Very high	89.5	Confident	19 Å²	19	40.6 Å²	40.6	8%	0.083	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	102.4	178.6	178	171.6	-177.7	177.6	0	109.3	R484 W504 V564 K566	R484-K613 HydrophobicContact CB-CB 3.92Å; R484-K613 HydrophobicContact CB-CD 4.08Å; R484-K613 HydrophobicContact CB-CG 4.06Å; R484-K613 HydrophobicContact CG-CD 4.22Å; R484-K613 PolarHBondContact N-O 2.85Å; W504-K613 HydrophobicContact CH2-CD 4.44Å; W504-K613 HydrophobicContact CH2-CG 4.09Å; W504-K613 HydrophobicContact CZ3-CG 4.45Å; V564-K613 HydrophobicContact CG1-CD 4.41Å; V564-K613 HydrophobicContact CG1-CG 3.97Å; K566-K613 HydrophobicContact CG-CB 4.45Å; K566-K613 HydrophobicContact CG-CD 4.43Å; K566-K613 HydrophobicContact CG-CG 4.14Å
614	F	94.5	Very high	90.1	Very high	1 Å²	1	43.2 Å²	43.2	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	157.7	-177.8	-61.8	-71.2	0	0	0	111.1	L481 W482 L483 V509 I520 L522 V564 F565 L612 F629	L481-F614 HydrophobicContact CB-CD1 4.41Å; L481-F614 HydrophobicContact CD1-CB 4.27Å; L481-F614 HydrophobicContact CD1-CD1 3.89Å; L481-F614 HydrophobicContact CD1-CE1 4.43Å; L481-F614 HydrophobicContact CD1-CG 4.16Å; W482-F614 CarbonylContact O-C 3.52Å; W482-F614 VanDerWaalsContact O-CA 3.25Å; W482-F614 WeakPolarHBondContact O-CA 3.39Å; L483-F614 HydrophobicContact CD1-CD1 4.08Å; L483-F614 HydrophobicContact CD1-CE1 4.06Å; V509-F614 HydrophobicContact CG2-CD1 4.3Å; V509-F614 HydrophobicContact CG2-CE1 3.65Å; V509-F614 HydrophobicContact CG2-CZ 4.29Å; I520-F614 HydrophobicContact CG2-CZ 4.47Å; L522-F614 HydrophobicContact CD2-CE1 3.93Å; L522-F614 HydrophobicContact CD2-CZ 4.09Å; V564-F614 VanDerWaalsContact CA-O 3.31Å; V564-F614 WeakPolarHBondContact CA-O 3.33Å; V564-F614 WeakPolarHBondContact CG1-O 3.2Å; F565-F614 HydrophobicContact CD1-CB 3.98Å; F565-F614 HydrophobicContact CD2-CD2 4.35Å; F565-F614 HydrophobicContact CE1-CB 3.48Å; F565-F614 VanDerWaalsContact CE1-CB 3.48Å; F565-F614 HydrophobicContact CE1-CD2 4.27Å; F565-F614 HydrophobicContact CE1-CG 4.2Å; F565-F614 HydrophobicContact CE2-CB 4.27Å; F565-F614 AromaticContact CE2-CD2 3.57Å; F565-F614 HydrophobicContact CE2-CD2 3.57Å; F565-F614 HydrophobicContact CE2-CE2 4.33Å; F565-F614 HydrophobicContact CE2-CG 4.31Å; F565-F614 HydrophobicContact CZ-CB 3.64Å; F565-F614 AromaticContact CZ-CD2 3.52Å; F565-F614 HydrophobicContact CZ-CD2 3.52Å; F565-F614 HydrophobicContact CZ-CE2 4.39Å; F565-F614 AromaticContact CZ-CG 3.84Å; F565-F614 HydrophobicContact CZ-CG 3.84Å; F565-F614 PolarHBondContact N-O 2.84Å; F565-F614 PolarHBondContact O-N 2.72Å; F565-F614 VanDerWaalsContact O-O 3.08Å; L612-F614 HydrophobicContact CB-CD2 4.41Å; L612-F614 HydrophobicContact CB-CE2 3.84Å; L612-F614 HydrophobicContact CB-CZ 4.03Å; L612-F614 HydrophobicContact CD1-CE2 3.98Å; L612-F614 HydrophobicContact CD1-CZ 3.59Å; L612-F614 HydrophobicContact CG-CZ 4.41Å; F614-F629 HydrophobicContact CE2-CZ 4.4Å
615	G	93.4	Very high	90.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	168	164.4	0	0	0	0	0	113.8	W482 H563	W482-G615 PolarHBondContact N-O 3.45Å; W482-G615 PolarHBondContact O-N 3.08Å; H563-G615 CarbonylContact O-C 3.54Å; H563-G615 WeakPolarHBondContact O-CA 3.26Å
616	S	93.1	Very high	90.7	Very high	4 Å²	4	40.6 Å²	40.6	3%	0.028	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	148.2	-177.4	-178.1	0	0	0	0	109.3	L562 H563 D618	L562-S616 VanDerWaalsContact CD1-O 3.3Å; L562-S616 WeakPolarHBondContact CD1-O 3.48Å; H563-S616 WeakPolarHBondContact CB-O 3.31Å; H563-S616 PolarHBondContact N-O 2.97Å; H563-S616 PolarHBondContact O-N 2.89Å; S616-D618 VanDerWaalsContact C-N 3.34Å; S616-D618 VanDerWaalsContact CB-O 3.28Å; S616-D618 WeakPolarHBondContact CB-O 3.15Å; S616-D618 PolarHBondContact OG-N 3.12Å; S616-D618 VanDerWaalsContact OG-N 3.08Å; S616-D618 PolarHBondContact OG-O 2.64Å
617	L	89.3	Confident	90.7	Very high	96 Å²	96	40 Å²	40	50%	0.503	19%	0.193	S	C	.	.	S	Bend	trans	-76	-28.8	168.2	-65.7	169.6	0	0	0	110.8	L562 L873	L562-L617 HydrophobicContact CD1-CD2 3.77Å; L562-L617 HydrophobicContact CD1-CG 3.91Å; L617-L873 HydrophobicContact CD2-CD2 4.15Å
618	D	87.6	Confident	90.8	Very high	55 Å²	55	37.9 Å²	37.9	29%	0.294	18%	0.183	S	C	.	.			trans	-96.2	122	175.6	167.5	28.7	0	0	0	111	S616 S620 R621	S616-D618 VanDerWaalsContact C-N 3.34Å; S616-D618 VanDerWaalsContact CB-O 3.28Å; S616-D618 WeakPolarHBondContact CB-O 3.15Å; S616-D618 PolarHBondContact OG-N 3.12Å; S616-D618 VanDerWaalsContact OG-N 3.08Å; S616-D618 PolarHBondContact OG-O 2.64Å; D618-S620 VanDerWaalsContact CG-OG 3.24Å; D618-S620 WeakPolarHBondContact OD1-CA 3.28Å; D618-S620 VanDerWaalsContact OD1-CB 3.25Å; D618-S620 WeakPolarHBondContact OD1-CB 3.16Å; D618-S620 PolarHBondContact OD1-N 2.73Å; D618-S620 PolarHBondContact OD1-OG 2.75Å; D618-S620 PolarHBondContact OD2-OG 3.08Å; D618-R621 HydrophobicContact CB-CB 4.34Å; D618-R621 VanDerWaalsContact OD2-CB 3.29Å; D618-R621 WeakPolarHBondContact OD2-CB 3.4Å; D618-R621 PolarHBondContact OD2-N 3.06Å; D618-R621 VanDerWaalsContact OD2-N 3.13Å
619	Q	87.7	Confident	90.8	Very high	20 Å²	20	35.7 Å²	35.7	9%	0.093	18%	0.175	C	C	.	.	H	α-helix	trans	-69.2	-35.4	175.6	-165.4	-173.5	29.1	0	0	112.6	E551 R621 I622 R623	E551-Q619 PolarHBondContact OE1-NE2 3.33Å; Q619-R621 VanDerWaalsContact C-N 3.26Å; Q619-R621 PolarHBondContact O-N 2.9Å; Q619-I622 PolarHBondContact O-N 3.2Å; Q619-I622 VanDerWaalsContact O-N 3.13Å; Q619-R623 HydrophobicContact CG-CG 4.23Å; Q619-R623 VanDerWaalsContact NE2-NH2 3.1Å; Q619-R623 WeakPolarHBondContact O-CG 3.41Å; Q619-R623 PolarHBondContact O-N 3.15Å
620	S	87.5	Confident	90.8	Very high	57 Å²	57	34 Å²	34	40%	0.399	16%	0.162	S	C	.	.	H	α-helix	trans	-62.6	-35.8	-177.4	84.5	0	0	0	0	111.6	D618 R623 R624	D618-S620 VanDerWaalsContact CG-OG 3.24Å; D618-S620 WeakPolarHBondContact OD1-CA 3.28Å; D618-S620 VanDerWaalsContact OD1-CB 3.25Å; D618-S620 WeakPolarHBondContact OD1-CB 3.16Å; D618-S620 PolarHBondContact OD1-N 2.73Å; D618-S620 PolarHBondContact OD1-OG 2.75Å; D618-S620 PolarHBondContact OD2-OG 3.08Å; S620-R623 PolarHBondContact O-N 3.36Å; S620-R624 WeakPolarHBondContact O-CB 3.41Å; S620-R624 WeakPolarHBondContact O-CG 3.49Å; S620-R624 PolarHBondContact O-N 3.15Å; S620-R624 PolarHBondContact O-NE 3.27Å
621	R	89	Confident	90.8	Very high	84 Å²	84	32.4 Å²	32.4	32%	0.317	16%	0.156	S	C	.	.	H	α-helix	trans	-60.1	-46.8	172.7	-169.8	177.6	-57.6	-170.8	1.8	112.4	W479 R480 L481 D618 Q619 L625	W479-R621 HydrophobicContact CE3-CG 3.67Å; W479-R621 HydrophobicContact CZ3-CG 3.88Å; W479-R621 WeakPolarHBondContact CZ3-O 3.13Å; R480-R621 WeakPolarHBondContact O-CD 3.4Å; R480-R621 PolarHBondContact O-NH1 3.19Å; L481-R621 HydrophobicContact CD2-CG 4.29Å; D618-R621 HydrophobicContact CB-CB 4.34Å; D618-R621 VanDerWaalsContact OD2-CB 3.29Å; D618-R621 WeakPolarHBondContact OD2-CB 3.4Å; D618-R621 PolarHBondContact OD2-N 3.06Å; D618-R621 VanDerWaalsContact OD2-N 3.13Å; Q619-R621 VanDerWaalsContact C-N 3.26Å; Q619-R621 PolarHBondContact O-N 2.9Å; R621-L625 VanDerWaalsContact O-CB 3.31Å; R621-L625 WeakPolarHBondContact O-CB 3.49Å; R621-L625 PolarHBondContact O-N 3.4Å
622	I	89.9	Confident	90.7	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.7	-44.6	177.1	-72	172.4	0	0	0	110.6	E551 H563 F565 Q619 R624 L625 M626	E551-I622 HydrophobicContact CB-CG2 4.33Å; H563-I622 HydrophobicContact CB-CD1 3.54Å; H563-I622 WeakPolarHBondContact O-CD1 3.47Å; F565-I622 HydrophobicContact CD1-CB 4.48Å; F565-I622 HydrophobicContact CD1-CD1 4.05Å; F565-I622 HydrophobicContact CD1-CG1 3.97Å; F565-I622 HydrophobicContact CD1-CG2 3.75Å; F565-I622 HydrophobicContact CE1-CD1 4.45Å; F565-I622 HydrophobicContact CE1-CG1 3.98Å; F565-I622 HydrophobicContact CE1-CG2 4.22Å; F565-I622 HydrophobicContact CG-CG2 4.44Å; Q619-I622 PolarHBondContact O-N 3.2Å; Q619-I622 VanDerWaalsContact O-N 3.13Å; I622-R624 VanDerWaalsContact C-N 3.29Å; I622-R624 PolarHBondContact O-N 3.16Å; I622-L625 PolarHBondContact O-N 2.84Å; I622-L625 VanDerWaalsContact O-N 3.15Å; I622-M626 HydrophobicContact CG2-CG 3.98Å; I622-M626 HydrophobicContact CG2-SD 3.7Å; I622-M626 WeakPolarHBondContact O-CG 3.24Å; I622-M626 PolarHBondContact O-N 3.07Å
623	R	88.8	Confident	90.6	Very high	49 Å²	49	32.5 Å²	32.5	19%	0.185	16%	0.157	C	C	.	.	H	α-helix	trans	-65.2	-29	-179.1	-71.6	176.3	169.9	-146.3	-19.4	113.8	E551 Q619 S620 P627 E922	E551-R623 IonicContact OE1-CZ 2.73Å; E551-R623 VanDerWaalsContact OE1-CZ 3.23Å; E551-R623 IonicContact OE1-NE 3.26Å; E551-R623 PolarHBondContact OE1-NE 2.82Å; E551-R623 IonicContact OE1-NH2 2.78Å; E551-R623 PolarHBondContact OE1-NH2 2.9Å; E551-R623 IonicContact OE2-NE 3.2Å; Q619-R623 HydrophobicContact CG-CG 4.23Å; Q619-R623 VanDerWaalsContact NE2-NH2 3.1Å; Q619-R623 WeakPolarHBondContact O-CG 3.41Å; Q619-R623 PolarHBondContact O-N 3.15Å; S620-R623 PolarHBondContact O-N 3.36Å; R623-P627 WeakPolarHBondContact O-CD 3.46Å; R623-P627 WeakPolarHBondContact O-CG 3.14Å; R623-E922 IonicContact CZ-OE1 2.74Å; R623-E922 IonicContact CZ-OE2 3.54Å; R623-E922 IonicContact NH1-OE1 3.65Å; R623-E922 PolarHBondContact NH1-OE1 3.17Å; R623-E922 IonicContact NH2-OE1 3.12Å; R623-E922 PolarHBondContact NH2-OE1 2.92Å; R623-E922 IonicContact NH2-OE2 3.73Å; R623-E922 PolarHBondContact NH2-OE2 2.78Å
624	R	89.6	Confident	90.5	Very high	118 Å²	118	31.7 Å²	31.7	45%	0.445	15%	0.154	S	C	.	.	H	α-helix	trans	-78.2	-36.1	170.5	-73.7	-176	-72.1	153.8	-9.5	113.1	W479 S620 I622	W479-R624 HydrophobicContact CH2-CB 3.77Å; W479-R624 HydrophobicContact CZ3-CB 4.06Å; S620-R624 WeakPolarHBondContact O-CB 3.41Å; S620-R624 WeakPolarHBondContact O-CG 3.49Å; S620-R624 PolarHBondContact O-N 3.15Å; S620-R624 PolarHBondContact O-NE 3.27Å; I622-R624 VanDerWaalsContact C-N 3.29Å; I622-R624 PolarHBondContact O-N 3.16Å
625	L	90.6	Very high	90.2	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.021	18%	0.18	C	C	.	.	H	α-helix	trans	-77.5	-35.9	-178.2	178.2	60.6	0	0	0	113.9	W479 L481 F565 R621 I622 V628 F629	W479-L625 HydrophobicContact CB-CD2 4.24Å; W479-L625 HydrophobicContact CD2-CB 4.16Å; W479-L625 HydrophobicContact CD2-CD1 3.86Å; W479-L625 HydrophobicContact CD2-CD2 4.32Å; W479-L625 HydrophobicContact CD2-CG 4.33Å; W479-L625 HydrophobicContact CE3-CB 3.83Å; W479-L625 HydrophobicContact CE3-CD1 4.4Å; W479-L625 HydrophobicContact CE3-CD2 4.34Å; W479-L625 HydrophobicContact CE3-CG 4.41Å; W479-L625 HydrophobicContact CG-CD1 3.87Å; W479-L625 HydrophobicContact CG-CD2 4.23Å; W479-L625 HydrophobicContact CZ3-CB 4.04Å; L481-L625 HydrophobicContact CD1-CD2 3.44Å; L481-L625 VanDerWaalsContact CD1-CD2 3.44Å; L481-L625 HydrophobicContact CD2-CD2 4.39Å; L481-L625 HydrophobicContact CG-CD2 4.38Å; F565-L625 HydrophobicContact CZ-CD2 4.06Å; R621-L625 VanDerWaalsContact O-CB 3.31Å; R621-L625 WeakPolarHBondContact O-CB 3.49Å; R621-L625 PolarHBondContact O-N 3.4Å; I622-L625 PolarHBondContact O-N 2.84Å; I622-L625 VanDerWaalsContact O-N 3.15Å; L625-V628 HydrophobicContact CD1-CB 4.49Å; L625-V628 WeakPolarHBondContact O-CB 3.33Å; L625-V628 PolarHBondContact O-N 2.99Å; L625-F629 HydrophobicContact CD1-CD2 4.2Å; L625-F629 HydrophobicContact CD1-CE2 3.77Å; L625-F629 HydrophobicContact CD1-CZ 4.2Å; L625-F629 HydrophobicContact CD2-CE2 3.75Å; L625-F629 HydrophobicContact CD2-CZ 4.42Å; L625-F629 HydrophobicContact CG-CD2 3.95Å; L625-F629 HydrophobicContact CG-CE2 3.54Å; L625-F629 HydrophobicContact CG-CZ 4.38Å; L625-F629 PolarHBondContact O-N 3.18Å
626	M	90.9	Very high	89.9	Confident	28 Å²	28	38 Å²	38	14%	0.138	18%	0.182	C	C	.	.	H	α-helix	trans	-56.9	-46.4	-178.3	-77.7	-178	67.8	0	0	113.1	S549 F565 I622 V628 F629 E630	S549-M626 WeakPolarHBondContact O-CE 3.49Å; F565-M626 HydrophobicContact CB-SD 4.46Å; F565-M626 HydrophobicContact CD2-CG 4.46Å; I622-M626 HydrophobicContact CG2-CG 3.98Å; I622-M626 HydrophobicContact CG2-SD 3.7Å; I622-M626 WeakPolarHBondContact O-CG 3.24Å; I622-M626 PolarHBondContact O-N 3.07Å; M626-V628 VanDerWaalsContact C-N 3.27Å; M626-V628 PolarHBondContact O-N 3.15Å; M626-F629 PolarHBondContact O-N 2.88Å; M626-F629 VanDerWaalsContact O-N 3.15Å; M626-E630 WeakPolarHBondContact O-CG 3.41Å; M626-E630 PolarHBondContact O-N 3.44Å
627	P	90.7	Very high	89.4	Confident	13 Å²	13	40.3 Å²	40.3	8%	0.084	20%	0.196	C	C	.	.	H	α-helix	trans	-54.8	-36.8	172.7	-28.7	36.3	0	0	0	114.3	H470 R623 F629 E630 D631	H470-P627 HydrophobicContact CB-CB 4.49Å; R623-P627 WeakPolarHBondContact O-CD 3.46Å; R623-P627 WeakPolarHBondContact O-CG 3.14Å; P627-F629 VanDerWaalsContact C-N 3.33Å; P627-F629 PolarHBondContact O-N 2.81Å; P627-E630 PolarHBondContact O-N 3.18Å; P627-D631 WeakPolarHBondContact O-CB 3.39Å; P627-D631 VanDerWaalsContact O-CG 3.3Å; P627-D631 PolarHBondContact O-N 2.81Å
628	V	90.9	Very high	88.8	Confident	13 Å²	13	38.3 Å²	38.3	8%	0.079	19%	0.19	C	C	.	.	H	α-helix	trans	-64.5	-38.2	179	-173.7	0	0	0	0	111.5	V473 L511 L625 M626 A632	V473-V628 HydrophobicContact CB-CG2 3.9Å; V473-V628 HydrophobicContact CG1-CG2 3.67Å; V473-V628 HydrophobicContact CG2-CG2 4.36Å; L511-V628 HydrophobicContact CD2-CG1 3.77Å; L625-V628 HydrophobicContact CD1-CB 4.49Å; L625-V628 WeakPolarHBondContact O-CB 3.33Å; L625-V628 PolarHBondContact O-N 2.99Å; M626-V628 VanDerWaalsContact C-N 3.27Å; M626-V628 PolarHBondContact O-N 3.15Å; V628-A632 WeakPolarHBondContact O-CB 3.31Å; V628-A632 PolarHBondContact O-N 3.43Å; V628-A632 VanDerWaalsContact O-N 3.13Å
629	F	91.6	Very high	87.8	Confident	6 Å²	6	38.9 Å²	38.9	3%	0.026	19%	0.191	C	C	.	.	H	α-helix	trans	-70.9	-37.9	172.3	-72.6	-57.6	0	0	0	112.5	V509 I520 I542 L548 F565 F614 L625 M626 P627 A632 L633	V509-F629 HydrophobicContact CG1-CZ 4.35Å; I520-F629 HydrophobicContact CD1-CD1 4.02Å; I520-F629 HydrophobicContact CD1-CE1 3.53Å; I520-F629 HydrophobicContact CD1-CZ 4.37Å; I520-F629 HydrophobicContact CG1-CD1 4.41Å; I520-F629 HydrophobicContact CG1-CE1 3.79Å; I520-F629 HydrophobicContact CG2-CE1 4.12Å; I520-F629 HydrophobicContact CG2-CZ 4.39Å; I542-F629 HydrophobicContact CD1-CD1 4.45Å; L548-F629 HydrophobicContact CD1-CB 3.7Å; L548-F629 HydrophobicContact CD2-CB 4.14Å; L548-F629 HydrophobicContact CD2-CD2 4.43Å; L548-F629 HydrophobicContact CD2-CG 4.42Å; L548-F629 HydrophobicContact CG-CB 4.41Å; F565-F629 HydrophobicContact CE2-CD2 4.11Å; F565-F629 AromaticContact CE2-CE2 3.87Å; F565-F629 HydrophobicContact CE2-CE2 3.87Å; F565-F629 HydrophobicContact CZ-CD2 4.43Å; F565-F629 AromaticContact CZ-CE2 3.88Å; F565-F629 HydrophobicContact CZ-CE2 3.88Å; F614-F629 HydrophobicContact CE2-CZ 4.4Å; L625-F629 HydrophobicContact CD1-CD2 4.2Å; L625-F629 HydrophobicContact CD1-CE2 3.77Å; L625-F629 HydrophobicContact CD1-CZ 4.2Å; L625-F629 HydrophobicContact CD2-CE2 3.75Å; L625-F629 HydrophobicContact CD2-CZ 4.42Å; L625-F629 HydrophobicContact CG-CD2 3.95Å; L625-F629 HydrophobicContact CG-CE2 3.54Å; L625-F629 HydrophobicContact CG-CZ 4.38Å; L625-F629 PolarHBondContact O-N 3.18Å; M626-F629 PolarHBondContact O-N 2.88Å; M626-F629 VanDerWaalsContact O-N 3.15Å; P627-F629 VanDerWaalsContact C-N 3.33Å; P627-F629 PolarHBondContact O-N 2.81Å; F629-A632 WeakPolarHBondContact O-CB 3.44Å; F629-A632 PolarHBondContact O-N 2.68Å; F629-L633 VanDerWaalsContact O-CG 3.31Å; F629-L633 WeakPolarHBondContact O-CG 3.38Å; F629-L633 PolarHBondContact O-N 3Å
630	E	91.7	Very high	86.6	Confident	33 Å²	33	45.5 Å²	45.5	15%	0.154	22%	0.22	C	C	.	.	H	α-helix	trans	-65.2	-42.1	176.2	-67.3	-176.2	158.1	0	0	111.9	L548 M626 P627 A632 L633 M634 R677	L548-E630 HydrophobicContact CD1-CG 3.71Å; M626-E630 WeakPolarHBondContact O-CG 3.41Å; M626-E630 PolarHBondContact O-N 3.44Å; P627-E630 PolarHBondContact O-N 3.18Å; E630-A632 VanDerWaalsContact C-N 3.28Å; E630-A632 PolarHBondContact O-N 3.06Å; E630-L633 PolarHBondContact O-N 3.18Å; E630-M634 PolarHBondContact O-N 2.83Å; E630-R677 VanDerWaalsContact CD-NH2 3.32Å; E630-R677 IonicContact OE1-NH1 3.84Å; E630-R677 PolarHBondContact OE1-NH1 2.79Å; E630-R677 IonicContact OE1-NH2 2.9Å; E630-R677 IonicContact OE2-CZ 3.53Å; E630-R677 IonicContact OE2-NH1 3.23Å; E630-R677 PolarHBondContact OE2-NH1 3.48Å; E630-R677 IonicContact OE2-NH2 2.72Å; E630-R677 PolarHBondContact OE2-NH2 3.3Å
631	D	90.6	Very high	85.3	Confident	46 Å²	46	47.9 Å²	47.9	25%	0.246	23%	0.228	C	C	.	.	H	α-helix	trans	-61.7	-36	172.9	-73.7	-10	0	0	0	112.3	P627 K635 R755	P627-D631 WeakPolarHBondContact O-CB 3.39Å; P627-D631 VanDerWaalsContact O-CG 3.3Å; P627-D631 PolarHBondContact O-N 2.81Å; D631-K635 WeakPolarHBondContact O-CB 3.44Å; D631-K635 WeakPolarHBondContact O-CG 3.19Å; D631-K635 PolarHBondContact O-N 2.84Å; D631-R755 IonicContact OD1-CZ 2.78Å; D631-R755 IonicContact OD1-NH1 3.57Å; D631-R755 PolarHBondContact OD1-NH1 2.93Å; D631-R755 IonicContact OD1-NH2 2.73Å; D631-R755 PolarHBondContact OD1-NH2 2.78Å
632	A	90.6	Very high	84	Confident	4 Å²	4	50.3 Å²	50.3	3%	0.033	25%	0.252	C	S	.	.	H	α-helix	trans	-70.6	-34.1	175.3	0	0	0	0	0	112.8	L511 K518 I542 V628 F629 E630 I636	L511-A632 HydrophobicContact CD2-CB 4.19Å; K518-A632 HydrophobicContact CB-CB 3.98Å; K518-A632 HydrophobicContact CD-CB 3.56Å; K518-A632 HydrophobicContact CG-CB 4.38Å; I542-A632 HydrophobicContact CD1-CB 3.55Å; V628-A632 WeakPolarHBondContact O-CB 3.31Å; V628-A632 PolarHBondContact O-N 3.43Å; V628-A632 VanDerWaalsContact O-N 3.13Å; F629-A632 WeakPolarHBondContact O-CB 3.44Å; F629-A632 PolarHBondContact O-N 2.68Å; E630-A632 VanDerWaalsContact C-N 3.28Å; E630-A632 PolarHBondContact O-N 3.06Å; A632-I636 WeakPolarHBondContact O-CG1 3.17Å
633	L	91	Very high	82.9	Confident	32 Å²	32	52.7 Å²	52.7	17%	0.168	27%	0.269	C	S	.	.	H	α-helix	trans	-72.7	-36.3	175.1	-73.7	163.7	0	0	0	112.3	I542 M546 L548 F629 E630 I636	I542-L633 HydrophobicContact CG2-CD2 3.51Å; I542-L633 HydrophobicContact CG2-CG 4.01Å; M546-L633 HydrophobicContact CB-CD2 3.96Å; M546-L633 WeakPolarHBondContact O-CD2 3.21Å; L548-L633 HydrophobicContact CG-CD1 4.31Å; F629-L633 VanDerWaalsContact O-CG 3.31Å; F629-L633 WeakPolarHBondContact O-CG 3.38Å; F629-L633 PolarHBondContact O-N 3Å; E630-L633 PolarHBondContact O-N 3.18Å; L633-I636 HydrophobicContact CD2-CD1 4.32Å; L633-I636 WeakPolarHBondContact O-CD1 3.48Å; L633-I636 VanDerWaalsContact O-CG1 3.32Å; L633-I636 WeakPolarHBondContact O-CG1 3.39Å
634	M	91	Very high	82.2	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-74	-31.1	178.6	-176.4	172.5	-179.6	0	0	113.1	E630 I636 E725 H727 E752 R755	E630-M634 PolarHBondContact O-N 2.83Å; M634-I636 VanDerWaalsContact C-N 3.31Å; M634-I636 PolarHBondContact O-N 2.78Å; M634-E725 HydrophobicContact CE-CB 4.16Å; M634-E725 WeakPolarHBondContact CE-O 3.4Å; M634-H727 PolarHBondContact O-CD2 3.34Å; M634-E752 HydrophobicContact CB-CB 4.35Å; M634-E752 HydrophobicContact CE-CG 4.35Å; M634-E752 HydrophobicContact CG-CB 4.23Å; M634-E752 HydrophobicContact CG-CG 4.27Å; M634-E752 HydrophobicContact SD-CB 4.37Å; M634-E752 HydrophobicContact SD-CG 3.76Å; M634-R755 HydrophobicContact CE-CG 4.01Å; M634-R755 VanDerWaalsContact SD-CD 3.51Å; M634-R755 HydrophobicContact SD-CG 3.92Å; M634-R755 VanDerWaalsContact SD-CZ 3.54Å; M634-R755 PolarHBondContact SD-NE 3.06Å; M634-R755 VanDerWaalsContact SD-NE 3.4Å
635	K	88	Confident	81.9	Confident	129 Å²	129	56 Å²	56	56%	0.561	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	16.5	-177.2	-66.2	178.3	179.8	-179.5	0	113.7	D631	D631-K635 WeakPolarHBondContact O-CB 3.44Å; D631-K635 WeakPolarHBondContact O-CG 3.19Å; D631-K635 PolarHBondContact O-N 2.84Å
636	I	87.5	Confident	81.6	Confident	6 Å²	6	57.1 Å²	57.1	3%	0.031	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-66.5	135.2	177	-60.3	173	0	0	0	109.5	I542 E543 P544 A632 L633 M634 S638 S728	I542-I636 HydrophobicContact CG2-CD1 3.98Å; I542-I636 HydrophobicContact CG2-CG1 4.38Å; E543-I636 VanDerWaalsContact C-CD1 3.5Å; P544-I636 HydrophobicContact CG-CD1 4.2Å; P544-I636 HydrophobicContact CG-CG2 4.04Å; A632-I636 WeakPolarHBondContact O-CG1 3.17Å; L633-I636 HydrophobicContact CD2-CD1 4.32Å; L633-I636 WeakPolarHBondContact O-CD1 3.48Å; L633-I636 VanDerWaalsContact O-CG1 3.32Å; L633-I636 WeakPolarHBondContact O-CG1 3.39Å; M634-I636 VanDerWaalsContact C-N 3.31Å; M634-I636 PolarHBondContact O-N 2.78Å; I636-S638 PolarHBondContact O-N 2.77Å; I636-S728 PolarHBondContact O-OG 2.73Å
637	P	83.3	Confident	81.3	Confident	51 Å²	51	60.1 Å²	60.1	33%	0.331	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-62.4	122	171.4	-23.8	34.7	0	0	0	112.1	G516 R517 H639	G516-P637 WeakPolarHBondContact O-CG 3.25Å; R517-P637 HydrophobicContact CG-CG 4.29Å; P637-H639 PolarHBondContact O-N 3.27Å; P637-H639 PolarHBondContact O-ND1 3.34Å
638	S	76.1	Confident	81	Confident	54 Å²	54	61.1 Å²	61.1	38%	0.378	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-63.2	134.2	172.7	71.7	0	0	0	0	109.7	I636 S728	I636-S638 PolarHBondContact O-N 2.77Å; S638-S728 PolarHBondContact N-OG 2.93Å; S638-S728 PolarHBondContact OG-O 2.79Å
639	H	66.4	Low	81	Confident	68 Å²	68	62.3 Å²	62.3	32%	0.315	33%	0.333	S	S	.	.			trans	-129.5	140.2	171.5	46.1	-58.6	0	0	0	107.7	R517 P637 D641	R517-H639 PolarHBondContact NH2-CE1 2.97Å; R517-H639 PolarHBondContact NH2-ND1 2.88Å; P637-H639 PolarHBondContact O-N 3.27Å; P637-H639 PolarHBondContact O-ND1 3.34Å; H639-D641 VanDerWaalsContact C-N 3.26Å; H639-D641 IonicContact CD2-OD1 2.72Å; H639-D641 PolarHBondContact CD2-OD1 2.88Å; H639-D641 VanDerWaalsContact CD2-OD1 3.27Å; H639-D641 IonicContact CD2-OD2 2.74Å; H639-D641 IonicContact NE2-OD1 3.71Å; H639-D641 IonicContact NE2-OD2 2.68Å; H639-D641 PolarHBondContact O-N 3.38Å
640	K	62.8	Low	80.9	Confident	159 Å²	159	62.9 Å²	62.9	69%	0.691	34%	0.336	S	S	*	.			trans	-75.5	86.8	173	-69.3	-167.6	174.9	-167.5	0	107.9	Y744	K640-Y744 VanDerWaalsContact NZ-CE2 3.27Å; K640-Y744 PolarHBondContact NZ-OH 3.29Å
641	D	60.4	Low	81	Confident	107 Å²	107	61.3 Å²	61.3	57%	0.572	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-60.8	159.2	166.4	-78	-39.2	0	0	0	110.5	H639 S643	H639-D641 VanDerWaalsContact C-N 3.26Å; H639-D641 IonicContact CD2-OD1 2.72Å; H639-D641 PolarHBondContact CD2-OD1 2.88Å; H639-D641 VanDerWaalsContact CD2-OD1 3.27Å; H639-D641 IonicContact CD2-OD2 2.74Å; H639-D641 IonicContact NE2-OD1 3.71Å; H639-D641 IonicContact NE2-OD2 2.68Å; H639-D641 PolarHBondContact O-N 3.38Å; D641-S643 PolarHBondContact O-N 2.83Å; D641-S643 VanDerWaalsContact O-N 3.14Å
642	T	62.9	Low	81.1	Confident	134 Å²	134	59.8 Å²	59.8	82%	0.822	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-65.3	116.6	175	-59.3	0	0	0	0	108.3	L644	T642-L644 PolarHBondContact O-N 2.95Å
643	S	65.8	Low	81.3	Confident	50 Å²	50	59.7 Å²	59.7	35%	0.35	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-53.3	129.2	-177.4	47.1	0	0	0	0	111.1	D641	D641-S643 PolarHBondContact O-N 2.83Å; D641-S643 VanDerWaalsContact O-N 3.14Å
644	L	74.8	Confident	81.5	Confident	95 Å²	95	60.5 Å²	60.5	50%	0.497	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-76.1	155.4	173.9	-67.2	165.3	0	0	0	109	T642 Y646 N685 D747	T642-L644 PolarHBondContact O-N 2.95Å; L644-Y646 HydrophobicContact CB-CE1 4.2Å; L644-Y646 HydrophobicContact CB-CE2 3.74Å; L644-Y646 WeakPolarHBondContact CD1-OH 3.07Å; L644-N685 PolarHBondContact O-OD1 3.09Å; L644-D747 WeakPolarHBondContact CB-OD2 3.39Å; L644-D747 PolarHBondContact N-OD2 2.74Å
645	N	82.2	Confident	81.7	Confident	141 Å²	141	60.5 Å²	60.5	75%	0.754	32%	0.321	S	S	*	.			trans	-107.7	113.3	174.1	-71.6	-40.3	0	0	0	108.8	N685	N645-N685 VanDerWaalsContact CA-OD1 3.29Å; N645-N685 WeakPolarHBondContact CA-OD1 3.49Å
646	Y	84.7	Confident	82	Confident	29 Å²	29	54.8 Å²	54.8	11%	0.114	30%	0.297	C	S	.	.			trans	-99.8	144	178.8	-54.8	-79.8	0	0	0	111.1	E574 H604 L644 R648 F683 N685 D747 G748	E574-Y646 WeakPolarHBondContact OE1-CA 3.09Å; E574-Y646 WeakPolarHBondContact OE1-CB 3.2Å; H604-Y646 AromaticContact NE2-CD1 3.73Å; L644-Y646 HydrophobicContact CB-CE1 4.2Å; L644-Y646 HydrophobicContact CB-CE2 3.74Å; L644-Y646 WeakPolarHBondContact CD1-OH 3.07Å; Y646-R648 VanDerWaalsContact C-N 3.33Å; Y646-R648 WeakPolarHBondContact CB-O 3.48Å; Y646-F683 HydrophobicContact CD1-CB 3.97Å; Y646-F683 HydrophobicContact CD1-CD1 4.1Å; Y646-F683 HydrophobicContact CD1-CG 4.49Å; Y646-F683 HydrophobicContact CD2-CB 4.05Å; Y646-F683 HydrophobicContact CE1-CB 4.12Å; Y646-F683 AromaticContact CE1-CD1 3.59Å; Y646-F683 HydrophobicContact CE1-CD1 3.59Å; Y646-F683 HydrophobicContact CE1-CG 4.33Å; Y646-F683 HydrophobicContact CE2-CB 4.18Å; Y646-F683 HydrophobicContact CG-CB 3.92Å; Y646-F683 AromaticContact CZ-CD1 3.88Å; Y646-N685 PolarHBondContact N-OD1 2.85Å; Y646-N685 PolarHBondContact O-ND2 2.89Å; Y646-D747 WeakPolarHBondContact CE2-OD1 3.33Å; Y646-D747 VanDerWaalsContact CZ-OD1 3.29Å; Y646-D747 PolarHBondContact OH-OD1 3.32Å; Y646-D747 PolarHBondContact OH-OD2 3.33Å; Y646-G748 WeakPolarHBondContact OH-CA 3.45Å; Y646-G748 PolarHBondContact OH-N 2.81Å; Y646-G748 VanDerWaalsContact OH-N 3.17Å
647	S	85.3	Confident	82.4	Confident	90 Å²	90	54.5 Å²	54.5	63%	0.629	30%	0.296	S	S	*	.	S	Bend	trans	-78.2	-18.8	175.6	-171.3	0	0	0	0	113.1	E574	E574-S647 PolarHBondContact OE1-N 2.81Å; E574-S647 WeakPolarHBondContact OE2-CB 3.47Å
648	R	84.7	Confident	82.9	Confident	34 Å²	34	53 Å²	53	13%	0.128	28%	0.284	C	S	.	.	S	Bend	trans	-134.2	130.2	173.4	-175.4	-172.9	-172.4	-167.4	-6.2	107.6	L602 D603 H604 Y646 E650 E947	L602-R648 WeakPolarHBondContact O-CD 3.48Å; L602-R648 PolarHBondContact O-NH1 2.87Å; D603-R648 IonicContact OD1-CZ 3.14Å; D603-R648 IonicContact OD1-NH1 3.46Å; D603-R648 PolarHBondContact OD1-NH1 2.86Å; H604-R648 PolarHBondContact CE1-O 2.81Å; H604-R648 VanDerWaalsContact CE1-O 3.25Å; Y646-R648 VanDerWaalsContact C-N 3.33Å; Y646-R648 WeakPolarHBondContact CB-O 3.48Å; R648-E650 IonicContact CZ-OE2 3.07Å; R648-E947 IonicContact CZ-OE1 2.71Å; R648-E947 VanDerWaalsContact CZ-OE1 3.22Å; R648-E947 IonicContact CZ-OE2 2.74Å; R648-E947 IonicContact NE-OE1 2.63Å; R648-E947 PolarHBondContact NE-OE1 3.41Å; R648-E947 IonicContact NE-OE2 3.56Å; R648-E947 IonicContact NH2-OE1 2.73Å; R648-E947 PolarHBondContact NH2-OE1 2.83Å; R648-E947 IonicContact NH2-OE2 3.51Å; R648-E947 PolarHBondContact NH2-OE2 3.4Å
649	E	89.5	Confident	83.8	Confident	38 Å²	38	50.6 Å²	50.6	18%	0.178	27%	0.267	C	S	.	.			trans	-95.1	125.7	177.6	-64.8	169.9	-177.7	0	0	109.8	F683 N685 T943 V946 E947	E649-F683 CarbonylContact C-O 3.55Å; E649-F683 WeakPolarHBondContact CA-O 3.43Å; E649-N685 WeakPolarHBondContact OE1-CB 3.31Å; E649-N685 PolarHBondContact OE1-ND2 3.19Å; E649-T943 WeakPolarHBondContact OE2-CB 3.43Å; E649-T943 WeakPolarHBondContact OE2-CG2 3.29Å; E649-V946 HydrophobicContact CB-CB 4.4Å; E649-V946 HydrophobicContact CB-CG1 4.3Å; E649-V946 HydrophobicContact CB-CG2 3.94Å; E649-E947 PolarHBondContact O-N 2.94Å
650	E	90.4	Very high	85.1	Confident	18 Å²	18	49 Å²	49	8%	0.084	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	148.2	175	73.8	-174.7	-177.1	0	0	113	H604 R648 F683 E947 F949	H604-E650 IonicContact CE1-OE1 3.42Å; H604-E650 IonicContact CG-OE1 2.72Å; H604-E650 VanDerWaalsContact ND1-CD 3.3Å; H604-E650 IonicContact ND1-OE1 3.02Å; H604-E650 PolarHBondContact ND1-OE1 3.01Å; R648-E650 IonicContact CZ-OE2 3.07Å; E650-F683 HydrophobicContact CG-CD2 3.71Å; E650-F683 HydrophobicContact CG-CE2 4.49Å; E650-F683 PolarHBondContact N-O 3.06Å; E650-F683 PolarHBondContact O-N 3.12Å; E650-E947 CarbonylContact C-O 3.58Å; E650-E947 VanDerWaalsContact CA-O 3.23Å; E650-E947 WeakPolarHBondContact CA-O 3.49Å; E650-E947 HydrophobicContact CB-CB 4.13Å; E650-F949 HydrophobicContact CB-CE2 4.19Å
651	V	92.6	Very high	86.5	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	119.5	174.9	177.3	0	0	0	0	108.6	A682 V684 I690 I938 V940 V946 E947 K948 F949	V651-A682 HydrophobicContact CG2-CB 4.03Å; V651-V684 HydrophobicContact CG2-CG1 3.69Å; V651-I690 HydrophobicContact CG1-CD1 4.2Å; V651-I690 HydrophobicContact CG2-CD1 3.81Å; V651-I938 HydrophobicContact CB-CG2 4.36Å; V651-I938 HydrophobicContact CG1-CG2 3.97Å; V651-V940 HydrophobicContact CG2-CG2 4.1Å; V651-V946 HydrophobicContact CB-CG1 4.47Å; V651-V946 HydrophobicContact CG2-CG1 3.9Å; V651-E947 PolarHBondContact N-O 3.04Å; V651-K948 WeakPolarHBondContact O-CA 3.48Å; V651-F949 PolarHBondContact O-N 2.87Å
652	C	93.6	Very high	88.1	Confident	15 Å²	15	41 Å²	41	10%	0.101	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	130.8	173.2	-47.3	0	0	0	0	110.9	Y654 T681 F949	C652-Y654 HydrophobicContact CB-CE2 4.05Å; C652-T681 WeakPolarHBondContact CB-OG1 3.24Å; C652-T681 PolarHBondContact N-O 3.09Å; C652-T681 PolarHBondContact O-N 3.45Å; C652-T681 PolarHBondContact O-OG1 3.47Å; C652-F949 CarbonylContact C-O 3.46Å; C652-F949 WeakPolarHBondContact CA-O 3.29Å; C652-F949 HydrophobicContact CB-CB 4.13Å; C652-F949 VanDerWaalsContact SG-CD2 3.56Å
653	C	94.8	Very high	89.6	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.007	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	138.1	168.5	-66.7	0	0	0	0	110.4	F679 I938 F949 V950 K951	C653-F679 CarbonylContact C-O 3.54Å; C653-F679 WeakPolarHBondContact CA-O 3.44Å; C653-I938 HydrophobicContact CB-CD1 4.32Å; C653-F949 PolarHBondContact N-O 2.86Å; C653-V950 HydrophobicContact CB-CG2 4.31Å; C653-V950 CarbonylContact O-C 3.59Å; C653-V950 VanDerWaalsContact O-CA 3.3Å; C653-V950 WeakPolarHBondContact O-CA 3.47Å; C653-K951 PolarHBondContact O-N 3.15Å
654	Y	94.8	Very high	90.9	Very high	50 Å²	50	34.5 Å²	34.5	20%	0.196	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	111.3	175.8	-53.5	-95.1	0	0	0	109.1	C652 I678 F679 T681 K951	C652-Y654 HydrophobicContact CB-CE2 4.05Å; Y654-I678 WeakPolarHBondContact O-CA 3.41Å; Y654-F679 HydrophobicContact CD2-CB 4.26Å; Y654-F679 PolarHBondContact N-O 2.83Å; Y654-F679 PolarHBondContact O-N 3.49Å; Y654-T681 HydrophobicContact CE2-CG2 4.11Å; Y654-K951 CarbonylContact C-O 3.5Å; Y654-K951 WeakPolarHBondContact CA-O 3.34Å; Y654-K951 HydrophobicContact CD1-CB 3.89Å; Y654-K951 HydrophobicContact CD1-CD 4.25Å; Y654-K951 HydrophobicContact CD1-CG 4.42Å; Y654-K951 HydrophobicContact CE1-CB 4.32Å; Y654-K951 HydrophobicContact CE1-CD 4.29Å
655	V	95.2	Very high	91.8	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.012	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	116.1	172	-176.6	0	0	0	0	107.4	T676 I678 T929 A933 V935 V950 K951 Y952 L953	V655-T676 HydrophobicContact CG1-CG2 3.93Å; V655-I678 HydrophobicContact CG2-CG1 4.44Å; V655-T929 HydrophobicContact CG1-CG2 4.46Å; V655-A933 HydrophobicContact CG1-CB 4.45Å; V655-V935 HydrophobicContact CG2-CG2 3.64Å; V655-V950 HydrophobicContact CG2-CG1 4.35Å; V655-K951 PolarHBondContact N-O 3.13Å; V655-Y952 HydrophobicContact CB-CD1 3.63Å; V655-Y952 HydrophobicContact CB-CE1 3.95Å; V655-Y952 HydrophobicContact CG1-CD1 4.01Å; V655-Y952 HydrophobicContact CG1-CE1 4.3Å; V655-Y952 HydrophobicContact CG2-CD1 3.97Å; V655-Y952 HydrophobicContact CG2-CE1 3.75Å; V655-Y952 WeakPolarHBondContact O-CA 3.35Å; V655-L953 PolarHBondContact O-N 2.87Å
656	V	95.3	Very high	92.2	Very high	8 Å²	8	32.7 Å²	32.7	5%	0.048	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	109	-178.7	-177.3	0	0	0	0	108.8	E658 R677 F679 L953 K955	V656-E658 HydrophobicContact CG1-CG 4.3Å; V656-R677 PolarHBondContact N-O 3.33Å; V656-R677 PolarHBondContact O-N 3.47Å; V656-F679 HydrophobicContact CB-CE2 4.21Å; V656-F679 HydrophobicContact CG2-CD2 4Å; V656-F679 HydrophobicContact CG2-CE2 3.96Å; V656-L953 VanDerWaalsContact CA-O 3.31Å; V656-L953 WeakPolarHBondContact CA-O 3.35Å; V656-K955 HydrophobicContact CG1-CD 4.44Å; V656-K955 HydrophobicContact CG1-CG 4.47Å
657	D	94.6	Very high	92.3	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	134	171.9	-81.6	0.1	0	0	0	109.6	T676 T929 V930 S931 L953 T954 K955	D657-T676 VanDerWaalsContact OD1-CB 3.31Å; D657-T676 WeakPolarHBondContact OD1-CB 3.46Å; D657-T676 VanDerWaalsContact OD1-CG2 3.26Å; D657-T676 WeakPolarHBondContact OD1-CG2 3.47Å; D657-T676 PolarHBondContact OD1-OG1 2.92Å; D657-T929 WeakPolarHBondContact OD2-CA 3.49Å; D657-T929 WeakPolarHBondContact OD2-CB 2.92Å; D657-V930 PolarHBondContact OD2-N 2.75Å; D657-S931 VanDerWaalsContact CG-OG 3.28Å; D657-S931 PolarHBondContact OD1-OG 3.05Å; D657-S931 VanDerWaalsContact OD1-OG 3.08Å; D657-S931 WeakPolarHBondContact OD2-CB 3.29Å; D657-S931 PolarHBondContact OD2-N 3.05Å; D657-S931 PolarHBondContact OD2-OG 3.05Å; D657-L953 PolarHBondContact N-O 2.85Å; D657-T954 HydrophobicContact CB-CG2 4.01Å; D657-T954 CarbonylContact O-C 3.56Å; D657-T954 WeakPolarHBondContact O-CA 3.23Å; D657-K955 PolarHBondContact O-N 3.28Å
658	E	94.6	Very high	92.5	Very high	18 Å²	18	32.4 Å²	32.4	8%	0.084	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	109.5	176.8	-58	-175.8	153.6	0	0	107.9	F469 V656 A674 R675 R677 K955	F469-E658 HydrophobicContact CE1-CB 4.11Å; F469-E658 WeakPolarHBondContact CE2-O 3.41Å; F469-E658 HydrophobicContact CZ-CB 3.75Å; F469-E658 VanDerWaalsContact CZ-O 3.29Å; F469-E658 WeakPolarHBondContact CZ-O 3.37Å; V656-E658 HydrophobicContact CG1-CG 4.3Å; E658-A674 VanDerWaalsContact O-CA 3.27Å; E658-A674 WeakPolarHBondContact O-CA 3.41Å; E658-R675 PolarHBondContact N-O 3.04Å; E658-R675 PolarHBondContact O-N 3.23Å; E658-R675 IonicContact OE2-CZ 2.81Å; E658-R675 IonicContact OE2-NE 3.11Å; E658-R675 PolarHBondContact OE2-NE 2.93Å; E658-R675 IonicContact OE2-NH2 3.91Å; E658-R675 PolarHBondContact OE2-NH2 2.89Å; E658-R677 VanDerWaalsContact CD-CD 3.46Å; E658-R677 IonicContact OE1-CZ 3.41Å; E658-R677 IonicContact OE1-NH1 3.26Å; E658-R677 PolarHBondContact OE1-NH1 3.17Å; E658-R677 VanDerWaalsContact OE2-CD 3.29Å; E658-R677 WeakPolarHBondContact OE2-CD 3.16Å; E658-R677 IonicContact OE2-NH1 2.74Å; E658-K955 HydrophobicContact CG-CD 4.21Å; E658-K955 IonicContact OE1-NZ 3.73Å; E658-K955 PolarHBondContact OE1-NZ 3.11Å
659	Y	94	Very high	92.8	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.016	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	129.4	177.9	176	-88.8	0	0	0	110.5	Q672 L760 L766 V930 K955 Y956 K957	Y659-Q672 HydrophobicContact CE2-CB 3.77Å; Y659-Q672 WeakPolarHBondContact OH-CB 3.39Å; Y659-L760 HydrophobicContact CD2-CD1 3.9Å; Y659-L760 HydrophobicContact CE2-CD1 3.84Å; Y659-L766 HydrophobicContact CE1-CD1 4.39Å; Y659-L766 HydrophobicContact CE1-CD2 3.87Å; Y659-L766 HydrophobicContact CE2-CD2 4.42Å; Y659-V930 HydrophobicContact CD2-CG1 3.96Å; Y659-K955 PolarHBondContact N-O 3.47Å; Y659-Y956 AromaticContact CD1-CD1 3.63Å; Y659-Y956 HydrophobicContact CD1-CD1 3.63Å; Y659-Y956 HydrophobicContact CD1-CE1 4.33Å; Y659-Y956 HydrophobicContact CE1-CD1 4.34Å; Y659-Y956 AromaticContact CG-CD1 3.86Å; Y659-Y956 HydrophobicContact CG-CD1 3.86Å; Y659-Y956 HydrophobicContact CG-CE1 4.22Å; Y659-K957 PolarHBondContact O-N 2.86Å
660	E	93.8	Very high	92.9	Very high	34 Å²	34	35.4 Å²	35.4	16%	0.159	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	140.9	165.9	-68.5	-162.3	156.4	0	0	111	F469 Q672 K673 K957	F469-E660 HydrophobicContact CE2-CG 4.4Å; F469-E660 HydrophobicContact CZ-CG 3.98Å; E660-Q672 CarbonylContact O-C 3.53Å; E660-Q672 WeakPolarHBondContact O-CA 3.49Å; E660-K673 HydrophobicContact CB-CD 4.4Å; E660-K673 HydrophobicContact CB-CG 3.95Å; E660-K673 PolarHBondContact N-O 2.9Å; E660-K673 PolarHBondContact O-N 3.38Å; E660-K673 VanDerWaalsContact O-O 3.12Å; E660-K673 WeakPolarHBondContact OE2-CE 3.41Å; E660-K673 IonicContact OE2-NZ 2.66Å; E660-K673 PolarHBondContact OE2-NZ 2.83Å; E660-K957 VanDerWaalsContact CA-O 3.24Å; E660-K957 WeakPolarHBondContact CA-O 3.33Å; E660-K957 IonicContact OE1-NZ 2.86Å; E660-K957 PolarHBondContact OE1-NZ 3.42Å
661	G	92.3	Very high	92.9	Very high	10 Å²	10	39 Å²	39	10%	0.103	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	174.8	176.2	0	0	0	0	0	114.6	E671 K957 Y958 T959	G661-E671 CarbonylContact C-O 3.56Å; G661-E671 WeakPolarHBondContact CA-O 3.31Å; G661-K957 PolarHBondContact N-O 2.96Å; G661-Y958 WeakPolarHBondContact O-CA 3.37Å; G661-Y958 WeakPolarHBondContact O-CB 3.3Å; G661-T959 PolarHBondContact O-N 3.35Å; G661-T959 VanDerWaalsContact O-N 3.17Å
662	K	94	Very high	92.8	Very high	90 Å²	90	40.1 Å²	40.1	39%	0.391	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	133.3	175.8	-58.2	-178.5	-171.7	154.4	0	109.9	L670 E671 T959	K662-L670 PolarHBondContact O-N 2.92Å; K662-E671 HydrophobicContact CB-CB 4.36Å; K662-E671 HydrophobicContact CD-CB 4.47Å; K662-E671 HydrophobicContact CD-CG 4.43Å; K662-E671 WeakPolarHBondContact CD-OE2 3.38Å; K662-E671 WeakPolarHBondContact CE-OE2 3.34Å; K662-E671 HydrophobicContact CG-CB 4.4Å; K662-E671 PolarHBondContact N-O 3.42Å; K662-E671 IonicContact NZ-OE1 2.8Å; K662-E671 PolarHBondContact NZ-OE1 2.78Å; K662-E671 IonicContact NZ-OE2 2.65Å; K662-E671 PolarHBondContact NZ-OE2 2.97Å; K662-E671 PolarHBondContact O-N 2.75Å; K662-T959 WeakPolarHBondContact CA-O 3.44Å
663	L	94.6	Very high	92.7	Very high	10 Å²	10	41.5 Å²	41.5	5%	0.052	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	141.4	179.8	-85.4	67.2	0	0	0	111	T668 I669 L766 Y958 T959 M960 D961	L663-T668 VanDerWaalsContact CA-O 3.32Å; L663-T668 WeakPolarHBondContact CA-O 3.08Å; L663-I669 HydrophobicContact CD1-CG1 4.09Å; L663-I669 HydrophobicContact CG-CG1 4.32Å; L663-L766 HydrophobicContact CD1-CD1 3.76Å; L663-L766 HydrophobicContact CD2-CD1 3.85Å; L663-L766 HydrophobicContact CG-CD1 4.47Å; L663-Y958 HydrophobicContact CD1-CD2 4.02Å; L663-Y958 HydrophobicContact CD1-CG 4.42Å; L663-Y958 HydrophobicContact CD2-CD2 4.34Å; L663-Y958 HydrophobicContact CD2-CE2 4.2Å; L663-T959 PolarHBondContact N-O 3.22Å; L663-M960 HydrophobicContact CB-CB 4.26Å; L663-M960 HydrophobicContact CB-CG 4.15Å; L663-M960 WeakPolarHBondContact O-CA 3.19Å; L663-D961 PolarHBondContact O-N 2.84Å
664	N	93.7	Very high	92.6	Very high	36 Å²	36	41.6 Å²	41.6	19%	0.193	22%	0.215	C	C	.	.			trans	-74.3	174.7	171.1	74.2	12.1	0	0	0	112	H666 G667 T668 L670 D961	N664-H666 PolarHBondContact O-N 3.32Å; N664-H666 VanDerWaalsContact OD1-CA 3.32Å; N664-H666 WeakPolarHBondContact OD1-CA 3.42Å; N664-H666 WeakPolarHBondContact OD1-CB 3.27Å; N664-H666 PolarHBondContact OD1-N 2.73Å; N664-G667 PolarHBondContact O-N 3.27Å; N664-G667 PolarHBondContact OD1-N 3.44Å; N664-T668 PolarHBondContact N-O 2.94Å; N664-T668 VanDerWaalsContact ND2-CB 3.31Å; N664-T668 WeakPolarHBondContact ND2-CB 3.16Å; N664-T668 PolarHBondContact ND2-OG1 2.67Å; N664-T668 VanDerWaalsContact ND2-OG1 3.15Å; N664-T668 PolarHBondContact OD1-N 2.67Å; N664-T668 PolarHBondContact OD1-OG1 2.76Å; N664-L670 HydrophobicContact CB-CD1 4.02Å; N664-L670 HydrophobicContact CB-CD2 4.2Å; N664-L670 HydrophobicContact CB-CG 4.13Å; N664-D961 WeakPolarHBondContact CA-OD2 3.4Å
665	V	93.2	Very high	92.6	Very high	35 Å²	35	39.9 Å²	39.9	21%	0.212	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-23.9	177.4	-178.7	0	0	0	0	113.7	M960 D961 D963	V665-M960 WeakPolarHBondContact O-CE 3.22Å; V665-D961 HydrophobicContact CG2-CB 3.54Å; V665-D963 HydrophobicContact CG1-CB 3.58Å
666	H	90.3	Very high	92.6	Very high	163 Å²	163	39.9 Å²	39.9	76%	0.755	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-1.1	-177.6	-61.5	46.4	0	0	0	112.6	N664	N664-H666 PolarHBondContact O-N 3.32Å; N664-H666 VanDerWaalsContact OD1-CA 3.32Å; N664-H666 WeakPolarHBondContact OD1-CA 3.42Å; N664-H666 WeakPolarHBondContact OD1-CB 3.27Å; N664-H666 PolarHBondContact OD1-N 2.73Å
667	G	86.4	Confident	92.7	Very high	33 Å²	33	39.6 Å²	39.6	34%	0.34	21%	0.207	S	C	.	.	S	Bend	trans	83.5	5.6	-177.3	0	0	0	0	0	114.9	N664	N664-G667 PolarHBondContact O-N 3.27Å; N664-G667 PolarHBondContact OD1-N 3.44Å
668	T	90.4	Very high	92.8	Very high	80 Å²	80	39.6 Å²	39.6	49%	0.491	21%	0.207	S	C	.	.			trans	-73.4	133.8	173.7	-35.3	0	0	0	0	110.2	L663 N664 L670	L663-T668 VanDerWaalsContact CA-O 3.32Å; L663-T668 WeakPolarHBondContact CA-O 3.08Å; N664-T668 PolarHBondContact N-O 2.94Å; N664-T668 VanDerWaalsContact ND2-CB 3.31Å; N664-T668 WeakPolarHBondContact ND2-CB 3.16Å; N664-T668 PolarHBondContact ND2-OG1 2.67Å; N664-T668 VanDerWaalsContact ND2-OG1 3.15Å; N664-T668 PolarHBondContact OD1-N 2.67Å; N664-T668 PolarHBondContact OD1-OG1 2.76Å; T668-L670 PolarHBondContact O-N 2.72Å
669	I	91.4	Very high	92.8	Very high	31 Å²	31	40.2 Å²	40.2	16%	0.159	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	123.8	174.5	-56.6	169.9	0	0	0	108.8	L663 Q672 L766	L663-I669 HydrophobicContact CD1-CG1 4.09Å; L663-I669 HydrophobicContact CG-CG1 4.32Å; I669-Q672 HydrophobicContact CG2-CB 3.9Å; I669-Q672 HydrophobicContact CG2-CG 4.07Å; I669-L766 HydrophobicContact CD1-CD2 4.28Å; I669-L766 HydrophobicContact CD1-CG 4.27Å
670	L	90.9	Very high	92.8	Very high	104 Å²	104	40 Å²	40	55%	0.545	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	-41.9	177	-64.1	177.2	0	0	0	112.1	K662 N664 T668	K662-L670 PolarHBondContact O-N 2.92Å; N664-L670 HydrophobicContact CB-CD1 4.02Å; N664-L670 HydrophobicContact CB-CD2 4.2Å; N664-L670 HydrophobicContact CB-CG 4.13Å; T668-L670 PolarHBondContact O-N 2.72Å
671	E	90.7	Very high	92.8	Very high	94 Å²	94	38.5 Å²	38.5	44%	0.439	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	140.7	177.7	-70	173.5	-149.7	0	0	108.2	G661 K662	G661-E671 CarbonylContact C-O 3.56Å; G661-E671 WeakPolarHBondContact CA-O 3.31Å; K662-E671 HydrophobicContact CB-CB 4.36Å; K662-E671 HydrophobicContact CD-CB 4.47Å; K662-E671 HydrophobicContact CD-CG 4.43Å; K662-E671 WeakPolarHBondContact CD-OE2 3.38Å; K662-E671 WeakPolarHBondContact CE-OE2 3.34Å; K662-E671 HydrophobicContact CG-CB 4.4Å; K662-E671 PolarHBondContact N-O 3.42Å; K662-E671 IonicContact NZ-OE1 2.8Å; K662-E671 PolarHBondContact NZ-OE1 2.78Å; K662-E671 IonicContact NZ-OE2 2.65Å; K662-E671 PolarHBondContact NZ-OE2 2.97Å; K662-E671 PolarHBondContact O-N 2.75Å
672	Q	90.8	Very high	92.8	Very high	24 Å²	24	38 Å²	38	11%	0.112	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	152.8	170.2	57.6	178.9	-23.1	0	0	112.9	Y659 E660 I669 L760 N763	Y659-Q672 HydrophobicContact CE2-CB 3.77Å; Y659-Q672 WeakPolarHBondContact OH-CB 3.39Å; E660-Q672 CarbonylContact O-C 3.53Å; E660-Q672 WeakPolarHBondContact O-CA 3.49Å; I669-Q672 HydrophobicContact CG2-CB 3.9Å; I669-Q672 HydrophobicContact CG2-CG 4.07Å; Q672-L760 HydrophobicContact CB-CD1 4.23Å; Q672-L760 HydrophobicContact CG-CB 4.22Å; Q672-L760 HydrophobicContact CG-CD1 4.15Å; Q672-L760 PolarHBondContact NE2-O 2.91Å; Q672-N763 PolarHBondContact NE2-O 3.17Å
673	K	91.7	Very high	92.6	Very high	44 Å²	44	33.9 Å²	33.9	19%	0.191	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	141.4	172.3	59	-175.2	-178.2	174.3	0	109.6	F469 E660	F469-K673 HydrophobicContact CD2-CB 4.36Å; F469-K673 HydrophobicContact CD2-CD 4.07Å; F469-K673 HydrophobicContact CD2-CG 3.98Å; F469-K673 HydrophobicContact CE2-CD 4.42Å; F469-K673 HydrophobicContact CE2-CG 4Å; F469-K673 WeakPolarHBondContact O-CE 3.45Å; F469-K673 PolarHBondContact O-NZ 3.14Å; E660-K673 HydrophobicContact CB-CD 4.4Å; E660-K673 HydrophobicContact CB-CG 3.95Å; E660-K673 PolarHBondContact N-O 2.9Å; E660-K673 PolarHBondContact O-N 3.38Å; E660-K673 VanDerWaalsContact O-O 3.12Å; E660-K673 WeakPolarHBondContact OE2-CE 3.41Å; E660-K673 IonicContact OE2-NZ 2.66Å; E660-K673 PolarHBondContact OE2-NZ 2.83Å
674	A	92.4	Very high	92.3	Very high	2 Å²	2	33.4 Å²	33.4	2%	0.017	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	152	169.1	0	0	0	0	0	111.8	E658 R757 L760 V930	E658-A674 VanDerWaalsContact O-CA 3.27Å; E658-A674 WeakPolarHBondContact O-CA 3.41Å; A674-R757 PolarHBondContact O-NE 2.87Å; A674-L760 HydrophobicContact CB-CD1 3.75Å; A674-L760 HydrophobicContact CB-CD2 3.93Å; A674-L760 HydrophobicContact CB-CG 4.2Å; A674-V930 HydrophobicContact CB-CG1 4.22Å
675	R	94.2	Very high	92.1	Very high	15 Å²	15	33.6 Å²	33.6	6%	0.057	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	127.4	168.5	179.2	175.1	69.5	161.2	4.3	108.7	F469 H470 E658 R677 F756	F469-R675 HydrophobicContact CB-CB 4.34Å; F469-R675 HydrophobicContact CD1-CB 3.92Å; F469-R675 HydrophobicContact CD2-CB 3.65Å; F469-R675 HydrophobicContact CE1-CB 4.1Å; F469-R675 HydrophobicContact CE2-CB 3.85Å; F469-R675 HydrophobicContact CG-CB 3.69Å; F469-R675 HydrophobicContact CG-CG 4.5Å; F469-R675 HydrophobicContact CZ-CB 4.07Å; H470-R675 PolarHBondContact NE2-NH2 3.44Å; E658-R675 PolarHBondContact N-O 3.04Å; E658-R675 PolarHBondContact O-N 3.23Å; E658-R675 IonicContact OE2-CZ 2.81Å; E658-R675 IonicContact OE2-NE 3.11Å; E658-R675 PolarHBondContact OE2-NE 2.93Å; E658-R675 IonicContact OE2-NH2 3.91Å; E658-R675 PolarHBondContact OE2-NH2 2.89Å; R675-R677 HydrophobicContact CG-CG 4.22Å; R675-F756 WeakPolarHBondContact CA-O 3.09Å
676	T	95.7	Very high	91.5	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	134.8	173	-61.1	0	0	0	0	109.1	V655 D657 I678 R755 F756 S931 A933	V655-T676 HydrophobicContact CG1-CG2 3.93Å; D657-T676 VanDerWaalsContact OD1-CB 3.31Å; D657-T676 WeakPolarHBondContact OD1-CB 3.46Å; D657-T676 VanDerWaalsContact OD1-CG2 3.26Å; D657-T676 WeakPolarHBondContact OD1-CG2 3.47Å; D657-T676 PolarHBondContact OD1-OG1 2.92Å; T676-I678 HydrophobicContact CG2-CG1 4.46Å; T676-R755 CarbonylContact O-C 3.44Å; T676-R755 WeakPolarHBondContact O-CA 3.44Å; T676-R755 WeakPolarHBondContact O-CB 3.4Å; T676-F756 HydrophobicContact CG2-CE1 3.81Å; T676-F756 HydrophobicContact CG2-CE2 4Å; T676-F756 HydrophobicContact CG2-CZ 3.46Å; T676-F756 VanDerWaalsContact CG2-CZ 3.46Å; T676-F756 PolarHBondContact N-O 3.23Å; T676-F756 PolarHBondContact O-N 2.81Å; T676-S931 WeakPolarHBondContact OG1-CB 3.42Å; T676-S931 PolarHBondContact OG1-OG 3.33Å; T676-S931 VanDerWaalsContact OG1-OG 3.12Å; T676-A933 HydrophobicContact CG2-CB 4.01Å
677	R	96.1	Very high	91.2	Very high	3 Å²	3	28.6 Å²	28.6	1%	0.011	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125.2	179.9	-57.8	171.9	69.6	176	10.6	109.3	E630 V656 E658 R675 F679 E752 R755	E630-R677 VanDerWaalsContact CD-NH2 3.32Å; E630-R677 IonicContact OE1-NH1 3.84Å; E630-R677 PolarHBondContact OE1-NH1 2.79Å; E630-R677 IonicContact OE1-NH2 2.9Å; E630-R677 IonicContact OE2-CZ 3.53Å; E630-R677 IonicContact OE2-NH1 3.23Å; E630-R677 PolarHBondContact OE2-NH1 3.48Å; E630-R677 IonicContact OE2-NH2 2.72Å; E630-R677 PolarHBondContact OE2-NH2 3.3Å; V656-R677 PolarHBondContact N-O 3.33Å; V656-R677 PolarHBondContact O-N 3.47Å; E658-R677 VanDerWaalsContact CD-CD 3.46Å; E658-R677 IonicContact OE1-CZ 3.41Å; E658-R677 IonicContact OE1-NH1 3.26Å; E658-R677 PolarHBondContact OE1-NH1 3.17Å; E658-R677 VanDerWaalsContact OE2-CD 3.29Å; E658-R677 WeakPolarHBondContact OE2-CD 3.16Å; E658-R677 IonicContact OE2-NH1 2.74Å; R675-R677 HydrophobicContact CG-CG 4.22Å; R677-F679 HydrophobicContact CB-CE2 3.86Å; R677-F679 HydrophobicContact CB-CZ 4.43Å; R677-E752 WeakPolarHBondContact CG-OE1 3.41Å; R677-E752 IonicContact CZ-OE1 3.85Å; R677-E752 IonicContact CZ-OE2 2.67Å; R677-E752 IonicContact NE-OE1 3.22Å; R677-E752 PolarHBondContact NE-OE1 3.26Å; R677-E752 IonicContact NE-OE2 3.98Å; R677-E752 PolarHBondContact NE-OE2 2.89Å; R677-E752 IonicContact NH2-OE1 3.7Å; R677-E752 IonicContact NH2-OE2 2.67Å; R677-E752 PolarHBondContact NH2-OE2 3.09Å; R677-R755 HydrophobicContact CG-CB 4.03Å
678	I	96.7	Very high	91.3	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	115.3	179	-57.3	-172.9	0	0	0	108.4	Y654 V655 T676 L692 L694 L753 L754 F756	Y654-I678 WeakPolarHBondContact O-CA 3.41Å; V655-I678 HydrophobicContact CG2-CG1 4.44Å; T676-I678 HydrophobicContact CG2-CG1 4.46Å; I678-L692 HydrophobicContact CG2-CD2 4.06Å; I678-L694 HydrophobicContact CD1-CD1 3.72Å; I678-L694 HydrophobicContact CD1-CD2 3.7Å; I678-L694 HydrophobicContact CD1-CG 4.38Å; I678-L753 WeakPolarHBondContact O-CB 3.48Å; I678-L753 PolarHBondContact O-N 3.13Å; I678-L754 HydrophobicContact CD1-CD2 4.39Å; I678-L754 PolarHBondContact N-O 2.86Å; I678-L754 PolarHBondContact O-N 3.21Å; I678-F756 HydrophobicContact CD1-CE1 4.04Å; I678-F756 HydrophobicContact CG1-CE1 4.39Å
679	F	95.6	Very high	91.3	Very high	31 Å²	31	24.8 Å²	24.8	14%	0.136	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	141.6	172.3	-58.8	-98.8	0	0	0	110.2	C653 Y654 V656 R677 R750 F751 E752	C653-F679 CarbonylContact C-O 3.54Å; C653-F679 WeakPolarHBondContact CA-O 3.44Å; Y654-F679 HydrophobicContact CD2-CB 4.26Å; Y654-F679 PolarHBondContact N-O 2.83Å; Y654-F679 PolarHBondContact O-N 3.49Å; V656-F679 HydrophobicContact CB-CE2 4.21Å; V656-F679 HydrophobicContact CG2-CD2 4Å; V656-F679 HydrophobicContact CG2-CE2 3.96Å; R677-F679 HydrophobicContact CB-CE2 3.86Å; R677-F679 HydrophobicContact CB-CZ 4.43Å; F679-R750 HydrophobicContact CB-CG 4.28Å; F679-R750 HydrophobicContact CD1-CG 4.5Å; F679-F751 CarbonylContact C-O 3.54Å; F679-F751 WeakPolarHBondContact CA-O 3.32Å; F679-F751 WeakPolarHBondContact CB-O 3.41Å; F679-E752 HydrophobicContact CD1-CB 3.92Å; F679-E752 HydrophobicContact CE1-CB 3.78Å; F679-E752 HydrophobicContact CE1-CG 4.22Å; F679-E752 HydrophobicContact CZ-CB 4.48Å; F679-E752 HydrophobicContact CZ-CG 4.45Å
680	C	94.7	Very high	91.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	141.3	172.9	-169	0	0	0	0	110.3	F743 R750 F751 L753	C680-F743 HydrophobicContact CB-CE2 4.43Å; C680-F743 HydrophobicContact CB-CZ 4.48Å; C680-R750 WeakPolarHBondContact O-CA 3.33Å; C680-F751 HydrophobicContact CB-CE1 3.92Å; C680-F751 HydrophobicContact CB-CZ 3.9Å; C680-F751 PolarHBondContact N-O 3.17Å; C680-F751 PolarHBondContact O-N 3.02Å; C680-F751 VanDerWaalsContact O-N 3.15Å; C680-L753 HydrophobicContact CB-CB 4.37Å; C680-L753 HydrophobicContact CB-CD2 4.48Å
681	T	92.8	Very high	91.5	Very high	1 Å²	1	20 Å²	20	1%	0.006	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	125.8	160.7	48.3	0	0	0	0	107.4	C652 Y654 C749 R750	C652-T681 WeakPolarHBondContact CB-OG1 3.24Å; C652-T681 PolarHBondContact N-O 3.09Å; C652-T681 PolarHBondContact O-N 3.45Å; C652-T681 PolarHBondContact O-OG1 3.47Å; Y654-T681 HydrophobicContact CE2-CG2 4.11Å; T681-C749 WeakPolarHBondContact CA-O 3.47Å; T681-R750 HydrophobicContact CG2-CB 3.39Å; T681-R750 HydrophobicContact CG2-CG 3.73Å
682	A	91.8	Very high	91.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	137.5	174.9	0	0	0	0	0	110.1	V651 V684 I690 P745 G748	V651-A682 HydrophobicContact CG2-CB 4.03Å; A682-V684 HydrophobicContact CB-CG1 4.48Å; A682-V684 HydrophobicContact CB-CG2 4.01Å; A682-I690 HydrophobicContact CB-CD1 3.85Å; A682-P745 HydrophobicContact CB-CB 3.57Å; A682-P745 HydrophobicContact CB-CG 3.86Å; A682-G748 PolarHBondContact O-N 3.21Å
683	F	90.6	Very high	91.9	Very high	3 Å²	3	15 Å²	15	1%	0.013	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	91.1	169	-53.4	-80	0	0	0	104.9	Y572 H604 Y646 E649 E650	Y572-F683 HydrophobicContact CD1-CE1 4.05Å; Y572-F683 HydrophobicContact CD1-CE2 4.44Å; Y572-F683 AromaticContact CD1-CZ 3.46Å; Y572-F683 HydrophobicContact CD1-CZ 3.46Å; Y572-F683 VanDerWaalsContact CD1-CZ 3.46Å; Y572-F683 AromaticContact CD2-CE1 3.96Å; Y572-F683 HydrophobicContact CD2-CE1 3.96Å; Y572-F683 AromaticContact CD2-CZ 3.91Å; Y572-F683 HydrophobicContact CD2-CZ 3.91Å; Y572-F683 AromaticContact CE1-CZ 3.73Å; Y572-F683 HydrophobicContact CE1-CZ 3.73Å; Y572-F683 HydrophobicContact CE2-CZ 4.18Å; Y572-F683 AromaticContact CG-CE1 3.65Å; Y572-F683 HydrophobicContact CG-CE1 3.65Å; Y572-F683 AromaticContact CG-CZ 3.54Å; Y572-F683 HydrophobicContact CG-CZ 3.54Å; H604-F683 HydrophobicContact CB-CD2 4.18Å; H604-F683 HydrophobicContact CB-CE1 4.22Å; H604-F683 HydrophobicContact CB-CE2 3.78Å; H604-F683 HydrophobicContact CB-CZ 3.82Å; H604-F683 AromaticContact CD2-CD1 3.76Å; H604-F683 AromaticContact CD2-CG 3.82Å; H604-F683 AromaticContact CE1-CD2 3.83Å; H604-F683 AromaticContact CE1-CG 3.61Å; H604-F683 AromaticContact CG-CD2 3.74Å; H604-F683 AromaticContact CG-CE2 3.87Å; H604-F683 AromaticContact CG-CG 3.81Å; H604-F683 AromaticContact ND1-CD2 3.48Å; H604-F683 WeakPolarHBondContact ND1-CD2 3.31Å; H604-F683 AromaticContact ND1-CE2 3.97Å; H604-F683 AromaticContact ND1-CG 3.69Å; H604-F683 AromaticContact NE2-CD1 3.98Å; H604-F683 AromaticContact NE2-CG 3.72Å; Y646-F683 HydrophobicContact CD1-CB 3.97Å; Y646-F683 HydrophobicContact CD1-CD1 4.1Å; Y646-F683 HydrophobicContact CD1-CG 4.49Å; Y646-F683 HydrophobicContact CD2-CB 4.05Å; Y646-F683 HydrophobicContact CE1-CB 4.12Å; Y646-F683 AromaticContact CE1-CD1 3.59Å; Y646-F683 HydrophobicContact CE1-CD1 3.59Å; Y646-F683 HydrophobicContact CE1-CG 4.33Å; Y646-F683 HydrophobicContact CE2-CB 4.18Å; Y646-F683 HydrophobicContact CG-CB 3.92Å; Y646-F683 AromaticContact CZ-CD1 3.88Å; E649-F683 CarbonylContact C-O 3.55Å; E649-F683 WeakPolarHBondContact CA-O 3.43Å; E650-F683 HydrophobicContact CG-CD2 3.71Å; E650-F683 HydrophobicContact CG-CE2 4.49Å; E650-F683 PolarHBondContact N-O 3.06Å; E650-F683 PolarHBondContact O-N 3.12Å
684	V	89.1	Confident	92	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.006	9%	0.094	C	C	.	.			trans	-139.8	130.3	-168.8	-72.1	0	0	0	0	111.2	V651 A682 P688 P745 V940 V946	V651-V684 HydrophobicContact CG2-CG1 3.69Å; A682-V684 HydrophobicContact CB-CG1 4.48Å; A682-V684 HydrophobicContact CB-CG2 4.01Å; V684-P688 HydrophobicContact CB-CG 3.99Å; V684-P688 HydrophobicContact CG2-CG 3.99Å; V684-P745 HydrophobicContact CG2-CG 3.95Å; V684-V940 HydrophobicContact CG1-CG1 4.45Å; V684-V946 HydrophobicContact CG1-CG1 4.26Å
685	N	87.7	Confident	92	Very high	40 Å²	40	13.3 Å²	13.3	21%	0.214	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	140.6	-173.4	-63.8	-37	0	0	0	111.9	L644 N645 Y646 E649 G687 P688	L644-N685 PolarHBondContact O-OD1 3.09Å; N645-N685 VanDerWaalsContact CA-OD1 3.29Å; N645-N685 WeakPolarHBondContact CA-OD1 3.49Å; Y646-N685 PolarHBondContact N-OD1 2.85Å; Y646-N685 PolarHBondContact O-ND2 2.89Å; E649-N685 WeakPolarHBondContact OE1-CB 3.31Å; E649-N685 PolarHBondContact OE1-ND2 3.19Å; N685-G687 VanDerWaalsContact C-N 3.29Å; N685-G687 PolarHBondContact O-N 3.19Å; N685-P688 WeakPolarHBondContact O-CD 3.29Å
686	G	81.6	Confident	91.9	Very high	61 Å²	61	12.8 Å²	12.8	63%	0.629	9%	0.092	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.6	-0.2	174.9	0	0	0	0	0	116.1
687	G	83.1	Confident	91.7	Very high	32 Å²	32	16.1 Å²	16.1	33%	0.33	11%	0.106	S	C	.	.			trans	65.1	51.6	178.4	0	0	0	0	0	115.1	N685 Y744	N685-G687 VanDerWaalsContact C-N 3.29Å; N685-G687 PolarHBondContact O-N 3.19Å; G687-Y744 WeakPolarHBondContact O-CD1 3.39Å
688	P	88.6	Confident	91.3	Very high	7 Å²	7	19.2 Å²	19.2	5%	0.045	12%	0.118	C	C	.	.			trans	-67.1	157.8	-179.7	30.8	-36.8	0	0	0	112.3	V684 N685 V940 E941	V684-P688 HydrophobicContact CB-CG 3.99Å; V684-P688 HydrophobicContact CG2-CG 3.99Å; N685-P688 WeakPolarHBondContact O-CD 3.29Å; P688-V940 HydrophobicContact CB-CG1 3.92Å; P688-V940 HydrophobicContact CG-CG1 3.51Å; P688-E941 HydrophobicContact CB-CB 3.81Å; P688-E941 VanDerWaalsContact CB-O 3.22Å; P688-E941 WeakPolarHBondContact CB-O 3.35Å
689	H	90.2	Very high	91	Very high	26 Å²	26	20.4 Å²	20.4	12%	0.12	12%	0.122	C	C	.	.			trans	-63.8	139.2	163.6	-78	-77.8	0	0	0	111	Q731 Q742 Y744 E941	H689-Q731 PolarHBondContact CE1-OE1 3.15Å; H689-Q731 PolarHBondContact ND1-OE1 3.35Å; H689-Q742 HydrophobicContact CB-CG 4.36Å; H689-Q742 PolarHBondContact ND1-NE2 3.31Å; H689-Y744 AromaticContact CD2-CE1 3.9Å; H689-Y744 AromaticContact CD2-CZ 3.91Å; H689-Y744 AromaticContact CE1-CE1 3.7Å; H689-Y744 AromaticContact CE1-CE2 3.37Å; H689-Y744 WeakPolarHBondContact CE1-CE2 3.28Å; H689-Y744 AromaticContact CE1-CZ 3.17Å; H689-Y744 PolarHBondContact CE1-OH 3.1Å; H689-Y744 AromaticContact ND1-CE1 3.89Å; H689-Y744 AromaticContact ND1-CZ 3.82Å; H689-Y744 AromaticContact NE2-CE1 3.69Å; H689-Y744 AromaticContact NE2-CE2 3.86Å; H689-Y744 AromaticContact NE2-CZ 3.2Å; H689-Y744 PolarHBondContact NE2-OH 2.66Å; H689-E941 HydrophobicContact CB-CB 4.23Å; H689-E941 IonicContact CD2-OE2 3.33Å; H689-E941 PolarHBondContact CD2-OE2 3.28Å; H689-E941 IonicContact CG-OE2 2.94Å; H689-E941 PolarHBondContact N-OE2 3.26Å; H689-E941 VanDerWaalsContact N-OE2 3.16Å; H689-E941 WeakPolarHBondContact O-CB 3.41Å; H689-E941 PolarHBondContact O-N 3.05Å
690	I	93.2	Very high	90.6	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	134.1	166.5	-60.5	-179	0	0	0	107.9	V651 A682 Q742 F743 P745 I938 S939 V940	V651-I690 HydrophobicContact CG1-CD1 4.2Å; V651-I690 HydrophobicContact CG2-CD1 3.81Å; A682-I690 HydrophobicContact CB-CD1 3.85Å; I690-Q742 WeakPolarHBondContact O-CA 3.4Å; I690-F743 HydrophobicContact CB-CE1 4.03Å; I690-F743 HydrophobicContact CB-CE2 4.13Å; I690-F743 HydrophobicContact CB-CZ 3.82Å; I690-F743 HydrophobicContact CD1-CE2 4.44Å; I690-F743 HydrophobicContact CG2-CE1 3.78Å; I690-F743 HydrophobicContact CG2-CE2 4.36Å; I690-F743 HydrophobicContact CG2-CZ 3.59Å; I690-F743 PolarHBondContact N-O 2.96Å; I690-F743 WeakPolarHBondContact O-CD1 3.34Å; I690-F743 PolarHBondContact O-N 2.83Å; I690-P745 HydrophobicContact CD1-CB 4.04Å; I690-P745 HydrophobicContact CD1-CG 3.73Å; I690-P745 HydrophobicContact CG1-CG 4.35Å; I690-I938 HydrophobicContact CG2-CG2 4.36Å; I690-S939 WeakPolarHBondContact CA-O 3.46Å; I690-V940 HydrophobicContact CG1-CG1 4.34Å; I690-V940 HydrophobicContact CG1-CG2 4.4Å
691	V	94.6	Very high	90.2	Very high	33 Å²	33	28.9 Å²	28.9	20%	0.2	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	122.8	171.3	-177.8	0	0	0	0	108.5	M740 L741 Q742 S939	V691-M740 HydrophobicContact CG1-SD 4.42Å; V691-L741 WeakPolarHBondContact CA-O 3.45Å; V691-Q742 HydrophobicContact CG2-CB 4.14Å; V691-Q742 HydrophobicContact CG2-CG 3.86Å; V691-S939 PolarHBondContact N-O 2.95Å; V691-S939 PolarHBondContact O-N 2.89Å
692	L	95	Very high	89.8	Confident	3 Å²	3	34.2 Å²	34.2	2%	0.016	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	121.9	178.9	-175.1	73.8	0	0	0	110.2	I678 L694 L741 F743 L753 V935 I938	I678-L692 HydrophobicContact CG2-CD2 4.06Å; L692-L694 HydrophobicContact CD2-CD2 4.15Å; L692-L694 HydrophobicContact CG-CD2 4.22Å; L692-L741 HydrophobicContact CB-CB 4.06Å; L692-L741 HydrophobicContact CB-CD1 4.49Å; L692-L741 HydrophobicContact CD2-CD1 4.1Å; L692-L741 PolarHBondContact N-O 2.93Å; L692-F743 HydrophobicContact CB-CE1 4.16Å; L692-L753 HydrophobicContact CD2-CD2 3.83Å; L692-V935 HydrophobicContact CD1-CG1 3.42Å; L692-V935 VanDerWaalsContact CD1-CG1 3.42Å; L692-V935 HydrophobicContact CD1-CG2 4.41Å; L692-V935 HydrophobicContact CG-CG1 4.33Å; L692-I938 HydrophobicContact CD1-CD1 4.45Å; L692-I938 HydrophobicContact CD1-CG1 3.73Å
693	G	93.7	Very high	89.5	Confident	10 Å²	10	37 Å²	37	10%	0.103	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	126.8	174.2	0	0	0	0	0	111.9	V935 R936 S937	G693-V935 CarbonylContact O-C 3.49Å; G693-R936 PolarHBondContact O-N 3.23Å; G693-S937 WeakPolarHBondContact CA-OG 3.49Å; G693-S937 PolarHBondContact N-O 3.45Å; G693-S937 PolarHBondContact N-OG 3.43Å; G693-S937 PolarHBondContact O-N 2.82Å
694	L	94.4	Very high	89.3	Confident	10 Å²	10	43.4 Å²	43.4	5%	0.052	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	159	174.3	-56.2	-177.3	0	0	0	110.7	I678 L692 D696 I721 L741 L754 F756 T934 V935	I678-L694 HydrophobicContact CD1-CD1 3.72Å; I678-L694 HydrophobicContact CD1-CD2 3.7Å; I678-L694 HydrophobicContact CD1-CG 4.38Å; L692-L694 HydrophobicContact CD2-CD2 4.15Å; L692-L694 HydrophobicContact CG-CD2 4.22Å; L694-D696 PolarHBondContact O-N 2.76Å; L694-I721 HydrophobicContact CD1-CD1 4.12Å; L694-L741 HydrophobicContact CD1-CD1 3.57Å; L694-L741 HydrophobicContact CG-CD1 3.88Å; L694-L754 HydrophobicContact CD1-CD2 3.86Å; L694-F756 HydrophobicContact CD1-CE1 4.35Å; L694-T934 WeakPolarHBondContact CA-O 3.39Å; L694-V935 HydrophobicContact CD2-CB 4.41Å; L694-V935 HydrophobicContact CD2-CG2 3.87Å
695	N	92.9	Very high	89.2	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	26%	0.264	C	S	.	.			trans	-73.1	42.6	171.9	64.3	-27.4	0	0	0	114.4	E717 W718 I719 G932 T934 R936	N695-E717 PolarHBondContact ND2-O 2.84Å; N695-W718 HydrophobicContact CB-CD2 4.38Å; N695-W718 HydrophobicContact CB-CE3 4.22Å; N695-W718 CarbonylContact O-C 3.55Å; N695-W718 WeakPolarHBondContact O-CA 3.4Å; N695-I719 WeakPolarHBondContact O-CG1 3.44Å; N695-I719 PolarHBondContact O-N 2.77Å; N695-G932 PolarHBondContact ND2-O 3Å; N695-T934 WeakPolarHBondContact CB-OG1 3.43Å; N695-T934 PolarHBondContact N-O 3.11Å; N695-T934 PolarHBondContact ND2-OG1 3.47Å; N695-T934 VanDerWaalsContact ND2-OG1 3.13Å; N695-T934 PolarHBondContact OD1-N 2.99Å; N695-T934 PolarHBondContact OD1-O 2.86Å; N695-R936 HydrophobicContact CB-CG 4.3Å
696	D	92.6	Very high	89.2	Confident	4 Å²	4	50 Å²	50	2%	0.021	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-71.7	129.9	174.8	-176.2	0.4	0	0	0	110.7	L694 W698 R699 W718 I721 H739	L694-D696 PolarHBondContact O-N 2.76Å; D696-W698 PolarHBondContact O-N 2.93Å; D696-W698 PolarHBondContact OD1-N 2.86Å; D696-R699 HydrophobicContact CB-CG 4.32Å; D696-R699 WeakPolarHBondContact O-CA 3.44Å; D696-R699 WeakPolarHBondContact O-CB 3.42Å; D696-R699 PolarHBondContact O-N 3.13Å; D696-W718 VanDerWaalsContact O-CZ3 3.24Å; D696-W718 WeakPolarHBondContact O-CZ3 2.94Å; D696-I721 HydrophobicContact CB-CD1 3.75Å; D696-I721 HydrophobicContact CB-CG1 4.2Å; D696-H739 IonicContact OD2-CE1 3.8Å; D696-H739 IonicContact OD2-CG 2.81Å; D696-H739 IonicContact OD2-ND1 3.75Å; D696-H739 PolarHBondContact OD2-ND1 3.13Å
697	K	90.4	Very high	89.5	Confident	70 Å²	70	58.4 Å²	58.4	30%	0.304	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-51.3	-31	178.9	-76.3	179.4	-173.5	-172.8	0	113.5	P456 E459 R699 F700 W718 I719 N720	P456-K697 HydrophobicContact CB-CB 4.17Å; P456-K697 HydrophobicContact CG-CB 4.26Å; E459-K697 IonicContact OE1-NZ 3.63Å; E459-K697 PolarHBondContact OE1-NZ 3.02Å; K697-R699 PolarHBondContact O-N 3.08Å; K697-F700 VanDerWaalsContact O-CB 3.24Å; K697-F700 WeakPolarHBondContact O-CB 3.47Å; K697-F700 PolarHBondContact O-N 2.87Å; K697-W718 WeakPolarHBondContact CE-O 3.44Å; K697-W718 HydrophobicContact CG-CB 3.85Å; K697-I719 WeakPolarHBondContact CG-O 3.45Å; K697-I719 PolarHBondContact N-O 3.43Å; K697-N720 HydrophobicContact CD-CB 4.28Å
698	W	88.8	Confident	89.7	Confident	68 Å²	68	60.8 Å²	60.8	26%	0.258	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-61.8	-27.5	173.6	-74.3	91.6	0	0	0	114.3	P453 P455 P456 D696 H739	P453-W698 HydrophobicContact CB-CE3 3.85Å; P453-W698 HydrophobicContact CB-CZ3 3.92Å; P453-W698 HydrophobicContact CG-CE3 3.99Å; P453-W698 HydrophobicContact CG-CZ3 3.91Å; P455-W698 VanDerWaalsContact CA-CH2 3.48Å; P455-W698 HydrophobicContact CB-CH2 3.53Å; P455-W698 HydrophobicContact CB-CZ2 3.76Å; P455-W698 HydrophobicContact CB-CZ3 4.29Å; P456-W698 HydrophobicContact CG-CD2 4.31Å; P456-W698 HydrophobicContact CG-CG 4.29Å; D696-W698 PolarHBondContact O-N 2.93Å; D696-W698 PolarHBondContact OD1-N 2.86Å; W698-H739 HydrophobicContact CB-CB 4.12Å; W698-H739 WeakPolarHBondContact CB-ND1 3.31Å; W698-H739 AromaticContact CD1-CE1 3.27Å; W698-H739 AromaticContact CD1-ND1 3.6Å; W698-H739 AromaticContact CD2-CE1 3.54Å; W698-H739 AromaticContact CD2-NE2 3.48Å; W698-H739 AromaticContact CE2-CE1 3.67Å; W698-H739 AromaticContact CE2-NE2 3.76Å; W698-H739 AromaticContact CE3-NE2 3.83Å; W698-H739 AromaticContact CG-CE1 3.27Å; W698-H739 AromaticContact CG-CG 3.96Å; W698-H739 AromaticContact CG-ND1 3.46Å; W698-H739 AromaticContact CG-NE2 3.66Å; W698-H739 AromaticContact NE1-CE1 3.52Å
699	R	89.4	Confident	89.8	Confident	27 Å²	27	60.6 Å²	60.6	10%	0.102	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-91	-2.3	178.5	-61.6	-68.3	-64.1	177.4	-4.5	113.1	D696 K697 G701 R702 W718 D738 H739	D696-R699 HydrophobicContact CB-CG 4.32Å; D696-R699 WeakPolarHBondContact O-CA 3.44Å; D696-R699 WeakPolarHBondContact O-CB 3.42Å; D696-R699 PolarHBondContact O-N 3.13Å; K697-R699 PolarHBondContact O-N 3.08Å; R699-G701 PolarHBondContact O-N 2.91Å; R699-R702 PolarHBondContact O-N 2.89Å; R699-W718 HydrophobicContact CB-CZ3 4.06Å; R699-D738 WeakPolarHBondContact CD-O 2.94Å; R699-D738 PolarHBondContact NH1-O 2.77Å; R699-H739 HydrophobicContact CG-CB 4.05Å
700	F	87.6	Confident	89.7	Confident	135 Å²	135	63.8 Å²	63.8	59%	0.592	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	123.5	-177.8	-174.5	-92.1	0	0	0	111.5	K697 R702 W718	K697-F700 VanDerWaalsContact O-CB 3.24Å; K697-F700 WeakPolarHBondContact O-CB 3.47Å; K697-F700 PolarHBondContact O-N 2.87Å; F700-R702 PolarHBondContact O-N 2.73Å; F700-W718 HydrophobicContact CB-CD2 4.38Å; F700-W718 HydrophobicContact CB-CE3 4.19Å; F700-W718 HydrophobicContact CB-CZ3 4.29Å; F700-W718 AromaticContact CD2-CD1 3.73Å; F700-W718 AromaticContact CD2-CD2 3.63Å; F700-W718 HydrophobicContact CD2-CD2 3.63Å; F700-W718 AromaticContact CD2-CE2 3.46Å; F700-W718 VanDerWaalsContact CD2-CE2 3.46Å; F700-W718 HydrophobicContact CD2-CE3 4.27Å; F700-W718 AromaticContact CD2-CG 3.78Å; F700-W718 HydrophobicContact CD2-CG 3.78Å; F700-W718 AromaticContact CD2-CZ2 3.94Å; F700-W718 HydrophobicContact CD2-CZ2 3.94Å; F700-W718 AromaticContact CD2-NE1 3.54Å; F700-W718 AromaticContact CE2-CD1 3.89Å; F700-W718 HydrophobicContact CE2-CD2 4.46Å; F700-W718 AromaticContact CE2-CE2 4Å; F700-W718 HydrophobicContact CE2-CG 4.38Å; F700-W718 AromaticContact CE2-NE1 3.64Å; F700-W718 HydrophobicContact CG-CD2 4.5Å
701	G	85.1	Confident	89.5	Confident	73 Å²	73	64.2 Å²	64.2	75%	0.753	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	-0.2	-177.4	0	0	0	0	0	115.9	R699	R699-G701 PolarHBondContact O-N 2.91Å
702	R	85.6	Confident	89	Confident	113 Å²	113	65.5 Å²	65.5	43%	0.426	33%	0.33	S	S	.	.			trans	-110.5	11.9	-177	-58.5	-177.3	-175.1	-142.6	-0	113.6	R699 F700 V704	R699-R702 PolarHBondContact O-N 2.89Å; F700-R702 PolarHBondContact O-N 2.73Å; R702-V704 PolarHBondContact O-N 3Å
703	E	85.1	Confident	88.1	Confident	60 Å²	60	67.4 Å²	67.4	28%	0.28	34%	0.341	S	S	.	.			trans	-75.9	83.7	-178.1	-60.5	-169.5	133.9	0	0	113	W718 R936	E703-W718 VanDerWaalsContact CD-CH2 3.46Å; E703-W718 HydrophobicContact CG-CH2 3.87Å; E703-W718 WeakPolarHBondContact OE1-CH2 3.49Å; E703-R936 WeakPolarHBondContact OE1-CD 3.13Å; E703-R936 IonicContact OE1-CZ 2.68Å; E703-R936 IonicContact OE1-NE 2.99Å; E703-R936 PolarHBondContact OE1-NE 2.83Å; E703-R936 IonicContact OE2-CZ 3.12Å; E703-R936 IonicContact OE2-NE 3.18Å; E703-R936 PolarHBondContact OE2-NE 2.78Å; E703-R936 IonicContact OE2-NH2 3.64Å; E703-R936 PolarHBondContact OE2-NH2 2.72Å
704	V	86.1	Confident	86.8	Confident	137 Å²	137	68 Å²	68	83%	0.83	34%	0.342	S	S	*	.			trans	-94.3	103.5	174.6	-175	0	0	0	0	110.2	R702	R702-V704 PolarHBondContact O-N 3Å
705	V	86.9	Confident	85.6	Confident	44 Å²	44	67.8 Å²	67.8	27%	0.267	34%	0.34	S	S	.	.			trans	-143.3	150.7	-173.5	176.3	0	0	0	0	110.7	D709 I710	V705-D709 HydrophobicContact CG1-CB 3.5Å; V705-I710 HydrophobicContact CG1-CG1 4.24Å
706	R	87.5	Confident	84.9	Confident	134 Å²	134	74.3 Å²	74.3	51%	0.506	38%	0.375	S	S	.	.			trans	-65.8	147	176.4	-48.5	-176	-163.3	113.2	-9.4	111.1	S708 D709 I710 V940	R706-S708 PolarHBondContact O-N 2.79Å; R706-S708 VanDerWaalsContact O-N 3.08Å; R706-D709 HydrophobicContact CB-CB 4.3Å; R706-D709 IonicContact CZ-OD2 3.75Å; R706-D709 IonicContact NE-OD2 3.69Å; R706-D709 IonicContact NH1-OD1 3.27Å; R706-D709 IonicContact NH1-OD2 3.76Å; R706-D709 PolarHBondContact NH1-OD2 3.15Å; R706-D709 WeakPolarHBondContact O-CB 3.19Å; R706-D709 PolarHBondContact O-N 3.28Å; R706-I710 PolarHBondContact O-N 2.9Å; R706-V940 PolarHBondContact NH1-O 2.93Å
707	R	88.9	Confident	84.4	Confident	239 Å²	239	80.2 Å²	80.2	90%	0.902	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-27.9	176.2	-66.8	-175.1	176.8	100	-0.4	114.2	D709	R707-D709 PolarHBondContact O-N 3.02Å
708	S	86.3	Confident	84.3	Confident	81 Å²	81	78.7 Å²	78.7	57%	0.566	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-9.6	174.8	53.9	0	0	0	0	114.8	R706 K948	R706-S708 PolarHBondContact O-N 2.79Å; R706-S708 VanDerWaalsContact O-N 3.08Å; S708-K948 PolarHBondContact O-NZ 2.97Å
709	D	90.6	Very high	84.4	Confident	4 Å²	4	75.7 Å²	75.7	2%	0.021	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-11.1	-167.7	-57.8	-0.9	0	0	0	111.9	V705 R706 R707 S937 I938 S939 K948	V705-D709 HydrophobicContact CG1-CB 3.5Å; R706-D709 HydrophobicContact CB-CB 4.3Å; R706-D709 IonicContact CZ-OD2 3.75Å; R706-D709 IonicContact NE-OD2 3.69Å; R706-D709 IonicContact NH1-OD1 3.27Å; R706-D709 IonicContact NH1-OD2 3.76Å; R706-D709 PolarHBondContact NH1-OD2 3.15Å; R706-D709 WeakPolarHBondContact O-CB 3.19Å; R706-D709 PolarHBondContact O-N 3.28Å; R707-D709 PolarHBondContact O-N 3.02Å; D709-S937 CarbonylContact O-C 3.54Å; D709-S937 WeakPolarHBondContact O-CA 3.26Å; D709-S937 WeakPolarHBondContact O-CB 3.38Å; D709-I938 WeakPolarHBondContact CB-O 3.11Å; D709-I938 PolarHBondContact O-N 2.91Å; D709-S939 VanDerWaalsContact CB-OG 3.28Å; D709-S939 WeakPolarHBondContact CB-OG 3.46Å; D709-S939 VanDerWaalsContact CG-OG 3.32Å; D709-S939 WeakPolarHBondContact OD2-CB 3.47Å; D709-S939 PolarHBondContact OD2-OG 3.28Å; D709-K948 VanDerWaalsContact CG-NZ 3.29Å; D709-K948 IonicContact OD1-NZ 2.78Å; D709-K948 PolarHBondContact OD1-NZ 2.85Å
710	I	90	Very high	84.5	Confident	93 Å²	93	75.4 Å²	75.4	48%	0.477	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-74.4	138.4	173.3	-59	170.2	0	0	0	110	V705 R706	V705-I710 HydrophobicContact CG1-CG1 4.24Å; R706-I710 PolarHBondContact O-N 2.9Å
711	L	89.1	Confident	84.7	Confident	10 Å²	10	69.6 Å²	69.6	5%	0.052	36%	0.36	C	S	.	.			trans	-113.3	148.1	178	-49.3	-179.2	0	0	0	111.1	F192 V713 V935 R936 I938 K948 V950	F192-L711 HydrophobicContact CE1-CD2 4.06Å; F192-L711 HydrophobicContact CE2-CD2 4.25Å; F192-L711 HydrophobicContact CZ-CB 3.85Å; F192-L711 HydrophobicContact CZ-CD2 3.4Å; F192-L711 VanDerWaalsContact CZ-CD2 3.4Å; F192-L711 HydrophobicContact CZ-CG 4.15Å; L711-V713 PolarHBondContact O-N 3.09Å; L711-V713 VanDerWaalsContact O-N 3.17Å; L711-V935 HydrophobicContact CD1-CB 4.47Å; L711-V935 HydrophobicContact CD1-CG1 3.85Å; L711-R936 PolarHBondContact N-O 2.97Å; L711-I938 HydrophobicContact CD1-CD1 3.93Å; L711-I938 HydrophobicContact CD1-CG1 3.99Å; L711-K948 HydrophobicContact CD2-CB 4.23Å; L711-V950 HydrophobicContact CD1-CG2 3.38Å
712	P	83.1	Confident	84.9	Confident	60 Å²	60	69.3 Å²	69.3	39%	0.39	34%	0.338	S	S	.	.			trans	-58.8	118.3	171.1	-26.5	36.8	0	0	0	111.1	P191 F192	P191-P712 HydrophobicContact CB-CB 4.24Å; P191-P712 HydrophobicContact CB-CG 4.03Å; P191-P712 HydrophobicContact CG-CB 4.09Å; P191-P712 HydrophobicContact CG-CG 3.93Å; F192-P712 HydrophobicContact CE1-CG 4.1Å; F192-P712 HydrophobicContact CZ-CG 4.15Å
713	V	76	Confident	85.1	Confident	42 Å²	42	68.9 Å²	68.9	26%	0.255	34%	0.34	S	S	.	.			trans	-78.6	143.9	-176	-164	0	0	0	0	109.7	L711 H715 T934 R936	L711-V713 PolarHBondContact O-N 3.09Å; L711-V713 VanDerWaalsContact O-N 3.17Å; V713-H715 WeakPolarHBondContact CG1-O 3.24Å; V713-T934 HydrophobicContact CG1-CG2 4.13Å; V713-T934 WeakPolarHBondContact CG1-OG1 3.49Å; V713-R936 HydrophobicContact CG1-CG 4.14Å; V713-R936 HydrophobicContact CG2-CG 4.1Å
714	M	66.8	Low	85.4	Confident	24 Å²	24	68 Å²	68	12%	0.118	34%	0.339	C	S	.	.	S	Bend	trans	-83.4	-34.8	175.7	-67.4	-72.1	-64.2	0	0	112.2	S796 R798 S927 T934 Y952	M714-S796 WeakPolarHBondContact O-CA 3.46Å; M714-S796 WeakPolarHBondContact O-CB 3.46Å; M714-R798 PolarHBondContact SD-NH2 2.91Å; M714-S927 VanDerWaalsContact CE-O 3.26Å; M714-S927 WeakPolarHBondContact CE-O 3.48Å; M714-T934 HydrophobicContact CB-CG2 3.91Å; M714-Y952 HydrophobicContact CG-CD2 3.84Å; M714-Y952 HydrophobicContact CG-CE2 3.49Å; M714-Y952 VanDerWaalsContact CG-CE2 3.49Å; M714-Y952 HydrophobicContact SD-CD2 4.36Å; M714-Y952 HydrophobicContact SD-CE2 4.37Å
715	H	69	Low	85.8	Confident	5 Å²	5	65.2 Å²	65.2	2%	0.023	32%	0.317	C	S	.	.			trans	-141.8	131.6	-169.6	-51.6	-53.3	0	0	0	109	V713 E717 A795 S796 T929 T934	V713-H715 WeakPolarHBondContact CG1-O 3.24Å; H715-E717 PolarHBondContact O-N 2.8Å; H715-A795 WeakPolarHBondContact ND1-CB 3.35Å; H715-A795 PolarHBondContact ND1-O 3.12Å; H715-S796 PolarHBondContact CE1-N 2.83Å; H715-S796 PolarHBondContact ND1-N 3.48Å; H715-S796 VanDerWaalsContact ND1-N 3.19Å; H715-T929 PolarHBondContact CD2-OG1 2.95Å; H715-T929 PolarHBondContact NE2-OG1 2.68Å; H715-T929 VanDerWaalsContact NE2-OG1 3.15Å; H715-T934 HydrophobicContact CB-CG2 3.94Å
716	D	77.1	Confident	86.2	Confident	138 Å²	138	65.2 Å²	65.2	74%	0.738	31%	0.314	S	S	*	.			trans	-83.2	-1.8	176.1	-57.7	-51.4	0	0	0	112.7	W718	D716-W718 VanDerWaalsContact O-CD1 3.22Å
717	E	82.6	Confident	86.5	Confident	128 Å²	128	59 Å²	59	60%	0.598	29%	0.29	S	S	*	.			trans	-71.2	147.1	173.7	-174.4	167.8	-157.9	0	0	111.6	N695 H715	N695-E717 PolarHBondContact ND2-O 2.84Å; H715-E717 PolarHBondContact O-N 2.8Å
718	W	88.9	Confident	86.6	Confident	37 Å²	37	50.3 Å²	50.3	14%	0.14	27%	0.267	C	S	.	.			trans	-112.9	132.3	-179.8	-71	76.8	0	0	0	109.9	N695 D696 K697 R699 F700 E703 D716	N695-W718 HydrophobicContact CB-CD2 4.38Å; N695-W718 HydrophobicContact CB-CE3 4.22Å; N695-W718 CarbonylContact O-C 3.55Å; N695-W718 WeakPolarHBondContact O-CA 3.4Å; D696-W718 VanDerWaalsContact O-CZ3 3.24Å; D696-W718 WeakPolarHBondContact O-CZ3 2.94Å; K697-W718 WeakPolarHBondContact CE-O 3.44Å; K697-W718 HydrophobicContact CG-CB 3.85Å; R699-W718 HydrophobicContact CB-CZ3 4.06Å; F700-W718 HydrophobicContact CB-CD2 4.38Å; F700-W718 HydrophobicContact CB-CE3 4.19Å; F700-W718 HydrophobicContact CB-CZ3 4.29Å; F700-W718 AromaticContact CD2-CD1 3.73Å; F700-W718 AromaticContact CD2-CD2 3.63Å; F700-W718 HydrophobicContact CD2-CD2 3.63Å; F700-W718 AromaticContact CD2-CE2 3.46Å; F700-W718 VanDerWaalsContact CD2-CE2 3.46Å; F700-W718 HydrophobicContact CD2-CE3 4.27Å; F700-W718 AromaticContact CD2-CG 3.78Å; F700-W718 HydrophobicContact CD2-CG 3.78Å; F700-W718 AromaticContact CD2-CZ2 3.94Å; F700-W718 HydrophobicContact CD2-CZ2 3.94Å; F700-W718 AromaticContact CD2-NE1 3.54Å; F700-W718 AromaticContact CE2-CD1 3.89Å; F700-W718 HydrophobicContact CE2-CD2 4.46Å; F700-W718 AromaticContact CE2-CE2 4Å; F700-W718 HydrophobicContact CE2-CG 4.38Å; F700-W718 AromaticContact CE2-NE1 3.64Å; F700-W718 HydrophobicContact CG-CD2 4.5Å; E703-W718 VanDerWaalsContact CD-CH2 3.46Å; E703-W718 HydrophobicContact CG-CH2 3.87Å; E703-W718 WeakPolarHBondContact OE1-CH2 3.49Å; D716-W718 VanDerWaalsContact O-CD1 3.22Å
719	I	91	Very high	86.8	Confident	6 Å²	6	47 Å²	47	3%	0.031	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-98.6	148.8	-171.5	61.7	161.2	0	0	0	111.7	N695 K697 I721 F756 V758 S931 A933	N695-I719 WeakPolarHBondContact O-CG1 3.44Å; N695-I719 PolarHBondContact O-N 2.77Å; K697-I719 WeakPolarHBondContact CG-O 3.45Å; K697-I719 PolarHBondContact N-O 3.43Å; I719-I721 HydrophobicContact CD1-CD1 4.3Å; I719-I721 HydrophobicContact CD1-CG1 3.79Å; I719-I721 HydrophobicContact CG1-CG1 4.15Å; I719-F756 HydrophobicContact CD1-CE2 3.59Å; I719-F756 HydrophobicContact CD1-CZ 3.85Å; I719-V758 HydrophobicContact CB-CG1 4.36Å; I719-V758 HydrophobicContact CB-CG2 4.45Å; I719-V758 HydrophobicContact CD1-CG2 4.2Å; I719-S931 WeakPolarHBondContact CG2-O 3.29Å; I719-A933 HydrophobicContact CD1-CB 3.85Å
720	N	90.5	Very high	87	Confident	20 Å²	20	47.4 Å²	47.4	11%	0.107	25%	0.246	C	C	.	.			trans	-93.7	104.8	169.6	-176.9	10.6	0	0	0	108.4	E459 K697 Q722	E459-N720 WeakPolarHBondContact OE2-CB 3.39Å; E459-N720 PolarHBondContact OE2-ND2 2.92Å; K697-N720 HydrophobicContact CD-CB 4.28Å; N720-Q722 PolarHBondContact ND2-NE2 2.8Å; N720-Q722 PolarHBondContact O-N 2.65Å; N720-Q722 PolarHBondContact OD1-NE2 3.26Å
721	I	92.1	Very high	87.1	Confident	14 Å²	14	46 Å²	46	7%	0.072	24%	0.237	C	C	.	.			trans	-74.2	119.4	-179.6	-65	-174.4	0	0	0	109.3	L694 D696 I719 P724 F756	L694-I721 HydrophobicContact CD1-CD1 4.12Å; D696-I721 HydrophobicContact CB-CD1 3.75Å; D696-I721 HydrophobicContact CB-CG1 4.2Å; I719-I721 HydrophobicContact CD1-CD1 4.3Å; I719-I721 HydrophobicContact CD1-CG1 3.79Å; I719-I721 HydrophobicContact CG1-CG1 4.15Å; I721-P724 HydrophobicContact CG2-CB 4Å; I721-P724 HydrophobicContact CG2-CG 4.29Å; I721-F756 HydrophobicContact CG1-CD2 4.24Å; I721-F756 HydrophobicContact CG1-CE2 4.25Å; I721-F756 HydrophobicContact CG2-CB 3.75Å; I721-F756 HydrophobicContact CG2-CD1 4.4Å; I721-F756 HydrophobicContact CG2-CD2 4.11Å; I721-F756 HydrophobicContact CG2-CG 3.85Å
722	Q	90.1	Very high	87.3	Confident	66 Å²	66	48.3 Å²	48.3	31%	0.308	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	135.3	-176.8	-68.2	-68.8	-35.4	0	0	110.7	L465 N720 R757	L465-Q722 HydrophobicContact CD1-CB 4.07Å; L465-Q722 HydrophobicContact CD1-CG 3.87Å; N720-Q722 PolarHBondContact ND2-NE2 2.8Å; N720-Q722 PolarHBondContact O-N 2.65Å; N720-Q722 PolarHBondContact OD1-NE2 3.26Å; Q722-R757 WeakPolarHBondContact CB-O 3.2Å; Q722-R757 PolarHBondContact N-O 2.89Å; Q722-R757 PolarHBondContact O-N 2.8Å
723	K	88.9	Confident	87.8	Confident	104 Å²	104	51.5 Å²	51.5	45%	0.452	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	46.8	59.8	-177.5	-59	-176.2	180	177.6	0	113.7	L465 D466	L465-K723 PolarHBondContact O-NZ 3.41Å; D466-K723 IonicContact OD1-NZ 2.82Å; D466-K723 PolarHBondContact OD1-NZ 3.02Å
724	P	93	Very high	88.5	Confident	42 Å²	42	52.3 Å²	52.3	27%	0.273	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	132.1	175.3	31.5	-34.7	0	0	0	111	I721 F726 L754 R755 F756	I721-P724 HydrophobicContact CG2-CB 4Å; I721-P724 HydrophobicContact CG2-CG 4.29Å; P724-F726 HydrophobicContact CB-CE1 4.29Å; P724-F726 HydrophobicContact CB-CE2 3.83Å; P724-F726 HydrophobicContact CB-CZ 3.56Å; P724-F726 HydrophobicContact CG-CE2 3.92Å; P724-F726 HydrophobicContact CG-CZ 3.87Å; P724-L754 HydrophobicContact CB-CD1 3.83Å; P724-R755 CarbonylContact C-O 3.58Å; P724-R755 WeakPolarHBondContact CA-O 3.33Å; P724-F756 HydrophobicContact CB-CB 4.29Å
725	E	94.2	Very high	89.7	Confident	78 Å²	78	52.3 Å²	52.3	36%	0.364	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	133.8	165.4	-65.2	176.9	-105.5	0	0	108.4	M634 L754 R755	M634-E725 HydrophobicContact CE-CB 4.16Å; M634-E725 WeakPolarHBondContact CE-O 3.4Å; E725-L754 WeakPolarHBondContact O-CA 3.24Å; E725-L754 WeakPolarHBondContact O-CD1 3.02Å; E725-R755 HydrophobicContact CB-CG 3.85Å; E725-R755 VanDerWaalsContact CD-NE 3.26Å; E725-R755 PolarHBondContact N-O 2.82Å; E725-R755 PolarHBondContact O-N 3.03Å; E725-R755 IonicContact OE1-CZ 3.21Å; E725-R755 IonicContact OE1-NE 2.83Å; E725-R755 PolarHBondContact OE1-NE 2.93Å; E725-R755 IonicContact OE1-NH2 2.81Å; E725-R755 PolarHBondContact OE1-NH2 2.88Å; E725-R755 IonicContact OE2-CZ 3.83Å; E725-R755 IonicContact OE2-NE 3.19Å; E725-R755 PolarHBondContact OE2-NE 2.84Å; E725-R755 IonicContact OE2-NH2 2.79Å; E725-R755 PolarHBondContact OE2-NH2 2.83Å
726	F	94.5	Very high	90.7	Very high	44 Å²	44	59.1 Å²	59.1	19%	0.193	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	151.4	-176.6	-58.2	-80.1	0	0	0	112.1	P724 V730 M732 Y735 L741 L754	P724-F726 HydrophobicContact CB-CE1 4.29Å; P724-F726 HydrophobicContact CB-CE2 3.83Å; P724-F726 HydrophobicContact CB-CZ 3.56Å; P724-F726 HydrophobicContact CG-CE2 3.92Å; P724-F726 HydrophobicContact CG-CZ 3.87Å; F726-V730 HydrophobicContact CB-CB 4.35Å; F726-V730 HydrophobicContact CB-CG2 4.39Å; F726-V730 HydrophobicContact CD1-CB 4.48Å; F726-V730 HydrophobicContact CD1-CG1 4.21Å; F726-V730 HydrophobicContact CD1-CG2 4.44Å; F726-M732 HydrophobicContact CB-CE 3.71Å; F726-M732 HydrophobicContact CB-SD 4.31Å; F726-M732 HydrophobicContact CD1-CE 4.03Å; F726-M732 HydrophobicContact CD2-CE 3.69Å; F726-M732 HydrophobicContact CD2-SD 3.65Å; F726-M732 HydrophobicContact CE2-CE 4.35Å; F726-M732 HydrophobicContact CE2-SD 4.27Å; F726-M732 HydrophobicContact CG-CE 3.51Å; F726-M732 HydrophobicContact CG-SD 4.08Å; F726-Y735 HydrophobicContact CE1-CD1 4.42Å; F726-Y735 HydrophobicContact CE1-CD2 4.18Å; F726-Y735 HydrophobicContact CE1-CE1 4.41Å; F726-Y735 HydrophobicContact CE1-CE2 4.13Å; F726-Y735 HydrophobicContact CE1-CG 4.32Å; F726-Y735 HydrophobicContact CE2-CD1 4.04Å; F726-Y735 AromaticContact CE2-CE1 3.95Å; F726-Y735 HydrophobicContact CE2-CE1 3.95Å; F726-Y735 AromaticContact CZ-CD1 3.63Å; F726-Y735 HydrophobicContact CZ-CD1 3.63Å; F726-Y735 HydrophobicContact CZ-CD2 4.08Å; F726-Y735 AromaticContact CZ-CE1 3.42Å; F726-Y735 HydrophobicContact CZ-CE1 3.42Å; F726-Y735 VanDerWaalsContact CZ-CE1 3.42Å; F726-Y735 AromaticContact CZ-CE2 3.86Å; F726-Y735 HydrophobicContact CZ-CE2 3.86Å; F726-Y735 AromaticContact CZ-CG 3.97Å; F726-Y735 HydrophobicContact CZ-CG 3.97Å; F726-Y735 AromaticContact CZ-CZ 3.54Å; F726-L741 HydrophobicContact CD1-CD2 4.18Å; F726-L741 HydrophobicContact CE1-CD2 3.58Å; F726-L754 HydrophobicContact CD1-CB 4.48Å; F726-L754 HydrophobicContact CD1-CD1 3.8Å; F726-L754 HydrophobicContact CE1-CD1 3.56Å; F726-L754 HydrophobicContact CE1-CD2 4.38Å; F726-L754 HydrophobicContact CE1-CG 4.44Å; F726-L754 HydrophobicContact CZ-CD1 4.2Å
727	H	94.1	Very high	91.3	Very high	3 Å²	3	57.3 Å²	57.3	1%	0.014	28%	0.279	C	S	.	.			trans	-68.8	148.9	162	-168	-84	0	0	0	110.3	M634 C729 V730 F751 E752 L753	M634-H727 PolarHBondContact O-CD2 3.34Å; H727-C729 PolarHBondContact ND1-N 3.37Å; H727-C729 PolarHBondContact ND1-SG 3.39Å; H727-C729 PolarHBondContact O-N 2.97Å; H727-V730 PolarHBondContact O-N 2.76Å; H727-V730 VanDerWaalsContact O-N 3.17Å; H727-F751 HydrophobicContact CB-CD2 4.4Å; H727-F751 HydrophobicContact CB-CE2 4.44Å; H727-F751 AromaticContact CD2-CD2 3.88Å; H727-F751 AromaticContact CG-CD2 3.9Å; H727-E752 WeakPolarHBondContact CB-O 3.26Å; H727-E752 PolarHBondContact CD2-O 3.06Å; H727-L753 WeakPolarHBondContact CB-O 3.42Å; H727-L753 PolarHBondContact N-O 3.25Å
728	S	90.9	Very high	91.5	Very high	58 Å²	58	53.9 Å²	53.9	41%	0.406	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	7	178.8	68.8	0	0	0	0	116	I636 S638	I636-S728 PolarHBondContact O-OG 2.73Å; S638-S728 PolarHBondContact N-OG 2.93Å; S638-S728 PolarHBondContact OG-O 2.79Å
729	C	91.2	Very high	91.6	Very high	11 Å²	11	53.5 Å²	53.5	7%	0.074	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-9.2	177.9	66.6	0	0	0	0	113.7	H727 F743 Y744 F751	H727-C729 PolarHBondContact ND1-N 3.37Å; H727-C729 PolarHBondContact ND1-SG 3.39Å; H727-C729 PolarHBondContact O-N 2.97Å; C729-F743 WeakPolarHBondContact O-CA 3.42Å; C729-F743 VanDerWaalsContact O-CB 3.27Å; C729-F743 WeakPolarHBondContact O-CB 3.36Å; C729-Y744 WeakPolarHBondContact CB-O 2.95Å; C729-Y744 PolarHBondContact O-N 3.06Å; C729-F751 VanDerWaalsContact SG-CE2 3.56Å
730	V	93.2	Very high	91.5	Very high	13 Å²	13	55.5 Å²	55.5	8%	0.079	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-80.9	135.7	177.5	-174.5	0	0	0	0	109.4	F726 H727 M732 L741 F743 L753	F726-V730 HydrophobicContact CB-CB 4.35Å; F726-V730 HydrophobicContact CB-CG2 4.39Å; F726-V730 HydrophobicContact CD1-CB 4.48Å; F726-V730 HydrophobicContact CD1-CG1 4.21Å; F726-V730 HydrophobicContact CD1-CG2 4.44Å; H727-V730 PolarHBondContact O-N 2.76Å; H727-V730 VanDerWaalsContact O-N 3.17Å; V730-M732 HydrophobicContact CB-CE 3.57Å; V730-M732 HydrophobicContact CG1-CE 3.47Å; V730-M732 VanDerWaalsContact CG1-CE 3.47Å; V730-M732 PolarHBondContact O-N 2.87Å; V730-L741 HydrophobicContact CG1-CD2 4.39Å; V730-F743 HydrophobicContact CB-CB 4.47Å; V730-F743 HydrophobicContact CG2-CB 4.16Å; V730-L753 HydrophobicContact CG2-CD1 3.56Å; V730-L753 HydrophobicContact CG2-CG 4.26Å
731	Q	92.8	Very high	91.6	Very high	62 Å²	62	54.7 Å²	54.7	29%	0.29	27%	0.271	S	S	.	.			trans	-80.6	103.8	177.6	-63.3	-178.9	-92.5	0	0	109.1	H689 D733 E734 Y735 Q742	H689-Q731 PolarHBondContact CE1-OE1 3.15Å; H689-Q731 PolarHBondContact ND1-OE1 3.35Å; Q731-D733 VanDerWaalsContact C-N 3.32Å; Q731-D733 PolarHBondContact O-N 3.02Å; Q731-E734 PolarHBondContact O-N 2.75Å; Q731-Y735 PolarHBondContact O-N 3.33Å; Q731-Q742 PolarHBondContact N-O 3.23Å; Q731-Q742 VanDerWaalsContact OE1-CG 3.26Å; Q731-Q742 VanDerWaalsContact OE1-NE2 3.13Å
732	M	93.3	Very high	91.7	Very high	60 Å²	60	55.7 Å²	55.7	30%	0.296	28%	0.275	S	S	.	.	H	α-helix	trans	-62	-39.9	-176.1	-63.2	-65.6	87.7	0	0	111.8	F726 V730 E734 Y735 E736	F726-M732 HydrophobicContact CB-CE 3.71Å; F726-M732 HydrophobicContact CB-SD 4.31Å; F726-M732 HydrophobicContact CD1-CE 4.03Å; F726-M732 HydrophobicContact CD2-CE 3.69Å; F726-M732 HydrophobicContact CD2-SD 3.65Å; F726-M732 HydrophobicContact CE2-CE 4.35Å; F726-M732 HydrophobicContact CE2-SD 4.27Å; F726-M732 HydrophobicContact CG-CE 3.51Å; F726-M732 HydrophobicContact CG-SD 4.08Å; V730-M732 HydrophobicContact CB-CE 3.57Å; V730-M732 HydrophobicContact CG1-CE 3.47Å; V730-M732 VanDerWaalsContact CG1-CE 3.47Å; V730-M732 PolarHBondContact O-N 2.87Å; M732-E734 VanDerWaalsContact C-N 3.29Å; M732-E734 PolarHBondContact O-N 2.77Å; M732-Y735 CarbonylContact O-C 3.58Å; M732-Y735 WeakPolarHBondContact O-CA 3.46Å; M732-Y735 WeakPolarHBondContact O-CB 3.44Å; M732-Y735 PolarHBondContact O-N 3.09Å; M732-E736 PolarHBondContact O-N 2.93Å
733	D	93	Very high	91.9	Very high	127 Å²	127	52.6 Å²	52.6	68%	0.679	26%	0.26	S	S	*	.	H	α-helix	trans	-53.5	-40.8	-178.7	-46.2	-24.9	0	0	0	113.6	Q731 K737	Q731-D733 VanDerWaalsContact C-N 3.32Å; Q731-D733 PolarHBondContact O-N 3.02Å; D733-K737 VanDerWaalsContact O-CB 3.23Å; D733-K737 WeakPolarHBondContact O-CB 3.44Å; D733-K737 PolarHBondContact O-N 2.89Å
734	E	90.9	Very high	92	Very high	59 Å²	59	51.3 Å²	51.3	28%	0.276	25%	0.253	S	S	.	.	H	α-helix	trans	-81.7	-23.2	178.9	-63.7	-70.3	-167.7	0	0	112.7	Q731 M732 K737 D738 M740	Q731-E734 PolarHBondContact O-N 2.75Å; M732-E734 VanDerWaalsContact C-N 3.29Å; M732-E734 PolarHBondContact O-N 2.77Å; E734-K737 IonicContact OE2-NZ 2.75Å; E734-K737 PolarHBondContact OE2-NZ 3.29Å; E734-D738 PolarHBondContact O-N 2.9Å; E734-D738 VanDerWaalsContact O-N 3.13Å; E734-M740 PolarHBondContact O-N 3.42Å
735	Y	92.4	Very high	91.8	Very high	24 Å²	24	50.1 Å²	50.1	9%	0.094	25%	0.246	C	C	.	.	H	α-helix	trans	-74.9	-47.6	171.9	-178.6	-95.3	0	0	0	111.3	F726 Q731 M732 K737 H739 L741	F726-Y735 HydrophobicContact CE1-CD1 4.42Å; F726-Y735 HydrophobicContact CE1-CD2 4.18Å; F726-Y735 HydrophobicContact CE1-CE1 4.41Å; F726-Y735 HydrophobicContact CE1-CE2 4.13Å; F726-Y735 HydrophobicContact CE1-CG 4.32Å; F726-Y735 HydrophobicContact CE2-CD1 4.04Å; F726-Y735 AromaticContact CE2-CE1 3.95Å; F726-Y735 HydrophobicContact CE2-CE1 3.95Å; F726-Y735 AromaticContact CZ-CD1 3.63Å; F726-Y735 HydrophobicContact CZ-CD1 3.63Å; F726-Y735 HydrophobicContact CZ-CD2 4.08Å; F726-Y735 AromaticContact CZ-CE1 3.42Å; F726-Y735 HydrophobicContact CZ-CE1 3.42Å; F726-Y735 VanDerWaalsContact CZ-CE1 3.42Å; F726-Y735 AromaticContact CZ-CE2 3.86Å; F726-Y735 HydrophobicContact CZ-CE2 3.86Å; F726-Y735 AromaticContact CZ-CG 3.97Å; F726-Y735 HydrophobicContact CZ-CG 3.97Å; F726-Y735 AromaticContact CZ-CZ 3.54Å; Q731-Y735 PolarHBondContact O-N 3.33Å; M732-Y735 CarbonylContact O-C 3.58Å; M732-Y735 WeakPolarHBondContact O-CA 3.46Å; M732-Y735 WeakPolarHBondContact O-CB 3.44Å; M732-Y735 PolarHBondContact O-N 3.09Å; Y735-K737 VanDerWaalsContact C-N 3.25Å; Y735-K737 PolarHBondContact O-N 2.85Å; Y735-H739 HydrophobicContact CE2-CB 4.37Å; Y735-H739 AromaticContact CZ-ND1 3.93Å; Y735-H739 WeakPolarHBondContact O-CA 3.25Å; Y735-H739 PolarHBondContact O-CD2 3.35Å; Y735-H739 PolarHBondContact O-N 2.81Å; Y735-L741 HydrophobicContact CD2-CD2 3.52Å; Y735-L741 HydrophobicContact CD2-CG 4.34Å; Y735-L741 HydrophobicContact CE2-CD2 3.84Å; Y735-L741 HydrophobicContact CG-CD2 4.45Å
736	E	91.1	Very high	91.5	Very high	147 Å²	147	47.1 Å²	47.1	69%	0.687	23%	0.232	S	C	*	.	H	α-helix	trans	-63.1	-31.8	178.3	-69.9	179.6	-173.6	0	0	112.6	M732	M732-E736 PolarHBondContact O-N 2.93Å
737	K	88.7	Confident	91	Very high	100 Å²	100	47 Å²	47	44%	0.435	23%	0.233	S	C	.	.	H	α-helix	trans	-81.9	-52.6	-179.9	175.2	171.8	144.2	-80.4	0	113.8	D733 E734 Y735	D733-K737 VanDerWaalsContact O-CB 3.23Å; D733-K737 WeakPolarHBondContact O-CB 3.44Å; D733-K737 PolarHBondContact O-N 2.89Å; E734-K737 IonicContact OE2-NZ 2.75Å; E734-K737 PolarHBondContact OE2-NZ 3.29Å; Y735-K737 VanDerWaalsContact C-N 3.25Å; Y735-K737 PolarHBondContact O-N 2.85Å
738	D	86.7	Confident	90.3	Very high	56 Å²	56	47.5 Å²	47.5	30%	0.299	24%	0.24	S	C	.	.	H	α-helix	trans	-125.9	4.9	-168.4	-79.6	-51	0	0	0	113.6	R699 E734 M740	R699-D738 WeakPolarHBondContact CD-O 2.94Å; R699-D738 PolarHBondContact NH1-O 2.77Å; E734-D738 PolarHBondContact O-N 2.9Å; E734-D738 VanDerWaalsContact O-N 3.13Å; D738-M740 HydrophobicContact CB-CG 3.99Å; D738-M740 PolarHBondContact O-N 2.91Å
739	H	90.5	Very high	90.2	Very high	30 Å²	30	45.1 Å²	45.1	14%	0.139	22%	0.223	C	C	.	.			trans	55.1	32.2	-170.9	-76.1	-126.7	0	0	0	112.9	D696 W698 R699 Y735	D696-H739 IonicContact OD2-CE1 3.8Å; D696-H739 IonicContact OD2-CG 2.81Å; D696-H739 IonicContact OD2-ND1 3.75Å; D696-H739 PolarHBondContact OD2-ND1 3.13Å; W698-H739 HydrophobicContact CB-CB 4.12Å; W698-H739 WeakPolarHBondContact CB-ND1 3.31Å; W698-H739 AromaticContact CD1-CE1 3.27Å; W698-H739 AromaticContact CD1-ND1 3.6Å; W698-H739 AromaticContact CD2-CE1 3.54Å; W698-H739 AromaticContact CD2-NE2 3.48Å; W698-H739 AromaticContact CE2-CE1 3.67Å; W698-H739 AromaticContact CE2-NE2 3.76Å; W698-H739 AromaticContact CE3-NE2 3.83Å; W698-H739 AromaticContact CG-CE1 3.27Å; W698-H739 AromaticContact CG-CG 3.96Å; W698-H739 AromaticContact CG-ND1 3.46Å; W698-H739 AromaticContact CG-NE2 3.66Å; W698-H739 AromaticContact NE1-CE1 3.52Å; R699-H739 HydrophobicContact CG-CB 4.05Å; Y735-H739 HydrophobicContact CE2-CB 4.37Å; Y735-H739 AromaticContact CZ-ND1 3.93Å; Y735-H739 WeakPolarHBondContact O-CA 3.25Å; Y735-H739 PolarHBondContact O-CD2 3.35Å; Y735-H739 PolarHBondContact O-N 2.81Å
740	M	88.6	Confident	90.2	Very high	47 Å²	47	46.3 Å²	46.3	23%	0.232	23%	0.226	C	C	.	.			trans	-92	122.8	175.8	-66.3	-146.8	-57	0	0	111.8	V691 E734 D738 Q742	V691-M740 HydrophobicContact CG1-SD 4.42Å; E734-M740 PolarHBondContact O-N 3.42Å; D738-M740 HydrophobicContact CB-CG 3.99Å; D738-M740 PolarHBondContact O-N 2.91Å; M740-Q742 VanDerWaalsContact C-N 3.31Å; M740-Q742 PolarHBondContact O-N 2.66Å
741	L	94.2	Very high	90.2	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.021	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	78.1	174.3	-59.9	173.1	0	0	0	109.8	V691 L692 L694 F726 V730 Y735 L754	V691-L741 WeakPolarHBondContact CA-O 3.45Å; L692-L741 HydrophobicContact CB-CB 4.06Å; L692-L741 HydrophobicContact CB-CD1 4.49Å; L692-L741 HydrophobicContact CD2-CD1 4.1Å; L692-L741 PolarHBondContact N-O 2.93Å; L694-L741 HydrophobicContact CD1-CD1 3.57Å; L694-L741 HydrophobicContact CG-CD1 3.88Å; F726-L741 HydrophobicContact CD1-CD2 4.18Å; F726-L741 HydrophobicContact CE1-CD2 3.58Å; V730-L741 HydrophobicContact CG1-CD2 4.39Å; Y735-L741 HydrophobicContact CD2-CD2 3.52Å; Y735-L741 HydrophobicContact CD2-CG 4.34Å; Y735-L741 HydrophobicContact CE2-CD2 3.84Å; Y735-L741 HydrophobicContact CG-CD2 4.45Å; L741-L754 HydrophobicContact CD1-CD2 3.6Å; L741-L754 HydrophobicContact CD2-CD2 4.15Å
742	Q	94	Very high	90.3	Very high	35 Å²	35	43.8 Å²	43.8	16%	0.164	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	130.6	173	-169.1	172.2	-38.3	0	0	110.5	H689 I690 V691 Q731 M740	H689-Q742 HydrophobicContact CB-CG 4.36Å; H689-Q742 PolarHBondContact ND1-NE2 3.31Å; I690-Q742 WeakPolarHBondContact O-CA 3.4Å; V691-Q742 HydrophobicContact CG2-CB 4.14Å; V691-Q742 HydrophobicContact CG2-CG 3.86Å; Q731-Q742 PolarHBondContact N-O 3.23Å; Q731-Q742 VanDerWaalsContact OE1-CG 3.26Å; Q731-Q742 VanDerWaalsContact OE1-NE2 3.13Å; M740-Q742 VanDerWaalsContact C-N 3.31Å; M740-Q742 PolarHBondContact O-N 2.66Å
743	F	93.6	Very high	90.4	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	162.7	-177.2	63	-80.4	0	0	0	112.5	C680 I690 L692 C729 V730 P745 F751 L753	C680-F743 HydrophobicContact CB-CE2 4.43Å; C680-F743 HydrophobicContact CB-CZ 4.48Å; I690-F743 HydrophobicContact CB-CE1 4.03Å; I690-F743 HydrophobicContact CB-CE2 4.13Å; I690-F743 HydrophobicContact CB-CZ 3.82Å; I690-F743 HydrophobicContact CD1-CE2 4.44Å; I690-F743 HydrophobicContact CG2-CE1 3.78Å; I690-F743 HydrophobicContact CG2-CE2 4.36Å; I690-F743 HydrophobicContact CG2-CZ 3.59Å; I690-F743 PolarHBondContact N-O 2.96Å; I690-F743 WeakPolarHBondContact O-CD1 3.34Å; I690-F743 PolarHBondContact O-N 2.83Å; L692-F743 HydrophobicContact CB-CE1 4.16Å; C729-F743 WeakPolarHBondContact O-CA 3.42Å; C729-F743 VanDerWaalsContact O-CB 3.27Å; C729-F743 WeakPolarHBondContact O-CB 3.36Å; V730-F743 HydrophobicContact CB-CB 4.47Å; V730-F743 HydrophobicContact CG2-CB 4.16Å; F743-P745 HydrophobicContact CE2-CB 4.21Å; F743-F751 HydrophobicContact CD2-CZ 4.31Å; F743-F751 HydrophobicContact CE2-CZ 4.13Å; F743-L753 HydrophobicContact CB-CD1 4.31Å; F743-L753 HydrophobicContact CD1-CD1 3.9Å; F743-L753 HydrophobicContact CD1-CD2 4.09Å; F743-L753 HydrophobicContact CD2-CD1 3.68Å; F743-L753 HydrophobicContact CE1-CD1 4.07Å; F743-L753 HydrophobicContact CE1-CD2 3.55Å; F743-L753 HydrophobicContact CE1-CG 4.47Å; F743-L753 HydrophobicContact CE2-CD1 3.86Å; F743-L753 HydrophobicContact CE2-CD2 4.26Å; F743-L753 HydrophobicContact CG-CD1 3.71Å; F743-L753 HydrophobicContact CZ-CD1 4.06Å; F743-L753 HydrophobicContact CZ-CD2 3.65Å
744	Y	90.6	Very high	90.5	Very high	78 Å²	78	35 Å²	35	31%	0.306	17%	0.167	S	C	.	.			trans	-94.8	126.1	160	-67.6	-73.9	0	0	0	108.6	K640 G687 H689 C729	K640-Y744 VanDerWaalsContact NZ-CE2 3.27Å; K640-Y744 PolarHBondContact NZ-OH 3.29Å; G687-Y744 WeakPolarHBondContact O-CD1 3.39Å; H689-Y744 AromaticContact CD2-CE1 3.9Å; H689-Y744 AromaticContact CD2-CZ 3.91Å; H689-Y744 AromaticContact CE1-CE1 3.7Å; H689-Y744 AromaticContact CE1-CE2 3.37Å; H689-Y744 WeakPolarHBondContact CE1-CE2 3.28Å; H689-Y744 AromaticContact CE1-CZ 3.17Å; H689-Y744 PolarHBondContact CE1-OH 3.1Å; H689-Y744 AromaticContact ND1-CE1 3.89Å; H689-Y744 AromaticContact ND1-CZ 3.82Å; H689-Y744 AromaticContact NE2-CE1 3.69Å; H689-Y744 AromaticContact NE2-CE2 3.86Å; H689-Y744 AromaticContact NE2-CZ 3.2Å; H689-Y744 PolarHBondContact NE2-OH 2.66Å; C729-Y744 WeakPolarHBondContact CB-O 2.95Å; C729-Y744 PolarHBondContact O-N 3.06Å
745	P	89.3	Confident	90.8	Very high	17 Å²	17	32.4 Å²	32.4	11%	0.11	16%	0.155	C	C	.	.			trans	-67.9	149.6	177.8	29.2	-35.4	0	0	0	111.5	A682 V684 I690 F743 D747 F751	A682-P745 HydrophobicContact CB-CB 3.57Å; A682-P745 HydrophobicContact CB-CG 3.86Å; V684-P745 HydrophobicContact CG2-CG 3.95Å; I690-P745 HydrophobicContact CD1-CB 4.04Å; I690-P745 HydrophobicContact CD1-CG 3.73Å; I690-P745 HydrophobicContact CG1-CG 4.35Å; F743-P745 HydrophobicContact CE2-CB 4.21Å; P745-D747 PolarHBondContact O-N 2.58Å; P745-F751 HydrophobicContact CB-CE1 4.44Å
746	L	88.2	Confident	90.9	Very high	15 Å²	15	31.4 Å²	31.4	8%	0.079	15%	0.151	C	C	.	.			trans	-76	109.2	161.9	-57.9	-172.7	0	0	0	108.2	P544 C749 F751	P544-L746 HydrophobicContact CB-CD1 3.73Å; P544-L746 HydrophobicContact CG-CD1 3.96Å; L746-C749 WeakPolarHBondContact CB-SG 3.42Å; L746-C749 PolarHBondContact O-SG 2.84Å; L746-F751 HydrophobicContact CB-CD1 3.74Å; L746-F751 HydrophobicContact CB-CE1 3.94Å; L746-F751 HydrophobicContact CB-CG 4.28Å; L746-F751 HydrophobicContact CD1-CB 4.15Å; L746-F751 HydrophobicContact CD1-CD1 4.35Å; L746-F751 HydrophobicContact CD1-CD2 4.37Å; L746-F751 HydrophobicContact CD1-CG 4.05Å; L746-F751 HydrophobicContact CG-CD1 4.11Å; L746-F751 HydrophobicContact CG-CD2 4.44Å; L746-F751 HydrophobicContact CG-CE1 4.28Å; L746-F751 HydrophobicContact CG-CG 4.2Å
747	D	83.1	Confident	91	Very high	40 Å²	40	25.3 Å²	25.3	21%	0.214	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	137.4	-166.8	-166	15.5	0	0	0	112.5	L644 Y646 P745 C749	L644-D747 WeakPolarHBondContact CB-OD2 3.39Å; L644-D747 PolarHBondContact N-OD2 2.74Å; Y646-D747 WeakPolarHBondContact CE2-OD1 3.33Å; Y646-D747 VanDerWaalsContact CZ-OD1 3.29Å; Y646-D747 PolarHBondContact OH-OD1 3.32Å; Y646-D747 PolarHBondContact OH-OD2 3.33Å; P745-D747 PolarHBondContact O-N 2.58Å; D747-C749 PolarHBondContact O-N 3.14Å; D747-C749 VanDerWaalsContact O-N 3.16Å
748	G	80.9	Confident	91	Very high	15 Å²	15	21.1 Å²	21.1	16%	0.155	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	15.4	173.7	0	0	0	0	0	116.1	Y572 Y646 A682	Y572-G748 WeakPolarHBondContact CD2-O 3.25Å; Y646-G748 WeakPolarHBondContact OH-CA 3.45Å; Y646-G748 PolarHBondContact OH-N 2.81Å; Y646-G748 VanDerWaalsContact OH-N 3.17Å; A682-G748 PolarHBondContact O-N 3.21Å
749	C	88.5	Confident	91.1	Very high	7 Å²	7	19.7 Å²	19.7	5%	0.047	10%	0.099	C	C	.	.	S	Bend	trans	-134.2	169.2	179.6	78	0	0	0	0	113.1	T681 L746 D747	T681-C749 WeakPolarHBondContact CA-O 3.47Å; L746-C749 WeakPolarHBondContact CB-SG 3.42Å; L746-C749 PolarHBondContact O-SG 2.84Å; D747-C749 PolarHBondContact O-N 3.14Å; D747-C749 VanDerWaalsContact O-N 3.16Å
750	R	91.7	Very high	90.9	Very high	37 Å²	37	18.6 Å²	18.6	14%	0.14	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	108.9	173.8	-179.2	173.2	172.1	157.1	2.8	109.9	F679 C680 T681	F679-R750 HydrophobicContact CB-CG 4.28Å; F679-R750 HydrophobicContact CD1-CG 4.5Å; C680-R750 WeakPolarHBondContact O-CA 3.33Å; T681-R750 HydrophobicContact CG2-CB 3.39Å; T681-R750 HydrophobicContact CG2-CG 3.73Å
751	F	92.7	Very high	90.1	Very high	10 Å²	10	21.8 Å²	21.8	4%	0.044	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	157.7	178.9	69.4	-79.2	0	0	0	111.6	F679 C680 H727 C729 F743 P745 L746 L753	F679-F751 CarbonylContact C-O 3.54Å; F679-F751 WeakPolarHBondContact CA-O 3.32Å; F679-F751 WeakPolarHBondContact CB-O 3.41Å; C680-F751 HydrophobicContact CB-CE1 3.92Å; C680-F751 HydrophobicContact CB-CZ 3.9Å; C680-F751 PolarHBondContact N-O 3.17Å; C680-F751 PolarHBondContact O-N 3.02Å; C680-F751 VanDerWaalsContact O-N 3.15Å; H727-F751 HydrophobicContact CB-CD2 4.4Å; H727-F751 HydrophobicContact CB-CE2 4.44Å; H727-F751 AromaticContact CD2-CD2 3.88Å; H727-F751 AromaticContact CG-CD2 3.9Å; C729-F751 VanDerWaalsContact SG-CE2 3.56Å; F743-F751 HydrophobicContact CD2-CZ 4.31Å; F743-F751 HydrophobicContact CE2-CZ 4.13Å; P745-F751 HydrophobicContact CB-CE1 4.44Å; L746-F751 HydrophobicContact CB-CD1 3.74Å; L746-F751 HydrophobicContact CB-CE1 3.94Å; L746-F751 HydrophobicContact CB-CG 4.28Å; L746-F751 HydrophobicContact CD1-CB 4.15Å; L746-F751 HydrophobicContact CD1-CD1 4.35Å; L746-F751 HydrophobicContact CD1-CD2 4.37Å; L746-F751 HydrophobicContact CD1-CG 4.05Å; L746-F751 HydrophobicContact CG-CD1 4.11Å; L746-F751 HydrophobicContact CG-CD2 4.44Å; L746-F751 HydrophobicContact CG-CE1 4.28Å; L746-F751 HydrophobicContact CG-CG 4.2Å; F751-L753 HydrophobicContact CE2-CB 4.11Å; F751-L753 HydrophobicContact CE2-CD1 3.74Å; F751-L753 HydrophobicContact CZ-CD1 4.16Å
752	E	95	Very high	88.9	Confident	11 Å²	11	24.8 Å²	24.8	5%	0.051	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	117.1	171.3	-173.4	166.3	-167.4	0	0	108.3	M634 R677 F679 H727 R755	M634-E752 HydrophobicContact CB-CB 4.35Å; M634-E752 HydrophobicContact CE-CG 4.35Å; M634-E752 HydrophobicContact CG-CB 4.23Å; M634-E752 HydrophobicContact CG-CG 4.27Å; M634-E752 HydrophobicContact SD-CB 4.37Å; M634-E752 HydrophobicContact SD-CG 3.76Å; R677-E752 WeakPolarHBondContact CG-OE1 3.41Å; R677-E752 IonicContact CZ-OE1 3.85Å; R677-E752 IonicContact CZ-OE2 2.67Å; R677-E752 IonicContact NE-OE1 3.22Å; R677-E752 PolarHBondContact NE-OE1 3.26Å; R677-E752 IonicContact NE-OE2 3.98Å; R677-E752 PolarHBondContact NE-OE2 2.89Å; R677-E752 IonicContact NH2-OE1 3.7Å; R677-E752 IonicContact NH2-OE2 2.67Å; R677-E752 PolarHBondContact NH2-OE2 3.09Å; F679-E752 HydrophobicContact CD1-CB 3.92Å; F679-E752 HydrophobicContact CE1-CB 3.78Å; F679-E752 HydrophobicContact CE1-CG 4.22Å; F679-E752 HydrophobicContact CZ-CB 4.48Å; F679-E752 HydrophobicContact CZ-CG 4.45Å; H727-E752 WeakPolarHBondContact CB-O 3.26Å; H727-E752 PolarHBondContact CD2-O 3.06Å; E752-R755 WeakPolarHBondContact OE1-CD 3.36Å
753	L	95.1	Very high	87.8	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-42.4	-174.8	177	69.9	0	0	0	111.8	I678 C680 L692 H727 V730 F743 F751	I678-L753 WeakPolarHBondContact O-CB 3.48Å; I678-L753 PolarHBondContact O-N 3.13Å; C680-L753 HydrophobicContact CB-CB 4.37Å; C680-L753 HydrophobicContact CB-CD2 4.48Å; L692-L753 HydrophobicContact CD2-CD2 3.83Å; H727-L753 WeakPolarHBondContact CB-O 3.42Å; H727-L753 PolarHBondContact N-O 3.25Å; V730-L753 HydrophobicContact CG2-CD1 3.56Å; V730-L753 HydrophobicContact CG2-CG 4.26Å; F743-L753 HydrophobicContact CB-CD1 4.31Å; F743-L753 HydrophobicContact CD1-CD1 3.9Å; F743-L753 HydrophobicContact CD1-CD2 4.09Å; F743-L753 HydrophobicContact CD2-CD1 3.68Å; F743-L753 HydrophobicContact CE1-CD1 4.07Å; F743-L753 HydrophobicContact CE1-CD2 3.55Å; F743-L753 HydrophobicContact CE1-CG 4.47Å; F743-L753 HydrophobicContact CE2-CD1 3.86Å; F743-L753 HydrophobicContact CE2-CD2 4.26Å; F743-L753 HydrophobicContact CG-CD1 3.71Å; F743-L753 HydrophobicContact CZ-CD1 4.06Å; F743-L753 HydrophobicContact CZ-CD2 3.65Å; F751-L753 HydrophobicContact CE2-CB 4.11Å; F751-L753 HydrophobicContact CE2-CD1 3.74Å; F751-L753 HydrophobicContact CZ-CD1 4.16Å
754	L	95.6	Very high	86.9	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	140.5	-171.7	162.7	61.8	0	0	0	108.8	I678 L694 P724 E725 F726 L741 F756	I678-L754 HydrophobicContact CD1-CD2 4.39Å; I678-L754 PolarHBondContact N-O 2.86Å; I678-L754 PolarHBondContact O-N 3.21Å; L694-L754 HydrophobicContact CD1-CD2 3.86Å; P724-L754 HydrophobicContact CB-CD1 3.83Å; E725-L754 WeakPolarHBondContact O-CA 3.24Å; E725-L754 WeakPolarHBondContact O-CD1 3.02Å; F726-L754 HydrophobicContact CD1-CB 4.48Å; F726-L754 HydrophobicContact CD1-CD1 3.8Å; F726-L754 HydrophobicContact CE1-CD1 3.56Å; F726-L754 HydrophobicContact CE1-CD2 4.38Å; F726-L754 HydrophobicContact CE1-CG 4.44Å; F726-L754 HydrophobicContact CZ-CD1 4.2Å; L741-L754 HydrophobicContact CD1-CD2 3.6Å; L741-L754 HydrophobicContact CD2-CD2 4.15Å; L754-F756 HydrophobicContact CD1-CD1 4.05Å; L754-F756 HydrophobicContact CD2-CD1 3.99Å; L754-F756 HydrophobicContact CD2-CE1 4.11Å; L754-F756 HydrophobicContact CG-CD1 3.82Å; L754-F756 HydrophobicContact CG-CE1 4.28Å
755	R	95.6	Very high	86.4	Confident	5 Å²	5	38.3 Å²	38.3	2%	0.019	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	146.3	163.7	64.6	-168.6	179.3	-166.1	6.4	111.2	D631 M634 T676 R677 P724 E725 E752	D631-R755 IonicContact OD1-CZ 2.78Å; D631-R755 IonicContact OD1-NH1 3.57Å; D631-R755 PolarHBondContact OD1-NH1 2.93Å; D631-R755 IonicContact OD1-NH2 2.73Å; D631-R755 PolarHBondContact OD1-NH2 2.78Å; M634-R755 HydrophobicContact CE-CG 4.01Å; M634-R755 VanDerWaalsContact SD-CD 3.51Å; M634-R755 HydrophobicContact SD-CG 3.92Å; M634-R755 VanDerWaalsContact SD-CZ 3.54Å; M634-R755 PolarHBondContact SD-NE 3.06Å; M634-R755 VanDerWaalsContact SD-NE 3.4Å; T676-R755 CarbonylContact O-C 3.44Å; T676-R755 WeakPolarHBondContact O-CA 3.44Å; T676-R755 WeakPolarHBondContact O-CB 3.4Å; R677-R755 HydrophobicContact CG-CB 4.03Å; P724-R755 CarbonylContact C-O 3.58Å; P724-R755 WeakPolarHBondContact CA-O 3.33Å; E725-R755 HydrophobicContact CB-CG 3.85Å; E725-R755 VanDerWaalsContact CD-NE 3.26Å; E725-R755 PolarHBondContact N-O 2.82Å; E725-R755 PolarHBondContact O-N 3.03Å; E725-R755 IonicContact OE1-CZ 3.21Å; E725-R755 IonicContact OE1-NE 2.83Å; E725-R755 PolarHBondContact OE1-NE 2.93Å; E725-R755 IonicContact OE1-NH2 2.81Å; E725-R755 PolarHBondContact OE1-NH2 2.88Å; E725-R755 IonicContact OE2-CZ 3.83Å; E725-R755 IonicContact OE2-NE 3.19Å; E725-R755 PolarHBondContact OE2-NE 2.84Å; E725-R755 IonicContact OE2-NH2 2.79Å; E725-R755 PolarHBondContact OE2-NH2 2.83Å; E752-R755 WeakPolarHBondContact OE1-CD 3.36Å
756	F	95.2	Very high	86.3	Confident	3 Å²	3	38.2 Å²	38.2	1%	0.013	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	174.7	-177.8	57.9	-91.1	0	0	0	111.4	R675 T676 I678 L694 I719 I721 P724 L754 V758 A933	R675-F756 WeakPolarHBondContact CA-O 3.09Å; T676-F756 HydrophobicContact CG2-CE1 3.81Å; T676-F756 HydrophobicContact CG2-CE2 4Å; T676-F756 HydrophobicContact CG2-CZ 3.46Å; T676-F756 VanDerWaalsContact CG2-CZ 3.46Å; T676-F756 PolarHBondContact N-O 3.23Å; T676-F756 PolarHBondContact O-N 2.81Å; I678-F756 HydrophobicContact CD1-CE1 4.04Å; I678-F756 HydrophobicContact CG1-CE1 4.39Å; L694-F756 HydrophobicContact CD1-CE1 4.35Å; I719-F756 HydrophobicContact CD1-CE2 3.59Å; I719-F756 HydrophobicContact CD1-CZ 3.85Å; I721-F756 HydrophobicContact CG1-CD2 4.24Å; I721-F756 HydrophobicContact CG1-CE2 4.25Å; I721-F756 HydrophobicContact CG2-CB 3.75Å; I721-F756 HydrophobicContact CG2-CD1 4.4Å; I721-F756 HydrophobicContact CG2-CD2 4.11Å; I721-F756 HydrophobicContact CG2-CG 3.85Å; P724-F756 HydrophobicContact CB-CB 4.29Å; L754-F756 HydrophobicContact CD1-CD1 4.05Å; L754-F756 HydrophobicContact CD2-CD1 3.99Å; L754-F756 HydrophobicContact CD2-CE1 4.11Å; L754-F756 HydrophobicContact CG-CD1 3.82Å; L754-F756 HydrophobicContact CG-CE1 4.28Å; F756-V758 HydrophobicContact CD2-CG2 3.78Å; F756-V758 HydrophobicContact CE2-CG2 3.62Å; F756-A933 HydrophobicContact CE2-CB 4.36Å; F756-A933 HydrophobicContact CZ-CB 3.93Å
757	R	93.1	Very high	86.2	Confident	18 Å²	18	37.6 Å²	37.6	7%	0.068	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	157.4	172.3	-65.4	-161.8	59.4	-178.9	-14.3	111.2	E464 L465 I467 A674 Q722	E464-R757 PolarHBondContact O-NH1 2.84Å; E464-R757 PolarHBondContact O-NH2 2.92Å; L465-R757 HydrophobicContact CD2-CB 3.94Å; I467-R757 PolarHBondContact O-NH1 3.39Å; A674-R757 PolarHBondContact O-NE 2.87Å; Q722-R757 WeakPolarHBondContact CB-O 3.2Å; Q722-R757 PolarHBondContact N-O 2.89Å; Q722-R757 PolarHBondContact O-N 2.8Å
758	V	89.9	Confident	86.5	Confident	13 Å²	13	35.8 Å²	35.8	8%	0.079	18%	0.18	C	C	.	.			trans	-138	148.3	172.8	-173.5	0	0	0	0	107.5	I719 F756	I719-V758 HydrophobicContact CB-CG1 4.36Å; I719-V758 HydrophobicContact CB-CG2 4.45Å; I719-V758 HydrophobicContact CD1-CG2 4.2Å; F756-V758 HydrophobicContact CD2-CG2 3.78Å; F756-V758 HydrophobicContact CE2-CG2 3.62Å
759	S	87.6	Confident	87	Confident	26 Å²	26	39 Å²	39	18%	0.182	19%	0.191	C	C	.	.			trans	-70.3	140.3	174	-178.2	0	0	0	0	110.9	D462 R761	D462-S759 VanDerWaalsContact OD2-CB 3.28Å; D462-S759 WeakPolarHBondContact OD2-CB 3.32Å; D462-S759 PolarHBondContact OD2-OG 3Å; S759-R761 WeakPolarHBondContact OG-CD 3.4Å; S759-R761 WeakPolarHBondContact OG-CG 3.33Å
760	L	85.6	Confident	87.2	Confident	6 Å²	6	39.3 Å²	39.3	3%	0.031	19%	0.192	C	C	.	.			trans	-106.2	15.1	-175.4	-61.2	-174.4	0	0	0	114.2	Y659 Q672 A674 G762 N763 V930	Y659-L760 HydrophobicContact CD2-CD1 3.9Å; Y659-L760 HydrophobicContact CE2-CD1 3.84Å; Q672-L760 HydrophobicContact CB-CD1 4.23Å; Q672-L760 HydrophobicContact CG-CB 4.22Å; Q672-L760 HydrophobicContact CG-CD1 4.15Å; Q672-L760 PolarHBondContact NE2-O 2.91Å; A674-L760 HydrophobicContact CB-CD1 3.75Å; A674-L760 HydrophobicContact CB-CD2 3.93Å; A674-L760 HydrophobicContact CB-CG 4.2Å; L760-G762 PolarHBondContact O-N 2.84Å; L760-N763 WeakPolarHBondContact O-CB 3.24Å; L760-N763 PolarHBondContact O-N 2.87Å; L760-V930 HydrophobicContact CD1-CG1 4.29Å; L760-V930 HydrophobicContact CD2-CG1 3.74Å
761	R	71.7	Confident	87.4	Confident	114 Å²	114	42 Å²	42	43%	0.43	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-21.3	-169.8	-72.4	168.4	174.7	-176.5	-4.2	116.4	T460 P461 D462 S759	T460-R761 PolarHBondContact O-NH1 2.9Å; T460-R761 PolarHBondContact O-NH2 2.72Å; P461-R761 PolarHBondContact O-NH2 3.33Å; D462-R761 VanDerWaalsContact CB-NH2 3.32Å; D462-R761 VanDerWaalsContact CG-NE 3.3Å; D462-R761 VanDerWaalsContact CG-NH2 3.32Å; D462-R761 IonicContact OD1-CZ 2.92Å; D462-R761 IonicContact OD1-NE 2.72Å; D462-R761 PolarHBondContact OD1-NE 3.44Å; D462-R761 IonicContact OD1-NH2 2.75Å; D462-R761 PolarHBondContact OD1-NH2 3.23Å; D462-R761 IonicContact OD2-NE 2.76Å; S759-R761 WeakPolarHBondContact OG-CD 3.4Å; S759-R761 WeakPolarHBondContact OG-CG 3.33Å
762	G	68.9	Low	87.5	Confident	67 Å²	67	41.5 Å²	41.5	69%	0.691	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-24	172.8	0	0	0	0	0	114.1	L760 R764	L760-G762 PolarHBondContact O-N 2.84Å; G762-R764 PolarHBondContact O-N 2.96Å; G762-R764 VanDerWaalsContact O-N 3.12Å
763	N	72.1	Confident	87.5	Confident	63 Å²	63	41.9 Å²	41.9	34%	0.337	21%	0.206	S	C	.	.			trans	-85.4	91.9	-171.2	-62.9	-8.4	0	0	0	110.1	Q672 L760 V930	Q672-N763 PolarHBondContact NE2-O 3.17Å; L760-N763 WeakPolarHBondContact O-CB 3.24Å; L760-N763 PolarHBondContact O-N 2.87Å; N763-V930 PolarHBondContact ND2-O 3.49Å
764	R	73.9	Confident	87.4	Confident	215 Å²	215	41.9 Å²	41.9	81%	0.811	21%	0.206	S	C	*	.			trans	-92.6	-18.9	-179.8	-64.3	-176.4	179.1	-176.8	-0.1	114.4	G762	G762-R764 PolarHBondContact O-N 2.96Å; G762-R764 VanDerWaalsContact O-N 3.12Å
765	E	80.3	Confident	87.2	Confident	120 Å²	120	44.2 Å²	44.2	56%	0.561	22%	0.22	S	C	*	.	S	Bend	trans	-133.6	148.7	-177.1	-65.4	-172.7	-162.3	0	0	111.1	F793	E765-F793 HydrophobicContact CB-CE1 4.33Å; E765-F793 HydrophobicContact CB-CZ 4.22Å
766	L	87.8	Confident	86.8	Confident	14 Å²	14	44.5 Å²	44.5	7%	0.073	22%	0.222	C	C	.	.			trans	-95.6	152.4	176.7	-72.1	-169.7	0	0	0	112.7	Y659 L663 I669 M768 F793 Y956 Y958	Y659-L766 HydrophobicContact CE1-CD1 4.39Å; Y659-L766 HydrophobicContact CE1-CD2 3.87Å; Y659-L766 HydrophobicContact CE2-CD2 4.42Å; L663-L766 HydrophobicContact CD1-CD1 3.76Å; L663-L766 HydrophobicContact CD2-CD1 3.85Å; L663-L766 HydrophobicContact CG-CD1 4.47Å; I669-L766 HydrophobicContact CD1-CD2 4.28Å; I669-L766 HydrophobicContact CD1-CG 4.27Å; L766-M768 PolarHBondContact O-N 3.12Å; L766-F793 VanDerWaalsContact O-CZ 3.23Å; L766-F793 WeakPolarHBondContact O-CZ 3.01Å; L766-Y956 HydrophobicContact CD2-CD1 4.43Å; L766-Y956 HydrophobicContact CD2-CE1 4.28Å; L766-Y958 HydrophobicContact CD1-CD1 3.84Å; L766-Y958 HydrophobicContact CD1-CD2 4.06Å; L766-Y958 HydrophobicContact CD1-CE1 3.65Å; L766-Y958 HydrophobicContact CD1-CE2 3.85Å; L766-Y958 HydrophobicContact CD1-CG 4.04Å
767	P	86	Confident	86.4	Confident	3 Å²	3	49 Å²	49	2%	0.019	25%	0.246	C	C	.	.	S	Bend	trans	-57.4	-25.1	179	-22.6	27.3	0	0	0	116.7	P790 F793 Y923 M925 Y956	P767-P790 WeakPolarHBondContact O-CD 3.47Å; P767-F793 VanDerWaalsContact CA-CD2 3.44Å; P767-F793 VanDerWaalsContact CA-CG 3.46Å; P767-F793 HydrophobicContact CB-CB 3.81Å; P767-F793 HydrophobicContact CB-CD1 4.13Å; P767-F793 HydrophobicContact CB-CD2 4.05Å; P767-F793 HydrophobicContact CB-CG 3.73Å; P767-F793 HydrophobicContact CG-CB 3.96Å; P767-F793 HydrophobicContact CG-CD1 3.91Å; P767-F793 HydrophobicContact CG-CG 3.94Å; P767-Y923 HydrophobicContact CB-CE2 4.42Å; P767-Y923 WeakPolarHBondContact CD-OH 3.27Å; P767-M925 HydrophobicContact CB-CE 4.39Å; P767-M925 HydrophobicContact CB-SD 3.98Å; P767-M925 HydrophobicContact CG-SD 3.87Å; P767-Y956 HydrophobicContact CG-CE1 3.94Å; P767-Y956 HydrophobicContact CG-CE2 3.95Å; P767-Y956 VanDerWaalsContact CG-CZ 3.44Å; P767-Y956 WeakPolarHBondContact CG-OH 3.26Å
768	M	89.7	Confident	85.8	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	27%	0.269	C	S	.	.	S	Bend	trans	-130.5	112.3	-178.2	-172.9	175.8	78.5	0	0	108.4	L766 V770 L787 V789 V807 I809 I921 Y923 Y958	L766-M768 PolarHBondContact O-N 3.12Å; M768-V770 HydrophobicContact CE-CG2 3.72Å; M768-V770 HydrophobicContact CG-CG2 4.18Å; M768-L787 HydrophobicContact CE-CD1 4.45Å; M768-L787 HydrophobicContact CG-CD1 4.45Å; M768-L787 HydrophobicContact CG-CD2 4.25Å; M768-L787 HydrophobicContact CG-CG 4.02Å; M768-L787 HydrophobicContact SD-CD1 3.74Å; M768-L787 HydrophobicContact SD-CD2 4.25Å; M768-L787 HydrophobicContact SD-CG 3.96Å; M768-V789 HydrophobicContact CB-CG2 4.29Å; M768-V789 HydrophobicContact CG-CG2 3.98Å; M768-V807 HydrophobicContact CE-CG1 3.81Å; M768-V807 HydrophobicContact SD-CG1 3.87Å; M768-V807 HydrophobicContact SD-CG2 4.34Å; M768-I809 HydrophobicContact CE-CD1 4.2Å; M768-I921 HydrophobicContact CE-CG2 3.41Å; M768-I921 VanDerWaalsContact CE-CG2 3.41Å; M768-Y923 HydrophobicContact CB-CE1 3.85Å; M768-Y923 HydrophobicContact CE-CD1 3.55Å; M768-Y923 HydrophobicContact CE-CE1 3.64Å; M768-Y923 HydrophobicContact SD-CD1 4.23Å; M768-Y923 HydrophobicContact SD-CE1 4.3Å; M768-Y958 PolarHBondContact O-OH 3.29Å; M768-Y958 VanDerWaalsContact O-OH 3.06Å
769	Q	90.6	Very high	85.5	Confident	84 Å²	84	57 Å²	57	39%	0.393	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	129	171.6	-64.8	174.1	-4.9	0	0	107.7	L787 L788 P790	Q769-L787 WeakPolarHBondContact O-CA 3.02Å; Q769-L788 HydrophobicContact CB-CB 4.4Å; Q769-L788 PolarHBondContact N-O 3.32Å; Q769-L788 PolarHBondContact O-N 3.26Å; Q769-P790 HydrophobicContact CG-CG 4.44Å
770	V	93.8	Very high	85.5	Confident	13 Å²	13	63.2 Å²	63.2	8%	0.079	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	151.7	174.9	179.2	0	0	0	0	107.2	M768 V772 D786 I809 I921 M960	M768-V770 HydrophobicContact CE-CG2 3.72Å; M768-V770 HydrophobicContact CG-CG2 4.18Å; V770-V772 HydrophobicContact CG1-CG2 4.25Å; V770-D786 CarbonylContact C-O 3.5Å; V770-D786 WeakPolarHBondContact CA-O 3.23Å; V770-I809 HydrophobicContact CG1-CD1 4.38Å; V770-I809 HydrophobicContact CG2-CD1 4.06Å; V770-I921 HydrophobicContact CB-CD1 3.83Å; V770-I921 HydrophobicContact CG1-CD1 3.89Å; V770-I921 HydrophobicContact CG2-CD1 3.93Å; V770-M960 HydrophobicContact CB-SD 4.22Å; V770-M960 HydrophobicContact CG1-SD 4.38Å; V770-M960 WeakPolarHBondContact O-CE 3.19Å
771	K	94.9	Very high	85.7	Confident	92 Å²	92	63.1 Å²	63.1	40%	0.4	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	131.5	165.3	-175.9	174.4	179.7	175.5	0	109.9	C785 D786 M960	K771-C785 CarbonylContact O-C 3.58Å; K771-C785 VanDerWaalsContact O-CA 3.29Å; K771-C785 WeakPolarHBondContact O-CA 3.32Å; K771-D786 PolarHBondContact N-O 3.29Å; K771-D786 PolarHBondContact O-N 2.81Å; K771-M960 HydrophobicContact CB-CE 4.43Å
772	V	95.9	Very high	86.6	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.006	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	127.7	176.8	-173	0	0	0	0	109.8	V770 Y774 R784 C785 I811 C919 I962 D963	V770-V772 HydrophobicContact CG1-CG2 4.25Å; V772-Y774 HydrophobicContact CG1-CD2 4.24Å; V772-Y774 HydrophobicContact CG1-CE2 4Å; V772-R784 CarbonylContact C-O 3.54Å; V772-R784 WeakPolarHBondContact CA-O 3.16Å; V772-C785 HydrophobicContact CG2-CB 4.26Å; V772-I811 HydrophobicContact CG1-CG2 3.87Å; V772-C919 HydrophobicContact CG2-CB 4.42Å; V772-I962 HydrophobicContact CB-CG1 4.31Å; V772-I962 HydrophobicContact CB-CG2 4.49Å; V772-I962 HydrophobicContact CG1-CG1 4.27Å; V772-I962 HydrophobicContact CG1-CG2 4.07Å; V772-D963 WeakPolarHBondContact O-CB 3.28Å; V772-D963 PolarHBondContact O-N 2.77Å
773	T	94.7	Very high	87.8	Confident	18 Å²	18	56.3 Å²	56.3	11%	0.11	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	131.2	176.5	-56.6	0	0	0	0	110.3	T775 R784 D963 Q965	T773-T775 HydrophobicContact CG2-CG2 4.25Å; T773-R784 PolarHBondContact N-O 2.86Å; T773-R784 PolarHBondContact O-N 3.06Å; T773-D963 CarbonylContact C-O 3.54Å; T773-D963 VanDerWaalsContact CA-O 3.31Å; T773-D963 WeakPolarHBondContact CA-O 3.33Å; T773-D963 HydrophobicContact CG2-CB 4.09Å; T773-D963 PolarHBondContact OG1-OD2 2.98Å; T773-Q965 HydrophobicContact CG2-CG 4.16Å
774	Y	92.8	Very high	88.8	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.008	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127.8	168.5	-83.7	-107.9	0	0	0	109.1	V772 V781 M783 I811 P812 F813 I962 D963 Y964 Q965	V772-Y774 HydrophobicContact CG1-CD2 4.24Å; V772-Y774 HydrophobicContact CG1-CE2 4Å; Y774-V781 HydrophobicContact CD1-CG1 4.43Å; Y774-M783 HydrophobicContact CD1-CB 4.25Å; Y774-M783 HydrophobicContact CD2-CG 4.17Å; Y774-M783 HydrophobicContact CE1-CB 4.01Å; Y774-M783 HydrophobicContact CE1-CG 4.06Å; Y774-M783 HydrophobicContact CE2-CB 4.39Å; Y774-M783 HydrophobicContact CE2-CG 3.66Å; Y774-M783 HydrophobicContact CE2-SD 4.36Å; Y774-I811 HydrophobicContact CE2-CG2 3.82Å; Y774-I811 WeakPolarHBondContact OH-CG2 3.48Å; Y774-P812 PolarHBondContact OH-O 2.91Å; Y774-F813 HydrophobicContact CE1-CD2 4.44Å; Y774-F813 HydrophobicContact CE1-CE2 4.08Å; Y774-F813 WeakPolarHBondContact OH-CD2 3.36Å; Y774-I962 HydrophobicContact CD2-CG2 3.49Å; Y774-I962 VanDerWaalsContact CD2-CG2 3.49Å; Y774-I962 HydrophobicContact CE2-CG2 3.97Å; Y774-D963 PolarHBondContact N-O 3.48Å; Y774-Y964 HydrophobicContact CD1-CE1 4.03Å; Y774-Y964 HydrophobicContact CD2-CD1 4.43Å; Y774-Y964 AromaticContact CD2-CE1 3.89Å; Y774-Y964 HydrophobicContact CD2-CE1 3.89Å; Y774-Y964 HydrophobicContact CE2-CE1 4.49Å; Y774-Y964 AromaticContact CG-CD1 3.98Å; Y774-Y964 HydrophobicContact CG-CD1 3.98Å; Y774-Y964 AromaticContact CG-CE1 3.63Å; Y774-Y964 HydrophobicContact CG-CE1 3.63Å; Y774-Q965 PolarHBondContact O-N 3.47Å
775	T	91.8	Very high	89.9	Confident	50 Å²	50	48.4 Å²	48.4	31%	0.307	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	114.7	172.5	48	0	0	0	0	108.4	T773 V781 S782 Q965	T773-T775 HydrophobicContact CG2-CG2 4.25Å; T775-V781 WeakPolarHBondContact O-CA 3.35Å; T775-S782 PolarHBondContact N-O 3.34Å; T775-S782 PolarHBondContact O-N 2.67Å; T775-S782 WeakPolarHBondContact OG1-CB 3.31Å; T775-S782 PolarHBondContact OG1-O 3.07Å; T775-S782 PolarHBondContact OG1-OG 2.97Å; T775-Q965 WeakPolarHBondContact CA-O 3.45Å; T775-Q965 HydrophobicContact CG2-CB 4.18Å
776	I	87.8	Confident	90.5	Very high	12 Å²	12	44.7 Å²	44.7	6%	0.062	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	105.5	-179	-58.8	173.7	0	0	0	107.7	R780 V781 W817 V909 Q965 L966 G967	I776-R780 CarbonylContact C-O 3.4Å; I776-V781 HydrophobicContact CG1-CG1 4.33Å; I776-V781 HydrophobicContact CG1-CG2 4.31Å; I776-V781 HydrophobicContact CG2-CG2 4.32Å; I776-W817 HydrophobicContact CD1-CH2 4.12Å; I776-V909 HydrophobicContact CD1-CG1 4.41Å; I776-V909 HydrophobicContact CG2-CG1 4.15Å; I776-V909 HydrophobicContact CG2-CG2 4.28Å; I776-Q965 PolarHBondContact N-O 2.83Å; I776-L966 HydrophobicContact CB-CD1 3.85Å; I776-L966 HydrophobicContact CG2-CD1 3.72Å; I776-L966 WeakPolarHBondContact O-CD1 3.47Å; I776-G967 PolarHBondContact O-N 3.34Å
777	D	85.5	Confident	90.8	Very high	98 Å²	98	44.1 Å²	44.1	52%	0.524	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	91.2	177.8	-176.3	29.8	0	0	0	110.7	R779 R780	D777-R779 PolarHBondContact O-N 3.01Å; D777-R780 PolarHBondContact N-O 2.8Å; D777-R780 PolarHBondContact O-N 2.77Å
778	G	80.6	Confident	91	Very high	52 Å²	52	46.2 Å²	46.2	54%	0.536	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	-92.9	-178.1	0	0	0	0	0	112.9
779	R	83.3	Confident	90.9	Very high	145 Å²	145	46.7 Å²	46.7	55%	0.547	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-2.6	176.4	-67.3	-174.3	-175.5	156.5	1.7	113.6	D777 V902 L903	D777-R779 PolarHBondContact O-N 3.01Å; R779-V902 CarbonylContact O-C 3.58Å; R779-V902 WeakPolarHBondContact O-CA 3.37Å; R779-L903 HydrophobicContact CB-CB 4.28Å; R779-L903 WeakPolarHBondContact O-CB 3.38Å; R779-L903 PolarHBondContact O-N 2.99Å
780	R	87.1	Confident	90.1	Very high	158 Å²	158	43.5 Å²	43.5	60%	0.596	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	122.6	178.3	-65.5	-175.4	178.2	-80.1	0.5	108.7	I776 D777	I776-R780 CarbonylContact C-O 3.4Å; D777-R780 PolarHBondContact N-O 2.8Å; D777-R780 PolarHBondContact O-N 2.77Å
781	V	89.7	Confident	88.4	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.018	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	120.1	173.2	178.8	0	0	0	0	107.6	Y774 T775 I776 W817 L901 L903	Y774-V781 HydrophobicContact CD1-CG1 4.43Å; T775-V781 WeakPolarHBondContact O-CA 3.35Å; I776-V781 HydrophobicContact CG1-CG1 4.33Å; I776-V781 HydrophobicContact CG1-CG2 4.31Å; I776-V781 HydrophobicContact CG2-CG2 4.32Å; V781-W817 HydrophobicContact CG1-CE3 4.46Å; V781-W817 HydrophobicContact CG1-CH2 4.11Å; V781-W817 HydrophobicContact CG1-CZ3 3.78Å; V781-W817 HydrophobicContact CG2-CH2 3.75Å; V781-W817 HydrophobicContact CG2-CZ2 4.03Å; V781-W817 HydrophobicContact CG2-CZ3 4.13Å; V781-L901 HydrophobicContact CB-CB 4.29Å; V781-L901 PolarHBondContact N-O 2.83Å; V781-L901 PolarHBondContact O-N 2.81Å; V781-L903 HydrophobicContact CG2-CD1 3.73Å; V781-L903 HydrophobicContact CG2-CD2 4.34Å; V781-L903 HydrophobicContact CG2-CG 3.94Å
782	S	91.4	Very high	86.5	Confident	38 Å²	38	46.9 Å²	46.9	27%	0.266	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	109.1	177.5	148.4	0	0	0	0	108.5	T775 C899	T775-S782 PolarHBondContact N-O 3.34Å; T775-S782 PolarHBondContact O-N 2.67Å; T775-S782 WeakPolarHBondContact OG1-CB 3.31Å; T775-S782 PolarHBondContact OG1-O 3.07Å; T775-S782 PolarHBondContact OG1-OG 2.97Å; S782-C899 WeakPolarHBondContact CA-O 3.02Å
783	M	93.4	Very high	84.5	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	130.1	172.1	177.2	-154.6	83.1	0	0	108.7	Y774 I811 F813 I877 L897 T898 C899	Y774-M783 HydrophobicContact CD1-CB 4.25Å; Y774-M783 HydrophobicContact CD2-CG 4.17Å; Y774-M783 HydrophobicContact CE1-CB 4.01Å; Y774-M783 HydrophobicContact CE1-CG 4.06Å; Y774-M783 HydrophobicContact CE2-CB 4.39Å; Y774-M783 HydrophobicContact CE2-CG 3.66Å; Y774-M783 HydrophobicContact CE2-SD 4.36Å; M783-I811 HydrophobicContact CE-CD1 3.97Å; M783-I811 HydrophobicContact SD-CB 4.28Å; M783-I811 HydrophobicContact SD-CD1 3.96Å; M783-I811 HydrophobicContact SD-CG2 3.83Å; M783-F813 HydrophobicContact SD-CE2 4.36Å; M783-I877 HydrophobicContact CE-CD1 4.24Å; M783-I877 HydrophobicContact SD-CD1 3.99Å; M783-L897 HydrophobicContact CE-CD2 3.94Å; M783-L897 HydrophobicContact CE-CG 3.96Å; M783-T898 CarbonylContact O-C 3.58Å; M783-T898 VanDerWaalsContact O-CA 3.26Å; M783-T898 WeakPolarHBondContact O-CA 3.39Å; M783-C899 HydrophobicContact CB-CB 4.16Å; M783-C899 HydrophobicContact CE-CB 3.68Å; M783-C899 PolarHBondContact N-O 3.03Å; M783-C899 PolarHBondContact O-N 3.02Å; M783-C899 HydrophobicContact SD-CB 4.32Å
784	R	94.4	Very high	82.3	Confident	112 Å²	112	50 Å²	50	42%	0.423	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	129.7	176.5	-174.8	-178.4	169.4	127.5	6.6	109.5	V772 T773 D786 L896 T898	V772-R784 CarbonylContact C-O 3.54Å; V772-R784 WeakPolarHBondContact CA-O 3.16Å; T773-R784 PolarHBondContact N-O 2.86Å; T773-R784 PolarHBondContact O-N 3.06Å; R784-D786 IonicContact CZ-OD1 3.46Å; R784-D786 IonicContact CZ-OD2 3.46Å; R784-D786 IonicContact NE-OD1 3.28Å; R784-D786 PolarHBondContact NE-OD1 3.07Å; R784-D786 IonicContact NE-OD2 2.71Å; R784-D786 PolarHBondContact NE-OD2 3.07Å; R784-D786 IonicContact NH2-OD1 2.72Å; R784-D786 PolarHBondContact NH2-OD1 3.22Å; R784-D786 IonicContact NH2-OD2 3.34Å; R784-D786 PolarHBondContact NH2-OD2 3.21Å; R784-L896 HydrophobicContact CG-CD1 3.59Å; R784-T898 HydrophobicContact CG-CG2 4.43Å
785	C	95.6	Very high	80	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	112	171.6	176.9	0	0	0	0	109.4	K771 V772 I811 L896 L897	K771-C785 CarbonylContact O-C 3.58Å; K771-C785 VanDerWaalsContact O-CA 3.29Å; K771-C785 WeakPolarHBondContact O-CA 3.32Å; V772-C785 HydrophobicContact CG2-CB 4.26Å; C785-I811 HydrophobicContact CB-CD1 3.64Å; C785-L896 WeakPolarHBondContact O-CA 3.32Å; C785-L896 WeakPolarHBondContact O-CD1 3.23Å; C785-L897 HydrophobicContact CB-CB 4.17Å; C785-L897 HydrophobicContact CB-CD2 4.42Å; C785-L897 PolarHBondContact N-O 2.83Å; C785-L897 PolarHBondContact O-N 3.04Å
786	D	94.7	Very high	77.8	Confident	41 Å²	41	51.4 Å²	51.4	22%	0.219	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	142.5	172.4	-67.3	-72.3	0	0	0	110	V770 K771 R784 H895 L896	V770-D786 CarbonylContact C-O 3.5Å; V770-D786 WeakPolarHBondContact CA-O 3.23Å; K771-D786 PolarHBondContact N-O 3.29Å; K771-D786 PolarHBondContact O-N 2.81Å; R784-D786 IonicContact CZ-OD1 3.46Å; R784-D786 IonicContact CZ-OD2 3.46Å; R784-D786 IonicContact NE-OD1 3.28Å; R784-D786 PolarHBondContact NE-OD1 3.07Å; R784-D786 IonicContact NE-OD2 2.71Å; R784-D786 PolarHBondContact NE-OD2 3.07Å; R784-D786 IonicContact NH2-OD1 2.72Å; R784-D786 PolarHBondContact NH2-OD1 3.22Å; R784-D786 IonicContact NH2-OD2 3.34Å; R784-D786 PolarHBondContact NH2-OD2 3.21Å; D786-H895 CarbonylContact C-O 3.59Å; D786-H895 WeakPolarHBondContact CA-O 3.29Å; D786-L896 WeakPolarHBondContact OD1-CD1 3.42Å
787	L	93.4	Very high	76	Confident	2 Å²	2	61.2 Å²	61.2	1%	0.01	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	129.7	177.3	179.9	163.1	0	0	0	109.3	M768 Q769 V789 I809 W879 I881 V884 H895	M768-L787 HydrophobicContact CE-CD1 4.45Å; M768-L787 HydrophobicContact CG-CD1 4.45Å; M768-L787 HydrophobicContact CG-CD2 4.25Å; M768-L787 HydrophobicContact CG-CG 4.02Å; M768-L787 HydrophobicContact SD-CD1 3.74Å; M768-L787 HydrophobicContact SD-CD2 4.25Å; M768-L787 HydrophobicContact SD-CG 3.96Å; Q769-L787 WeakPolarHBondContact O-CA 3.02Å; L787-V789 HydrophobicContact CD2-CG2 4.2Å; L787-I809 HydrophobicContact CD1-CD1 3.75Å; L787-W879 HydrophobicContact CB-CH2 3.9Å; L787-W879 HydrophobicContact CB-CZ3 3.9Å; L787-W879 HydrophobicContact CD1-CH2 4.07Å; L787-W879 HydrophobicContact CD1-CZ3 3.94Å; L787-I881 HydrophobicContact CD1-CD1 3.58Å; L787-V884 HydrophobicContact CD2-CG1 4.13Å; L787-H895 HydrophobicContact CB-CB 4.28Å; L787-H895 HydrophobicContact CD2-CB 4.28Å; L787-H895 PolarHBondContact N-O 3.27Å; L787-H895 PolarHBondContact O-N 2.72Å
788	L	89.9	Confident	74.4	Confident	48 Å²	48	63.3 Å²	63.3	25%	0.251	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	132.1	177.1	-177.5	65.1	0	0	0	110	Q769 F892 P894	Q769-L788 HydrophobicContact CB-CB 4.4Å; Q769-L788 PolarHBondContact N-O 3.32Å; Q769-L788 PolarHBondContact O-N 3.26Å; L788-F892 WeakPolarHBondContact CD1-O 3.32Å; L788-P894 HydrophobicContact CD1-CB 4.49Å
789	V	86.6	Confident	72.7	Confident	10 Å²	10	66.9 Å²	66.9	6%	0.061	32%	0.319	C	S	.	.			trans	-109.8	107.5	168.4	176.3	0	0	0	0	107.4	M768 L787 G791 V884 F892	M768-V789 HydrophobicContact CB-CG2 4.29Å; M768-V789 HydrophobicContact CG-CG2 3.98Å; L787-V789 HydrophobicContact CD2-CG2 4.2Å; V789-G791 PolarHBondContact O-N 3.07Å; V789-V884 HydrophobicContact CB-CG1 4.28Å; V789-V884 HydrophobicContact CG2-CB 4.24Å; V789-V884 HydrophobicContact CG2-CG1 3.69Å; V789-F892 PolarHBondContact O-N 3.36Å
790	P	75.4	Confident	71.5	Confident	18 Å²	18	62.3 Å²	62.3	12%	0.117	32%	0.318	C	S	.	.			trans	-68.8	6	-177.7	-19.3	32.6	0	0	0	114.9	P767 Q769 Y792 F793 F892	P767-P790 WeakPolarHBondContact O-CD 3.47Å; Q769-P790 HydrophobicContact CG-CG 4.44Å; P790-Y792 VanDerWaalsContact O-CD2 3.3Å; P790-Y792 WeakPolarHBondContact O-CD2 3.38Å; P790-Y792 PolarHBondContact O-N 2.98Å; P790-F793 HydrophobicContact CB-CE2 4.17Å; P790-F793 HydrophobicContact CG-CE2 4.06Å; P790-F892 HydrophobicContact CB-CD1 4.21Å; P790-F892 HydrophobicContact CB-CE1 3.85Å; P790-F892 WeakPolarHBondContact O-CE1 3.3Å; P790-F892 WeakPolarHBondContact O-CZ 3.21Å
791	G	58.1	Low	70.5	Confident	4 Å²	4	56.9 Å²	56.9	4%	0.041	31%	0.306	C	S	.	.	S	Bend	trans	77.5	-14	169.9	0	0	0	0	0	116.9	V789 A801	V789-G791 PolarHBondContact O-N 3.07Å; G791-A801 WeakPolarHBondContact O-CA 3.47Å; G791-A801 VanDerWaalsContact O-CB 3.23Å; G791-A801 WeakPolarHBondContact O-CB 3.27Å
792	Y	53.6	Low	70	Confident	171 Å²	171	57.7 Å²	57.7	67%	0.671	31%	0.311	S	S	*	.			trans	-125.9	74.6	-172.1	-65	-76.5	0	0	0	113.6	P790 F892	P790-Y792 VanDerWaalsContact O-CD2 3.3Å; P790-Y792 WeakPolarHBondContact O-CD2 3.38Å; P790-Y792 PolarHBondContact O-N 2.98Å; Y792-F892 HydrophobicContact CD2-CE2 4.35Å; Y792-F892 AromaticContact CD2-CZ 3.91Å; Y792-F892 HydrophobicContact CD2-CZ 3.91Å; Y792-F892 AromaticContact CE2-CE2 3.86Å; Y792-F892 HydrophobicContact CE2-CE2 3.86Å; Y792-F892 AromaticContact CE2-CZ 3.82Å; Y792-F892 HydrophobicContact CE2-CZ 3.82Å
793	F	54.2	Low	69.7	Low	54 Å²	54	56.6 Å²	56.6	24%	0.237	30%	0.303	C	S	.	.			trans	-130	62.2	171.8	-72.8	-95.6	0	0	0	110.7	E765 L766 P767 P790 M925	E765-F793 HydrophobicContact CB-CE1 4.33Å; E765-F793 HydrophobicContact CB-CZ 4.22Å; L766-F793 VanDerWaalsContact O-CZ 3.23Å; L766-F793 WeakPolarHBondContact O-CZ 3.01Å; P767-F793 VanDerWaalsContact CA-CD2 3.44Å; P767-F793 VanDerWaalsContact CA-CG 3.46Å; P767-F793 HydrophobicContact CB-CB 3.81Å; P767-F793 HydrophobicContact CB-CD1 4.13Å; P767-F793 HydrophobicContact CB-CD2 4.05Å; P767-F793 HydrophobicContact CB-CG 3.73Å; P767-F793 HydrophobicContact CG-CB 3.96Å; P767-F793 HydrophobicContact CG-CD1 3.91Å; P767-F793 HydrophobicContact CG-CG 3.94Å; P790-F793 HydrophobicContact CB-CE2 4.17Å; P790-F793 HydrophobicContact CG-CE2 4.06Å; F793-M925 HydrophobicContact CB-CE 3.8Å; F793-M925 WeakPolarHBondContact O-CE 3.26Å
794	S	48.3	Very low	69.5	Low	32 Å²	32	56.5 Å²	56.5	22%	0.224	30%	0.303	C	S	.	.			trans	-127.3	122.3	158.3	-169.7	0	0	0	0	106.9	S796	S794-S796 PolarHBondContact O-N 3.07Å; S794-S796 PolarHBondContact OG-N 3.38Å; S794-S796 PolarHBondContact OG-OG 3.4Å
795	A	45.6	Very low	69.4	Low	68 Å²	68	52.4 Å²	52.4	56%	0.562	29%	0.288	S	S	*	.	S	Bend	trans	-67	1.2	167.3	0	0	0	0	0	111.9	H715	H715-A795 WeakPolarHBondContact ND1-CB 3.35Å; H715-A795 PolarHBondContact ND1-O 3.12Å
796	S	45.1	Very low	69.2	Low	12 Å²	12	55.7 Å²	55.7	8%	0.084	30%	0.303	C	S	.	.	S	Bend	trans	-89.7	126.7	164.4	84.8	0	0	0	0	107.5	M714 H715 S794 R798	M714-S796 WeakPolarHBondContact O-CA 3.46Å; M714-S796 WeakPolarHBondContact O-CB 3.46Å; H715-S796 PolarHBondContact CE1-N 2.83Å; H715-S796 PolarHBondContact ND1-N 3.48Å; H715-S796 VanDerWaalsContact ND1-N 3.19Å; S794-S796 PolarHBondContact O-N 3.07Å; S794-S796 PolarHBondContact OG-N 3.38Å; S794-S796 PolarHBondContact OG-OG 3.4Å; S796-R798 PolarHBondContact O-N 3.04Å
797	K	49.6	Very low	69.2	Low	219 Å²	219	53.9 Å²	53.9	95%	0.952	29%	0.293	S	S	*	.			trans	-65.5	19.8	177.3	-61.4	178.3	179.4	176.4	0	113.8
798	R	51.6	Low	69.3	Low	142 Å²	142	55.5 Å²	55.5	54%	0.536	30%	0.3	S	S	.	.			trans	-84.9	125.3	-179.9	-62.1	-160.5	-78	-172.3	-9	109.4	M714 S796 G800	M714-R798 PolarHBondContact SD-NH2 2.91Å; S796-R798 PolarHBondContact O-N 3.04Å; R798-G800 PolarHBondContact O-N 2.86Å
799	S	45.4	Very low	69.6	Low	126 Å²	126	53.2 Å²	53.2	88%	0.881	29%	0.288	S	S	*	.	S	Bend	trans	-62.9	15.9	-172.5	-40.6	0	0	0	0	117.3
800	G	58	Low	70	Confident	50 Å²	50	53 Å²	53	52%	0.515	29%	0.287	S	S	.	.			trans	-92.5	109.8	175.9	0	0	0	0	0	111.3	R798 V802	R798-G800 PolarHBondContact O-N 2.86Å; G800-V802 PolarHBondContact O-N 2.84Å; G800-V802 VanDerWaalsContact O-N 3.07Å
801	A	66.6	Low	71	Confident	43 Å²	43	52.2 Å²	52.2	36%	0.355	28%	0.282	S	S	.	.			trans	-58.3	112.6	168.5	0	0	0	0	0	109.9	G791	G791-A801 WeakPolarHBondContact O-CA 3.47Å; G791-A801 VanDerWaalsContact O-CB 3.23Å; G791-A801 WeakPolarHBondContact O-CB 3.27Å
802	V	78.6	Confident	72.6	Confident	21 Å²	21	52.6 Å²	52.6	13%	0.127	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-76.3	125.4	176.8	174.3	0	0	0	0	108.6	G800 M925 P926	G800-V802 PolarHBondContact O-N 2.84Å; G800-V802 VanDerWaalsContact O-N 3.07Å; V802-M925 HydrophobicContact CB-CE 3.58Å; V802-M925 HydrophobicContact CG1-CE 3.52Å; V802-M925 HydrophobicContact CG1-CG 3.58Å; V802-M925 HydrophobicContact CG1-SD 4.45Å; V802-P926 WeakPolarHBondContact CG1-O 3.44Å
803	P	86.4	Confident	74.3	Confident	14 Å²	14	44.8 Å²	44.8	9%	0.091	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-76.1	150.1	-177.9	33.9	-39	0	0	0	112	E805 R883 V884 P926	P803-E805 HydrophobicContact CB-CG 4.3Å; P803-E805 HydrophobicContact CG-CG 4.13Å; P803-R883 HydrophobicContact CB-CG 3.92Å; P803-V884 CarbonylContact C-O 3.44Å; P803-V884 WeakPolarHBondContact CA-O 3.29Å; P803-P926 HydrophobicContact CG-CG 4.42Å
804	C	89.5	Confident	75.8	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	127.5	157.7	-62.5	0	0	0	0	108.4	V807 R883 V884 Y923	C804-V807 HydrophobicContact CB-CG2 4Å; C804-R883 CarbonylContact O-C 3.6Å; C804-R883 VanDerWaalsContact O-CA 3.29Å; C804-R883 WeakPolarHBondContact O-CA 3.04Å; C804-V884 PolarHBondContact N-O 2.74Å; C804-V884 PolarHBondContact O-N 2.62Å; C804-Y923 HydrophobicContact CB-CD2 3.96Å; C804-Y923 HydrophobicContact CB-CE2 4.41Å; C804-Y923 HydrophobicContact CB-CG 4.41Å
805	E	91.5	Very high	77.5	Confident	25 Å²	25	46.2 Å²	46.2	12%	0.117	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	145.6	-178.2	-66.1	-172.3	157.7	0	0	111.1	L288 P803 P882 R883 T924 P926	L288-E805 WeakPolarHBondContact CD1-OE2 3.43Å; P803-E805 HydrophobicContact CB-CG 4.3Å; P803-E805 HydrophobicContact CG-CG 4.13Å; E805-P882 WeakPolarHBondContact CA-O 3.14Å; E805-R883 HydrophobicContact CG-CB 4.37Å; E805-R883 HydrophobicContact CG-CG 4.1Å; E805-R883 IonicContact OE1-CZ 3.89Å; E805-R883 IonicContact OE1-NE 3.46Å; E805-R883 IonicContact OE1-NH1 3.91Å; E805-R883 PolarHBondContact OE1-NH1 3.2Å; E805-T924 PolarHBondContact N-O 3.04Å; E805-T924 PolarHBondContact O-N 3.26Å; E805-T924 VanDerWaalsContact O-O 3.11Å; E805-T924 PolarHBondContact O-OG1 3.23Å; E805-P926 HydrophobicContact CG-CG 4.5Å
806	K	92	Very high	79.2	Confident	70 Å²	70	47 Å²	47	30%	0.304	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	56.7	49	-178.4	-45.9	-167.3	-174.8	-157.7	0	111.7	D286 P882	D286-K806 WeakPolarHBondContact OD2-CE 3.49Å; D286-K806 IonicContact OD2-NZ 2.9Å; D286-K806 PolarHBondContact OD2-NZ 2.93Å; K806-P882 PolarHBondContact N-O 3.36Å
807	V	94.5	Very high	81.1	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	128.8	176.6	-173.5	0	0	0	0	109.4	M768 C804 I809 R880 I881 E922	M768-V807 HydrophobicContact CE-CG1 3.81Å; M768-V807 HydrophobicContact SD-CG1 3.87Å; M768-V807 HydrophobicContact SD-CG2 4.34Å; C804-V807 HydrophobicContact CB-CG2 4Å; V807-I809 HydrophobicContact CG1-CD1 4.31Å; V807-I809 HydrophobicContact CG1-CG1 4.1Å; V807-R880 CarbonylContact O-C 3.56Å; V807-R880 VanDerWaalsContact O-CA 3.32Å; V807-R880 WeakPolarHBondContact O-CA 3.36Å; V807-I881 HydrophobicContact CB-CB 4.06Å; V807-I881 HydrophobicContact CB-CG1 4.43Å; V807-I881 HydrophobicContact CG1-CD1 4.43Å; V807-I881 PolarHBondContact N-O 3.46Å; V807-I881 PolarHBondContact O-N 3.33Å; V807-E922 CarbonylContact C-O 3.5Å; V807-E922 WeakPolarHBondContact CA-O 3.17Å
808	E	95	Very high	82.7	Confident	36 Å²	36	36.4 Å²	36.4	17%	0.168	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	118.5	174.4	-175.6	155.5	146.1	0	0	108.5	Y874 V878 W879 R880 E922	E808-Y874 VanDerWaalsContact OE1-CZ 3.23Å; E808-Y874 PolarHBondContact OE1-OH 2.85Å; E808-V878 HydrophobicContact CG-CG1 3.62Å; E808-W879 WeakPolarHBondContact CA-O 3.44Å; E808-R880 VanDerWaalsContact CD-NH2 3.29Å; E808-R880 HydrophobicContact CG-CG 4.32Å; E808-R880 IonicContact OE1-CZ 3.82Å; E808-R880 IonicContact OE1-NE 3.99Å; E808-R880 IonicContact OE1-NH2 3.83Å; E808-R880 PolarHBondContact OE1-NH2 2.8Å; E808-R880 IonicContact OE2-CZ 2.7Å; E808-R880 VanDerWaalsContact OE2-CZ 3.26Å; E808-R880 IonicContact OE2-NE 2.76Å; E808-R880 PolarHBondContact OE2-NE 2.84Å; E808-R880 IonicContact OE2-NH2 3.43Å; E808-R880 PolarHBondContact OE2-NH2 3.42Å; E808-R880 VanDerWaalsContact OE2-NH2 3.12Å; E808-E922 PolarHBondContact N-O 3.2Å; E808-E922 PolarHBondContact O-N 3.07Å
809	I	96.6	Very high	84.2	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	116.6	177	-58.9	179.3	0	0	0	108.2	M768 V770 L787 V807 I811 V878 W879 I921	M768-I809 HydrophobicContact CE-CD1 4.2Å; V770-I809 HydrophobicContact CG1-CD1 4.38Å; V770-I809 HydrophobicContact CG2-CD1 4.06Å; L787-I809 HydrophobicContact CD1-CD1 3.75Å; V807-I809 HydrophobicContact CG1-CD1 4.31Å; V807-I809 HydrophobicContact CG1-CG1 4.1Å; I809-I811 HydrophobicContact CG2-CD1 4.47Å; I809-I811 HydrophobicContact CG2-CG1 3.9Å; I809-V878 WeakPolarHBondContact O-CA 3.39Å; I809-W879 HydrophobicContact CB-CB 4.37Å; I809-W879 HydrophobicContact CD1-CE3 4.01Å; I809-W879 HydrophobicContact CD1-CZ3 4.32Å; I809-W879 PolarHBondContact N-O 2.8Å; I809-W879 PolarHBondContact O-N 2.84Å; I809-I921 HydrophobicContact CG1-CG1 4.18Å; I809-I921 HydrophobicContact CG1-CG2 4.19Å; I809-I921 HydrophobicContact CG2-CG1 4.08Å
810	N	95	Very high	85.9	Confident	7 Å²	7	30 Å²	30	4%	0.037	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	102.2	-179	-60.3	-21.3	0	0	0	108.6	A876 V878 C919 Q920	N810-A876 HydrophobicContact CB-CB 4.15Å; N810-V878 VanDerWaalsContact OD1-CG1 3.22Å; N810-V878 WeakPolarHBondContact OD1-CG1 3.45Å; N810-V878 WeakPolarHBondContact OD1-CG2 3.29Å; N810-C919 WeakPolarHBondContact O-CA 3.31Å; N810-C919 WeakPolarHBondContact O-CB 3.33Å; N810-Q920 HydrophobicContact CB-CB 4.22Å; N810-Q920 PolarHBondContact N-O 2.91Å; N810-Q920 PolarHBondContact O-N 2.83Å
811	I	95.2	Very high	87.1	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	113.2	177.7	-46	178.2	0	0	0	108.1	V772 Y774 M783 C785 I809 A876 I877 L897	V772-I811 HydrophobicContact CG1-CG2 3.87Å; Y774-I811 HydrophobicContact CE2-CG2 3.82Å; Y774-I811 WeakPolarHBondContact OH-CG2 3.48Å; M783-I811 HydrophobicContact CE-CD1 3.97Å; M783-I811 HydrophobicContact SD-CB 4.28Å; M783-I811 HydrophobicContact SD-CD1 3.96Å; M783-I811 HydrophobicContact SD-CG2 3.83Å; C785-I811 HydrophobicContact CB-CD1 3.64Å; I809-I811 HydrophobicContact CG2-CD1 4.47Å; I809-I811 HydrophobicContact CG2-CG1 3.9Å; I811-A876 CarbonylContact O-C 3.57Å; I811-A876 WeakPolarHBondContact O-CA 3.43Å; I811-A876 VanDerWaalsContact O-CB 3.24Å; I811-A876 WeakPolarHBondContact O-CB 3.31Å; I811-I877 PolarHBondContact N-O 2.92Å; I811-I877 PolarHBondContact O-N 2.82Å; I811-L897 HydrophobicContact CD1-CD2 3.81Å
812	P	93.1	Very high	87.8	Confident	12 Å²	12	32.7 Å²	32.7	8%	0.078	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	142.6	-175	27.2	-36.2	0	0	0	111.4	Y774 I916 Y918 I962	Y774-P812 PolarHBondContact OH-O 2.91Å; P812-I916 HydrophobicContact CB-CB 3.81Å; P812-I916 HydrophobicContact CB-CD1 3.93Å; P812-I916 HydrophobicContact CB-CG1 4.36Å; P812-I916 HydrophobicContact CB-CG2 4.19Å; P812-I916 HydrophobicContact CG-CB 3.93Å; P812-I916 HydrophobicContact CG-CG2 4.1Å; P812-Y918 WeakPolarHBondContact CG-O 3.4Å; P812-I962 HydrophobicContact CG-CD1 3.62Å
813	F	88.5	Confident	87.8	Confident	7 Å²	7	34.2 Å²	34.2	3%	0.031	16%	0.157	C	C	.	.			trans	-132.4	128.9	-179.8	-138.7	-93.2	0	0	0	110.7	Y774 M783 W817 F821 Y870 K875 I877 L901	Y774-F813 HydrophobicContact CE1-CD2 4.44Å; Y774-F813 HydrophobicContact CE1-CE2 4.08Å; Y774-F813 WeakPolarHBondContact OH-CD2 3.36Å; M783-F813 HydrophobicContact SD-CE2 4.36Å; F813-W817 HydrophobicContact CD1-CB 4.03Å; F813-W817 HydrophobicContact CD1-CE3 4.2Å; F813-W817 HydrophobicContact CE1-CB 3.66Å; F813-W817 HydrophobicContact CE1-CD2 4.31Å; F813-W817 AromaticContact CE1-CE3 3.59Å; F813-W817 HydrophobicContact CE1-CE3 3.59Å; F813-W817 HydrophobicContact CE1-CG 4.41Å; F813-W817 AromaticContact CZ-CE3 3.98Å; F813-W817 HydrophobicContact CZ-CE3 3.98Å; F813-F821 AromaticContact CD1-CE2 3.75Å; F813-F821 HydrophobicContact CD1-CE2 3.75Å; F813-F821 HydrophobicContact CD1-CZ 4.43Å; F813-F821 AromaticContact CE1-CE2 3.48Å; F813-F821 HydrophobicContact CE1-CE2 3.48Å; F813-F821 VanDerWaalsContact CE1-CE2 3.48Å; F813-F821 AromaticContact CE1-CZ 3.99Å; F813-F821 HydrophobicContact CE1-CZ 3.99Å; F813-F821 HydrophobicContact CE2-CZ 4.38Å; F813-F821 HydrophobicContact CG-CE2 4.4Å; F813-F821 AromaticContact CZ-CE2 3.95Å; F813-F821 HydrophobicContact CZ-CE2 3.95Å; F813-F821 AromaticContact CZ-CZ 3.97Å; F813-F821 HydrophobicContact CZ-CZ 3.97Å; F813-Y870 HydrophobicContact CB-CD2 4.31Å; F813-Y870 HydrophobicContact CB-CE2 4.1Å; F813-K875 PolarHBondContact N-O 3.32Å; F813-I877 HydrophobicContact CB-CG1 4.49Å; F813-I877 HydrophobicContact CD2-CD1 3.47Å; F813-I877 VanDerWaalsContact CD2-CD1 3.47Å; F813-I877 HydrophobicContact CD2-CG1 3.85Å; F813-I877 HydrophobicContact CE2-CD1 3.56Å; F813-I877 HydrophobicContact CE2-CG1 4.43Å; F813-I877 HydrophobicContact CG-CD1 4.26Å; F813-I877 HydrophobicContact CG-CG1 4.29Å; F813-I877 HydrophobicContact CZ-CD1 4.41Å; F813-L901 HydrophobicContact CE1-CD1 3.59Å; F813-L901 HydrophobicContact CZ-CD1 3.54Å
814	P	86.9	Confident	87.2	Confident	17 Å²	17	40.5 Å²	40.5	11%	0.11	19%	0.185	C	C	.	.			trans	-55.9	148.1	-179.6	-27.4	35.7	0	0	0	113.7	E816 W817 P910 L915	P814-E816 VanDerWaalsContact C-N 3.32Å; P814-E816 VanDerWaalsContact CB-OE2 3.25Å; P814-E816 WeakPolarHBondContact CB-OE2 3.49Å; P814-E816 PolarHBondContact O-N 3.49Å; P814-W817 HydrophobicContact CB-CD2 4.25Å; P814-W817 HydrophobicContact CB-CE3 4.2Å; P814-W817 HydrophobicContact CG-CD2 4.27Å; P814-W817 HydrophobicContact CG-CE3 3.76Å; P814-W817 HydrophobicContact CG-CH2 4.33Å; P814-W817 HydrophobicContact CG-CZ3 3.79Å; P814-W817 PolarHBondContact O-N 3.3Å; P814-P910 HydrophobicContact CB-CG 3.57Å; P814-P910 HydrophobicContact CG-CG 3.9Å; P814-L915 HydrophobicContact CG-CD2 3.69Å
815	E	82.5	Confident	86.3	Confident	99 Å²	99	46.2 Å²	46.2	46%	0.463	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-70.1	-34	-172.1	-64.1	-159.4	178.6	0	0	112.7	W817 I818 K875	E815-W817 PolarHBondContact O-N 3.24Å; E815-I818 VanDerWaalsContact CA-CD1 3.47Å; E815-I818 HydrophobicContact CB-CD1 3.88Å; E815-I818 HydrophobicContact CG-CD1 3.99Å; E815-I818 WeakPolarHBondContact O-CB 3.39Å; E815-I818 VanDerWaalsContact O-CG1 3.29Å; E815-I818 WeakPolarHBondContact O-CG1 3.2Å; E815-I818 PolarHBondContact O-N 3.36Å; E815-I818 VanDerWaalsContact O-N 3.13Å; E815-K875 VanDerWaalsContact OE1-CD 3.26Å; E815-K875 WeakPolarHBondContact OE1-CD 3.31Å; E815-K875 WeakPolarHBondContact OE1-CE 3.29Å; E815-K875 IonicContact OE1-NZ 2.94Å; E815-K875 PolarHBondContact OE1-NZ 2.89Å
816	E	82.3	Confident	84.7	Confident	86 Å²	86	54 Å²	54	40%	0.402	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-56.3	-30.4	176.9	-58.5	80.4	179.3	0	0	111.9	P814 Y819	P814-E816 VanDerWaalsContact C-N 3.32Å; P814-E816 VanDerWaalsContact CB-OE2 3.25Å; P814-E816 WeakPolarHBondContact CB-OE2 3.49Å; P814-E816 PolarHBondContact O-N 3.49Å; E816-Y819 VanDerWaalsContact O-CD1 3.26Å; E816-Y819 WeakPolarHBondContact O-CD1 3.18Å; E816-Y819 WeakPolarHBondContact O-CE1 3.49Å
817	W	84.7	Confident	83	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.008	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-100.6	-1.4	-175.8	-53.4	-18.6	0	0	0	113.3	I776 V781 F813 P814 E815 Y819 H820 L901 L903 T908 V909 P910	I776-W817 HydrophobicContact CD1-CH2 4.12Å; V781-W817 HydrophobicContact CG1-CE3 4.46Å; V781-W817 HydrophobicContact CG1-CH2 4.11Å; V781-W817 HydrophobicContact CG1-CZ3 3.78Å; V781-W817 HydrophobicContact CG2-CH2 3.75Å; V781-W817 HydrophobicContact CG2-CZ2 4.03Å; V781-W817 HydrophobicContact CG2-CZ3 4.13Å; F813-W817 HydrophobicContact CD1-CB 4.03Å; F813-W817 HydrophobicContact CD1-CE3 4.2Å; F813-W817 HydrophobicContact CE1-CB 3.66Å; F813-W817 HydrophobicContact CE1-CD2 4.31Å; F813-W817 AromaticContact CE1-CE3 3.59Å; F813-W817 HydrophobicContact CE1-CE3 3.59Å; F813-W817 HydrophobicContact CE1-CG 4.41Å; F813-W817 AromaticContact CZ-CE3 3.98Å; F813-W817 HydrophobicContact CZ-CE3 3.98Å; P814-W817 HydrophobicContact CB-CD2 4.25Å; P814-W817 HydrophobicContact CB-CE3 4.2Å; P814-W817 HydrophobicContact CG-CD2 4.27Å; P814-W817 HydrophobicContact CG-CE3 3.76Å; P814-W817 HydrophobicContact CG-CH2 4.33Å; P814-W817 HydrophobicContact CG-CZ3 3.79Å; P814-W817 PolarHBondContact O-N 3.3Å; E815-W817 PolarHBondContact O-N 3.24Å; W817-Y819 PolarHBondContact O-N 3.31Å; W817-H820 PolarHBondContact O-N 2.63Å; W817-L901 HydrophobicContact CB-CD1 4.32Å; W817-L903 HydrophobicContact CD2-CD2 4.15Å; W817-L903 HydrophobicContact CG-CD2 4.04Å; W817-L903 HydrophobicContact CZ2-CD1 3.9Å; W817-T908 PolarHBondContact NE1-O 2.83Å; W817-V909 HydrophobicContact CZ2-CG1 4.35Å; W817-V909 HydrophobicContact CZ2-CG2 4.45Å; W817-P910 VanDerWaalsContact CZ2-CD 3.42Å; W817-P910 HydrophobicContact CZ2-CG 4.38Å
818	I	83.7	Confident	81.5	Confident	5 Å²	5	61.9 Å²	61.9	3%	0.026	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-57.7	-35.3	-178.2	-67.6	170.1	0	0	0	111.9	E815 H820 F821 R822 Y870	E815-I818 VanDerWaalsContact CA-CD1 3.47Å; E815-I818 HydrophobicContact CB-CD1 3.88Å; E815-I818 HydrophobicContact CG-CD1 3.99Å; E815-I818 WeakPolarHBondContact O-CB 3.39Å; E815-I818 VanDerWaalsContact O-CG1 3.29Å; E815-I818 WeakPolarHBondContact O-CG1 3.2Å; E815-I818 PolarHBondContact O-N 3.36Å; E815-I818 VanDerWaalsContact O-N 3.13Å; I818-H820 PolarHBondContact O-N 3.32Å; I818-F821 PolarHBondContact O-N 3.03Å; I818-R822 HydrophobicContact CG2-CG 4.31Å; I818-Y870 HydrophobicContact CB-CE1 4.43Å; I818-Y870 HydrophobicContact CD1-CE1 4.35Å; I818-Y870 WeakPolarHBondContact CD1-OH 3.39Å; I818-Y870 HydrophobicContact CG1-CE1 4.09Å; I818-Y870 HydrophobicContact CG1-CE2 4.07Å; I818-Y870 WeakPolarHBondContact CG1-OH 3.48Å; I818-Y870 HydrophobicContact CG2-CD1 4.16Å; I818-Y870 HydrophobicContact CG2-CE1 3.59Å
819	Y	82.4	Confident	80.2	Confident	93 Å²	93	65.9 Å²	65.9	37%	0.365	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-61.5	-30.5	-172	78.6	-95.2	0	0	0	112.4	E816 W817 F821 R822 D907	E816-Y819 VanDerWaalsContact O-CD1 3.26Å; E816-Y819 WeakPolarHBondContact O-CD1 3.18Å; E816-Y819 WeakPolarHBondContact O-CE1 3.49Å; W817-Y819 PolarHBondContact O-N 3.31Å; Y819-F821 PolarHBondContact O-N 3.26Å; Y819-R822 PolarHBondContact O-N 3.03Å; Y819-D907 WeakPolarHBondContact CE1-OD1 3Å; Y819-D907 VanDerWaalsContact OH-CG 3.27Å; Y819-D907 PolarHBondContact OH-OD1 3.34Å; Y819-D907 PolarHBondContact OH-OD2 3.14Å
820	H	81.3	Confident	78.9	Confident	40 Å²	40	66.9 Å²	66.9	19%	0.185	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-56.6	-32.9	172.5	-69.6	-78.1	0	0	0	112.2	W817 I818 M860 L901 D907	W817-H820 PolarHBondContact O-N 2.63Å; I818-H820 PolarHBondContact O-N 3.32Å; H820-M860 HydrophobicContact CB-CE 4.31Å; H820-M860 HydrophobicContact CB-SD 4.14Å; H820-M860 VanDerWaalsContact O-CE 3.28Å; H820-M860 WeakPolarHBondContact O-CE 3.24Å; H820-L901 HydrophobicContact CB-CD2 3.77Å; H820-D907 IonicContact CE1-OD2 3.88Å; H820-D907 IonicContact NE2-OD2 3.17Å; H820-D907 PolarHBondContact NE2-OD2 2.94Å
821	F	83.1	Confident	78	Confident	1 Å²	1	67.6 Å²	67.6	0%	0.004	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-87.7	-7.7	178.8	-58.5	-86.8	0	0	0	114.1	F813 I818 Y819 S831 V832 M860 Y870 I877 C899 L901	F813-F821 AromaticContact CD1-CE2 3.75Å; F813-F821 HydrophobicContact CD1-CE2 3.75Å; F813-F821 HydrophobicContact CD1-CZ 4.43Å; F813-F821 AromaticContact CE1-CE2 3.48Å; F813-F821 HydrophobicContact CE1-CE2 3.48Å; F813-F821 VanDerWaalsContact CE1-CE2 3.48Å; F813-F821 AromaticContact CE1-CZ 3.99Å; F813-F821 HydrophobicContact CE1-CZ 3.99Å; F813-F821 HydrophobicContact CE2-CZ 4.38Å; F813-F821 HydrophobicContact CG-CE2 4.4Å; F813-F821 AromaticContact CZ-CE2 3.95Å; F813-F821 HydrophobicContact CZ-CE2 3.95Å; F813-F821 AromaticContact CZ-CZ 3.97Å; F813-F821 HydrophobicContact CZ-CZ 3.97Å; I818-F821 PolarHBondContact O-N 3.03Å; Y819-F821 PolarHBondContact O-N 3.26Å; F821-S831 CarbonylContact O-C 3.35Å; F821-S831 VanDerWaalsContact O-CA 3.26Å; F821-S831 WeakPolarHBondContact O-CA 3.48Å; F821-V832 HydrophobicContact CD1-CB 4.32Å; F821-V832 PolarHBondContact O-N 3.35Å; F821-M860 HydrophobicContact CD1-SD 4.03Å; F821-M860 HydrophobicContact CE1-SD 3.9Å; F821-M860 HydrophobicContact CZ-SD 4.29Å; F821-Y870 HydrophobicContact CB-CD1 4.49Å; F821-Y870 HydrophobicContact CB-CG 4.18Å; F821-Y870 HydrophobicContact CG-CG 4.32Å; F821-I877 HydrophobicContact CE1-CD1 3.93Å; F821-I877 HydrophobicContact CE1-CG1 4.39Å; F821-I877 HydrophobicContact CZ-CD1 3.71Å; F821-I877 HydrophobicContact CZ-CG1 4.33Å; F821-C899 VanDerWaalsContact CZ-SG 3.6Å; F821-L901 HydrophobicContact CE2-CD1 4.37Å
822	R	80.9	Confident	77	Confident	149 Å²	149	69 Å²	69	56%	0.562	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	123.2	-180	-65.3	-175.6	-177.9	-172.2	2.5	109.9	I818 Y819	I818-R822 HydrophobicContact CG2-CG 4.31Å; Y819-R822 PolarHBondContact O-N 3.03Å
823	V	78.9	Confident	76.5	Confident	54 Å²	54	72.8 Å²	72.8	33%	0.327	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	117.5	176.1	-177.9	0	0	0	0	108.9	K825 G830 V832	V823-K825 PolarHBondContact O-N 3.23Å; V823-G830 PolarHBondContact N-O 3.15Å; V823-G830 PolarHBondContact O-N 2.92Å; V823-V832 HydrophobicContact CG2-CB 4.39Å; V823-V832 HydrophobicContact CG2-CG2 3.49Å; V823-V832 VanDerWaalsContact CG2-CG2 3.49Å
824	E	74.2	Confident	76.2	Confident	146 Å²	146	73.4 Å²	73.4	68%	0.682	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	130.5	169.1	-75.5	-178.6	-174.1	0	0	110.6	Y829	E824-Y829 HydrophobicContact CG-CD1 3.85Å; E824-Y829 HydrophobicContact CG-CE1 3.33Å; E824-Y829 PolarHBondContact OE1-OH 2.64Å
825	K	70.9	Confident	75.7	Confident	119 Å²	119	75.6 Å²	75.6	52%	0.517	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	150.7	167.1	-54.1	-177	176.9	-174.5	0	107.3	V823 H827 K828	V823-K825 PolarHBondContact O-N 3.23Å; K825-H827 PolarHBondContact O-N 2.78Å; K825-K828 WeakPolarHBondContact CA-O 3.45Å; K825-K828 VanDerWaalsContact CB-O 3.29Å; K825-K828 WeakPolarHBondContact CB-O 3.21Å; K825-K828 PolarHBondContact N-O 3.24Å; K825-K828 PolarHBondContact O-N 2.73Å
826	H	58	Low	75.2	Confident	190 Å²	190	76.3 Å²	76.3	88%	0.88	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-38.7	-24.5	-173	-63.2	90	0	0	0	118.2
827	H	55.8	Low	74.3	Confident	161 Å²	161	75.9 Å²	75.9	75%	0.745	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.3	2.1	174.2	-62.9	93.5	0	0	0	115.5	K558 K825	K558-H827 WeakPolarHBondContact CE-O 3.36Å; K825-H827 PolarHBondContact O-N 2.78Å
828	K	63.5	Low	73	Confident	75 Å²	75	83.2 Å²	83.2	33%	0.326	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	150.1	-174.1	-64	-171.1	-178.3	-175.5	0	111.3	S301 K825	S301-K828 PolarHBondContact OG-NZ 3.37Å; K825-K828 WeakPolarHBondContact CA-O 3.45Å; K825-K828 VanDerWaalsContact CB-O 3.29Å; K825-K828 WeakPolarHBondContact CB-O 3.21Å; K825-K828 PolarHBondContact N-O 3.24Å; K825-K828 PolarHBondContact O-N 2.73Å
829	Y	67.2	Low	71.4	Confident	120 Å²	120	86.4 Å²	86.4	47%	0.471	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	138	164.1	-70.3	-92.9	0	0	0	110.2	Y559 E824	Y559-Y829 AromaticContact CD1-CD2 3.8Å; Y559-Y829 HydrophobicContact CD1-CD2 3.8Å; Y559-Y829 HydrophobicContact CD1-CE2 4.23Å; Y559-Y829 AromaticContact CE1-CD2 3.81Å; Y559-Y829 HydrophobicContact CE1-CD2 3.81Å; Y559-Y829 AromaticContact CE1-CE2 3.84Å; Y559-Y829 HydrophobicContact CE1-CE2 3.84Å; E824-Y829 HydrophobicContact CG-CD1 3.85Å; E824-Y829 HydrophobicContact CG-CE1 3.33Å; E824-Y829 PolarHBondContact OE1-OH 2.64Å
830	G	69.2	Low	69.6	Low	22 Å²	22	84.7 Å²	84.7	23%	0.227	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	167.5	172	0	0	0	0	0	111.6	V823	V823-G830 PolarHBondContact N-O 3.15Å; V823-G830 PolarHBondContact O-N 2.92Å
831	S	76.2	Confident	68.1	Low	21 Å²	21	91.6 Å²	91.6	15%	0.147	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	150	164.9	178.8	0	0	0	0	110.4	F821 H833 Y870	F821-S831 CarbonylContact O-C 3.35Å; F821-S831 VanDerWaalsContact O-CA 3.26Å; F821-S831 WeakPolarHBondContact O-CA 3.48Å; S831-H833 PolarHBondContact O-CE1 2.94Å; S831-H833 VanDerWaalsContact O-CE1 3.31Å; S831-H833 PolarHBondContact O-ND1 3.12Å; S831-Y870 VanDerWaalsContact CB-O 3.31Å; S831-Y870 WeakPolarHBondContact CB-O 3.33Å; S831-Y870 PolarHBondContact OG-N 2.66Å; S831-Y870 PolarHBondContact OG-O 3.4Å
832	V	74.5	Confident	66.6	Low	30 Å²	30	96.7 Å²	96.7	18%	0.182	48%	0.475	C	S	.	.			trans	-51.8	137.4	153.7	175.8	0	0	0	0	108.4	F821 V823 M860 K869	F821-V832 HydrophobicContact CD1-CB 4.32Å; F821-V832 PolarHBondContact O-N 3.35Å; V823-V832 HydrophobicContact CG2-CB 4.39Å; V823-V832 HydrophobicContact CG2-CG2 3.49Å; V823-V832 VanDerWaalsContact CG2-CG2 3.49Å; V832-M860 HydrophobicContact CG2-CE 4.35Å; V832-K869 WeakPolarHBondContact O-CB 3.38Å
833	H	81.3	Confident	64.8	Low	92 Å²	92	99.5 Å²	99.5	43%	0.426	49%	0.492	S	S	.	.	B	Isolated β-bridge	trans	-111.8	146.8	173.8	-69.2	56	0	0	0	108.3	S831 T835	S831-H833 PolarHBondContact O-CE1 2.94Å; S831-H833 VanDerWaalsContact O-CE1 3.31Å; S831-H833 PolarHBondContact O-ND1 3.12Å; H833-T835 PolarHBondContact O-N 3.21Å
834	S	82.1	Confident	63.4	Low	19 Å²	19	99.9 Å²	99.9	13%	0.133	51%	0.506	C	S	.	.	P	Polyproline II helix	trans	-60.1	133.8	179	59	0	0	0	0	111.9	L861 A868	S834-L861 CarbonylContact C-O 3.56Å; S834-L861 VanDerWaalsContact CA-O 3.29Å; S834-L861 WeakPolarHBondContact CA-O 3.44Å; S834-A868 WeakPolarHBondContact CB-O 3.22Å; S834-A868 PolarHBondContact N-O 3.2Å; S834-A868 PolarHBondContact OG-N 2.92Å; S834-A868 PolarHBondContact OG-O 3.46Å
835	T	76.9	Confident	62.3	Low	63 Å²	63	96.6 Å²	96.6	39%	0.387	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	142.9	163.7	53.5	0	0	0	0	109.7	H833 R837 S859 L861 E862 A863	H833-T835 PolarHBondContact O-N 3.21Å; T835-R837 PolarHBondContact O-N 3.1Å; T835-S859 VanDerWaalsContact CG2-OG 3.32Å; T835-S859 WeakPolarHBondContact CG2-OG 3.43Å; T835-S859 WeakPolarHBondContact OG1-CB 3.43Å; T835-S859 PolarHBondContact OG1-OG 2.79Å; T835-L861 PolarHBondContact N-O 3.31Å; T835-L861 PolarHBondContact OG1-O 3.45Å; T835-E862 WeakPolarHBondContact O-CA 3.23Å; T835-A863 PolarHBondContact O-N 2.99Å
836	L	71.8	Confident	61.3	Low	115 Å²	115	94.3 Å²	94.3	60%	0.602	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.1	119	174.8	-176.6	69.4	0	0	0	109.5	K838 A863 S864	L836-K838 PolarHBondContact O-N 2.95Å; L836-A863 WeakPolarHBondContact CA-O 3.18Å; L836-S864 WeakPolarHBondContact CD1-O 3.42Å
837	R	62.9	Low	60.9	Low	76 Å²	76	94.4 Å²	94.4	29%	0.287	48%	0.477	S	S	.	.			trans	-67.6	101.6	170.6	-65.3	-172.7	140.4	173.8	-1.3	109.2	T835 P839 E862 A863 T898	T835-R837 PolarHBondContact O-N 3.1Å; R837-P839 VanDerWaalsContact O-CD 3.26Å; R837-P839 WeakPolarHBondContact O-CD 3.05Å; R837-E862 HydrophobicContact CG-CB 3.69Å; R837-E862 IonicContact CZ-OE2 3.17Å; R837-E862 IonicContact NE-OE2 2.76Å; R837-E862 PolarHBondContact NE-OE2 3.45Å; R837-E862 IonicContact NH2-OE2 2.73Å; R837-E862 PolarHBondContact NH2-OE2 3.13Å; R837-A863 PolarHBondContact N-O 3.17Å; R837-T898 PolarHBondContact NH1-OG1 3.22Å; R837-T898 PolarHBondContact NH2-OG1 3.21Å
838	K	58.4	Low	60.6	Low	157 Å²	157	92 Å²	92	68%	0.683	47%	0.468	S	S	*	.			trans	-60.2	117	173.1	-73.1	-177.2	177.8	176.8	0	109	L836 G840	L836-K838 PolarHBondContact O-N 2.95Å; K838-G840 PolarHBondContact O-N 2.83Å
839	P	49.5	Very low	60.2	Low	72 Å²	72	90.4 Å²	90.4	47%	0.468	47%	0.465	S	S	.	.			trans	-68.2	129.9	175	27.6	-32.7	0	0	0	109.8	R837 K841	R837-P839 VanDerWaalsContact O-CD 3.26Å; R837-P839 WeakPolarHBondContact O-CD 3.05Å; P839-K841 PolarHBondContact O-N 2.92Å
840	G	45	Very low	59.5	Low	56 Å²	56	90.2 Å²	90.2	58%	0.577	47%	0.469	S	S	*	.	S	Bend	trans	-64.5	87.5	-179.1	0	0	0	0	0	112.7	K838 E846	K838-G840 PolarHBondContact O-N 2.83Å; G840-E846 WeakPolarHBondContact CA-OE1 3.12Å
841	K	50.3	Low	58.6	Low	186 Å²	186	95.2 Å²	95.2	81%	0.809	49%	0.487	S	S	*	.			trans	-125.9	11.3	176.9	-74.2	-164.8	174.5	-176.5	0	114.1	P839	P839-K841 PolarHBondContact O-N 2.92Å
842	I	50.4	Low	57.4	Low	107 Å²	107	96.5 Å²	96.5	55%	0.549	50%	0.499	S	S	.	.			trans	-110.8	81.6	175.7	-46.5	179.5	0	0	0	109.8	G844 L845 E846	I842-G844 PolarHBondContact O-N 2.92Å; I842-L845 HydrophobicContact CB-CB 4Å; I842-L845 HydrophobicContact CD1-CD2 4.13Å; I842-L845 HydrophobicContact CG2-CB 3.43Å; I842-L845 VanDerWaalsContact CG2-CB 3.43Å; I842-L845 HydrophobicContact CG2-CD2 4.48Å; I842-L845 PolarHBondContact O-N 2.85Å; I842-L845 VanDerWaalsContact O-N 3.15Å; I842-E846 PolarHBondContact O-N 3.35Å; I842-E846 VanDerWaalsContact O-N 3.15Å
843	K	44.5	Very low	56.3	Low	209 Å²	209	100.3 Å²	100.3	91%	0.909	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	108.3	174.5	-151.6	176.2	-170.8	-178.8	0	108.7
844	G	49	Very low	54.8	Low	61 Å²	61	101.1 Å²	101.1	63%	0.629	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	116.5	-47.3	-176.3	0	0	0	0	0	114.4	I842 E846	I842-G844 PolarHBondContact O-N 2.92Å; G844-E846 VanDerWaalsContact C-N 3.27Å; G844-E846 PolarHBondContact O-N 2.87Å
845	L	50.9	Low	53.1	Low	77 Å²	77	107.2 Å²	107.2	40%	0.403	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.6	-23	174	-159.1	79.9	0	0	0	111.6	I842 R847 I848 T849	I842-L845 HydrophobicContact CB-CB 4Å; I842-L845 HydrophobicContact CD1-CD2 4.13Å; I842-L845 HydrophobicContact CG2-CB 3.43Å; I842-L845 VanDerWaalsContact CG2-CB 3.43Å; I842-L845 HydrophobicContact CG2-CD2 4.48Å; I842-L845 PolarHBondContact O-N 2.85Å; I842-L845 VanDerWaalsContact O-N 3.15Å; L845-R847 PolarHBondContact O-N 2.94Å; L845-R847 VanDerWaalsContact O-N 3.12Å; L845-I848 HydrophobicContact CD1-CD1 4.36Å; L845-I848 CarbonylContact O-C 3.6Å; L845-I848 WeakPolarHBondContact O-CA 3.3Å; L845-I848 PolarHBondContact O-N 3.25Å; L845-T849 HydrophobicContact CD2-CG2 4.01Å; L845-T849 HydrophobicContact CG-CG2 4.29Å; L845-T849 PolarHBondContact O-N 3.33Å; L845-T849 PolarHBondContact O-OG1 3.26Å
846	E	50.9	Low	51.7	Low	72 Å²	72	109.7 Å²	109.7	34%	0.336	57%	0.572	S	S	.	*	H	α-helix	trans	-44.8	-43.8	177.8	-113.6	166.8	-176.3	0	0	113.7	G840 I842 G844 I848 T849 Q850	G840-E846 WeakPolarHBondContact CA-OE1 3.12Å; I842-E846 PolarHBondContact O-N 3.35Å; I842-E846 VanDerWaalsContact O-N 3.15Å; G844-E846 VanDerWaalsContact C-N 3.27Å; G844-E846 PolarHBondContact O-N 2.87Å; E846-I848 PolarHBondContact O-N 2.61Å; E846-T849 WeakPolarHBondContact CA-OG1 3.38Å; E846-T849 PolarHBondContact O-N 3.32Å; E846-T849 PolarHBondContact O-OG1 2.83Å; E846-Q850 WeakPolarHBondContact O-CB 3.18Å; E846-Q850 WeakPolarHBondContact O-CG 3.46Å; E846-Q850 PolarHBondContact O-N 3.45Å
847	R	48.3	Very low	51	Low	191 Å²	191	109.6 Å²	109.6	72%	0.721	58%	0.578	S	S	*	*	H	α-helix	trans	-65.8	-38.7	179.5	-155.1	-174.2	-65.9	-175.6	0.1	112.2	L845 M851	L845-R847 PolarHBondContact O-N 2.94Å; L845-R847 VanDerWaalsContact O-N 3.12Å; R847-M851 WeakPolarHBondContact O-CB 3.22Å; R847-M851 VanDerWaalsContact O-CG 3.29Å; R847-M851 WeakPolarHBondContact O-CG 3.09Å; R847-M851 PolarHBondContact O-N 2.81Å
848	I	50.8	Low	50.9	Low	111 Å²	111	111.8 Å²	111.8	57%	0.569	60%	0.602	S	S	*	*	H	α-helix	trans	-73.7	-41.4	177.6	-59.8	173.8	0	0	0	110.5	L845 E846 M851 A852	L845-I848 HydrophobicContact CD1-CD1 4.36Å; L845-I848 CarbonylContact O-C 3.6Å; L845-I848 WeakPolarHBondContact O-CA 3.3Å; L845-I848 PolarHBondContact O-N 3.25Å; E846-I848 PolarHBondContact O-N 2.61Å; I848-M851 PolarHBondContact O-N 2.96Å; I848-A852 WeakPolarHBondContact O-CB 3.26Å; I848-A852 PolarHBondContact O-N 2.92Å
849	T	53.3	Low	51.4	Low	42 Å²	42	105.6 Å²	105.6	26%	0.258	58%	0.578	S	S	.	*	H	α-helix	trans	-72.9	-30	176.2	39.8	0	0	0	0	113.3	L845 E846 A852 Q853	L845-T849 HydrophobicContact CD2-CG2 4.01Å; L845-T849 HydrophobicContact CG-CG2 4.29Å; L845-T849 PolarHBondContact O-N 3.33Å; L845-T849 PolarHBondContact O-OG1 3.26Å; E846-T849 WeakPolarHBondContact CA-OG1 3.38Å; E846-T849 PolarHBondContact O-N 3.32Å; E846-T849 PolarHBondContact O-OG1 2.83Å; T849-A852 PolarHBondContact O-N 2.87Å; T849-Q853 WeakPolarHBondContact O-CB 3.48Å; T849-Q853 WeakPolarHBondContact O-CG 3.39Å; T849-Q853 PolarHBondContact O-N 2.84Å
850	Q	54.2	Low	53.1	Low	116 Å²	116	104.5 Å²	104.5	54%	0.542	57%	0.568	S	S	.	*	H	α-helix	trans	-70.4	-40.5	171.1	-76.7	171.3	-4	0	0	111	E846 Q853 S854	E846-Q850 WeakPolarHBondContact O-CB 3.18Å; E846-Q850 WeakPolarHBondContact O-CG 3.46Å; E846-Q850 PolarHBondContact O-N 3.45Å; Q850-Q853 PolarHBondContact O-N 3.26Å; Q850-S854 WeakPolarHBondContact O-CB 3.29Å; Q850-S854 PolarHBondContact O-N 3.04Å
851	M	49.5	Very low	55.1	Low	126 Å²	126	101.8 Å²	101.8	62%	0.621	54%	0.54	S	S	*	.	H	α-helix	trans	-60.3	-46.5	169.6	-76.2	175.3	170.6	0	0	111.2	R847 I848 Q853 S854 L855	R847-M851 WeakPolarHBondContact O-CB 3.22Å; R847-M851 VanDerWaalsContact O-CG 3.29Å; R847-M851 WeakPolarHBondContact O-CG 3.09Å; R847-M851 PolarHBondContact O-N 2.81Å; I848-M851 PolarHBondContact O-N 2.96Å; M851-Q853 PolarHBondContact O-N 2.82Å; M851-S854 PolarHBondContact O-N 3.23Å; M851-L855 VanDerWaalsContact O-CG 3.28Å; M851-L855 WeakPolarHBondContact O-CG 3.39Å; M851-L855 PolarHBondContact O-N 3.05Å; M851-L855 VanDerWaalsContact O-N 3.08Å
852	A	51.8	Low	57	Low	48 Å²	48	95.2 Å²	95.2	40%	0.397	51%	0.512	S	S	.	.	H	α-helix	trans	-68.1	-31.2	177.9	0	0	0	0	0	113.9	I848 T849 L856	I848-A852 WeakPolarHBondContact O-CB 3.26Å; I848-A852 PolarHBondContact O-N 2.92Å; T849-A852 PolarHBondContact O-N 2.87Å; A852-L856 WeakPolarHBondContact O-CG 3.32Å; A852-L856 PolarHBondContact O-N 3.38Å
853	Q	51.4	Low	58.9	Low	111 Å²	111	90.1 Å²	90.1	52%	0.519	49%	0.486	S	S	.	.	H	α-helix	trans	-77.4	-32.7	174.5	-78.2	173.7	-33	0	0	112.3	T849 Q850 M851 L855 L856	T849-Q853 WeakPolarHBondContact O-CB 3.48Å; T849-Q853 WeakPolarHBondContact O-CG 3.39Å; T849-Q853 PolarHBondContact O-N 2.84Å; Q850-Q853 PolarHBondContact O-N 3.26Å; M851-Q853 PolarHBondContact O-N 2.82Å; Q853-L855 VanDerWaalsContact C-N 3.26Å; Q853-L855 PolarHBondContact O-N 3.43Å; Q853-L856 PolarHBondContact O-N 3.49Å
854	S	49.6	Very low	61	Low	108 Å²	108	80.9 Å²	80.9	76%	0.755	45%	0.448	S	S	*	.	H	α-helix	trans	-66.5	-29.2	171.3	-169.7	0	0	0	0	112.2	Q850 M851	Q850-S854 WeakPolarHBondContact O-CB 3.29Å; Q850-S854 PolarHBondContact O-N 3.04Å; M851-S854 PolarHBondContact O-N 3.23Å
855	L	45.8	Very low	63	Low	148 Å²	148	79.1 Å²	79.1	78%	0.775	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-10.7	173.9	-70.7	168.1	0	0	0	114.1	M851 Q853	M851-L855 VanDerWaalsContact O-CG 3.28Å; M851-L855 WeakPolarHBondContact O-CG 3.39Å; M851-L855 PolarHBondContact O-N 3.05Å; M851-L855 VanDerWaalsContact O-N 3.08Å; Q853-L855 VanDerWaalsContact C-N 3.26Å; Q853-L855 PolarHBondContact O-N 3.43Å
856	L	48.4	Very low	64.8	Low	115 Å²	115	76.8 Å²	76.8	60%	0.602	42%	0.418	S	S	*	.	S	Bend	trans	-98.6	139.4	174	-70.6	169.7	0	0	0	109.1	A852 Q853	A852-L856 WeakPolarHBondContact O-CG 3.32Å; A852-L856 PolarHBondContact O-N 3.38Å; Q853-L856 PolarHBondContact O-N 3.49Å
857	P	55.2	Low	66.8	Low	112 Å²	112	76.7 Å²	76.7	73%	0.727	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-58	137.8	174.8	24.5	-32.9	0	0	0	109.5	S859	P857-S859 PolarHBondContact O-N 3.2Å
858	P	60.9	Low	68.9	Low	123 Å²	123	67.6 Å²	67.6	80%	0.799	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-56.9	127.6	-177.7	23.7	-33.9	0	0	0	109.1	M860	P858-M860 PolarHBondContact O-N 3.49Å
859	S	70.8	Confident	70.8	Confident	26 Å²	26	64.8 Å²	64.8	18%	0.182	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-67.2	126.7	-177.3	176.8	0	0	0	0	109.6	T835 P857 L861	T835-S859 VanDerWaalsContact CG2-OG 3.32Å; T835-S859 WeakPolarHBondContact CG2-OG 3.43Å; T835-S859 WeakPolarHBondContact OG1-CB 3.43Å; T835-S859 PolarHBondContact OG1-OG 2.79Å; P857-S859 PolarHBondContact O-N 3.2Å; S859-L861 PolarHBondContact O-N 3.41Å; S859-L861 PolarHBondContact OG-N 3.45Å; S859-L861 PolarHBondContact OG-O 3.44Å
860	M	83.2	Confident	72.6	Confident	49 Å²	49	63.4 Å²	63.4	24%	0.241	36%	0.362	C	S	.	.	S	Bend	trans	-55.3	-32.9	177.6	-174.8	-161.6	-53.9	0	0	112.6	H820 F821 V832 P858 C899 N900 L901	H820-M860 HydrophobicContact CB-CE 4.31Å; H820-M860 HydrophobicContact CB-SD 4.14Å; H820-M860 VanDerWaalsContact O-CE 3.28Å; H820-M860 WeakPolarHBondContact O-CE 3.24Å; F821-M860 HydrophobicContact CD1-SD 4.03Å; F821-M860 HydrophobicContact CE1-SD 3.9Å; F821-M860 HydrophobicContact CZ-SD 4.29Å; V832-M860 HydrophobicContact CG2-CE 4.35Å; P858-M860 PolarHBondContact O-N 3.49Å; M860-C899 CarbonylContact O-C 3.05Å; M860-C899 WeakPolarHBondContact O-CA 3.4Å; M860-C899 PolarHBondContact O-SG 3.31Å; M860-N900 PolarHBondContact O-N 3.45Å; M860-L901 HydrophobicContact CG-CD2 3.56Å; M860-L901 HydrophobicContact SD-CD2 3.78Å
861	L	88.8	Confident	74.3	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	119.8	-176.2	-172.7	66.3	0	0	0	109.3	S834 T835 S859 A868 I877 L897 C899	S834-L861 CarbonylContact C-O 3.56Å; S834-L861 VanDerWaalsContact CA-O 3.29Å; S834-L861 WeakPolarHBondContact CA-O 3.44Å; T835-L861 PolarHBondContact N-O 3.31Å; T835-L861 PolarHBondContact OG1-O 3.45Å; S859-L861 PolarHBondContact O-N 3.41Å; S859-L861 PolarHBondContact OG-N 3.45Å; S859-L861 PolarHBondContact OG-O 3.44Å; L861-A868 HydrophobicContact CD2-CB 4.16Å; L861-A868 HydrophobicContact CG-CB 4.5Å; L861-I877 HydrophobicContact CD1-CD1 4.24Å; L861-I877 HydrophobicContact CD1-CG2 4.13Å; L861-I877 HydrophobicContact CD2-CG2 4.43Å; L861-L897 HydrophobicContact CD1-CD1 3.86Å; L861-L897 HydrophobicContact CG-CD1 4.44Å; L861-C899 HydrophobicContact CD1-CB 3.75Å
862	E	89.5	Confident	76	Confident	47 Å²	47	57.5 Å²	57.5	22%	0.22	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	125.8	-175.4	-50.6	-159.8	131.9	0	0	111.1	T835 R837 L897 T898	T835-E862 WeakPolarHBondContact O-CA 3.23Å; R837-E862 HydrophobicContact CG-CB 3.69Å; R837-E862 IonicContact CZ-OE2 3.17Å; R837-E862 IonicContact NE-OE2 2.76Å; R837-E862 PolarHBondContact NE-OE2 3.45Å; R837-E862 IonicContact NH2-OE2 2.73Å; R837-E862 PolarHBondContact NH2-OE2 3.13Å; E862-L897 CarbonylContact O-C 3.49Å; E862-L897 WeakPolarHBondContact O-CA 3.25Å; E862-T898 PolarHBondContact N-O 3.37Å; E862-T898 PolarHBondContact O-N 2.91Å
863	A	90.6	Very high	77.6	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	139.3	178.8	0	0	0	0	0	110.6	T835 L836 R837 L897	T835-A863 PolarHBondContact O-N 2.99Å; L836-A863 WeakPolarHBondContact CA-O 3.18Å; R837-A863 PolarHBondContact N-O 3.17Å; A863-L897 HydrophobicContact CB-CD1 3.94Å
864	S	88.4	Confident	79.3	Confident	16 Å²	16	54 Å²	54	11%	0.112	31%	0.308	C	S	.	.	S	Bend	trans	-73.7	-30.4	175.6	64.5	0	0	0	0	113.9	L836 H895 L896	L836-S864 WeakPolarHBondContact CD1-O 3.42Å; S864-H895 VanDerWaalsContact OG-CA 3.31Å; S864-H895 WeakPolarHBondContact OG-CA 3.31Å; S864-H895 WeakPolarHBondContact OG-CB 2.94Å; S864-L896 PolarHBondContact N-O 2.82Å; S864-L896 PolarHBondContact OG-N 2.97Å; S864-L896 PolarHBondContact OG-O 3.2Å
865	I	89.8	Confident	81.1	Confident	23 Å²	23	53.8 Å²	53.8	12%	0.118	29%	0.293	C	S	.	.	S	Bend	trans	-148.6	163.2	178.4	60.9	168.1	0	0	0	109.8	W879 I881 V884 H895	I865-W879 HydrophobicContact CG1-CZ2 4.15Å; I865-W879 PolarHBondContact O-NE1 2.84Å; I865-I881 HydrophobicContact CD1-CD1 4.1Å; I865-I881 HydrophobicContact CD1-CG2 3.57Å; I865-I881 HydrophobicContact CG1-CD1 4.21Å; I865-I881 HydrophobicContact CG1-CG2 3.99Å; I865-V884 HydrophobicContact CD1-CG1 4.44Å; I865-V884 HydrophobicContact CD1-CG2 3.66Å; I865-H895 HydrophobicContact CD1-CB 4.11Å; I865-H895 VanDerWaalsContact CD1-CG 3.47Å; I865-H895 WeakPolarHBondContact CD1-ND1 3.42Å; I865-H895 HydrophobicContact CG1-CB 4.09Å
866	G	89.6	Confident	83.4	Confident	28 Å²	28	46.8 Å²	46.8	29%	0.289	26%	0.257	S	S	.	.	S	Bend	trans	66.6	-158.9	-179.8	0	0	0	0	0	113.2	R880	G866-R880 CarbonylContact C-O 3.55Å; G866-R880 VanDerWaalsContact CA-O 3.24Å; G866-R880 WeakPolarHBondContact CA-O 3.28Å
867	V	92	Very high	85.5	Confident	71 Å²	71	41.3 Å²	41.3	43%	0.43	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	122.5	177.8	-179.6	0	0	0	0	109	R880	V867-R880 PolarHBondContact N-O 2.9Å; V867-R880 PolarHBondContact O-N 3.48Å
868	A	93.5	Very high	87.4	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	143.1	166.9	0	0	0	0	0	110.8	S834 L861 I877 V878 W879 L897	S834-A868 WeakPolarHBondContact CB-O 3.22Å; S834-A868 PolarHBondContact N-O 3.2Å; S834-A868 PolarHBondContact OG-N 2.92Å; S834-A868 PolarHBondContact OG-O 3.46Å; L861-A868 HydrophobicContact CD2-CB 4.16Å; L861-A868 HydrophobicContact CG-CB 4.5Å; A868-I877 HydrophobicContact CB-CG2 4.19Å; A868-V878 WeakPolarHBondContact CA-O 3.33Å; A868-W879 HydrophobicContact CB-CB 3.99Å; A868-W879 HydrophobicContact CB-CG 4.12Å; A868-L897 HydrophobicContact CB-CD1 3.53Å; A868-L897 HydrophobicContact CB-CD2 4.15Å
869	K	91.2	Very high	89	Confident	52 Å²	52	30.1 Å²	30.1	23%	0.226	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	153.1	173.6	68	-163.7	-177	-166.3	0	109.2	V832 E871 V878	V832-K869 WeakPolarHBondContact O-CB 3.38Å; K869-E871 WeakPolarHBondContact CE-OE1 3.32Å; K869-E871 HydrophobicContact CG-CG 4.06Å; K869-E871 IonicContact NZ-OE1 3.42Å; K869-E871 PolarHBondContact NZ-OE1 3.02Å; K869-V878 PolarHBondContact N-O 2.63Å; K869-V878 PolarHBondContact O-N 2.83Å
870	Y	90.8	Very high	90.2	Very high	13 Å²	13	31.9 Å²	31.9	5%	0.051	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	135.7	171.5	-179.5	-95.9	0	0	0	110.4	F813 I818 F821 S831 H872 A876 I877	F813-Y870 HydrophobicContact CB-CD2 4.31Å; F813-Y870 HydrophobicContact CB-CE2 4.1Å; I818-Y870 HydrophobicContact CB-CE1 4.43Å; I818-Y870 HydrophobicContact CD1-CE1 4.35Å; I818-Y870 WeakPolarHBondContact CD1-OH 3.39Å; I818-Y870 HydrophobicContact CG1-CE1 4.09Å; I818-Y870 HydrophobicContact CG1-CE2 4.07Å; I818-Y870 WeakPolarHBondContact CG1-OH 3.48Å; I818-Y870 HydrophobicContact CG2-CD1 4.16Å; I818-Y870 HydrophobicContact CG2-CE1 3.59Å; F821-Y870 HydrophobicContact CB-CD1 4.49Å; F821-Y870 HydrophobicContact CB-CG 4.18Å; F821-Y870 HydrophobicContact CG-CG 4.32Å; S831-Y870 VanDerWaalsContact CB-O 3.31Å; S831-Y870 WeakPolarHBondContact CB-O 3.33Å; S831-Y870 PolarHBondContact OG-N 2.66Å; S831-Y870 PolarHBondContact OG-O 3.4Å; Y870-H872 VanDerWaalsContact CE1-CA 3.48Å; Y870-H872 HydrophobicContact CE1-CB 3.86Å; Y870-H872 PolarHBondContact OH-ND1 3.44Å; Y870-A876 WeakPolarHBondContact CD2-O 3.39Å; Y870-I877 HydrophobicContact CD2-CG1 4.46Å
871	E	88.6	Confident	90.7	Very high	7 Å²	7	29.8 Å²	29.8	3%	0.033	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	111.5	173.9	-67.3	-159.6	134.9	0	0	111	L553 K561 K869 L873 Y874 K875 A876 V878 R880	L553-E871 WeakPolarHBondContact CD1-OE2 3.43Å; K561-E871 IonicContact NZ-OE1 3.33Å; K561-E871 PolarHBondContact NZ-OE1 2.84Å; K869-E871 WeakPolarHBondContact CE-OE1 3.32Å; K869-E871 HydrophobicContact CG-CG 4.06Å; K869-E871 IonicContact NZ-OE1 3.42Å; K869-E871 PolarHBondContact NZ-OE1 3.02Å; E871-L873 VanDerWaalsContact C-N 3.34Å; E871-L873 PolarHBondContact O-N 3.3Å; E871-Y874 HydrophobicContact CB-CD2 3.93Å; E871-Y874 PolarHBondContact O-N 2.82Å; E871-K875 PolarHBondContact O-N 3.21Å; E871-A876 PolarHBondContact N-O 3.3Å; E871-V878 HydrophobicContact CB-CG2 3.92Å; E871-V878 HydrophobicContact CG-CB 4.42Å; E871-V878 HydrophobicContact CG-CG2 4.23Å; E871-R880 IonicContact OE1-NH1 2.62Å; E871-R880 PolarHBondContact OE1-NH1 2.82Å; E871-R880 IonicContact OE2-CZ 2.63Å; E871-R880 IonicContact OE2-NH1 3.35Å; E871-R880 PolarHBondContact OE2-NH1 3.1Å; E871-R880 IonicContact OE2-NH2 3.4Å; E871-R880 PolarHBondContact OE2-NH2 2.97Å
872	H	85.5	Confident	90.9	Very high	110 Å²	110	34.5 Å²	34.5	51%	0.509	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-58.8	-37.3	-168.3	-172.1	41.4	0	0	0	114.9	Y870 Y874 K875	Y870-H872 VanDerWaalsContact CE1-CA 3.48Å; Y870-H872 HydrophobicContact CE1-CB 3.86Å; Y870-H872 PolarHBondContact OH-ND1 3.44Å; H872-Y874 VanDerWaalsContact C-N 3.28Å; H872-Y874 PolarHBondContact O-N 3.5Å; H872-K875 WeakPolarHBondContact O-CG 3.38Å; H872-K875 PolarHBondContact O-N 2.87Å
873	L	86.2	Confident	90.8	Very high	48 Å²	48	35.3 Å²	35.3	25%	0.251	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-61	-35.5	176.1	-74.8	174.1	0	0	0	113.5	L553 K561 L617 E871 K875	L553-L873 HydrophobicContact CD2-CD1 3.39Å; K561-L873 HydrophobicContact CB-CD1 3.51Å; K561-L873 HydrophobicContact CB-CG 4.3Å; L617-L873 HydrophobicContact CD2-CD2 4.15Å; E871-L873 VanDerWaalsContact C-N 3.34Å; E871-L873 PolarHBondContact O-N 3.3Å; L873-K875 VanDerWaalsContact C-N 3.3Å
874	Y	86.9	Confident	90.7	Very high	39 Å²	39	35.4 Å²	35.4	15%	0.153	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-83.1	-9.7	176.7	-70.4	-71.7	0	0	0	112.7	L553 H563 E808 E871 H872 A876 V878	L553-Y874 HydrophobicContact CD1-CD2 4.15Å; L553-Y874 HydrophobicContact CD1-CE2 3.59Å; L553-Y874 HydrophobicContact CG-CE2 4.28Å; H563-Y874 AromaticContact CE1-CE1 3.76Å; H563-Y874 AromaticContact CE1-CZ 3.8Å; E808-Y874 VanDerWaalsContact OE1-CZ 3.23Å; E808-Y874 PolarHBondContact OE1-OH 2.85Å; E871-Y874 HydrophobicContact CB-CD2 3.93Å; E871-Y874 PolarHBondContact O-N 2.82Å; H872-Y874 VanDerWaalsContact C-N 3.28Å; H872-Y874 PolarHBondContact O-N 3.5Å; Y874-A876 WeakPolarHBondContact O-CB 3.48Å; Y874-A876 PolarHBondContact O-N 3.35Å; Y874-A876 VanDerWaalsContact O-N 3.15Å; Y874-V878 HydrophobicContact CD2-CG2 3.65Å; Y874-V878 HydrophobicContact CE2-CG2 4.23Å; Y874-V878 HydrophobicContact CG-CG2 4.09Å
875	K	88.4	Confident	90.5	Very high	102 Å²	102	35.5 Å²	35.5	44%	0.443	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	36.1	-168.1	-56.2	-175.3	178.3	-164.8	0	112.7	F813 E815 E871 H872 L873	F813-K875 PolarHBondContact N-O 3.32Å; E815-K875 VanDerWaalsContact OE1-CD 3.26Å; E815-K875 WeakPolarHBondContact OE1-CD 3.31Å; E815-K875 WeakPolarHBondContact OE1-CE 3.29Å; E815-K875 IonicContact OE1-NZ 2.94Å; E815-K875 PolarHBondContact OE1-NZ 2.89Å; E871-K875 PolarHBondContact O-N 3.21Å; H872-K875 WeakPolarHBondContact O-CG 3.38Å; H872-K875 PolarHBondContact O-N 2.87Å; L873-K875 VanDerWaalsContact C-N 3.3Å
876	A	92.4	Very high	89.9	Confident	2 Å²	2	40 Å²	40	2%	0.017	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	154.8	-166.6	0	0	0	0	0	113	N810 I811 Y870 E871 Y874 V878	N810-A876 HydrophobicContact CB-CB 4.15Å; I811-A876 CarbonylContact O-C 3.57Å; I811-A876 WeakPolarHBondContact O-CA 3.43Å; I811-A876 VanDerWaalsContact O-CB 3.24Å; I811-A876 WeakPolarHBondContact O-CB 3.31Å; Y870-A876 WeakPolarHBondContact CD2-O 3.39Å; E871-A876 PolarHBondContact N-O 3.3Å; Y874-A876 WeakPolarHBondContact O-CB 3.48Å; Y874-A876 PolarHBondContact O-N 3.35Å; Y874-A876 VanDerWaalsContact O-N 3.15Å; A876-V878 HydrophobicContact CB-CG2 4.4Å; A876-V878 PolarHBondContact O-N 3.41Å
877	I	93.5	Very high	89.2	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	116.1	158.8	-61.9	177.3	0	0	0	107.1	M783 I811 F813 F821 L861 A868 Y870 L897 C899	M783-I877 HydrophobicContact CE-CD1 4.24Å; M783-I877 HydrophobicContact SD-CD1 3.99Å; I811-I877 PolarHBondContact N-O 2.92Å; I811-I877 PolarHBondContact O-N 2.82Å; F813-I877 HydrophobicContact CB-CG1 4.49Å; F813-I877 HydrophobicContact CD2-CD1 3.47Å; F813-I877 VanDerWaalsContact CD2-CD1 3.47Å; F813-I877 HydrophobicContact CD2-CG1 3.85Å; F813-I877 HydrophobicContact CE2-CD1 3.56Å; F813-I877 HydrophobicContact CE2-CG1 4.43Å; F813-I877 HydrophobicContact CG-CD1 4.26Å; F813-I877 HydrophobicContact CG-CG1 4.29Å; F813-I877 HydrophobicContact CZ-CD1 4.41Å; F821-I877 HydrophobicContact CE1-CD1 3.93Å; F821-I877 HydrophobicContact CE1-CG1 4.39Å; F821-I877 HydrophobicContact CZ-CD1 3.71Å; F821-I877 HydrophobicContact CZ-CG1 4.33Å; L861-I877 HydrophobicContact CD1-CD1 4.24Å; L861-I877 HydrophobicContact CD1-CG2 4.13Å; L861-I877 HydrophobicContact CD2-CG2 4.43Å; A868-I877 HydrophobicContact CB-CG2 4.19Å; Y870-I877 HydrophobicContact CD2-CG1 4.46Å; I877-L897 HydrophobicContact CG2-CD2 4.46Å; I877-C899 HydrophobicContact CD1-CB 4.18Å
878	V	94.2	Very high	88	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	108.7	-177.2	-176.3	0	0	0	0	109.7	E808 I809 N810 A868 K869 E871 Y874 A876 R880	E808-V878 HydrophobicContact CG-CG1 3.62Å; I809-V878 WeakPolarHBondContact O-CA 3.39Å; N810-V878 VanDerWaalsContact OD1-CG1 3.22Å; N810-V878 WeakPolarHBondContact OD1-CG1 3.45Å; N810-V878 WeakPolarHBondContact OD1-CG2 3.29Å; A868-V878 WeakPolarHBondContact CA-O 3.33Å; K869-V878 PolarHBondContact N-O 2.63Å; K869-V878 PolarHBondContact O-N 2.83Å; E871-V878 HydrophobicContact CB-CG2 3.92Å; E871-V878 HydrophobicContact CG-CB 4.42Å; E871-V878 HydrophobicContact CG-CG2 4.23Å; Y874-V878 HydrophobicContact CD2-CG2 3.65Å; Y874-V878 HydrophobicContact CE2-CG2 4.23Å; Y874-V878 HydrophobicContact CG-CG2 4.09Å; A876-V878 HydrophobicContact CB-CG2 4.4Å; A876-V878 PolarHBondContact O-N 3.41Å; V878-R880 HydrophobicContact CG1-CG 4.06Å; V878-R880 VanDerWaalsContact CG1-CZ 3.42Å
879	W	96.2	Very high	86.8	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	113.4	177	-172.7	21.9	0	0	0	110.4	L787 E808 I809 I865 A868 I881 H895 L897	L787-W879 HydrophobicContact CB-CH2 3.9Å; L787-W879 HydrophobicContact CB-CZ3 3.9Å; L787-W879 HydrophobicContact CD1-CH2 4.07Å; L787-W879 HydrophobicContact CD1-CZ3 3.94Å; E808-W879 WeakPolarHBondContact CA-O 3.44Å; I809-W879 HydrophobicContact CB-CB 4.37Å; I809-W879 HydrophobicContact CD1-CE3 4.01Å; I809-W879 HydrophobicContact CD1-CZ3 4.32Å; I809-W879 PolarHBondContact N-O 2.8Å; I809-W879 PolarHBondContact O-N 2.84Å; I865-W879 HydrophobicContact CG1-CZ2 4.15Å; I865-W879 PolarHBondContact O-NE1 2.84Å; A868-W879 HydrophobicContact CB-CB 3.99Å; A868-W879 HydrophobicContact CB-CG 4.12Å; W879-I881 HydrophobicContact CD2-CD1 4.05Å; W879-I881 HydrophobicContact CD2-CG1 4.33Å; W879-I881 HydrophobicContact CE3-CD1 4.44Å; W879-I881 HydrophobicContact CG-CG1 4.44Å; W879-I881 HydrophobicContact CH2-CD1 4.1Å; W879-I881 HydrophobicContact CZ2-CD1 3.66Å; W879-I881 HydrophobicContact CZ2-CG1 4.4Å; W879-I881 HydrophobicContact CZ3-CD1 4.46Å; W879-H895 HydrophobicContact CH2-CB 4.12Å; W879-H895 HydrophobicContact CZ2-CB 4.46Å; W879-L897 HydrophobicContact CB-CD2 3.87Å; W879-L897 HydrophobicContact CD2-CB 4.01Å; W879-L897 HydrophobicContact CD2-CD2 3.98Å; W879-L897 HydrophobicContact CE3-CB 3.87Å; W879-L897 HydrophobicContact CE3-CD2 3.98Å; W879-L897 HydrophobicContact CG-CD2 3.96Å; W879-L897 HydrophobicContact CH2-CB 4.19Å; W879-L897 HydrophobicContact CZ2-CB 4.31Å; W879-L897 HydrophobicContact CZ3-CB 3.97Å
880	R	95.1	Very high	85.4	Confident	63 Å²	63	50.5 Å²	50.5	24%	0.238	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	128.3	-179.8	-66.7	-172.9	173.1	90.1	1	111.5	V807 E808 G866 V867 E871 V878	V807-R880 CarbonylContact O-C 3.56Å; V807-R880 VanDerWaalsContact O-CA 3.32Å; V807-R880 WeakPolarHBondContact O-CA 3.36Å; E808-R880 VanDerWaalsContact CD-NH2 3.29Å; E808-R880 HydrophobicContact CG-CG 4.32Å; E808-R880 IonicContact OE1-CZ 3.82Å; E808-R880 IonicContact OE1-NE 3.99Å; E808-R880 IonicContact OE1-NH2 3.83Å; E808-R880 PolarHBondContact OE1-NH2 2.8Å; E808-R880 IonicContact OE2-CZ 2.7Å; E808-R880 VanDerWaalsContact OE2-CZ 3.26Å; E808-R880 IonicContact OE2-NE 2.76Å; E808-R880 PolarHBondContact OE2-NE 2.84Å; E808-R880 IonicContact OE2-NH2 3.43Å; E808-R880 PolarHBondContact OE2-NH2 3.42Å; E808-R880 VanDerWaalsContact OE2-NH2 3.12Å; G866-R880 CarbonylContact C-O 3.55Å; G866-R880 VanDerWaalsContact CA-O 3.24Å; G866-R880 WeakPolarHBondContact CA-O 3.28Å; V867-R880 PolarHBondContact N-O 2.9Å; V867-R880 PolarHBondContact O-N 3.48Å; E871-R880 IonicContact OE1-NH1 2.62Å; E871-R880 PolarHBondContact OE1-NH1 2.82Å; E871-R880 IonicContact OE2-CZ 2.63Å; E871-R880 IonicContact OE2-NH1 3.35Å; E871-R880 PolarHBondContact OE2-NH1 3.1Å; E871-R880 IonicContact OE2-NH2 3.4Å; E871-R880 PolarHBondContact OE2-NH2 2.97Å; V878-R880 HydrophobicContact CG1-CG 4.06Å; V878-R880 VanDerWaalsContact CG1-CZ 3.42Å
881	I	94	Very high	84.3	Confident	4 Å²	4	51.9 Å²	51.9	2%	0.021	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	116.8	-180	-37.9	174	0	0	0	108.7	L787 V807 I865 W879 R883 V884	L787-I881 HydrophobicContact CD1-CD1 3.58Å; V807-I881 HydrophobicContact CB-CB 4.06Å; V807-I881 HydrophobicContact CB-CG1 4.43Å; V807-I881 HydrophobicContact CG1-CD1 4.43Å; V807-I881 PolarHBondContact N-O 3.46Å; V807-I881 PolarHBondContact O-N 3.33Å; I865-I881 HydrophobicContact CD1-CD1 4.1Å; I865-I881 HydrophobicContact CD1-CG2 3.57Å; I865-I881 HydrophobicContact CG1-CD1 4.21Å; I865-I881 HydrophobicContact CG1-CG2 3.99Å; W879-I881 HydrophobicContact CD2-CD1 4.05Å; W879-I881 HydrophobicContact CD2-CG1 4.33Å; W879-I881 HydrophobicContact CE3-CD1 4.44Å; W879-I881 HydrophobicContact CG-CG1 4.44Å; W879-I881 HydrophobicContact CH2-CD1 4.1Å; W879-I881 HydrophobicContact CZ2-CD1 3.66Å; W879-I881 HydrophobicContact CZ2-CG1 4.4Å; W879-I881 HydrophobicContact CZ3-CD1 4.46Å; I881-R883 VanDerWaalsContact C-N 3.32Å; I881-R883 PolarHBondContact O-N 3.36Å; I881-V884 HydrophobicContact CB-CG2 4.07Å; I881-V884 HydrophobicContact CD1-CG2 4.17Å; I881-V884 HydrophobicContact CG2-CG2 3.41Å; I881-V884 VanDerWaalsContact CG2-CG2 3.41Å
882	P	91.6	Very high	83.5	Confident	100 Å²	100	57 Å²	57	65%	0.649	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.5	-39.6	-176.6	-26.1	34.9	0	0	0	113.4	E805 K806	E805-P882 WeakPolarHBondContact CA-O 3.14Å; K806-P882 PolarHBondContact N-O 3.36Å
883	R	88.6	Confident	83.3	Confident	64 Å²	64	56.1 Å²	56.1	24%	0.242	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	136	-175.3	-177.9	170.4	170.2	129.5	-4.5	111.6	P803 C804 E805 I881	P803-R883 HydrophobicContact CB-CG 3.92Å; C804-R883 CarbonylContact O-C 3.6Å; C804-R883 VanDerWaalsContact O-CA 3.29Å; C804-R883 WeakPolarHBondContact O-CA 3.04Å; E805-R883 HydrophobicContact CG-CB 4.37Å; E805-R883 HydrophobicContact CG-CG 4.1Å; E805-R883 IonicContact OE1-CZ 3.89Å; E805-R883 IonicContact OE1-NE 3.46Å; E805-R883 IonicContact OE1-NH1 3.91Å; E805-R883 PolarHBondContact OE1-NH1 3.2Å; I881-R883 VanDerWaalsContact C-N 3.32Å; I881-R883 PolarHBondContact O-N 3.36Å
884	V	88	Confident	83.4	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.006	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	131.9	174.3	-170.9	0	0	0	0	109.7	L787 V789 P803 C804 I865 I881	L787-V884 HydrophobicContact CD2-CG1 4.13Å; V789-V884 HydrophobicContact CB-CG1 4.28Å; V789-V884 HydrophobicContact CG2-CB 4.24Å; V789-V884 HydrophobicContact CG2-CG1 3.69Å; P803-V884 CarbonylContact C-O 3.44Å; P803-V884 WeakPolarHBondContact CA-O 3.29Å; C804-V884 PolarHBondContact N-O 2.74Å; C804-V884 PolarHBondContact O-N 2.62Å; I865-V884 HydrophobicContact CD1-CG1 4.44Å; I865-V884 HydrophobicContact CD1-CG2 3.66Å; I881-V884 HydrophobicContact CB-CG2 4.07Å; I881-V884 HydrophobicContact CD1-CG2 4.17Å; I881-V884 HydrophobicContact CG2-CG2 3.41Å; I881-V884 VanDerWaalsContact CG2-CG2 3.41Å
885	P	83.7	Confident	83.6	Confident	18 Å²	18	56.2 Å²	56.2	12%	0.117	30%	0.296	C	S	.	.	S	Bend	cis	-66.1	155.8	-11.1	29.2	-35.4	0	0	0	112	E889	P885-E889 HydrophobicContact CB-CB 4.41Å
886	E	78.1	Confident	83.8	Confident	118 Å²	118	53 Å²	53	55%	0.551	28%	0.283	S	S	*	.			trans	-68.7	156.7	173.9	-159.6	171.9	-138.8	0	0	111.2	S888 E889	E886-S888 PolarHBondContact O-N 2.96Å; E886-E889 HydrophobicContact CB-CB 4.02Å; E886-E889 PolarHBondContact N-OE2 2.73Å; E886-E889 WeakPolarHBondContact O-CB 3.29Å; E886-E889 PolarHBondContact O-N 2.94Å
887	K	74.3	Confident	83.9	Confident	150 Å²	150	52.9 Å²	52.9	65%	0.652	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-17.9	-169	-53.4	-173.8	-166.3	-165.9	0	115.3
888	S	67	Low	83.8	Confident	113 Å²	113	53.5 Å²	53.5	79%	0.79	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.6	10.3	180	51.4	0	0	0	0	113.1	E886	E886-S888 PolarHBondContact O-N 2.96Å
889	E	68.3	Low	83.7	Confident	34 Å²	34	53.6 Å²	53.6	16%	0.159	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-97.9	145.5	-175.7	-174.7	153.7	-128.3	0	0	111.3	P885 E886 R893 H895	P885-E889 HydrophobicContact CB-CB 4.41Å; E886-E889 HydrophobicContact CB-CB 4.02Å; E886-E889 PolarHBondContact N-OE2 2.73Å; E886-E889 WeakPolarHBondContact O-CB 3.29Å; E886-E889 PolarHBondContact O-N 2.94Å; E889-R893 HydrophobicContact CG-CB 4.28Å; E889-R893 WeakPolarHBondContact OE1-CD 3.32Å; E889-R893 IonicContact OE1-CZ 2.73Å; E889-R893 IonicContact OE1-NE 3.36Å; E889-R893 IonicContact OE1-NH1 3.52Å; E889-R893 PolarHBondContact OE1-NH1 3.31Å; E889-H895 IonicContact OE1-CE1 3.42Å; E889-H895 PolarHBondContact OE1-CE1 3.26Å; E889-H895 IonicContact OE2-CE1 2.99Å; E889-H895 PolarHBondContact OE2-CE1 2.83Å; E889-H895 IonicContact OE2-NE2 3.57Å
890	A	62.1	Low	83.5	Confident	74 Å²	74	57 Å²	57	61%	0.612	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-74.7	138.2	172.1	0	0	0	0	0	109.8
891	S	67	Low	83.2	Confident	42 Å²	42	54.3 Å²	54.3	29%	0.294	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	157.3	165.2	-53.8	0	0	0	0	111	R893	S891-R893 PolarHBondContact O-N 3.34Å
892	F	72.2	Confident	82.8	Confident	114 Å²	114	58.4 Å²	58.4	50%	0.5	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	9	-177.2	-49.1	-88.3	0	0	0	116.6	L788 V789 P790 Y792 P894	L788-F892 WeakPolarHBondContact CD1-O 3.32Å; V789-F892 PolarHBondContact O-N 3.36Å; P790-F892 HydrophobicContact CB-CD1 4.21Å; P790-F892 HydrophobicContact CB-CE1 3.85Å; P790-F892 WeakPolarHBondContact O-CE1 3.3Å; P790-F892 WeakPolarHBondContact O-CZ 3.21Å; Y792-F892 HydrophobicContact CD2-CE2 4.35Å; Y792-F892 AromaticContact CD2-CZ 3.91Å; Y792-F892 HydrophobicContact CD2-CZ 3.91Å; Y792-F892 AromaticContact CE2-CE2 3.86Å; Y792-F892 HydrophobicContact CE2-CE2 3.86Å; Y792-F892 AromaticContact CE2-CZ 3.82Å; Y792-F892 HydrophobicContact CE2-CZ 3.82Å; F892-P894 VanDerWaalsContact O-CD 3.27Å; F892-P894 WeakPolarHBondContact O-CD 3.38Å
893	R	81.8	Confident	82.5	Confident	92 Å²	92	54 Å²	54	35%	0.347	29%	0.291	S	S	.	.			trans	-68.7	122.1	168.6	176.1	147.3	171.4	-129.6	-2.5	109.7	E889 S891 H895	E889-R893 HydrophobicContact CG-CB 4.28Å; E889-R893 WeakPolarHBondContact OE1-CD 3.32Å; E889-R893 IonicContact OE1-CZ 2.73Å; E889-R893 IonicContact OE1-NE 3.36Å; E889-R893 IonicContact OE1-NH1 3.52Å; E889-R893 PolarHBondContact OE1-NH1 3.31Å; S891-R893 PolarHBondContact O-N 3.34Å; R893-H895 PolarHBondContact O-CD2 3.27Å
894	P	87.4	Confident	82.2	Confident	86 Å²	86	52 Å²	52	56%	0.558	29%	0.288	S	S	*	.			trans	-73.8	143.6	171.2	30.8	-34.3	0	0	0	110.3	L788 F892	L788-P894 HydrophobicContact CD1-CB 4.49Å; F892-P894 VanDerWaalsContact O-CD 3.27Å; F892-P894 WeakPolarHBondContact O-CD 3.38Å
895	H	91	Very high	81.8	Confident	3 Å²	3	56.8 Å²	56.8	1%	0.014	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	145.7	175.6	-61.1	-64.9	0	0	0	109.4	D786 L787 S864 I865 W879 E889 R893	D786-H895 CarbonylContact C-O 3.59Å; D786-H895 WeakPolarHBondContact CA-O 3.29Å; L787-H895 HydrophobicContact CB-CB 4.28Å; L787-H895 HydrophobicContact CD2-CB 4.28Å; L787-H895 PolarHBondContact N-O 3.27Å; L787-H895 PolarHBondContact O-N 2.72Å; S864-H895 VanDerWaalsContact OG-CA 3.31Å; S864-H895 WeakPolarHBondContact OG-CA 3.31Å; S864-H895 WeakPolarHBondContact OG-CB 2.94Å; I865-H895 HydrophobicContact CD1-CB 4.11Å; I865-H895 VanDerWaalsContact CD1-CG 3.47Å; I865-H895 WeakPolarHBondContact CD1-ND1 3.42Å; I865-H895 HydrophobicContact CG1-CB 4.09Å; W879-H895 HydrophobicContact CH2-CB 4.12Å; W879-H895 HydrophobicContact CZ2-CB 4.46Å; E889-H895 IonicContact OE1-CE1 3.42Å; E889-H895 PolarHBondContact OE1-CE1 3.26Å; E889-H895 IonicContact OE2-CE1 2.99Å; E889-H895 PolarHBondContact OE2-CE1 2.83Å; E889-H895 IonicContact OE2-NE2 3.57Å; R893-H895 PolarHBondContact O-CD2 3.27Å
896	L	92.9	Very high	81.7	Confident	35 Å²	35	62.9 Å²	62.9	18%	0.183	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	126.4	-168.8	-178.9	55.9	0	0	0	111.1	R784 C785 D786 S864 T898	R784-L896 HydrophobicContact CG-CD1 3.59Å; C785-L896 WeakPolarHBondContact O-CA 3.32Å; C785-L896 WeakPolarHBondContact O-CD1 3.23Å; D786-L896 WeakPolarHBondContact OD1-CD1 3.42Å; S864-L896 PolarHBondContact N-O 2.82Å; S864-L896 PolarHBondContact OG-N 2.97Å; S864-L896 PolarHBondContact OG-O 3.2Å; L896-T898 HydrophobicContact CD1-CG2 4.09Å; L896-T898 HydrophobicContact CD2-CG2 4.25Å; L896-T898 HydrophobicContact CG-CG2 4.04Å
897	L	94.1	Very high	81.9	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129.5	166.2	170.6	71.4	0	0	0	108.4	M783 C785 I811 L861 E862 A863 A868 I877 W879	M783-L897 HydrophobicContact CE-CD2 3.94Å; M783-L897 HydrophobicContact CE-CG 3.96Å; C785-L897 HydrophobicContact CB-CB 4.17Å; C785-L897 HydrophobicContact CB-CD2 4.42Å; C785-L897 PolarHBondContact N-O 2.83Å; C785-L897 PolarHBondContact O-N 3.04Å; I811-L897 HydrophobicContact CD1-CD2 3.81Å; L861-L897 HydrophobicContact CD1-CD1 3.86Å; L861-L897 HydrophobicContact CG-CD1 4.44Å; E862-L897 CarbonylContact O-C 3.49Å; E862-L897 WeakPolarHBondContact O-CA 3.25Å; A863-L897 HydrophobicContact CB-CD1 3.94Å; A868-L897 HydrophobicContact CB-CD1 3.53Å; A868-L897 HydrophobicContact CB-CD2 4.15Å; I877-L897 HydrophobicContact CG2-CD2 4.46Å; W879-L897 HydrophobicContact CB-CD2 3.87Å; W879-L897 HydrophobicContact CD2-CB 4.01Å; W879-L897 HydrophobicContact CD2-CD2 3.98Å; W879-L897 HydrophobicContact CE3-CB 3.87Å; W879-L897 HydrophobicContact CE3-CD2 3.98Å; W879-L897 HydrophobicContact CG-CD2 3.96Å; W879-L897 HydrophobicContact CH2-CB 4.19Å; W879-L897 HydrophobicContact CZ2-CB 4.31Å; W879-L897 HydrophobicContact CZ3-CB 3.97Å
898	T	93	Very high	82.3	Confident	13 Å²	13	55.6 Å²	55.6	8%	0.08	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	140.2	171.5	53.8	0	0	0	0	111	M783 R784 R837 E862 L896	M783-T898 CarbonylContact O-C 3.58Å; M783-T898 VanDerWaalsContact O-CA 3.26Å; M783-T898 WeakPolarHBondContact O-CA 3.39Å; R784-T898 HydrophobicContact CG-CG2 4.43Å; R837-T898 PolarHBondContact NH1-OG1 3.22Å; R837-T898 PolarHBondContact NH2-OG1 3.21Å; E862-T898 PolarHBondContact N-O 3.37Å; E862-T898 PolarHBondContact O-N 2.91Å; L896-T898 HydrophobicContact CD1-CG2 4.09Å; L896-T898 HydrophobicContact CD2-CG2 4.25Å; L896-T898 HydrophobicContact CG-CG2 4.04Å
899	C	92	Very high	82.9	Confident	1 Å²	1	53 Å²	53	1%	0.007	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	126.2	165.8	-175.2	0	0	0	0	109.9	S782 M783 F821 M860 L861 I877	S782-C899 WeakPolarHBondContact CA-O 3.02Å; M783-C899 HydrophobicContact CB-CB 4.16Å; M783-C899 HydrophobicContact CE-CB 3.68Å; M783-C899 PolarHBondContact N-O 3.03Å; M783-C899 PolarHBondContact O-N 3.02Å; M783-C899 HydrophobicContact SD-CB 4.32Å; F821-C899 VanDerWaalsContact CZ-SG 3.6Å; M860-C899 CarbonylContact O-C 3.05Å; M860-C899 WeakPolarHBondContact O-CA 3.4Å; M860-C899 PolarHBondContact O-SG 3.31Å; L861-C899 HydrophobicContact CD1-CB 3.75Å; I877-C899 HydrophobicContact CD1-CB 4.18Å
900	N	91	Very high	83.4	Confident	72 Å²	72	52 Å²	52	39%	0.385	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	115.1	-179.9	-63.8	-54.2	0	0	0	109.1	M860	M860-N900 PolarHBondContact O-N 3.45Å
901	L	88.1	Confident	84.1	Confident	7 Å²	7	55.6 Å²	55.6	4%	0.037	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	145.9	174.1	-67	175.2	0	0	0	110.8	V781 F813 W817 H820 F821 M860	V781-L901 HydrophobicContact CB-CB 4.29Å; V781-L901 PolarHBondContact N-O 2.83Å; V781-L901 PolarHBondContact O-N 2.81Å; F813-L901 HydrophobicContact CE1-CD1 3.59Å; F813-L901 HydrophobicContact CZ-CD1 3.54Å; W817-L901 HydrophobicContact CB-CD1 4.32Å; H820-L901 HydrophobicContact CB-CD2 3.77Å; F821-L901 HydrophobicContact CE2-CD1 4.37Å; M860-L901 HydrophobicContact CG-CD2 3.56Å; M860-L901 HydrophobicContact SD-CD2 3.78Å
902	V	86.4	Confident	84.3	Confident	90 Å²	90	61.4 Å²	61.4	55%	0.545	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	103.1	164.7	-177.1	0	0	0	0	106.4	R779	R779-V902 CarbonylContact O-C 3.58Å; R779-V902 WeakPolarHBondContact O-CA 3.37Å
903	L	84.9	Confident	84.4	Confident	6 Å²	6	65 Å²	65	3%	0.031	34%	0.336	C	S	.	.			trans	-62	136.4	-179.6	-63.7	-175.1	0	0	0	110.6	R779 V781 W817 D907 V909	R779-L903 HydrophobicContact CB-CB 4.28Å; R779-L903 WeakPolarHBondContact O-CB 3.38Å; R779-L903 PolarHBondContact O-N 2.99Å; V781-L903 HydrophobicContact CG2-CD1 3.73Å; V781-L903 HydrophobicContact CG2-CD2 4.34Å; V781-L903 HydrophobicContact CG2-CG 3.94Å; W817-L903 HydrophobicContact CD2-CD2 4.15Å; W817-L903 HydrophobicContact CG-CD2 4.04Å; W817-L903 HydrophobicContact CZ2-CD1 3.9Å; L903-D907 VanDerWaalsContact CA-OD2 3.29Å; L903-D907 WeakPolarHBondContact CA-OD2 3.47Å; L903-D907 HydrophobicContact CB-CB 3.81Å; L903-D907 HydrophobicContact CD2-CB 4.17Å; L903-D907 HydrophobicContact CG-CB 4.37Å; L903-V909 HydrophobicContact CD1-CG2 3.84Å
904	A	82.8	Confident	84.3	Confident	22 Å²	22	64.9 Å²	64.9	18%	0.182	35%	0.345	C	S	.	.			trans	-67.8	162.4	175.6	0	0	0	0	0	110.9	H906 D907	A904-H906 VanDerWaalsContact CB-CE1 3.42Å; A904-H906 WeakPolarHBondContact CB-CE1 3.24Å; A904-H906 PolarHBondContact O-N 3.43Å; A904-D907 PolarHBondContact N-OD2 2.82Å; A904-D907 WeakPolarHBondContact O-CB 3.48Å; A904-D907 PolarHBondContact O-N 2.81Å
905	P	80.2	Confident	84.1	Confident	102 Å²	102	61.8 Å²	61.8	66%	0.662	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-16.1	178.4	-24.2	34.9	0	0	0	115.2
906	H	80.9	Confident	84	Confident	146 Å²	146	65.1 Å²	65.1	68%	0.676	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-9.5	177.1	56.7	-102.7	0	0	0	113.8	A904 T908	A904-H906 VanDerWaalsContact CB-CE1 3.42Å; A904-H906 WeakPolarHBondContact CB-CE1 3.24Å; A904-H906 PolarHBondContact O-N 3.43Å; H906-T908 PolarHBondContact O-N 2.92Å
907	D	83.3	Confident	83.9	Confident	27 Å²	27	67 Å²	67	14%	0.144	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-73.5	124.3	177.7	-72.4	-12.6	0	0	0	109.6	Y819 H820 L903 A904	Y819-D907 WeakPolarHBondContact CE1-OD1 3Å; Y819-D907 VanDerWaalsContact OH-CG 3.27Å; Y819-D907 PolarHBondContact OH-OD1 3.34Å; Y819-D907 PolarHBondContact OH-OD2 3.14Å; H820-D907 IonicContact CE1-OD2 3.88Å; H820-D907 IonicContact NE2-OD2 3.17Å; H820-D907 PolarHBondContact NE2-OD2 2.94Å; L903-D907 VanDerWaalsContact CA-OD2 3.29Å; L903-D907 WeakPolarHBondContact CA-OD2 3.47Å; L903-D907 HydrophobicContact CB-CB 3.81Å; L903-D907 HydrophobicContact CD2-CB 4.17Å; L903-D907 HydrophobicContact CG-CB 4.37Å; A904-D907 PolarHBondContact N-OD2 2.82Å; A904-D907 WeakPolarHBondContact O-CB 3.48Å; A904-D907 PolarHBondContact O-N 2.81Å
908	T	81.3	Confident	83.9	Confident	88 Å²	88	71.6 Å²	71.6	54%	0.54	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-78.8	144.6	168.1	45.3	0	0	0	0	110.2	W817 H906	W817-T908 PolarHBondContact NE1-O 2.83Å; H906-T908 PolarHBondContact O-N 2.92Å
909	V	81.1	Confident	84	Confident	60 Å²	60	71 Å²	71	36%	0.364	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-84.8	123	159.3	178.4	0	0	0	0	106.1	I776 W817 L903	I776-V909 HydrophobicContact CD1-CG1 4.41Å; I776-V909 HydrophobicContact CG2-CG1 4.15Å; I776-V909 HydrophobicContact CG2-CG2 4.28Å; W817-V909 HydrophobicContact CZ2-CG1 4.35Å; W817-V909 HydrophobicContact CZ2-CG2 4.45Å; L903-V909 HydrophobicContact CD1-CG2 3.84Å
910	P	77.5	Confident	84.1	Confident	13 Å²	13	74 Å²	74	8%	0.084	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-60	155	179.7	-18.8	27.7	0	0	0	112.2	P814 W817 T914 L915	P814-P910 HydrophobicContact CB-CG 3.57Å; P814-P910 HydrophobicContact CG-CG 3.9Å; W817-P910 VanDerWaalsContact CZ2-CD 3.42Å; W817-P910 HydrophobicContact CZ2-CG 4.38Å; P910-T914 VanDerWaalsContact CB-OG1 3.32Å; P910-T914 WeakPolarHBondContact CB-OG1 3.48Å; P910-L915 HydrophobicContact CB-CD2 4.05Å; P910-L915 HydrophobicContact CG-CD2 4.23Å
911	E	76.6	Confident	84.3	Confident	149 Å²	149	70.6 Å²	70.6	70%	0.696	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-70.8	144.4	174.4	-63.2	-173.2	164.7	0	0	110.5	E913 T914	E911-E913 PolarHBondContact O-N 2.79Å; E911-E913 VanDerWaalsContact O-N 3.09Å; E911-T914 HydrophobicContact CB-CG2 4.47Å; E911-T914 WeakPolarHBondContact O-CB 3.38Å; E911-T914 PolarHBondContact O-N 2.83Å; E911-T914 PolarHBondContact O-OG1 2.88Å
912	W	71.7	Confident	84.7	Confident	164 Å²	164	72.2 Å²	72.2	62%	0.621	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-51.8	-38.3	-173	-52	86.4	0	0	0	113.9	T914 L915 L966	W912-T914 PolarHBondContact O-N 2.87Å; W912-L915 WeakPolarHBondContact O-CB 3.48Å; W912-L915 PolarHBondContact O-N 2.82Å; W912-L915 VanDerWaalsContact O-N 3.13Å; W912-L966 HydrophobicContact CH2-CB 3.5Å; W912-L966 HydrophobicContact CH2-CD2 3.74Å; W912-L966 HydrophobicContact CH2-CG 4.18Å; W912-L966 HydrophobicContact CZ2-CB 4.12Å; W912-L966 HydrophobicContact CZ2-CD2 3.4Å; W912-L966 VanDerWaalsContact CZ2-CD2 3.4Å; W912-L966 HydrophobicContact CZ2-CG 4.31Å; W912-L966 HydrophobicContact CZ3-CB 4.33Å
913	E	74.6	Confident	85.1	Confident	190 Å²	190	68.2 Å²	68.2	89%	0.888	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-67.3	-18.4	-178.9	-60.1	178.4	-171.1	0	0	112.8	E911	E911-E913 PolarHBondContact O-N 2.79Å; E911-E913 VanDerWaalsContact O-N 3.09Å
914	T	80.1	Confident	85.5	Confident	88 Å²	88	68.4 Å²	68.4	54%	0.54	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-89	-14.2	175.5	71	0	0	0	0	113.3	P910 E911 W912	P910-T914 VanDerWaalsContact CB-OG1 3.32Å; P910-T914 WeakPolarHBondContact CB-OG1 3.48Å; E911-T914 HydrophobicContact CB-CG2 4.47Å; E911-T914 WeakPolarHBondContact O-CB 3.38Å; E911-T914 PolarHBondContact O-N 2.83Å; E911-T914 PolarHBondContact O-OG1 2.88Å; W912-T914 PolarHBondContact O-N 2.87Å
915	L	83.2	Confident	85.9	Confident	21 Å²	21	67.4 Å²	67.4	11%	0.11	34%	0.341	C	S	.	.	S	Bend	trans	-80.5	123.9	-179.5	-60.4	179	0	0	0	110.2	P814 P910 W912 P917 Y964	P814-L915 HydrophobicContact CG-CD2 3.69Å; P910-L915 HydrophobicContact CB-CD2 4.05Å; P910-L915 HydrophobicContact CG-CD2 4.23Å; W912-L915 WeakPolarHBondContact O-CB 3.48Å; W912-L915 PolarHBondContact O-N 2.82Å; W912-L915 VanDerWaalsContact O-N 3.13Å; L915-P917 WeakPolarHBondContact O-CD 3.36Å; L915-Y964 HydrophobicContact CD1-CD1 4.05Å; L915-Y964 HydrophobicContact CD1-CE1 3.92Å
916	I	88.5	Confident	86.3	Confident	74 Å²	74	63.5 Å²	63.5	38%	0.379	32%	0.315	S	S	.	.			trans	-66.5	117.3	176.2	-60.1	172.7	0	0	0	108.4	P812 Y918 Y964	P812-I916 HydrophobicContact CB-CB 3.81Å; P812-I916 HydrophobicContact CB-CD1 3.93Å; P812-I916 HydrophobicContact CB-CG1 4.36Å; P812-I916 HydrophobicContact CB-CG2 4.19Å; P812-I916 HydrophobicContact CG-CB 3.93Å; P812-I916 HydrophobicContact CG-CG2 4.1Å; I916-Y918 VanDerWaalsContact C-N 3.25Å; I916-Y918 HydrophobicContact CG2-CD1 4.47Å; I916-Y918 HydrophobicContact CG2-CD2 4.26Å; I916-Y918 HydrophobicContact CG2-CE1 4.24Å; I916-Y918 HydrophobicContact CG2-CE2 4Å; I916-Y918 HydrophobicContact CG2-CG 4.46Å; I916-Y918 PolarHBondContact O-N 3.33Å; I916-Y964 PolarHBondContact O-OH 2.88Å
917	P	90.7	Very high	86.5	Confident	75 Å²	75	58.6 Å²	58.6	49%	0.487	30%	0.297	S	S	.	.			trans	-78.3	-5.1	-167	30	-34.9	0	0	0	114.3	L915 D961 I962	L915-P917 WeakPolarHBondContact O-CD 3.36Å; P917-D961 CarbonylContact O-C 3.54Å; P917-D961 WeakPolarHBondContact O-CA 3.19Å; P917-I962 PolarHBondContact O-N 3.48Å
918	Y	93.5	Very high	86.6	Confident	96 Å²	96	57.4 Å²	57.4	38%	0.376	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	149.6	-176.2	58.1	-100.2	0	0	0	112.8	P812 I916 Q920 T959 M960	P812-Y918 WeakPolarHBondContact CG-O 3.4Å; I916-Y918 VanDerWaalsContact C-N 3.25Å; I916-Y918 HydrophobicContact CG2-CD1 4.47Å; I916-Y918 HydrophobicContact CG2-CD2 4.26Å; I916-Y918 HydrophobicContact CG2-CE1 4.24Å; I916-Y918 HydrophobicContact CG2-CE2 4Å; I916-Y918 HydrophobicContact CG2-CG 4.46Å; I916-Y918 PolarHBondContact O-N 3.33Å; Y918-Q920 HydrophobicContact CD2-CG 4.47Å; Y918-Q920 HydrophobicContact CE2-CG 4.42Å; Y918-T959 HydrophobicContact CD2-CG2 3.82Å; Y918-T959 HydrophobicContact CE2-CG2 4.26Å; Y918-T959 HydrophobicContact CG-CG2 4.39Å; Y918-M960 CarbonylContact C-O 3.55Å; Y918-M960 WeakPolarHBondContact CA-O 3.47Å; Y918-M960 WeakPolarHBondContact CB-O 3.19Å
919	C	94.8	Very high	87	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	156.7	164.6	71.5	0	0	0	0	110.5	V772 N810 T959 M960 I962	V772-C919 HydrophobicContact CG2-CB 4.42Å; N810-C919 WeakPolarHBondContact O-CA 3.31Å; N810-C919 WeakPolarHBondContact O-CB 3.33Å; C919-T959 VanDerWaalsContact O-CA 3.24Å; C919-T959 WeakPolarHBondContact O-CA 3.36Å; C919-M960 PolarHBondContact N-O 3.37Å; C919-M960 PolarHBondContact O-N 3.37Å; C919-I962 HydrophobicContact CB-CD1 4.21Å; C919-I962 HydrophobicContact CB-CG1 4.31Å
920	Q	95.2	Very high	87.4	Confident	64 Å²	64	51.9 Å²	51.9	30%	0.299	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	134.1	174.7	-59.4	176.3	-15.9	0	0	109.8	N810 Y918 T959	N810-Q920 HydrophobicContact CB-CB 4.22Å; N810-Q920 PolarHBondContact N-O 2.91Å; N810-Q920 PolarHBondContact O-N 2.83Å; Y918-Q920 HydrophobicContact CD2-CG 4.47Å; Y918-Q920 HydrophobicContact CE2-CG 4.42Å; Q920-T959 HydrophobicContact CG-CG2 4.22Å
921	I	96	Very high	87.9	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	126.7	-175.2	-62.6	159	0	0	0	109.1	M768 V770 I809 Y923 K957 Y958 M960	M768-I921 HydrophobicContact CE-CG2 3.41Å; M768-I921 VanDerWaalsContact CE-CG2 3.41Å; V770-I921 HydrophobicContact CB-CD1 3.83Å; V770-I921 HydrophobicContact CG1-CD1 3.89Å; V770-I921 HydrophobicContact CG2-CD1 3.93Å; I809-I921 HydrophobicContact CG1-CG1 4.18Å; I809-I921 HydrophobicContact CG1-CG2 4.19Å; I809-I921 HydrophobicContact CG2-CG1 4.08Å; I921-Y923 HydrophobicContact CG2-CD1 4.28Å; I921-Y923 HydrophobicContact CG2-CE1 4.49Å; I921-K957 WeakPolarHBondContact O-CA 3.33Å; I921-Y958 HydrophobicContact CB-CD2 4.16Å; I921-Y958 HydrophobicContact CB-CE1 4.29Å; I921-Y958 HydrophobicContact CB-CE2 3.85Å; I921-Y958 HydrophobicContact CD1-CD2 4.05Å; I921-Y958 HydrophobicContact CD1-CE2 3.45Å; I921-Y958 VanDerWaalsContact CD1-CE2 3.45Å; I921-Y958 HydrophobicContact CG1-CE2 4.26Å; I921-Y958 HydrophobicContact CG2-CE1 3.85Å; I921-Y958 HydrophobicContact CG2-CE2 3.94Å; I921-Y958 VanDerWaalsContact CG2-CZ 3.49Å; I921-Y958 PolarHBondContact N-O 3.49Å; I921-Y958 PolarHBondContact O-N 2.88Å; I921-M960 HydrophobicContact CD1-CB 3.98Å
922	E	95.3	Very high	88.4	Confident	42 Å²	42	44.9 Å²	44.9	20%	0.196	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	136.8	178.9	-68.3	-177.7	-170.6	0	0	111.5	R623 V807 E808 Y956 K957	R623-E922 IonicContact CZ-OE1 2.74Å; R623-E922 IonicContact CZ-OE2 3.54Å; R623-E922 IonicContact NH1-OE1 3.65Å; R623-E922 PolarHBondContact NH1-OE1 3.17Å; R623-E922 IonicContact NH2-OE1 3.12Å; R623-E922 PolarHBondContact NH2-OE1 2.92Å; R623-E922 IonicContact NH2-OE2 3.73Å; R623-E922 PolarHBondContact NH2-OE2 2.78Å; V807-E922 CarbonylContact C-O 3.5Å; V807-E922 WeakPolarHBondContact CA-O 3.17Å; E808-E922 PolarHBondContact N-O 3.2Å; E808-E922 PolarHBondContact O-N 3.07Å; E922-Y956 WeakPolarHBondContact CA-O 3.47Å; E922-K957 HydrophobicContact CG-CB 3.97Å; E922-K957 HydrophobicContact CG-CG 3.9Å; E922-K957 WeakPolarHBondContact OE1-CG 3.41Å
923	Y	95	Very high	89.4	Confident	5 Å²	5	37.3 Å²	37.3	2%	0.02	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	169	170.9	60.7	-92.4	0	0	0	111.8	P767 M768 C804 I921 Y956 Y958	P767-Y923 HydrophobicContact CB-CE2 4.42Å; P767-Y923 WeakPolarHBondContact CD-OH 3.27Å; M768-Y923 HydrophobicContact CB-CE1 3.85Å; M768-Y923 HydrophobicContact CE-CD1 3.55Å; M768-Y923 HydrophobicContact CE-CE1 3.64Å; M768-Y923 HydrophobicContact SD-CD1 4.23Å; M768-Y923 HydrophobicContact SD-CE1 4.3Å; C804-Y923 HydrophobicContact CB-CD2 3.96Å; C804-Y923 HydrophobicContact CB-CE2 4.41Å; C804-Y923 HydrophobicContact CB-CG 4.41Å; I921-Y923 HydrophobicContact CG2-CD1 4.28Å; I921-Y923 HydrophobicContact CG2-CE1 4.49Å; Y923-Y956 AromaticContact CD2-CD2 3.77Å; Y923-Y956 HydrophobicContact CD2-CD2 3.77Å; Y923-Y956 HydrophobicContact CD2-CG 4.28Å; Y923-Y956 HydrophobicContact CE1-CG 4.29Å; Y923-Y956 HydrophobicContact CE2-CD1 4.47Å; Y923-Y956 AromaticContact CE2-CD2 3.16Å; Y923-Y956 HydrophobicContact CE2-CD2 3.16Å; Y923-Y956 AromaticContact CE2-CE2 3.72Å; Y923-Y956 HydrophobicContact CE2-CE2 3.72Å; Y923-Y956 AromaticContact CE2-CG 3.59Å; Y923-Y956 HydrophobicContact CE2-CG 3.59Å; Y923-Y956 AromaticContact CZ-CD2 3.68Å; Y923-Y956 AromaticContact CZ-CG 3.59Å; Y923-Y956 PolarHBondContact N-O 3.21Å; Y923-Y956 PolarHBondContact O-N 3.01Å; Y923-Y958 HydrophobicContact CD1-CE1 4.4Å; Y923-Y958 AromaticContact CE1-CE1 3.61Å; Y923-Y958 HydrophobicContact CE1-CE1 3.61Å
924	T	93.8	Very high	90.2	Very high	10 Å²	10	28.3 Å²	28.3	6%	0.061	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	147.1	174.1	55.2	0	0	0	0	111.2	E805 T954 K955	E805-T924 PolarHBondContact N-O 3.04Å; E805-T924 PolarHBondContact O-N 3.26Å; E805-T924 VanDerWaalsContact O-O 3.11Å; E805-T924 PolarHBondContact O-OG1 3.23Å; T924-T954 CarbonylContact C-O 3.58Å; T924-T954 WeakPolarHBondContact CA-O 3.35Å; T924-K955 HydrophobicContact CG2-CG 4.27Å
925	M	90.8	Very high	90.9	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	95.7	-174.9	-166.7	176	-177.2	0	0	109	P767 F793 V802 S928 T954 Y956	P767-M925 HydrophobicContact CB-CE 4.39Å; P767-M925 HydrophobicContact CB-SD 3.98Å; P767-M925 HydrophobicContact CG-SD 3.87Å; F793-M925 HydrophobicContact CB-CE 3.8Å; F793-M925 WeakPolarHBondContact O-CE 3.26Å; V802-M925 HydrophobicContact CB-CE 3.58Å; V802-M925 HydrophobicContact CG1-CE 3.52Å; V802-M925 HydrophobicContact CG1-CG 3.58Å; V802-M925 HydrophobicContact CG1-SD 4.45Å; M925-S928 WeakPolarHBondContact CB-OG 3.26Å; M925-S928 WeakPolarHBondContact CG-OG 3.43Å; M925-S928 PolarHBondContact O-OG 2.96Å; M925-T954 PolarHBondContact N-O 2.76Å; M925-T954 PolarHBondContact O-N 2.73Å; M925-Y956 HydrophobicContact CB-CD2 4.38Å; M925-Y956 HydrophobicContact CB-CE2 3.96Å; M925-Y956 HydrophobicContact SD-CE2 3.95Å
926	P	88.7	Confident	91.3	Very high	20 Å²	20	25.2 Å²	25.2	13%	0.13	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	150.8	-176.7	30.6	-36.7	0	0	0	111.2	V802 P803 E805 S928 L953	V802-P926 WeakPolarHBondContact CG1-O 3.44Å; P803-P926 HydrophobicContact CG-CG 4.42Å; E805-P926 HydrophobicContact CG-CG 4.5Å; P926-S928 PolarHBondContact O-N 3.24Å; P926-L953 HydrophobicContact CB-CD1 4.5Å
927	S	85.5	Confident	91.6	Very high	42 Å²	42	22 Å²	22	29%	0.294	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	28.8	177.9	-61.6	0	0	0	0	114.5	M714 Y952	M714-S927 VanDerWaalsContact CE-O 3.26Å; M714-S927 WeakPolarHBondContact CE-O 3.48Å; S927-Y952 PolarHBondContact N-O 2.91Å
928	S	85.5	Confident	91.7	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.021	10%	0.095	C	C	.	.			trans	-128.2	163.5	173.9	70.7	0	0	0	0	110.9	M925 P926 T954	M925-S928 WeakPolarHBondContact CB-OG 3.26Å; M925-S928 WeakPolarHBondContact CG-OG 3.43Å; M925-S928 PolarHBondContact O-OG 2.96Å; P926-S928 PolarHBondContact O-N 3.24Å; S928-T954 PolarHBondContact O-OG1 3Å; S928-T954 WeakPolarHBondContact OG-CB 3.32Å; S928-T954 PolarHBondContact OG-OG1 3.34Å
929	T	88.9	Confident	91.7	Very high	17 Å²	17	14.8 Å²	14.8	10%	0.104	8%	0.083	C	C	.	.			trans	-139.7	149.1	166.5	57.4	0	0	0	0	109.1	V655 D657 H715 Y952 T954	V655-T929 HydrophobicContact CG1-CG2 4.46Å; D657-T929 WeakPolarHBondContact OD2-CA 3.49Å; D657-T929 WeakPolarHBondContact OD2-CB 2.92Å; H715-T929 PolarHBondContact CD2-OG1 2.95Å; H715-T929 PolarHBondContact NE2-OG1 2.68Å; H715-T929 VanDerWaalsContact NE2-OG1 3.15Å; T929-Y952 HydrophobicContact CG2-CD1 3.53Å; T929-Y952 HydrophobicContact CG2-CE1 4.27Å; T929-Y952 HydrophobicContact CG2-CG 4.26Å; T929-T954 WeakPolarHBondContact CA-OG1 3.18Å
930	V	88.9	Confident	91.6	Very high	15 Å²	15	15 Å²	15	9%	0.091	8%	0.084	C	C	.	.	S	Bend	trans	-99.2	-30.8	173.1	162.7	0	0	0	0	111.3	D657 Y659 A674 L760 N763 G932 T954 Y956	D657-V930 PolarHBondContact OD2-N 2.75Å; Y659-V930 HydrophobicContact CD2-CG1 3.96Å; A674-V930 HydrophobicContact CB-CG1 4.22Å; L760-V930 HydrophobicContact CD1-CG1 4.29Å; L760-V930 HydrophobicContact CD2-CG1 3.74Å; N763-V930 PolarHBondContact ND2-O 3.49Å; V930-G932 VanDerWaalsContact C-N 3.32Å; V930-T954 HydrophobicContact CB-CG2 4.32Å; V930-T954 HydrophobicContact CG2-CG2 3.56Å; V930-Y956 HydrophobicContact CG2-CE1 3.61Å; V930-Y956 HydrophobicContact CG2-CE2 4.32Å; V930-Y956 WeakPolarHBondContact CG2-OH 3.46Å
931	S	88.7	Confident	91.1	Very high	9 Å²	9	15.4 Å²	15.4	6%	0.063	9%	0.086	C	C	.	.	S	Bend	trans	-76	-16	178	59.8	0	0	0	0	114.3	D657 T676 I719 A933	D657-S931 VanDerWaalsContact CG-OG 3.28Å; D657-S931 PolarHBondContact OD1-OG 3.05Å; D657-S931 VanDerWaalsContact OD1-OG 3.08Å; D657-S931 WeakPolarHBondContact OD2-CB 3.29Å; D657-S931 PolarHBondContact OD2-N 3.05Å; D657-S931 PolarHBondContact OD2-OG 3.05Å; T676-S931 WeakPolarHBondContact OG1-CB 3.42Å; T676-S931 PolarHBondContact OG1-OG 3.33Å; T676-S931 VanDerWaalsContact OG1-OG 3.12Å; I719-S931 WeakPolarHBondContact CG2-O 3.29Å; S931-A933 PolarHBondContact O-N 3.35Å; S931-A933 WeakPolarHBondContact OG-CB 3.16Å; S931-A933 PolarHBondContact OG-N 2.81Å
932	G	88.1	Confident	89.9	Confident	6 Å²	6	23.3 Å²	23.3	6%	0.062	12%	0.122	C	C	.	.			trans	73	3	-166.1	0	0	0	0	0	114.4	N695 V930 T934	N695-G932 PolarHBondContact ND2-O 3Å; V930-G932 VanDerWaalsContact C-N 3.32Å; G932-T934 PolarHBondContact O-N 3.17Å
933	A	91.9	Very high	88.5	Confident	4 Å²	4	22.6 Å²	22.6	3%	0.033	12%	0.121	C	C	.	.			trans	-64.4	126.7	-175.3	0	0	0	0	0	112.8	V655 T676 I719 F756 S931 Y952	V655-A933 HydrophobicContact CG1-CB 4.45Å; T676-A933 HydrophobicContact CG2-CB 4.01Å; I719-A933 HydrophobicContact CD1-CB 3.85Å; F756-A933 HydrophobicContact CE2-CB 4.36Å; F756-A933 HydrophobicContact CZ-CB 3.93Å; S931-A933 PolarHBondContact O-N 3.35Å; S931-A933 WeakPolarHBondContact OG-CB 3.16Å; S931-A933 PolarHBondContact OG-N 2.81Å; A933-Y952 WeakPolarHBondContact O-CE1 3.16Å
934	T	92.3	Very high	87.1	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.006	16%	0.159	C	C	.	.			trans	-128.8	137.4	176.9	62.4	0	0	0	0	111.7	L694 N695 V713 M714 H715 G932	L694-T934 WeakPolarHBondContact CA-O 3.39Å; N695-T934 WeakPolarHBondContact CB-OG1 3.43Å; N695-T934 PolarHBondContact N-O 3.11Å; N695-T934 PolarHBondContact ND2-OG1 3.47Å; N695-T934 VanDerWaalsContact ND2-OG1 3.13Å; N695-T934 PolarHBondContact OD1-N 2.99Å; N695-T934 PolarHBondContact OD1-O 2.86Å; V713-T934 HydrophobicContact CG1-CG2 4.13Å; V713-T934 WeakPolarHBondContact CG1-OG1 3.49Å; M714-T934 HydrophobicContact CB-CG2 3.91Å; H715-T934 HydrophobicContact CB-CG2 3.94Å; G932-T934 PolarHBondContact O-N 3.17Å
935	V	93.5	Very high	86.4	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	113.2	167.4	-176.3	0	0	0	0	107.4	V655 L692 G693 L694 L711 I938 V950 Y952	V655-V935 HydrophobicContact CG2-CG2 3.64Å; L692-V935 HydrophobicContact CD1-CG1 3.42Å; L692-V935 VanDerWaalsContact CD1-CG1 3.42Å; L692-V935 HydrophobicContact CD1-CG2 4.41Å; L692-V935 HydrophobicContact CG-CG1 4.33Å; G693-V935 CarbonylContact O-C 3.49Å; L694-V935 HydrophobicContact CD2-CB 4.41Å; L694-V935 HydrophobicContact CD2-CG2 3.87Å; L711-V935 HydrophobicContact CD1-CB 4.47Å; L711-V935 HydrophobicContact CD1-CG1 3.85Å; V935-I938 HydrophobicContact CG1-CD1 4.49Å; V935-I938 HydrophobicContact CG1-CG1 4.12Å; V935-V950 HydrophobicContact CB-CG1 4.14Å; V935-V950 HydrophobicContact CB-CG2 3.92Å; V935-V950 HydrophobicContact CG1-CG2 3.99Å; V935-V950 HydrophobicContact CG2-CG1 4.05Å; V935-V950 HydrophobicContact CG2-CG2 4.36Å; V935-Y952 PolarHBondContact N-OH 2.77Å
936	R	92.4	Very high	86.2	Confident	45 Å²	45	33.4 Å²	33.4	17%	0.17	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-25.1	-176.2	-65.9	-178.8	56.4	96.9	-0.9	112.3	G693 N695 E703 L711 V713	G693-R936 PolarHBondContact O-N 3.23Å; N695-R936 HydrophobicContact CB-CG 4.3Å; E703-R936 WeakPolarHBondContact OE1-CD 3.13Å; E703-R936 IonicContact OE1-CZ 2.68Å; E703-R936 IonicContact OE1-NE 2.99Å; E703-R936 PolarHBondContact OE1-NE 2.83Å; E703-R936 IonicContact OE2-CZ 3.12Å; E703-R936 IonicContact OE2-NE 3.18Å; E703-R936 PolarHBondContact OE2-NE 2.78Å; E703-R936 IonicContact OE2-NH2 3.64Å; E703-R936 PolarHBondContact OE2-NH2 2.72Å; L711-R936 PolarHBondContact N-O 2.97Å; V713-R936 HydrophobicContact CG1-CG 4.14Å; V713-R936 HydrophobicContact CG2-CG 4.1Å
937	S	93.3	Very high	86.3	Confident	7 Å²	7	36 Å²	36	5%	0.049	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	152.6	174.8	57.4	0	0	0	0	114.7	G693 D709	G693-S937 WeakPolarHBondContact CA-OG 3.49Å; G693-S937 PolarHBondContact N-O 3.45Å; G693-S937 PolarHBondContact N-OG 3.43Å; G693-S937 PolarHBondContact O-N 2.82Å; D709-S937 CarbonylContact O-C 3.54Å; D709-S937 WeakPolarHBondContact O-CA 3.26Å; D709-S937 WeakPolarHBondContact O-CB 3.38Å
938	I	94.4	Very high	86.5	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	109.5	164.6	-66	167.5	0	0	0	107.4	V651 C653 I690 L692 D709 L711 V935 V940 K948 V950	V651-I938 HydrophobicContact CB-CG2 4.36Å; V651-I938 HydrophobicContact CG1-CG2 3.97Å; C653-I938 HydrophobicContact CB-CD1 4.32Å; I690-I938 HydrophobicContact CG2-CG2 4.36Å; L692-I938 HydrophobicContact CD1-CD1 4.45Å; L692-I938 HydrophobicContact CD1-CG1 3.73Å; D709-I938 WeakPolarHBondContact CB-O 3.11Å; D709-I938 PolarHBondContact O-N 2.91Å; L711-I938 HydrophobicContact CD1-CD1 3.93Å; L711-I938 HydrophobicContact CD1-CG1 3.99Å; V935-I938 HydrophobicContact CG1-CD1 4.49Å; V935-I938 HydrophobicContact CG1-CG1 4.12Å; I938-V940 HydrophobicContact CG2-CG2 4.38Å; I938-K948 HydrophobicContact CB-CD 4.24Å; I938-K948 HydrophobicContact CB-CG 4.4Å; I938-K948 HydrophobicContact CG2-CD 4.33Å; I938-K948 HydrophobicContact CG2-CG 4.21Å; I938-K948 WeakPolarHBondContact O-CD 3.29Å; I938-K948 VanDerWaalsContact O-CE 3.28Å; I938-K948 WeakPolarHBondContact O-CE 3.28Å; I938-K948 PolarHBondContact O-NZ 3.24Å; I938-V950 HydrophobicContact CD1-CG2 3.96Å
939	S	93.2	Very high	86.8	Confident	19 Å²	19	37.7 Å²	37.7	13%	0.133	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	134.2	171.5	-76.6	0	0	0	0	109.7	I690 V691 D709	I690-S939 WeakPolarHBondContact CA-O 3.46Å; V691-S939 PolarHBondContact N-O 2.95Å; V691-S939 PolarHBondContact O-N 2.89Å; D709-S939 VanDerWaalsContact CB-OG 3.28Å; D709-S939 WeakPolarHBondContact CB-OG 3.46Å; D709-S939 VanDerWaalsContact CG-OG 3.32Å; D709-S939 WeakPolarHBondContact OD2-CB 3.47Å; D709-S939 PolarHBondContact OD2-OG 3.28Å
940	V	91.9	Very high	86.9	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.018	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	138.9	170.3	-166.9	0	0	0	0	107.8	V651 V684 P688 I690 R706 I938 T943 V946	V651-V940 HydrophobicContact CG2-CG2 4.1Å; V684-V940 HydrophobicContact CG1-CG1 4.45Å; P688-V940 HydrophobicContact CB-CG1 3.92Å; P688-V940 HydrophobicContact CG-CG1 3.51Å; I690-V940 HydrophobicContact CG1-CG1 4.34Å; I690-V940 HydrophobicContact CG1-CG2 4.4Å; R706-V940 PolarHBondContact NH1-O 2.93Å; I938-V940 HydrophobicContact CG2-CG2 4.38Å; V940-T943 WeakPolarHBondContact CG1-OG1 3.42Å; V940-V946 HydrophobicContact CB-CG2 4.36Å; V940-V946 HydrophobicContact CG1-CG2 4.38Å; V940-V946 HydrophobicContact CG2-CB 4.42Å; V940-V946 HydrophobicContact CG2-CG1 4.27Å; V940-V946 HydrophobicContact CG2-CG2 4.4Å
941	E	84.3	Confident	87.1	Confident	73 Å²	73	40.9 Å²	40.9	34%	0.341	23%	0.225	S	C	.	.	S	Bend	trans	-72.9	147	175.3	-144.6	-169	178.6	0	0	111	P688 H689 T943	P688-E941 HydrophobicContact CB-CB 3.81Å; P688-E941 VanDerWaalsContact CB-O 3.22Å; P688-E941 WeakPolarHBondContact CB-O 3.35Å; H689-E941 HydrophobicContact CB-CB 4.23Å; H689-E941 IonicContact CD2-OE2 3.33Å; H689-E941 PolarHBondContact CD2-OE2 3.28Å; H689-E941 IonicContact CG-OE2 2.94Å; H689-E941 PolarHBondContact N-OE2 3.26Å; H689-E941 VanDerWaalsContact N-OE2 3.16Å; H689-E941 WeakPolarHBondContact O-CB 3.41Å; H689-E941 PolarHBondContact O-N 3.05Å; E941-T943 PolarHBondContact O-N 3.49Å; E941-T943 PolarHBondContact O-OG1 2.94Å
942	H	71.5	Confident	87.2	Confident	166 Å²	166	41.2 Å²	41.2	77%	0.769	23%	0.225	S	C	*	.	S	Bend	trans	60.2	-16.7	173.2	-58.2	101.9	0	0	0	118.9
943	T	66.1	Low	87.4	Confident	27 Å²	27	41.5 Å²	41.5	17%	0.166	22%	0.224	C	C	.	.			trans	-118.2	100.8	-171.8	53.8	0	0	0	0	112.1	E649 V940 E941 N945 V946	E649-T943 WeakPolarHBondContact OE2-CB 3.43Å; E649-T943 WeakPolarHBondContact OE2-CG2 3.29Å; V940-T943 WeakPolarHBondContact CG1-OG1 3.42Å; E941-T943 PolarHBondContact O-N 3.49Å; E941-T943 PolarHBondContact O-OG1 2.94Å; T943-N945 VanDerWaalsContact C-N 3.3Å; T943-N945 PolarHBondContact O-N 3.2Å; T943-V946 VanDerWaalsContact CB-CG2 3.49Å; T943-V946 WeakPolarHBondContact OG1-CG2 3.4Å
944	G	65.8	Low	87.5	Confident	79 Å²	79	41.3 Å²	41.3	81%	0.814	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-9.8	179.5	0	0	0	0	0	115.6
945	N	78.4	Confident	87.6	Confident	152 Å²	152	43.7 Å²	43.7	81%	0.813	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.2	7.3	-168.8	-63.4	-14.7	0	0	0	114.1	T943	T943-N945 VanDerWaalsContact C-N 3.3Å; T943-N945 PolarHBondContact O-N 3.2Å
946	V	87.5	Confident	87.7	Confident	13 Å²	13	44.5 Å²	44.5	8%	0.079	24%	0.236	C	C	.	.			trans	-73.2	129.4	-174.9	-173.4	0	0	0	0	111.3	E649 V651 V684 V940 T943	E649-V946 HydrophobicContact CB-CB 4.4Å; E649-V946 HydrophobicContact CB-CG1 4.3Å; E649-V946 HydrophobicContact CB-CG2 3.94Å; V651-V946 HydrophobicContact CB-CG1 4.47Å; V651-V946 HydrophobicContact CG2-CG1 3.9Å; V684-V946 HydrophobicContact CG1-CG1 4.26Å; V940-V946 HydrophobicContact CB-CG2 4.36Å; V940-V946 HydrophobicContact CG1-CG2 4.38Å; V940-V946 HydrophobicContact CG2-CB 4.42Å; V940-V946 HydrophobicContact CG2-CG1 4.27Å; V940-V946 HydrophobicContact CG2-CG2 4.4Å; T943-V946 VanDerWaalsContact CB-CG2 3.49Å; T943-V946 WeakPolarHBondContact OG1-CG2 3.4Å
947	E	89.7	Confident	87.8	Confident	75 Å²	75	45.9 Å²	45.9	35%	0.35	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	135.4	171.6	-68.6	-173.2	-127.8	0	0	111.1	R648 E649 E650 V651 F949	R648-E947 IonicContact CZ-OE1 2.71Å; R648-E947 VanDerWaalsContact CZ-OE1 3.22Å; R648-E947 IonicContact CZ-OE2 2.74Å; R648-E947 IonicContact NE-OE1 2.63Å; R648-E947 PolarHBondContact NE-OE1 3.41Å; R648-E947 IonicContact NE-OE2 3.56Å; R648-E947 IonicContact NH2-OE1 2.73Å; R648-E947 PolarHBondContact NH2-OE1 2.83Å; R648-E947 IonicContact NH2-OE2 3.51Å; R648-E947 PolarHBondContact NH2-OE2 3.4Å; E649-E947 PolarHBondContact O-N 2.94Å; E650-E947 CarbonylContact C-O 3.58Å; E650-E947 VanDerWaalsContact CA-O 3.23Å; E650-E947 WeakPolarHBondContact CA-O 3.49Å; E650-E947 HydrophobicContact CB-CB 4.13Å; V651-E947 PolarHBondContact N-O 3.04Å; E947-F949 HydrophobicContact CB-CE2 3.65Å; E947-F949 HydrophobicContact CB-CZ 3.96Å; E947-F949 WeakPolarHBondContact OE2-CZ 3.41Å
948	K	91.2	Very high	87.9	Confident	29 Å²	29	45.8 Å²	45.8	13%	0.126	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	127.6	-170.7	-61.5	164.7	-170	-176.7	0	110.3	V651 S708 D709 L711 I938	V651-K948 WeakPolarHBondContact O-CA 3.48Å; S708-K948 PolarHBondContact O-NZ 2.97Å; D709-K948 VanDerWaalsContact CG-NZ 3.29Å; D709-K948 IonicContact OD1-NZ 2.78Å; D709-K948 PolarHBondContact OD1-NZ 2.85Å; L711-K948 HydrophobicContact CD2-CB 4.23Å; I938-K948 HydrophobicContact CB-CD 4.24Å; I938-K948 HydrophobicContact CB-CG 4.4Å; I938-K948 HydrophobicContact CG2-CD 4.33Å; I938-K948 HydrophobicContact CG2-CG 4.21Å; I938-K948 WeakPolarHBondContact O-CD 3.29Å; I938-K948 VanDerWaalsContact O-CE 3.28Å; I938-K948 WeakPolarHBondContact O-CE 3.28Å; I938-K948 PolarHBondContact O-NZ 3.24Å
949	F	90.7	Very high	87.9	Confident	52 Å²	52	47.4 Å²	47.4	23%	0.228	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	143.1	-175.7	-57.5	-80	0	0	0	111.6	E650 V651 C652 C653 E947	E650-F949 HydrophobicContact CB-CE2 4.19Å; V651-F949 PolarHBondContact O-N 2.87Å; C652-F949 CarbonylContact C-O 3.46Å; C652-F949 WeakPolarHBondContact CA-O 3.29Å; C652-F949 HydrophobicContact CB-CB 4.13Å; C652-F949 VanDerWaalsContact SG-CD2 3.56Å; C653-F949 PolarHBondContact N-O 2.86Å; E947-F949 HydrophobicContact CB-CE2 3.65Å; E947-F949 HydrophobicContact CB-CZ 3.96Å; E947-F949 WeakPolarHBondContact OE2-CZ 3.41Å
950	V	92.2	Very high	88	Confident	38 Å²	38	46.6 Å²	46.6	23%	0.23	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	135.4	170	-179.4	0	0	0	0	109.3	C653 V655 L711 V935 I938 Y952	C653-V950 HydrophobicContact CB-CG2 4.31Å; C653-V950 CarbonylContact O-C 3.59Å; C653-V950 VanDerWaalsContact O-CA 3.3Å; C653-V950 WeakPolarHBondContact O-CA 3.47Å; V655-V950 HydrophobicContact CG2-CG1 4.35Å; L711-V950 HydrophobicContact CD1-CG2 3.38Å; V935-V950 HydrophobicContact CB-CG1 4.14Å; V935-V950 HydrophobicContact CB-CG2 3.92Å; V935-V950 HydrophobicContact CG1-CG2 3.99Å; V935-V950 HydrophobicContact CG2-CG1 4.05Å; V935-V950 HydrophobicContact CG2-CG2 4.36Å; I938-V950 HydrophobicContact CD1-CG2 3.96Å; V950-Y952 HydrophobicContact CB-CE2 4.4Å; V950-Y952 HydrophobicContact CG1-CD2 4.18Å; V950-Y952 HydrophobicContact CG1-CE1 4.14Å; V950-Y952 HydrophobicContact CG1-CE2 3.57Å
951	K	91.1	Very high	88.2	Confident	61 Å²	61	49 Å²	49	27%	0.265	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	122.8	174.6	-176.6	169.2	-175.9	168.5	0	110.4	P287 I291 C653 Y654 V655	P287-K951 PolarHBondContact O-NZ 3.16Å; I291-K951 HydrophobicContact CD1-CD 4.47Å; C653-K951 PolarHBondContact O-N 3.15Å; Y654-K951 CarbonylContact C-O 3.5Å; Y654-K951 WeakPolarHBondContact CA-O 3.34Å; Y654-K951 HydrophobicContact CD1-CB 3.89Å; Y654-K951 HydrophobicContact CD1-CD 4.25Å; Y654-K951 HydrophobicContact CD1-CG 4.42Å; Y654-K951 HydrophobicContact CE1-CB 4.32Å; Y654-K951 HydrophobicContact CE1-CD 4.29Å; V655-K951 PolarHBondContact N-O 3.13Å
952	Y	92.6	Very high	88.7	Confident	16 Å²	16	46 Å²	46	6%	0.063	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	139.8	175.2	-58.2	-85.6	0	0	0	110.6	V655 M714 S927 T929 A933 V935 V950	V655-Y952 HydrophobicContact CB-CD1 3.63Å; V655-Y952 HydrophobicContact CB-CE1 3.95Å; V655-Y952 HydrophobicContact CG1-CD1 4.01Å; V655-Y952 HydrophobicContact CG1-CE1 4.3Å; V655-Y952 HydrophobicContact CG2-CD1 3.97Å; V655-Y952 HydrophobicContact CG2-CE1 3.75Å; V655-Y952 WeakPolarHBondContact O-CA 3.35Å; M714-Y952 HydrophobicContact CG-CD2 3.84Å; M714-Y952 HydrophobicContact CG-CE2 3.49Å; M714-Y952 VanDerWaalsContact CG-CE2 3.49Å; M714-Y952 HydrophobicContact SD-CD2 4.36Å; M714-Y952 HydrophobicContact SD-CE2 4.37Å; S927-Y952 PolarHBondContact N-O 2.91Å; T929-Y952 HydrophobicContact CG2-CD1 3.53Å; T929-Y952 HydrophobicContact CG2-CE1 4.27Å; T929-Y952 HydrophobicContact CG2-CG 4.26Å; A933-Y952 WeakPolarHBondContact O-CE1 3.16Å; V935-Y952 PolarHBondContact N-OH 2.77Å; V950-Y952 HydrophobicContact CB-CE2 4.4Å; V950-Y952 HydrophobicContact CG1-CD2 4.18Å; V950-Y952 HydrophobicContact CG1-CE1 4.14Å; V950-Y952 HydrophobicContact CG1-CE2 3.57Å
953	L	92.6	Very high	89.8	Confident	11 Å²	11	39.8 Å²	39.8	6%	0.058	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	119.6	176.7	176.6	67.8	0	0	0	110.2	V655 V656 D657 P926	V655-L953 PolarHBondContact O-N 2.87Å; V656-L953 VanDerWaalsContact CA-O 3.31Å; V656-L953 WeakPolarHBondContact CA-O 3.35Å; D657-L953 PolarHBondContact N-O 2.85Å; P926-L953 HydrophobicContact CB-CD1 4.5Å
954	T	93.4	Very high	91	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	140	167.4	-49.1	0	0	0	0	110.4	D657 T924 M925 S928 T929 V930 Y956	D657-T954 HydrophobicContact CB-CG2 4.01Å; D657-T954 CarbonylContact O-C 3.56Å; D657-T954 WeakPolarHBondContact O-CA 3.23Å; T924-T954 CarbonylContact C-O 3.58Å; T924-T954 WeakPolarHBondContact CA-O 3.35Å; M925-T954 PolarHBondContact N-O 2.76Å; M925-T954 PolarHBondContact O-N 2.73Å; S928-T954 PolarHBondContact O-OG1 3Å; S928-T954 WeakPolarHBondContact OG-CB 3.32Å; S928-T954 PolarHBondContact OG-OG1 3.34Å; T929-T954 WeakPolarHBondContact CA-OG1 3.18Å; V930-T954 HydrophobicContact CB-CG2 4.32Å; V930-T954 HydrophobicContact CG2-CG2 3.56Å; T954-Y956 HydrophobicContact CG2-CD2 3.7Å; T954-Y956 HydrophobicContact CG2-CE1 4.37Å; T954-Y956 HydrophobicContact CG2-CE2 3.32Å; T954-Y956 HydrophobicContact CG2-CG 4.39Å
955	K	94.5	Very high	92	Very high	51 Å²	51	41.7 Å²	41.7	22%	0.222	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126.7	163.3	-49.6	177.5	-163	158.8	0	108.1	V656 D657 E658 Y659 T924	V656-K955 HydrophobicContact CG1-CD 4.44Å; V656-K955 HydrophobicContact CG1-CG 4.47Å; D657-K955 PolarHBondContact O-N 3.28Å; E658-K955 HydrophobicContact CG-CD 4.21Å; E658-K955 IonicContact OE1-NZ 3.73Å; E658-K955 PolarHBondContact OE1-NZ 3.11Å; Y659-K955 PolarHBondContact N-O 3.47Å; T924-K955 HydrophobicContact CG2-CG 4.27Å
956	Y	94.9	Very high	91.9	Very high	17 Å²	17	38.9 Å²	38.9	7%	0.067	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	134.5	172.2	-68.5	-95.7	0	0	0	109.3	Y659 L766 P767 E922 Y923 M925 V930 T954	Y659-Y956 AromaticContact CD1-CD1 3.63Å; Y659-Y956 HydrophobicContact CD1-CD1 3.63Å; Y659-Y956 HydrophobicContact CD1-CE1 4.33Å; Y659-Y956 HydrophobicContact CE1-CD1 4.34Å; Y659-Y956 AromaticContact CG-CD1 3.86Å; Y659-Y956 HydrophobicContact CG-CD1 3.86Å; Y659-Y956 HydrophobicContact CG-CE1 4.22Å; L766-Y956 HydrophobicContact CD2-CD1 4.43Å; L766-Y956 HydrophobicContact CD2-CE1 4.28Å; P767-Y956 HydrophobicContact CG-CE1 3.94Å; P767-Y956 HydrophobicContact CG-CE2 3.95Å; P767-Y956 VanDerWaalsContact CG-CZ 3.44Å; P767-Y956 WeakPolarHBondContact CG-OH 3.26Å; E922-Y956 WeakPolarHBondContact CA-O 3.47Å; Y923-Y956 AromaticContact CD2-CD2 3.77Å; Y923-Y956 HydrophobicContact CD2-CD2 3.77Å; Y923-Y956 HydrophobicContact CD2-CG 4.28Å; Y923-Y956 HydrophobicContact CE1-CG 4.29Å; Y923-Y956 HydrophobicContact CE2-CD1 4.47Å; Y923-Y956 AromaticContact CE2-CD2 3.16Å; Y923-Y956 HydrophobicContact CE2-CD2 3.16Å; Y923-Y956 AromaticContact CE2-CE2 3.72Å; Y923-Y956 HydrophobicContact CE2-CE2 3.72Å; Y923-Y956 AromaticContact CE2-CG 3.59Å; Y923-Y956 HydrophobicContact CE2-CG 3.59Å; Y923-Y956 AromaticContact CZ-CD2 3.68Å; Y923-Y956 AromaticContact CZ-CG 3.59Å; Y923-Y956 PolarHBondContact N-O 3.21Å; Y923-Y956 PolarHBondContact O-N 3.01Å; M925-Y956 HydrophobicContact CB-CD2 4.38Å; M925-Y956 HydrophobicContact CB-CE2 3.96Å; M925-Y956 HydrophobicContact SD-CE2 3.95Å; V930-Y956 HydrophobicContact CG2-CE1 3.61Å; V930-Y956 HydrophobicContact CG2-CE2 4.32Å; V930-Y956 WeakPolarHBondContact CG2-OH 3.46Å; T954-Y956 HydrophobicContact CG2-CD2 3.7Å; T954-Y956 HydrophobicContact CG2-CE1 4.37Å; T954-Y956 HydrophobicContact CG2-CE2 3.32Å; T954-Y956 HydrophobicContact CG2-CG 4.39Å
957	K	94.6	Very high	91	Very high	74 Å²	74	39.4 Å²	39.4	32%	0.322	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	116.7	172.8	169.5	-179.6	166.4	-143	0	108.5	Y659 E660 G661 I921 E922	Y659-K957 PolarHBondContact O-N 2.86Å; E660-K957 VanDerWaalsContact CA-O 3.24Å; E660-K957 WeakPolarHBondContact CA-O 3.33Å; E660-K957 IonicContact OE1-NZ 2.86Å; E660-K957 PolarHBondContact OE1-NZ 3.42Å; G661-K957 PolarHBondContact N-O 2.96Å; I921-K957 WeakPolarHBondContact O-CA 3.33Å; E922-K957 HydrophobicContact CG-CB 3.97Å; E922-K957 HydrophobicContact CG-CG 3.9Å; E922-K957 WeakPolarHBondContact OE1-CG 3.41Å
958	Y	94.9	Very high	89.5	Confident	6 Å²	6	40.8 Å²	40.8	2%	0.024	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	160.9	178.9	54.5	-84.4	0	0	0	112.1	G661 L663 L766 M768 I921 Y923	G661-Y958 WeakPolarHBondContact O-CA 3.37Å; G661-Y958 WeakPolarHBondContact O-CB 3.3Å; L663-Y958 HydrophobicContact CD1-CD2 4.02Å; L663-Y958 HydrophobicContact CD1-CG 4.42Å; L663-Y958 HydrophobicContact CD2-CD2 4.34Å; L663-Y958 HydrophobicContact CD2-CE2 4.2Å; L766-Y958 HydrophobicContact CD1-CD1 3.84Å; L766-Y958 HydrophobicContact CD1-CD2 4.06Å; L766-Y958 HydrophobicContact CD1-CE1 3.65Å; L766-Y958 HydrophobicContact CD1-CE2 3.85Å; L766-Y958 HydrophobicContact CD1-CG 4.04Å; M768-Y958 PolarHBondContact O-OH 3.29Å; M768-Y958 VanDerWaalsContact O-OH 3.06Å; I921-Y958 HydrophobicContact CB-CD2 4.16Å; I921-Y958 HydrophobicContact CB-CE1 4.29Å; I921-Y958 HydrophobicContact CB-CE2 3.85Å; I921-Y958 HydrophobicContact CD1-CD2 4.05Å; I921-Y958 HydrophobicContact CD1-CE2 3.45Å; I921-Y958 VanDerWaalsContact CD1-CE2 3.45Å; I921-Y958 HydrophobicContact CG1-CE2 4.26Å; I921-Y958 HydrophobicContact CG2-CE1 3.85Å; I921-Y958 HydrophobicContact CG2-CE2 3.94Å; I921-Y958 VanDerWaalsContact CG2-CZ 3.49Å; I921-Y958 PolarHBondContact N-O 3.49Å; I921-Y958 PolarHBondContact O-N 2.88Å; Y923-Y958 HydrophobicContact CD1-CE1 4.4Å; Y923-Y958 AromaticContact CE1-CE1 3.61Å; Y923-Y958 HydrophobicContact CE1-CE1 3.61Å
959	T	95.8	Very high	87.3	Confident	34 Å²	34	49.7 Å²	49.7	21%	0.209	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	144.7	168.6	55.7	0	0	0	0	110	G661 K662 L663 Y918 C919 Q920	G661-T959 PolarHBondContact O-N 3.35Å; G661-T959 VanDerWaalsContact O-N 3.17Å; K662-T959 WeakPolarHBondContact CA-O 3.44Å; L663-T959 PolarHBondContact N-O 3.22Å; Y918-T959 HydrophobicContact CD2-CG2 3.82Å; Y918-T959 HydrophobicContact CE2-CG2 4.26Å; Y918-T959 HydrophobicContact CG-CG2 4.39Å; C919-T959 VanDerWaalsContact O-CA 3.24Å; C919-T959 WeakPolarHBondContact O-CA 3.36Å; Q920-T959 HydrophobicContact CG-CG2 4.22Å
960	M	95.6	Very high	85.1	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	132	172.4	-178.4	-170.6	-179.3	0	0	109.9	L663 V665 V770 K771 Y918 C919 I921	L663-M960 HydrophobicContact CB-CB 4.26Å; L663-M960 HydrophobicContact CB-CG 4.15Å; L663-M960 WeakPolarHBondContact O-CA 3.19Å; V665-M960 WeakPolarHBondContact O-CE 3.22Å; V770-M960 HydrophobicContact CB-SD 4.22Å; V770-M960 HydrophobicContact CG1-SD 4.38Å; V770-M960 WeakPolarHBondContact O-CE 3.19Å; K771-M960 HydrophobicContact CB-CE 4.43Å; Y918-M960 CarbonylContact C-O 3.55Å; Y918-M960 WeakPolarHBondContact CA-O 3.47Å; Y918-M960 WeakPolarHBondContact CB-O 3.19Å; C919-M960 PolarHBondContact N-O 3.37Å; C919-M960 PolarHBondContact O-N 3.37Å; I921-M960 HydrophobicContact CD1-CB 3.98Å
961	D	95.4	Very high	82.6	Confident	53 Å²	53	61.6 Å²	61.6	28%	0.283	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	144.5	176	-59.1	-25.2	0	0	0	112.3	L663 N664 V665 P917	L663-D961 PolarHBondContact O-N 2.84Å; N664-D961 WeakPolarHBondContact CA-OD2 3.4Å; V665-D961 HydrophobicContact CG2-CB 3.54Å; P917-D961 CarbonylContact O-C 3.54Å; P917-D961 WeakPolarHBondContact O-CA 3.19Å
962	I	94.8	Very high	80.2	Confident	9 Å²	9	64 Å²	64	5%	0.046	32%	0.317	C	S	.	.			trans	-98.9	133.7	-175.1	-62.4	171.7	0	0	0	110.4	V772 Y774 P812 P917 C919 Y964	V772-I962 HydrophobicContact CB-CG1 4.31Å; V772-I962 HydrophobicContact CB-CG2 4.49Å; V772-I962 HydrophobicContact CG1-CG1 4.27Å; V772-I962 HydrophobicContact CG1-CG2 4.07Å; Y774-I962 HydrophobicContact CD2-CG2 3.49Å; Y774-I962 VanDerWaalsContact CD2-CG2 3.49Å; Y774-I962 HydrophobicContact CE2-CG2 3.97Å; P812-I962 HydrophobicContact CG-CD1 3.62Å; P917-I962 PolarHBondContact O-N 3.48Å; C919-I962 HydrophobicContact CB-CD1 4.21Å; C919-I962 HydrophobicContact CB-CG1 4.31Å; I962-Y964 HydrophobicContact CB-CD2 4.09Å; I962-Y964 HydrophobicContact CB-CE2 3.65Å; I962-Y964 HydrophobicContact CD1-CE2 4.38Å; I962-Y964 HydrophobicContact CG2-CD2 3.82Å; I962-Y964 HydrophobicContact CG2-CE1 4.27Å; I962-Y964 HydrophobicContact CG2-CE2 3.49Å; I962-Y964 VanDerWaalsContact CG2-CE2 3.49Å; I962-Y964 HydrophobicContact CG2-CG 4.35Å; I962-Y964 PolarHBondContact O-N 3.41Å
963	D	94.2	Very high	77.5	Confident	36 Å²	36	69.6 Å²	69.6	19%	0.193	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	97.7	174.6	-172.9	5.4	0	0	0	110.9	V665 V772 T773 Y774 Q965	V665-D963 HydrophobicContact CG1-CB 3.58Å; V772-D963 WeakPolarHBondContact O-CB 3.28Å; V772-D963 PolarHBondContact O-N 2.77Å; T773-D963 CarbonylContact C-O 3.54Å; T773-D963 VanDerWaalsContact CA-O 3.31Å; T773-D963 WeakPolarHBondContact CA-O 3.33Å; T773-D963 HydrophobicContact CG2-CB 4.09Å; T773-D963 PolarHBondContact OG1-OD2 2.98Å; Y774-D963 PolarHBondContact N-O 3.48Å; D963-Q965 WeakPolarHBondContact OD1-CG 3.29Å; D963-Q965 PolarHBondContact OD1-NE2 3.4Å; D963-Q965 PolarHBondContact OD2-NE2 2.75Å
964	Y	90.7	Very high	75	Confident	50 Å²	50	76.8 Å²	76.8	20%	0.196	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	110.8	176.4	-75.4	-79.8	0	0	0	111.9	Y774 L915 I916 I962	Y774-Y964 HydrophobicContact CD1-CE1 4.03Å; Y774-Y964 HydrophobicContact CD2-CD1 4.43Å; Y774-Y964 AromaticContact CD2-CE1 3.89Å; Y774-Y964 HydrophobicContact CD2-CE1 3.89Å; Y774-Y964 HydrophobicContact CE2-CE1 4.49Å; Y774-Y964 AromaticContact CG-CD1 3.98Å; Y774-Y964 HydrophobicContact CG-CD1 3.98Å; Y774-Y964 AromaticContact CG-CE1 3.63Å; Y774-Y964 HydrophobicContact CG-CE1 3.63Å; L915-Y964 HydrophobicContact CD1-CD1 4.05Å; L915-Y964 HydrophobicContact CD1-CE1 3.92Å; I916-Y964 PolarHBondContact O-OH 2.88Å; I962-Y964 HydrophobicContact CB-CD2 4.09Å; I962-Y964 HydrophobicContact CB-CE2 3.65Å; I962-Y964 HydrophobicContact CD1-CE2 4.38Å; I962-Y964 HydrophobicContact CG2-CD2 3.82Å; I962-Y964 HydrophobicContact CG2-CE1 4.27Å; I962-Y964 HydrophobicContact CG2-CE2 3.49Å; I962-Y964 VanDerWaalsContact CG2-CE2 3.49Å; I962-Y964 HydrophobicContact CG2-CG 4.35Å; I962-Y964 PolarHBondContact O-N 3.41Å
965	Q	87.8	Confident	72.5	Confident	96 Å²	96	85.7 Å²	85.7	45%	0.449	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	116.2	-179.1	-55.8	-177.6	2	0	0	110.6	T773 Y774 T775 I776 D963	T773-Q965 HydrophobicContact CG2-CG 4.16Å; Y774-Q965 PolarHBondContact O-N 3.47Å; T775-Q965 WeakPolarHBondContact CA-O 3.45Å; T775-Q965 HydrophobicContact CG2-CB 4.18Å; I776-Q965 PolarHBondContact N-O 2.83Å; D963-Q965 WeakPolarHBondContact OD1-CG 3.29Å; D963-Q965 PolarHBondContact OD1-NE2 3.4Å; D963-Q965 PolarHBondContact OD2-NE2 2.75Å
966	L	77	Confident	69.9	Low	93 Å²	93	88 Å²	88	49%	0.487	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	130.1	177.8	-172.6	74.6	0	0	0	111.4	I776 W912	I776-L966 HydrophobicContact CB-CD1 3.85Å; I776-L966 HydrophobicContact CG2-CD1 3.72Å; I776-L966 WeakPolarHBondContact O-CD1 3.47Å; W912-L966 HydrophobicContact CH2-CB 3.5Å; W912-L966 HydrophobicContact CH2-CD2 3.74Å; W912-L966 HydrophobicContact CH2-CG 4.18Å; W912-L966 HydrophobicContact CZ2-CB 4.12Å; W912-L966 HydrophobicContact CZ2-CD2 3.4Å; W912-L966 VanDerWaalsContact CZ2-CD2 3.4Å; W912-L966 HydrophobicContact CZ2-CG 4.31Å; W912-L966 HydrophobicContact CZ3-CB 4.33Å
967	G	68.1	Low	67.7	Low	25 Å²	25	95.3 Å²	95.3	26%	0.258	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-70.4	151	171.8	0	0	0	0	0	112.8	I776 R969	I776-G967 PolarHBondContact O-N 3.34Å; G967-R969 PolarHBondContact O-N 3.49Å
968	S	56.7	Low	65.3	Low	104 Å²	104	98.8 Å²	98.8	73%	0.727	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-67.4	116.5	-178.9	51.2	0	0	0	0	111.7	K970	S968-K970 PolarHBondContact O-N 3.01Å
969	R	45.8	Very low	62.8	Low	215 Å²	215	106.1 Å²	106.1	81%	0.811	55%	0.553	S	S	*	*			trans	-60.1	101.9	177.9	-164.2	-170.3	-156	-157.3	12.7	110.3	G967 E971	G967-R969 PolarHBondContact O-N 3.49Å; R969-E971 PolarHBondContact O-N 3.15Å
970	K	45.5	Very low	60.3	Low	197 Å²	197	112.9 Å²	112.9	86%	0.857	58%	0.582	S	S	*	*			trans	-70.6	98	166.3	-73.7	-179.7	179.9	173.2	0	108.8	S968	S968-K970 PolarHBondContact O-N 3.01Å
971	E	38.8	Very low	57.5	Low	144 Å²	144	119.2 Å²	119.2	67%	0.673	62%	0.616	S	S	*	*			trans	-62.2	137.3	169.7	-64.6	-166.5	146.3	0	0	110.4	R969 V973	R969-E971 PolarHBondContact O-N 3.15Å; E971-V973 PolarHBondContact O-N 3.04Å
972	P	41.3	Very low	54.7	Low	110 Å²	110	123.9 Å²	123.9	71%	0.714	65%	0.646	S	S	*	*			trans	-72	120.9	176.2	28.9	-32.5	0	0	0	109.9	L974	P972-L974 VanDerWaalsContact C-N 3.34Å; P972-L974 PolarHBondContact O-N 3.15Å
973	V	35.7	Very low	51.8	Low	135 Å²	135	128.4 Å²	128.4	82%	0.818	68%	0.679	S	S	*	*			trans	-70.7	88.5	176.3	-177.4	0	0	0	0	110	E971	E971-V973 PolarHBondContact O-N 3.04Å
974	L	40.1	Very low	48.9	Very low	162 Å²	162	131.6 Å²	131.6	85%	0.848	70%	0.704	S	S	*	*			trans	-99.6	85.5	167.1	-72.7	176.2	0	0	0	109.9	P972	P972-L974 VanDerWaalsContact C-N 3.34Å; P972-L974 PolarHBondContact O-N 3.15Å
975	K	40.7	Very low	46.2	Very low	187 Å²	187	135.9 Å²	135.9	81%	0.813	73%	0.729	S	S	*	*			trans	-92.3	112.5	157.6	-81.2	-170.2	173.2	-176.2	0	108.7
976	S	40.5	Very low	43.8	Very low	99 Å²	99	140.7 Å²	140.7	69%	0.692	75%	0.745	S	S	*	*			trans	-59.6	133.9	170.7	-175.1	0	0	0	0	110.1	L978	S976-L978 VanDerWaalsContact C-N 3.35Å
977	L	47.7	Very low	41.7	Very low	170 Å²	170	145.9 Å²	145.9	89%	0.89	77%	0.767	S	S	*	*	S	Bend	trans	-94.5	19	-175.6	-101.6	163.3	0	0	0	113
978	L	44.5	Very low	39.9	Very low	147 Å²	147	150.9 Å²	150.9	77%	0.77	79%	0.792	S	S	*	*			trans	-130.2	16.2	-160.8	-74.1	176	0	0	0	116.9	S976	S976-L978 VanDerWaalsContact C-N 3.35Å
979	D	42	Very low	38.7	Very low	161 Å²	161	151.4 Å²	151.4	86%	0.861	80%	0.796	S	S	*	*			trans	-120.2	91	169.3	-80	-52.1	0	0	0	111.3
980	E	43	Very low	37.9	Very low	175 Å²	175	148 Å²	148	82%	0.818	79%	0.794	S	S	*	*			trans	-86.2	128.2	165.6	-79.4	-159.8	153.4	0	0	111.4
981	N	36.5	Very low	37.1	Very low	135 Å²	135	146.6 Å²	146.6	72%	0.722	79%	0.79	S	S	*	*			trans	52.3	88.1	143.8	-58.6	-44.9	0	0	0	118.6
982	T	37.8	Very low	36.8	Very low	151 Å²	151	148.2 Å²	148.2	93%	0.926	80%	0.798	S	S	*	*				-136.8	140.7	126.4	17.7	0	0	0	0	111.4
983	S	33.9	Very low	36.2	Very low	104 Å²	104	148.4 Å²	148.4	73%	0.727	80%	0.797	S	S	*	*			trans	-90.3	156.3	-156.3	-49.6	0	0	0	0	114.6
984	S	31.6	Very low	35.8	Very low	104 Å²	104	148.2 Å²	148.2	73%	0.727	80%	0.802	S	S	*	*			trans	54.8	115.9	147.8	60.5	0	0	0	0	118.2
985	L	35.2	Very low	35.5	Very low	139 Å²	139	144.8 Å²	144.8	73%	0.728	79%	0.792	S	S	*	*				-167	126.7	127.1	-97.3	152.9	0	0	0	109.5
986	Y	36.8	Very low	35	Very low	197 Å²	197	143.7 Å²	143.7	77%	0.773	80%	0.795	S	S	*	*			trans	68.1	85.3	171	-49	-63.8	0	0	0	118.5	T988	Y986-T988 PolarHBondContact O-N 3.08Å
987	E	32.9	Very low	34.5	Very low	203 Å²	203	149.2 Å²	149.2	95%	0.949	80%	0.8	S	S	*	*			trans	-59.5	126.7	157.8	-70.1	176.4	137.2	0	0	110.5
988	T	31	Very low	33.8	Very low	130 Å²	130	148.7 Å²	148.7	80%	0.798	79%	0.791	S	S	*	*			trans	-130.6	100.9	176	-50.7	0	0	0	0	108.9	Y986	Y986-T988 PolarHBondContact O-N 3.08Å
989	S	31.3	Very low	33.1	Very low	115 Å²	115	152.1 Å²	152.1	80%	0.804	80%	0.795	S	S	*	*			trans	-168.9	75.4	166.3	44.1	0	0	0	0	112.7
990	N	29.9	Very low	32.7	Very low	144 Å²	144	150.9 Å²	150.9	77%	0.77	78%	0.784	S	S	*	*			trans	-70.5	148.1	148.6	-83.6	-6.7	0	0	0	109.3
991	E	27.1	Very low	32.3	Very low	166 Å²	166	152.1 Å²	152.1	78%	0.776	79%	0.79	S	S	*	*			trans	34.7	106.6	142.1	-57.6	176.3	147.2	0	0	119.3
992	Q	32.7	Very low	32	Very low	178 Å²	178	152.9 Å²	152.9	83%	0.832	79%	0.794	S	S	*	*			trans	-165	90.3	146	-106.6	141.5	81.5	0	0	109.7
993	T	30	Very low	31.9	Very low	115 Å²	115	150.4 Å²	150.4	71%	0.706	79%	0.789	S	S	*	*				52.6	101.3	98	61.5	0	0	0	0	114.4	S995	T993-S995 PolarHBondContact O-N 2.87Å
994	S	27	Very low	31.9	Very low	130 Å²	130	150.4 Å²	150.4	91%	0.909	79%	0.789	S	S	*	*			trans	-53.6	115.1	159.1	49.5	0	0	0	0	111
995	S	32.5	Very low	32.1	Very low	91 Å²	91	153.4 Å²	153.4	64%	0.636	80%	0.797	S	S	*	*			trans	-126.4	89	172.9	62.4	0	0	0	0	111.1	T993 R997	T993-S995 PolarHBondContact O-N 2.87Å; S995-R997 PolarHBondContact O-N 3.47Å
996	N	30.2	Very low	32	Very low	164 Å²	164	153.6 Å²	153.6	88%	0.877	80%	0.798	S	S	*	*			trans	-59.5	114.3	158.9	-76.9	-30.2	0	0	0	108.3	K998	N996-K998 VanDerWaalsContact C-N 3.34Å; N996-K998 PolarHBondContact O-N 3.47Å
997	R	30.4	Very low	32	Very low	214 Å²	214	150.8 Å²	150.8	81%	0.808	80%	0.797	S	S	*	*			trans	-88.5	78.3	164.9	-65.5	-167.5	-161.9	-174.1	7.7	109.6	S995	S995-R997 PolarHBondContact O-N 3.47Å
998	K	34.1	Very low	32.1	Very low	160 Å²	160	148.1 Å²	148.1	70%	0.696	79%	0.788	S	S	*	*			trans	-77.4	129.9	144.1	-84.7	-173.1	164.5	-163.4	0	107	N996 E1000	N996-K998 VanDerWaalsContact C-N 3.34Å; N996-K998 PolarHBondContact O-N 3.47Å; K998-E1000 IonicContact NZ-OE1 2.94Å; K998-E1000 PolarHBondContact NZ-OE1 2.85Å; K998-E1000 PolarHBondContact O-N 3.03Å
999	Y	29.4	Very low	32.2	Very low	218 Å²	218	146.3 Å²	146.3	86%	0.855	78%	0.78	S	S	*	*			trans	-79.6	92.8	159.9	-83.6	-81.2	0	0	0	108.1
1000	E	34.4	Very low	32.4	Very low	135 Å²	135	147 Å²	147	63%	0.631	78%	0.775	S	S	*	*			trans	-107.3	115.6	157.7	-88.1	166.6	-164.7	0	0	106.9	K998 N1002	K998-E1000 IonicContact NZ-OE1 2.94Å; K998-E1000 PolarHBondContact NZ-OE1 2.85Å; K998-E1000 PolarHBondContact O-N 3.03Å; E1000-N1002 PolarHBondContact O-N 3.12Å; E1000-N1002 VanDerWaalsContact O-N 3.15Å
1001	Q	33.9	Very low	32.7	Very low	202 Å²	202	146.6 Å²	146.6	94%	0.944	77%	0.773	S	S	*	*			trans	-81.6	94.8	-178.7	-160.6	171.9	15.7	0	0	108.6	A1003	Q1001-A1003 PolarHBondContact O-N 2.91Å; Q1001-A1003 VanDerWaalsContact O-N 3.16Å
1002	N	29.8	Very low	33.1	Very low	150 Å²	150	144.9 Å²	144.9	80%	0.802	77%	0.769	S	S	*	*			trans	-63.2	112.7	178.3	-83.8	-48	0	0	0	111.5	E1000	E1000-N1002 PolarHBondContact O-N 3.12Å; E1000-N1002 VanDerWaalsContact O-N 3.15Å
1003	A	36.1	Very low	33.2	Very low	100 Å²	100	142.5 Å²	142.5	83%	0.826	76%	0.762	S	S	*	*			trans	-85.8	112.7	148.8	0	0	0	0	0	107.8	Q1001	Q1001-A1003 PolarHBondContact O-N 2.91Å; Q1001-A1003 VanDerWaalsContact O-N 3.16Å
1004	S	34	Very low	33.4	Very low	103 Å²	103	143.4 Å²	143.4	72%	0.72	76%	0.763	S	S	*	*			trans	-66.2	138.5	-176	52.7	0	0	0	0	113.3
1005	N	35	Very low	33.9	Very low	168 Å²	168	145.6 Å²	145.6	90%	0.898	76%	0.758	S	S	*	*			trans	-151.3	131.1	130	-100.7	-29.1	0	0	0	111.8
1006	N	34.6	Very low	34	Very low	142 Å²	142	145 Å²	145	76%	0.759	76%	0.759	S	S	*	*			trans	-100.4	169.5	-177	-99.7	-29.1	0	0	0	111.3
1007	N	35	Very low	34.2	Very low	138 Å²	138	144.4 Å²	144.4	74%	0.738	75%	0.752	S	S	*	*			trans	84.1	107	168.1	-48.1	-37.5	0	0	0	114
1008	I	35	Very low	34.4	Very low	147 Å²	147	141.8 Å²	141.8	75%	0.754	75%	0.75	S	S	*	*				80.7	105.2	57.4	-63.2	172.1	0	0	0	112.5
1009	S	33	Very low	34.4	Very low	92 Å²	92	138.2 Å²	138.2	64%	0.643	75%	0.745	S	S	*	*			trans	82.6	145.8	142	86.8	0	0	0	0	123
1010	D	36.1	Very low	34.7	Very low	131 Å²	131	136 Å²	136	70%	0.701	74%	0.742	S	S	*	*			trans	81.6	82.7	150.1	-53.2	-41.7	0	0	0	120.6
1011	N	35.5	Very low	34.8	Very low	135 Å²	135	135.6 Å²	135.6	72%	0.722	74%	0.74	S	S	*	*				45.3	122.5	113.4	-80	-30.9	0	0	0	120.3
1012	N	35.5	Very low	34.9	Very low	129 Å²	129	134.3 Å²	134.3	69%	0.69	73%	0.728	S	S	*	*			trans	78.7	121.4	135.9	-68.8	-21.7	0	0	0	120.8
1013	N	36.1	Very low	35.4	Very low	129 Å²	129	133.3 Å²	133.3	69%	0.69	72%	0.718	S	S	*	*			trans	80.4	107.2	135.5	-65.5	-14.1	0	0	0	120.2
1014	N	34.4	Very low	35.5	Very low	134 Å²	134	138.1 Å²	138.1	72%	0.717	72%	0.715	S	S	*	*				86	140.3	124.8	-63.9	-14.6	0	0	0	120.9
1015	H	35.8	Very low	35.7	Very low	176 Å²	176	138.6 Å²	138.6	82%	0.815	71%	0.713	S	S	*	*			trans	74.1	96.6	154.2	-74.4	-60.7	0	0	0	120.5
1016	A	34.8	Very low	35.9	Very low	79 Å²	79	136.5 Å²	136.5	65%	0.653	70%	0.702	S	S	*	*				80.3	137.7	103.3	0	0	0	0	0	122.1
1017	M	34.8	Very low	35.9	Very low	150 Å²	150	136.2 Å²	136.2	74%	0.739	70%	0.701	S	S	*	*			trans	76.5	120.9	147.7	-80.1	170.6	115.6	0	0	120.8
1018	E	34.7	Very low	36	Very low	160 Å²	160	134.9 Å²	134.9	75%	0.748	70%	0.697	S	S	*	*				60.7	139.2	129.8	-66.8	172.5	175.4	0	0	118.6
1019	S	34.2	Very low	36	Very low	85 Å²	85	133.4 Å²	133.4	59%	0.594	70%	0.695	S	S	*	*			cis	175.3	172.9	3.8	48.5	0	0	0	0	105.8
1020	E	36.1	Very low	35.9	Very low	170 Å²	170	134.8 Å²	134.8	79%	0.794	70%	0.7	S	S	*	*			trans	67.6	147.1	157.2	-71.2	169.2	-145.6	0	0	119.8
1021	E	35.6	Very low	35.9	Very low	127 Å²	127	134.3 Å²	134.3	59%	0.593	70%	0.701	S	S	*	*			cis	-168.5	-163.7	-26.3	-147.6	-167.5	173.7	0	0	108.2
1022	Y	36.9	Very low	35.9	Very low	176 Å²	176	134.7 Å²	134.7	69%	0.69	70%	0.702	S	S	*	*			trans	80	102	168.7	-61.1	-79.8	0	0	0	117.4
1023	H	40	Very low	35.8	Very low	129 Å²	129	132.9 Å²	132.9	60%	0.597	70%	0.699	S	S	*	*				93.6	140.6	71.9	-91.9	23.1	0	0	0	112.8
1024	R	38.5	Very low	35.7	Very low	200 Å²	200	133.7 Å²	133.7	76%	0.755	70%	0.704	S	S	*	*			cis	-173.2	163.2	0.7	-134.1	-175.5	-172.4	-167.5	2.7	111.1
1025	V	38.7	Very low	35.7	Very low	113 Å²	113	136.3 Å²	136.3	69%	0.685	71%	0.712	S	S	*	*			trans	72.6	142.9	151.1	173.3	0	0	0	0	118.5
1026	N	37.6	Very low	35.7	Very low	124 Å²	124	132 Å²	132	66%	0.663	71%	0.707	S	S	*	*			cis	171.4	159.8	-37.9	-108	26.3	0	0	0	109.9
1027	N	36	Very low	35.6	Very low	137 Å²	137	136.9 Å²	136.9	73%	0.733	72%	0.716	S	S	*	*			trans	76.3	149.5	140.3	-75.3	15.6	0	0	0	122.4
1028	V	37.7	Very low	35.7	Very low	110 Å²	110	135.5 Å²	135.5	67%	0.667	72%	0.716	S	S	*	*			cis	-158.6	161.6	-37	-170.5	0	0	0	0	106.5
1029	T	34.7	Very low	35.5	Very low	115 Å²	115	135.3 Å²	135.3	71%	0.706	72%	0.72	S	S	*	*			trans	109.8	101.6	137.5	-16.2	0	0	0	0	120.3
1030	T	30.9	Very low	35.5	Very low	121 Å²	121	141 Å²	141	74%	0.742	74%	0.737	S	S	*	*				16.5	137.4	121.4	-16	0	0	0	0	120.9
1031	V	36.3	Very low	35.5	Very low	122 Å²	122	139.7 Å²	139.7	74%	0.739	74%	0.741	S	S	*	*				177.4	119.3	118.7	151.5	0	0	0	0	112.9
1032	I	34	Very low	35.6	Very low	142 Å²	142	138.1 Å²	138.1	73%	0.728	75%	0.75	S	S	*	*			trans	27.4	140.6	136.9	-28.4	177.6	0	0	0	122.5
1033	S	33.7	Very low	35.5	Very low	91 Å²	91	135.1 Å²	135.1	64%	0.636	75%	0.752	S	S	*	*			trans	87.2	124.4	141.8	36	0	0	0	0	123.6
1034	D	35.2	Very low	35.4	Very low	147 Å²	147	135.9 Å²	135.9	79%	0.786	77%	0.766	S	S	*	*			trans	85.6	113.6	132.7	-57.2	-8.3	0	0	0	124
1035	E	33.3	Very low	35.2	Very low	189 Å²	189	134.5 Å²	134.5	88%	0.883	77%	0.768	S	S	*	*			trans	71.3	143.7	137.3	-63.9	-164.3	146.5	0	0	124.1
1036	A	36.4	Very low	35	Very low	86 Å²	86	139.3 Å²	139.3	71%	0.711	78%	0.78	S	S	*	*			trans	83.9	93.5	152.9	0	0	0	0	0	122
1037	Q	33.1	Very low	34.8	Very low	181 Å²	181	136.8 Å²	136.8	85%	0.846	78%	0.784	S	S	*	*				73.2	147.9	128.6	-61.1	-175.4	-0.2	0	0	122.8
1038	T	35.4	Very low	34.8	Very low	121 Å²	121	137.8 Å²	137.8	74%	0.742	79%	0.789	S	S	*	*			trans	83.1	105.4	162.3	63.1	0	0	0	0	121
1039	N	32.1	Very low	34.6	Very low	155 Å²	155	140.1 Å²	140.1	83%	0.829	80%	0.797	S	S	*	*			trans	40.1	115.4	132.2	-56.8	-8.9	0	0	0	120.8
1040	Q	34.2	Very low	34.6	Very low	204 Å²	204	142.5 Å²	142.5	95%	0.953	80%	0.804	S	S	*	*				-159.3	131.2	121.1	-111.7	165.9	30.9	0	0	112.2
1041	T	36.4	Very low	34.7	Very low	144 Å²	144	139.7 Å²	139.7	88%	0.883	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-89.8	141.4	176.2	25.4	0	0	0	0	111.1
1042	A	36.7	Very low	34.7	Very low	94 Å²	94	142.8 Å²	142.8	78%	0.777	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-104	139.8	167	0	0	0	0	0	109.8
1043	P	35.6	Very low	34.7	Very low	113 Å²	113	139.5 Å²	139.5	73%	0.734	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-86.1	148.8	179.6	34.5	-33.6	0	0	0	111.9
1044	T	36.4	Very low	34.9	Very low	145 Å²	145	139.8 Å²	139.8	89%	0.89	82%	0.819	S	S	*	*			trans	-106	103.8	164.9	-52.8	0	0	0	0	108.4
1045	E	34.3	Very low	35.1	Very low	170 Å²	170	141.9 Å²	141.9	79%	0.794	82%	0.824	S	S	*	*			trans	-82.9	130.2	169.5	-65.7	-179.7	158.7	0	0	109.9
1046	F	35.4	Very low	35.1	Very low	215 Å²	215	141.7 Å²	141.7	94%	0.943	82%	0.821	S	S	*	*			trans	-142.9	112.8	146.1	-121.8	-83.7	0	0	0	106.8
1047	G	34.1	Very low	35.2	Very low	71 Å²	71	145.5 Å²	145.5	73%	0.732	83%	0.829	S	S	*	*			trans	-96.7	169.2	-155.3	0	0	0	0	0	116.5
1048	D	34.9	Very low	35.2	Very low	158 Å²	158	142.7 Å²	142.7	85%	0.845	82%	0.819	S	S	*	*			trans	-71.9	163	174.7	-50.8	-73.4	0	0	0	113.8
1049	L	33.4	Very low	35.7	Very low	159 Å²	159	142.5 Å²	142.5	83%	0.832	82%	0.82	S	S	*	*			trans	-157.2	129.1	150.2	-124.9	87.3	0	0	0	104.5
1050	L	35.6	Very low	35.8	Very low	164 Å²	164	139.6 Å²	139.6	86%	0.859	81%	0.812	S	S	*	*			cis	-147.3	160.5	13.9	-66.7	149.7	0	0	0	107.2
1051	G	33.2	Very low	36.1	Very low	62 Å²	62	137.6 Å²	137.6	64%	0.639	81%	0.807	S	S	*	*			cis	168.1	-178	0.9	0	0	0	0	0	110.1
1052	L	34.6	Very low	36.3	Very low	188 Å²	188	136 Å²	136	98%	0.984	80%	0.797	S	S	*	*			trans	73.6	129.3	-179.5	-41.9	174.5	0	0	0	115.2
1053	G	34.3	Very low	36.2	Very low	72 Å²	72	142.7 Å²	142.7	74%	0.742	80%	0.802	S	S	*	*			cis	157.4	131.1	-9.6	0	0	0	0	0	112.7
1054	A	39	Very low	36.3	Very low	97 Å²	97	142 Å²	142	80%	0.802	80%	0.8	S	S	*	*			trans	64.1	151.4	173.9	0	0	0	0	0	117
1055	E	38.5	Very low	36.4	Very low	191 Å²	191	142.3 Å²	142.3	89%	0.893	79%	0.792	S	S	*	*			cis	-152.7	155.2	-10.6	-120.6	167.4	175.1	0	0	108.4
1056	F	33.7	Very low	36.5	Very low	185 Å²	185	142 Å²	142	81%	0.811	79%	0.79	S	S	*	*			trans	-103.1	145.1	-178.5	-112.6	-89.7	0	0	0	111.1	I1058	F1056-I1058 HydrophobicContact CD1-CD1 3.91Å; F1056-I1058 HydrophobicContact CD1-CG1 3.88Å; F1056-I1058 HydrophobicContact CE1-CD1 4.2Å; F1056-I1058 HydrophobicContact CE1-CG1 4.38Å
1057	D	37.7	Very low	36.5	Very low	166 Å²	166	136.1 Å²	136.1	89%	0.888	78%	0.776	S	S	*	*			trans	-141.1	137.2	160.1	-121.1	-23.8	0	0	0	111
1058	I	34.7	Very low	36.8	Very low	122 Å²	122	142 Å²	142	63%	0.626	78%	0.781	S	S	*	*			trans	-136.9	142.9	-169.2	-58.5	172.6	0	0	0	109.8	F1056	F1056-I1058 HydrophobicContact CD1-CD1 3.91Å; F1056-I1058 HydrophobicContact CD1-CG1 3.88Å; F1056-I1058 HydrophobicContact CE1-CD1 4.2Å; F1056-I1058 HydrophobicContact CE1-CG1 4.38Å
1059	P	44	Very low	36.7	Very low	118 Å²	118	140 Å²	140	77%	0.766	78%	0.78	S	S	*	*			trans	-134.6	114.4	139.3	32.5	-18.5	0	0	0	111.1
1060	S	35	Very low	37.1	Very low	93 Å²	93	138.1 Å²	138.1	65%	0.65	78%	0.78	S	S	*	*				75.3	99.3	59.5	80	0	0	0	0	114.9
1061	D	39.9	Very low	37.2	Very low	162 Å²	162	137.9 Å²	137.9	87%	0.866	78%	0.78	S	S	*	*			trans	165.5	138.2	151.9	-101.5	-15.8	0	0	0	107.8
1062	V	40.5	Very low	37.2	Very low	111 Å²	111	140.4 Å²	140.4	67%	0.673	78%	0.783	S	S	*	*			cis	-155	141.4	29.4	171.4	0	0	0	0	110.4
1063	R	35.4	Very low	37.3	Very low	234 Å²	234	137.9 Å²	137.9	88%	0.883	77%	0.77	S	S	*	*			trans	33.2	149.5	152.2	-67.8	170.9	160.7	159.4	-7.1	120.8
1064	S	38.2	Very low	37.6	Very low	98 Å²	98	142.5 Å²	142.5	69%	0.685	78%	0.778	S	S	*	*			cis	175.2	165.3	5.1	49	0	0	0	0	107.1
1065	E	37.4	Very low	37.7	Very low	152 Å²	152	145.7 Å²	145.7	71%	0.71	78%	0.78	S	S	*	*			cis	-163.7	164.3	4.5	-134.4	179.6	-110.7	0	0	111.2
1066	Q	37.4	Very low	37.6	Very low	163 Å²	163	149.9 Å²	149.9	76%	0.762	80%	0.796	S	S	*	*			trans	62.9	150.3	160.3	-60.6	174.3	41.5	0	0	120.1
1067	S	34.7	Very low	37.8	Very low	93 Å²	93	148.2 Å²	148.2	65%	0.65	80%	0.795	S	S	*	*			cis	-172.7	159.3	-47.3	53.4	0	0	0	0	109.9
1068	K	40.3	Very low	37.8	Very low	193 Å²	193	147.2 Å²	147.2	84%	0.839	79%	0.79	S	S	*	*			trans	82.8	114	179.8	-53.1	171.9	-178.8	174.6	0	114.7
1069	S	34.1	Very low	37.9	Very low	117 Å²	117	148.6 Å²	148.6	82%	0.818	80%	0.799	S	S	*	*			cis	88.5	97.3	25.5	89.5	0	0	0	0	116.5
1070	S	40.8	Very low	37.6	Very low	119 Å²	119	150.4 Å²	150.4	83%	0.832	80%	0.801	S	S	*	*			trans	-154.1	135.5	148.4	54	0	0	0	0	110.3
1071	N	37.6	Very low	37.7	Very low	159 Å²	159	154 Å²	154	85%	0.85	81%	0.811	S	S	*	*			trans	-52.5	158.2	-162.7	-67.3	-6.7	0	0	0	118.9
1072	T	33.3	Very low	37.6	Very low	115 Å²	115	153.5 Å²	153.5	71%	0.706	81%	0.807	S	S	*	*			trans	-52.1	155.8	150.9	54.4	0	0	0	0	113
1073	D	36.8	Very low	37.4	Very low	136 Å²	136	156.5 Å²	156.5	73%	0.727	82%	0.816	S	S	*	*				155.8	96.5	125.7	-77.8	-2.8	0	0	0	110
1074	N	41.5	Very low	37.5	Very low	169 Å²	169	150.5 Å²	150.5	90%	0.904	81%	0.811	S	S	*	*				-179.6	111.7	126.7	-91.5	-37	0	0	0	109.9
1075	I	39.5	Very low	37.5	Very low	163 Å²	163	154.9 Å²	154.9	84%	0.836	82%	0.822	S	S	*	*			trans	-88.5	127.9	169.6	-68.5	165.6	0	0	0	107.6
1076	F	36.5	Very low	37.5	Very low	280 Å²	280	155.2 Å²	155.2	100%	1.228	83%	0.832	S	S	*	*			trans	-156.4	0	144.2	-109	-68.3	0	0	0	109.7

Retrieved 1,076 of 1,076 residues in 305.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).