A0A077YY35_TRITR Loading...

WD40 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YY35, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,581 aa.

						>A0A077YY35_TRITR|A0A077YY35
MVEKELRAADGQGVPKSPSTSGVRSPLRDNVVGDFSPALLHVPSKHRTGARAFYMVQLETVIGLTADSSAALDCRQTDGTVAYPAGCTVVLLSADGASQSHIVSSSKKAVTSLSFSPDGRYLATAECGHQPAVRIWDLNDQSLAAELFGHTFGIACVLFSPNMRYFISVGNEHDLVVNVWDWKNGLKVASNKVACKVMAASFSEGGEYFVTAGVRHVKFWYLERSRAAVKLQENGVPLQGRSAILADQRNNNFRDVCCGRGDLASNTYAITQLGLLCQFNSRRQLEKWVELKAGSAGSMCLSDETIFVGCSDGILRVFDARSLHYIATLPKPHYLGVDVAAGLDGSHMMSFPVGASFPDIVAVTIHVSSKKVIFFHFEIPHKRLEFQLTCIYSDHSLYMWDVADFKQVGKVASLLAHSGSIWAVDTCFPVNKSEKSAVSLIPPGTFVTCSTDDTIRIWSVDGEARCPYEEGSRSLCHANIYSNELMKIIYCDPDLVCLRDAEMSNADAKEKTEYHLDGRSGVRSIKVSPDCHHLASGDRNGNIRIYSMEDLSLLHDLQAHDGDVLCLEYCPYGSGLLASASRDRLLHVLDVSRHYEPVCTIDDHSSSITSVKFVQVNGELRLLSCGADKSIVYRRLVAGNHLGDVQVQRIRCISGATSYYDIEVDEAADSVYAACQDRQVRVYTLSDGKQKACIKGSLAEDGTVIKVELDPSGSFIATSSSDKNVYVFDVYNGNCVAVLGGHGELVTGIKFLYDCRHLVTVSGDSCIFVWQLDQCLSKAIMSRLGSKSPYSPTDVAGSNLEWNISNHFDKNAQMASSYPPNGKPSKNLNNLQANDDDSLMLGDVPKADDNALTFSGKWSRHMAPDKDHSDSLDKAFEGCSPEGQLLPPSADKSAQSPLVFYLQSAECEDDVKESEFKVNARSDMLKMGSQTLDTVPLADGSDEEHQSSRQMGGEKMKNGETSSSHFLDVRLGDSMETTRCTRLDVLDPCQSSGDAAMVDASPFNRNATNRQSLTSRFLNRSGADVRKPIQHWPRAWHSPIATHTDSQSRPSTSPSLASSLSAPSSMERPESDRISGLKSFVACKRDRNEDIGQIPSTSSSFGSAAAASSSSSHGLDRVRRRETYEQSELHARSRSPAYSLTHGRDSVLSELCKTLLAQELLSPDRHRLGKYASSLGDRSHLTASAPPGLLKNSISMMSLSPFSNDRRQTTTMKRLSNIREKLRKSQENLASAWEGSSQEALSSGLMNRSRSTASLQRGISTTSLNSGQEPLPIGSRRHLARSVGYLPTGTDEPWVPRQLSETLRDLERLSRTDLTGDLEQPQKSVPKSYTRSITLPRFYRVSGPAQRKAHQVLSGCRTPTEKLSVGDSEESQENCILSSTQSPTSSSLHRYASPRRRHGSNVSAVERFYEKCRSPVSGRELRLSDSTTQRLFESLPGKRQSYLSKLLLQSPGSSAEAVVGRFGAKSRFGSPLHSSDIDFDRRRQFLDAEDIHYEKMDGHCKESADGFMKALDKVLHAFNMILEDGDLGDEQKEHLVALLTPKLELAQKRLTLALRQASEVPVRLEPVGDTADDVSHGTERF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.5	Very low	31.8	Very low	238 Å²	238	153.5 Å²	153.5	100%	1.172	80%	0.797	S	S	*	*				0	109	0	179	176.4	177.4	0	0	105.8
2	V	29.3	Very low	31.9	Very low	133 Å²	133	155.1 Å²	155.1	81%	0.806	80%	0.797	S	S	*	*			cis	-122.9	120.3	7.2	176.8	0	0	0	0	110.2
3	E	27.6	Very low	32.1	Very low	193 Å²	193	147.4 Å²	147.4	90%	0.902	78%	0.78	S	S	*	*			trans	-153.2	90.7	151.8	-165.7	173.8	-134	0	0	108.2
4	K	29.6	Very low	32.5	Very low	196 Å²	196	143.7 Å²	143.7	85%	0.852	77%	0.765	S	S	*	*			trans	-168.7	85.8	178.2	-139	-173.8	-170.8	-175.2	0	111.6
5	E	31.7	Very low	32.8	Very low	191 Å²	191	139.9 Å²	139.9	89%	0.893	75%	0.752	S	S	*	*			trans	-173.6	118.1	148.1	-112.5	168.9	-163.8	0	0	111.3
6	L	32.6	Very low	32.8	Very low	174 Å²	174	138.8 Å²	138.8	91%	0.911	74%	0.738	S	S	*	*			trans	170.3	73.6	147.6	-96.3	167.3	0	0	0	110.7
7	R	32.1	Very low	33	Very low	256 Å²	256	136.6 Å²	136.6	97%	0.966	74%	0.736	S	S	*	*			trans	-163.8	103	158.6	-107.4	166.8	-154.9	-146.9	4.3	108.4
8	A	34.1	Very low	33.3	Very low	99 Å²	99	135 Å²	135	82%	0.818	74%	0.735	S	S	*	*			trans	-108	162	-178.4	0	0	0	0	0	111.6
9	A	35.4	Very low	33.2	Very low	98 Å²	98	133.5 Å²	133.5	81%	0.81	74%	0.735	S	S	*	*			trans	70.4	139	-179	0	0	0	0	0	114.9
10	D	34	Very low	33.3	Very low	103 Å²	103	133.1 Å²	133.1	55%	0.551	74%	0.737	S	S	*	*			cis	-160.7	-176.9	5	-147.4	-17.1	0	0	0	114.7	S1354 G1355 C1356	D10-S1354 WeakPolarHBondContact O-CB 3.24Å; D10-G1355 CarbonylContact O-C 3.56Å; D10-G1355 WeakPolarHBondContact O-CA 3.46Å; D10-C1356 PolarHBondContact O-N 3.15Å; D10-C1356 PolarHBondContact O-SG 3.48Å; D10-C1356 VanDerWaalsContact O-SG 3.38Å
11	G	34.6	Very low	33.1	Very low	8 Å²	8	132.4 Å²	132.4	8%	0.082	74%	0.741	C	S	.	*			trans	30.9	101.8	159.7	0	0	0	0	0	130.5	S1354 G1355 C1356	G11-S1354 CarbonylContact O-C 3.57Å; G11-S1354 VanDerWaalsContact O-C 3.3Å; G11-S1354 WeakPolarHBondContact O-CB 3.42Å; G11-S1354 PolarHBondContact O-OG 3.32Å; G11-S1354 VanDerWaalsContact O-OG 3.11Å; G11-G1355 CarbonylContact O-C 2.96Å; G11-G1355 WeakPolarHBondContact O-CA 3.13Å; G11-G1355 PolarHBondContact O-N 2.98Å; G11-C1356 VanDerWaalsContact CA-SG 3.56Å; G11-C1356 PolarHBondContact N-SG 3.14Å; G11-C1356 PolarHBondContact O-N 3.3Å
12	Q	33.8	Very low	33.2	Very low	172 Å²	172	124.8 Å²	124.8	80%	0.804	72%	0.724	S	S	*	*			trans	68.5	124.5	135.7	-52.1	171.6	38.1	0	0	126.9	C1356	Q12-C1356 CarbonylContact C-O 3.58Å; Q12-C1356 WeakPolarHBondContact CA-O 3.44Å
13	G	34.1	Very low	33.2	Very low	55 Å²	55	125.6 Å²	125.6	57%	0.567	73%	0.729	S	S	*	*			trans	125.7	118.8	156.3	0	0	0	0	0	118.1	C1356 R1357	G13-C1356 PolarHBondContact N-O 2.66Å; G13-R1357 CarbonylContact C-O 3.27Å; G13-R1357 VanDerWaalsContact C-O 3.27Å
14	V	37.7	Very low	33.2	Very low	96 Å²	96	127.9 Å²	127.9	58%	0.582	73%	0.729	S	S	*	*			cis	93.6	129.6	4.4	-170.7	0	0	0	0	117	R1357	V14-R1357 HydrophobicContact CG2-CB 3.92Å; V14-R1357 WeakPolarHBondContact CG2-O 2.98Å; V14-R1357 PolarHBondContact N-O 3.05Å; V14-R1357 VanDerWaalsContact N-O 3.1Å
15	P	36.3	Very low	33.2	Very low	87 Å²	87	123.1 Å²	123.1	57%	0.565	72%	0.72	S	S	*	*			cis	-148.8	170.4	-29	46.5	-27.6	0	0	0	120.5	P1359	P15-P1359 VanDerWaalsContact CA-CG 3.5Å; P15-P1359 HydrophobicContact CB-CB 3.41Å; P15-P1359 VanDerWaalsContact CB-CB 3.41Å; P15-P1359 HydrophobicContact CB-CG 3.52Å
16	K	33.8	Very low	33.1	Very low	121 Å²	121	120 Å²	120	53%	0.526	72%	0.717	S	S	.	*			trans	50	159.1	137.9	-78	175.2	166.9	162.7	0	123.6	P1359 T1360 E1361	K16-P1359 HydrophobicContact CD-CB 3.9Å; K16-P1359 WeakPolarHBondContact CE-O 3.29Å; K16-P1359 HydrophobicContact CG-CB 3.87Å; K16-P1359 HydrophobicContact CG-CG 4.26Å; K16-P1359 PolarHBondContact NZ-O 3.29Å; K16-P1359 VanDerWaalsContact NZ-O 3.15Å; K16-T1360 VanDerWaalsContact NZ-C 3.3Å; K16-T1360 PolarHBondContact NZ-O 2.64Å; K16-E1361 PolarHBondContact NZ-O 3.13Å
17	S	35.4	Very low	33	Very low	102 Å²	102	119.8 Å²	119.8	71%	0.713	72%	0.716	S	S	*	*			cis	-164.9	-153.2	-13.4	51.8	0	0	0	0	112.2
18	P	39	Very low	32.8	Very low	108 Å²	108	117.1 Å²	117.1	70%	0.701	71%	0.706	S	S	*	*				-136.5	-168	-109.1	45.8	-25.4	0	0	0	118.7
19	S	31.9	Very low	32.5	Very low	107 Å²	107	120.3 Å²	120.3	75%	0.748	71%	0.709	S	S	*	*			trans	76.4	133.7	161.5	74.3	0	0	0	0	117.7
20	T	33.8	Very low	32.1	Very low	124 Å²	124	121.8 Å²	121.8	76%	0.761	70%	0.703	S	S	*	*				-161.2	156.1	55.7	40.9	0	0	0	0	114.7
21	S	30.6	Very low	31.7	Very low	119 Å²	119	123.5 Å²	123.5	83%	0.832	72%	0.717	S	S	*	*			trans	32.5	119.7	154.2	63	0	0	0	0	122.1
22	G	30.7	Very low	31.4	Very low	79 Å²	79	127.9 Å²	127.9	81%	0.814	74%	0.742	S	S	*	*			trans	-178.3	114.1	161.9	0	0	0	0	0	115.4
23	V	28.4	Very low	31	Very low	150 Å²	150	122 Å²	122	91%	0.909	73%	0.728	S	S	*	*			trans	-72.6	125.2	-180	175	0	0	0	0	112.2
24	R	28.6	Very low	30.5	Very low	241 Å²	241	126.7 Å²	126.7	91%	0.909	74%	0.74	S	S	*	*			trans	-162.7	164.7	148.7	-115	165.7	-173.1	-174.6	0.6	114.2
25	S	28.1	Very low	30.1	Very low	95 Å²	95	128.7 Å²	128.7	66%	0.664	74%	0.741	S	S	*	*			trans	-67.3	154.7	-173.6	47.5	0	0	0	0	114.7
26	P	30.8	Very low	29.5	Very low	126 Å²	126	128.8 Å²	128.8	82%	0.818	74%	0.743	S	S	*	*			trans	-66.9	151.2	168	31.3	-35.3	0	0	0	111.1
27	L	30.4	Very low	29.1	Very low	170 Å²	170	125.6 Å²	125.6	89%	0.89	74%	0.735	S	S	*	*			trans	-117.2	152.1	167.4	-93.9	167.9	0	0	0	109.7
28	R	28.4	Very low	28.7	Very low	200 Å²	200	123.9 Å²	123.9	76%	0.755	73%	0.727	S	S	*	*			trans	-64.3	147	-176.9	-60	165.5	172.5	175.4	-7.7	111.8
29	D	26.6	Very low	28.2	Very low	165 Å²	165	123.9 Å²	123.9	88%	0.882	72%	0.721	S	S	*	*			trans	-135.8	77.7	140.5	-93.1	-40	0	0	0	107.9	V31	D29-V31 PolarHBondContact O-N 2.6Å
30	N	27.8	Very low	28.1	Very low	129 Å²	129	123.1 Å²	123.1	69%	0.69	71%	0.708	S	S	*	*			trans	-79.7	97.9	172.1	-78.2	31.1	0	0	0	108.6	V32	N30-V32 VanDerWaalsContact C-N 3.26Å; N30-V32 HydrophobicContact CB-CG2 4.38Å; N30-V32 PolarHBondContact O-N 2.87Å; N30-V32 VanDerWaalsContact O-N 3.13Å
31	V	26	Very low	27.7	Very low	139 Å²	139	122.4 Å²	122.4	84%	0.842	70%	0.696	S	S	*	*			trans	-81.7	81.8	161.5	-175.6	0	0	0	0	107.7	D29 G33	D29-V31 PolarHBondContact O-N 2.6Å; V31-G33 PolarHBondContact O-N 3.38Å
32	V	26.4	Very low	27.7	Very low	101 Å²	101	120.7 Å²	120.7	61%	0.612	68%	0.68	S	S	*	*			trans	-68.1	120.9	163	-178.2	0	0	0	0	106.2	N30	N30-V32 VanDerWaalsContact C-N 3.26Å; N30-V32 HydrophobicContact CB-CG2 4.38Å; N30-V32 PolarHBondContact O-N 2.87Å; N30-V32 VanDerWaalsContact O-N 3.13Å
33	G	25.6	Very low	27.5	Very low	49 Å²	49	122.2 Å²	122.2	51%	0.505	68%	0.676	S	S	.	*			trans	-96.1	114	171.3	0	0	0	0	0	108.6	V31 F35	V31-G33 PolarHBondContact O-N 3.38Å; G33-F35 WeakPolarHBondContact O-CD2 3.43Å; G33-F35 PolarHBondContact O-N 3.07Å
34	D	24.3	Very low	27.5	Very low	152 Å²	152	119.9 Å²	119.9	81%	0.813	67%	0.666	S	S	*	*			trans	-62.6	118.3	179.5	-53	-52.2	0	0	0	110.2
35	F	28.8	Very low	27.3	Very low	139 Å²	139	117.9 Å²	117.9	61%	0.61	66%	0.663	S	S	*	*			trans	-134.4	99.7	170	-79.8	-81.6	0	0	0	109	G33	G33-F35 WeakPolarHBondContact O-CD2 3.43Å; G33-F35 PolarHBondContact O-N 3.07Å
36	S	23.6	Very low	27.4	Very low	88 Å²	88	121.1 Å²	121.1	62%	0.615	67%	0.668	S	S	*	*			trans	-60.7	153.4	154.8	-53.2	0	0	0	0	109.4
37	P	25.9	Very low	27.2	Very low	54 Å²	54	127.4 Å²	127.4	35%	0.351	68%	0.675	S	S	.	*	S	Bend	trans	-68.5	174.9	172.3	33.4	-37.5	0	0	0	110.8	L39 Q141	P37-L39 PolarHBondContact O-N 2.76Å; P37-Q141 VanDerWaalsContact CD-CB 3.48Å; P37-Q141 HydrophobicContact CG-CB 3.62Å; P37-Q141 HydrophobicContact CG-CG 4.4Å
38	A	27.2	Very low	27.1	Very low	66 Å²	66	125.3 Å²	125.3	55%	0.545	67%	0.67	S	S	.	*	S	Bend	trans	59.8	38.2	-179.1	0	0	0	0	0	115.5	M55	A38-M55 HydrophobicContact CB-CE 3.88Å
39	L	28.9	Very low	27	Very low	108 Å²	108	119.3 Å²	119.3	57%	0.565	67%	0.67	S	S	*	*			trans	-153.8	107.1	156.7	-113.1	173.2	0	0	0	113.2	P37 H41	P37-L39 PolarHBondContact O-N 2.76Å; L39-H41 PolarHBondContact O-N 3.38Å
40	L	28.8	Very low	27.2	Very low	92 Å²	92	116.7 Å²	116.7	48%	0.482	67%	0.671	S	S	.	*			trans	-77.5	60.5	174.2	-112.4	168.2	0	0	0	111.6	V42 V738	L40-V42 PolarHBondContact O-N 3.15Å; L40-V738 HydrophobicContact CB-CB 4.44Å; L40-V738 HydrophobicContact CD1-CB 4.28Å; L40-V738 HydrophobicContact CD1-CG1 3.99Å
41	H	26.9	Very low	27.9	Very low	109 Å²	109	118.6 Å²	118.6	51%	0.505	67%	0.669	S	S	.	*			trans	-79.8	81.5	-169.9	-144.6	92.4	0	0	0	112.6	L39 P43	L39-H41 PolarHBondContact O-N 3.38Å; H41-P43 WeakPolarHBondContact O-CD 3.47Å
42	V	30.1	Very low	29.2	Very low	83 Å²	83	116.3 Å²	116.3	50%	0.503	66%	0.664	S	S	.	*			trans	-60.2	118.9	177.5	-179.2	0	0	0	0	110.5	L40 S44	L40-V42 PolarHBondContact O-N 3.15Å; V42-S44 PolarHBondContact O-N 3.44Å
43	P	26.5	Very low	31.2	Very low	111 Å²	111	115.3 Å²	115.3	72%	0.721	65%	0.652	S	S	*	*			trans	-75.7	86.4	-173.4	29.7	-35.4	0	0	0	111.8	H41 K45	H41-P43 WeakPolarHBondContact O-CD 3.47Å; P43-K45 PolarHBondContact O-N 3.08Å
44	S	27	Very low	33.6	Very low	100 Å²	100	116.7 Å²	116.7	70%	0.699	64%	0.643	S	S	*	*			trans	-66.5	114.1	-177.2	76	0	0	0	0	112.4	V42 H46	V42-S44 PolarHBondContact O-N 3.44Å; S44-H46 PolarHBondContact O-N 2.73Å
45	K	26.3	Very low	36.1	Very low	199 Å²	199	113.9 Å²	113.9	87%	0.865	63%	0.626	S	S	*	*			trans	-81.8	40.8	179.4	-77.8	-177.6	175	171	0	113.8	P43	P43-K45 PolarHBondContact O-N 3.08Å
46	H	30	Very low	38.9	Very low	163 Å²	163	108.1 Å²	108.1	76%	0.755	60%	0.602	S	S	*	*			trans	-140.3	117	169.9	-87.9	-83.7	0	0	0	111.5	S44 T48	S44-H46 PolarHBondContact O-N 2.73Å; H46-T48 PolarHBondContact O-N 2.76Å; H46-T48 VanDerWaalsContact O-N 3.08Å
47	R	25.2	Very low	42.1	Very low	258 Å²	258	108.3 Å²	108.3	97%	0.974	59%	0.593	S	S	*	*			trans	-79.2	80.4	-179.7	-81.3	-177.6	162.1	-176.8	-4.8	112.5
48	T	28.1	Very low	45.3	Very low	127 Å²	127	107.1 Å²	107.1	78%	0.779	58%	0.584	S	S	*	*	S	Bend	trans	-150.3	102.3	165.7	39.1	0	0	0	0	109.9	H46	H46-T48 PolarHBondContact O-N 2.76Å; H46-T48 VanDerWaalsContact O-N 3.08Å
49	G	28	Very low	48.4	Very low	74 Å²	74	107.5 Å²	107.5	76%	0.763	57%	0.574	S	S	*	*			trans	76.7	130.7	176	0	0	0	0	0	114.8	R51	G49-R51 PolarHBondContact O-N 3.25Å
50	A	29.6	Very low	51.5	Low	109 Å²	109	104 Å²	104	90%	0.901	56%	0.558	S	S	*	*			trans	-78.1	114.6	166	0	0	0	0	0	108.4
51	R	43.4	Very low	54.7	Low	169 Å²	169	99.7 Å²	99.7	64%	0.638	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-76.2	122	173.2	-81.1	178.6	159.5	149.5	-8.1	109.3	G49 F53 N734	G49-R51 PolarHBondContact O-N 3.25Å; R51-F53 HydrophobicContact CB-CE2 4.24Å; R51-F53 PolarHBondContact O-N 3.46Å; R51-N734 PolarHBondContact NE-OD1 2.93Å; R51-N734 PolarHBondContact NH2-OD1 2.98Å
52	A	52.4	Low	57.9	Low	91 Å²	91	94.9 Å²	94.9	75%	0.752	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-74.8	119.8	166.3	0	0	0	0	0	108.7
53	F	69.1	Low	61	Low	80 Å²	80	90.9 Å²	90.9	35%	0.351	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-95.1	145.4	163.1	-70.4	-93.3	0	0	0	108	R51 V736 V738	R51-F53 HydrophobicContact CB-CE2 4.24Å; R51-F53 PolarHBondContact O-N 3.46Å; F53-V736 CarbonylContact C-O 3.58Å; F53-V736 VanDerWaalsContact CA-O 3.31Å; F53-V736 WeakPolarHBondContact CA-O 3.44Å; F53-V738 HydrophobicContact CE1-CG2 4.46Å
54	Y	75.6	Confident	64.2	Low	79 Å²	79	85.6 Å²	85.6	31%	0.31	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-79.2	141.8	172.1	-68.4	-57.2	0	0	0	110.3	V56 V736 D773 C775 L776	Y54-V56 VanDerWaalsContact C-N 3.3Å; Y54-V56 PolarHBondContact O-N 3.22Å; Y54-V736 HydrophobicContact CD2-CB 3.8Å; Y54-V736 HydrophobicContact CD2-CG2 4.09Å; Y54-V736 HydrophobicContact CE2-CB 4.13Å; Y54-V736 HydrophobicContact CE2-CG1 4.4Å; Y54-V736 PolarHBondContact N-O 3.12Å; Y54-D773 HydrophobicContact CD1-CB 4.35Å; Y54-D773 HydrophobicContact CG-CB 4.33Å; Y54-C775 HydrophobicContact CD1-CB 4.07Å; Y54-C775 HydrophobicContact CE1-CB 3.64Å; Y54-L776 HydrophobicContact CD2-CB 4.15Å; Y54-L776 HydrophobicContact CD2-CD1 4.04Å; Y54-L776 HydrophobicContact CD2-CG 4.49Å; Y54-L776 HydrophobicContact CE2-CD1 4.22Å; Y54-L776 HydrophobicContact CG-CB 4.21Å
55	M	76.6	Confident	67.4	Low	92 Å²	92	81.6 Å²	81.6	45%	0.453	43%	0.425	S	S	.	.			trans	-85.9	73.3	-179.2	-165.8	178.5	-172.2	0	0	110.4	A38 Q57 D773	A38-M55 HydrophobicContact CB-CE 3.88Å; M55-Q57 HydrophobicContact CG-CG 4.13Å; M55-Q57 PolarHBondContact SD-NE2 3.08Å; M55-D773 PolarHBondContact N-OD2 3.17Å
56	V	87.8	Confident	70.5	Confident	19 Å²	19	72.1 Å²	72.1	12%	0.115	38%	0.384	C	S	.	.			trans	-70.5	127.8	167	-179	0	0	0	0	108.3	Y54 A737 L739 W770 Q771 L772 L776	Y54-V56 VanDerWaalsContact C-N 3.3Å; Y54-V56 PolarHBondContact O-N 3.22Å; V56-A737 HydrophobicContact CB-CB 4.33Å; V56-A737 HydrophobicContact CG2-CB 3.73Å; V56-L739 HydrophobicContact CB-CD2 3.64Å; V56-L739 HydrophobicContact CG1-CD1 4.25Å; V56-L739 HydrophobicContact CG1-CD2 3.48Å; V56-L739 VanDerWaalsContact CG1-CD2 3.48Å; V56-L739 HydrophobicContact CG2-CD2 4.4Å; V56-W770 HydrophobicContact CG1-CB 3.9Å; V56-W770 HydrophobicContact CG1-CE3 4.45Å; V56-Q771 WeakPolarHBondContact CA-O 3.38Å; V56-Q771 WeakPolarHBondContact CG1-O 3.48Å; V56-L772 HydrophobicContact CG1-CD2 4.22Å; V56-L772 HydrophobicContact CG2-CD2 4.23Å; V56-L776 HydrophobicContact CG2-CD2 3.96Å
57	Q	90.8	Very high	73.2	Confident	91 Å²	91	67.7 Å²	67.7	43%	0.425	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	152.6	-175.6	-59.9	-172.9	6.8	0	0	110.8	M55 W770 Q771	M55-Q57 HydrophobicContact CG-CG 4.13Å; M55-Q57 PolarHBondContact SD-NE2 3.08Å; Q57-W770 CarbonylContact O-C 3.57Å; Q57-W770 VanDerWaalsContact O-CA 3.25Å; Q57-W770 WeakPolarHBondContact O-CA 3.41Å; Q57-Q771 PolarHBondContact N-O 3.18Å; Q57-Q771 PolarHBondContact O-N 2.83Å
58	L	93.8	Very high	76.3	Confident	30 Å²	30	55.9 Å²	55.9	16%	0.157	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	118.8	169	-177.9	58.1	0	0	0	107.6	V61 H101 F768 W770	L58-V61 HydrophobicContact CD1-CG2 4.14Å; L58-V61 HydrophobicContact CD2-CG2 3.83Å; L58-V61 HydrophobicContact CG-CG2 4.18Å; L58-H101 HydrophobicContact CD2-CB 4.16Å; L58-F768 HydrophobicContact CD1-CB 3.78Å; L58-F768 HydrophobicContact CD1-CD2 3.48Å; L58-F768 VanDerWaalsContact CD1-CD2 3.48Å; L58-F768 HydrophobicContact CD1-CE2 4.36Å; L58-F768 HydrophobicContact CD1-CG 3.89Å; L58-F768 HydrophobicContact CD2-CD2 3.64Å; L58-F768 HydrophobicContact CD2-CE2 3.66Å; L58-F768 HydrophobicContact CG-CD2 4.23Å; L58-W770 HydrophobicContact CB-CE3 3.92Å; L58-W770 HydrophobicContact CB-CH2 4.31Å; L58-W770 HydrophobicContact CB-CZ3 3.72Å; L58-W770 HydrophobicContact CD1-CD2 4.13Å; L58-W770 HydrophobicContact CD1-CE3 4.19Å; L58-W770 HydrophobicContact CD1-CH2 4.29Å; L58-W770 HydrophobicContact CD1-CZ2 4.25Å; L58-W770 HydrophobicContact CD1-CZ3 4.28Å; L58-W770 HydrophobicContact CD2-CH2 4.49Å; L58-W770 HydrophobicContact CG-CZ3 4.44Å
59	E	92.3	Very high	79.4	Confident	73 Å²	73	50.8 Å²	50.8	34%	0.341	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-47.7	-172.9	178.8	165.8	-160.4	0	0	111.9	H757 V769 Q771	E59-H757 IonicContact OE2-CD2 2.93Å; E59-H757 PolarHBondContact OE2-CD2 2.72Å; E59-H757 IonicContact OE2-NE2 2.71Å; E59-H757 PolarHBondContact OE2-NE2 3.15Å; E59-V769 PolarHBondContact N-O 3.34Å; E59-Q771 HydrophobicContact CB-CB 4.25Å; E59-Q771 PolarHBondContact OE1-NE2 2.97Å; E59-Q771 WeakPolarHBondContact OE2-CB 3.15Å; E59-Q771 PolarHBondContact OE2-NE2 3.45Å
60	T	93.3	Very high	82.6	Confident	36 Å²	36	48 Å²	48	22%	0.221	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	139.1	-179.4	-54	0	0	0	0	110.5	I62 V769	T60-I62 HydrophobicContact CG2-CG1 3.98Å; T60-V769 PolarHBondContact N-O 3.04Å; T60-V769 PolarHBondContact O-N 3.4Å
61	V	95.7	Very high	85.7	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	122.5	166.4	175.6	0	0	0	0	109	L58 A85 V90 Q99 F768	L58-V61 HydrophobicContact CD1-CG2 4.14Å; L58-V61 HydrophobicContact CD2-CG2 3.83Å; L58-V61 HydrophobicContact CG-CG2 4.18Å; V61-A85 HydrophobicContact CG1-CB 3.65Å; V61-V90 HydrophobicContact CB-CG2 3.86Å; V61-V90 HydrophobicContact CG1-CG2 3.98Å; V61-V90 HydrophobicContact CG2-CG2 4.36Å; V61-Q99 PolarHBondContact O-NE2 2.73Å; V61-Q99 PolarHBondContact O-OE1 3.42Å; V61-F768 HydrophobicContact CB-CD1 4.49Å; V61-F768 HydrophobicContact CB-CE1 4.47Å; V61-F768 HydrophobicContact CG1-CD1 3.96Å; V61-F768 HydrophobicContact CG1-CE1 3.7Å; V61-F768 HydrophobicContact CG1-CZ 4.39Å; V61-F768 HydrophobicContact CG2-CD1 3.95Å; V61-F768 HydrophobicContact CG2-CD2 4.16Å; V61-F768 HydrophobicContact CG2-CE1 3.92Å; V61-F768 HydrophobicContact CG2-CE2 4.12Å; V61-F768 HydrophobicContact CG2-CG 4.08Å; V61-F768 HydrophobicContact CG2-CZ 4.01Å
62	I	95.2	Very high	88.2	Confident	8 Å²	8	35.2 Å²	35.2	4%	0.041	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	87.6	175.1	-56.9	174.4	0	0	0	106.1	T60 L414 W458 E484 I767	T60-I62 HydrophobicContact CG2-CG1 3.98Å; I62-L414 HydrophobicContact CB-CD1 4.48Å; I62-L414 HydrophobicContact CG2-CD1 3.74Å; I62-W458 HydrophobicContact CD1-CE3 4.37Å; I62-W458 HydrophobicContact CG2-CE3 3.96Å; I62-W458 HydrophobicContact CG2-CH2 3.67Å; I62-W458 HydrophobicContact CG2-CZ2 4.42Å; I62-W458 HydrophobicContact CG2-CZ3 3.41Å; I62-W458 VanDerWaalsContact CG2-CZ3 3.41Å; I62-E484 HydrophobicContact CD1-CB 4.05Å; I62-E484 HydrophobicContact CD1-CG 4.14Å; I62-I767 HydrophobicContact CB-CB 4.18Å; I62-I767 HydrophobicContact CG2-CD1 4.31Å; I62-I767 PolarHBondContact N-O 3.49Å; I62-I767 PolarHBondContact O-N 3.17Å
63	G	94	Very high	90.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.166	C	C	.	.			trans	163.8	150.5	-173.7	0	0	0	0	0	112.9
64	L	95.3	Very high	91.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.153	C	C	.	.			trans	-143.6	158.6	170.8	68	82.7	0	0	0	110.4	Y83 P84 I391 H395 L397	L64-Y83 HydrophobicContact CB-CD2 3.71Å; L64-Y83 HydrophobicContact CB-CE2 3.88Å; L64-P84 CarbonylContact C-O 3.58Å; L64-P84 WeakPolarHBondContact CA-O 3.47Å; L64-I391 HydrophobicContact CD1-CG2 3.7Å; L64-I391 HydrophobicContact CD2-CD1 4.15Å; L64-I391 HydrophobicContact CD2-CG1 4.14Å; L64-I391 HydrophobicContact CD2-CG2 4.04Å; L64-H395 HydrophobicContact CD1-CB 3.95Å; L64-H395 WeakPolarHBondContact CD2-O 3.34Å; L64-H395 HydrophobicContact CG-CB 4.12Å; L64-H395 PolarHBondContact O-ND1 3.44Å; L64-L397 HydrophobicContact CD2-CB 3.79Å; L64-L397 HydrophobicContact CD2-CD1 4.31Å
65	T	93.3	Very high	92.4	Very high	15 Å²	15	27.8 Å²	27.8	9%	0.092	15%	0.146	C	C	.	.			trans	-138.5	28.2	-179.2	65.5	0	0	0	0	112.7	P84 G86 D764	T65-P84 PolarHBondContact N-O 3.2Å; T65-P84 PolarHBondContact OG1-O 2.7Å; T65-G86 VanDerWaalsContact CG2-N 3.35Å; T65-G86 PolarHBondContact OG1-N 2.85Å; T65-D764 HydrophobicContact CG2-CB 4.47Å; T65-D764 VanDerWaalsContact CG2-O 3.29Å; T65-D764 WeakPolarHBondContact CG2-O 3.17Å
66	A	92	Very high	93	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.146	C	C	.	.			trans	-77.9	118.1	179.9	0	0	0	0	0	111.1	A71 P84 I391 M503	A66-A71 HydrophobicContact CB-CB 3.84Å; A66-P84 HydrophobicContact CB-CG 4.22Å; A66-I391 HydrophobicContact CB-CD1 3.81Å; A66-M503 VanDerWaalsContact O-CE 3.27Å; A66-M503 WeakPolarHBondContact O-CE 3.41Å
67	D	86.7	Confident	93	Very high	71 Å²	71	31 Å²	31	38%	0.38	16%	0.164	S	C	.	.			trans	-99.1	-1.5	-176	68.7	1.4	0	0	0	114.6	M503	D67-M503 HydrophobicContact CB-SD 4.34Å
68	S	90.4	Very high	92.9	Very high	10 Å²	10	29.9 Å²	29.9	7%	0.07	16%	0.161	C	C	.	.	S	Bend	trans	-166.7	160.5	-167.3	55.6	0	0	0	0	112	A70 A71	S68-A70 PolarHBondContact O-N 3.04Å; S68-A71 WeakPolarHBondContact O-CB 3.46Å; S68-A71 PolarHBondContact O-N 3.3Å
69	S	92.8	Very high	92.7	Very high	20 Å²	20	28.6 Å²	28.6	14%	0.14	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-61	-20.7	171.9	48.9	0	0	0	0	113.8	A71 L72 D255	S69-A71 PolarHBondContact O-N 3.35Å; S69-L72 PolarHBondContact O-N 2.88Å; S69-D255 VanDerWaalsContact CB-OD2 3.26Å; S69-D255 WeakPolarHBondContact CB-OD2 3.33Å; S69-D255 PolarHBondContact OG-OD2 2.99Å
70	A	94	Very high	92.8	Very high	16 Å²	16	25.9 Å²	25.9	13%	0.132	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-69.9	-10.1	173.5	0	0	0	0	0	113.9	S68 S112 L113 A155	S68-A70 PolarHBondContact O-N 3.04Å; A70-S112 CarbonylContact O-C 3.59Å; A70-S112 WeakPolarHBondContact O-CA 3.38Å; A70-S112 VanDerWaalsContact O-CB 3.25Å; A70-S112 WeakPolarHBondContact O-CB 3.4Å; A70-S112 PolarHBondContact O-OG 2.91Å; A70-L113 PolarHBondContact O-N 2.87Å; A70-A155 WeakPolarHBondContact CB-O 3.17Å
71	A	94.9	Very high	92.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-106.8	7.3	-178.4	0	0	0	0	0	114.1	A66 S68 S69 P84	A66-A71 HydrophobicContact CB-CB 3.84Å; S68-A71 WeakPolarHBondContact O-CB 3.46Å; S68-A71 PolarHBondContact O-N 3.3Å; S69-A71 PolarHBondContact O-N 3.35Å; A71-P84 HydrophobicContact CB-CG 4.13Å; A71-P84 WeakPolarHBondContact O-CD 3.43Å
72	L	96.8	Very high	93	Very high	9 Å²	9	24.2 Å²	24.2	5%	0.047	13%	0.133	C	C	.	.			trans	-133	125.7	178	174.9	64.7	0	0	0	109.5	S69 V81 A362 T364 I391	S69-L72 PolarHBondContact O-N 2.88Å; L72-V81 HydrophobicContact CD1-CG1 3.47Å; L72-V81 VanDerWaalsContact CD1-CG1 3.47Å; L72-A362 HydrophobicContact CB-CB 3.88Å; L72-A362 HydrophobicContact CD2-CB 3.67Å; L72-A362 HydrophobicContact CG-CB 4.43Å; L72-T364 HydrophobicContact CD1-CG2 4.08Å; L72-T364 HydrophobicContact CD2-CG2 3.97Å; L72-T364 HydrophobicContact CG-CG2 3.71Å; L72-I391 HydrophobicContact CB-CD1 4.36Å; L72-I391 HydrophobicContact CD1-CD1 3.99Å; L72-I391 HydrophobicContact CD2-CD1 4.09Å; L72-I391 HydrophobicContact CD2-CG1 4.11Å; L72-I391 HydrophobicContact CG-CD1 4.37Å
73	D	96.4	Very high	93.1	Very high	39 Å²	39	23.9 Å²	23.9	21%	0.209	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	161.6	177	-162.3	8.9	0	0	0	111.1	A82 L113 S114 F115	D73-A82 PolarHBondContact N-O 3.06Å; D73-A82 PolarHBondContact O-N 3.33Å; D73-L113 HydrophobicContact CB-CD1 3.52Å; D73-S114 VanDerWaalsContact OD2-CA 3.31Å; D73-S114 WeakPolarHBondContact OD2-CA 3.39Å; D73-F115 HydrophobicContact CB-CD2 4.01Å; D73-F115 PolarHBondContact OD2-N 3.13Å
74	C	94.8	Very high	93.2	Very high	11 Å²	11	23.9 Å²	23.9	7%	0.074	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	131.4	-176.8	-170.8	0	0	0	0	111.9	Q76 T364	C74-Q76 PolarHBondContact O-N 2.99Å; C74-Q76 VanDerWaalsContact O-N 3.13Å; C74-T364 HydrophobicContact CB-CG2 3.82Å
75	R	94	Very high	93.2	Very high	43 Å²	43	23.9 Å²	23.9	16%	0.162	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	101.5	177.1	178.9	162.7	67.7	-174	1.1	110.2	T77 D78 G79 T80 F115 G119	R75-T77 WeakPolarHBondContact CD-OG1 3.4Å; R75-T77 VanDerWaalsContact CG-OG1 3.22Å; R75-T77 WeakPolarHBondContact CG-OG1 3.44Å; R75-T77 PolarHBondContact O-N 2.88Å; R75-D78 IonicContact CZ-OD1 2.72Å; R75-D78 IonicContact CZ-OD2 2.94Å; R75-D78 VanDerWaalsContact NE-CG 3.34Å; R75-D78 IonicContact NE-OD1 2.78Å; R75-D78 PolarHBondContact NE-OD1 3Å; R75-D78 IonicContact NE-OD2 2.84Å; R75-D78 PolarHBondContact NE-OD2 3.45Å; R75-D78 IonicContact NH2-OD1 3.22Å; R75-D78 IonicContact NH2-OD2 3.61Å; R75-D78 PolarHBondContact NH2-OD2 3.1Å; R75-D78 PolarHBondContact O-N 3.17Å; R75-G79 WeakPolarHBondContact O-CA 3.43Å; R75-G79 PolarHBondContact O-N 3.01Å; R75-T80 PolarHBondContact N-O 2.73Å; R75-T80 PolarHBondContact NH2-OG1 2.94Å; R75-F115 HydrophobicContact CB-CD1 4.03Å; R75-F115 HydrophobicContact CB-CD2 4.14Å; R75-F115 HydrophobicContact CB-CE1 3.86Å; R75-F115 HydrophobicContact CB-CE2 3.97Å; R75-F115 HydrophobicContact CB-CG 4.17Å; R75-F115 HydrophobicContact CB-CZ 3.81Å; R75-G119 WeakPolarHBondContact CD-O 3.43Å; R75-G119 PolarHBondContact NH1-O 3.21Å
76	Q	89.7	Confident	93.1	Very high	100 Å²	100	23.3 Å²	23.3	47%	0.467	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-12.1	-175.9	-167.2	62.2	8.5	0	0	115.7	C74 V367	C74-Q76 PolarHBondContact O-N 2.99Å; C74-Q76 VanDerWaalsContact O-N 3.13Å; Q76-V367 PolarHBondContact NE2-O 3.23Å
77	T	87.2	Confident	93	Very high	80 Å²	80	23.4 Å²	23.4	49%	0.491	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-28.3	178.1	55.9	0	0	0	0	113.8	R75	R75-T77 WeakPolarHBondContact CD-OG1 3.4Å; R75-T77 VanDerWaalsContact CG-OG1 3.22Å; R75-T77 WeakPolarHBondContact CG-OG1 3.44Å; R75-T77 PolarHBondContact O-N 2.88Å
78	D	88	Confident	93.4	Very high	67 Å²	67	20 Å²	20	36%	0.358	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-143.2	-10	-175.1	61.2	13.2	0	0	0	115.2	R75 T80 A94	R75-D78 IonicContact CZ-OD1 2.72Å; R75-D78 IonicContact CZ-OD2 2.94Å; R75-D78 VanDerWaalsContact NE-CG 3.34Å; R75-D78 IonicContact NE-OD1 2.78Å; R75-D78 PolarHBondContact NE-OD1 3Å; R75-D78 IonicContact NE-OD2 2.84Å; R75-D78 PolarHBondContact NE-OD2 3.45Å; R75-D78 IonicContact NH2-OD1 3.22Å; R75-D78 IonicContact NH2-OD2 3.61Å; R75-D78 PolarHBondContact NH2-OD2 3.1Å; R75-D78 PolarHBondContact O-N 3.17Å; D78-T80 VanDerWaalsContact OD1-CB 3.31Å; D78-T80 WeakPolarHBondContact OD1-CB 3.33Å; D78-T80 PolarHBondContact OD1-N 3.01Å; D78-T80 PolarHBondContact OD1-OG1 2.66Å; D78-T80 PolarHBondContact OD2-OG1 2.8Å; D78-A94 VanDerWaalsContact O-CB 3.24Å; D78-A94 WeakPolarHBondContact O-CB 3.31Å
79	G	90	Very high	93.7	Very high	2 Å²	2	19.6 Å²	19.6	2%	0.021	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.7	11.4	-178.8	0	0	0	0	0	115	R75 V81 A94 H366	R75-G79 WeakPolarHBondContact O-CA 3.43Å; R75-G79 PolarHBondContact O-N 3.01Å; G79-V81 PolarHBondContact O-N 2.98Å; G79-A94 WeakPolarHBondContact O-CB 3.48Å; G79-H366 WeakPolarHBondContact CA-ND1 3.39Å
80	T	94.5	Very high	93.9	Very high	17 Å²	17	18.7 Å²	18.7	10%	0.104	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	122.6	177.2	-51.8	0	0	0	0	110.7	R75 D78 L91 L92	R75-T80 PolarHBondContact N-O 2.73Å; R75-T80 PolarHBondContact NH2-OG1 2.94Å; D78-T80 VanDerWaalsContact OD1-CB 3.31Å; D78-T80 WeakPolarHBondContact OD1-CB 3.33Å; D78-T80 PolarHBondContact OD1-N 3.01Å; D78-T80 PolarHBondContact OD1-OG1 2.66Å; D78-T80 PolarHBondContact OD2-OG1 2.8Å; T80-L91 HydrophobicContact CG2-CB 4.03Å; T80-L92 CarbonylContact C-O 3.55Å; T80-L92 WeakPolarHBondContact CA-O 3.09Å; T80-L92 WeakPolarHBondContact CG2-O 3.1Å
81	V	96.2	Very high	94	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.006	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	134.8	-179.4	-176.8	0	0	0	0	110.4	L72 G79 Y83 L91 L92 T389 M399	L72-V81 HydrophobicContact CD1-CG1 3.47Å; L72-V81 VanDerWaalsContact CD1-CG1 3.47Å; G79-V81 PolarHBondContact O-N 2.98Å; V81-Y83 HydrophobicContact CG1-CD1 4.46Å; V81-L91 CarbonylContact O-C 3.53Å; V81-L91 WeakPolarHBondContact O-CA 3.49Å; V81-L92 PolarHBondContact N-O 2.98Å; V81-L92 PolarHBondContact O-N 3.01Å; V81-T389 HydrophobicContact CG1-CG2 4.08Å; V81-T389 HydrophobicContact CG2-CG2 4.34Å; V81-M399 HydrophobicContact CG2-CE 4.17Å
82	A	97.5	Very high	94	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	130.3	174.4	0	0	0	0	0	111.8	D73 V89 V90 L91 L113 F115 L122	D73-A82 PolarHBondContact N-O 3.06Å; D73-A82 PolarHBondContact O-N 3.33Å; A82-V89 HydrophobicContact CB-CG1 4.24Å; A82-V90 WeakPolarHBondContact CA-O 3.39Å; A82-L91 HydrophobicContact CB-CD2 3.67Å; A82-L113 HydrophobicContact CB-CD1 4.11Å; A82-L113 HydrophobicContact CB-CD2 3.96Å; A82-F115 HydrophobicContact CB-CD2 4.49Å; A82-F115 HydrophobicContact CB-CE2 3.52Å; A82-F115 HydrophobicContact CB-CZ 3.64Å; A82-L122 HydrophobicContact CB-CD1 4.17Å; A82-L122 HydrophobicContact CB-CD2 4.36Å
83	Y	97.4	Very high	93.8	Very high	1 Å²	1	19.8 Å²	19.8	0%	0.004	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	149.2	172.5	61.7	-91.8	0	0	0	112	L64 V81 V89 V90 L92 L397	L64-Y83 HydrophobicContact CB-CD2 3.71Å; L64-Y83 HydrophobicContact CB-CE2 3.88Å; V81-Y83 HydrophobicContact CG1-CD1 4.46Å; Y83-V89 WeakPolarHBondContact O-CA 3.12Å; Y83-V90 HydrophobicContact CD2-CB 4.26Å; Y83-V90 HydrophobicContact CD2-CG2 4.48Å; Y83-V90 HydrophobicContact CE1-CB 4.1Å; Y83-V90 HydrophobicContact CE1-CG1 4.13Å; Y83-V90 HydrophobicContact CE2-CB 3.79Å; Y83-V90 HydrophobicContact CE2-CG1 4.35Å; Y83-V90 HydrophobicContact CE2-CG2 3.88Å; Y83-V90 PolarHBondContact N-O 3.48Å; Y83-V90 VanDerWaalsContact N-O 3.11Å; Y83-V90 PolarHBondContact O-N 3.06Å; Y83-L92 HydrophobicContact CE1-CB 4.08Å; Y83-L92 HydrophobicContact CE1-CD2 4.25Å; Y83-L397 HydrophobicContact CD1-CD1 3.87Å; Y83-L397 HydrophobicContact CE1-CD1 3.81Å; Y83-L397 HydrophobicContact CG-CD1 4.4Å
84	P	96.1	Very high	93.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	144	177.6	32.5	-36.4	0	0	0	112.6	L64 T65 A66 A71 V110	L64-P84 CarbonylContact C-O 3.58Å; L64-P84 WeakPolarHBondContact CA-O 3.47Å; T65-P84 PolarHBondContact N-O 3.2Å; T65-P84 PolarHBondContact OG1-O 2.7Å; A66-P84 HydrophobicContact CB-CG 4.22Å; A71-P84 HydrophobicContact CB-CG 4.13Å; A71-P84 WeakPolarHBondContact O-CD 3.43Å; P84-V110 HydrophobicContact CB-CB 3.96Å; P84-V110 HydrophobicContact CB-CG1 4.14Å
85	A	95.1	Very high	92.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	87	165.3	0	0	0	0	0	107.6	V61 C87 T88 V90	V61-A85 HydrophobicContact CG1-CB 3.65Å; A85-C87 PolarHBondContact O-N 3.23Å; A85-T88 CarbonylContact C-O 3.55Å; A85-T88 PolarHBondContact N-O 3.43Å; A85-T88 PolarHBondContact O-N 3.21Å; A85-T88 VanDerWaalsContact O-N 3.07Å; A85-V90 HydrophobicContact CB-CG2 4.1Å
86	G	89.9	Confident	92.4	Very high	3 Å²	3	20.2 Å²	20.2	3%	0.031	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	-109.6	-176.2	0	0	0	0	0	112.4	T65 A109 V110 D764	T65-G86 VanDerWaalsContact CG2-N 3.35Å; T65-G86 PolarHBondContact OG1-N 2.85Å; G86-A109 WeakPolarHBondContact O-CA 3.4Å; G86-V110 PolarHBondContact O-N 2.97Å; G86-V110 VanDerWaalsContact O-N 3.09Å; G86-D764 WeakPolarHBondContact CA-OD2 3.49Å
87	C	91.4	Very high	92	Very high	1 Å²	1	19 Å²	19	1%	0.007	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	7.1	172.1	70.6	0	0	0	0	113.7	A85 S104 K108 G741 H742	A85-C87 PolarHBondContact O-N 3.23Å; C87-S104 VanDerWaalsContact O-CB 3.24Å; C87-S104 WeakPolarHBondContact O-CB 3.37Å; C87-S104 PolarHBondContact O-N 2.85Å; C87-S104 VanDerWaalsContact O-N 3.09Å; C87-K108 WeakPolarHBondContact CB-O 3.44Å; C87-G741 PolarHBondContact SG-O 3.37Å; C87-H742 PolarHBondContact SG-O 3.19Å; C87-H742 VanDerWaalsContact SG-O 3.42Å
88	T	95.2	Very high	92	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	148.3	168	-60.7	0	0	0	0	108.9	A85 H101 I102 V103 G741 F768	A85-T88 CarbonylContact C-O 3.55Å; A85-T88 PolarHBondContact N-O 3.43Å; A85-T88 PolarHBondContact O-N 3.21Å; A85-T88 VanDerWaalsContact O-N 3.07Å; T88-H101 HydrophobicContact CG2-CB 4Å; T88-I102 CarbonylContact C-O 3.57Å; T88-I102 WeakPolarHBondContact CA-O 3.43Å; T88-V103 HydrophobicContact CG2-CG2 4.02Å; T88-G741 PolarHBondContact N-O 3.39Å; T88-G741 VanDerWaalsContact OG1-C 3.32Å; T88-G741 VanDerWaalsContact OG1-CA 3.28Å; T88-G741 WeakPolarHBondContact OG1-CA 3.26Å; T88-G741 PolarHBondContact OG1-O 3.47Å; T88-F768 HydrophobicContact CG2-CZ 4.49Å
89	V	96.3	Very high	92.2	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.012	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128	166.1	177.3	0	0	0	0	108.2	A82 Y83 L91 H101 I102 V110 L113 L122 T124	A82-V89 HydrophobicContact CB-CG1 4.24Å; Y83-V89 WeakPolarHBondContact O-CA 3.12Å; V89-L91 HydrophobicContact CG1-CD2 4.41Å; V89-H101 WeakPolarHBondContact O-CA 3.36Å; V89-I102 HydrophobicContact CB-CB 4.45Å; V89-I102 PolarHBondContact N-O 2.95Å; V89-I102 PolarHBondContact O-N 3.4Å; V89-V110 HydrophobicContact CG2-CB 4.46Å; V89-V110 HydrophobicContact CG2-CG1 4.11Å; V89-V110 HydrophobicContact CG2-CG2 4.23Å; V89-L113 HydrophobicContact CG1-CD2 3.76Å; V89-L113 HydrophobicContact CG2-CD2 4.35Å; V89-L122 HydrophobicContact CG1-CD2 4.05Å; V89-T124 HydrophobicContact CG2-CG2 3.85Å
90	V	96.8	Very high	92.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	132.6	173.8	-174	0	0	0	0	108.3	V61 A82 Y83 A85 Q99	V61-V90 HydrophobicContact CB-CG2 3.86Å; V61-V90 HydrophobicContact CG1-CG2 3.98Å; V61-V90 HydrophobicContact CG2-CG2 4.36Å; A82-V90 WeakPolarHBondContact CA-O 3.39Å; Y83-V90 HydrophobicContact CD2-CB 4.26Å; Y83-V90 HydrophobicContact CD2-CG2 4.48Å; Y83-V90 HydrophobicContact CE1-CB 4.1Å; Y83-V90 HydrophobicContact CE1-CG1 4.13Å; Y83-V90 HydrophobicContact CE2-CB 3.79Å; Y83-V90 HydrophobicContact CE2-CG1 4.35Å; Y83-V90 HydrophobicContact CE2-CG2 3.88Å; Y83-V90 PolarHBondContact N-O 3.48Å; Y83-V90 VanDerWaalsContact N-O 3.11Å; Y83-V90 PolarHBondContact O-N 3.06Å; A85-V90 HydrophobicContact CB-CG2 4.1Å; V90-Q99 HydrophobicContact CG1-CB 4.2Å; V90-Q99 HydrophobicContact CG1-CG 4.11Å
91	L	96.7	Very high	92.3	Very high	17 Å²	17	20.5 Å²	20.5	9%	0.089	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	103.9	168.9	-58	-179.1	0	0	0	107.3	T80 V81 A82 V89 Q99 S100 I102 F115 L122 L138	T80-L91 HydrophobicContact CG2-CB 4.03Å; V81-L91 CarbonylContact O-C 3.53Å; V81-L91 WeakPolarHBondContact O-CA 3.49Å; A82-L91 HydrophobicContact CB-CD2 3.67Å; V89-L91 HydrophobicContact CG1-CD2 4.41Å; L91-Q99 CarbonylContact O-C 3.56Å; L91-Q99 WeakPolarHBondContact O-CA 3.42Å; L91-S100 PolarHBondContact N-O 3.35Å; L91-S100 PolarHBondContact O-N 3.09Å; L91-I102 HydrophobicContact CD1-CD1 4.09Å; L91-I102 HydrophobicContact CD1-CG1 4.31Å; L91-F115 HydrophobicContact CD2-CZ 4.16Å; L91-L122 HydrophobicContact CD2-CD2 4.15Å; L91-L138 HydrophobicContact CD1-CD2 4.16Å
92	L	94.8	Very high	92.2	Very high	11 Å²	11	21.5 Å²	21.5	6%	0.058	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	130.3	-178.9	-177.2	67.1	0	0	0	109.3	T80 V81 Y83 Q99 L397 M399	T80-L92 CarbonylContact C-O 3.55Å; T80-L92 WeakPolarHBondContact CA-O 3.09Å; T80-L92 WeakPolarHBondContact CG2-O 3.1Å; V81-L92 PolarHBondContact N-O 2.98Å; V81-L92 PolarHBondContact O-N 3.01Å; Y83-L92 HydrophobicContact CE1-CB 4.08Å; Y83-L92 HydrophobicContact CE1-CD2 4.25Å; L92-Q99 HydrophobicContact CD1-CG 3.9Å; L92-L397 HydrophobicContact CD2-CD2 4.35Å; L92-M399 HydrophobicContact CD2-SD 3.55Å; L92-M399 VanDerWaalsContact CD2-SD 3.55Å; L92-M399 HydrophobicContact CG-SD 4.23Å
93	S	91.5	Very high	91.7	Very high	20 Å²	20	24.3 Å²	24.3	14%	0.14	16%	0.159	C	C	.	.			trans	-65.1	156.7	177.8	53.1	0	0	0	0	112.3	D95 G96 A97 S98	S93-D95 VanDerWaalsContact CB-OD1 3.22Å; S93-D95 WeakPolarHBondContact CB-OD1 3.43Å; S93-D95 PolarHBondContact O-N 3.11Å; S93-D95 VanDerWaalsContact O-N 3.07Å; S93-D95 PolarHBondContact OG-OD1 3.49Å; S93-G96 WeakPolarHBondContact O-CA 3.07Å; S93-G96 PolarHBondContact O-N 3.18Å; S93-A97 PolarHBondContact OG-N 3.12Å; S93-S98 VanDerWaalsContact CB-OG 3.26Å; S93-S98 WeakPolarHBondContact CB-OG 3.47Å; S93-S98 PolarHBondContact N-O 3.28Å; S93-S98 PolarHBondContact OG-N 2.94Å; S93-S98 PolarHBondContact OG-O 2.96Å; S93-S98 PolarHBondContact OG-OG 2.83Å
94	A	87.2	Confident	90.8	Very high	19 Å²	19	24.6 Å²	24.6	16%	0.157	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-14.4	-175	0	0	0	0	0	115.1	D78 G79 Q387	D78-A94 VanDerWaalsContact O-CB 3.24Å; D78-A94 WeakPolarHBondContact O-CB 3.31Å; G79-A94 WeakPolarHBondContact O-CB 3.48Å; A94-Q387 PolarHBondContact O-NE2 3.42Å
95	D	83.4	Confident	89.8	Confident	64 Å²	64	29.5 Å²	29.5	34%	0.342	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-6.4	173.6	60.7	2	0	0	0	112.9	S93 A97 P897	S93-D95 VanDerWaalsContact CB-OD1 3.22Å; S93-D95 WeakPolarHBondContact CB-OD1 3.43Å; S93-D95 PolarHBondContact O-N 3.11Å; S93-D95 VanDerWaalsContact O-N 3.07Å; S93-D95 PolarHBondContact OG-OD1 3.49Å; D95-A97 PolarHBondContact O-N 3.24Å; D95-A97 PolarHBondContact OD1-N 3.45Å; D95-P897 HydrophobicContact CB-CG 3.89Å
96	G	84.7	Confident	89.1	Confident	20 Å²	20	31.2 Å²	31.2	21%	0.206	21%	0.207	C	C	.	.	S	Bend	trans	68.8	5.8	-174.3	0	0	0	0	0	115.3	S93	S93-G96 WeakPolarHBondContact O-CA 3.07Å; S93-G96 PolarHBondContact O-N 3.18Å
97	A	81.2	Confident	88.8	Confident	73 Å²	73	33.7 Å²	33.7	60%	0.603	22%	0.217	S	C	*	.	S	Bend	trans	-87.3	-14.2	-170.5	0	0	0	0	0	114.4	S93 D95	S93-A97 PolarHBondContact OG-N 3.12Å; D95-A97 PolarHBondContact O-N 3.24Å; D95-A97 PolarHBondContact OD1-N 3.45Å
98	S	88.1	Confident	88.6	Confident	69 Å²	69	36.4 Å²	36.4	48%	0.483	23%	0.229	S	C	.	.			trans	-142.2	148.2	-178.3	69.5	0	0	0	0	112.6	S93	S93-S98 VanDerWaalsContact CB-OG 3.26Å; S93-S98 WeakPolarHBondContact CB-OG 3.47Å; S93-S98 PolarHBondContact N-O 3.28Å; S93-S98 PolarHBondContact OG-N 2.94Å; S93-S98 PolarHBondContact OG-O 2.96Å; S93-S98 PolarHBondContact OG-OG 2.83Å
99	Q	92.6	Very high	88.4	Confident	44 Å²	44	38.1 Å²	38.1	21%	0.206	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	151.3	175.5	-60.7	-171.8	10.1	0	0	110.5	V61 V90 L91 L92 H101	V61-Q99 PolarHBondContact O-NE2 2.73Å; V61-Q99 PolarHBondContact O-OE1 3.42Å; V90-Q99 HydrophobicContact CG1-CB 4.2Å; V90-Q99 HydrophobicContact CG1-CG 4.11Å; L91-Q99 CarbonylContact O-C 3.56Å; L91-Q99 WeakPolarHBondContact O-CA 3.42Å; L92-Q99 HydrophobicContact CD1-CG 3.9Å; Q99-H101 PolarHBondContact OE1-CE1 3.38Å; Q99-H101 VanDerWaalsContact OE1-CE1 3.31Å
100	S	92.9	Very high	88.3	Confident	55 Å²	55	38.2 Å²	38.2	39%	0.385	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	162.8	160.4	59.7	0	0	0	0	109.9	L91	L91-S100 PolarHBondContact N-O 3.35Å; L91-S100 PolarHBondContact O-N 3.09Å
101	H	93.7	Very high	88.1	Confident	31 Å²	31	39.4 Å²	39.4	14%	0.144	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	131.5	-162.4	-55.2	-59	0	0	0	113.3	L58 T88 V89 Q99	L58-H101 HydrophobicContact CD2-CB 4.16Å; T88-H101 HydrophobicContact CG2-CB 4Å; V89-H101 WeakPolarHBondContact O-CA 3.36Å; Q99-H101 PolarHBondContact OE1-CE1 3.38Å; Q99-H101 VanDerWaalsContact OE1-CE1 3.31Å
102	I	92.8	Very high	88	Confident	22 Å²	22	38.6 Å²	38.6	11%	0.113	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	108.1	167.5	-61.3	177	0	0	0	108.1	T88 V89 L91 L122 W136 L138	T88-I102 CarbonylContact C-O 3.57Å; T88-I102 WeakPolarHBondContact CA-O 3.43Å; V89-I102 HydrophobicContact CB-CB 4.45Å; V89-I102 PolarHBondContact N-O 2.95Å; V89-I102 PolarHBondContact O-N 3.4Å; L91-I102 HydrophobicContact CD1-CD1 4.09Å; L91-I102 HydrophobicContact CD1-CG1 4.31Å; I102-L122 HydrophobicContact CD1-CD2 3.98Å; I102-W136 HydrophobicContact CD1-CB 4.23Å; I102-W136 HydrophobicContact CD1-CG 4.23Å; I102-W136 HydrophobicContact CG2-CD2 3.58Å; I102-W136 VanDerWaalsContact CG2-CE2 3.45Å; I102-W136 HydrophobicContact CG2-CE3 4Å; I102-W136 HydrophobicContact CG2-CG 3.97Å; I102-W136 HydrophobicContact CG2-CH2 4.17Å; I102-W136 HydrophobicContact CG2-CZ2 3.78Å; I102-W136 HydrophobicContact CG2-CZ3 4.27Å; I102-L138 HydrophobicContact CD1-CD2 3.67Å
103	V	88	Confident	88.1	Confident	59 Å²	59	38.4 Å²	38.4	36%	0.358	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	112.9	-176.7	176.8	0	0	0	0	110.1	T88 S105 G740	T88-V103 HydrophobicContact CG2-CG2 4.02Å; V103-S105 PolarHBondContact O-N 2.9Å; V103-G740 WeakPolarHBondContact CG1-O 3.49Å
104	S	79.3	Confident	88.3	Confident	7 Å²	7	37.9 Å²	37.9	5%	0.049	24%	0.242	C	C	.	.			trans	-75.5	123.9	179	-172.3	0	0	0	0	111.9	C87 S106 K107 E126	C87-S104 VanDerWaalsContact O-CB 3.24Å; C87-S104 WeakPolarHBondContact O-CB 3.37Å; C87-S104 PolarHBondContact O-N 2.85Å; C87-S104 VanDerWaalsContact O-N 3.09Å; S104-S106 PolarHBondContact O-N 3.11Å; S104-S106 VanDerWaalsContact O-N 3.15Å; S104-S106 PolarHBondContact OG-OG 3.12Å; S104-S106 VanDerWaalsContact OG-OG 3.08Å; S104-K107 PolarHBondContact O-N 3.33Å; S104-E126 PolarHBondContact OG-OE1 3.42Å
105	S	74.7	Confident	88.8	Confident	102 Å²	102	37.6 Å²	37.6	71%	0.713	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-13.4	176.5	60.3	0	0	0	0	114.1	V103	V103-S105 PolarHBondContact O-N 2.9Å
106	S	79.8	Confident	89.3	Confident	36 Å²	36	34.8 Å²	34.8	25%	0.252	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-21.5	-177.6	76.4	0	0	0	0	114.4	S104 K108 E126	S104-S106 PolarHBondContact O-N 3.11Å; S104-S106 VanDerWaalsContact O-N 3.15Å; S104-S106 PolarHBondContact OG-OG 3.12Å; S104-S106 VanDerWaalsContact OG-OG 3.08Å; S106-K108 PolarHBondContact O-N 2.99Å; S106-K108 PolarHBondContact OG-N 2.77Å; S106-K108 VanDerWaalsContact OG-N 3.13Å; S106-E126 WeakPolarHBondContact CB-OE1 3.27Å; S106-E126 PolarHBondContact OG-OE1 2.88Å
107	K	83	Confident	89.7	Confident	55 Å²	55	37.6 Å²	37.6	24%	0.239	24%	0.237	C	C	.	.			trans	55.2	24.5	-171.3	-54.2	-178.6	174.9	-173.9	0	114.8	S104 D722 K723 N724	S104-K107 PolarHBondContact O-N 3.33Å; K107-D722 VanDerWaalsContact CD-O 3.23Å; K107-D722 WeakPolarHBondContact CD-O 2.9Å; K107-D722 WeakPolarHBondContact CE-O 3.38Å; K107-D722 PolarHBondContact NZ-O 3.48Å; K107-D722 IonicContact NZ-OD2 3.37Å; K107-D722 PolarHBondContact NZ-OD2 3.5Å; K107-K723 HydrophobicContact CB-CD 4.4Å; K107-K723 HydrophobicContact CD-CB 4.46Å; K107-K723 PolarHBondContact O-NZ 3.33Å; K107-N724 VanDerWaalsContact CE-OD1 3.31Å; K107-N724 WeakPolarHBondContact CE-OD1 2.98Å; K107-N724 PolarHBondContact NZ-ND2 2.64Å; K107-N724 PolarHBondContact NZ-OD1 3.35Å
108	K	88.5	Confident	90.1	Very high	59 Å²	59	37.8 Å²	37.8	26%	0.257	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-93.9	142.9	171.9	-63.1	-179.5	-172	-178.6	0	110.1	C87 S106 E126 H129 Q130	C87-K108 WeakPolarHBondContact CB-O 3.44Å; S106-K108 PolarHBondContact O-N 2.99Å; S106-K108 PolarHBondContact OG-N 2.77Å; S106-K108 VanDerWaalsContact OG-N 3.13Å; K108-E126 HydrophobicContact CB-CB 4.18Å; K108-E126 HydrophobicContact CB-CG 4.43Å; K108-E126 HydrophobicContact CD-CB 4.33Å; K108-H129 PolarHBondContact NZ-O 3.28Å; K108-Q130 PolarHBondContact NZ-O 3.06Å
109	A	90	Very high	90.3	Very high	35 Å²	35	34.9 Å²	34.9	29%	0.289	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-62	136.9	175.6	0	0	0	0	0	111.1	G86 E126 C127	G86-A109 WeakPolarHBondContact O-CA 3.4Å; A109-E126 WeakPolarHBondContact O-CA 3.29Å; A109-C127 PolarHBondContact O-N 3.34Å
110	V	94	Very high	90.4	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.03	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	122.8	173.8	175.7	0	0	0	0	108.7	P84 G86 V89 A125	P84-V110 HydrophobicContact CB-CB 3.96Å; P84-V110 HydrophobicContact CB-CG1 4.14Å; G86-V110 PolarHBondContact O-N 2.97Å; G86-V110 VanDerWaalsContact O-N 3.09Å; V89-V110 HydrophobicContact CG2-CB 4.46Å; V89-V110 HydrophobicContact CG2-CG1 4.11Å; V89-V110 HydrophobicContact CG2-CG2 4.23Å; V110-A125 CarbonylContact C-O 3.5Å; V110-A125 WeakPolarHBondContact CA-O 3.44Å
111	T	92.8	Very high	90.5	Very high	24 Å²	24	36.3 Å²	36.3	15%	0.147	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	-13.5	-175.4	44	0	0	0	0	114.3	A125 C127 I154	T111-A125 PolarHBondContact N-O 3.33Å; T111-C127 HydrophobicContact CG2-CB 3.67Å; T111-I154 PolarHBondContact OG1-O 3.38Å
112	S	94.8	Very high	90.7	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.007	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	150.5	171.8	176.7	0	0	0	0	110.8	A70 A125 C156 V157	A70-S112 CarbonylContact O-C 3.59Å; A70-S112 WeakPolarHBondContact O-CA 3.38Å; A70-S112 VanDerWaalsContact O-CB 3.25Å; A70-S112 WeakPolarHBondContact O-CB 3.4Å; A70-S112 PolarHBondContact O-OG 2.91Å; S112-A125 WeakPolarHBondContact O-CB 3.32Å; S112-A125 PolarHBondContact O-N 3.49Å; S112-C156 WeakPolarHBondContact OG-CA 3.39Å; S112-V157 WeakPolarHBondContact OG-CG2 3.4Å; S112-V157 PolarHBondContact OG-N 3.22Å; S112-V157 VanDerWaalsContact OG-N 3.08Å
113	L	96.9	Very high	90.9	Very high	6 Å²	6	33.8 Å²	33.8	3%	0.031	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	161.2	174.5	53.4	72.8	0	0	0	111.4	A70 D73 A82 V89 L122 A123	A70-L113 PolarHBondContact O-N 2.87Å; D73-L113 HydrophobicContact CB-CD1 3.52Å; A82-L113 HydrophobicContact CB-CD1 4.11Å; A82-L113 HydrophobicContact CB-CD2 3.96Å; V89-L113 HydrophobicContact CG1-CD2 3.76Å; V89-L113 HydrophobicContact CG2-CD2 4.35Å; L113-L122 HydrophobicContact CB-CD1 4.43Å; L113-A123 CarbonylContact C-O 3.52Å; L113-A123 WeakPolarHBondContact CA-O 3.17Å; L113-A123 VanDerWaalsContact CB-O 3.25Å; L113-A123 WeakPolarHBondContact CB-O 3.11Å
114	S	96.6	Very high	91.3	Very high	10 Å²	10	31 Å²	31	7%	0.07	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	128.2	175.8	171.2	0	0	0	0	109.8	D73 A123 V157 F159	D73-S114 VanDerWaalsContact OD2-CA 3.31Å; D73-S114 WeakPolarHBondContact OD2-CA 3.39Å; S114-A123 PolarHBondContact N-O 3.04Å; S114-A123 PolarHBondContact O-N 3.29Å; S114-V157 WeakPolarHBondContact CB-O 3.46Å; S114-F159 WeakPolarHBondContact O-CE2 3.37Å
115	F	96.6	Very high	92.1	Very high	12 Å²	12	30.7 Å²	30.7	5%	0.053	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	152	168.9	-76.8	-75.9	0	0	0	110.8	D73 R75 A82 L91 Y121 L122 L138 F159	D73-F115 HydrophobicContact CB-CD2 4.01Å; D73-F115 PolarHBondContact OD2-N 3.13Å; R75-F115 HydrophobicContact CB-CD1 4.03Å; R75-F115 HydrophobicContact CB-CD2 4.14Å; R75-F115 HydrophobicContact CB-CE1 3.86Å; R75-F115 HydrophobicContact CB-CE2 3.97Å; R75-F115 HydrophobicContact CB-CG 4.17Å; R75-F115 HydrophobicContact CB-CZ 3.81Å; A82-F115 HydrophobicContact CB-CD2 4.49Å; A82-F115 HydrophobicContact CB-CE2 3.52Å; A82-F115 HydrophobicContact CB-CZ 3.64Å; L91-F115 HydrophobicContact CD2-CZ 4.16Å; F115-Y121 WeakPolarHBondContact CA-O 3.45Å; F115-L122 HydrophobicContact CD1-CB 4.34Å; F115-L122 HydrophobicContact CD1-CD1 3.74Å; F115-L122 HydrophobicContact CD2-CD1 4.1Å; F115-L122 HydrophobicContact CE1-CB 4.46Å; F115-L122 HydrophobicContact CE1-CD1 3.9Å; F115-L122 HydrophobicContact CE2-CD1 4.25Å; F115-L122 HydrophobicContact CG-CD1 3.86Å; F115-L122 HydrophobicContact CZ-CD1 4.16Å; F115-L138 HydrophobicContact CD1-CD1 4.04Å; F115-L138 HydrophobicContact CE1-CD1 3.73Å; F115-F159 WeakPolarHBondContact O-CD2 3.49Å
116	S	95.3	Very high	93	Very high	6 Å²	6	26 Å²	26	4%	0.042	14%	0.139	C	C	.	.			trans	-71.5	148.1	164.8	56.1	0	0	0	0	111.5	D118 G119 R120 Y121 M163	S116-D118 WeakPolarHBondContact CB-OD1 3.28Å; S116-D118 PolarHBondContact O-N 2.93Å; S116-D118 PolarHBondContact OG-OD1 2.79Å; S116-G119 PolarHBondContact O-N 2.93Å; S116-R120 PolarHBondContact OG-N 3.41Å; S116-Y121 PolarHBondContact N-O 3.04Å; S116-Y121 PolarHBondContact OG-N 2.85Å; S116-Y121 PolarHBondContact OG-O 3.03Å; S116-M163 VanDerWaalsContact CB-SD 3.55Å
117	P	92.3	Very high	93.5	Very high	79 Å²	79	25 Å²	25	51%	0.513	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-19.8	173	-27.7	33.2	0	0	0	115.6
118	D	90.1	Very high	93.8	Very high	77 Å²	77	23.2 Å²	23.2	41%	0.412	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	3.3	175.8	66.5	5.3	0	0	0	113.9	S116 R120 M163	S116-D118 WeakPolarHBondContact CB-OD1 3.28Å; S116-D118 PolarHBondContact O-N 2.93Å; S116-D118 PolarHBondContact OG-OD1 2.79Å; D118-R120 PolarHBondContact O-N 2.86Å; D118-R120 PolarHBondContact OD1-N 2.76Å; D118-M163 WeakPolarHBondContact OD2-CE 3.44Å
119	G	92.2	Very high	93.8	Very high	7 Å²	7	26.9 Å²	26.9	7%	0.072	15%	0.147	C	C	.	.	S	Bend	trans	68.5	-3.8	177.6	0	0	0	0	0	116	R75 S116	R75-G119 WeakPolarHBondContact CD-O 3.43Å; R75-G119 PolarHBondContact NH1-O 3.21Å; S116-G119 PolarHBondContact O-N 2.93Å
120	R	94.5	Very high	93.8	Very high	96 Å²	96	31 Å²	31	36%	0.362	16%	0.16	S	C	.	.	S	Bend	trans	-81.7	-30.5	-175.5	177.1	172.5	170.3	164.6	1.5	113.7	S116 D118 D137 L138	S116-R120 PolarHBondContact OG-N 3.41Å; D118-R120 PolarHBondContact O-N 2.86Å; D118-R120 PolarHBondContact OD1-N 2.76Å; R120-D137 WeakPolarHBondContact CG-OD1 3.48Å; R120-D137 IonicContact CZ-OD1 3.82Å; R120-D137 IonicContact CZ-OD2 2.86Å; R120-D137 VanDerWaalsContact NE-CG 3.33Å; R120-D137 IonicContact NE-OD1 3.99Å; R120-D137 PolarHBondContact NE-OD1 2.93Å; R120-D137 VanDerWaalsContact NE-OD1 3.15Å; R120-D137 IonicContact NE-OD2 3.32Å; R120-D137 PolarHBondContact NE-OD2 2.88Å; R120-D137 IonicContact NH2-OD1 2.95Å; R120-D137 IonicContact NH2-OD2 3.11Å; R120-D137 PolarHBondContact NH2-OD2 3.39Å; R120-L138 WeakPolarHBondContact O-CB 3.37Å; R120-L138 WeakPolarHBondContact O-CG 3.34Å; R120-L138 PolarHBondContact O-N 2.97Å
121	Y	95.7	Very high	93.8	Very high	33 Å²	33	30.8 Å²	30.8	13%	0.129	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	148.9	-173.6	-55.1	-91.1	0	0	0	111.6	F115 S116 I135 W136 D137 A144 M163 W182	F115-Y121 WeakPolarHBondContact CA-O 3.45Å; S116-Y121 PolarHBondContact N-O 3.04Å; S116-Y121 PolarHBondContact OG-N 2.85Å; S116-Y121 PolarHBondContact OG-O 3.03Å; Y121-I135 HydrophobicContact CD1-CG2 4.15Å; Y121-I135 HydrophobicContact CG-CG2 4.45Å; Y121-W136 CarbonylContact C-O 3.57Å; Y121-W136 WeakPolarHBondContact CA-O 3.19Å; Y121-W136 WeakPolarHBondContact CB-O 3.43Å; Y121-D137 HydrophobicContact CD1-CB 3.93Å; Y121-D137 HydrophobicContact CE1-CB 3.84Å; Y121-D137 VanDerWaalsContact CE1-OD2 3.24Å; Y121-D137 WeakPolarHBondContact CE1-OD2 3.28Å; Y121-A144 HydrophobicContact CD1-CB 4.28Å; Y121-A144 HydrophobicContact CE1-CB 4.12Å; Y121-M163 HydrophobicContact CD2-CE 3.62Å; Y121-M163 HydrophobicContact CE2-CE 4.01Å; Y121-W182 HydrophobicContact CD1-CH2 4.1Å; Y121-W182 HydrophobicContact CD1-CZ3 4.31Å; Y121-W182 HydrophobicContact CD2-CH2 4.03Å; Y121-W182 HydrophobicContact CE1-CH2 4.06Å; Y121-W182 HydrophobicContact CE1-CZ3 4.3Å; Y121-W182 HydrophobicContact CE2-CH2 4Å; Y121-W182 HydrophobicContact CG-CH2 4.08Å
122	L	96.7	Very high	93.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.7	167.4	-177.1	73.4	0	0	0	109.4	A82 V89 L91 I102 L113 F115 T124 I135 W136 L138	A82-L122 HydrophobicContact CB-CD1 4.17Å; A82-L122 HydrophobicContact CB-CD2 4.36Å; V89-L122 HydrophobicContact CG1-CD2 4.05Å; L91-L122 HydrophobicContact CD2-CD2 4.15Å; I102-L122 HydrophobicContact CD1-CD2 3.98Å; L113-L122 HydrophobicContact CB-CD1 4.43Å; F115-L122 HydrophobicContact CD1-CB 4.34Å; F115-L122 HydrophobicContact CD1-CD1 3.74Å; F115-L122 HydrophobicContact CD2-CD1 4.1Å; F115-L122 HydrophobicContact CE1-CB 4.46Å; F115-L122 HydrophobicContact CE1-CD1 3.9Å; F115-L122 HydrophobicContact CE2-CD1 4.25Å; F115-L122 HydrophobicContact CG-CD1 3.86Å; F115-L122 HydrophobicContact CZ-CD1 4.16Å; L122-T124 HydrophobicContact CD2-CG2 3.94Å; L122-T124 HydrophobicContact CG-CG2 4.22Å; L122-I135 WeakPolarHBondContact O-CA 3.2Å; L122-W136 PolarHBondContact N-O 3.24Å; L122-W136 PolarHBondContact O-N 3.06Å; L122-L138 HydrophobicContact CB-CD1 4.32Å; L122-L138 HydrophobicContact CB-CD2 4.02Å; L122-L138 HydrophobicContact CB-CG 4.45Å
123	A	97.1	Very high	93.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	138.2	166	0	0	0	0	0	110.6	L113 S114 V133 R134 I135 F159 F166	L113-A123 CarbonylContact C-O 3.52Å; L113-A123 WeakPolarHBondContact CA-O 3.17Å; L113-A123 VanDerWaalsContact CB-O 3.25Å; L113-A123 WeakPolarHBondContact CB-O 3.11Å; S114-A123 PolarHBondContact N-O 3.04Å; S114-A123 PolarHBondContact O-N 3.29Å; A123-V133 HydrophobicContact CB-CG1 4.3Å; A123-R134 CarbonylContact C-O 3.58Å; A123-R134 WeakPolarHBondContact CA-O 3.32Å; A123-I135 HydrophobicContact CB-CG1 4.12Å; A123-F159 HydrophobicContact CB-CD2 4.47Å; A123-F159 HydrophobicContact CB-CE2 3.65Å; A123-F159 HydrophobicContact CB-CZ 4.13Å; A123-F166 HydrophobicContact CB-CE2 3.36Å; A123-F166 HydrophobicContact CB-CZ 3.5Å; A123-F166 VanDerWaalsContact CB-CZ 3.5Å
124	T	96.6	Very high	93.8	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.012	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	130.9	174.7	61.3	0	0	0	0	109.4	V89 L122 R134 W136	V89-T124 HydrophobicContact CG2-CG2 3.85Å; L122-T124 HydrophobicContact CD2-CG2 3.94Å; L122-T124 HydrophobicContact CG-CG2 4.22Å; T124-R134 PolarHBondContact N-O 3.43Å; T124-R134 PolarHBondContact O-N 2.96Å; T124-W136 PolarHBondContact OG1-NE1 2.97Å
125	A	95.4	Very high	93.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	141.7	-172.5	0	0	0	0	0	112.1	V110 T111 S112 V133 I154 V157	V110-A125 CarbonylContact C-O 3.5Å; V110-A125 WeakPolarHBondContact CA-O 3.44Å; T111-A125 PolarHBondContact N-O 3.33Å; S112-A125 WeakPolarHBondContact O-CB 3.32Å; S112-A125 PolarHBondContact O-N 3.49Å; A125-V133 HydrophobicContact CB-CG2 4.39Å; A125-I154 HydrophobicContact CB-CB 3.89Å; A125-I154 HydrophobicContact CB-CD1 4.31Å; A125-I154 HydrophobicContact CB-CG2 3.81Å; A125-V157 HydrophobicContact CB-CB 4.42Å; A125-V157 HydrophobicContact CB-CG1 3.62Å; A125-V157 HydrophobicContact CB-CG2 3.93Å
126	E	94.7	Very high	93.7	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.009	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	160.2	-166.8	-56.9	-173.8	137.5	0	0	114.6	S104 S106 K108 A109 P131 A132 R134 G153 I154	S104-E126 PolarHBondContact OG-OE1 3.42Å; S106-E126 WeakPolarHBondContact CB-OE1 3.27Å; S106-E126 PolarHBondContact OG-OE1 2.88Å; K108-E126 HydrophobicContact CB-CB 4.18Å; K108-E126 HydrophobicContact CB-CG 4.43Å; K108-E126 HydrophobicContact CD-CB 4.33Å; A109-E126 WeakPolarHBondContact O-CA 3.29Å; E126-P131 HydrophobicContact CB-CB 3.84Å; E126-P131 WeakPolarHBondContact O-CB 3.28Å; E126-A132 PolarHBondContact N-O 3.36Å; E126-A132 PolarHBondContact OE2-N 3.23Å; E126-A132 VanDerWaalsContact OE2-N 3.12Å; E126-R134 IonicContact OE1-CZ 3.95Å; E126-R134 IonicContact OE1-NH1 3.74Å; E126-R134 PolarHBondContact OE1-NH1 3.49Å; E126-R134 IonicContact OE2-NH1 3.57Å; E126-R134 PolarHBondContact OE2-NH1 3.04Å; E126-G153 WeakPolarHBondContact O-CA 3.45Å; E126-I154 PolarHBondContact O-N 3.08Å; E126-I154 VanDerWaalsContact O-N 3.08Å
127	C	90.5	Very high	93.6	Very high	17 Å²	17	30.4 Å²	30.4	12%	0.115	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-109.1	163.4	167	-160.4	0	0	0	0	113	A109 T111	A109-C127 PolarHBondContact O-N 3.34Å; T111-C127 HydrophobicContact CG2-CB 3.67Å
128	G	87.7	Confident	93.6	Very high	16 Å²	16	27.8 Å²	27.8	17%	0.165	13%	0.134	C	C	.	.	S	Bend	trans	98.5	-172.6	179.9	0	0	0	0	0	113.6	Q130 P131 F152	G128-Q130 PolarHBondContact O-N 3.49Å; G128-P131 WeakPolarHBondContact O-CD 3.39Å; G128-F152 CarbonylContact C-O 3.57Å; G128-F152 PolarHBondContact N-O 3.07Å; G128-F152 CarbonylContact O-C 3.6Å; G128-F152 WeakPolarHBondContact O-CA 3.47Å; G128-F152 VanDerWaalsContact O-O 3.08Å
129	H	89.2	Confident	93.6	Very high	136 Å²	136	29.9 Å²	29.9	63%	0.63	15%	0.145	S	C	*	.	S	Bend	trans	-65	127.6	-176.3	-176.2	-88.7	0	0	0	111.6	K108	K108-H129 PolarHBondContact NZ-O 3.28Å
130	Q	89.8	Confident	93.3	Very high	121 Å²	121	33.4 Å²	33.4	57%	0.565	16%	0.162	S	C	*	.	S	Bend	trans	49.1	66.6	-177.9	-69.5	171	-34.7	0	0	112.2	K108 G128 T151	K108-Q130 PolarHBondContact NZ-O 3.06Å; G128-Q130 PolarHBondContact O-N 3.49Å; Q130-T151 PolarHBondContact N-O 3.37Å
131	P	94.1	Very high	92.8	Very high	1 Å²	1	34 Å²	34	1%	0.006	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-68.2	146.5	177.4	33.7	-36.9	0	0	0	110.5	E126 G128 H150 I154	E126-P131 HydrophobicContact CB-CB 3.84Å; E126-P131 WeakPolarHBondContact O-CB 3.28Å; G128-P131 WeakPolarHBondContact O-CD 3.39Å; P131-H150 HydrophobicContact CG-CB 3.9Å; P131-I154 HydrophobicContact CB-CD1 4.26Å; P131-I154 HydrophobicContact CB-CG1 4.15Å; P131-I154 HydrophobicContact CG-CD1 4.23Å; P131-I154 HydrophobicContact CG-CG1 3.89Å
132	A	94.4	Very high	92.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	160.4	164.3	0	0	0	0	0	110.4	E126 R134 F148	E126-A132 PolarHBondContact N-O 3.36Å; E126-A132 PolarHBondContact OE2-N 3.23Å; E126-A132 VanDerWaalsContact OE2-N 3.12Å; A132-R134 HydrophobicContact CB-CG 4.35Å; A132-F148 HydrophobicContact CB-CD1 4.27Å; A132-F148 HydrophobicContact CB-CE1 3.73Å; A132-F148 HydrophobicContact CB-CZ 4Å
133	V	95.8	Very high	92.3	Very high	1 Å²	1	37 Å²	37	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	134.2	139.4	-174.2	0	0	0	0	107.3	A123 A125 E146 L147 I154 V157 F166	A123-V133 HydrophobicContact CB-CG1 4.3Å; A125-V133 HydrophobicContact CB-CG2 4.39Å; V133-E146 CarbonylContact O-C 3.58Å; V133-E146 WeakPolarHBondContact O-CA 3.01Å; V133-L147 HydrophobicContact CB-CB 4.23Å; V133-L147 PolarHBondContact N-O 2.79Å; V133-L147 PolarHBondContact O-N 2.87Å; V133-I154 HydrophobicContact CG2-CD1 3.47Å; V133-I154 VanDerWaalsContact CG2-CD1 3.47Å; V133-V157 HydrophobicContact CG1-CG1 4.13Å; V133-V157 HydrophobicContact CG2-CG1 3.85Å; V133-F166 HydrophobicContact CB-CE1 4.33Å; V133-F166 HydrophobicContact CG1-CE1 3.71Å; V133-F166 HydrophobicContact CG1-CZ 3.66Å; V133-F166 HydrophobicContact CG2-CE1 4.2Å
134	R	94.7	Very high	92.1	Very high	18 Å²	18	39.4 Å²	39.4	7%	0.068	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	137.2	167.8	-70.9	-170	169.5	70.7	20.6	109.2	A123 T124 E126 A132 W136 L143 E146	A123-R134 CarbonylContact C-O 3.58Å; A123-R134 WeakPolarHBondContact CA-O 3.32Å; T124-R134 PolarHBondContact N-O 3.43Å; T124-R134 PolarHBondContact O-N 2.96Å; E126-R134 IonicContact OE1-CZ 3.95Å; E126-R134 IonicContact OE1-NH1 3.74Å; E126-R134 PolarHBondContact OE1-NH1 3.49Å; E126-R134 IonicContact OE2-NH1 3.57Å; E126-R134 PolarHBondContact OE2-NH1 3.04Å; A132-R134 HydrophobicContact CB-CG 4.35Å; R134-W136 HydrophobicContact CB-CZ2 4.06Å; R134-W136 HydrophobicContact CG-CZ2 4.47Å; R134-L143 HydrophobicContact CB-CD1 3.64Å; R134-L143 HydrophobicContact CG-CD1 3.88Å; R134-E146 HydrophobicContact CG-CG 4.32Å; R134-E146 IonicContact CZ-OE1 3.18Å; R134-E146 IonicContact NE-OE1 3.45Å; R134-E146 PolarHBondContact NE-OE1 3.32Å; R134-E146 IonicContact NH2-OE1 2.96Å; R134-E146 PolarHBondContact NH2-OE1 3.2Å; R134-E146 IonicContact NH2-OE2 3.5Å
135	I	95.9	Very high	92	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	115.9	172	-62.2	174.7	0	0	0	107.1	Y121 L122 A123 A144 A145 L147 F159 F166 W182	Y121-I135 HydrophobicContact CD1-CG2 4.15Å; Y121-I135 HydrophobicContact CG-CG2 4.45Å; L122-I135 WeakPolarHBondContact O-CA 3.2Å; A123-I135 HydrophobicContact CB-CG1 4.12Å; I135-A144 WeakPolarHBondContact O-CA 3.2Å; I135-A144 WeakPolarHBondContact O-CB 3.03Å; I135-A144 PolarHBondContact O-N 3.07Å; I135-A145 HydrophobicContact CB-CB 4.27Å; I135-A145 HydrophobicContact CD1-CB 4.5Å; I135-A145 PolarHBondContact N-O 2.9Å; I135-A145 PolarHBondContact O-N 3.04Å; I135-A145 VanDerWaalsContact O-N 3.13Å; I135-L147 HydrophobicContact CD1-CD1 4.18Å; I135-F159 HydrophobicContact CD1-CE1 4.28Å; I135-F159 HydrophobicContact CD1-CZ 4.15Å; I135-F159 HydrophobicContact CG1-CZ 4.31Å; I135-F159 HydrophobicContact CG2-CZ 3.93Å; I135-F166 HydrophobicContact CD1-CD2 4.38Å; I135-F166 HydrophobicContact CD1-CG 4.43Å; I135-W182 HydrophobicContact CD1-CB 3.73Å; I135-W182 HydrophobicContact CD1-CD2 3.92Å; I135-W182 HydrophobicContact CD1-CE3 3.71Å; I135-W182 HydrophobicContact CD1-CG 3.99Å; I135-W182 HydrophobicContact CG2-CE3 4.2Å; I135-W182 HydrophobicContact CG2-CZ3 3.97Å
136	W	94.8	Very high	91.9	Very high	27 Å²	27	43.8 Å²	43.8	10%	0.102	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	141.2	179.5	-50.3	91.4	0	0	0	109.4	I102 Y121 L122 T124 R134 S142 L143	I102-W136 HydrophobicContact CD1-CB 4.23Å; I102-W136 HydrophobicContact CD1-CG 4.23Å; I102-W136 HydrophobicContact CG2-CD2 3.58Å; I102-W136 VanDerWaalsContact CG2-CE2 3.45Å; I102-W136 HydrophobicContact CG2-CE3 4Å; I102-W136 HydrophobicContact CG2-CG 3.97Å; I102-W136 HydrophobicContact CG2-CH2 4.17Å; I102-W136 HydrophobicContact CG2-CZ2 3.78Å; I102-W136 HydrophobicContact CG2-CZ3 4.27Å; Y121-W136 CarbonylContact C-O 3.57Å; Y121-W136 WeakPolarHBondContact CA-O 3.19Å; Y121-W136 WeakPolarHBondContact CB-O 3.43Å; L122-W136 PolarHBondContact N-O 3.24Å; L122-W136 PolarHBondContact O-N 3.06Å; T124-W136 PolarHBondContact OG1-NE1 2.97Å; R134-W136 HydrophobicContact CB-CZ2 4.06Å; R134-W136 HydrophobicContact CG-CZ2 4.47Å; W136-S142 CarbonylContact C-O 3.51Å; W136-S142 VanDerWaalsContact CA-O 3.29Å; W136-S142 WeakPolarHBondContact CA-O 3.47Å; W136-L143 HydrophobicContact CD2-CD1 4.09Å; W136-L143 HydrophobicContact CE3-CB 4.09Å; W136-L143 HydrophobicContact CE3-CD1 4.04Å; W136-L143 HydrophobicContact CH2-CD1 4.32Å; W136-L143 HydrophobicContact CZ2-CD1 4.35Å; W136-L143 HydrophobicContact CZ3-CB 4.01Å; W136-L143 HydrophobicContact CZ3-CD1 4.16Å
137	D	94.5	Very high	91.9	Very high	6 Å²	6	43.9 Å²	43.9	3%	0.032	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	123.6	165.3	-168.2	-36.2	0	0	0	107.8	R120 Y121 N139 D140 Q141 S142 A144	R120-D137 WeakPolarHBondContact CG-OD1 3.48Å; R120-D137 IonicContact CZ-OD1 3.82Å; R120-D137 IonicContact CZ-OD2 2.86Å; R120-D137 VanDerWaalsContact NE-CG 3.33Å; R120-D137 IonicContact NE-OD1 3.99Å; R120-D137 PolarHBondContact NE-OD1 2.93Å; R120-D137 VanDerWaalsContact NE-OD1 3.15Å; R120-D137 IonicContact NE-OD2 3.32Å; R120-D137 PolarHBondContact NE-OD2 2.88Å; R120-D137 IonicContact NH2-OD1 2.95Å; R120-D137 IonicContact NH2-OD2 3.11Å; R120-D137 PolarHBondContact NH2-OD2 3.39Å; Y121-D137 HydrophobicContact CD1-CB 3.93Å; Y121-D137 HydrophobicContact CE1-CB 3.84Å; Y121-D137 VanDerWaalsContact CE1-OD2 3.24Å; Y121-D137 WeakPolarHBondContact CE1-OD2 3.28Å; D137-N139 VanDerWaalsContact C-N 3.33Å; D137-N139 PolarHBondContact OD1-N 3.12Å; D137-D140 WeakPolarHBondContact CB-OD1 3.44Å; D137-Q141 CarbonylContact O-C 3.48Å; D137-Q141 WeakPolarHBondContact O-CA 3.46Å; D137-Q141 PolarHBondContact O-N 3.09Å; D137-S142 PolarHBondContact N-O 2.86Å; D137-S142 PolarHBondContact O-N 2.93Å; D137-A144 HydrophobicContact CB-CB 4.31Å
138	L	92.1	Very high	92	Very high	23 Å²	23	48.7 Å²	48.7	12%	0.12	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-14.9	-169.5	-58.8	173.9	0	0	0	112.5	L91 I102 F115 R120 L122	L91-L138 HydrophobicContact CD1-CD2 4.16Å; I102-L138 HydrophobicContact CD1-CD2 3.67Å; F115-L138 HydrophobicContact CD1-CD1 4.04Å; F115-L138 HydrophobicContact CE1-CD1 3.73Å; R120-L138 WeakPolarHBondContact O-CB 3.37Å; R120-L138 WeakPolarHBondContact O-CG 3.34Å; R120-L138 PolarHBondContact O-N 2.97Å; L122-L138 HydrophobicContact CB-CD1 4.32Å; L122-L138 HydrophobicContact CB-CD2 4.02Å; L122-L138 HydrophobicContact CB-CG 4.45Å
139	N	89.1	Confident	92	Very high	121 Å²	121	49.6 Å²	49.6	65%	0.647	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-38.1	-174.9	-69.8	7.1	0	0	0	112.6	D137	D137-N139 VanDerWaalsContact C-N 3.33Å; D137-N139 PolarHBondContact OD1-N 3.12Å
140	D	85.5	Confident	92.2	Very high	81 Å²	81	43.6 Å²	43.6	43%	0.433	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	1.4	171.2	53.8	39.9	0	0	0	112.3	D137 S142	D137-D140 WeakPolarHBondContact CB-OD1 3.44Å; D140-S142 PolarHBondContact O-N 3.21Å; D140-S142 VanDerWaalsContact O-N 3.16Å; D140-S142 WeakPolarHBondContact OD1-CB 3.31Å; D140-S142 PolarHBondContact OD1-N 3.02Å; D140-S142 VanDerWaalsContact OD1-N 3.11Å; D140-S142 PolarHBondContact OD1-OG 3.06Å
141	Q	84.4	Confident	92.4	Very high	110 Å²	110	40.9 Å²	40.9	51%	0.514	23%	0.226	S	C	.	.			trans	56.3	23.9	-179.8	-57.6	179.8	-15.4	0	0	113.4	P37 D137	P37-Q141 VanDerWaalsContact CD-CB 3.48Å; P37-Q141 HydrophobicContact CG-CB 3.62Å; P37-Q141 HydrophobicContact CG-CG 4.4Å; D137-Q141 CarbonylContact O-C 3.48Å; D137-Q141 WeakPolarHBondContact O-CA 3.46Å; D137-Q141 PolarHBondContact O-N 3.09Å
142	S	90.3	Very high	92.2	Very high	35 Å²	35	45.6 Å²	45.6	25%	0.245	25%	0.246	C	C	.	.			trans	-94.3	165.9	-174.1	77.5	0	0	0	0	113.6	W136 D137 D140 A144	W136-S142 CarbonylContact C-O 3.51Å; W136-S142 VanDerWaalsContact CA-O 3.29Å; W136-S142 WeakPolarHBondContact CA-O 3.47Å; D137-S142 PolarHBondContact N-O 2.86Å; D137-S142 PolarHBondContact O-N 2.93Å; D140-S142 PolarHBondContact O-N 3.21Å; D140-S142 VanDerWaalsContact O-N 3.16Å; D140-S142 WeakPolarHBondContact OD1-CB 3.31Å; D140-S142 PolarHBondContact OD1-N 3.02Å; D140-S142 VanDerWaalsContact OD1-N 3.11Å; D140-S142 PolarHBondContact OD1-OG 3.06Å; S142-A144 PolarHBondContact O-N 3.14Å
143	L	91.9	Very high	92	Very high	60 Å²	60	45.6 Å²	45.6	31%	0.314	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	95.8	176	-177.8	60	0	0	0	110.8	R134 W136 E146	R134-L143 HydrophobicContact CB-CD1 3.64Å; R134-L143 HydrophobicContact CG-CD1 3.88Å; W136-L143 HydrophobicContact CD2-CD1 4.09Å; W136-L143 HydrophobicContact CE3-CB 4.09Å; W136-L143 HydrophobicContact CE3-CD1 4.04Å; W136-L143 HydrophobicContact CH2-CD1 4.32Å; W136-L143 HydrophobicContact CZ2-CD1 4.35Å; W136-L143 HydrophobicContact CZ3-CB 4.01Å; W136-L143 HydrophobicContact CZ3-CD1 4.16Å; L143-E146 HydrophobicContact CD1-CG 4.44Å; L143-E146 HydrophobicContact CD2-CG 3.81Å; L143-E146 WeakPolarHBondContact CD2-OE1 3.21Å; L143-E146 HydrophobicContact CG-CG 4.29Å
144	A	93.1	Very high	92	Very high	51 Å²	51	45.7 Å²	45.7	42%	0.421	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	-32.3	-176.4	0	0	0	0	0	114.2	Y121 I135 D137 S142	Y121-A144 HydrophobicContact CD1-CB 4.28Å; Y121-A144 HydrophobicContact CE1-CB 4.12Å; I135-A144 WeakPolarHBondContact O-CA 3.2Å; I135-A144 WeakPolarHBondContact O-CB 3.03Å; I135-A144 PolarHBondContact O-N 3.07Å; D137-A144 HydrophobicContact CB-CB 4.31Å; S142-A144 PolarHBondContact O-N 3.14Å
145	A	93.4	Very high	92	Very high	16 Å²	16	46 Å²	46	13%	0.132	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	150.7	174.5	0	0	0	0	0	114	I135	I135-A145 HydrophobicContact CB-CB 4.27Å; I135-A145 HydrophobicContact CD1-CB 4.5Å; I135-A145 PolarHBondContact N-O 2.9Å; I135-A145 PolarHBondContact O-N 3.04Å; I135-A145 VanDerWaalsContact O-N 3.13Å
146	E	93.8	Very high	91.9	Very high	78 Å²	78	46.2 Å²	46.2	36%	0.364	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	133.4	162.5	-58	-161.7	146.8	0	0	110.1	V133 R134 L143 F148	V133-E146 CarbonylContact O-C 3.58Å; V133-E146 WeakPolarHBondContact O-CA 3.01Å; R134-E146 HydrophobicContact CG-CG 4.32Å; R134-E146 IonicContact CZ-OE1 3.18Å; R134-E146 IonicContact NE-OE1 3.45Å; R134-E146 PolarHBondContact NE-OE1 3.32Å; R134-E146 IonicContact NH2-OE1 2.96Å; R134-E146 PolarHBondContact NH2-OE1 3.2Å; R134-E146 IonicContact NH2-OE2 3.5Å; L143-E146 HydrophobicContact CD1-CG 4.44Å; L143-E146 HydrophobicContact CD2-CG 3.81Å; L143-E146 WeakPolarHBondContact CD2-OE1 3.21Å; L143-E146 HydrophobicContact CG-CG 4.29Å; E146-F148 HydrophobicContact CB-CD2 4.39Å; E146-F148 HydrophobicContact CB-CE2 3.67Å; E146-F148 HydrophobicContact CB-CZ 4.29Å; E146-F148 VanDerWaalsContact OE2-CE2 3.28Å; E146-F148 WeakPolarHBondContact OE2-CE2 3.1Å; E146-F148 VanDerWaalsContact OE2-CZ 3.26Å; E146-F148 WeakPolarHBondContact OE2-CZ 3.49Å
147	L	94.5	Very high	92	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.021	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	122	179.5	-51.9	174.3	0	0	0	110.2	V133 I135 F166 W180 W182	V133-L147 HydrophobicContact CB-CB 4.23Å; V133-L147 PolarHBondContact N-O 2.79Å; V133-L147 PolarHBondContact O-N 2.87Å; I135-L147 HydrophobicContact CD1-CD1 4.18Å; L147-F166 HydrophobicContact CD1-CD1 3.72Å; L147-F166 HydrophobicContact CD1-CE1 4.1Å; L147-W180 HydrophobicContact CB-CD2 4.31Å; L147-W180 HydrophobicContact CB-CE3 4.27Å; L147-W180 HydrophobicContact CB-CZ3 4.36Å; L147-W180 HydrophobicContact CD1-CB 4.08Å; L147-W180 HydrophobicContact CD1-CD2 4.09Å; L147-W180 HydrophobicContact CD1-CG 3.88Å; L147-W180 HydrophobicContact CD2-CE3 4.19Å; L147-W182 HydrophobicContact CD1-CB 4.1Å
148	F	93.6	Very high	92	Very high	118 Å²	118	46.4 Å²	46.4	52%	0.518	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	126.4	-178.7	-65.3	-85.1	0	0	0	111.2	A132 E146 W180	A132-F148 HydrophobicContact CB-CD1 4.27Å; A132-F148 HydrophobicContact CB-CE1 3.73Å; A132-F148 HydrophobicContact CB-CZ 4Å; E146-F148 HydrophobicContact CB-CD2 4.39Å; E146-F148 HydrophobicContact CB-CE2 3.67Å; E146-F148 HydrophobicContact CB-CZ 4.29Å; E146-F148 VanDerWaalsContact OE2-CE2 3.28Å; E146-F148 WeakPolarHBondContact OE2-CE2 3.1Å; E146-F148 VanDerWaalsContact OE2-CZ 3.26Å; E146-F148 WeakPolarHBondContact OE2-CZ 3.49Å; F148-W180 WeakPolarHBondContact O-CH2 3.31Å
149	G	88.2	Confident	92.2	Very high	35 Å²	35	45.8 Å²	45.8	36%	0.361	25%	0.254	S	S	.	.			trans	179.9	-8	179.5	0	0	0	0	0	116.4
150	H	93.4	Very high	92.4	Very high	9 Å²	9	40 Å²	40	4%	0.042	22%	0.223	C	C	.	.			trans	-97.2	167.9	166.2	-67.1	-68.7	0	0	0	110.8	P131 I154 S168 G170 D174 V176 N178	P131-H150 HydrophobicContact CG-CB 3.9Å; H150-I154 HydrophobicContact CB-CD1 4.38Å; H150-I154 HydrophobicContact CB-CG1 3.98Å; H150-S168 PolarHBondContact CD2-OG 3.4Å; H150-S168 VanDerWaalsContact CD2-OG 3.32Å; H150-S168 PolarHBondContact NE2-O 2.97Å; H150-S168 PolarHBondContact NE2-OG 2.84Å; H150-G170 PolarHBondContact CE1-N 2.98Å; H150-G170 VanDerWaalsContact CE1-N 3.26Å; H150-D174 VanDerWaalsContact CA-OD2 3.29Å; H150-D174 WeakPolarHBondContact CA-OD2 3.45Å; H150-D174 IonicContact CE1-OD1 3.52Å; H150-D174 IonicContact CG-OD1 3.21Å; H150-D174 IonicContact CG-OD2 2.79Å; H150-D174 IonicContact ND1-OD1 2.69Å; H150-D174 PolarHBondContact ND1-OD1 2.86Å; H150-D174 IonicContact ND1-OD2 3.66Å; H150-V176 PolarHBondContact CE1-O 3.37Å; H150-N178 PolarHBondContact CE1-ND2 3.31Å; H150-N178 PolarHBondContact NE2-ND2 3.38Å
151	T	93.3	Very high	92.8	Very high	65 Å²	65	38.6 Å²	38.6	40%	0.399	22%	0.218	S	C	.	.	S	Bend	trans	-119.8	-36.7	-167.7	50.9	0	0	0	0	114.3	Q130 D174	Q130-T151 PolarHBondContact N-O 3.37Å; T151-D174 PolarHBondContact N-OD2 3.29Å; T151-D174 PolarHBondContact OG1-OD2 3.42Å
152	F	89.7	Confident	92.9	Very high	99 Å²	99	37.1 Å²	37.1	43%	0.434	21%	0.214	S	C	.	.	S	Bend	trans	-123.8	-22.9	-172.4	-61.5	-70.5	0	0	0	115.5	G128 H173	G128-F152 CarbonylContact C-O 3.57Å; G128-F152 PolarHBondContact N-O 3.07Å; G128-F152 CarbonylContact O-C 3.6Å; G128-F152 WeakPolarHBondContact O-CA 3.47Å; G128-F152 VanDerWaalsContact O-O 3.08Å; F152-H173 HydrophobicContact CB-CB 4.07Å; F152-H173 HydrophobicContact CD2-CB 3.46Å; F152-H173 VanDerWaalsContact CD2-CB 3.46Å; F152-H173 HydrophobicContact CE2-CB 4.05Å; F152-H173 HydrophobicContact CG-CB 3.86Å
153	G	91.2	Very high	93	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	159.7	158.1	179.4	0	0	0	0	0	112.2	E126 N171	E126-G153 WeakPolarHBondContact O-CA 3.45Å; G153-N171 WeakPolarHBondContact CA-ND2 3.42Å; G153-N171 PolarHBondContact N-ND2 2.84Å; G153-N171 PolarHBondContact O-N 2.97Å
154	I	95.4	Very high	92.8	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.015	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	122	-174.3	-51.3	-179.2	0	0	0	108.5	T111 A125 E126 P131 V133 H150 V157 V169	T111-I154 PolarHBondContact OG1-O 3.38Å; A125-I154 HydrophobicContact CB-CB 3.89Å; A125-I154 HydrophobicContact CB-CD1 4.31Å; A125-I154 HydrophobicContact CB-CG2 3.81Å; E126-I154 PolarHBondContact O-N 3.08Å; E126-I154 VanDerWaalsContact O-N 3.08Å; P131-I154 HydrophobicContact CB-CD1 4.26Å; P131-I154 HydrophobicContact CB-CG1 4.15Å; P131-I154 HydrophobicContact CG-CD1 4.23Å; P131-I154 HydrophobicContact CG-CG1 3.89Å; V133-I154 HydrophobicContact CG2-CD1 3.47Å; V133-I154 VanDerWaalsContact CG2-CD1 3.47Å; H150-I154 HydrophobicContact CB-CD1 4.38Å; H150-I154 HydrophobicContact CB-CG1 3.98Å; I154-V157 HydrophobicContact CG2-CG1 4.08Å; I154-V169 CarbonylContact C-O 3.58Å; I154-V169 WeakPolarHBondContact CA-O 3.48Å; I154-V169 WeakPolarHBondContact CG2-O 3.39Å
155	A	93.6	Very high	92.8	Very high	25 Å²	25	39.2 Å²	39.2	21%	0.207	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-30.9	-174.9	0	0	0	0	0	113.3	A70 V169	A70-A155 WeakPolarHBondContact CB-O 3.17Å; A155-V169 PolarHBondContact N-O 2.8Å
156	C	94.3	Very high	92.8	Very high	4 Å²	4	38.4 Å²	38.4	3%	0.027	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	144.2	177.5	-42.7	0	0	0	0	110.7	S112 S168 V169	S112-C156 WeakPolarHBondContact OG-CA 3.39Å; C156-S168 WeakPolarHBondContact O-CA 3.3Å; C156-V169 HydrophobicContact CB-CB 4.13Å; C156-V169 HydrophobicContact CB-CG2 4.18Å; C156-V169 PolarHBondContact N-O 3.44Å; C156-V169 PolarHBondContact O-N 2.92Å
157	V	96.8	Very high	92.9	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.024	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	148.8	164.1	-81.1	0	0	0	0	112	S112 S114 A125 V133 I154 F166 I167	S112-V157 WeakPolarHBondContact OG-CG2 3.4Å; S112-V157 PolarHBondContact OG-N 3.22Å; S112-V157 VanDerWaalsContact OG-N 3.08Å; S114-V157 WeakPolarHBondContact CB-O 3.46Å; A125-V157 HydrophobicContact CB-CB 4.42Å; A125-V157 HydrophobicContact CB-CG1 3.62Å; A125-V157 HydrophobicContact CB-CG2 3.93Å; V133-V157 HydrophobicContact CG1-CG1 4.13Å; V133-V157 HydrophobicContact CG2-CG1 3.85Å; I154-V157 HydrophobicContact CG2-CG1 4.08Å; V157-F166 HydrophobicContact CB-CE1 4.24Å; V157-F166 HydrophobicContact CB-CE2 4.24Å; V157-F166 HydrophobicContact CB-CZ 3.52Å; V157-F166 HydrophobicContact CG1-CE1 3.83Å; V157-F166 HydrophobicContact CG1-CZ 3.55Å; V157-F166 HydrophobicContact CG2-CZ 4.45Å; V157-I167 VanDerWaalsContact CA-O 3.3Å; V157-I167 WeakPolarHBondContact CA-O 3.35Å
158	L	95	Very high	93	Very high	34 Å²	34	34.6 Å²	34.6	18%	0.178	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	136.6	178.3	-65.7	172.6	0	0	0	112.4	F166 I167 A200 F202	L158-F166 CarbonylContact O-C 3.51Å; L158-F166 WeakPolarHBondContact O-CA 3.3Å; L158-F166 VanDerWaalsContact O-CD2 3.29Å; L158-F166 WeakPolarHBondContact O-CD2 3.42Å; L158-I167 HydrophobicContact CB-CB 4.49Å; L158-I167 PolarHBondContact N-O 2.81Å; L158-I167 PolarHBondContact O-N 3Å; L158-A200 HydrophobicContact CD1-CB 3.74Å; L158-F202 HydrophobicContact CB-CD2 3.89Å; L158-F202 HydrophobicContact CB-CE2 3.88Å; L158-F202 HydrophobicContact CD1-CD2 4.07Å
159	F	95.7	Very high	93.2	Very high	10 Å²	10	29 Å²	29	4%	0.044	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	143.2	160	-75.9	-83.7	0	0	0	112	S114 F115 A123 I135 M163 F166 W182 F202	S114-F159 WeakPolarHBondContact O-CE2 3.37Å; F115-F159 WeakPolarHBondContact O-CD2 3.49Å; A123-F159 HydrophobicContact CB-CD2 4.47Å; A123-F159 HydrophobicContact CB-CE2 3.65Å; A123-F159 HydrophobicContact CB-CZ 4.13Å; I135-F159 HydrophobicContact CD1-CE1 4.28Å; I135-F159 HydrophobicContact CD1-CZ 4.15Å; I135-F159 HydrophobicContact CG1-CZ 4.31Å; I135-F159 HydrophobicContact CG2-CZ 3.93Å; F159-M163 HydrophobicContact CB-SD 4.42Å; F159-M163 HydrophobicContact CD1-SD 3.6Å; F159-M163 HydrophobicContact CE1-CE 4.5Å; F159-M163 HydrophobicContact CE1-SD 4.15Å; F159-M163 HydrophobicContact CG-SD 4.21Å; F159-F166 AromaticContact CD1-CD2 3.75Å; F159-F166 HydrophobicContact CD1-CD2 3.75Å; F159-F166 HydrophobicContact CD1-CE2 4.46Å; F159-F166 HydrophobicContact CD2-CD2 4.09Å; F159-F166 HydrophobicContact CD2-CE2 4.03Å; F159-F166 AromaticContact CE1-CD2 3.85Å; F159-F166 HydrophobicContact CE1-CD2 3.85Å; F159-F166 HydrophobicContact CE1-CE2 4.39Å; F159-F166 HydrophobicContact CE2-CD2 4.2Å; F159-F166 AromaticContact CE2-CE2 3.97Å; F159-F166 HydrophobicContact CE2-CE2 3.97Å; F159-F166 AromaticContact CG-CD2 3.88Å; F159-F166 HydrophobicContact CG-CD2 3.88Å; F159-F166 HydrophobicContact CG-CE2 4.29Å; F159-F166 HydrophobicContact CZ-CD2 4.08Å; F159-F166 HydrophobicContact CZ-CE2 4.15Å; F159-W182 HydrophobicContact CD1-CZ2 4.48Å; F159-W182 HydrophobicContact CE1-CD2 4.2Å; F159-W182 AromaticContact CE1-CE2 3.75Å; F159-W182 HydrophobicContact CE1-CH2 4.39Å; F159-W182 AromaticContact CE1-CZ2 3.85Å; F159-W182 HydrophobicContact CE1-CZ2 3.85Å; F159-F202 VanDerWaalsContact C-CE2 3.48Å; F159-F202 WeakPolarHBondContact O-CD2 3.47Å; F159-F202 WeakPolarHBondContact O-CE2 3.41Å
160	S	94.2	Very high	93.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.138	C	C	.	.			trans	-72.1	142.7	166.3	67.3	0	0	0	0	110.7	N162 M163 R164 Y165 F202	S160-N162 PolarHBondContact O-N 2.97Å; S160-N162 VanDerWaalsContact O-N 3.08Å; S160-N162 PolarHBondContact OG-OD1 3.21Å; S160-N162 VanDerWaalsContact OG-OD1 3.08Å; S160-M163 PolarHBondContact O-N 2.79Å; S160-M163 PolarHBondContact OG-N 2.68Å; S160-R164 PolarHBondContact OG-N 3.18Å; S160-Y165 WeakPolarHBondContact CB-O 3.31Å; S160-Y165 PolarHBondContact N-O 2.83Å; S160-Y165 PolarHBondContact OG-N 2.84Å; S160-Y165 PolarHBondContact OG-O 3.08Å; S160-F202 VanDerWaalsContact CA-CE2 3.49Å; S160-F202 VanDerWaalsContact CB-CZ 3.48Å
161	P	92.5	Very high	93.3	Very high	50 Å²	50	27.8 Å²	27.8	33%	0.325	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-35.8	176.7	-32.2	37.8	0	0	0	114.8	M163 F202 E204	P161-M163 VanDerWaalsContact C-N 3.28Å; P161-M163 PolarHBondContact O-N 2.81Å; P161-F202 HydrophobicContact CG-CB 4.16Å; P161-E204 WeakPolarHBondContact CB-O 3.49Å; P161-E204 VanDerWaalsContact CG-O 3.32Å; P161-E204 WeakPolarHBondContact CG-O 3.27Å
162	N	87.4	Confident	93.1	Very high	79 Å²	79	27.3 Å²	27.3	42%	0.422	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	11.6	178.5	61.6	43.5	0	0	0	114.8	S160 R164	S160-N162 PolarHBondContact O-N 2.97Å; S160-N162 VanDerWaalsContact O-N 3.08Å; S160-N162 PolarHBondContact OG-OD1 3.21Å; S160-N162 VanDerWaalsContact OG-OD1 3.08Å; N162-R164 PolarHBondContact O-N 3.16Å; N162-R164 VanDerWaalsContact OD1-CB 3.3Å; N162-R164 WeakPolarHBondContact OD1-CB 3.4Å; N162-R164 PolarHBondContact OD1-N 3.04Å
163	M	91.8	Very high	93.1	Very high	18 Å²	18	25.7 Å²	25.7	9%	0.089	13%	0.127	C	C	.	.	S	Bend	trans	53.5	12.5	177	-83.3	-67.9	-92.5	0	0	117.2	S116 D118 Y121 F159 S160 P161 W182 K183	S116-M163 VanDerWaalsContact CB-SD 3.55Å; D118-M163 WeakPolarHBondContact OD2-CE 3.44Å; Y121-M163 HydrophobicContact CD2-CE 3.62Å; Y121-M163 HydrophobicContact CE2-CE 4.01Å; F159-M163 HydrophobicContact CB-SD 4.42Å; F159-M163 HydrophobicContact CD1-SD 3.6Å; F159-M163 HydrophobicContact CE1-CE 4.5Å; F159-M163 HydrophobicContact CE1-SD 4.15Å; F159-M163 HydrophobicContact CG-SD 4.21Å; S160-M163 PolarHBondContact O-N 2.79Å; S160-M163 PolarHBondContact OG-N 2.68Å; P161-M163 VanDerWaalsContact C-N 3.28Å; P161-M163 PolarHBondContact O-N 2.81Å; M163-W182 HydrophobicContact CE-CH2 4.15Å; M163-W182 HydrophobicContact CE-CZ2 3.58Å; M163-W182 PolarHBondContact O-NE1 3.13Å; M163-W182 HydrophobicContact SD-CZ2 4.17Å; M163-K183 WeakPolarHBondContact O-CE 3.25Å
164	R	88.6	Confident	93	Very high	144 Å²	144	26.3 Å²	26.3	54%	0.543	13%	0.13	S	C	.	.	S	Bend	trans	-89	-36.3	179.7	-178.5	179.3	173.1	167.6	-1.1	112.8	S160 N162	S160-R164 PolarHBondContact OG-N 3.18Å; N162-R164 PolarHBondContact O-N 3.16Å; N162-R164 VanDerWaalsContact OD1-CB 3.3Å; N162-R164 WeakPolarHBondContact OD1-CB 3.4Å; N162-R164 PolarHBondContact OD1-N 3.04Å
165	Y	91.5	Very high	92.8	Very high	28 Å²	28	28.3 Å²	28.3	11%	0.11	14%	0.14	C	C	.	.			trans	-118	155.9	-177.1	-57.9	-59.8	0	0	0	111.5	S160 V179 W180 V188 L222	S160-Y165 WeakPolarHBondContact CB-O 3.31Å; S160-Y165 PolarHBondContact N-O 2.83Å; S160-Y165 PolarHBondContact OG-N 2.84Å; S160-Y165 PolarHBondContact OG-O 3.08Å; Y165-V179 HydrophobicContact CD1-CG1 4.38Å; Y165-V179 HydrophobicContact CG-CG1 4.37Å; Y165-W180 CarbonylContact C-O 3.53Å; Y165-W180 VanDerWaalsContact CA-O 3.3Å; Y165-W180 WeakPolarHBondContact CA-O 3.29Å; Y165-V188 HydrophobicContact CE1-CG1 4.36Å; Y165-V188 HydrophobicContact CE1-CG2 4.49Å; Y165-L222 HydrophobicContact CD2-CD1 3.87Å; Y165-L222 HydrophobicContact CE2-CD1 4.37Å
166	F	94.6	Very high	92.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	149.6	172.6	-179.6	-94	0	0	0	108.6	A123 V133 I135 L147 V157 L158 F159 V179 W180 W182	A123-F166 HydrophobicContact CB-CE2 3.36Å; A123-F166 HydrophobicContact CB-CZ 3.5Å; A123-F166 VanDerWaalsContact CB-CZ 3.5Å; V133-F166 HydrophobicContact CB-CE1 4.33Å; V133-F166 HydrophobicContact CG1-CE1 3.71Å; V133-F166 HydrophobicContact CG1-CZ 3.66Å; V133-F166 HydrophobicContact CG2-CE1 4.2Å; I135-F166 HydrophobicContact CD1-CD2 4.38Å; I135-F166 HydrophobicContact CD1-CG 4.43Å; L147-F166 HydrophobicContact CD1-CD1 3.72Å; L147-F166 HydrophobicContact CD1-CE1 4.1Å; V157-F166 HydrophobicContact CB-CE1 4.24Å; V157-F166 HydrophobicContact CB-CE2 4.24Å; V157-F166 HydrophobicContact CB-CZ 3.52Å; V157-F166 HydrophobicContact CG1-CE1 3.83Å; V157-F166 HydrophobicContact CG1-CZ 3.55Å; V157-F166 HydrophobicContact CG2-CZ 4.45Å; L158-F166 CarbonylContact O-C 3.51Å; L158-F166 WeakPolarHBondContact O-CA 3.3Å; L158-F166 VanDerWaalsContact O-CD2 3.29Å; L158-F166 WeakPolarHBondContact O-CD2 3.42Å; F159-F166 AromaticContact CD1-CD2 3.75Å; F159-F166 HydrophobicContact CD1-CD2 3.75Å; F159-F166 HydrophobicContact CD1-CE2 4.46Å; F159-F166 HydrophobicContact CD2-CD2 4.09Å; F159-F166 HydrophobicContact CD2-CE2 4.03Å; F159-F166 AromaticContact CE1-CD2 3.85Å; F159-F166 HydrophobicContact CE1-CD2 3.85Å; F159-F166 HydrophobicContact CE1-CE2 4.39Å; F159-F166 HydrophobicContact CE2-CD2 4.2Å; F159-F166 AromaticContact CE2-CE2 3.97Å; F159-F166 HydrophobicContact CE2-CE2 3.97Å; F159-F166 AromaticContact CG-CD2 3.88Å; F159-F166 HydrophobicContact CG-CD2 3.88Å; F159-F166 HydrophobicContact CG-CE2 4.29Å; F159-F166 HydrophobicContact CZ-CD2 4.08Å; F159-F166 HydrophobicContact CZ-CE2 4.15Å; F166-V179 CarbonylContact O-C 3.58Å; F166-V179 WeakPolarHBondContact O-CA 3.41Å; F166-W180 HydrophobicContact CB-CB 4.34Å; F166-W180 AromaticContact CD1-CD1 3.84Å; F166-W180 HydrophobicContact CD1-CG 4.45Å; F166-W180 PolarHBondContact N-O 3.17Å; F166-W180 PolarHBondContact O-N 3.39Å; F166-W182 HydrophobicContact CB-CB 3.92Å; F166-W182 HydrophobicContact CB-CG 4.03Å
167	I	95.7	Very high	92.9	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	138.6	-177.2	-60.8	-178	0	0	0	109.4	V157 L158 V169 V177 N178 V179 F202 F209	V157-I167 VanDerWaalsContact CA-O 3.3Å; V157-I167 WeakPolarHBondContact CA-O 3.35Å; L158-I167 HydrophobicContact CB-CB 4.49Å; L158-I167 PolarHBondContact N-O 2.81Å; L158-I167 PolarHBondContact O-N 3Å; I167-V169 HydrophobicContact CG2-CG2 4.17Å; I167-V177 HydrophobicContact CG2-CG1 3.99Å; I167-N178 WeakPolarHBondContact CA-O 3.43Å; I167-V179 HydrophobicContact CG1-CG1 4.45Å; I167-V179 HydrophobicContact CG1-CG2 4.34Å; I167-F202 HydrophobicContact CD1-CD2 4.4Å; I167-F202 HydrophobicContact CD1-CE1 3.97Å; I167-F202 HydrophobicContact CD1-CE2 3.47Å; I167-F202 VanDerWaalsContact CD1-CE2 3.47Å; I167-F202 HydrophobicContact CD1-CZ 3.22Å; I167-F202 HydrophobicContact CG1-CE2 3.85Å; I167-F202 HydrophobicContact CG1-CZ 3.69Å; I167-F209 HydrophobicContact CD1-CB 4.09Å; I167-F209 HydrophobicContact CD1-CD1 3.29Å; I167-F209 HydrophobicContact CD1-CD2 3.68Å; I167-F209 HydrophobicContact CD1-CE1 3.4Å; I167-F209 VanDerWaalsContact CD1-CE1 3.4Å; I167-F209 HydrophobicContact CD1-CE2 3.78Å; I167-F209 HydrophobicContact CD1-CG 3.42Å; I167-F209 VanDerWaalsContact CD1-CG 3.42Å; I167-F209 HydrophobicContact CD1-CZ 3.63Å; I167-F209 HydrophobicContact CG2-CE2 4.26Å; I167-F209 HydrophobicContact CG2-CZ 4.43Å
168	S	96.9	Very high	92.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	138	165.1	65.9	0	0	0	0	110.4	H150 C156 N178 W180	H150-S168 PolarHBondContact CD2-OG 3.4Å; H150-S168 VanDerWaalsContact CD2-OG 3.32Å; H150-S168 PolarHBondContact NE2-O 2.97Å; H150-S168 PolarHBondContact NE2-OG 2.84Å; C156-S168 WeakPolarHBondContact O-CA 3.3Å; S168-N178 PolarHBondContact N-O 3.4Å; S168-N178 PolarHBondContact O-N 2.82Å; S168-W180 PolarHBondContact OG-NE1 2.87Å
169	V	96.6	Very high	92.9	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.006	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.9	179.3	-174.1	0	0	0	0	109	I154 A155 C156 I167 V177 V197	I154-V169 CarbonylContact C-O 3.58Å; I154-V169 WeakPolarHBondContact CA-O 3.48Å; I154-V169 WeakPolarHBondContact CG2-O 3.39Å; A155-V169 PolarHBondContact N-O 2.8Å; C156-V169 HydrophobicContact CB-CB 4.13Å; C156-V169 HydrophobicContact CB-CG2 4.18Å; C156-V169 PolarHBondContact N-O 3.44Å; C156-V169 PolarHBondContact O-N 2.92Å; I167-V169 HydrophobicContact CG2-CG2 4.17Å; V169-V177 HydrophobicContact CG1-CG2 4.14Å; V169-V177 HydrophobicContact CG2-CG1 4.38Å; V169-V177 HydrophobicContact CG2-CG2 4.23Å; V169-V197 HydrophobicContact CG1-CB 3.82Å; V169-V197 HydrophobicContact CG1-CG1 4.02Å; V169-V197 HydrophobicContact CG1-CG2 3.85Å
170	G	94.3	Very high	92.8	Very high	2 Å²	2	26.1 Å²	26.1	2%	0.021	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	154.3	179	0	0	0	0	0	112.9	H150 V176	H150-G170 PolarHBondContact CE1-N 2.98Å; H150-G170 VanDerWaalsContact CE1-N 3.26Å; G170-V176 PolarHBondContact N-O 3.07Å
171	N	89.8	Confident	92.7	Very high	16 Å²	16	28 Å²	28	9%	0.086	14%	0.136	C	C	.	.			trans	-68.4	-175.8	175.4	73.4	11.7	0	0	0	113.1	G153 H173 D174 L175	G153-N171 WeakPolarHBondContact CA-ND2 3.42Å; G153-N171 PolarHBondContact N-ND2 2.84Å; G153-N171 PolarHBondContact O-N 2.97Å; N171-H173 PolarHBondContact O-N 2.8Å; N171-H173 PolarHBondContact OD1-N 3.49Å; N171-D174 PolarHBondContact O-N 2.83Å; N171-L175 PolarHBondContact O-N 3.34Å
172	E	88.9	Confident	92.7	Very high	56 Å²	56	26 Å²	26	26%	0.262	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-15.8	-174.6	63.2	179	-134.1	0	0	116	L175 K196	E172-L175 WeakPolarHBondContact O-CG 3.43Å; E172-K196 HydrophobicContact CB-CB 4.22Å; E172-K196 HydrophobicContact CB-CD 4.07Å; E172-K196 HydrophobicContact CB-CG 3.94Å; E172-K196 VanDerWaalsContact OE2-CD 3.28Å; E172-K196 WeakPolarHBondContact OE2-CD 3.3Å; E172-K196 WeakPolarHBondContact OE2-CE 3.32Å; E172-K196 IonicContact OE2-NZ 2.77Å; E172-K196 PolarHBondContact OE2-NZ 3.21Å
173	H	89.7	Confident	92.9	Very high	65 Å²	65	28 Å²	28	30%	0.301	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-20	177	-46.3	-52.1	0	0	0	113	F152 N171 N1006 A1007	F152-H173 HydrophobicContact CB-CB 4.07Å; F152-H173 HydrophobicContact CD2-CB 3.46Å; F152-H173 VanDerWaalsContact CD2-CB 3.46Å; F152-H173 HydrophobicContact CE2-CB 4.05Å; F152-H173 HydrophobicContact CG-CB 3.86Å; N171-H173 PolarHBondContact O-N 2.8Å; N171-H173 PolarHBondContact OD1-N 3.49Å; H173-N1006 PolarHBondContact CE1-O 2.98Å; H173-A1007 VanDerWaalsContact NE2-CA 3.28Å; H173-A1007 WeakPolarHBondContact NE2-CA 3.36Å; H173-A1007 WeakPolarHBondContact NE2-CB 3.41Å
174	D	89.3	Confident	92.7	Very high	13 Å²	13	32.1 Å²	32.1	7%	0.07	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-50.6	-175.3	-166.6	-72.3	0	0	0	110.3	H150 T151 N171 V176	H150-D174 VanDerWaalsContact CA-OD2 3.29Å; H150-D174 WeakPolarHBondContact CA-OD2 3.45Å; H150-D174 IonicContact CE1-OD1 3.52Å; H150-D174 IonicContact CG-OD1 3.21Å; H150-D174 IonicContact CG-OD2 2.79Å; H150-D174 IonicContact ND1-OD1 2.69Å; H150-D174 PolarHBondContact ND1-OD1 2.86Å; H150-D174 IonicContact ND1-OD2 3.66Å; T151-D174 PolarHBondContact N-OD2 3.29Å; T151-D174 PolarHBondContact OG1-OD2 3.42Å; N171-D174 PolarHBondContact O-N 2.83Å; D174-V176 PolarHBondContact O-N 3.36Å; D174-V176 VanDerWaalsContact O-N 3.1Å; D174-V176 VanDerWaalsContact OD1-CB 3.28Å; D174-V176 WeakPolarHBondContact OD1-CB 3.5Å; D174-V176 WeakPolarHBondContact OD1-CG2 3.44Å; D174-V176 PolarHBondContact OD1-N 2.93Å
175	L	92.5	Very high	92.7	Very high	44 Å²	44	27.2 Å²	27.2	23%	0.23	14%	0.144	C	C	.	.			trans	53.1	23.3	177.7	-59.4	175.6	0	0	0	114.8	N171 E172 K192 V193	N171-L175 PolarHBondContact O-N 3.34Å; E172-L175 WeakPolarHBondContact O-CG 3.43Å; L175-K192 CarbonylContact O-C 3.58Å; L175-K192 VanDerWaalsContact O-CA 3.31Å; L175-K192 WeakPolarHBondContact O-CA 3.38Å; L175-V193 PolarHBondContact O-N 2.68Å
176	V	94.5	Very high	92.6	Very high	22 Å²	22	29.5 Å²	29.5	13%	0.133	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	144.1	173.4	-179.2	0	0	0	0	110.5	H150 G170 D174 N178 S190 K192	H150-V176 PolarHBondContact CE1-O 3.37Å; G170-V176 PolarHBondContact N-O 3.07Å; D174-V176 PolarHBondContact O-N 3.36Å; D174-V176 VanDerWaalsContact O-N 3.1Å; D174-V176 VanDerWaalsContact OD1-CB 3.28Å; D174-V176 WeakPolarHBondContact OD1-CB 3.5Å; D174-V176 WeakPolarHBondContact OD1-CG2 3.44Å; D174-V176 PolarHBondContact OD1-N 2.93Å; V176-N178 VanDerWaalsContact CG1-OD1 3.28Å; V176-N178 WeakPolarHBondContact CG1-OD1 3.31Å; V176-S190 VanDerWaalsContact CG1-OG 3.29Å; V176-S190 WeakPolarHBondContact CG1-OG 3.48Å; V176-K192 HydrophobicContact CG2-CG 4.19Å
177	V	95.7	Very high	92.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	124.4	159.6	-179.7	0	0	0	0	107.6	I167 V169 S190 N191 V193 F209 T211 W220 L238	I167-V177 HydrophobicContact CG2-CG1 3.99Å; V169-V177 HydrophobicContact CG1-CG2 4.14Å; V169-V177 HydrophobicContact CG2-CG1 4.38Å; V169-V177 HydrophobicContact CG2-CG2 4.23Å; V177-S190 VanDerWaalsContact O-CA 3.32Å; V177-S190 WeakPolarHBondContact O-CA 3.37Å; V177-N191 PolarHBondContact N-O 3.47Å; V177-N191 PolarHBondContact O-N 3.12Å; V177-N191 VanDerWaalsContact O-N 3.08Å; V177-V193 HydrophobicContact CG2-CG2 3.58Å; V177-F209 HydrophobicContact CG1-CE2 3.89Å; V177-F209 HydrophobicContact CG1-CZ 3.71Å; V177-T211 HydrophobicContact CG2-CG2 4.46Å; V177-W220 HydrophobicContact CG2-CZ2 4.1Å; V177-L238 HydrophobicContact CG1-CD2 4.22Å
178	N	95.3	Very high	92.2	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	139.7	175.7	-67.7	-51.9	0	0	0	110	H150 I167 S168 V176 W180 K187 S190	H150-N178 PolarHBondContact CE1-ND2 3.31Å; H150-N178 PolarHBondContact NE2-ND2 3.38Å; I167-N178 WeakPolarHBondContact CA-O 3.43Å; S168-N178 PolarHBondContact N-O 3.4Å; S168-N178 PolarHBondContact O-N 2.82Å; V176-N178 VanDerWaalsContact CG1-OD1 3.28Å; V176-N178 WeakPolarHBondContact CG1-OD1 3.31Å; N178-W180 HydrophobicContact CB-CZ2 3.65Å; N178-K187 HydrophobicContact CB-CD 4.46Å; N178-K187 WeakPolarHBondContact OD1-CD 3.48Å; N178-S190 WeakPolarHBondContact OD1-CB 3.44Å; N178-S190 PolarHBondContact OD1-OG 3.25Å
179	V	95.1	Very high	91.9	Very high	1 Å²	1	34 Å²	34	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	129.3	174.3	-172.5	0	0	0	0	108.7	Y165 F166 I167 V188 A189 F209 L222 L238	Y165-V179 HydrophobicContact CD1-CG1 4.38Å; Y165-V179 HydrophobicContact CG-CG1 4.37Å; F166-V179 CarbonylContact O-C 3.58Å; F166-V179 WeakPolarHBondContact O-CA 3.41Å; I167-V179 HydrophobicContact CG1-CG1 4.45Å; I167-V179 HydrophobicContact CG1-CG2 4.34Å; V179-V188 PolarHBondContact O-N 2.94Å; V179-A189 HydrophobicContact CB-CB 4.15Å; V179-A189 HydrophobicContact CG2-CB 4.37Å; V179-A189 PolarHBondContact N-O 3.2Å; V179-A189 PolarHBondContact O-N 2.95Å; V179-A189 VanDerWaalsContact O-N 3.13Å; V179-F209 HydrophobicContact CG2-CE1 4.28Å; V179-F209 HydrophobicContact CG2-CZ 4.43Å; V179-L222 HydrophobicContact CG1-CD2 4.06Å; V179-L222 HydrophobicContact CG2-CD2 4.25Å; V179-L238 HydrophobicContact CG2-CD1 4.18Å; V179-L238 HydrophobicContact CG2-CD2 3.98Å
180	W	93.8	Very high	91.8	Very high	8 Å²	8	35.3 Å²	35.3	3%	0.03	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	138.5	-168.2	-50.7	89.9	0	0	0	111.4	L147 F148 Y165 F166 S168 N178 W182 L186 K187	L147-W180 HydrophobicContact CB-CD2 4.31Å; L147-W180 HydrophobicContact CB-CE3 4.27Å; L147-W180 HydrophobicContact CB-CZ3 4.36Å; L147-W180 HydrophobicContact CD1-CB 4.08Å; L147-W180 HydrophobicContact CD1-CD2 4.09Å; L147-W180 HydrophobicContact CD1-CG 3.88Å; L147-W180 HydrophobicContact CD2-CE3 4.19Å; F148-W180 WeakPolarHBondContact O-CH2 3.31Å; Y165-W180 CarbonylContact C-O 3.53Å; Y165-W180 VanDerWaalsContact CA-O 3.3Å; Y165-W180 WeakPolarHBondContact CA-O 3.29Å; F166-W180 HydrophobicContact CB-CB 4.34Å; F166-W180 AromaticContact CD1-CD1 3.84Å; F166-W180 HydrophobicContact CD1-CG 4.45Å; F166-W180 PolarHBondContact N-O 3.17Å; F166-W180 PolarHBondContact O-N 3.39Å; S168-W180 PolarHBondContact OG-NE1 2.87Å; N178-W180 HydrophobicContact CB-CZ2 3.65Å; W180-W182 VanDerWaalsContact C-N 3.35Å; W180-W182 PolarHBondContact O-N 3.25Å; W180-L186 CarbonylContact C-O 3.57Å; W180-L186 WeakPolarHBondContact CA-O 3.31Å; W180-K187 HydrophobicContact CE3-CB 3.84Å; W180-K187 HydrophobicContact CE3-CG 4.43Å; W180-K187 HydrophobicContact CH2-CB 4.35Å; W180-K187 HydrophobicContact CH2-CD 4.34Å; W180-K187 HydrophobicContact CZ3-CB 3.71Å; W180-K187 HydrophobicContact CZ3-CG 4.31Å
181	D	91.7	Very high	91.7	Very high	38 Å²	38	38.2 Å²	38.2	20%	0.203	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	88.4	150.7	176	-15.9	0	0	0	105.8	K183 N184 G185 L186 V188	D181-K183 VanDerWaalsContact C-N 3.31Å; D181-K183 PolarHBondContact O-N 2.66Å; D181-N184 VanDerWaalsContact CG-ND2 3.27Å; D181-N184 CarbonylContact O-C 3.45Å; D181-N184 PolarHBondContact O-N 2.73Å; D181-N184 PolarHBondContact OD1-N 3.19Å; D181-N184 PolarHBondContact OD1-ND2 3.02Å; D181-N184 VanDerWaalsContact OD1-ND2 3.07Å; D181-N184 PolarHBondContact OD2-ND2 3Å; D181-G185 PolarHBondContact O-N 3.34Å; D181-L186 HydrophobicContact CB-CB 4.43Å; D181-L186 PolarHBondContact N-O 3.37Å; D181-L186 PolarHBondContact O-N 3.34Å; D181-V188 HydrophobicContact CB-CG2 3.62Å
182	W	92.6	Very high	91.9	Very high	9 Å²	9	44.1 Å²	44.1	3%	0.034	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-66.1	-33.2	-170.4	64.8	-87.3	0	0	0	112.6	Y121 I135 L147 F159 M163 F166 W180 N184 G185	Y121-W182 HydrophobicContact CD1-CH2 4.1Å; Y121-W182 HydrophobicContact CD1-CZ3 4.31Å; Y121-W182 HydrophobicContact CD2-CH2 4.03Å; Y121-W182 HydrophobicContact CE1-CH2 4.06Å; Y121-W182 HydrophobicContact CE1-CZ3 4.3Å; Y121-W182 HydrophobicContact CE2-CH2 4Å; Y121-W182 HydrophobicContact CG-CH2 4.08Å; I135-W182 HydrophobicContact CD1-CB 3.73Å; I135-W182 HydrophobicContact CD1-CD2 3.92Å; I135-W182 HydrophobicContact CD1-CE3 3.71Å; I135-W182 HydrophobicContact CD1-CG 3.99Å; I135-W182 HydrophobicContact CG2-CE3 4.2Å; I135-W182 HydrophobicContact CG2-CZ3 3.97Å; L147-W182 HydrophobicContact CD1-CB 4.1Å; F159-W182 HydrophobicContact CD1-CZ2 4.48Å; F159-W182 HydrophobicContact CE1-CD2 4.2Å; F159-W182 AromaticContact CE1-CE2 3.75Å; F159-W182 HydrophobicContact CE1-CH2 4.39Å; F159-W182 AromaticContact CE1-CZ2 3.85Å; F159-W182 HydrophobicContact CE1-CZ2 3.85Å; M163-W182 HydrophobicContact CE-CH2 4.15Å; M163-W182 HydrophobicContact CE-CZ2 3.58Å; M163-W182 PolarHBondContact O-NE1 3.13Å; M163-W182 HydrophobicContact SD-CZ2 4.17Å; F166-W182 HydrophobicContact CB-CB 3.92Å; F166-W182 HydrophobicContact CB-CG 4.03Å; W180-W182 VanDerWaalsContact C-N 3.35Å; W180-W182 PolarHBondContact O-N 3.25Å; W182-N184 PolarHBondContact O-N 3.14Å; W182-G185 PolarHBondContact O-N 3.38Å; W182-G185 VanDerWaalsContact O-N 3.08Å
183	K	91.7	Very high	92	Very high	121 Å²	121	42 Å²	42	53%	0.526	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-66.3	-24.8	178.1	-60.7	-174.6	-179.6	179.5	0	112.6	M163 D181	M163-K183 WeakPolarHBondContact O-CE 3.25Å; D181-K183 VanDerWaalsContact C-N 3.31Å; D181-K183 PolarHBondContact O-N 2.66Å
184	N	88.9	Confident	91.9	Very high	104 Å²	104	43.6 Å²	43.6	56%	0.556	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-103.3	-1.9	172.6	-68.3	-67.2	0	0	0	113.6	D181 W182 L186	D181-N184 VanDerWaalsContact CG-ND2 3.27Å; D181-N184 CarbonylContact O-C 3.45Å; D181-N184 PolarHBondContact O-N 2.73Å; D181-N184 PolarHBondContact OD1-N 3.19Å; D181-N184 PolarHBondContact OD1-ND2 3.02Å; D181-N184 VanDerWaalsContact OD1-ND2 3.07Å; D181-N184 PolarHBondContact OD2-ND2 3Å; W182-N184 PolarHBondContact O-N 3.14Å; N184-L186 HydrophobicContact CB-CD1 3.99Å; N184-L186 HydrophobicContact CB-CG 3.97Å; N184-L186 PolarHBondContact O-N 3.28Å
185	G	87.3	Confident	92	Very high	42 Å²	42	44.4 Å²	44.4	43%	0.433	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	18.3	-174.4	0	0	0	0	0	114.7	D181 W182	D181-G185 PolarHBondContact O-N 3.34Å; W182-G185 PolarHBondContact O-N 3.38Å; W182-G185 VanDerWaalsContact O-N 3.08Å
186	L	89.5	Confident	92	Very high	76 Å²	76	44.2 Å²	44.2	40%	0.398	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	130.1	-169.8	-65	178.3	0	0	0	112.6	W180 D181 N184 V188 L231	W180-L186 CarbonylContact C-O 3.57Å; W180-L186 WeakPolarHBondContact CA-O 3.31Å; D181-L186 HydrophobicContact CB-CB 4.43Å; D181-L186 PolarHBondContact N-O 3.37Å; D181-L186 PolarHBondContact O-N 3.34Å; N184-L186 HydrophobicContact CB-CD1 3.99Å; N184-L186 HydrophobicContact CB-CG 3.97Å; N184-L186 PolarHBondContact O-N 3.28Å; L186-V188 PolarHBondContact O-N 3.47Å; L186-L231 HydrophobicContact CD1-CD1 4.22Å
187	K	91	Very high	92	Very high	50 Å²	50	43.4 Å²	43.4	22%	0.217	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	105.1	167.8	-172.9	173.2	61.3	-172	0	110	N178 W180 E233 N234 G235	N178-K187 HydrophobicContact CB-CD 4.46Å; N178-K187 WeakPolarHBondContact OD1-CD 3.48Å; W180-K187 HydrophobicContact CE3-CB 3.84Å; W180-K187 HydrophobicContact CE3-CG 4.43Å; W180-K187 HydrophobicContact CH2-CB 4.35Å; W180-K187 HydrophobicContact CH2-CD 4.34Å; W180-K187 HydrophobicContact CZ3-CB 3.71Å; W180-K187 HydrophobicContact CZ3-CG 4.31Å; K187-E233 WeakPolarHBondContact CE-O 3.34Å; K187-N234 WeakPolarHBondContact CE-O 3.16Å; K187-G235 WeakPolarHBondContact O-CA 3.3Å
188	V	91.1	Very high	91.8	Very high	36 Å²	36	45 Å²	45	22%	0.218	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-42.2	-177.7	175.1	0	0	0	0	111.3	Y165 V179 D181 L186 G235 V236	Y165-V188 HydrophobicContact CE1-CG1 4.36Å; Y165-V188 HydrophobicContact CE1-CG2 4.49Å; V179-V188 PolarHBondContact O-N 2.94Å; D181-V188 HydrophobicContact CB-CG2 3.62Å; L186-V188 PolarHBondContact O-N 3.47Å; V188-G235 WeakPolarHBondContact O-CA 3.39Å; V188-V236 PolarHBondContact O-N 3.22Å
189	A	91.4	Very high	91.8	Very high	9 Å²	9	45.1 Å²	45.1	7%	0.074	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	157.8	-179.6	0	0	0	0	0	112.8	V179 V236 L238	V179-A189 HydrophobicContact CB-CB 4.15Å; V179-A189 HydrophobicContact CG2-CB 4.37Å; V179-A189 PolarHBondContact N-O 3.2Å; V179-A189 PolarHBondContact O-N 2.95Å; V179-A189 VanDerWaalsContact O-N 3.13Å; A189-V236 CarbonylContact C-O 3.56Å; A189-V236 WeakPolarHBondContact CA-O 3.42Å; A189-V236 VanDerWaalsContact CB-O 3.26Å; A189-V236 WeakPolarHBondContact CB-O 3.46Å; A189-L238 HydrophobicContact CB-CB 4.14Å; A189-L238 HydrophobicContact CB-CD1 4.3Å
190	S	93.1	Very high	91.8	Very high	28 Å²	28	45.8 Å²	45.8	20%	0.196	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	147	178.7	-175.9	0	0	0	0	111.2	V176 V177 N178 V236 P237 L238	V176-S190 VanDerWaalsContact CG1-OG 3.29Å; V176-S190 WeakPolarHBondContact CG1-OG 3.48Å; V177-S190 VanDerWaalsContact O-CA 3.32Å; V177-S190 WeakPolarHBondContact O-CA 3.37Å; N178-S190 WeakPolarHBondContact OD1-CB 3.44Å; N178-S190 PolarHBondContact OD1-OG 3.25Å; S190-V236 PolarHBondContact N-O 3.09Å; S190-P237 WeakPolarHBondContact O-CA 3.19Å; S190-L238 PolarHBondContact O-N 2.78Å
191	N	94	Very high	91.9	Very high	63 Å²	63	46.4 Å²	46.4	34%	0.337	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	165.1	167.9	-159.4	-11.4	0	0	0	110.7	V177 W220 L238	V177-N191 PolarHBondContact N-O 3.47Å; V177-N191 PolarHBondContact O-N 3.12Å; V177-N191 VanDerWaalsContact O-N 3.08Å; N191-W220 HydrophobicContact CB-CH2 4.07Å; N191-W220 HydrophobicContact CB-CZ3 3.75Å; N191-L238 HydrophobicContact CB-CB 3.95Å; N191-L238 PolarHBondContact ND2-O 3.31Å
192	K	92.1	Very high	92.1	Very high	141 Å²	141	45.5 Å²	45.5	61%	0.613	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	150.9	177.4	-67	-166.8	172.8	-160.2	0	113.4	L175 V176	L175-K192 CarbonylContact O-C 3.58Å; L175-K192 VanDerWaalsContact O-CA 3.31Å; L175-K192 WeakPolarHBondContact O-CA 3.38Å; V176-K192 HydrophobicContact CG2-CG 4.19Å
193	V	91.4	Very high	92.2	Very high	12 Å²	12	45.3 Å²	45.3	7%	0.073	26%	0.259	C	S	.	.			trans	-98.9	152.3	167.3	-156.7	0	0	0	0	108.6	L175 V177 C195 V197 W220	L175-V193 PolarHBondContact O-N 2.68Å; V177-V193 HydrophobicContact CG2-CG2 3.58Å; V193-C195 WeakPolarHBondContact CG1-O 3.33Å; V193-V197 HydrophobicContact CB-CG2 4.3Å; V193-V197 HydrophobicContact CG1-CG2 3.9Å; V193-V197 HydrophobicContact CG2-CG2 3.92Å; V193-W220 HydrophobicContact CG2-CZ2 4.26Å
194	A	88.5	Confident	92.1	Very high	98 Å²	98	42.7 Å²	42.7	81%	0.81	25%	0.249	S	C	*	.	S	Bend	trans	-88.5	-11.8	179.5	0	0	0	0	0	113.7
195	C	91.2	Very high	91.9	Very high	29 Å²	29	40.4 Å²	40.4	20%	0.196	25%	0.249	C	C	.	.	S	Bend	trans	-149.7	160.6	-172.1	-70.5	0	0	0	0	109.7	V193 V197 V214	V193-C195 WeakPolarHBondContact CG1-O 3.33Å; C195-V197 PolarHBondContact O-N 3.3Å; C195-V214 HydrophobicContact CB-CB 4.15Å; C195-V214 HydrophobicContact CB-CG1 4.43Å; C195-V214 VanDerWaalsContact CB-O 3.3Å; C195-V214 WeakPolarHBondContact CB-O 3.42Å
196	K	92.7	Very high	92	Very high	40 Å²	40	38.5 Å²	38.5	17%	0.174	23%	0.23	C	C	.	.			trans	-54.1	126.4	173.2	-169.5	-179.7	-170.8	166.5	0	110.4	E172 M198 V214 H216	E172-K196 HydrophobicContact CB-CB 4.22Å; E172-K196 HydrophobicContact CB-CD 4.07Å; E172-K196 HydrophobicContact CB-CG 3.94Å; E172-K196 VanDerWaalsContact OE2-CD 3.28Å; E172-K196 WeakPolarHBondContact OE2-CD 3.3Å; E172-K196 WeakPolarHBondContact OE2-CE 3.32Å; E172-K196 IonicContact OE2-NZ 2.77Å; E172-K196 PolarHBondContact OE2-NZ 3.21Å; K196-M198 HydrophobicContact CD-CE 3.63Å; K196-M198 HydrophobicContact CG-CE 3.64Å; K196-V214 HydrophobicContact CB-CG2 4.23Å; K196-V214 PolarHBondContact O-N 3.4Å; K196-V214 VanDerWaalsContact O-N 3.11Å; K196-H216 PolarHBondContact O-CE1 3.33Å
197	V	93.8	Very high	91.9	Very high	6 Å²	6	38.7 Å²	38.7	4%	0.036	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	139.9	170.8	179.3	0	0	0	0	108	V169 V193 C195 A199 T211 A212	V169-V197 HydrophobicContact CG1-CB 3.82Å; V169-V197 HydrophobicContact CG1-CG1 4.02Å; V169-V197 HydrophobicContact CG1-CG2 3.85Å; V193-V197 HydrophobicContact CB-CG2 4.3Å; V193-V197 HydrophobicContact CG1-CG2 3.9Å; V193-V197 HydrophobicContact CG2-CG2 3.92Å; C195-V197 PolarHBondContact O-N 3.3Å; V197-A199 VanDerWaalsContact CG1-O 3.32Å; V197-A199 WeakPolarHBondContact CG1-O 3.2Å; V197-T211 HydrophobicContact CG1-CG2 4.46Å; V197-A212 WeakPolarHBondContact CG1-O 3.3Å
198	M	91.9	Very high	91.9	Very high	34 Å²	34	38 Å²	38	17%	0.167	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-39.9	173.3	-59.3	-77.9	81.7	0	0	111.5	K196 A212 F253 R254	K196-M198 HydrophobicContact CD-CE 3.63Å; K196-M198 HydrophobicContact CG-CE 3.64Å; M198-A212 PolarHBondContact N-O 3.44Å; M198-F253 WeakPolarHBondContact CG-O 3.22Å; M198-R254 WeakPolarHBondContact CB-O 3.49Å
199	A	94.9	Very high	92.2	Very high	3 Å²	3	36.3 Å²	36.3	3%	0.025	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	163.4	-174.7	0	0	0	0	0	112	V197 A212 D255 V256	V197-A199 VanDerWaalsContact CG1-O 3.32Å; V197-A199 WeakPolarHBondContact CG1-O 3.2Å; A199-A212 PolarHBondContact N-O 2.84Å; A199-A212 PolarHBondContact O-N 2.79Å; A199-D255 HydrophobicContact CB-CB 4.47Å; A199-D255 WeakPolarHBondContact CB-OD1 3.48Å; A199-V256 HydrophobicContact CB-CG1 4.14Å
200	A	95.9	Very high	92.4	Very high	15 Å²	15	35.9 Å²	35.9	12%	0.124	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	156.9	172.1	0	0	0	0	0	111.2	L158 V210 T211	L158-A200 HydrophobicContact CD1-CB 3.74Å; A200-V210 CarbonylContact C-O 3.48Å; A200-V210 WeakPolarHBondContact CA-O 3.46Å; A200-V210 WeakPolarHBondContact CB-O 3.42Å; A200-T211 HydrophobicContact CB-CG2 4.08Å
201	S	96.2	Very high	92.6	Very high	20 Å²	20	34.5 Å²	34.5	14%	0.14	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	143.6	176.2	178	0	0	0	0	111.6	F209 V210 V256 C258	S201-F209 CarbonylContact O-C 3.54Å; S201-F209 VanDerWaalsContact O-CA 3.31Å; S201-F209 WeakPolarHBondContact O-CA 3.15Å; S201-F209 WeakPolarHBondContact O-CB 3.38Å; S201-V210 PolarHBondContact N-O 3.06Å; S201-V210 PolarHBondContact O-N 2.95Å; S201-V256 WeakPolarHBondContact CB-O 3.39Å; S201-C258 PolarHBondContact OG-N 3.4Å; S201-C258 VanDerWaalsContact OG-N 3.08Å
202	F	95.2	Very high	92.7	Very high	19 Å²	19	31.5 Å²	31.5	8%	0.083	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	143.7	175	-96.5	-80.3	0	0	0	111.7	L158 F159 S160 P161 I167 F209 L222 C258	L158-F202 HydrophobicContact CB-CD2 3.89Å; L158-F202 HydrophobicContact CB-CE2 3.88Å; L158-F202 HydrophobicContact CD1-CD2 4.07Å; F159-F202 VanDerWaalsContact C-CE2 3.48Å; F159-F202 WeakPolarHBondContact O-CD2 3.47Å; F159-F202 WeakPolarHBondContact O-CE2 3.41Å; S160-F202 VanDerWaalsContact CA-CE2 3.49Å; S160-F202 VanDerWaalsContact CB-CZ 3.48Å; P161-F202 HydrophobicContact CG-CB 4.16Å; I167-F202 HydrophobicContact CD1-CD2 4.4Å; I167-F202 HydrophobicContact CD1-CE1 3.97Å; I167-F202 HydrophobicContact CD1-CE2 3.47Å; I167-F202 VanDerWaalsContact CD1-CE2 3.47Å; I167-F202 HydrophobicContact CD1-CZ 3.22Å; I167-F202 HydrophobicContact CG1-CE2 3.85Å; I167-F202 HydrophobicContact CG1-CZ 3.69Å; F202-F209 HydrophobicContact CD1-CB 3.9Å; F202-F209 HydrophobicContact CE1-CB 4.2Å; F202-F209 HydrophobicContact CG-CB 4.12Å; F202-L222 HydrophobicContact CE1-CD1 4Å; F202-C258 VanDerWaalsContact O-CB 3.3Å; F202-C258 WeakPolarHBondContact O-CB 3.4Å
203	S	94.3	Very high	92.8	Very high	5 Å²	5	24.8 Å²	24.8	4%	0.035	16%	0.156	C	C	.	.			trans	-63	142.4	160.6	71.1	0	0	0	0	109.6	G205 G206 E207 Y208	S203-G205 VanDerWaalsContact C-N 3.33Å; S203-G205 PolarHBondContact O-N 3.09Å; S203-G206 WeakPolarHBondContact O-CA 3.28Å; S203-G206 PolarHBondContact O-N 3.4Å; S203-G206 PolarHBondContact OG-N 2.93Å; S203-E207 PolarHBondContact OG-N 3.28Å; S203-Y208 VanDerWaalsContact CB-CE1 3.41Å; S203-Y208 WeakPolarHBondContact CB-O 3.08Å; S203-Y208 PolarHBondContact N-O 3.27Å; S203-Y208 PolarHBondContact OG-N 3.34Å; S203-Y208 VanDerWaalsContact OG-N 3.16Å; S203-Y208 PolarHBondContact OG-O 3.42Å
204	E	89.5	Confident	92.9	Very high	67 Å²	67	25.2 Å²	25.2	31%	0.313	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-44.9	-177.6	-175.7	164.5	-113.8	0	0	114.3	P161 G206 R260 G261 A264	P161-E204 WeakPolarHBondContact CB-O 3.49Å; P161-E204 VanDerWaalsContact CG-O 3.32Å; P161-E204 WeakPolarHBondContact CG-O 3.27Å; E204-G206 PolarHBondContact O-N 3.43Å; E204-R260 WeakPolarHBondContact OE1-CA 3.46Å; E204-R260 VanDerWaalsContact OE1-CB 3.25Å; E204-R260 WeakPolarHBondContact OE1-CB 3.21Å; E204-R260 WeakPolarHBondContact OE1-CG 3.42Å; E204-R260 IonicContact OE1-NH1 3.28Å; E204-G261 PolarHBondContact OE1-N 3.07Å; E204-G261 PolarHBondContact OE2-N 2.89Å; E204-A264 HydrophobicContact CB-CB 4.42Å; E204-A264 WeakPolarHBondContact OE2-CB 3.35Å
205	G	84.9	Confident	93.1	Very high	55 Å²	55	27.2 Å²	27.2	57%	0.567	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-1.3	176.1	0	0	0	0	0	115.7	S203 E207	S203-G205 VanDerWaalsContact C-N 3.33Å; S203-G205 PolarHBondContact O-N 3.09Å; G205-E207 VanDerWaalsContact C-N 3.27Å; G205-E207 PolarHBondContact O-N 2.94Å
206	G	89	Confident	93.2	Very high	3 Å²	3	26.8 Å²	26.8	3%	0.031	14%	0.141	C	C	.	.	S	Bend	trans	70.8	7.1	-179.2	0	0	0	0	0	116.5	S203 E204	S203-G206 WeakPolarHBondContact O-CA 3.28Å; S203-G206 PolarHBondContact O-N 3.4Å; S203-G206 PolarHBondContact OG-N 2.93Å; E204-G206 PolarHBondContact O-N 3.43Å
207	E	87.3	Confident	93.4	Very high	79 Å²	79	25 Å²	25	37%	0.369	13%	0.133	S	C	.	.	S	Bend	trans	-70.9	-29.3	-178.4	-65.6	-66	108	0	0	113.3	S203 G205 L222 R224	S203-E207 PolarHBondContact OG-N 3.28Å; G205-E207 VanDerWaalsContact C-N 3.27Å; G205-E207 PolarHBondContact O-N 2.94Å; E207-L222 PolarHBondContact O-N 3.4Å; E207-R224 IonicContact OE1-CZ 2.86Å; E207-R224 IonicContact OE1-NE 2.68Å; E207-R224 PolarHBondContact OE1-NE 2.93Å; E207-R224 IonicContact OE1-NH2 3.15Å; E207-R224 PolarHBondContact OE1-NH2 3.08Å; E207-R224 IonicContact OE2-CZ 3.93Å; E207-R224 IonicContact OE2-NE 3.81Å; E207-R224 PolarHBondContact OE2-NE 2.97Å; E207-R224 IonicContact OE2-NH2 3.86Å
208	Y	92.5	Very high	93.4	Very high	36 Å²	36	26.3 Å²	26.3	14%	0.141	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	168.7	176.2	68.8	-89.8	0	0	0	111.6	S203 V210 F219 W220 Y221	S203-Y208 VanDerWaalsContact CB-CE1 3.41Å; S203-Y208 WeakPolarHBondContact CB-O 3.08Å; S203-Y208 PolarHBondContact N-O 3.27Å; S203-Y208 PolarHBondContact OG-N 3.34Å; S203-Y208 VanDerWaalsContact OG-N 3.16Å; S203-Y208 PolarHBondContact OG-O 3.42Å; Y208-V210 HydrophobicContact CD2-CG2 4.01Å; Y208-V210 HydrophobicContact CE2-CG2 3.87Å; Y208-F219 AromaticContact CD2-CD1 3.76Å; Y208-F219 HydrophobicContact CD2-CD1 3.76Å; Y208-F219 HydrophobicContact CD2-CE1 4.42Å; Y208-F219 AromaticContact CE2-CD1 3.55Å; Y208-F219 HydrophobicContact CE2-CD1 3.55Å; Y208-F219 AromaticContact CE2-CE1 3.76Å; Y208-F219 HydrophobicContact CE2-CE1 3.76Å; Y208-W220 CarbonylContact C-O 3.38Å; Y208-W220 WeakPolarHBondContact CA-O 3.17Å; Y208-W220 WeakPolarHBondContact CB-O 3.29Å; Y208-Y221 HydrophobicContact CG-CE1 4.37Å
209	F	95.4	Very high	93.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	163	166.7	69	-84.1	0	0	0	109.9	I167 V177 V179 S201 F202 T211 F219 W220 L222 L238	I167-F209 HydrophobicContact CD1-CB 4.09Å; I167-F209 HydrophobicContact CD1-CD1 3.29Å; I167-F209 HydrophobicContact CD1-CD2 3.68Å; I167-F209 HydrophobicContact CD1-CE1 3.4Å; I167-F209 VanDerWaalsContact CD1-CE1 3.4Å; I167-F209 HydrophobicContact CD1-CE2 3.78Å; I167-F209 HydrophobicContact CD1-CG 3.42Å; I167-F209 VanDerWaalsContact CD1-CG 3.42Å; I167-F209 HydrophobicContact CD1-CZ 3.63Å; I167-F209 HydrophobicContact CG2-CE2 4.26Å; I167-F209 HydrophobicContact CG2-CZ 4.43Å; V177-F209 HydrophobicContact CG1-CE2 3.89Å; V177-F209 HydrophobicContact CG1-CZ 3.71Å; V179-F209 HydrophobicContact CG2-CE1 4.28Å; V179-F209 HydrophobicContact CG2-CZ 4.43Å; S201-F209 CarbonylContact O-C 3.54Å; S201-F209 VanDerWaalsContact O-CA 3.31Å; S201-F209 WeakPolarHBondContact O-CA 3.15Å; S201-F209 WeakPolarHBondContact O-CB 3.38Å; F202-F209 HydrophobicContact CD1-CB 3.9Å; F202-F209 HydrophobicContact CE1-CB 4.2Å; F202-F209 HydrophobicContact CG-CB 4.12Å; F209-T211 HydrophobicContact CD2-CG2 4.24Å; F209-T211 HydrophobicContact CE2-CG2 3.94Å; F209-F219 CarbonylContact O-C 3.59Å; F209-F219 WeakPolarHBondContact O-CA 3.44Å; F209-W220 HydrophobicContact CD1-CB 3.79Å; F209-W220 HydrophobicContact CD2-CB 4.19Å; F209-W220 AromaticContact CD2-CD1 3.88Å; F209-W220 HydrophobicContact CD2-CG 4.33Å; F209-W220 HydrophobicContact CE1-CB 3.4Å; F209-W220 VanDerWaalsContact CE1-CB 3.4Å; F209-W220 HydrophobicContact CE1-CG 4.17Å; F209-W220 HydrophobicContact CE2-CB 3.84Å; F209-W220 AromaticContact CE2-CD1 3.47Å; F209-W220 VanDerWaalsContact CE2-CD1 3.47Å; F209-W220 AromaticContact CE2-CG 3.76Å; F209-W220 HydrophobicContact CE2-CG 3.76Å; F209-W220 HydrophobicContact CG-CB 4.18Å; F209-W220 HydrophobicContact CZ-CB 3.45Å; F209-W220 VanDerWaalsContact CZ-CB 3.45Å; F209-W220 AromaticContact CZ-CD1 3.9Å; F209-W220 HydrophobicContact CZ-CD2 4.41Å; F209-W220 AromaticContact CZ-CG 3.68Å; F209-W220 HydrophobicContact CZ-CG 3.68Å; F209-W220 PolarHBondContact N-O 3.08Å; F209-W220 PolarHBondContact O-N 3.06Å; F209-L222 HydrophobicContact CE1-CD2 4.33Å; F209-L238 HydrophobicContact CE1-CD1 4.45Å; F209-L238 HydrophobicContact CE1-CD2 3.92Å; F209-L238 HydrophobicContact CZ-CD2 3.6Å
210	V	96.8	Very high	93.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	137.9	-177.6	-170.8	0	0	0	0	108.9	A200 S201 Y208 V217 K218 F219 V256 T267	A200-V210 CarbonylContact C-O 3.48Å; A200-V210 WeakPolarHBondContact CA-O 3.46Å; A200-V210 WeakPolarHBondContact CB-O 3.42Å; S201-V210 PolarHBondContact N-O 3.06Å; S201-V210 PolarHBondContact O-N 2.95Å; Y208-V210 HydrophobicContact CD2-CG2 4.01Å; Y208-V210 HydrophobicContact CE2-CG2 3.87Å; V210-V217 HydrophobicContact CG1-CG1 3.51Å; V210-K218 CarbonylContact C-O 3.53Å; V210-K218 VanDerWaalsContact CA-O 3.31Å; V210-K218 WeakPolarHBondContact CA-O 3.32Å; V210-F219 HydrophobicContact CG1-CD2 4.46Å; V210-F219 HydrophobicContact CG1-CE2 4.43Å; V210-F219 HydrophobicContact CG2-CD1 3.54Å; V210-F219 HydrophobicContact CG2-CE1 3.63Å; V210-F219 HydrophobicContact CG2-CG 4.03Å; V210-F219 HydrophobicContact CG2-CZ 4.18Å; V210-V256 HydrophobicContact CB-CG2 4.26Å; V210-V256 HydrophobicContact CG1-CG2 3.9Å; V210-T267 HydrophobicContact CB-CG2 4.41Å; V210-T267 HydrophobicContact CG1-CG2 4.36Å; V210-T267 HydrophobicContact CG2-CG2 4.09Å
211	T	96.8	Very high	93.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.6	168.5	59	0	0	0	0	109.3	V177 V197 A200 F209 V217 K218 W220	V177-T211 HydrophobicContact CG2-CG2 4.46Å; V197-T211 HydrophobicContact CG1-CG2 4.46Å; A200-T211 HydrophobicContact CB-CG2 4.08Å; F209-T211 HydrophobicContact CD2-CG2 4.24Å; F209-T211 HydrophobicContact CE2-CG2 3.94Å; T211-V217 WeakPolarHBondContact O-CA 3.28Å; T211-K218 PolarHBondContact N-O 3.24Å; T211-K218 PolarHBondContact O-N 3.35Å; T211-W220 PolarHBondContact OG1-NE1 3.02Å
212	A	95.6	Very high	92.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	152.5	176.2	0	0	0	0	0	111.3	V197 M198 A199 H216 V217 F253 V256	V197-A212 WeakPolarHBondContact CG1-O 3.3Å; M198-A212 PolarHBondContact N-O 3.44Å; A199-A212 PolarHBondContact N-O 2.84Å; A199-A212 PolarHBondContact O-N 2.79Å; A212-H216 WeakPolarHBondContact CA-O 3.26Å; A212-V217 HydrophobicContact CB-CG2 4.17Å; A212-F253 HydrophobicContact CB-CB 3.95Å; A212-V256 HydrophobicContact CB-CB 3.62Å; A212-V256 HydrophobicContact CB-CG1 3.53Å; A212-V256 HydrophobicContact CB-CG2 4.37Å
213	G	94.1	Very high	91.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.9	-150	179.5	0	0	0	0	0	112.9	R215 H216 F253	G213-R215 PolarHBondContact O-N 3.31Å; G213-H216 PolarHBondContact N-O 3.42Å; G213-H216 PolarHBondContact O-N 3.21Å; G213-F253 CarbonylContact C-O 3.51Å; G213-F253 WeakPolarHBondContact CA-O 3.44Å; G213-F253 PolarHBondContact N-O 3Å; G213-F253 PolarHBondContact O-N 3.38Å
214	V	93.8	Very high	89.9	Confident	20 Å²	20	40.8 Å²	40.8	12%	0.121	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-57.2	113.2	-179.8	171.7	0	0	0	0	109.9	C195 K196 H216 N252	C195-V214 HydrophobicContact CB-CB 4.15Å; C195-V214 HydrophobicContact CB-CG1 4.43Å; C195-V214 VanDerWaalsContact CB-O 3.3Å; C195-V214 WeakPolarHBondContact CB-O 3.42Å; K196-V214 HydrophobicContact CB-CG2 4.23Å; K196-V214 PolarHBondContact O-N 3.4Å; K196-V214 VanDerWaalsContact O-N 3.11Å; V214-H216 PolarHBondContact O-N 3.41Å; V214-H216 VanDerWaalsContact O-N 3.11Å; V214-H216 PolarHBondContact O-ND1 2.87Å; V214-N252 WeakPolarHBondContact CA-OD1 3.42Å
215	R	92.8	Very high	87.9	Confident	140 Å²	140	41 Å²	41	53%	0.528	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	27.4	177.6	-59	178.7	-64	154.2	5.5	116	G213 N250 N251	G213-R215 PolarHBondContact O-N 3.31Å; R215-N250 WeakPolarHBondContact CG-O 3.38Å; R215-N251 VanDerWaalsContact CA-O 3.22Å; R215-N251 WeakPolarHBondContact CA-O 3.28Å; R215-N251 PolarHBondContact N-O 3.25Å
216	H	93.8	Very high	85.9	Confident	21 Å²	21	50.5 Å²	50.5	10%	0.097	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	148.3	176.7	75.2	-77.3	0	0	0	115.1	K196 A212 G213 V214	K196-H216 PolarHBondContact O-CE1 3.33Å; A212-H216 WeakPolarHBondContact CA-O 3.26Å; G213-H216 PolarHBondContact N-O 3.42Å; G213-H216 PolarHBondContact O-N 3.21Å; V214-H216 PolarHBondContact O-N 3.41Å; V214-H216 VanDerWaalsContact O-N 3.11Å; V214-H216 PolarHBondContact O-ND1 2.87Å
217	V	96.1	Very high	83.5	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	129	155.8	-179.6	0	0	0	0	106	V210 T211 A212 F219 A243 L245 F253 F279	V210-V217 HydrophobicContact CG1-CG1 3.51Å; T211-V217 WeakPolarHBondContact O-CA 3.28Å; A212-V217 HydrophobicContact CB-CG2 4.17Å; V217-F219 HydrophobicContact CG1-CE2 4.3Å; V217-A243 HydrophobicContact CB-CB 3.92Å; V217-A243 HydrophobicContact CG1-CB 4.23Å; V217-A243 WeakPolarHBondContact O-CB 3.38Å; V217-A243 PolarHBondContact O-N 2.8Å; V217-L245 HydrophobicContact CB-CD2 4.26Å; V217-L245 HydrophobicContact CG2-CD2 4.2Å; V217-F253 HydrophobicContact CG2-CB 4.27Å; V217-F253 HydrophobicContact CG2-CD1 3.64Å; V217-F253 HydrophobicContact CG2-CD2 3.9Å; V217-F253 HydrophobicContact CG2-CE1 3.92Å; V217-F253 HydrophobicContact CG2-CE2 4.18Å; V217-F253 HydrophobicContact CG2-CG 3.64Å; V217-F253 HydrophobicContact CG2-CZ 4.19Å; V217-F279 HydrophobicContact CG2-CE2 4.29Å; V217-F279 HydrophobicContact CG2-CZ 4.28Å
218	K	95.5	Very high	81.2	Confident	34 Å²	34	55 Å²	55	15%	0.148	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	126.7	-171.9	-175.4	176.8	175.1	-173.1	0	111.8	V210 T211 W220	V210-K218 CarbonylContact C-O 3.53Å; V210-K218 VanDerWaalsContact CA-O 3.31Å; V210-K218 WeakPolarHBondContact CA-O 3.32Å; T211-K218 PolarHBondContact N-O 3.24Å; T211-K218 PolarHBondContact O-N 3.35Å; K218-W220 HydrophobicContact CD-CD2 4.36Å; K218-W220 HydrophobicContact CD-CH2 4.14Å; K218-W220 HydrophobicContact CD-CZ2 3.6Å; K218-W220 HydrophobicContact CG-CD2 4.44Å; K218-W220 HydrophobicContact CG-CZ2 4.41Å; K218-W220 VanDerWaalsContact NZ-CZ2 3.33Å; K218-W220 VanDerWaalsContact NZ-CZ3 3.35Å
219	F	95.7	Very high	79.1	Confident	3 Å²	3	57.4 Å²	57.4	1%	0.013	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	129.9	179.6	-66.9	-109.4	0	0	0	109.4	Y208 F209 V210 V217 Y221 G240 R241 A243 T267 F279 R283	Y208-F219 AromaticContact CD2-CD1 3.76Å; Y208-F219 HydrophobicContact CD2-CD1 3.76Å; Y208-F219 HydrophobicContact CD2-CE1 4.42Å; Y208-F219 AromaticContact CE2-CD1 3.55Å; Y208-F219 HydrophobicContact CE2-CD1 3.55Å; Y208-F219 AromaticContact CE2-CE1 3.76Å; Y208-F219 HydrophobicContact CE2-CE1 3.76Å; F209-F219 CarbonylContact O-C 3.59Å; F209-F219 WeakPolarHBondContact O-CA 3.44Å; V210-F219 HydrophobicContact CG1-CD2 4.46Å; V210-F219 HydrophobicContact CG1-CE2 4.43Å; V210-F219 HydrophobicContact CG2-CD1 3.54Å; V210-F219 HydrophobicContact CG2-CE1 3.63Å; V210-F219 HydrophobicContact CG2-CG 4.03Å; V210-F219 HydrophobicContact CG2-CZ 4.18Å; V217-F219 HydrophobicContact CG1-CE2 4.3Å; F219-Y221 HydrophobicContact CB-CE2 4.2Å; F219-G240 CarbonylContact O-C 3.55Å; F219-G240 WeakPolarHBondContact O-CA 3.41Å; F219-R241 PolarHBondContact N-O 2.91Å; F219-R241 PolarHBondContact O-N 3.04Å; F219-A243 HydrophobicContact CE2-CB 4.07Å; F219-T267 WeakPolarHBondContact CE1-OG1 3.36Å; F219-F279 HydrophobicContact CZ-CB 4.4Å; F219-R283 HydrophobicContact CB-CG 4.36Å; F219-R283 HydrophobicContact CD1-CG 3.96Å; F219-R283 HydrophobicContact CD2-CB 3.92Å; F219-R283 VanDerWaalsContact CD2-CD 3.48Å; F219-R283 HydrophobicContact CD2-CG 3.53Å; F219-R283 HydrophobicContact CE1-CG 4.11Å; F219-R283 HydrophobicContact CE2-CB 3.73Å; F219-R283 HydrophobicContact CE2-CG 3.71Å; F219-R283 HydrophobicContact CG-CG 3.69Å; F219-R283 HydrophobicContact CZ-CB 4.2Å; F219-R283 HydrophobicContact CZ-CG 4Å
220	W	95.1	Very high	76.8	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	129.6	-176.5	-59.7	96	0	0	0	110.2	V177 N191 V193 Y208 F209 T211 K218 L238 Q239	V177-W220 HydrophobicContact CG2-CZ2 4.1Å; N191-W220 HydrophobicContact CB-CH2 4.07Å; N191-W220 HydrophobicContact CB-CZ3 3.75Å; V193-W220 HydrophobicContact CG2-CZ2 4.26Å; Y208-W220 CarbonylContact C-O 3.38Å; Y208-W220 WeakPolarHBondContact CA-O 3.17Å; Y208-W220 WeakPolarHBondContact CB-O 3.29Å; F209-W220 HydrophobicContact CD1-CB 3.79Å; F209-W220 HydrophobicContact CD2-CB 4.19Å; F209-W220 AromaticContact CD2-CD1 3.88Å; F209-W220 HydrophobicContact CD2-CG 4.33Å; F209-W220 HydrophobicContact CE1-CB 3.4Å; F209-W220 VanDerWaalsContact CE1-CB 3.4Å; F209-W220 HydrophobicContact CE1-CG 4.17Å; F209-W220 HydrophobicContact CE2-CB 3.84Å; F209-W220 AromaticContact CE2-CD1 3.47Å; F209-W220 VanDerWaalsContact CE2-CD1 3.47Å; F209-W220 AromaticContact CE2-CG 3.76Å; F209-W220 HydrophobicContact CE2-CG 3.76Å; F209-W220 HydrophobicContact CG-CB 4.18Å; F209-W220 HydrophobicContact CZ-CB 3.45Å; F209-W220 VanDerWaalsContact CZ-CB 3.45Å; F209-W220 AromaticContact CZ-CD1 3.9Å; F209-W220 HydrophobicContact CZ-CD2 4.41Å; F209-W220 AromaticContact CZ-CG 3.68Å; F209-W220 HydrophobicContact CZ-CG 3.68Å; F209-W220 PolarHBondContact N-O 3.08Å; F209-W220 PolarHBondContact O-N 3.06Å; T211-W220 PolarHBondContact OG1-NE1 3.02Å; K218-W220 HydrophobicContact CD-CD2 4.36Å; K218-W220 HydrophobicContact CD-CH2 4.14Å; K218-W220 HydrophobicContact CD-CZ2 3.6Å; K218-W220 HydrophobicContact CG-CD2 4.44Å; K218-W220 HydrophobicContact CG-CZ2 4.41Å; K218-W220 VanDerWaalsContact NZ-CZ2 3.33Å; K218-W220 VanDerWaalsContact NZ-CZ3 3.35Å; W220-L238 HydrophobicContact CB-CD2 4.15Å; W220-L238 HydrophobicContact CD2-CD2 3.97Å; W220-L238 HydrophobicContact CE3-CD2 3.58Å; W220-L238 HydrophobicContact CE3-CG 3.8Å; W220-L238 HydrophobicContact CG-CD2 4.28Å; W220-L238 HydrophobicContact CZ3-CD2 4.09Å; W220-L238 HydrophobicContact CZ3-CG 4.32Å; W220-Q239 WeakPolarHBondContact CA-O 3.45Å
221	Y	92.1	Very high	74.6	Confident	54 Å²	54	71.7 Å²	71.7	21%	0.212	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	132.5	-168.5	-65.9	-79	0	0	0	111.5	Y208 F219 Q239 R241 R283	Y208-Y221 HydrophobicContact CG-CE1 4.37Å; F219-Y221 HydrophobicContact CB-CE2 4.2Å; Y221-Q239 PolarHBondContact N-O 3.41Å; Y221-R241 HydrophobicContact CE2-CB 4.25Å; Y221-R241 HydrophobicContact CE2-CG 4.07Å; Y221-R283 PolarHBondContact OH-NH1 3.25Å
222	L	83.6	Confident	72.4	Confident	22 Å²	22	78.7 Å²	78.7	12%	0.115	39%	0.386	C	S	.	.			trans	-100.7	100.5	177.4	-61.5	179.4	0	0	0	109.3	Y165 V179 F202 E207 F209 R224 L238	Y165-L222 HydrophobicContact CD2-CD1 3.87Å; Y165-L222 HydrophobicContact CE2-CD1 4.37Å; V179-L222 HydrophobicContact CG1-CD2 4.06Å; V179-L222 HydrophobicContact CG2-CD2 4.25Å; F202-L222 HydrophobicContact CE1-CD1 4Å; E207-L222 PolarHBondContact O-N 3.4Å; F209-L222 HydrophobicContact CE1-CD2 4.33Å; L222-R224 PolarHBondContact O-N 2.91Å; L222-L238 HydrophobicContact CD2-CD1 3.8Å
223	E	69.8	Low	70.4	Confident	136 Å²	136	87.5 Å²	87.5	64%	0.636	43%	0.427	S	S	*	.			trans	-63.6	125.5	178.4	-70.9	-172.7	171	0	0	111.1	S225 Q239	E223-S225 PolarHBondContact O-N 3.44Å; E223-Q239 PolarHBondContact OE1-NE2 2.93Å
224	R	56.9	Low	68.8	Low	185 Å²	185	93.1 Å²	93.1	70%	0.698	46%	0.457	S	S	*	.			trans	-66.5	77.2	171	-67.6	-176.6	176.5	-152.3	-2.7	110.3	E207 L222 R226	E207-R224 IonicContact OE1-CZ 2.86Å; E207-R224 IonicContact OE1-NE 2.68Å; E207-R224 PolarHBondContact OE1-NE 2.93Å; E207-R224 IonicContact OE1-NH2 3.15Å; E207-R224 PolarHBondContact OE1-NH2 3.08Å; E207-R224 IonicContact OE2-CZ 3.93Å; E207-R224 IonicContact OE2-NE 3.81Å; E207-R224 PolarHBondContact OE2-NE 2.97Å; E207-R224 IonicContact OE2-NH2 3.86Å; L222-R224 PolarHBondContact O-N 2.91Å; R224-R226 PolarHBondContact O-N 3.28Å
225	S	48.7	Very low	67.5	Low	71 Å²	71	92.9 Å²	92.9	50%	0.497	46%	0.459	S	S	.	.			trans	-57.1	108.2	-172.2	-176	0	0	0	0	112.8	E223 A227	E223-S225 PolarHBondContact O-N 3.44Å; S225-A227 VanDerWaalsContact C-N 3.3Å; S225-A227 PolarHBondContact O-N 2.9Å; S225-A227 PolarHBondContact OG-O 2.8Å
226	R	41.6	Very low	67	Low	256 Å²	256	89.9 Å²	89.9	97%	0.966	46%	0.456	S	S	*	.			trans	-92	35	173.6	-79.4	-176.8	164.9	176.4	-4.6	112.5	R224	R224-R226 PolarHBondContact O-N 3.28Å
227	A	40.4	Very low	66.7	Low	68 Å²	68	93.8 Å²	93.8	56%	0.562	48%	0.483	S	S	*	.	S	Bend	trans	-154.5	150.3	170.8	0	0	0	0	0	112.4	S225 V229	S225-A227 VanDerWaalsContact C-N 3.3Å; S225-A227 PolarHBondContact O-N 2.9Å; S225-A227 PolarHBondContact OG-O 2.8Å; A227-V229 PolarHBondContact O-N 2.85Å
228	A	37.8	Very low	66.4	Low	107 Å²	107	94.1 Å²	94.1	88%	0.884	49%	0.485	S	S	*	.			trans	-73.5	76.6	171.5	0	0	0	0	0	111	K230	A228-K230 PolarHBondContact O-N 2.9Å
229	V	48	Very low	66.1	Low	87 Å²	87	96.9 Å²	96.9	53%	0.527	50%	0.498	S	S	.	.			trans	-61.4	125.4	165.7	-179.4	0	0	0	0	107.7	A227 L231	A227-V229 PolarHBondContact O-N 2.85Å; V229-L231 PolarHBondContact O-N 2.93Å
230	K	47.3	Very low	65.9	Low	193 Å²	193	98.2 Å²	98.2	84%	0.839	51%	0.512	S	S	*	.			trans	-62.2	106.4	168.8	-71.2	-179.8	178.5	177.7	0	107.8	A228 Q232	A228-K230 PolarHBondContact O-N 2.9Å; K230-Q232 PolarHBondContact O-N 3.28Å
231	L	50.9	Low	65.8	Low	108 Å²	108	104.1 Å²	104.1	57%	0.565	54%	0.535	S	S	*	.			trans	-54.8	110.7	174.9	-81	139.5	0	0	0	109.1	L186 V229	L186-L231 HydrophobicContact CD1-CD1 4.22Å; V229-L231 PolarHBondContact O-N 2.93Å
232	Q	50.9	Low	65.9	Low	146 Å²	146	105.3 Å²	105.3	68%	0.682	55%	0.551	S	S	*	*			trans	-81.7	145.1	163.6	-60.7	-177.2	7.9	0	0	107.4	K230 N234 G235	K230-Q232 PolarHBondContact O-N 3.28Å; Q232-N234 PolarHBondContact O-N 3.48Å; Q232-G235 PolarHBondContact O-N 2.82Å
233	E	54.3	Low	66.4	Low	186 Å²	186	104.9 Å²	104.9	87%	0.869	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	-19.4	-176.6	-61.2	168.9	147.1	0	0	113.5	K187	K187-E233 WeakPolarHBondContact CE-O 3.34Å
234	N	58.9	Low	67.4	Low	118 Å²	118	102 Å²	102	63%	0.631	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-11.7	176.7	-68.7	-38.3	0	0	0	114.7	K187 Q232	K187-N234 WeakPolarHBondContact CE-O 3.16Å; Q232-N234 PolarHBondContact O-N 3.48Å
235	G	67.5	Low	68.9	Low	15 Å²	15	93.9 Å²	93.9	16%	0.155	51%	0.509	C	S	.	.			trans	74.4	178.3	-173.5	0	0	0	0	0	113.8	K187 V188 Q232	K187-G235 WeakPolarHBondContact O-CA 3.3Å; V188-G235 WeakPolarHBondContact O-CA 3.39Å; Q232-G235 PolarHBondContact O-N 2.82Å
236	V	82.9	Confident	70.5	Confident	77 Å²	77	92.5 Å²	92.5	47%	0.467	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	144	176	-177.6	0	0	0	0	110.4	V188 A189 S190 L238	V188-V236 PolarHBondContact O-N 3.22Å; A189-V236 CarbonylContact C-O 3.56Å; A189-V236 WeakPolarHBondContact CA-O 3.42Å; A189-V236 VanDerWaalsContact CB-O 3.26Å; A189-V236 WeakPolarHBondContact CB-O 3.46Å; S190-V236 PolarHBondContact N-O 3.09Å; V236-L238 PolarHBondContact O-N 3.32Å; V236-L238 VanDerWaalsContact O-N 3.13Å
237	P	86.1	Confident	72.4	Confident	103 Å²	103	85.6 Å²	85.6	67%	0.669	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.9	115.3	173.6	-25.4	35.6	0	0	0	112.3	S190 Q239	S190-P237 WeakPolarHBondContact O-CA 3.19Å; P237-Q239 PolarHBondContact O-N 3.09Å
238	L	90	Very high	74.5	Confident	8 Å²	8	83.9 Å²	83.9	4%	0.042	46%	0.464	C	S	.	.			trans	-70.8	124.4	-178.7	179.5	71.1	0	0	0	111.1	V177 V179 A189 S190 N191 F209 W220 L222 V236	V177-L238 HydrophobicContact CG1-CD2 4.22Å; V179-L238 HydrophobicContact CG2-CD1 4.18Å; V179-L238 HydrophobicContact CG2-CD2 3.98Å; A189-L238 HydrophobicContact CB-CB 4.14Å; A189-L238 HydrophobicContact CB-CD1 4.3Å; S190-L238 PolarHBondContact O-N 2.78Å; N191-L238 HydrophobicContact CB-CB 3.95Å; N191-L238 PolarHBondContact ND2-O 3.31Å; F209-L238 HydrophobicContact CE1-CD1 4.45Å; F209-L238 HydrophobicContact CE1-CD2 3.92Å; F209-L238 HydrophobicContact CZ-CD2 3.6Å; W220-L238 HydrophobicContact CB-CD2 4.15Å; W220-L238 HydrophobicContact CD2-CD2 3.97Å; W220-L238 HydrophobicContact CE3-CD2 3.58Å; W220-L238 HydrophobicContact CE3-CG 3.8Å; W220-L238 HydrophobicContact CG-CD2 4.28Å; W220-L238 HydrophobicContact CZ3-CD2 4.09Å; W220-L238 HydrophobicContact CZ3-CG 4.32Å; L222-L238 HydrophobicContact CD2-CD1 3.8Å; V236-L238 PolarHBondContact O-N 3.32Å; V236-L238 VanDerWaalsContact O-N 3.13Å
239	Q	89.7	Confident	76.7	Confident	92 Å²	92	86.5 Å²	86.5	43%	0.43	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	137.8	178.1	-67	-177.1	45.4	0	0	111.9	W220 Y221 E223 P237	W220-Q239 WeakPolarHBondContact CA-O 3.45Å; Y221-Q239 PolarHBondContact N-O 3.41Å; E223-Q239 PolarHBondContact OE1-NE2 2.93Å; P237-Q239 PolarHBondContact O-N 3.09Å
240	G	90.7	Very high	78.6	Confident	30 Å²	30	87.6 Å²	87.6	31%	0.309	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	151.5	173.9	0	0	0	0	0	113.9	F219	F219-G240 CarbonylContact O-C 3.55Å; F219-G240 WeakPolarHBondContact O-CA 3.41Å
241	R	94.5	Very high	80.6	Confident	125 Å²	125	79.3 Å²	79.3	47%	0.472	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	127.7	-175.5	-59.3	179.2	178.5	114	-2.4	109.5	F219 Y221	F219-R241 PolarHBondContact N-O 2.91Å; F219-R241 PolarHBondContact O-N 3.04Å; Y221-R241 HydrophobicContact CE2-CB 4.25Å; Y221-R241 HydrophobicContact CE2-CG 4.07Å
242	S	93.5	Very high	82.6	Confident	79 Å²	79	75.7 Å²	75.7	55%	0.552	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	154.5	177.4	-50.9	0	0	0	0	112.3
243	A	93.9	Very high	84.7	Confident	12 Å²	12	68.8 Å²	68.8	10%	0.099	37%	0.368	C	S	.	.			trans	-69.3	155.1	167.7	0	0	0	0	0	111.8	V217 F219 L245 F279 R283	V217-A243 HydrophobicContact CB-CB 3.92Å; V217-A243 HydrophobicContact CG1-CB 4.23Å; V217-A243 WeakPolarHBondContact O-CB 3.38Å; V217-A243 PolarHBondContact O-N 2.8Å; F219-A243 HydrophobicContact CE2-CB 4.07Å; A243-L245 HydrophobicContact CB-CD2 3.83Å; A243-L245 HydrophobicContact CB-CG 4.43Å; A243-L245 PolarHBondContact O-N 3.03Å; A243-F279 HydrophobicContact CB-CD1 4.04Å; A243-F279 HydrophobicContact CB-CE1 3.81Å; A243-F279 HydrophobicContact CB-CZ 4.47Å; A243-R283 WeakPolarHBondContact CA-O 3.43Å
244	I	91.7	Very high	86.6	Confident	75 Å²	75	62 Å²	62	39%	0.385	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-93	81.9	174.4	-58.1	175	0	0	0	107.6	A246 R283 Q284 L285	I244-A246 VanDerWaalsContact C-N 3.26Å; I244-A246 PolarHBondContact O-N 2.9Å; I244-R283 PolarHBondContact N-O 2.78Å; I244-Q284 HydrophobicContact CB-CG 4.2Å; I244-Q284 HydrophobicContact CD1-CG 3.88Å; I244-Q284 HydrophobicContact CG1-CG 4.48Å; I244-L285 PolarHBondContact O-N 2.85Å
245	L	87.8	Confident	88.3	Confident	16 Å²	16	56.8 Å²	56.8	8%	0.084	31%	0.306	C	S	.	.			trans	-68.8	-16.4	-174.3	-57.9	-179.3	0	0	0	114.6	V217 A243 D247 Q248 R249 F253 F279	V217-L245 HydrophobicContact CB-CD2 4.26Å; V217-L245 HydrophobicContact CG2-CD2 4.2Å; A243-L245 HydrophobicContact CB-CD2 3.83Å; A243-L245 HydrophobicContact CB-CG 4.43Å; A243-L245 PolarHBondContact O-N 3.03Å; L245-D247 PolarHBondContact O-N 3Å; L245-Q248 WeakPolarHBondContact O-CB 3.25Å; L245-Q248 PolarHBondContact O-N 3.37Å; L245-Q248 VanDerWaalsContact O-N 3.13Å; L245-R249 HydrophobicContact CB-CB 4.35Å; L245-F253 HydrophobicContact CD1-CE2 3.92Å; L245-F253 HydrophobicContact CD1-CZ 4.29Å; L245-F253 HydrophobicContact CD2-CE2 4.14Å; L245-F253 HydrophobicContact CD2-CZ 3.78Å; L245-F279 HydrophobicContact CD2-CE1 3.71Å; L245-F279 HydrophobicContact CD2-CZ 3.6Å
246	A	82.8	Confident	89.7	Confident	41 Å²	41	56 Å²	56	34%	0.339	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	50.4	-121.7	-170.9	0	0	0	0	0	111.4	I244 Q248 R249	I244-A246 VanDerWaalsContact C-N 3.26Å; I244-A246 PolarHBondContact O-N 2.9Å; A246-Q248 VanDerWaalsContact C-N 3.31Å; A246-Q248 PolarHBondContact O-N 2.72Å; A246-R249 WeakPolarHBondContact O-CB 3.43Å; A246-R249 PolarHBondContact O-N 2.84Å
247	D	81	Confident	90.4	Very high	112 Å²	112	53.5 Å²	53.5	60%	0.599	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-72	-25.6	-176.3	-50.9	-55	0	0	0	112.4	L245 R249	L245-D247 PolarHBondContact O-N 3Å; D247-R249 PolarHBondContact O-N 3.34Å
248	Q	84	Confident	90.9	Very high	32 Å²	32	49 Å²	49	15%	0.15	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-72.7	9.2	178.2	-48.5	-56.4	-23.8	0	0	113.8	L245 A246 N250 N251 F253 L285	L245-Q248 WeakPolarHBondContact O-CB 3.25Å; L245-Q248 PolarHBondContact O-N 3.37Å; L245-Q248 VanDerWaalsContact O-N 3.13Å; A246-Q248 VanDerWaalsContact C-N 3.31Å; A246-Q248 PolarHBondContact O-N 2.72Å; Q248-N250 PolarHBondContact O-N 3.4Å; Q248-N250 VanDerWaalsContact O-N 3.15Å; Q248-N251 PolarHBondContact O-N 2.75Å; Q248-N251 PolarHBondContact OE1-ND2 3.1Å; Q248-F253 HydrophobicContact CB-CZ 4.45Å; Q248-L285 HydrophobicContact CB-CD2 4.35Å; Q248-L285 HydrophobicContact CG-CD2 3.62Å
249	R	84.8	Confident	91	Very high	162 Å²	162	48.8 Å²	48.8	61%	0.611	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-60.4	-20	-178	66.6	-177	-176.9	-153.8	-5.1	115.5	L245 A246 D247	L245-R249 HydrophobicContact CB-CB 4.35Å; A246-R249 WeakPolarHBondContact O-CB 3.43Å; A246-R249 PolarHBondContact O-N 2.84Å; D247-R249 PolarHBondContact O-N 3.34Å
250	N	87.1	Confident	91	Very high	109 Å²	109	50 Å²	50	58%	0.583	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-99	-5.7	-177.7	-77	-5.4	0	0	0	113.3	R215 Q248	R215-N250 WeakPolarHBondContact CG-O 3.38Å; Q248-N250 PolarHBondContact O-N 3.4Å; Q248-N250 VanDerWaalsContact O-N 3.15Å
251	N	89.7	Confident	90.9	Very high	19 Å²	19	50.9 Å²	50.9	10%	0.102	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-80	149.6	-175.2	-63	5.6	0	0	0	111.8	R215 Q248 F253 T271	R215-N251 VanDerWaalsContact CA-O 3.22Å; R215-N251 WeakPolarHBondContact CA-O 3.28Å; R215-N251 PolarHBondContact N-O 3.25Å; Q248-N251 PolarHBondContact O-N 2.75Å; Q248-N251 PolarHBondContact OE1-ND2 3.1Å; N251-F253 HydrophobicContact CB-CE2 4.34Å; N251-F253 WeakPolarHBondContact O-CD2 3.33Å; N251-T271 HydrophobicContact CB-CG2 4.01Å
252	N	93.3	Very high	90.6	Very high	32 Å²	32	50.8 Å²	50.8	17%	0.171	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-81.2	126.8	163.3	-74.1	-9.8	0	0	0	109.2	V214 T271 Q272 D507	V214-N252 WeakPolarHBondContact CA-OD1 3.42Å; N252-T271 CarbonylContact O-C 3.54Å; N252-T271 VanDerWaalsContact O-CA 3.26Å; N252-T271 WeakPolarHBondContact O-CA 3.23Å; N252-Q272 HydrophobicContact CB-CB 4.14Å; N252-Q272 PolarHBondContact ND2-OE1 2.91Å; N252-Q272 VanDerWaalsContact ND2-OE1 3.11Å; N252-Q272 PolarHBondContact O-N 3.17Å; N252-D507 PolarHBondContact ND2-OD2 3.35Å
253	F	94.8	Very high	90.5	Very high	1 Å²	1	47.6 Å²	47.6	0%	0.004	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	122.1	172.7	-64.8	-94.9	0	0	0	108.3	M198 A212 G213 V217 L245 Q248 N251 A269 I270 T271 F279	M198-F253 WeakPolarHBondContact CG-O 3.22Å; A212-F253 HydrophobicContact CB-CB 3.95Å; G213-F253 CarbonylContact C-O 3.51Å; G213-F253 WeakPolarHBondContact CA-O 3.44Å; G213-F253 PolarHBondContact N-O 3Å; G213-F253 PolarHBondContact O-N 3.38Å; V217-F253 HydrophobicContact CG2-CB 4.27Å; V217-F253 HydrophobicContact CG2-CD1 3.64Å; V217-F253 HydrophobicContact CG2-CD2 3.9Å; V217-F253 HydrophobicContact CG2-CE1 3.92Å; V217-F253 HydrophobicContact CG2-CE2 4.18Å; V217-F253 HydrophobicContact CG2-CG 3.64Å; V217-F253 HydrophobicContact CG2-CZ 4.19Å; L245-F253 HydrophobicContact CD1-CE2 3.92Å; L245-F253 HydrophobicContact CD1-CZ 4.29Å; L245-F253 HydrophobicContact CD2-CE2 4.14Å; L245-F253 HydrophobicContact CD2-CZ 3.78Å; Q248-F253 HydrophobicContact CB-CZ 4.45Å; N251-F253 HydrophobicContact CB-CE2 4.34Å; N251-F253 WeakPolarHBondContact O-CD2 3.33Å; F253-A269 HydrophobicContact CD1-CB 4.02Å; F253-I270 CarbonylContact C-O 3.56Å; F253-I270 VanDerWaalsContact CA-O 3.3Å; F253-I270 WeakPolarHBondContact CA-O 3.09Å; F253-T271 HydrophobicContact CD1-CG2 3.85Å; F253-T271 HydrophobicContact CE1-CG2 3.64Å; F253-T271 HydrophobicContact CZ-CG2 4.16Å; F253-F279 HydrophobicContact CE1-CZ 4.38Å
254	R	93.6	Very high	90.3	Very high	43 Å²	43	48.5 Å²	48.5	16%	0.162	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-35.9	-174.3	-168.7	67.2	165.9	98.1	-6.1	112.1	M198 I270 G297	M198-R254 WeakPolarHBondContact CB-O 3.49Å; R254-I270 PolarHBondContact N-O 3.28Å; R254-G297 WeakPolarHBondContact CG-O 3.3Å
255	D	96	Very high	90.3	Very high	9 Å²	9	47.9 Å²	47.9	5%	0.048	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	159.8	-179.8	-147.4	-25.8	0	0	0	112.5	S69 A199 A269 I270 S298 M299	S69-D255 VanDerWaalsContact CB-OD2 3.26Å; S69-D255 WeakPolarHBondContact CB-OD2 3.33Å; S69-D255 PolarHBondContact OG-OD2 2.99Å; A199-D255 HydrophobicContact CB-CB 4.47Å; A199-D255 WeakPolarHBondContact CB-OD1 3.48Å; D255-A269 VanDerWaalsContact O-CA 3.3Å; D255-A269 WeakPolarHBondContact O-CA 3.2Å; D255-A269 WeakPolarHBondContact O-CB 3.42Å; D255-I270 HydrophobicContact CB-CD1 3.77Å; D255-I270 HydrophobicContact CB-CG1 3.62Å; D255-I270 PolarHBondContact O-N 3.26Å; D255-I270 VanDerWaalsContact O-N 3.07Å; D255-S298 WeakPolarHBondContact OD2-CA 3.3Å; D255-M299 HydrophobicContact CB-CG 3.94Å; D255-M299 HydrophobicContact CB-SD 4.28Å; D255-M299 PolarHBondContact OD2-N 3.36Å
256	V	97	Very high	90.6	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	132.4	-179.7	62.9	0	0	0	0	112.1	A199 S201 V210 A212 T267 Y268 A269	A199-V256 HydrophobicContact CB-CG1 4.14Å; S201-V256 WeakPolarHBondContact CB-O 3.39Å; V210-V256 HydrophobicContact CB-CG2 4.26Å; V210-V256 HydrophobicContact CG1-CG2 3.9Å; A212-V256 HydrophobicContact CB-CB 3.62Å; A212-V256 HydrophobicContact CB-CG1 3.53Å; A212-V256 HydrophobicContact CB-CG2 4.37Å; V256-T267 HydrophobicContact CG2-CG2 3.59Å; V256-Y268 CarbonylContact C-O 3.58Å; V256-Y268 WeakPolarHBondContact CA-O 3.5Å; V256-Y268 WeakPolarHBondContact CG2-O 3.3Å; V256-A269 HydrophobicContact CB-CB 4.18Å; V256-A269 HydrophobicContact CG2-CB 4.13Å
257	C	96.8	Very high	91.3	Very high	24 Å²	24	46.1 Å²	46.1	16%	0.162	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	134.1	175.6	-78.8	0	0	0	0	111.5	Y268 M299 L301	C257-Y268 PolarHBondContact N-O 3.34Å; C257-Y268 PolarHBondContact O-N 3.11Å; C257-M299 HydrophobicContact CB-CG 4.49Å; C257-L301 HydrophobicContact CB-CD1 3.45Å; C257-L301 VanDerWaalsContact CB-CD1 3.45Å; C257-L301 HydrophobicContact CB-CG 3.7Å
258	C	95.8	Very high	92.1	Very high	8 Å²	8	40.9 Å²	40.9	5%	0.054	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	144.3	168.4	-62.4	0	0	0	0	110.7	S201 F202 L301	S201-C258 PolarHBondContact OG-N 3.4Å; S201-C258 VanDerWaalsContact OG-N 3.08Å; F202-C258 VanDerWaalsContact O-CB 3.3Å; F202-C258 WeakPolarHBondContact O-CB 3.4Å; C258-L301 VanDerWaalsContact O-CD1 3.3Å; C258-L301 WeakPolarHBondContact O-CD1 3.35Å
259	G	93.5	Very high	92.7	Very high	3 Å²	3	39.3 Å²	39.3	3%	0.031	21%	0.209	C	C	.	.			trans	-67.9	171.4	175	0	0	0	0	0	113.2	A264 N266	G259-A264 WeakPolarHBondContact O-CA 3.47Å; G259-N266 PolarHBondContact N-O 3.24Å
260	R	89.2	Confident	93.3	Very high	119 Å²	119	31.6 Å²	31.6	45%	0.449	18%	0.18	S	C	.	.			trans	-126.6	158.5	-179.8	-65.4	-173.4	-178.8	-79.2	4.1	111.9	E204 D262 L263 A264 D303	E204-R260 WeakPolarHBondContact OE1-CA 3.46Å; E204-R260 VanDerWaalsContact OE1-CB 3.25Å; E204-R260 WeakPolarHBondContact OE1-CB 3.21Å; E204-R260 WeakPolarHBondContact OE1-CG 3.42Å; E204-R260 IonicContact OE1-NH1 3.28Å; R260-D262 PolarHBondContact O-N 2.88Å; R260-L263 CarbonylContact O-C 3.58Å; R260-L263 WeakPolarHBondContact O-CA 3.35Å; R260-L263 PolarHBondContact O-N 2.91Å; R260-A264 PolarHBondContact O-N 3.37Å; R260-D303 WeakPolarHBondContact CB-OD1 3.41Å; R260-D303 WeakPolarHBondContact CD-OD1 3.47Å
261	G	87.5	Confident	93.6	Very high	48 Å²	48	26.4 Å²	26.4	50%	0.495	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	51.6	-125.8	177.4	0	0	0	0	0	113	E204 L263 A264	E204-G261 PolarHBondContact OE1-N 3.07Å; E204-G261 PolarHBondContact OE2-N 2.89Å; G261-L263 PolarHBondContact O-N 2.93Å; G261-A264 WeakPolarHBondContact O-CB 3.1Å; G261-A264 PolarHBondContact O-N 3.5Å
262	D	88	Confident	93.7	Very high	123 Å²	123	28.4 Å²	28.4	66%	0.658	16%	0.161	S	C	*	.	G	3₁₀ helix	trans	-49.6	-27.8	174.5	-119.1	39.4	0	0	0	113.8	R260 R321	R260-D262 PolarHBondContact O-N 2.88Å; D262-R321 IonicContact OD2-CZ 2.89Å; D262-R321 VanDerWaalsContact OD2-CZ 3.22Å; D262-R321 IonicContact OD2-NH1 3.18Å; D262-R321 PolarHBondContact OD2-NH1 2.83Å; D262-R321 IonicContact OD2-NH2 3.99Å; D262-R321 PolarHBondContact OD2-NH2 3.02Å
263	L	92	Very high	93.5	Very high	12 Å²	12	32.7 Å²	32.7	6%	0.063	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-104.2	6.3	-176.2	-55.7	178.9	0	0	0	113.3	R260 G261 S265 N266 A320 R321	R260-L263 CarbonylContact O-C 3.58Å; R260-L263 WeakPolarHBondContact O-CA 3.35Å; R260-L263 PolarHBondContact O-N 2.91Å; G261-L263 PolarHBondContact O-N 2.93Å; L263-S265 PolarHBondContact O-N 2.88Å; L263-N266 WeakPolarHBondContact O-CB 3.47Å; L263-N266 PolarHBondContact O-N 3.37Å; L263-A320 HydrophobicContact CD1-CB 3.47Å; L263-A320 VanDerWaalsContact CD1-CB 3.47Å; L263-R321 HydrophobicContact CD1-CB 4.36Å; L263-R321 HydrophobicContact CD2-CB 4.24Å; L263-R321 HydrophobicContact CD2-CG 4.15Å
264	A	90.9	Very high	93.3	Very high	30 Å²	30	32.7 Å²	32.7	25%	0.248	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-16.5	179	0	0	0	0	0	115	E204 G259 R260 G261 N266	E204-A264 HydrophobicContact CB-CB 4.42Å; E204-A264 WeakPolarHBondContact OE2-CB 3.35Å; G259-A264 WeakPolarHBondContact O-CA 3.47Å; R260-A264 PolarHBondContact O-N 3.37Å; G261-A264 WeakPolarHBondContact O-CB 3.1Å; G261-A264 PolarHBondContact O-N 3.5Å; A264-N266 VanDerWaalsContact C-N 3.29Å
265	S	91.1	Very high	93.3	Very high	62 Å²	62	31.9 Å²	31.9	43%	0.434	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-6	173.9	72.3	0	0	0	0	114.4	L263 N280 S281	L263-S265 PolarHBondContact O-N 2.88Å; S265-N280 CarbonylContact O-C 3.59Å; S265-S281 WeakPolarHBondContact O-CA 3.32Å; S265-S281 PolarHBondContact O-N 3.01Å
266	N	94.5	Very high	93.4	Very high	20 Å²	20	31.4 Å²	31.4	11%	0.107	18%	0.18	C	C	.	.			trans	-104.8	160.8	-179	-61.8	-31.4	0	0	0	112.6	G259 L263 A264 Y268 Q278 F279	G259-N266 PolarHBondContact N-O 3.24Å; L263-N266 WeakPolarHBondContact O-CB 3.47Å; L263-N266 PolarHBondContact O-N 3.37Å; A264-N266 VanDerWaalsContact C-N 3.29Å; N266-Y268 HydrophobicContact CB-CE2 3.76Å; N266-Y268 PolarHBondContact ND2-OH 2.73Å; N266-Y268 VanDerWaalsContact ND2-OH 3.15Å; N266-Q278 PolarHBondContact ND2-NE2 2.93Å; N266-Q278 VanDerWaalsContact ND2-NE2 3.14Å; N266-F279 CarbonylContact C-O 3.23Å; N266-F279 VanDerWaalsContact CA-O 3.3Å; N266-F279 WeakPolarHBondContact CA-O 3.4Å
267	T	97	Very high	93.3	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	132.2	167	-51.3	0	0	0	0	109	V210 F219 V256 F279	V210-T267 HydrophobicContact CB-CG2 4.41Å; V210-T267 HydrophobicContact CG1-CG2 4.36Å; V210-T267 HydrophobicContact CG2-CG2 4.09Å; F219-T267 WeakPolarHBondContact CE1-OG1 3.36Å; V256-T267 HydrophobicContact CG2-CG2 3.59Å; T267-F279 PolarHBondContact N-O 3.4Å; T267-F279 WeakPolarHBondContact O-CB 3.44Å; T267-F279 PolarHBondContact O-N 2.91Å
268	Y	97.5	Very high	93.2	Very high	1 Å²	1	30.5 Å²	30.5	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	142.1	-179.6	-54.3	-92.5	0	0	0	108.8	V256 C257 N266 C277 Q278 L301 I306 A320 L323	V256-Y268 CarbonylContact C-O 3.58Å; V256-Y268 WeakPolarHBondContact CA-O 3.5Å; V256-Y268 WeakPolarHBondContact CG2-O 3.3Å; C257-Y268 PolarHBondContact N-O 3.34Å; C257-Y268 PolarHBondContact O-N 3.11Å; N266-Y268 HydrophobicContact CB-CE2 3.76Å; N266-Y268 PolarHBondContact ND2-OH 2.73Å; N266-Y268 VanDerWaalsContact ND2-OH 3.15Å; Y268-C277 CarbonylContact C-O 3.48Å; Y268-C277 VanDerWaalsContact CA-O 3.31Å; Y268-C277 WeakPolarHBondContact CA-O 3.31Å; Y268-Q278 HydrophobicContact CD1-CB 4.13Å; Y268-Q278 HydrophobicContact CD1-CG 4.15Å; Y268-Q278 HydrophobicContact CE1-CB 4.11Å; Y268-Q278 HydrophobicContact CE1-CG 3.73Å; Y268-Q278 PolarHBondContact OH-NE2 3.46Å; Y268-L301 HydrophobicContact CD2-CD1 3.91Å; Y268-I306 HydrophobicContact CD1-CD1 3.43Å; Y268-I306 VanDerWaalsContact CD1-CD1 3.43Å; Y268-I306 HydrophobicContact CE1-CD1 3.7Å; Y268-I306 HydrophobicContact CG-CD1 3.96Å; Y268-A320 WeakPolarHBondContact CE1-O 3.21Å; Y268-A320 PolarHBondContact OH-O 3.26Å; Y268-L323 HydrophobicContact CD1-CD2 4.2Å; Y268-L323 HydrophobicContact CE1-CD2 4.02Å
269	A	97.3	Very high	93.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	149.2	175.6	0	0	0	0	0	110.4	F253 D255 V256 C277 F279	F253-A269 HydrophobicContact CD1-CB 4.02Å; D255-A269 VanDerWaalsContact O-CA 3.3Å; D255-A269 WeakPolarHBondContact O-CA 3.2Å; D255-A269 WeakPolarHBondContact O-CB 3.42Å; V256-A269 HydrophobicContact CB-CB 4.18Å; V256-A269 HydrophobicContact CG2-CB 4.13Å; A269-C277 PolarHBondContact N-O 3.13Å; A269-C277 WeakPolarHBondContact O-CB 3.37Å; A269-C277 PolarHBondContact O-N 2.86Å; A269-F279 HydrophobicContact CB-CE2 4.13Å
270	I	96.4	Very high	93.1	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	144.1	175.4	54.5	167.1	0	0	0	111.6	F253 R254 D255 L275 L276 L291 A296 M299 V308	F253-I270 CarbonylContact C-O 3.56Å; F253-I270 VanDerWaalsContact CA-O 3.3Å; F253-I270 WeakPolarHBondContact CA-O 3.09Å; R254-I270 PolarHBondContact N-O 3.28Å; D255-I270 HydrophobicContact CB-CD1 3.77Å; D255-I270 HydrophobicContact CB-CG1 3.62Å; D255-I270 PolarHBondContact O-N 3.26Å; D255-I270 VanDerWaalsContact O-N 3.07Å; I270-L275 CarbonylContact C-O 3.19Å; I270-L275 VanDerWaalsContact CA-O 3.31Å; I270-L275 WeakPolarHBondContact CA-O 3.48Å; I270-L276 HydrophobicContact CG2-CB 4.41Å; I270-L276 HydrophobicContact CG2-CD1 3.96Å; I270-L291 HydrophobicContact CG2-CD1 4.31Å; I270-A296 HydrophobicContact CB-CB 4.26Å; I270-A296 HydrophobicContact CD1-CB 4.02Å; I270-M299 HydrophobicContact CB-SD 4.49Å; I270-M299 HydrophobicContact CD1-CB 4.37Å; I270-M299 HydrophobicContact CG1-SD 4.11Å; I270-M299 HydrophobicContact CG2-CB 4.47Å; I270-M299 HydrophobicContact CG2-CE 4.08Å; I270-M299 HydrophobicContact CG2-SD 3.99Å; I270-V308 HydrophobicContact CD1-CG1 4.38Å; I270-V308 HydrophobicContact CG2-CG1 3.92Å; I270-V308 HydrophobicContact CG2-CG2 4.37Å
271	T	94.6	Very high	93.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	150.6	172.8	72.6	0	0	0	0	111.2	N251 N252 F253 L273 G274 L275	N251-T271 HydrophobicContact CB-CG2 4.01Å; N252-T271 CarbonylContact O-C 3.54Å; N252-T271 VanDerWaalsContact O-CA 3.26Å; N252-T271 WeakPolarHBondContact O-CA 3.23Å; F253-T271 HydrophobicContact CD1-CG2 3.85Å; F253-T271 HydrophobicContact CE1-CG2 3.64Å; F253-T271 HydrophobicContact CZ-CG2 4.16Å; T271-L273 PolarHBondContact O-N 2.99Å; T271-L273 VanDerWaalsContact O-N 3.1Å; T271-G274 PolarHBondContact O-N 3.31Å; T271-L275 HydrophobicContact CG2-CB 4.2Å; T271-L275 PolarHBondContact N-O 2.99Å; T271-L275 WeakPolarHBondContact OG1-CB 3.08Å; T271-L275 PolarHBondContact OG1-N 3.15Å; T271-L275 VanDerWaalsContact OG1-N 3.09Å
272	Q	91	Very high	93.3	Very high	61 Å²	61	35.5 Å²	35.5	29%	0.285	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-26.7	172.8	-173.3	179	-1.1	0	0	112.4	N252 G274 S295	N252-Q272 HydrophobicContact CB-CB 4.14Å; N252-Q272 PolarHBondContact ND2-OE1 2.91Å; N252-Q272 VanDerWaalsContact ND2-OE1 3.11Å; N252-Q272 PolarHBondContact O-N 3.17Å; Q272-G274 VanDerWaalsContact C-N 3.25Å; Q272-G274 PolarHBondContact O-N 3.33Å; Q272-S295 WeakPolarHBondContact O-CA 3.46Å
273	L	88.8	Confident	93.6	Very high	121 Å²	121	32.3 Å²	32.3	63%	0.634	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	22.3	177	-58.2	176.9	0	0	0	113.5	T271	T271-L273 PolarHBondContact O-N 2.99Å; T271-L273 VanDerWaalsContact O-N 3.1Å
274	G	91.3	Very high	93.5	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.01	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	38.1	174	0	0	0	0	0	114.9	T271 Q272 L291	T271-G274 PolarHBondContact O-N 3.31Å; Q272-G274 VanDerWaalsContact C-N 3.25Å; Q272-G274 PolarHBondContact O-N 3.33Å; G274-L291 VanDerWaalsContact O-CB 3.27Å; G274-L291 WeakPolarHBondContact O-CB 3.16Å; G274-L291 WeakPolarHBondContact O-CG 3.28Å; G274-L291 PolarHBondContact O-N 2.68Å
275	L	94.2	Very high	93.6	Very high	26 Å²	26	33.3 Å²	33.3	14%	0.136	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	129.6	170.7	-53.9	178.7	0	0	0	111.3	I270 T271 E290	I270-L275 CarbonylContact C-O 3.19Å; I270-L275 VanDerWaalsContact CA-O 3.31Å; I270-L275 WeakPolarHBondContact CA-O 3.48Å; T271-L275 HydrophobicContact CG2-CB 4.2Å; T271-L275 PolarHBondContact N-O 2.99Å; T271-L275 WeakPolarHBondContact OG1-CB 3.08Å; T271-L275 PolarHBondContact OG1-N 3.15Å; T271-L275 VanDerWaalsContact OG1-N 3.09Å; L275-E290 HydrophobicContact CD2-CB 4.14Å; L275-E290 HydrophobicContact CD2-CG 4.1Å
276	L	96.2	Very high	93.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	119.9	166.5	170.5	61.7	0	0	0	109	I270 W288 V289 L291 M299 I306 V308 F318 L323	I270-L276 HydrophobicContact CG2-CB 4.41Å; I270-L276 HydrophobicContact CG2-CD1 3.96Å; L276-W288 CarbonylContact O-C 3.56Å; L276-W288 WeakPolarHBondContact O-CA 3.28Å; L276-W288 WeakPolarHBondContact O-CB 3.23Å; L276-V289 HydrophobicContact CB-CG1 3.91Å; L276-V289 HydrophobicContact CD2-CG1 4.04Å; L276-V289 HydrophobicContact CG-CG1 4.26Å; L276-V289 PolarHBondContact N-O 2.98Å; L276-V289 PolarHBondContact O-N 3.48Å; L276-L291 HydrophobicContact CB-CD1 4.3Å; L276-L291 HydrophobicContact CB-CD2 3.88Å; L276-L291 HydrophobicContact CB-CG 4.19Å; L276-M299 HydrophobicContact CD1-CE 3.63Å; L276-I306 HydrophobicContact CD1-CD1 4.45Å; L276-I306 HydrophobicContact CD1-CG2 4.3Å; L276-I306 HydrophobicContact CD2-CD1 4.16Å; L276-I306 HydrophobicContact CD2-CG2 4.23Å; L276-V308 HydrophobicContact CD2-CG2 4.33Å; L276-F318 HydrophobicContact CD2-CB 4.36Å; L276-F318 HydrophobicContact CD2-CD2 3.9Å; L276-F318 HydrophobicContact CD2-CE2 4.35Å; L276-F318 HydrophobicContact CD2-CG 4.04Å; L276-L323 HydrophobicContact CD2-CD2 4.24Å; L276-L323 HydrophobicContact CG-CD2 4.5Å
277	C	95.3	Very high	93.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133	-172.7	-70.9	0	0	0	0	111.8	Y268 A269 F279 L285	Y268-C277 CarbonylContact C-O 3.48Å; Y268-C277 VanDerWaalsContact CA-O 3.31Å; Y268-C277 WeakPolarHBondContact CA-O 3.31Å; A269-C277 PolarHBondContact N-O 3.13Å; A269-C277 WeakPolarHBondContact O-CB 3.37Å; A269-C277 PolarHBondContact O-N 2.86Å; C277-F279 HydrophobicContact CB-CE2 4.07Å; C277-F279 HydrophobicContact CB-CZ 4.48Å; C277-L285 HydrophobicContact CB-CD1 3.66Å
278	Q	95.6	Very high	93.3	Very high	5 Å²	5	36.6 Å²	36.6	2%	0.023	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	120.7	174.3	-178.9	179.6	31.6	0	0	110.8	N266 Y268 E286 K287 L323	N266-Q278 PolarHBondContact ND2-NE2 2.93Å; N266-Q278 VanDerWaalsContact ND2-NE2 3.14Å; Y268-Q278 HydrophobicContact CD1-CB 4.13Å; Y268-Q278 HydrophobicContact CD1-CG 4.15Å; Y268-Q278 HydrophobicContact CE1-CB 4.11Å; Y268-Q278 HydrophobicContact CE1-CG 3.73Å; Y268-Q278 PolarHBondContact OH-NE2 3.46Å; Q278-E286 PolarHBondContact O-N 3Å; Q278-K287 HydrophobicContact CB-CB 4.34Å; Q278-K287 PolarHBondContact N-O 3.2Å; Q278-K287 PolarHBondContact O-N 3.24Å; Q278-K287 VanDerWaalsContact OE1-CD 3.25Å; Q278-L323 HydrophobicContact CB-CD1 3.97Å
279	F	95	Very high	93.2	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	138.4	171.1	-60.9	-86.5	0	0	0	110.5	V217 F219 A243 L245 F253 N266 T267 A269 C277 Q284 L285	V217-F279 HydrophobicContact CG2-CE2 4.29Å; V217-F279 HydrophobicContact CG2-CZ 4.28Å; F219-F279 HydrophobicContact CZ-CB 4.4Å; A243-F279 HydrophobicContact CB-CD1 4.04Å; A243-F279 HydrophobicContact CB-CE1 3.81Å; A243-F279 HydrophobicContact CB-CZ 4.47Å; L245-F279 HydrophobicContact CD2-CE1 3.71Å; L245-F279 HydrophobicContact CD2-CZ 3.6Å; F253-F279 HydrophobicContact CE1-CZ 4.38Å; N266-F279 CarbonylContact C-O 3.23Å; N266-F279 VanDerWaalsContact CA-O 3.3Å; N266-F279 WeakPolarHBondContact CA-O 3.4Å; T267-F279 PolarHBondContact N-O 3.4Å; T267-F279 WeakPolarHBondContact O-CB 3.44Å; T267-F279 PolarHBondContact O-N 2.91Å; A269-F279 HydrophobicContact CB-CE2 4.13Å; C277-F279 HydrophobicContact CB-CE2 4.07Å; C277-F279 HydrophobicContact CB-CZ 4.48Å; F279-Q284 WeakPolarHBondContact CA-O 3.16Å; F279-L285 HydrophobicContact CD1-CB 4.11Å; F279-L285 HydrophobicContact CE1-CB 3.76Å; F279-L285 HydrophobicContact CE1-CD1 4.16Å; F279-L285 HydrophobicContact CZ-CD1 4.16Å
280	N	92.4	Very high	93	Very high	20 Å²	20	40.7 Å²	40.7	11%	0.107	19%	0.193	C	C	.	.			trans	-92.3	176.7	175	67.4	23.9	0	0	0	112.5	S265 R282 R283 Q284 E286	S265-N280 CarbonylContact O-C 3.59Å; N280-R282 PolarHBondContact O-N 2.91Å; N280-R282 WeakPolarHBondContact OD1-CA 3.3Å; N280-R282 WeakPolarHBondContact OD1-CB 3.37Å; N280-R282 PolarHBondContact OD1-N 3.17Å; N280-R283 WeakPolarHBondContact O-CA 3.35Å; N280-R283 PolarHBondContact O-N 3.39Å; N280-Q284 PolarHBondContact N-O 2.93Å; N280-Q284 PolarHBondContact OD1-N 3.42Å; N280-Q284 PolarHBondContact OD1-O 3.48Å; N280-E286 WeakPolarHBondContact CB-OE2 3.5Å; N280-E286 PolarHBondContact ND2-OE2 3.03Å
281	S	89.5	Confident	92.9	Very high	85 Å²	85	40.7 Å²	40.7	59%	0.594	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-17.1	177.7	60.6	0	0	0	0	115.7	S265 R283	S265-S281 WeakPolarHBondContact O-CA 3.32Å; S265-S281 PolarHBondContact O-N 3.01Å; S281-R283 VanDerWaalsContact C-N 3.26Å
282	R	90.9	Very high	92.7	Very high	177 Å²	177	44.9 Å²	44.9	67%	0.668	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	3.2	173.3	-57.3	-178.1	177.7	-178.3	0	112.8	N280 Q284	N280-R282 PolarHBondContact O-N 2.91Å; N280-R282 WeakPolarHBondContact OD1-CA 3.3Å; N280-R282 WeakPolarHBondContact OD1-CB 3.37Å; N280-R282 PolarHBondContact OD1-N 3.17Å; R282-Q284 HydrophobicContact CB-CG 4.13Å; R282-Q284 PolarHBondContact O-N 3.35Å
283	R	93.2	Very high	92.5	Very high	55 Å²	55	43 Å²	43	21%	0.208	21%	0.206	C	C	.	.	S	Bend	trans	60.2	26.9	-170.1	-47.8	174.9	-65.7	-75.6	-19.5	112.8	F219 Y221 A243 I244 N280 S281	F219-R283 HydrophobicContact CB-CG 4.36Å; F219-R283 HydrophobicContact CD1-CG 3.96Å; F219-R283 HydrophobicContact CD2-CB 3.92Å; F219-R283 VanDerWaalsContact CD2-CD 3.48Å; F219-R283 HydrophobicContact CD2-CG 3.53Å; F219-R283 HydrophobicContact CE1-CG 4.11Å; F219-R283 HydrophobicContact CE2-CB 3.73Å; F219-R283 HydrophobicContact CE2-CG 3.71Å; F219-R283 HydrophobicContact CG-CG 3.69Å; F219-R283 HydrophobicContact CZ-CB 4.2Å; F219-R283 HydrophobicContact CZ-CG 4Å; Y221-R283 PolarHBondContact OH-NH1 3.25Å; A243-R283 WeakPolarHBondContact CA-O 3.43Å; I244-R283 PolarHBondContact N-O 2.78Å; N280-R283 WeakPolarHBondContact O-CA 3.35Å; N280-R283 PolarHBondContact O-N 3.39Å; S281-R283 VanDerWaalsContact C-N 3.26Å
284	Q	91.5	Very high	92.3	Very high	59 Å²	59	40.8 Å²	40.8	28%	0.276	21%	0.212	S	C	.	.	B	Isolated β-bridge	trans	-97.2	133.2	178.8	-68.9	177	-41.3	0	0	109.4	I244 F279 N280 R282 E286	I244-Q284 HydrophobicContact CB-CG 4.2Å; I244-Q284 HydrophobicContact CD1-CG 3.88Å; I244-Q284 HydrophobicContact CG1-CG 4.48Å; F279-Q284 WeakPolarHBondContact CA-O 3.16Å; N280-Q284 PolarHBondContact N-O 2.93Å; N280-Q284 PolarHBondContact OD1-N 3.42Å; N280-Q284 PolarHBondContact OD1-O 3.48Å; R282-Q284 HydrophobicContact CB-CG 4.13Å; R282-Q284 PolarHBondContact O-N 3.35Å; Q284-E286 PolarHBondContact O-N 3.07Å
285	L	92.3	Very high	92.2	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	121.4	164.7	-178.8	63.3	0	0	0	107.6	I244 Q248 C277 F279 W288 R921	I244-L285 PolarHBondContact O-N 2.85Å; Q248-L285 HydrophobicContact CB-CD2 4.35Å; Q248-L285 HydrophobicContact CG-CD2 3.62Å; C277-L285 HydrophobicContact CB-CD1 3.66Å; F279-L285 HydrophobicContact CD1-CB 4.11Å; F279-L285 HydrophobicContact CE1-CB 3.76Å; F279-L285 HydrophobicContact CE1-CD1 4.16Å; F279-L285 HydrophobicContact CZ-CD1 4.16Å; L285-W288 HydrophobicContact CD1-CE3 4.21Å; L285-W288 HydrophobicContact CD2-CD2 4.44Å; L285-W288 HydrophobicContact CD2-CE3 3.84Å; L285-W288 HydrophobicContact CD2-CZ3 4.18Å; L285-W288 HydrophobicContact CG-CE3 3.79Å; L285-W288 HydrophobicContact CG-CZ3 4.15Å; L285-R921 WeakPolarHBondContact O-CD 3.31Å; L285-R921 PolarHBondContact O-NH1 2.78Å
286	E	91.3	Very high	92.1	Very high	79 Å²	79	41.1 Å²	41.1	37%	0.369	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-48.2	-175	-173.3	172.4	125.9	0	0	111.8	Q278 N280 Q284 R921	Q278-E286 PolarHBondContact O-N 3Å; N280-E286 WeakPolarHBondContact CB-OE2 3.5Å; N280-E286 PolarHBondContact ND2-OE2 3.03Å; Q284-E286 PolarHBondContact O-N 3.07Å; E286-R921 WeakPolarHBondContact O-CB 3.45Å; E286-R921 PolarHBondContact O-N 3.17Å
287	K	92.5	Very high	91.7	Very high	42 Å²	42	41.6 Å²	41.6	18%	0.183	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	156.1	175.8	-49	-175.8	-154.1	161.5	0	111.4	Q278 R321 L323 V918 N919	Q278-K287 HydrophobicContact CB-CB 4.34Å; Q278-K287 PolarHBondContact N-O 3.2Å; Q278-K287 PolarHBondContact O-N 3.24Å; Q278-K287 VanDerWaalsContact OE1-CD 3.25Å; K287-R321 PolarHBondContact NZ-O 3.28Å; K287-L323 HydrophobicContact CB-CD1 3.75Å; K287-V918 HydrophobicContact CB-CG1 4.32Å; K287-V918 HydrophobicContact CD-CG1 4.26Å; K287-N919 CarbonylContact C-O 3.56Å; K287-N919 VanDerWaalsContact CA-O 3.23Å; K287-N919 WeakPolarHBondContact CA-O 3.35Å
288	W	93.4	Very high	91.7	Very high	32 Å²	32	41.6 Å²	41.6	12%	0.121	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	152.3	166.7	58.3	98	0	0	0	111.4	L276 L285 N919 R921 M924	L276-W288 CarbonylContact O-C 3.56Å; L276-W288 WeakPolarHBondContact O-CA 3.28Å; L276-W288 WeakPolarHBondContact O-CB 3.23Å; L285-W288 HydrophobicContact CD1-CE3 4.21Å; L285-W288 HydrophobicContact CD2-CD2 4.44Å; L285-W288 HydrophobicContact CD2-CE3 3.84Å; L285-W288 HydrophobicContact CD2-CZ3 4.18Å; L285-W288 HydrophobicContact CG-CE3 3.79Å; L285-W288 HydrophobicContact CG-CZ3 4.15Å; W288-N919 HydrophobicContact CD2-CB 4.16Å; W288-N919 HydrophobicContact CG-CB 4.46Å; W288-N919 HydrophobicContact CZ2-CB 3.87Å; W288-N919 PolarHBondContact N-O 2.84Å; W288-N919 PolarHBondContact O-N 2.99Å; W288-R921 HydrophobicContact CZ3-CB 4.41Å; W288-M924 HydrophobicContact CH2-SD 3.6Å; W288-M924 VanDerWaalsContact CH2-SD 3.6Å; W288-M924 HydrophobicContact CZ2-SD 3.72Å
289	V	94.6	Very high	91.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	146.6	174.6	65.7	0	0	0	0	109.7	L276 F318 L323 F916 V918	L276-V289 HydrophobicContact CB-CG1 3.91Å; L276-V289 HydrophobicContact CD2-CG1 4.04Å; L276-V289 HydrophobicContact CG-CG1 4.26Å; L276-V289 PolarHBondContact N-O 2.98Å; L276-V289 PolarHBondContact O-N 3.48Å; V289-F318 HydrophobicContact CG1-CD1 4.26Å; V289-F318 HydrophobicContact CG1-CE1 4Å; V289-F318 HydrophobicContact CG2-CE1 4.4Å; V289-L323 HydrophobicContact CG1-CB 4.28Å; V289-F916 HydrophobicContact CG2-CB 4.12Å; V289-V918 HydrophobicContact CB-CG2 4.38Å; V289-V918 HydrophobicContact CG2-CG2 4.35Å
290	E	93.9	Very high	91.7	Very high	87 Å²	87	42 Å²	42	41%	0.407	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	129.2	176.9	-168.8	-168.3	146.8	0	0	109.4	L275 K292	L275-E290 HydrophobicContact CD2-CB 4.14Å; L275-E290 HydrophobicContact CD2-CG 4.1Å; E290-K292 VanDerWaalsContact C-N 3.3Å; E290-K292 VanDerWaalsContact CD-CE 3.47Å; E290-K292 HydrophobicContact CG-CD 4.39Å; E290-K292 PolarHBondContact O-N 3.03Å; E290-K292 WeakPolarHBondContact OE1-CD 3.5Å; E290-K292 WeakPolarHBondContact OE1-CE 3.4Å; E290-K292 IonicContact OE1-NZ 3.25Å; E290-K292 PolarHBondContact OE1-NZ 3.44Å; E290-K292 WeakPolarHBondContact OE2-CE 3.47Å; E290-K292 IonicContact OE2-NZ 3.84Å; E290-K292 PolarHBondContact OE2-NZ 3.11Å
291	L	92.6	Very high	91.7	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.			trans	-84.3	-1.2	-171.8	-64.3	170.7	0	0	0	113.7	I270 G274 L276 A293 A296 V308 R316 F318	I270-L291 HydrophobicContact CG2-CD1 4.31Å; G274-L291 VanDerWaalsContact O-CB 3.27Å; G274-L291 WeakPolarHBondContact O-CB 3.16Å; G274-L291 WeakPolarHBondContact O-CG 3.28Å; G274-L291 PolarHBondContact O-N 2.68Å; L276-L291 HydrophobicContact CB-CD1 4.3Å; L276-L291 HydrophobicContact CB-CD2 3.88Å; L276-L291 HydrophobicContact CB-CG 4.19Å; L291-A293 PolarHBondContact O-N 2.88Å; L291-A293 VanDerWaalsContact O-N 3.14Å; L291-A296 HydrophobicContact CD1-CB 3.62Å; L291-V308 HydrophobicContact CD1-CG1 3.82Å; L291-V308 HydrophobicContact CD2-CG1 4.47Å; L291-R316 PolarHBondContact O-NE 3.42Å; L291-R316 PolarHBondContact O-NH1 2.89Å; L291-R316 VanDerWaalsContact O-NH1 3.08Å; L291-F318 HydrophobicContact CD2-CD2 4.46Å; L291-F318 HydrophobicContact CD2-CE2 3.41Å; L291-F318 VanDerWaalsContact CD2-CE2 3.41Å; L291-F318 HydrophobicContact CD2-CZ 3.49Å; L291-F318 VanDerWaalsContact CD2-CZ 3.49Å
292	K	90.6	Very high	91.7	Very high	87 Å²	87	38.6 Å²	38.6	38%	0.378	20%	0.2	S	C	.	.			trans	44.3	45.9	178.3	-56	-70.4	174.4	-168	0	113.2	E290 R316	E290-K292 VanDerWaalsContact C-N 3.3Å; E290-K292 VanDerWaalsContact CD-CE 3.47Å; E290-K292 HydrophobicContact CG-CD 4.39Å; E290-K292 PolarHBondContact O-N 3.03Å; E290-K292 WeakPolarHBondContact OE1-CD 3.5Å; E290-K292 WeakPolarHBondContact OE1-CE 3.4Å; E290-K292 IonicContact OE1-NZ 3.25Å; E290-K292 PolarHBondContact OE1-NZ 3.44Å; E290-K292 WeakPolarHBondContact OE2-CE 3.47Å; E290-K292 IonicContact OE2-NZ 3.84Å; E290-K292 PolarHBondContact OE2-NZ 3.11Å; K292-R316 PolarHBondContact O-NH2 3.34Å
293	A	87.5	Confident	91.4	Very high	23 Å²	23	34.9 Å²	34.9	19%	0.19	19%	0.193	C	C	.	.	S	Bend	trans	-141.9	158.2	177	0	0	0	0	0	109.1	L291 S295 C310	L291-A293 PolarHBondContact O-N 2.88Å; L291-A293 VanDerWaalsContact O-N 3.14Å; A293-S295 VanDerWaalsContact C-N 3.34Å; A293-S295 PolarHBondContact O-N 3.47Å; A293-C310 HydrophobicContact CB-CB 3.7Å
294	G	83.9	Confident	91	Very high	73 Å²	73	38.9 Å²	38.9	75%	0.753	22%	0.215	S	C	*	.	S	Bend	trans	-65.7	-33	-175.2	0	0	0	0	0	114.3	S311	G294-S311 PolarHBondContact N-OG 3.26Å; G294-S311 VanDerWaalsContact N-OG 3.14Å
295	S	90.3	Very high	91.1	Very high	34 Å²	34	36.8 Å²	36.8	24%	0.238	21%	0.206	C	C	.	.			trans	-149.4	159.6	175.2	-176.7	0	0	0	0	111	Q272 A293 C310 S311	Q272-S295 WeakPolarHBondContact O-CA 3.46Å; A293-S295 VanDerWaalsContact C-N 3.34Å; A293-S295 PolarHBondContact O-N 3.47Å; S295-C310 VanDerWaalsContact O-CA 3.3Å; S295-C310 WeakPolarHBondContact O-CA 3.5Å; S295-C310 VanDerWaalsContact O-CB 3.26Å; S295-C310 WeakPolarHBondContact O-CB 3.14Å; S295-S311 PolarHBondContact N-OG 2.96Å; S295-S311 VanDerWaalsContact N-OG 3.1Å; S295-S311 PolarHBondContact O-N 3.36Å
296	A	91.8	Very high	91.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	122.1	168.5	0	0	0	0	0	109.9	I270 L291 V308	I270-A296 HydrophobicContact CB-CB 4.26Å; I270-A296 HydrophobicContact CD1-CB 4.02Å; L291-A296 HydrophobicContact CD1-CB 3.62Å; A296-V308 HydrophobicContact CB-CG1 4.34Å
297	G	87.6	Confident	91.4	Very high	10 Å²	10	32.9 Å²	32.9	10%	0.103	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-44.8	-169.1	0	0	0	0	0	114.4	R254 G309	R254-G297 WeakPolarHBondContact CG-O 3.3Å; G297-G309 PolarHBondContact N-O 2.87Å
298	S	94.8	Very high	91.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	161.1	-172.7	49.2	0	0	0	0	113	D255 G309 V361 A362 V363	D255-S298 WeakPolarHBondContact OD2-CA 3.3Å; S298-G309 PolarHBondContact N-O 3.09Å; S298-G309 PolarHBondContact O-N 3.41Å; S298-V361 WeakPolarHBondContact CB-O 3.5Å; S298-V361 PolarHBondContact OG-O 2.94Å; S298-A362 WeakPolarHBondContact OG-CA 3.3Å; S298-V363 PolarHBondContact OG-N 3.16Å
299	M	96.4	Very high	91.7	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.025	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	148.2	175.9	74.3	-167.6	-55.1	0	0	113.3	D255 C257 I270 L276 I306 F307 V308	D255-M299 HydrophobicContact CB-CG 3.94Å; D255-M299 HydrophobicContact CB-SD 4.28Å; D255-M299 PolarHBondContact OD2-N 3.36Å; C257-M299 HydrophobicContact CB-CG 4.49Å; I270-M299 HydrophobicContact CB-SD 4.49Å; I270-M299 HydrophobicContact CD1-CB 4.37Å; I270-M299 HydrophobicContact CG1-SD 4.11Å; I270-M299 HydrophobicContact CG2-CB 4.47Å; I270-M299 HydrophobicContact CG2-CE 4.08Å; I270-M299 HydrophobicContact CG2-SD 3.99Å; L276-M299 HydrophobicContact CD1-CE 3.63Å; M299-I306 HydrophobicContact CE-CG2 4Å; M299-F307 VanDerWaalsContact CA-O 3.29Å; M299-F307 WeakPolarHBondContact CA-O 3.39Å; M299-V308 HydrophobicContact CB-CG2 4.49Å
300	C	95.1	Very high	91.7	Very high	10 Å²	10	29.4 Å²	29.4	7%	0.068	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	162.8	167.4	72.4	0	0	0	0	111.4	F307 I365	C300-F307 PolarHBondContact N-O 3.13Å; C300-F307 PolarHBondContact O-N 2.95Å; C300-I365 HydrophobicContact CB-CG2 4.23Å
301	L	92.8	Very high	91.6	Very high	21 Å²	21	26 Å²	26	11%	0.11	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	140	-172.5	-62.1	-176	0	0	0	112	C257 C258 Y268 I306	C257-L301 HydrophobicContact CB-CD1 3.45Å; C257-L301 VanDerWaalsContact CB-CD1 3.45Å; C257-L301 HydrophobicContact CB-CG 3.7Å; C258-L301 VanDerWaalsContact O-CD1 3.3Å; C258-L301 WeakPolarHBondContact O-CD1 3.35Å; Y268-L301 HydrophobicContact CD2-CD1 3.91Å; L301-I306 HydrophobicContact CD2-CB 3.91Å; L301-I306 HydrophobicContact CD2-CD1 4.26Å; L301-I306 HydrophobicContact CD2-CG1 3.63Å; L301-I306 HydrophobicContact CD2-CG2 3.74Å
302	S	87.9	Confident	91.5	Very high	12 Å²	12	28.3 Å²	28.3	8%	0.084	17%	0.172	C	C	.	.			trans	-96.2	-172.6	151	80.4	0	0	0	0	109.9	E304 T305	S302-E304 VanDerWaalsContact C-N 3.25Å; S302-E304 PolarHBondContact O-N 3.35Å; S302-E304 PolarHBondContact OG-N 2.88Å; S302-T305 PolarHBondContact N-O 3.25Å; S302-T305 PolarHBondContact OG-N 3.39Å; S302-T305 PolarHBondContact OG-OG1 2.71Å
303	D	84.8	Confident	91.5	Very high	99 Å²	99	24.2 Å²	24.2	53%	0.529	15%	0.154	S	C	.	.	S	Bend	trans	-68.5	-24.9	176	-55.6	-34.1	0	0	0	112.9	R260	R260-D303 WeakPolarHBondContact CB-OD1 3.41Å; R260-D303 WeakPolarHBondContact CD-OD1 3.47Å
304	E	86.5	Confident	91.7	Very high	140 Å²	140	24.3 Å²	24.3	65%	0.654	15%	0.151	S	C	*	.	S	Bend	trans	-121.7	-21.6	-175.3	-62.4	-171	155.4	0	0	114	S302 A320	S302-E304 VanDerWaalsContact C-N 3.25Å; S302-E304 PolarHBondContact O-N 3.35Å; S302-E304 PolarHBondContact OG-N 2.88Å; E304-A320 WeakPolarHBondContact O-CB 3.31Å; E304-A320 PolarHBondContact O-N 2.95Å
305	T	91.8	Very high	92.2	Very high	15 Å²	15	20.9 Å²	20.9	9%	0.092	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	147.1	-172.7	60.2	0	0	0	0	114	S302 F307 F318 I326	S302-T305 PolarHBondContact N-O 3.25Å; S302-T305 PolarHBondContact OG-N 3.39Å; S302-T305 PolarHBondContact OG-OG1 2.71Å; T305-F307 WeakPolarHBondContact OG1-CE2 3.5Å; T305-F318 CarbonylContact C-O 3.53Å; T305-F318 WeakPolarHBondContact CA-O 3.24Å; T305-I326 HydrophobicContact CG2-CD1 3.95Å
306	I	95	Very high	92.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.4	173.9	-47	-171.5	0	0	0	108.2	Y268 L276 M299 L301 V308 V317 F318 A320 L323	Y268-I306 HydrophobicContact CD1-CD1 3.43Å; Y268-I306 VanDerWaalsContact CD1-CD1 3.43Å; Y268-I306 HydrophobicContact CE1-CD1 3.7Å; Y268-I306 HydrophobicContact CG-CD1 3.96Å; L276-I306 HydrophobicContact CD1-CD1 4.45Å; L276-I306 HydrophobicContact CD1-CG2 4.3Å; L276-I306 HydrophobicContact CD2-CD1 4.16Å; L276-I306 HydrophobicContact CD2-CG2 4.23Å; M299-I306 HydrophobicContact CE-CG2 4Å; L301-I306 HydrophobicContact CD2-CB 3.91Å; L301-I306 HydrophobicContact CD2-CD1 4.26Å; L301-I306 HydrophobicContact CD2-CG1 3.63Å; L301-I306 HydrophobicContact CD2-CG2 3.74Å; I306-V308 HydrophobicContact CG2-CG2 3.83Å; I306-V317 CarbonylContact O-C 3.53Å; I306-V317 VanDerWaalsContact O-CA 3.32Å; I306-V317 WeakPolarHBondContact O-CA 3.41Å; I306-F318 HydrophobicContact CB-CB 4.33Å; I306-F318 PolarHBondContact N-O 3.13Å; I306-F318 PolarHBondContact O-N 3.23Å; I306-A320 HydrophobicContact CD1-CB 4.16Å; I306-A320 HydrophobicContact CG1-CB 3.72Å; I306-L323 HydrophobicContact CD1-CD2 3.81Å
307	F	95.4	Very high	92.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	131.5	170	-62.3	-96.5	0	0	0	108.6	M299 C300 T305 L315 V317 L329 I365 L388 V402 F405	M299-F307 VanDerWaalsContact CA-O 3.29Å; M299-F307 WeakPolarHBondContact CA-O 3.39Å; C300-F307 PolarHBondContact N-O 3.13Å; C300-F307 PolarHBondContact O-N 2.95Å; T305-F307 WeakPolarHBondContact OG1-CE2 3.5Å; F307-L315 HydrophobicContact CB-CD2 4.15Å; F307-L315 HydrophobicContact CD1-CD2 4.15Å; F307-V317 HydrophobicContact CD1-CG1 4.28Å; F307-V317 HydrophobicContact CD1-CG2 3.79Å; F307-V317 HydrophobicContact CE1-CG1 4.02Å; F307-V317 HydrophobicContact CE1-CG2 3.81Å; F307-V317 HydrophobicContact CZ-CG1 4.31Å; F307-L329 HydrophobicContact CD1-CD1 4.44Å; F307-L329 HydrophobicContact CE1-CD1 4.5Å; F307-I365 HydrophobicContact CD2-CD1 3.86Å; F307-I365 HydrophobicContact CE2-CD1 3.31Å; F307-I365 HydrophobicContact CZ-CD1 3.79Å; F307-L388 HydrophobicContact CB-CD1 4.3Å; F307-L388 HydrophobicContact CD1-CD1 4.02Å; F307-L388 HydrophobicContact CD1-CD2 3.73Å; F307-L388 HydrophobicContact CD2-CD1 4.44Å; F307-L388 HydrophobicContact CE1-CD1 4.47Å; F307-L388 HydrophobicContact CE1-CD2 4.16Å; F307-L388 HydrophobicContact CG-CD1 4.01Å; F307-L388 HydrophobicContact CG-CD2 4.44Å; F307-V402 HydrophobicContact CE1-CG2 4.25Å; F307-V402 HydrophobicContact CZ-CG2 4.38Å; F307-F405 HydrophobicContact CE1-CE1 4.02Å; F307-F405 HydrophobicContact CZ-CE1 4.07Å; F307-F405 HydrophobicContact CZ-CZ 4.28Å
308	V	96.9	Very high	92.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	121.2	-179.4	-173.1	0	0	0	0	110	I270 L276 L291 A296 M299 I306 L315 R316 F318	I270-V308 HydrophobicContact CD1-CG1 4.38Å; I270-V308 HydrophobicContact CG2-CG1 3.92Å; I270-V308 HydrophobicContact CG2-CG2 4.37Å; L276-V308 HydrophobicContact CD2-CG2 4.33Å; L291-V308 HydrophobicContact CD1-CG1 3.82Å; L291-V308 HydrophobicContact CD2-CG1 4.47Å; A296-V308 HydrophobicContact CB-CG1 4.34Å; M299-V308 HydrophobicContact CB-CG2 4.49Å; I306-V308 HydrophobicContact CG2-CG2 3.83Å; V308-L315 WeakPolarHBondContact O-CA 3.49Å; V308-R316 PolarHBondContact N-O 3.43Å; V308-R316 PolarHBondContact O-N 2.81Å; V308-F318 HydrophobicContact CG2-CD2 4.43Å
309	G	95.6	Very high	92.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	123.6	172	0	0	0	0	0	111	G297 S298	G297-G309 PolarHBondContact N-O 2.87Å; S298-G309 PolarHBondContact N-O 3.09Å; S298-G309 PolarHBondContact O-N 3.41Å
310	C	94.3	Very high	92.5	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.007	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	178.2	-179.9	-61.2	0	0	0	0	112.1	A293 S295 I314 I360	A293-C310 HydrophobicContact CB-CB 3.7Å; S295-C310 VanDerWaalsContact O-CA 3.3Å; S295-C310 WeakPolarHBondContact O-CA 3.5Å; S295-C310 VanDerWaalsContact O-CB 3.26Å; S295-C310 WeakPolarHBondContact O-CB 3.14Å; C310-I314 WeakPolarHBondContact CA-O 3.37Å; C310-I314 HydrophobicContact CB-CB 4.18Å; C310-I314 HydrophobicContact CB-CG2 4.3Å; C310-I314 VanDerWaalsContact CB-O 3.25Å; C310-I314 WeakPolarHBondContact CB-O 3.33Å; C310-I314 PolarHBondContact N-O 2.87Å; C310-I360 PolarHBondContact O-N 3.11Å
311	S	92.8	Very high	92.4	Very high	17 Å²	17	27 Å²	27	12%	0.119	13%	0.132	C	C	.	.	S	Bend	trans	-61.6	160.4	168.9	58	0	0	0	0	113.2	G294 S295 G313 I314 D359	G294-S311 PolarHBondContact N-OG 3.26Å; G294-S311 VanDerWaalsContact N-OG 3.14Å; S295-S311 PolarHBondContact N-OG 2.96Å; S295-S311 VanDerWaalsContact N-OG 3.1Å; S295-S311 PolarHBondContact O-N 3.36Å; S311-G313 VanDerWaalsContact C-N 3.34Å; S311-G313 PolarHBondContact O-N 3.33Å; S311-I314 WeakPolarHBondContact O-CB 3.21Å; S311-I314 PolarHBondContact O-N 3.08Å; S311-D359 WeakPolarHBondContact CA-OD1 3.41Å; S311-D359 VanDerWaalsContact CB-OD1 3.24Å; S311-D359 WeakPolarHBondContact CB-OD1 3.16Å
312	D	89.8	Confident	92.4	Very high	48 Å²	48	27.5 Å²	27.5	26%	0.257	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	41.2	176.7	-169.6	57.1	0	0	0	113.6	I314 K331 F357 D359	D312-I314 WeakPolarHBondContact O-CG1 3.44Å; D312-I314 PolarHBondContact O-N 2.86Å; D312-K331 WeakPolarHBondContact O-CD 3.45Å; D312-K331 WeakPolarHBondContact O-CE 3.39Å; D312-K331 PolarHBondContact O-NZ 3.03Å; D312-K331 IonicContact OD2-NZ 3.1Å; D312-K331 PolarHBondContact OD2-NZ 2.78Å; D312-F357 PolarHBondContact OD1-N 2.97Å; D312-D359 PolarHBondContact N-OD1 3.25Å
313	G	90	Very high	92.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	3.9	177.6	0	0	0	0	0	115.8	S311 L315 P358	S311-G313 VanDerWaalsContact C-N 3.34Å; S311-G313 PolarHBondContact O-N 3.33Å; G313-L315 PolarHBondContact O-N 2.98Å; G313-P358 VanDerWaalsContact CA-O 3.3Å; G313-P358 WeakPolarHBondContact CA-O 3.34Å; G313-P358 PolarHBondContact N-O 2.63Å
314	I	92.7	Very high	93.1	Very high	25 Å²	25	26.9 Å²	26.9	13%	0.128	13%	0.13	C	C	.	.			trans	-77	117	-172.5	-65.4	174.3	0	0	0	110.5	C310 S311 D312 R316 T328 I360	C310-I314 WeakPolarHBondContact CA-O 3.37Å; C310-I314 HydrophobicContact CB-CB 4.18Å; C310-I314 HydrophobicContact CB-CG2 4.3Å; C310-I314 VanDerWaalsContact CB-O 3.25Å; C310-I314 WeakPolarHBondContact CB-O 3.33Å; C310-I314 PolarHBondContact N-O 2.87Å; S311-I314 WeakPolarHBondContact O-CB 3.21Å; S311-I314 PolarHBondContact O-N 3.08Å; D312-I314 WeakPolarHBondContact O-CG1 3.44Å; D312-I314 PolarHBondContact O-N 2.86Å; I314-R316 HydrophobicContact CG2-CG 3.76Å; I314-T328 HydrophobicContact CG2-CG2 4.19Å; I314-I360 WeakPolarHBondContact O-CD1 3.25Å
315	L	94	Very high	93.4	Very high	2 Å²	2	22 Å²	22	1%	0.01	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	117.7	173.1	-155.6	168.5	0	0	0	110.6	F307 V308 G313 T328 L329 I360 V363 L388 C390	F307-L315 HydrophobicContact CB-CD2 4.15Å; F307-L315 HydrophobicContact CD1-CD2 4.15Å; V308-L315 WeakPolarHBondContact O-CA 3.49Å; G313-L315 PolarHBondContact O-N 2.98Å; L315-T328 CarbonylContact O-C 3.51Å; L315-T328 WeakPolarHBondContact O-CA 3.39Å; L315-L329 HydrophobicContact CB-CB 4.39Å; L315-L329 HydrophobicContact CD1-CD1 4.29Å; L315-L329 HydrophobicContact CD2-CD1 3.92Å; L315-L329 HydrophobicContact CD2-CG 4.35Å; L315-L329 PolarHBondContact O-N 3.03Å; L315-I360 HydrophobicContact CB-CD1 3.67Å; L315-I360 HydrophobicContact CD1-CD1 4.2Å; L315-I360 HydrophobicContact CG-CD1 4.01Å; L315-V363 HydrophobicContact CD1-CG1 4.43Å; L315-V363 HydrophobicContact CD1-CG2 4.25Å; L315-L388 HydrophobicContact CD1-CD2 3.62Å; L315-L388 HydrophobicContact CD2-CD2 4.12Å; L315-C390 WeakPolarHBondContact CD1-SG 3.45Å
316	R	93.6	Very high	93.3	Very high	10 Å²	10	24.7 Å²	24.7	4%	0.038	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	143.9	-175.4	-56.2	-165.5	-172.2	-162	6.5	112.7	L291 K292 V308 I314 F318 T328 F916	L291-R316 PolarHBondContact O-NE 3.42Å; L291-R316 PolarHBondContact O-NH1 2.89Å; L291-R316 VanDerWaalsContact O-NH1 3.08Å; K292-R316 PolarHBondContact O-NH2 3.34Å; V308-R316 PolarHBondContact N-O 3.43Å; V308-R316 PolarHBondContact O-N 2.81Å; I314-R316 HydrophobicContact CG2-CG 3.76Å; R316-F318 HydrophobicContact CB-CD2 4.43Å; R316-F318 HydrophobicContact CB-CE2 3.62Å; R316-F318 HydrophobicContact CB-CZ 4.17Å; R316-T328 HydrophobicContact CG-CG2 4.41Å; R316-F916 VanDerWaalsContact NH1-CE1 3.31Å
317	V	93.4	Very high	93.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133	-179.6	-166	0	0	0	0	109.5	I306 F307 I326 A327 L329 F405	I306-V317 CarbonylContact O-C 3.53Å; I306-V317 VanDerWaalsContact O-CA 3.32Å; I306-V317 WeakPolarHBondContact O-CA 3.41Å; F307-V317 HydrophobicContact CD1-CG1 4.28Å; F307-V317 HydrophobicContact CD1-CG2 3.79Å; F307-V317 HydrophobicContact CE1-CG1 4.02Å; F307-V317 HydrophobicContact CE1-CG2 3.81Å; F307-V317 HydrophobicContact CZ-CG1 4.31Å; V317-I326 HydrophobicContact CB-CB 4.25Å; V317-I326 HydrophobicContact CG1-CB 4.23Å; V317-I326 HydrophobicContact CG1-CD1 4.32Å; V317-I326 HydrophobicContact CG1-CG2 4.49Å; V317-I326 PolarHBondContact O-N 3.15Å; V317-A327 HydrophobicContact CB-CB 4.49Å; V317-A327 HydrophobicContact CG2-CB 4.45Å; V317-A327 PolarHBondContact N-O 3Å; V317-A327 PolarHBondContact O-N 2.96Å; V317-L329 HydrophobicContact CG2-CD1 4.43Å; V317-L329 HydrophobicContact CG2-CD2 3.96Å; V317-L329 HydrophobicContact CG2-CG 4.01Å; V317-F405 HydrophobicContact CG1-CE1 4.39Å; V317-F405 HydrophobicContact CG1-CE2 4.47Å; V317-F405 HydrophobicContact CG1-CZ 4.08Å
318	F	94.3	Very high	92.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	152.1	178.5	-62	-95.4	0	0	0	111.6	L276 V289 L291 T305 I306 V308 R316 H324 Y325 F916	L276-F318 HydrophobicContact CD2-CB 4.36Å; L276-F318 HydrophobicContact CD2-CD2 3.9Å; L276-F318 HydrophobicContact CD2-CE2 4.35Å; L276-F318 HydrophobicContact CD2-CG 4.04Å; V289-F318 HydrophobicContact CG1-CD1 4.26Å; V289-F318 HydrophobicContact CG1-CE1 4Å; V289-F318 HydrophobicContact CG2-CE1 4.4Å; L291-F318 HydrophobicContact CD2-CD2 4.46Å; L291-F318 HydrophobicContact CD2-CE2 3.41Å; L291-F318 VanDerWaalsContact CD2-CE2 3.41Å; L291-F318 HydrophobicContact CD2-CZ 3.49Å; L291-F318 VanDerWaalsContact CD2-CZ 3.49Å; T305-F318 CarbonylContact C-O 3.53Å; T305-F318 WeakPolarHBondContact CA-O 3.24Å; I306-F318 HydrophobicContact CB-CB 4.33Å; I306-F318 PolarHBondContact N-O 3.13Å; I306-F318 PolarHBondContact O-N 3.23Å; V308-F318 HydrophobicContact CG2-CD2 4.43Å; R316-F318 HydrophobicContact CB-CD2 4.43Å; R316-F318 HydrophobicContact CB-CE2 3.62Å; R316-F318 HydrophobicContact CB-CZ 4.17Å; F318-H324 CarbonylContact C-O 3.57Å; F318-H324 VanDerWaalsContact CA-O 3.26Å; F318-H324 WeakPolarHBondContact CA-O 3.12Å; F318-Y325 HydrophobicContact CE1-CD2 4.34Å; F318-Y325 HydrophobicContact CZ-CD2 4.43Å; F318-F916 AromaticContact CE1-CD1 3.76Å; F318-F916 HydrophobicContact CE1-CD1 3.76Å; F318-F916 HydrophobicContact CE1-CE1 4.08Å; F318-F916 HydrophobicContact CE1-CG 4.5Å; F318-F916 AromaticContact CZ-CD1 3.97Å; F318-F916 HydrophobicContact CZ-CD1 3.97Å; F318-F916 AromaticContact CZ-CE1 3.87Å; F318-F916 HydrophobicContact CZ-CE1 3.87Å
319	D	93.4	Very high	92.5	Very high	45 Å²	45	28.4 Å²	28.4	24%	0.241	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	125.5	167.5	160.9	48.8	0	0	0	110.2	R321 S322 L323 H324 I326	D319-R321 VanDerWaalsContact C-N 3.28Å; D319-R321 PolarHBondContact O-N 3.12Å; D319-R321 PolarHBondContact OD1-N 2.75Å; D319-R321 VanDerWaalsContact OD1-N 3.09Å; D319-R321 PolarHBondContact OD2-N 2.88Å; D319-S322 WeakPolarHBondContact OD2-CA 3.42Å; D319-S322 WeakPolarHBondContact OD2-CB 3.32Å; D319-S322 PolarHBondContact OD2-N 3.08Å; D319-S322 PolarHBondContact OD2-OG 2.95Å; D319-L323 VanDerWaalsContact O-CA 3.27Å; D319-L323 WeakPolarHBondContact O-CA 3.46Å; D319-L323 PolarHBondContact O-N 2.78Å; D319-H324 PolarHBondContact N-O 2.72Å; D319-I326 HydrophobicContact CB-CD1 4.13Å
320	A	93.6	Very high	92.1	Very high	3 Å²	3	29.8 Å²	29.8	3%	0.025	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-24.2	-176.3	0	0	0	0	0	113.3	L263 Y268 E304 I306	L263-A320 HydrophobicContact CD1-CB 3.47Å; L263-A320 VanDerWaalsContact CD1-CB 3.47Å; Y268-A320 WeakPolarHBondContact CE1-O 3.21Å; Y268-A320 PolarHBondContact OH-O 3.26Å; E304-A320 WeakPolarHBondContact O-CB 3.31Å; E304-A320 PolarHBondContact O-N 2.95Å; I306-A320 HydrophobicContact CD1-CB 4.16Å; I306-A320 HydrophobicContact CG1-CB 3.72Å
321	R	92.6	Very high	91.9	Very high	129 Å²	129	32 Å²	32	49%	0.487	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-41.3	-178.5	-167.8	174.8	-60.7	-110	3	112.2	D262 L263 K287 D319	D262-R321 IonicContact OD2-CZ 2.89Å; D262-R321 VanDerWaalsContact OD2-CZ 3.22Å; D262-R321 IonicContact OD2-NH1 3.18Å; D262-R321 PolarHBondContact OD2-NH1 2.83Å; D262-R321 IonicContact OD2-NH2 3.99Å; D262-R321 PolarHBondContact OD2-NH2 3.02Å; L263-R321 HydrophobicContact CD1-CB 4.36Å; L263-R321 HydrophobicContact CD2-CB 4.24Å; L263-R321 HydrophobicContact CD2-CG 4.15Å; K287-R321 PolarHBondContact NZ-O 3.28Å; D319-R321 VanDerWaalsContact C-N 3.28Å; D319-R321 PolarHBondContact O-N 3.12Å; D319-R321 PolarHBondContact OD1-N 2.75Å; D319-R321 VanDerWaalsContact OD1-N 3.09Å; D319-R321 PolarHBondContact OD2-N 2.88Å
322	S	92.5	Very high	91.9	Very high	31 Å²	31	31.3 Å²	31.3	22%	0.217	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-21.9	-171.5	72.8	0	0	0	0	115.3	D319 H324	D319-S322 WeakPolarHBondContact OD2-CA 3.42Å; D319-S322 WeakPolarHBondContact OD2-CB 3.32Å; D319-S322 PolarHBondContact OD2-N 3.08Å; D319-S322 PolarHBondContact OD2-OG 2.95Å; S322-H324 VanDerWaalsContact C-N 3.32Å; S322-H324 VanDerWaalsContact CB-ND1 3.31Å; S322-H324 WeakPolarHBondContact CB-ND1 3.5Å; S322-H324 PolarHBondContact OG-N 3.01Å; S322-H324 PolarHBondContact OG-ND1 3.14Å
323	L	93.9	Very high	92	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.146	C	C	.	.			trans	67	18.2	-168.7	-51.7	-177.4	0	0	0	115.5	Y268 L276 Q278 K287 V289 I306 D319 V918	Y268-L323 HydrophobicContact CD1-CD2 4.2Å; Y268-L323 HydrophobicContact CE1-CD2 4.02Å; L276-L323 HydrophobicContact CD2-CD2 4.24Å; L276-L323 HydrophobicContact CG-CD2 4.5Å; Q278-L323 HydrophobicContact CB-CD1 3.97Å; K287-L323 HydrophobicContact CB-CD1 3.75Å; V289-L323 HydrophobicContact CG1-CB 4.28Å; I306-L323 HydrophobicContact CD1-CD2 3.81Å; D319-L323 VanDerWaalsContact O-CA 3.27Å; D319-L323 WeakPolarHBondContact O-CA 3.46Å; D319-L323 PolarHBondContact O-N 2.78Å; L323-V918 HydrophobicContact CB-CG1 4.21Å; L323-V918 HydrophobicContact CB-CG2 4.05Å; L323-V918 VanDerWaalsContact O-CG2 3.28Å; L323-V918 WeakPolarHBondContact O-CG2 3.19Å
324	H	93.1	Very high	92.2	Very high	98 Å²	98	31.1 Å²	31.1	45%	0.454	15%	0.153	S	C	.	.			trans	-69.5	145.8	167.7	-67.2	88.9	0	0	0	110.8	F318 D319 S322	F318-H324 CarbonylContact C-O 3.57Å; F318-H324 VanDerWaalsContact CA-O 3.26Å; F318-H324 WeakPolarHBondContact CA-O 3.12Å; D319-H324 PolarHBondContact N-O 2.72Å; S322-H324 VanDerWaalsContact C-N 3.32Å; S322-H324 VanDerWaalsContact CB-ND1 3.31Å; S322-H324 WeakPolarHBondContact CB-ND1 3.5Å; S322-H324 PolarHBondContact OG-N 3.01Å; S322-H324 PolarHBondContact OG-ND1 3.14Å
325	Y	92.8	Very high	92.1	Very high	39 Å²	39	30.5 Å²	30.5	15%	0.153	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	139.7	173.7	169.3	-106.1	0	0	0	110.7	F318 A327 T328 E913 F916	F318-Y325 HydrophobicContact CE1-CD2 4.34Å; F318-Y325 HydrophobicContact CZ-CD2 4.43Å; Y325-A327 WeakPolarHBondContact CE2-O 3.37Å; Y325-A327 VanDerWaalsContact CZ-C 3.48Å; Y325-T328 WeakPolarHBondContact CE2-OG1 3.46Å; Y325-T328 WeakPolarHBondContact OH-CB 3.45Å; Y325-T328 PolarHBondContact OH-N 3.37Å; Y325-T328 VanDerWaalsContact OH-N 3.07Å; Y325-T328 PolarHBondContact OH-OG1 3.5Å; Y325-E913 HydrophobicContact CD1-CG 4.49Å; Y325-F916 AromaticContact CD1-CD2 3.82Å; Y325-F916 HydrophobicContact CD1-CD2 3.82Å; Y325-F916 AromaticContact CD1-CE2 3.52Å; Y325-F916 HydrophobicContact CD1-CE2 3.52Å; Y325-F916 HydrophobicContact CD1-CZ 4.21Å; Y325-F916 HydrophobicContact CD2-CD1 4.37Å; Y325-F916 HydrophobicContact CD2-CD2 4.13Å; Y325-F916 AromaticContact CD2-CE1 3.81Å; Y325-F916 HydrophobicContact CD2-CE1 3.81Å; Y325-F916 AromaticContact CD2-CE2 3.54Å; Y325-F916 HydrophobicContact CD2-CE2 3.54Å; Y325-F916 HydrophobicContact CD2-CG 4.48Å; Y325-F916 AromaticContact CD2-CZ 3.32Å; Y325-F916 HydrophobicContact CD2-CZ 3.32Å; Y325-F916 HydrophobicContact CE1-CD2 4.47Å; Y325-F916 AromaticContact CE1-CE2 3.76Å; Y325-F916 HydrophobicContact CE1-CE2 3.76Å; Y325-F916 HydrophobicContact CE1-CZ 4.33Å; Y325-F916 HydrophobicContact CE2-CE1 4.3Å; Y325-F916 AromaticContact CE2-CE2 3.78Å; Y325-F916 HydrophobicContact CE2-CE2 3.78Å; Y325-F916 AromaticContact CE2-CZ 3.48Å; Y325-F916 HydrophobicContact CE2-CZ 3.48Å; Y325-F916 VanDerWaalsContact CE2-CZ 3.48Å; Y325-F916 HydrophobicContact CG-CD1 4.41Å; Y325-F916 AromaticContact CG-CD2 3.6Å; Y325-F916 HydrophobicContact CG-CD2 3.6Å; Y325-F916 HydrophobicContact CG-CE1 4.23Å; Y325-F916 AromaticContact CG-CE2 3.38Å; Y325-F916 HydrophobicContact CG-CE2 3.38Å; Y325-F916 HydrophobicContact CG-CG 4.09Å; Y325-F916 AromaticContact CG-CZ 3.69Å; Y325-F916 HydrophobicContact CG-CZ 3.69Å; Y325-F916 AromaticContact CZ-CE2 3.86Å; Y325-F916 AromaticContact CZ-CZ 3.97Å
326	I	89.9	Confident	92	Very high	71 Å²	71	31.6 Å²	31.6	36%	0.364	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	-51.8	178	-63.6	177.1	0	0	0	110.4	T305 V317 D319 F405	T305-I326 HydrophobicContact CG2-CD1 3.95Å; V317-I326 HydrophobicContact CB-CB 4.25Å; V317-I326 HydrophobicContact CG1-CB 4.23Å; V317-I326 HydrophobicContact CG1-CD1 4.32Å; V317-I326 HydrophobicContact CG1-CG2 4.49Å; V317-I326 PolarHBondContact O-N 3.15Å; D319-I326 HydrophobicContact CB-CD1 4.13Å; I326-F405 HydrophobicContact CG2-CD2 3.82Å; I326-F405 HydrophobicContact CG2-CE2 3.93Å
327	A	89.8	Confident	91.9	Very high	15 Å²	15	31.1 Å²	31.1	12%	0.124	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	161.3	-174.6	0	0	0	0	0	111.6	V317 Y325 F405	V317-A327 HydrophobicContact CB-CB 4.49Å; V317-A327 HydrophobicContact CG2-CB 4.45Å; V317-A327 PolarHBondContact N-O 3Å; V317-A327 PolarHBondContact O-N 2.96Å; Y325-A327 WeakPolarHBondContact CE2-O 3.37Å; Y325-A327 VanDerWaalsContact CZ-C 3.48Å; A327-F405 HydrophobicContact CB-CB 4.18Å
328	T	90.6	Very high	91.8	Very high	52 Å²	52	34 Å²	34	32%	0.319	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	130.8	158.6	-60.3	0	0	0	0	106.6	I314 L315 R316 Y325	I314-T328 HydrophobicContact CG2-CG2 4.19Å; L315-T328 CarbonylContact O-C 3.51Å; L315-T328 WeakPolarHBondContact O-CA 3.39Å; R316-T328 HydrophobicContact CG-CG2 4.41Å; Y325-T328 WeakPolarHBondContact CE2-OG1 3.46Å; Y325-T328 WeakPolarHBondContact OH-CB 3.45Å; Y325-T328 PolarHBondContact OH-N 3.37Å; Y325-T328 VanDerWaalsContact OH-N 3.07Å; Y325-T328 PolarHBondContact OH-OG1 3.5Å
329	L	90.3	Very high	91.6	Very high	10 Å²	10	34 Å²	34	5%	0.052	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	160.9	178.9	-54.8	-175.5	0	0	0	110.6	F307 L315 V317 K331 L388 V402 F405 V408	F307-L329 HydrophobicContact CD1-CD1 4.44Å; F307-L329 HydrophobicContact CE1-CD1 4.5Å; L315-L329 HydrophobicContact CB-CB 4.39Å; L315-L329 HydrophobicContact CD1-CD1 4.29Å; L315-L329 HydrophobicContact CD2-CD1 3.92Å; L315-L329 HydrophobicContact CD2-CG 4.35Å; L315-L329 PolarHBondContact O-N 3.03Å; V317-L329 HydrophobicContact CG2-CD1 4.43Å; V317-L329 HydrophobicContact CG2-CD2 3.96Å; V317-L329 HydrophobicContact CG2-CG 4.01Å; L329-K331 PolarHBondContact O-N 2.95Å; L329-L388 HydrophobicContact CD1-CD2 3.46Å; L329-L388 VanDerWaalsContact CD1-CD2 3.46Å; L329-V402 HydrophobicContact CD1-CG1 3.84Å; L329-V402 HydrophobicContact CD2-CG1 4.47Å; L329-F405 HydrophobicContact CD2-CD1 4.11Å; L329-V408 HydrophobicContact CD2-CG2 3.99Å
330	P	87.1	Confident	91.3	Very high	30 Å²	30	33.6 Å²	33.6	20%	0.195	18%	0.178	C	C	.	.			trans	-45.9	138.7	171.1	-33.3	38.9	0	0	0	113.8	M349 W400 V408 L902	P330-M349 HydrophobicContact CB-CE 4.17Å; P330-W400 HydrophobicContact CB-CH2 4.44Å; P330-V408 HydrophobicContact CG-CB 3.97Å; P330-V408 HydrophobicContact CG-CG1 4.1Å; P330-V408 HydrophobicContact CG-CG2 4.44Å; P330-L902 HydrophobicContact CB-CD1 3.86Å; P330-L902 HydrophobicContact CG-CD1 4.02Å
331	K	90.7	Very high	91	Very high	48 Å²	48	35.6 Å²	35.6	21%	0.209	19%	0.194	C	C	.	.			trans	-66.8	157.1	167.1	-68.8	-164.9	-175.6	-177.4	0	110.3	D312 L329 F357	D312-K331 WeakPolarHBondContact O-CD 3.45Å; D312-K331 WeakPolarHBondContact O-CE 3.39Å; D312-K331 PolarHBondContact O-NZ 3.03Å; D312-K331 IonicContact OD2-NZ 3.1Å; D312-K331 PolarHBondContact OD2-NZ 2.78Å; L329-K331 PolarHBondContact O-N 2.95Å; K331-F357 HydrophobicContact CB-CD1 3.71Å; K331-F357 HydrophobicContact CB-CE1 3.75Å; K331-F357 HydrophobicContact CB-CG 4.33Å; K331-F357 HydrophobicContact CB-CZ 4.42Å; K331-F357 HydrophobicContact CD-CB 4.29Å; K331-F357 HydrophobicContact CD-CD1 3.73Å; K331-F357 HydrophobicContact CD-CD2 3.48Å; K331-F357 VanDerWaalsContact CD-CD2 3.48Å; K331-F357 HydrophobicContact CD-CE1 3.82Å; K331-F357 HydrophobicContact CD-CE2 3.61Å; K331-F357 HydrophobicContact CD-CG 3.56Å; K331-F357 HydrophobicContact CD-CZ 3.77Å; K331-F357 HydrophobicContact CG-CD1 4.35Å; K331-F357 HydrophobicContact CG-CE1 4.45Å
332	P	92	Very high	90.6	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	17%	0.171	C	C	.	.			trans	-66.7	-170.1	166.3	35.2	-41	0	0	0	110.5	F357 P358 Y392 Y398	P332-F357 HydrophobicContact CG-CD1 4.5Å; P332-F357 WeakPolarHBondContact O-CD1 3.25Å; P332-F357 WeakPolarHBondContact O-CE1 3.1Å; P332-P358 HydrophobicContact CG-CG 4.01Å; P332-Y392 HydrophobicContact CB-CD1 4.29Å; P332-Y392 HydrophobicContact CB-CE1 3.83Å; P332-Y392 HydrophobicContact CB-CE2 4.27Å; P332-Y392 HydrophobicContact CG-CD1 3.78Å; P332-Y392 HydrophobicContact CG-CE1 3.45Å; P332-Y392 VanDerWaalsContact CG-CE1 3.45Å; P332-Y398 HydrophobicContact CB-CD2 4.2Å; P332-Y398 HydrophobicContact CB-CE2 3.76Å
333	H	92.6	Very high	90.1	Very high	9 Å²	9	31.3 Å²	31.3	4%	0.042	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-57.4	153.8	165.5	73.6	-78	0	0	0	112.3	V337 D394 Y398 Y481	H333-V337 HydrophobicContact CB-CB 4.43Å; H333-V337 HydrophobicContact CB-CG1 3.95Å; H333-V337 VanDerWaalsContact CD2-CG1 3.49Å; H333-V337 WeakPolarHBondContact CD2-CG1 3.36Å; H333-D394 IonicContact CE1-OD2 3.82Å; H333-D394 PolarHBondContact CE1-OD2 3.42Å; H333-D394 IonicContact NE2-OD2 3.24Å; H333-D394 PolarHBondContact NE2-OD2 3.22Å; H333-Y398 WeakPolarHBondContact CB-OH 3.45Å; H333-Y398 PolarHBondContact N-OH 2.88Å; H333-Y398 AromaticContact ND1-CE2 3.81Å; H333-Y398 AromaticContact ND1-CZ 3.85Å; H333-Y398 PolarHBondContact ND1-OH 2.82Å; H333-Y481 HydrophobicContact CB-CD1 4.16Å; H333-Y481 HydrophobicContact CB-CE1 3.69Å
334	Y	92.7	Very high	89.5	Confident	36 Å²	36	35.4 Å²	35.4	14%	0.141	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-84.7	152	172.5	65.2	-89.7	0	0	0	110.9	G336 V337 F351 P352 A355	Y334-G336 PolarHBondContact O-N 3.08Å; Y334-V337 HydrophobicContact CD1-CB 4.29Å; Y334-V337 HydrophobicContact CD1-CG2 4.27Å; Y334-V337 HydrophobicContact CD2-CB 4.37Å; Y334-V337 HydrophobicContact CE1-CB 4.04Å; Y334-V337 HydrophobicContact CE1-CG2 3.73Å; Y334-V337 HydrophobicContact CE2-CB 4.11Å; Y334-V337 HydrophobicContact CG-CB 4.45Å; Y334-V337 WeakPolarHBondContact O-CB 3.39Å; Y334-V337 PolarHBondContact O-N 3.45Å; Y334-F351 HydrophobicContact CD1-CB 3.49Å; Y334-F351 VanDerWaalsContact CD1-CB 3.49Å; Y334-F351 HydrophobicContact CE1-CB 3.84Å; Y334-F351 HydrophobicContact CG-CB 4.09Å; Y334-P352 HydrophobicContact CE2-CG 4.43Å; Y334-A355 HydrophobicContact CD2-CB 4.18Å; Y334-A355 HydrophobicContact CG-CB 4.17Å
335	L	91.8	Very high	88.7	Confident	11 Å²	11	31.7 Å²	31.7	6%	0.058	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	128.2	177.5	-61.1	175.7	0	0	0	109.9	S356 P358 D394 L495 L498 R499	L335-S356 PolarHBondContact N-O 3.05Å; L335-P358 HydrophobicContact CD2-CB 4.26Å; L335-P358 HydrophobicContact CD2-CG 4.46Å; L335-D394 HydrophobicContact CD2-CB 4.33Å; L335-L495 HydrophobicContact CB-CD1 4.22Å; L335-L495 WeakPolarHBondContact O-CD1 3.44Å; L335-L498 HydrophobicContact CB-CD1 4.32Å; L335-L498 HydrophobicContact CD2-CD1 4.22Å; L335-R499 HydrophobicContact CD1-CG 3.87Å
336	G	91.2	Very high	88.1	Confident	26 Å²	26	33.1 Å²	33.1	27%	0.268	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.5	11.3	-173.8	0	0	0	0	0	115.2	Y334	Y334-G336 PolarHBondContact O-N 3.08Å
337	V	92.4	Very high	87.9	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	20%	0.195	C	C	.	.			trans	-60.6	139	179.1	70.3	0	0	0	0	113.3	H333 Y334 V339 Y481 Y490	H333-V337 HydrophobicContact CB-CB 4.43Å; H333-V337 HydrophobicContact CB-CG1 3.95Å; H333-V337 VanDerWaalsContact CD2-CG1 3.49Å; H333-V337 WeakPolarHBondContact CD2-CG1 3.36Å; Y334-V337 HydrophobicContact CD1-CB 4.29Å; Y334-V337 HydrophobicContact CD1-CG2 4.27Å; Y334-V337 HydrophobicContact CD2-CB 4.37Å; Y334-V337 HydrophobicContact CE1-CB 4.04Å; Y334-V337 HydrophobicContact CE1-CG2 3.73Å; Y334-V337 HydrophobicContact CE2-CB 4.11Å; Y334-V337 HydrophobicContact CG-CB 4.45Å; Y334-V337 WeakPolarHBondContact O-CB 3.39Å; Y334-V337 PolarHBondContact O-N 3.45Å; V337-V339 HydrophobicContact CG1-CG2 3.94Å; V337-V339 PolarHBondContact O-N 2.91Å; V337-V339 VanDerWaalsContact O-N 3.12Å; V337-Y481 HydrophobicContact CG2-CE2 4.21Å; V337-Y490 PolarHBondContact N-OH 3.36Å; V337-Y490 WeakPolarHBondContact O-CE2 3.25Å; V337-Y490 PolarHBondContact O-OH 2.79Å
338	D	90.3	Very high	87.6	Confident	61 Å²	61	31.3 Å²	31.3	33%	0.326	19%	0.191	S	C	.	.			trans	-78.6	94.4	163.6	-167.9	-15.6	0	0	0	110	A340 A341 H347 K487	D338-A340 PolarHBondContact O-N 2.79Å; D338-A340 WeakPolarHBondContact OD1-CB 3.35Å; D338-A340 PolarHBondContact OD1-N 3.27Å; D338-A341 HydrophobicContact CB-CB 4.03Å; D338-A341 PolarHBondContact O-N 2.66Å; D338-A341 VanDerWaalsContact O-N 3.15Å; D338-H347 PolarHBondContact O-CE1 3.33Å; D338-H347 VanDerWaalsContact O-CE1 3.32Å; D338-K487 WeakPolarHBondContact OD1-CE 3.42Å; D338-K487 IonicContact OD1-NZ 2.91Å; D338-K487 PolarHBondContact OD1-NZ 2.9Å; D338-K487 IonicContact OD2-NZ 3.81Å; D338-K487 PolarHBondContact OD2-NZ 3.39Å
339	V	90.8	Very high	87.1	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-52.8	-36.4	176.3	168.5	0	0	0	0	112.3	V337 A341 G342 L415 N479 Y481 L485 I488	V337-V339 HydrophobicContact CG1-CG2 3.94Å; V337-V339 PolarHBondContact O-N 2.91Å; V337-V339 VanDerWaalsContact O-N 3.12Å; V339-A341 VanDerWaalsContact C-N 3.33Å; V339-A341 PolarHBondContact O-N 2.85Å; V339-G342 PolarHBondContact O-N 2.8Å; V339-L415 HydrophobicContact CG2-CD2 3.98Å; V339-N479 HydrophobicContact CG1-CB 4.5Å; V339-N479 WeakPolarHBondContact O-CB 3.42Å; V339-Y481 HydrophobicContact CB-CD2 4.37Å; V339-Y481 HydrophobicContact CG1-CD2 4.21Å; V339-Y481 HydrophobicContact CG2-CD2 4.48Å; V339-L485 HydrophobicContact CG1-CD2 4.14Å; V339-L485 HydrophobicContact CG1-CG 4.27Å; V339-L485 HydrophobicContact CG2-CD2 4.15Å; V339-I488 HydrophobicContact CG2-CD1 3.84Å; V339-I488 HydrophobicContact CG2-CG1 4.07Å
340	A	86.4	Confident	86.7	Confident	35 Å²	35	34.1 Å²	34.1	29%	0.289	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-75.7	-21	-176.1	0	0	0	0	0	113.3	D338 G342 K487	D338-A340 PolarHBondContact O-N 2.79Å; D338-A340 WeakPolarHBondContact OD1-CB 3.35Å; D338-A340 PolarHBondContact OD1-N 3.27Å; A340-G342 VanDerWaalsContact C-N 3.31Å; A340-K487 HydrophobicContact CB-CD 3.55Å
341	A	86.7	Confident	86.7	Confident	45 Å²	45	36.5 Å²	36.5	37%	0.372	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-80.2	-12.8	175.3	0	0	0	0	0	113.1	D338 V339 L343 H347	D338-A341 HydrophobicContact CB-CB 4.03Å; D338-A341 PolarHBondContact O-N 2.66Å; D338-A341 VanDerWaalsContact O-N 3.15Å; V339-A341 VanDerWaalsContact C-N 3.33Å; V339-A341 PolarHBondContact O-N 2.85Å; A341-L343 VanDerWaalsContact C-N 3.31Å; A341-L343 PolarHBondContact O-N 2.82Å; A341-H347 WeakPolarHBondContact CB-NE2 3.38Å
342	G	84.4	Confident	86.5	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.229	C	C	.	.			trans	-74.1	73.8	178.2	0	0	0	0	0	113.6	V339 A340 N479 I480	V339-G342 PolarHBondContact O-N 2.8Å; A340-G342 VanDerWaalsContact C-N 3.31Å; G342-N479 CarbonylContact O-C 3.53Å; G342-N479 VanDerWaalsContact O-CA 3.25Å; G342-N479 WeakPolarHBondContact O-CA 3.38Å; G342-N479 WeakPolarHBondContact O-CB 3.23Å; G342-I480 WeakPolarHBondContact O-CG1 3.15Å; G342-I480 PolarHBondContact O-N 3.19Å
343	L	82.8	Confident	86.1	Confident	70 Å²	70	45.2 Å²	45.2	37%	0.366	28%	0.275	S	S	.	.			trans	-88.1	-21.4	177.4	-59.1	179.6	0	0	0	113.4	A341 Y468 H477	A341-L343 VanDerWaalsContact C-N 3.31Å; A341-L343 PolarHBondContact O-N 2.82Å; L343-Y468 HydrophobicContact CD1-CD1 3.87Å; L343-Y468 HydrophobicContact CD1-CD2 3.81Å; L343-Y468 HydrophobicContact CD1-CE1 4.02Å; L343-Y468 HydrophobicContact CD1-CE2 3.99Å; L343-Y468 HydrophobicContact CD1-CG 3.75Å; L343-H477 HydrophobicContact CD2-CB 4.5Å
344	D	80.8	Confident	85.7	Confident	87 Å²	87	48.5 Å²	48.5	47%	0.465	31%	0.311	S	S	.	.	S	Bend	trans	-143.5	170	175.9	74.9	48.4	0	0	0	113.1	S346 H347 I480	D344-S346 PolarHBondContact O-N 2.84Å; D344-S346 WeakPolarHBondContact OD1-CA 3.31Å; D344-S346 WeakPolarHBondContact OD1-CB 3.43Å; D344-S346 PolarHBondContact OD1-N 2.95Å; D344-S346 PolarHBondContact OD1-OG 3.2Å; D344-H347 WeakPolarHBondContact O-CB 3.09Å; D344-H347 PolarHBondContact O-N 3.26Å; D344-I480 WeakPolarHBondContact O-CD1 3.37Å
345	G	77	Confident	85.4	Confident	20 Å²	20	48 Å²	48	21%	0.206	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.4	-176.8	0	0	0	0	0	115.6	H347 M348 M349	G345-H347 VanDerWaalsContact C-N 3.29Å; G345-H347 PolarHBondContact O-N 3.04Å; G345-M348 PolarHBondContact O-N 3.49Å; G345-M349 PolarHBondContact O-N 3.25Å
346	S	79.9	Confident	85.3	Confident	69 Å²	69	49.3 Å²	49.3	48%	0.483	32%	0.324	S	S	.	.	H	α-helix	trans	-70.7	-26.2	176	78.1	0	0	0	0	112.3	D344 M348 M349 S350	D344-S346 PolarHBondContact O-N 2.84Å; D344-S346 WeakPolarHBondContact OD1-CA 3.31Å; D344-S346 WeakPolarHBondContact OD1-CB 3.43Å; D344-S346 PolarHBondContact OD1-N 2.95Å; D344-S346 PolarHBondContact OD1-OG 3.2Å; S346-M348 PolarHBondContact O-N 2.68Å; S346-M349 CarbonylContact O-C 3.51Å; S346-M349 PolarHBondContact O-N 3.11Å; S346-S350 WeakPolarHBondContact O-CB 3.08Å; S346-S350 PolarHBondContact O-N 2.86Å; S346-S350 PolarHBondContact O-OG 3.48Å
347	H	85.7	Confident	85.3	Confident	38 Å²	38	48.3 Å²	48.3	18%	0.176	31%	0.312	C	S	.	.	H	α-helix	trans	-69	-20.4	173.3	-165.6	-89.6	0	0	0	113	D338 A341 D344 G345 Y481	D338-H347 PolarHBondContact O-CE1 3.33Å; D338-H347 VanDerWaalsContact O-CE1 3.32Å; A341-H347 WeakPolarHBondContact CB-NE2 3.38Å; D344-H347 WeakPolarHBondContact O-CB 3.09Å; D344-H347 PolarHBondContact O-N 3.26Å; G345-H347 VanDerWaalsContact C-N 3.29Å; G345-H347 PolarHBondContact O-N 3.04Å; H347-Y481 AromaticContact ND1-CE2 3.68Å; H347-Y481 AromaticContact ND1-CZ 3.74Å; H347-Y481 PolarHBondContact ND1-OH 3.02Å; H347-Y481 PolarHBondContact O-OH 3.06Å
348	M	84	Confident	85.3	Confident	9 Å²	9	48.3 Å²	48.3	4%	0.044	31%	0.312	C	S	.	.	H	α-helix	trans	-82.1	-23.1	167.9	-82.6	-176.1	67.2	0	0	113.2	G345 S346 Y398 W400 I480 Y481 L902	G345-M348 PolarHBondContact O-N 3.49Å; S346-M348 PolarHBondContact O-N 2.68Å; M348-Y398 HydrophobicContact CE-CE1 3.84Å; M348-W400 HydrophobicContact CE-CH2 3.69Å; M348-W400 HydrophobicContact CE-CZ3 4.13Å; M348-I480 HydrophobicContact CB-CD1 4.48Å; M348-I480 HydrophobicContact CG-CD1 3.79Å; M348-I480 HydrophobicContact SD-CD1 3.77Å; M348-Y481 HydrophobicContact CG-CD1 4.31Å; M348-Y481 HydrophobicContact CG-CE1 3.44Å; M348-Y481 VanDerWaalsContact CG-CE1 3.44Å; M348-Y481 HydrophobicContact SD-CD1 4.32Å; M348-Y481 HydrophobicContact SD-CE1 4.01Å; M348-L902 HydrophobicContact CB-CD2 4Å; M348-L902 HydrophobicContact CE-CD1 4.16Å; M348-L902 HydrophobicContact SD-CD2 4.38Å
349	M	79.9	Confident	85.4	Confident	54 Å²	54	47.2 Å²	47.2	27%	0.266	31%	0.307	S	S	.	.	H	α-helix	trans	-91.3	-17.7	178.6	-62.4	-69	92.9	0	0	113.4	P330 G345 S346 L902	P330-M349 HydrophobicContact CB-CE 4.17Å; G345-M349 PolarHBondContact O-N 3.25Å; S346-M349 CarbonylContact O-C 3.51Å; S346-M349 PolarHBondContact O-N 3.11Å; M349-L902 HydrophobicContact CE-CB 4.31Å; M349-L902 HydrophobicContact CE-CD1 3.88Å; M349-L902 HydrophobicContact CE-CD2 4.37Å; M349-L902 HydrophobicContact CE-CG 4.41Å; M349-L902 HydrophobicContact SD-CB 4.49Å
350	S	82	Confident	85.6	Confident	67 Å²	67	47.4 Å²	47.4	47%	0.469	31%	0.308	S	S	.	.			trans	-110.4	122.1	-177.7	52.7	0	0	0	0	110.9	S346	S346-S350 WeakPolarHBondContact O-CB 3.08Å; S346-S350 PolarHBondContact O-N 2.86Å; S346-S350 PolarHBondContact O-OG 3.48Å
351	F	85.7	Confident	85.9	Confident	80 Å²	80	46.2 Å²	46.2	35%	0.351	30%	0.297	S	S	.	.			trans	-145.2	155.6	-177.4	47.9	-95.2	0	0	0	110.7	Y334 A355 F357	Y334-F351 HydrophobicContact CD1-CB 3.49Å; Y334-F351 VanDerWaalsContact CD1-CB 3.49Å; Y334-F351 HydrophobicContact CE1-CB 3.84Å; Y334-F351 HydrophobicContact CG-CB 4.09Å; F351-A355 HydrophobicContact CB-CB 4.14Å; F351-A355 HydrophobicContact CD2-CB 4.11Å; F351-F357 HydrophobicContact CD1-CE1 4.47Å; F351-F357 AromaticContact CD1-CZ 3.81Å; F351-F357 HydrophobicContact CD1-CZ 3.81Å; F351-F357 HydrophobicContact CD2-CE2 4.32Å; F351-F357 AromaticContact CD2-CZ 3.93Å; F351-F357 HydrophobicContact CD2-CZ 3.93Å; F351-F357 AromaticContact CE1-CZ 3.9Å; F351-F357 HydrophobicContact CE1-CZ 3.9Å; F351-F357 HydrophobicContact CE2-CE2 4.23Å; F351-F357 HydrophobicContact CE2-CZ 4.01Å; F351-F357 AromaticContact CG-CZ 3.83Å; F351-F357 HydrophobicContact CG-CZ 3.83Å; F351-F357 HydrophobicContact CZ-CE2 4.47Å; F351-F357 AromaticContact CZ-CZ 4Å; F351-F357 HydrophobicContact CZ-CZ 4Å
352	P	86.8	Confident	86.4	Confident	74 Å²	74	44 Å²	44	48%	0.481	28%	0.279	S	S	.	.			trans	-58.7	148.2	178.2	-25.5	34.5	0	0	0	113.4	Y334 G354 A355	Y334-P352 HydrophobicContact CE2-CG 4.43Å; P352-G354 PolarHBondContact O-N 3.03Å; P352-A355 HydrophobicContact CB-CB 4.4Å; P352-A355 WeakPolarHBondContact O-CB 3.15Å; P352-A355 PolarHBondContact O-N 3.21Å
353	V	84.3	Confident	86.9	Confident	159 Å²	159	44.5 Å²	44.5	96%	0.964	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	122.4	171.6	179.7	0	0	0	0	109
354	G	83.3	Confident	87.5	Confident	78 Å²	78	41.9 Å²	41.9	80%	0.804	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	5.8	-173.6	0	0	0	0	0	115	P352	P352-G354 PolarHBondContact O-N 3.03Å
355	A	87	Confident	88.1	Confident	26 Å²	26	38.4 Å²	38.4	22%	0.215	25%	0.25	C	C	.	.			trans	-58.4	147.3	167.8	0	0	0	0	0	111.1	Y334 F351 P352	Y334-A355 HydrophobicContact CD2-CB 4.18Å; Y334-A355 HydrophobicContact CG-CB 4.17Å; F351-A355 HydrophobicContact CB-CB 4.14Å; F351-A355 HydrophobicContact CD2-CB 4.11Å; P352-A355 HydrophobicContact CB-CB 4.4Å; P352-A355 WeakPolarHBondContact O-CB 3.15Å; P352-A355 PolarHBondContact O-N 3.21Å
356	S	89.3	Confident	88.8	Confident	38 Å²	38	38 Å²	38	27%	0.266	24%	0.243	S	C	.	.			trans	-124.9	151.8	-176.9	71	0	0	0	0	111.5	L335 R499	L335-S356 PolarHBondContact N-O 3.05Å; S356-R499 VanDerWaalsContact CB-NH2 3.3Å; S356-R499 PolarHBondContact OG-NH2 2.78Å
357	F	91.8	Very high	89	Confident	4 Å²	4	36.4 Å²	36.4	2%	0.018	23%	0.23	C	C	.	.			trans	-120	152.4	-170.2	-60.1	-99.3	0	0	0	110.6	D312 K331 P332 F351	D312-F357 PolarHBondContact OD1-N 2.97Å; K331-F357 HydrophobicContact CB-CD1 3.71Å; K331-F357 HydrophobicContact CB-CE1 3.75Å; K331-F357 HydrophobicContact CB-CG 4.33Å; K331-F357 HydrophobicContact CB-CZ 4.42Å; K331-F357 HydrophobicContact CD-CB 4.29Å; K331-F357 HydrophobicContact CD-CD1 3.73Å; K331-F357 HydrophobicContact CD-CD2 3.48Å; K331-F357 VanDerWaalsContact CD-CD2 3.48Å; K331-F357 HydrophobicContact CD-CE1 3.82Å; K331-F357 HydrophobicContact CD-CE2 3.61Å; K331-F357 HydrophobicContact CD-CG 3.56Å; K331-F357 HydrophobicContact CD-CZ 3.77Å; K331-F357 HydrophobicContact CG-CD1 4.35Å; K331-F357 HydrophobicContact CG-CE1 4.45Å; P332-F357 HydrophobicContact CG-CD1 4.5Å; P332-F357 WeakPolarHBondContact O-CD1 3.25Å; P332-F357 WeakPolarHBondContact O-CE1 3.1Å; F351-F357 HydrophobicContact CD1-CE1 4.47Å; F351-F357 AromaticContact CD1-CZ 3.81Å; F351-F357 HydrophobicContact CD1-CZ 3.81Å; F351-F357 HydrophobicContact CD2-CE2 4.32Å; F351-F357 AromaticContact CD2-CZ 3.93Å; F351-F357 HydrophobicContact CD2-CZ 3.93Å; F351-F357 AromaticContact CE1-CZ 3.9Å; F351-F357 HydrophobicContact CE1-CZ 3.9Å; F351-F357 HydrophobicContact CE2-CE2 4.23Å; F351-F357 HydrophobicContact CE2-CZ 4.01Å; F351-F357 AromaticContact CG-CZ 3.83Å; F351-F357 HydrophobicContact CG-CZ 3.83Å; F351-F357 HydrophobicContact CZ-CE2 4.47Å; F351-F357 AromaticContact CZ-CZ 4Å; F351-F357 HydrophobicContact CZ-CZ 4Å
358	P	92.6	Very high	88.3	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-70	146.9	177.5	30.7	-36.1	0	0	0	111.6	G313 P332 L335 Y392 D394	G313-P358 VanDerWaalsContact CA-O 3.3Å; G313-P358 WeakPolarHBondContact CA-O 3.34Å; G313-P358 PolarHBondContact N-O 2.63Å; P332-P358 HydrophobicContact CG-CG 4.01Å; L335-P358 HydrophobicContact CD2-CB 4.26Å; L335-P358 HydrophobicContact CD2-CG 4.46Å; P358-Y392 HydrophobicContact CG-CD1 4.23Å; P358-Y392 HydrophobicContact CG-CG 4.3Å; P358-D394 HydrophobicContact CB-CB 4Å
359	D	92.1	Very high	86.9	Confident	39 Å²	39	37.2 Å²	37.2	21%	0.209	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-73	144.4	-179	-69.7	-18.8	0	0	0	110.9	S311 D312 V361 Y392 S393	S311-D359 WeakPolarHBondContact CA-OD1 3.41Å; S311-D359 VanDerWaalsContact CB-OD1 3.24Å; S311-D359 WeakPolarHBondContact CB-OD1 3.16Å; D312-D359 PolarHBondContact N-OD1 3.25Å; D359-V361 PolarHBondContact O-N 2.78Å; D359-Y392 CarbonylContact O-C 3.53Å; D359-Y392 VanDerWaalsContact O-CA 3.23Å; D359-Y392 WeakPolarHBondContact O-CA 3.46Å; D359-S393 PolarHBondContact N-OG 3.26Å; D359-S393 PolarHBondContact O-N 2.53Å
360	I	94.9	Very high	85.4	Confident	3 Å²	3	40.8 Å²	40.8	2%	0.015	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	116.1	177.5	-60.2	169.3	0	0	0	110.5	C310 I314 L315 V363 Y392	C310-I360 PolarHBondContact O-N 3.11Å; I314-I360 WeakPolarHBondContact O-CD1 3.25Å; L315-I360 HydrophobicContact CB-CD1 3.67Å; L315-I360 HydrophobicContact CD1-CD1 4.2Å; L315-I360 HydrophobicContact CG-CD1 4.01Å; I360-V363 HydrophobicContact CG2-CG2 3.43Å; I360-V363 VanDerWaalsContact CG2-CG2 3.43Å; I360-Y392 HydrophobicContact CD1-CE1 4.07Å; I360-Y392 HydrophobicContact CG1-CD1 3.64Å; I360-Y392 HydrophobicContact CG1-CE1 3.43Å; I360-Y392 VanDerWaalsContact CG1-CE1 3.43Å
361	V	93.4	Very high	83.3	Confident	10 Å²	10	44.1 Å²	44.1	6%	0.061	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-43	-176.9	175.9	0	0	0	0	111.5	S298 D359 I391 M503	S298-V361 WeakPolarHBondContact CB-O 3.5Å; S298-V361 PolarHBondContact OG-O 2.94Å; D359-V361 PolarHBondContact O-N 2.78Å; V361-I391 PolarHBondContact N-O 3.4Å; V361-M503 HydrophobicContact CB-SD 4.28Å; V361-M503 HydrophobicContact CG1-CE 4.18Å; V361-M503 HydrophobicContact CG1-SD 3.61Å; V361-M503 HydrophobicContact CG2-CE 3.93Å; V361-M503 HydrophobicContact CG2-SD 3.64Å
362	A	95.9	Very high	80.8	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	146.2	-177.7	0	0	0	0	0	111.6	L72 S298 C390 I391	L72-A362 HydrophobicContact CB-CB 3.88Å; L72-A362 HydrophobicContact CD2-CB 3.67Å; L72-A362 HydrophobicContact CG-CB 4.43Å; S298-A362 WeakPolarHBondContact OG-CA 3.3Å; A362-C390 WeakPolarHBondContact O-CA 3.31Å; A362-I391 HydrophobicContact CB-CB 4.35Å; A362-I391 PolarHBondContact N-O 3.39Å; A362-I391 PolarHBondContact O-N 3.17Å
363	V	96.6	Very high	78.2	Confident	9 Å²	9	44.7 Å²	44.7	6%	0.055	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	134.4	173.8	-174.8	0	0	0	0	109.2	S298 L315 I360 L388 T389	S298-V363 PolarHBondContact OG-N 3.16Å; L315-V363 HydrophobicContact CD1-CG1 4.43Å; L315-V363 HydrophobicContact CD1-CG2 4.25Å; I360-V363 HydrophobicContact CG2-CG2 3.43Å; I360-V363 VanDerWaalsContact CG2-CG2 3.43Å; V363-L388 HydrophobicContact CG1-CD1 3.55Å; V363-L388 HydrophobicContact CG1-CD2 4.37Å; V363-L388 HydrophobicContact CG1-CG 3.88Å; V363-T389 CarbonylContact C-O 3.57Å; V363-T389 WeakPolarHBondContact CA-O 3.46Å
364	T	95.5	Very high	75.7	Confident	15 Å²	15	44 Å²	44	9%	0.092	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	158	169.2	-170.2	0	0	0	0	110.9	L72 C74 T389	L72-T364 HydrophobicContact CD1-CG2 4.08Å; L72-T364 HydrophobicContact CD2-CG2 3.97Å; L72-T364 HydrophobicContact CG-CG2 3.71Å; C74-T364 HydrophobicContact CB-CG2 3.82Å; T364-T389 PolarHBondContact N-O 2.84Å; T364-T389 PolarHBondContact O-N 3.01Å
365	I	93.4	Very high	73.2	Confident	14 Å²	14	49.1 Å²	49.1	7%	0.072	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.5	-174.8	-168.6	169.1	0	0	0	112.1	C300 F307 V367 F386 Q387 L388	C300-I365 HydrophobicContact CB-CG2 4.23Å; F307-I365 HydrophobicContact CD2-CD1 3.86Å; F307-I365 HydrophobicContact CE2-CD1 3.31Å; F307-I365 HydrophobicContact CZ-CD1 3.79Å; I365-V367 HydrophobicContact CD1-CG2 4.31Å; I365-V367 HydrophobicContact CG1-CG2 4.15Å; I365-F386 HydrophobicContact CD1-CD1 3.89Å; I365-Q387 WeakPolarHBondContact CA-O 3.28Å; I365-L388 HydrophobicContact CB-CD1 3.85Å; I365-L388 HydrophobicContact CD1-CD1 4.14Å; I365-L388 HydrophobicContact CG1-CD1 4.08Å
366	H	91	Very high	70.6	Confident	13 Å²	13	56.2 Å²	56.2	6%	0.06	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	136.3	164.6	173.5	-141.1	0	0	0	109.1	G79 Q387	G79-H366 WeakPolarHBondContact CA-ND1 3.39Å; H366-Q387 HydrophobicContact CB-CB 4.27Å; H366-Q387 PolarHBondContact N-O 2.89Å; H366-Q387 PolarHBondContact ND1-OE1 3.11Å; H366-Q387 PolarHBondContact O-N 3.46Å
367	V	84.2	Confident	67.9	Low	35 Å²	35	61 Å²	61	21%	0.212	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	90.2	178.1	-168.1	0	0	0	0	109.9	Q76 I365 F386	Q76-V367 PolarHBondContact NE2-O 3.23Å; I365-V367 HydrophobicContact CD1-CG2 4.31Å; I365-V367 HydrophobicContact CG1-CG2 4.15Å; V367-F386 HydrophobicContact CB-CD1 4.33Å; V367-F386 HydrophobicContact CB-CE1 4.36Å; V367-F386 HydrophobicContact CG1-CD1 3.85Å; V367-F386 HydrophobicContact CG1-CE1 3.55Å; V367-F386 HydrophobicContact CG1-CZ 4.39Å; V367-F386 HydrophobicContact CG2-CD1 3.89Å; V367-F386 HydrophobicContact CG2-CE1 3.95Å
368	S	70.7	Confident	65	Low	10 Å²	10	68.3 Å²	68.3	7%	0.07	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	122.9	177.7	152.7	0	0	0	0	110.5	K370 E385	S368-K370 WeakPolarHBondContact OG-CG 3.26Å; S368-E385 VanDerWaalsContact CB-OE2 3.32Å; S368-E385 WeakPolarHBondContact CB-OE2 3.39Å; S368-E385 PolarHBondContact N-O 2.89Å; S368-E385 PolarHBondContact O-N 3.19Å; S368-E385 VanDerWaalsContact O-N 3.13Å; S368-E385 PolarHBondContact OG-OE2 3.06Å
369	S	54.8	Low	62.3	Low	53 Å²	53	74.1 Å²	74.1	37%	0.371	36%	0.359	S	S	.	.			trans	-98.4	43.3	175	81.8	0	0	0	0	112.4	K371 R1481	S369-K371 PolarHBondContact O-N 3.35Å; S369-R1481 PolarHBondContact OG-NE 2.76Å; S369-R1481 PolarHBondContact OG-NH2 3.15Å
370	K	48.4	Very low	59.6	Low	130 Å²	130	78 Å²	78	57%	0.565	39%	0.386	S	S	*	.			trans	-59.2	110.7	175.1	-79.4	179.1	-155.5	137.6	0	110.5	S368 V372 E385	S368-K370 WeakPolarHBondContact OG-CG 3.26Å; K370-V372 PolarHBondContact O-N 3.07Å; K370-E385 WeakPolarHBondContact CD-OE2 3.34Å; K370-E385 WeakPolarHBondContact CE-OE2 3.14Å; K370-E385 IonicContact NZ-OE1 3.8Å; K370-E385 IonicContact NZ-OE2 3.6Å; K370-E385 PolarHBondContact NZ-OE2 3.38Å
371	K	36.6	Very low	56.8	Low	136 Å²	136	85.1 Å²	85.1	59%	0.591	42%	0.419	S	S	*	.			trans	-71.9	102	166.7	-168.5	-169.6	178.8	-160.1	0	107.1	S369 I373 E378	S369-K371 PolarHBondContact O-N 3.35Å; K371-I373 HydrophobicContact CD-CD1 4.34Å; K371-I373 HydrophobicContact CD-CG1 4.16Å; K371-I373 HydrophobicContact CG-CG1 4.25Å; K371-I373 PolarHBondContact O-N 3.26Å; K371-E378 IonicContact NZ-OE1 3.85Å; K371-E378 PolarHBondContact NZ-OE1 3.17Å
372	V	34	Very low	54.2	Low	87 Å²	87	93.7 Å²	93.7	53%	0.527	46%	0.455	S	S	.	.			trans	-64.8	96.7	177.4	-177.1	0	0	0	0	109.7	K370 F374	K370-V372 PolarHBondContact O-N 3.07Å; V372-F374 HydrophobicContact CG1-CD2 3.54Å; V372-F374 HydrophobicContact CG1-CE2 3.48Å; V372-F374 VanDerWaalsContact CG1-CE2 3.48Å; V372-F374 HydrophobicContact CG1-CZ 4.43Å; V372-F374 PolarHBondContact O-N 2.92Å
373	I	31.6	Very low	51.7	Low	79 Å²	79	100.1 Å²	100.1	41%	0.405	48%	0.48	S	S	.	.			trans	-95.1	85.3	175.1	-59	171.7	0	0	0	108	K371 F375 F1485	K371-I373 HydrophobicContact CD-CD1 4.34Å; K371-I373 HydrophobicContact CD-CG1 4.16Å; K371-I373 HydrophobicContact CG-CG1 4.25Å; K371-I373 PolarHBondContact O-N 3.26Å; I373-F375 HydrophobicContact CG2-CE2 4.46Å; I373-F375 PolarHBondContact O-N 2.98Å; I373-F1485 HydrophobicContact CD1-CZ 4.34Å
374	F	32.3	Very low	49.7	Very low	144 Å²	144	102.9 Å²	102.9	63%	0.632	49%	0.494	S	S	*	.			trans	-68.5	117.9	159.8	-80.4	-71.3	0	0	0	108.6	V372 H376	V372-F374 HydrophobicContact CG1-CD2 3.54Å; V372-F374 HydrophobicContact CG1-CE2 3.48Å; V372-F374 VanDerWaalsContact CG1-CE2 3.48Å; V372-F374 HydrophobicContact CG1-CZ 4.43Å; V372-F374 PolarHBondContact O-N 2.92Å; F374-H376 CarbonylContact O-C 3.57Å; F374-H376 PolarHBondContact O-N 2.7Å
375	F	31.4	Very low	48.2	Very low	187 Å²	187	105 Å²	105	82%	0.82	50%	0.503	S	S	*	.	S	Bend	trans	-67.6	107.1	172.2	-77.1	-88.2	0	0	0	108.7	I373	I373-F375 HydrophobicContact CG2-CE2 4.46Å; I373-F375 PolarHBondContact O-N 2.98Å
376	H	31.6	Very low	47.3	Very low	174 Å²	174	105.7 Å²	105.7	81%	0.806	51%	0.505	S	S	*	.	S	Bend	trans	89.2	116.4	-161.2	-55.3	78.8	0	0	0	113.1	F374	F374-H376 CarbonylContact O-C 3.57Å; F374-H376 PolarHBondContact O-N 2.7Å
377	F	32.2	Very low	47.2	Very low	139 Å²	139	106.8 Å²	106.8	61%	0.61	51%	0.51	S	S	*	.			trans	69.9	97	-173.3	-68.6	-92.6	0	0	0	116.4	I379	F377-I379 PolarHBondContact O-N 3.34Å
378	E	31.2	Very low	47.6	Very low	157 Å²	157	105.1 Å²	105.1	73%	0.734	50%	0.5	S	S	*	.			trans	-68.2	115.3	157.6	-77.4	-168	119.4	0	0	109.7	K371	K371-E378 IonicContact NZ-OE1 3.85Å; K371-E378 PolarHBondContact NZ-OE1 3.17Å
379	I	36.4	Very low	48.8	Very low	122 Å²	122	104.9 Å²	104.9	63%	0.626	50%	0.498	S	S	*	.			trans	-86.6	127.6	164.4	-61.8	175.1	0	0	0	107.1	F377 H381	F377-I379 PolarHBondContact O-N 3.34Å; I379-H381 HydrophobicContact CG2-CB 4.41Å; I379-H381 PolarHBondContact O-N 3.39Å
380	P	34.8	Very low	50.8	Low	120 Å²	120	102.3 Å²	102.3	78%	0.779	48%	0.48	S	S	*	.	S	Bend	trans	-77.2	10.2	-169	31.8	-37.5	0	0	0	114.9
381	H	36	Very low	53.1	Low	153 Å²	153	96.1 Å²	96.1	71%	0.708	45%	0.454	S	S	*	.			trans	-101.3	111.4	-177.4	-61.8	-71.5	0	0	0	110.5	I379 R383	I379-H381 HydrophobicContact CG2-CB 4.41Å; I379-H381 PolarHBondContact O-N 3.39Å; H381-R383 PolarHBondContact O-N 2.58Å; H381-R383 VanDerWaalsContact O-N 3.07Å
382	K	39.4	Very low	55.9	Low	191 Å²	191	89.7 Å²	89.7	83%	0.83	43%	0.426	S	S	*	.			trans	-65.5	101.2	159.1	-71.3	-179.3	177.9	-179.7	0	107.5	L384	K382-L384 PolarHBondContact O-N 2.66Å
383	R	42.8	Very low	58.6	Low	135 Å²	135	85.8 Å²	85.8	51%	0.509	40%	0.402	S	S	.	.			trans	-75.1	119.8	161.2	-163.2	174.6	-169.1	-177.2	0.5	106.4	H381	H381-R383 PolarHBondContact O-N 2.58Å; H381-R383 VanDerWaalsContact O-N 3.07Å
384	L	55	Low	61.5	Low	67 Å²	67	82.4 Å²	82.4	35%	0.351	39%	0.385	S	S	.	.			trans	-81.3	127.8	170	-69.3	172.9	0	0	0	107.5	K382 F386 A403	K382-L384 PolarHBondContact O-N 2.66Å; L384-F386 HydrophobicContact CB-CD2 4.01Å; L384-F386 HydrophobicContact CB-CE2 3.61Å; L384-F386 HydrophobicContact CB-CZ 3.97Å; L384-F386 HydrophobicContact CD1-CE2 3.9Å; L384-F386 HydrophobicContact CD1-CZ 3.63Å; L384-F386 HydrophobicContact CG-CE2 4.41Å; L384-F386 HydrophobicContact CG-CZ 4.44Å; L384-F386 PolarHBondContact O-N 2.75Å; L384-A403 WeakPolarHBondContact O-CB 3.16Å
385	E	63.4	Low	64.4	Low	60 Å²	60	75.6 Å²	75.6	28%	0.28	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	99.5	172.2	-73.5	172.2	177.9	0	0	107.2	S368 K370	S368-E385 VanDerWaalsContact CB-OE2 3.32Å; S368-E385 WeakPolarHBondContact CB-OE2 3.39Å; S368-E385 PolarHBondContact N-O 2.89Å; S368-E385 PolarHBondContact O-N 3.19Å; S368-E385 VanDerWaalsContact O-N 3.13Å; S368-E385 PolarHBondContact OG-OE2 3.06Å; K370-E385 WeakPolarHBondContact CD-OE2 3.34Å; K370-E385 WeakPolarHBondContact CE-OE2 3.14Å; K370-E385 IonicContact NZ-OE1 3.8Å; K370-E385 IonicContact NZ-OE2 3.6Å; K370-E385 PolarHBondContact NZ-OE2 3.38Å
386	F	75.9	Confident	67.4	Low	27 Å²	27	66.7 Å²	66.7	12%	0.118	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	114.3	172.9	-68.2	-70.8	0	0	0	109	I365 V367 L384 V402	I365-F386 HydrophobicContact CD1-CD1 3.89Å; V367-F386 HydrophobicContact CB-CD1 4.33Å; V367-F386 HydrophobicContact CB-CE1 4.36Å; V367-F386 HydrophobicContact CG1-CD1 3.85Å; V367-F386 HydrophobicContact CG1-CE1 3.55Å; V367-F386 HydrophobicContact CG1-CZ 4.39Å; V367-F386 HydrophobicContact CG2-CD1 3.89Å; V367-F386 HydrophobicContact CG2-CE1 3.95Å; L384-F386 HydrophobicContact CB-CD2 4.01Å; L384-F386 HydrophobicContact CB-CE2 3.61Å; L384-F386 HydrophobicContact CB-CZ 3.97Å; L384-F386 HydrophobicContact CD1-CE2 3.9Å; L384-F386 HydrophobicContact CD1-CZ 3.63Å; L384-F386 HydrophobicContact CG-CE2 4.41Å; L384-F386 HydrophobicContact CG-CZ 4.44Å; L384-F386 PolarHBondContact O-N 2.75Å; F386-V402 HydrophobicContact CB-CG2 3.53Å; F386-V402 PolarHBondContact O-N 3.15Å
387	Q	88.2	Confident	70.5	Confident	37 Å²	37	58.4 Å²	58.4	17%	0.173	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	125.4	171.2	-64.6	176.7	-62.2	0	0	109.5	A94 I365 H366 W400	A94-Q387 PolarHBondContact O-NE2 3.42Å; I365-Q387 WeakPolarHBondContact CA-O 3.28Å; H366-Q387 HydrophobicContact CB-CB 4.27Å; H366-Q387 PolarHBondContact N-O 2.89Å; H366-Q387 PolarHBondContact ND1-OE1 3.11Å; H366-Q387 PolarHBondContact O-N 3.46Å; Q387-W400 CarbonylContact C-O 3.59Å; Q387-W400 VanDerWaalsContact CA-O 3.3Å; Q387-W400 WeakPolarHBondContact CA-O 3.35Å
388	L	93.5	Very high	73.5	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	118.8	-172.9	-168.5	73.9	0	0	0	109.4	F307 L315 L329 V363 I365 W400 V402	F307-L388 HydrophobicContact CB-CD1 4.3Å; F307-L388 HydrophobicContact CD1-CD1 4.02Å; F307-L388 HydrophobicContact CD1-CD2 3.73Å; F307-L388 HydrophobicContact CD2-CD1 4.44Å; F307-L388 HydrophobicContact CE1-CD1 4.47Å; F307-L388 HydrophobicContact CE1-CD2 4.16Å; F307-L388 HydrophobicContact CG-CD1 4.01Å; F307-L388 HydrophobicContact CG-CD2 4.44Å; L315-L388 HydrophobicContact CD1-CD2 3.62Å; L315-L388 HydrophobicContact CD2-CD2 4.12Å; L329-L388 HydrophobicContact CD1-CD2 3.46Å; L329-L388 VanDerWaalsContact CD1-CD2 3.46Å; V363-L388 HydrophobicContact CG1-CD1 3.55Å; V363-L388 HydrophobicContact CG1-CD2 4.37Å; V363-L388 HydrophobicContact CG1-CG 3.88Å; I365-L388 HydrophobicContact CB-CD1 3.85Å; I365-L388 HydrophobicContact CD1-CD1 4.14Å; I365-L388 HydrophobicContact CG1-CD1 4.08Å; L388-W400 HydrophobicContact CB-CB 4.44Å; L388-W400 PolarHBondContact N-O 2.84Å; L388-W400 PolarHBondContact O-N 3.4Å; L388-V402 HydrophobicContact CB-CG1 4.24Å; L388-V402 HydrophobicContact CB-CG2 4.11Å; L388-V402 HydrophobicContact CD2-CG1 4.45Å
389	T	96	Very high	76.4	Confident	4 Å²	4	44.5 Å²	44.5	3%	0.025	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	128.3	180	-53	0	0	0	0	110.5	V81 V363 T364 L397 Y398 M399	V81-T389 HydrophobicContact CG1-CG2 4.08Å; V81-T389 HydrophobicContact CG2-CG2 4.34Å; V363-T389 CarbonylContact C-O 3.57Å; V363-T389 WeakPolarHBondContact CA-O 3.46Å; T364-T389 PolarHBondContact N-O 2.84Å; T364-T389 PolarHBondContact O-N 3.01Å; T389-L397 HydrophobicContact CG2-CD1 4.31Å; T389-L397 HydrophobicContact CG2-CD2 4.06Å; T389-L397 HydrophobicContact CG2-CG 4.11Å; T389-Y398 CarbonylContact C-O 3.57Å; T389-Y398 WeakPolarHBondContact CA-O 3.35Å; T389-M399 HydrophobicContact CG2-CG 3.83Å
390	C	96.2	Very high	79.1	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	139	-173.8	-54.5	0	0	0	0	110.5	L315 A362 Y392 L397 Y398	L315-C390 WeakPolarHBondContact CD1-SG 3.45Å; A362-C390 WeakPolarHBondContact O-CA 3.31Å; C390-Y392 HydrophobicContact CB-CD2 4.49Å; C390-Y392 HydrophobicContact CB-CE2 3.63Å; C390-L397 CarbonylContact O-C 3.54Å; C390-L397 VanDerWaalsContact O-CA 3.3Å; C390-L397 WeakPolarHBondContact O-CA 3.22Å; C390-Y398 PolarHBondContact N-O 2.69Å; C390-Y398 PolarHBondContact O-N 2.99Å
391	I	96.2	Very high	81.7	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	139.1	169.9	-66.5	176.2	0	0	0	109	L64 A66 L72 V361 A362 S396 L397	L64-I391 HydrophobicContact CD1-CG2 3.7Å; L64-I391 HydrophobicContact CD2-CD1 4.15Å; L64-I391 HydrophobicContact CD2-CG1 4.14Å; L64-I391 HydrophobicContact CD2-CG2 4.04Å; A66-I391 HydrophobicContact CB-CD1 3.81Å; L72-I391 HydrophobicContact CB-CD1 4.36Å; L72-I391 HydrophobicContact CD1-CD1 3.99Å; L72-I391 HydrophobicContact CD2-CD1 4.09Å; L72-I391 HydrophobicContact CD2-CG1 4.11Å; L72-I391 HydrophobicContact CG-CD1 4.37Å; V361-I391 PolarHBondContact N-O 3.4Å; A362-I391 HydrophobicContact CB-CB 4.35Å; A362-I391 PolarHBondContact N-O 3.39Å; A362-I391 PolarHBondContact O-N 3.17Å; I391-S396 WeakPolarHBondContact CA-O 3.28Å; I391-L397 HydrophobicContact CD1-CD1 4.15Å; I391-L397 HydrophobicContact CG1-CB 4.24Å; I391-L397 HydrophobicContact CG1-CD1 3.92Å; I391-L397 HydrophobicContact CG1-CG 4.12Å
392	Y	95	Very high	84.1	Confident	1 Å²	1	26.9 Å²	26.9	0%	0.004	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	163.8	-172.9	-55.9	-100.7	0	0	0	112.4	P332 P358 D359 I360 C390 D394 H395 S396 Y398 W400	P332-Y392 HydrophobicContact CB-CD1 4.29Å; P332-Y392 HydrophobicContact CB-CE1 3.83Å; P332-Y392 HydrophobicContact CB-CE2 4.27Å; P332-Y392 HydrophobicContact CG-CD1 3.78Å; P332-Y392 HydrophobicContact CG-CE1 3.45Å; P332-Y392 VanDerWaalsContact CG-CE1 3.45Å; P358-Y392 HydrophobicContact CG-CD1 4.23Å; P358-Y392 HydrophobicContact CG-CG 4.3Å; D359-Y392 CarbonylContact O-C 3.53Å; D359-Y392 VanDerWaalsContact O-CA 3.23Å; D359-Y392 WeakPolarHBondContact O-CA 3.46Å; I360-Y392 HydrophobicContact CD1-CE1 4.07Å; I360-Y392 HydrophobicContact CG1-CD1 3.64Å; I360-Y392 HydrophobicContact CG1-CE1 3.43Å; I360-Y392 VanDerWaalsContact CG1-CE1 3.43Å; C390-Y392 HydrophobicContact CB-CD2 4.49Å; C390-Y392 HydrophobicContact CB-CE2 3.63Å; Y392-D394 VanDerWaalsContact CB-OD1 3.32Å; Y392-D394 WeakPolarHBondContact CB-OD1 3.39Å; Y392-D394 PolarHBondContact O-N 3.04Å; Y392-D394 VanDerWaalsContact O-N 3.08Å; Y392-H395 PolarHBondContact O-N 3.02Å; Y392-H395 VanDerWaalsContact O-N 3.09Å; Y392-S396 PolarHBondContact N-O 2.84Å; Y392-Y398 HydrophobicContact CD2-CD2 4.09Å; Y392-Y398 AromaticContact CE2-CD2 3.59Å; Y392-Y398 HydrophobicContact CE2-CD2 3.59Å; Y392-Y398 HydrophobicContact CE2-CE2 4.46Å; Y392-Y398 HydrophobicContact CE2-CG 4.17Å; Y392-W400 PolarHBondContact OH-NE1 2.9Å
393	S	92.1	Very high	86.1	Confident	5 Å²	5	19 Å²	19	4%	0.035	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-0.7	-171.5	67.9	0	0	0	0	116.1	D359 D500	D359-S393 PolarHBondContact N-OG 3.26Å; D359-S393 PolarHBondContact O-N 2.53Å; S393-D500 PolarHBondContact O-N 2.86Å; S393-D500 VanDerWaalsContact O-N 3.11Å
394	D	91.3	Very high	87.8	Confident	8 Å²	8	15.4 Å²	15.4	4%	0.043	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	9.5	174.8	68.2	-30.1	0	0	0	112.2	H333 L335 P358 Y392 S396	H333-D394 IonicContact CE1-OD2 3.82Å; H333-D394 PolarHBondContact CE1-OD2 3.42Å; H333-D394 IonicContact NE2-OD2 3.24Å; H333-D394 PolarHBondContact NE2-OD2 3.22Å; L335-D394 HydrophobicContact CD2-CB 4.33Å; P358-D394 HydrophobicContact CB-CB 4Å; Y392-D394 VanDerWaalsContact CB-OD1 3.32Å; Y392-D394 WeakPolarHBondContact CB-OD1 3.39Å; Y392-D394 PolarHBondContact O-N 3.04Å; Y392-D394 VanDerWaalsContact O-N 3.08Å; D394-S396 VanDerWaalsContact CG-OG 3.29Å; D394-S396 PolarHBondContact O-N 2.75Å; D394-S396 VanDerWaalsContact OD1-CB 3.32Å; D394-S396 WeakPolarHBondContact OD1-CB 3.37Å; D394-S396 PolarHBondContact OD1-N 2.84Å; D394-S396 PolarHBondContact OD1-OG 2.87Å; D394-S396 WeakPolarHBondContact OD2-CB 3.21Å; D394-S396 PolarHBondContact OD2-OG 2.98Å; D394-S396 VanDerWaalsContact OD2-OG 3.12Å
395	H	93.9	Very high	89.1	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.077	C	C	.	.	S	Bend	trans	60.2	22.8	-168	-64.4	171.2	0	0	0	114.9	L64 Y392 A416 H417 S418 S765 R1010	L64-H395 HydrophobicContact CD1-CB 3.95Å; L64-H395 WeakPolarHBondContact CD2-O 3.34Å; L64-H395 HydrophobicContact CG-CB 4.12Å; L64-H395 PolarHBondContact O-ND1 3.44Å; Y392-H395 PolarHBondContact O-N 3.02Å; Y392-H395 VanDerWaalsContact O-N 3.09Å; H395-A416 HydrophobicContact CB-CB 4.4Å; H395-H417 WeakPolarHBondContact CB-O 3.38Å; H395-H417 PolarHBondContact ND1-O 2.68Å; H395-S418 PolarHBondContact CE1-O 3.36Å; H395-S418 WeakPolarHBondContact ND1-CA 3.16Å; H395-S765 PolarHBondContact CE1-OG 3.04Å; H395-S765 PolarHBondContact ND1-OG 2.95Å; H395-S765 VanDerWaalsContact ND1-OG 3.14Å; H395-R1010 PolarHBondContact NE2-NH2 2.74Å
396	S	95	Very high	89.7	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	151.8	164.5	69.9	0	0	0	0	112.2	I391 Y392 D394 L414	I391-S396 WeakPolarHBondContact CA-O 3.28Å; Y392-S396 PolarHBondContact N-O 2.84Å; D394-S396 VanDerWaalsContact CG-OG 3.29Å; D394-S396 PolarHBondContact O-N 2.75Å; D394-S396 VanDerWaalsContact OD1-CB 3.32Å; D394-S396 WeakPolarHBondContact OD1-CB 3.37Å; D394-S396 PolarHBondContact OD1-N 2.84Å; D394-S396 PolarHBondContact OD1-OG 2.87Å; D394-S396 WeakPolarHBondContact OD2-CB 3.21Å; D394-S396 PolarHBondContact OD2-OG 2.98Å; D394-S396 VanDerWaalsContact OD2-OG 3.12Å; S396-L414 CarbonylContact C-O 3.37Å; S396-L414 WeakPolarHBondContact CA-O 3.39Å; S396-L414 WeakPolarHBondContact CB-O 3.49Å
397	L	95.6	Very high	89.8	Confident	1 Å²	1	24.1 Å²	24.1	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	137.2	174.7	177.7	156.8	0	0	0	108.9	L64 Y83 L92 T389 C390 I391 M399 S413 L414	L64-L397 HydrophobicContact CD2-CB 3.79Å; L64-L397 HydrophobicContact CD2-CD1 4.31Å; Y83-L397 HydrophobicContact CD1-CD1 3.87Å; Y83-L397 HydrophobicContact CE1-CD1 3.81Å; Y83-L397 HydrophobicContact CG-CD1 4.4Å; L92-L397 HydrophobicContact CD2-CD2 4.35Å; T389-L397 HydrophobicContact CG2-CD1 4.31Å; T389-L397 HydrophobicContact CG2-CD2 4.06Å; T389-L397 HydrophobicContact CG2-CG 4.11Å; C390-L397 CarbonylContact O-C 3.54Å; C390-L397 VanDerWaalsContact O-CA 3.3Å; C390-L397 WeakPolarHBondContact O-CA 3.22Å; I391-L397 HydrophobicContact CD1-CD1 4.15Å; I391-L397 HydrophobicContact CG1-CB 4.24Å; I391-L397 HydrophobicContact CG1-CD1 3.92Å; I391-L397 HydrophobicContact CG1-CG 4.12Å; L397-M399 HydrophobicContact CD2-CG 4.03Å; L397-S413 CarbonylContact O-C 3.56Å; L397-S413 WeakPolarHBondContact O-CA 3.49Å; L397-S413 WeakPolarHBondContact O-CB 3.21Å; L397-L414 HydrophobicContact CB-CB 4.41Å; L397-L414 PolarHBondContact N-O 3.1Å; L397-L414 PolarHBondContact O-N 2.91Å
398	Y	94.9	Very high	89.7	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	138.3	173.4	-76.2	-108.7	0	0	0	111.1	P332 H333 M348 T389 C390 Y392 W400 K410 L415	P332-Y398 HydrophobicContact CB-CD2 4.2Å; P332-Y398 HydrophobicContact CB-CE2 3.76Å; H333-Y398 WeakPolarHBondContact CB-OH 3.45Å; H333-Y398 PolarHBondContact N-OH 2.88Å; H333-Y398 AromaticContact ND1-CE2 3.81Å; H333-Y398 AromaticContact ND1-CZ 3.85Å; H333-Y398 PolarHBondContact ND1-OH 2.82Å; M348-Y398 HydrophobicContact CE-CE1 3.84Å; T389-Y398 CarbonylContact C-O 3.57Å; T389-Y398 WeakPolarHBondContact CA-O 3.35Å; C390-Y398 PolarHBondContact N-O 2.69Å; C390-Y398 PolarHBondContact O-N 2.99Å; Y392-Y398 HydrophobicContact CD2-CD2 4.09Å; Y392-Y398 AromaticContact CE2-CD2 3.59Å; Y392-Y398 HydrophobicContact CE2-CD2 3.59Å; Y392-Y398 HydrophobicContact CE2-CE2 4.46Å; Y392-Y398 HydrophobicContact CE2-CG 4.17Å; Y398-W400 AromaticContact CD1-CH2 3.69Å; Y398-W400 HydrophobicContact CD1-CH2 3.69Å; Y398-W400 AromaticContact CD1-CZ2 3.5Å; Y398-W400 HydrophobicContact CD1-CZ2 3.5Å; Y398-W400 VanDerWaalsContact CD1-CZ2 3.5Å; Y398-W400 HydrophobicContact CD1-CZ3 4.35Å; Y398-W400 HydrophobicContact CE1-CH2 4.11Å; Y398-W400 HydrophobicContact CE1-CZ2 4.22Å; Y398-W400 HydrophobicContact CG-CH2 4.43Å; Y398-W400 AromaticContact CG-CZ2 3.79Å; Y398-W400 HydrophobicContact CG-CZ2 3.79Å; Y398-K410 HydrophobicContact CD1-CD 4.34Å; Y398-K410 HydrophobicContact CD1-CG 4.05Å; Y398-K410 HydrophobicContact CE1-CD 4.31Å; Y398-K410 HydrophobicContact CE1-CG 4.42Å; Y398-L415 HydrophobicContact CE2-CD1 4.38Å
399	M	93.8	Very high	89.3	Confident	3 Å²	3	22.6 Å²	22.6	2%	0.015	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120.6	169	-61.8	176.9	70.5	0	0	108.9	V81 L92 T389 L397 V411 A412	V81-M399 HydrophobicContact CG2-CE 4.17Å; L92-M399 HydrophobicContact CD2-SD 3.55Å; L92-M399 VanDerWaalsContact CD2-SD 3.55Å; L92-M399 HydrophobicContact CG-SD 4.23Å; T389-M399 HydrophobicContact CG2-CG 3.83Å; L397-M399 HydrophobicContact CD2-CG 4.03Å; M399-V411 HydrophobicContact CB-CB 4.19Å; M399-V411 WeakPolarHBondContact O-CB 3.08Å; M399-V411 PolarHBondContact O-N 3.04Å; M399-A412 HydrophobicContact CB-CB 4.34Å; M399-A412 HydrophobicContact CG-CB 4.49Å; M399-A412 PolarHBondContact N-O 3.07Å; M399-A412 PolarHBondContact O-N 2.75Å; M399-A412 HydrophobicContact SD-CB 4.04Å
400	W	91.6	Very high	88.9	Confident	4 Å²	4	22.9 Å²	22.9	2%	0.015	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	132.9	-175.4	-53.9	103.4	0	0	0	111.4	P330 M348 Q387 L388 Y392 Y398 V402 V408 G409 K410 L902	P330-W400 HydrophobicContact CB-CH2 4.44Å; M348-W400 HydrophobicContact CE-CH2 3.69Å; M348-W400 HydrophobicContact CE-CZ3 4.13Å; Q387-W400 CarbonylContact C-O 3.59Å; Q387-W400 VanDerWaalsContact CA-O 3.3Å; Q387-W400 WeakPolarHBondContact CA-O 3.35Å; L388-W400 HydrophobicContact CB-CB 4.44Å; L388-W400 PolarHBondContact N-O 2.84Å; L388-W400 PolarHBondContact O-N 3.4Å; Y392-W400 PolarHBondContact OH-NE1 2.9Å; Y398-W400 AromaticContact CD1-CH2 3.69Å; Y398-W400 HydrophobicContact CD1-CH2 3.69Å; Y398-W400 AromaticContact CD1-CZ2 3.5Å; Y398-W400 HydrophobicContact CD1-CZ2 3.5Å; Y398-W400 VanDerWaalsContact CD1-CZ2 3.5Å; Y398-W400 HydrophobicContact CD1-CZ3 4.35Å; Y398-W400 HydrophobicContact CE1-CH2 4.11Å; Y398-W400 HydrophobicContact CE1-CZ2 4.22Å; Y398-W400 HydrophobicContact CG-CH2 4.43Å; Y398-W400 AromaticContact CG-CZ2 3.79Å; Y398-W400 HydrophobicContact CG-CZ2 3.79Å; W400-V402 HydrophobicContact CB-CG1 3.91Å; W400-V408 HydrophobicContact CB-CG1 4.31Å; W400-V408 HydrophobicContact CD2-CG1 4.48Å; W400-V408 HydrophobicContact CE3-CG1 3.97Å; W400-G409 CarbonylContact C-O 3.53Å; W400-G409 VanDerWaalsContact CA-O 3.29Å; W400-G409 WeakPolarHBondContact CA-O 3.33Å; W400-K410 HydrophobicContact CE3-CB 4.24Å; W400-K410 HydrophobicContact CE3-CG 4.33Å; W400-K410 HydrophobicContact CZ3-CB 4.07Å; W400-K410 HydrophobicContact CZ3-CG 4.1Å; W400-L902 HydrophobicContact CH2-CD1 4.42Å; W400-L902 HydrophobicContact CZ3-CD1 3.79Å
401	D	88.9	Confident	88.6	Confident	21 Å²	21	23.4 Å²	23.4	11%	0.112	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	118.1	159	174.7	14.7	0	0	0	108.2	A403 V408 G409 V411 V899 Y901	D401-A403 WeakPolarHBondContact OD1-CB 3.38Å; D401-A403 PolarHBondContact OD1-N 2.51Å; D401-V408 WeakPolarHBondContact O-CA 3.35Å; D401-G409 PolarHBondContact N-O 2.73Å; D401-G409 PolarHBondContact O-N 3.05Å; D401-V411 HydrophobicContact CB-CG2 4.01Å; D401-V899 HydrophobicContact CB-CG1 4.27Å; D401-Y901 PolarHBondContact OD2-OH 3.17Å
402	V	87.2	Confident	88.3	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.006	12%	0.121	C	C	.	.			trans	-121.1	25.5	179.5	-55.1	0	0	0	0	111.5	F307 L329 F386 L388 W400 D404 F405 V408	F307-V402 HydrophobicContact CE1-CG2 4.25Å; F307-V402 HydrophobicContact CZ-CG2 4.38Å; L329-V402 HydrophobicContact CD1-CG1 3.84Å; L329-V402 HydrophobicContact CD2-CG1 4.47Å; F386-V402 HydrophobicContact CB-CG2 3.53Å; F386-V402 PolarHBondContact O-N 3.15Å; L388-V402 HydrophobicContact CB-CG1 4.24Å; L388-V402 HydrophobicContact CB-CG2 4.11Å; L388-V402 HydrophobicContact CD2-CG1 4.45Å; W400-V402 HydrophobicContact CB-CG1 3.91Å; V402-D404 PolarHBondContact O-N 2.89Å; V402-F405 HydrophobicContact CB-CD1 4.37Å; V402-F405 HydrophobicContact CB-CE1 4.34Å; V402-F405 HydrophobicContact CG2-CE1 4.45Å; V402-V408 HydrophobicContact CG1-CG1 4.11Å; V402-V408 HydrophobicContact CG1-CG2 4.41Å
403	A	81.3	Confident	88.2	Confident	24 Å²	24	24.8 Å²	24.8	20%	0.198	13%	0.125	C	C	.	.	S	Bend	trans	-63.2	-16.2	175.7	0	0	0	0	0	114.3	L384 D401	L384-A403 WeakPolarHBondContact O-CB 3.16Å; D401-A403 WeakPolarHBondContact OD1-CB 3.38Å; D401-A403 PolarHBondContact OD1-N 2.51Å
404	D	79.6	Confident	88.3	Confident	60 Å²	60	25.1 Å²	25.1	32%	0.321	13%	0.126	S	C	.	.	S	Bend	trans	-138.8	119.6	160	-177.9	-4.9	0	0	0	108.9	V402 K406 Q407	V402-D404 PolarHBondContact O-N 2.89Å; D404-K406 PolarHBondContact O-N 2.8Å; D404-K406 WeakPolarHBondContact OD1-CB 3.29Å; D404-K406 PolarHBondContact OD1-N 3.08Å; D404-Q407 HydrophobicContact CB-CB 4.43Å; D404-Q407 CarbonylContact O-C 3.47Å; D404-Q407 VanDerWaalsContact O-C 3.23Å; D404-Q407 PolarHBondContact O-N 2.71Å
405	F	80.9	Confident	88.4	Confident	63 Å²	63	24.8 Å²	24.8	28%	0.276	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-12.4	178.5	-54.9	-48.1	0	0	0	113.8	F307 V317 I326 A327 L329 V402	F307-F405 HydrophobicContact CE1-CE1 4.02Å; F307-F405 HydrophobicContact CZ-CE1 4.07Å; F307-F405 HydrophobicContact CZ-CZ 4.28Å; V317-F405 HydrophobicContact CG1-CE1 4.39Å; V317-F405 HydrophobicContact CG1-CE2 4.47Å; V317-F405 HydrophobicContact CG1-CZ 4.08Å; I326-F405 HydrophobicContact CG2-CD2 3.82Å; I326-F405 HydrophobicContact CG2-CE2 3.93Å; A327-F405 HydrophobicContact CB-CB 4.18Å; L329-F405 HydrophobicContact CD2-CD1 4.11Å; V402-F405 HydrophobicContact CB-CD1 4.37Å; V402-F405 HydrophobicContact CB-CE1 4.34Å; V402-F405 HydrophobicContact CG2-CE1 4.45Å
406	K	76.4	Confident	88.5	Confident	166 Å²	166	24.8 Å²	24.8	72%	0.722	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-11.3	173.8	-59.1	-177.2	179.1	-175.4	0	114	D404	D404-K406 PolarHBondContact O-N 2.8Å; D404-K406 WeakPolarHBondContact OD1-CB 3.29Å; D404-K406 PolarHBondContact OD1-N 3.08Å
407	Q	79.1	Confident	88.5	Confident	109 Å²	109	24.9 Å²	24.9	51%	0.509	13%	0.125	S	C	.	.	S	Bend	trans	-140.4	67.1	-178.8	-63.3	-171.5	4.3	0	0	108.7	D404 Y901	D404-Q407 HydrophobicContact CB-CB 4.43Å; D404-Q407 CarbonylContact O-C 3.47Å; D404-Q407 VanDerWaalsContact O-C 3.23Å; D404-Q407 PolarHBondContact O-N 2.71Å; Q407-Y901 HydrophobicContact CB-CD1 4.33Å; Q407-Y901 VanDerWaalsContact O-CD1 3.26Å; Q407-Y901 WeakPolarHBondContact O-CD1 3.03Å; Q407-Y901 WeakPolarHBondContact O-CE1 3.34Å
408	V	84.8	Confident	88.3	Confident	5 Å²	5	25.4 Å²	25.4	3%	0.03	13%	0.129	C	C	.	.			trans	-73	127.8	176.4	177	0	0	0	0	109.3	L329 P330 W400 D401 V402 L902	L329-V408 HydrophobicContact CD2-CG2 3.99Å; P330-V408 HydrophobicContact CG-CB 3.97Å; P330-V408 HydrophobicContact CG-CG1 4.1Å; P330-V408 HydrophobicContact CG-CG2 4.44Å; W400-V408 HydrophobicContact CB-CG1 4.31Å; W400-V408 HydrophobicContact CD2-CG1 4.48Å; W400-V408 HydrophobicContact CE3-CG1 3.97Å; D401-V408 WeakPolarHBondContact O-CA 3.35Å; V402-V408 HydrophobicContact CG1-CG1 4.11Å; V402-V408 HydrophobicContact CG1-CG2 4.41Å; V408-L902 PolarHBondContact O-N 3.46Å
409	G	84.6	Confident	88	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	138.8	179.6	0	0	0	0	0	112.4	W400 D401 F900	W400-G409 CarbonylContact C-O 3.53Å; W400-G409 VanDerWaalsContact CA-O 3.29Å; W400-G409 WeakPolarHBondContact CA-O 3.33Å; D401-G409 PolarHBondContact N-O 2.73Å; D401-G409 PolarHBondContact O-N 3.05Å; G409-F900 WeakPolarHBondContact CA-O 3.1Å
410	K	89.6	Confident	88	Confident	9 Å²	9	27.1 Å²	27.1	4%	0.039	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	115.9	167.3	-160.8	-140.3	76.1	162.1	0	108.9	Y398 W400 S413 I480 V899 F900	Y398-K410 HydrophobicContact CD1-CD 4.34Å; Y398-K410 HydrophobicContact CD1-CG 4.05Å; Y398-K410 HydrophobicContact CE1-CD 4.31Å; Y398-K410 HydrophobicContact CE1-CG 4.42Å; W400-K410 HydrophobicContact CE3-CB 4.24Å; W400-K410 HydrophobicContact CE3-CG 4.33Å; W400-K410 HydrophobicContact CZ3-CB 4.07Å; W400-K410 HydrophobicContact CZ3-CG 4.1Å; K410-S413 WeakPolarHBondContact CD-OG 3.24Å; K410-S413 WeakPolarHBondContact CE-OG 3.04Å; K410-S413 PolarHBondContact NZ-OG 2.83Å; K410-I480 PolarHBondContact NZ-O 3.5Å; K410-V899 WeakPolarHBondContact O-CA 3.34Å; K410-F900 HydrophobicContact CB-CB 4.38Å; K410-F900 PolarHBondContact N-O 2.87Å; K410-F900 PolarHBondContact O-N 3.32Å
411	V	88.2	Confident	88.2	Confident	12 Å²	12	27 Å²	27	7%	0.073	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-59.2	177.4	-178.7	0	0	0	0	109.6	M399 D401 V899	M399-V411 HydrophobicContact CB-CB 4.19Å; M399-V411 WeakPolarHBondContact O-CB 3.08Å; M399-V411 PolarHBondContact O-N 3.04Å; D401-V411 HydrophobicContact CB-CG2 4.01Å; V411-V899 HydrophobicContact CG2-CG1 4.46Å; V411-V899 HydrophobicContact CG2-CG2 4.26Å
412	A	90.6	Very high	88.5	Confident	17 Å²	17	26.6 Å²	26.6	14%	0.14	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	159.4	-177.9	0	0	0	0	0	110.6	M399	M399-A412 HydrophobicContact CB-CB 4.34Å; M399-A412 HydrophobicContact CG-CB 4.49Å; M399-A412 PolarHBondContact N-O 3.07Å; M399-A412 PolarHBondContact O-N 2.75Å; M399-A412 HydrophobicContact SD-CB 4.04Å
413	S	93.3	Very high	88.9	Confident	13 Å²	13	27.4 Å²	27.4	9%	0.091	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	144.3	179.2	46	0	0	0	0	112.2	L397 K410 Y481	L397-S413 CarbonylContact O-C 3.56Å; L397-S413 WeakPolarHBondContact O-CA 3.49Å; L397-S413 WeakPolarHBondContact O-CB 3.21Å; K410-S413 WeakPolarHBondContact CD-OG 3.24Å; K410-S413 WeakPolarHBondContact CE-OG 3.04Å; K410-S413 PolarHBondContact NZ-OG 2.83Å; S413-Y481 PolarHBondContact OG-O 3.09Å
414	L	93.2	Very high	89.7	Confident	11 Å²	11	26.7 Å²	26.7	6%	0.058	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	128	179.2	166.7	65.2	0	0	0	108.1	I62 S396 L397 A416	I62-L414 HydrophobicContact CB-CD1 4.48Å; I62-L414 HydrophobicContact CG2-CD1 3.74Å; S396-L414 CarbonylContact C-O 3.37Å; S396-L414 WeakPolarHBondContact CA-O 3.39Å; S396-L414 WeakPolarHBondContact CB-O 3.49Å; L397-L414 HydrophobicContact CB-CB 4.41Å; L397-L414 PolarHBondContact N-O 3.1Å; L397-L414 PolarHBondContact O-N 2.91Å; L414-A416 HydrophobicContact CD1-CB 4.42Å; L414-A416 HydrophobicContact CG-CB 4.3Å
415	L	94.9	Very high	90.4	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	78.2	177.6	-81.1	69.6	0	0	0	109	V339 Y398 R456 W458 L485	V339-L415 HydrophobicContact CG2-CD2 3.98Å; Y398-L415 HydrophobicContact CE2-CD1 4.38Å; L415-R456 PolarHBondContact O-NH1 3.01Å; L415-W458 WeakPolarHBondContact O-CH2 3.41Å; L415-L485 HydrophobicContact CB-CD2 3.75Å; L415-L485 HydrophobicContact CD2-CD2 4.31Å
416	A	94.5	Very high	90.8	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.008	12%	0.119	C	C	.	.			trans	-81	168.8	-175.7	0	0	0	0	0	113.2	H395 L414 R456	H395-A416 HydrophobicContact CB-CB 4.4Å; L414-A416 HydrophobicContact CD1-CB 4.42Å; L414-A416 HydrophobicContact CG-CB 4.3Å; A416-R456 VanDerWaalsContact O-CZ 3.31Å; A416-R456 PolarHBondContact O-NH1 2.91Å; A416-R456 PolarHBondContact O-NH2 2.91Å
417	H	94.7	Very high	90.6	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	9%	0.086	C	C	.	.			trans	-67.4	142.3	170.1	-83.4	-71.9	0	0	0	110.8	H395 I421 T448 S450 D452 T454 R456 S765	H395-H417 WeakPolarHBondContact CB-O 3.38Å; H395-H417 PolarHBondContact ND1-O 2.68Å; H417-I421 HydrophobicContact CB-CD1 4.13Å; H417-I421 HydrophobicContact CB-CG1 4Å; H417-T448 PolarHBondContact NE2-OG1 2.88Å; H417-S450 VanDerWaalsContact CE1-CB 3.45Å; H417-S450 WeakPolarHBondContact CE1-CB 3.39Å; H417-S450 WeakPolarHBondContact ND1-CB 3.46Å; H417-D452 WeakPolarHBondContact CA-OD2 3.49Å; H417-D452 VanDerWaalsContact CB-OD2 3.27Å; H417-D452 WeakPolarHBondContact CB-OD2 3.22Å; H417-D452 IonicContact CE1-OD1 3.15Å; H417-D452 IonicContact CG-OD2 3.6Å; H417-D452 IonicContact ND1-OD1 3.79Å; H417-D452 PolarHBondContact ND1-OD1 3.09Å; H417-D452 IonicContact ND1-OD2 2.65Å; H417-D452 PolarHBondContact ND1-OD2 3.05Å; H417-T454 PolarHBondContact CE1-OG1 2.95Å; H417-T454 PolarHBondContact ND1-OG1 2.94Å; H417-R456 PolarHBondContact ND1-NE 2.93Å; H417-S765 WeakPolarHBondContact O-CB 3.32Å
418	S	92.1	Very high	90.1	Very high	13 Å²	13	13.2 Å²	13.2	9%	0.091	8%	0.079	C	C	.	.	S	Bend	trans	-89.8	-29.4	171.4	48.4	0	0	0	0	112.1	H395 D452 L498	H395-S418 PolarHBondContact CE1-O 3.36Å; H395-S418 WeakPolarHBondContact ND1-CA 3.16Å; S418-D452 PolarHBondContact N-OD2 3.17Å; S418-D452 WeakPolarHBondContact OG-CB 3.38Å; S418-L498 WeakPolarHBondContact CB-O 3.26Å; S418-L498 PolarHBondContact OG-O 2.84Å
419	G	89.5	Confident	88.6	Confident	12 Å²	12	14.9 Å²	14.9	12%	0.124	9%	0.09	C	C	.	.	S	Bend	trans	-93.3	167.7	179.9	0	0	0	0	0	114.6	I421 S450 D452 S765	G419-I421 PolarHBondContact O-N 3.15Å; G419-S450 VanDerWaalsContact C-OG 3.23Å; G419-S450 WeakPolarHBondContact CA-OG 3.47Å; G419-S450 PolarHBondContact O-OG 3.15Å; G419-D452 PolarHBondContact N-OD2 2.87Å; G419-S765 WeakPolarHBondContact O-CA 3.38Å; G419-S765 WeakPolarHBondContact O-CB 3.43Å
420	S	92.2	Very high	86.9	Confident	27 Å²	27	18.8 Å²	18.8	19%	0.189	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-58	127.7	166.4	-64.1	0	0	0	0	110.7	W422 S450 T451 G763	S420-W422 PolarHBondContact O-NE1 3.35Å; S420-W422 VanDerWaalsContact O-NE1 3.09Å; S420-S450 WeakPolarHBondContact O-CA 3.29Å; S420-S450 PolarHBondContact O-OG 2.89Å; S420-T451 PolarHBondContact N-OG1 3Å; S420-T451 VanDerWaalsContact N-OG1 3.13Å; S420-T451 PolarHBondContact O-N 2.98Å; S420-T451 PolarHBondContact O-OG1 3.1Å; S420-G763 WeakPolarHBondContact CB-O 3.43Å; S420-G763 PolarHBondContact OG-O 2.75Å
421	I	96.1	Very high	84.7	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	138.6	175.8	-50.6	175.9	0	0	0	108.5	H417 G419 T448 C449 T747 V761 S762 I767	H417-I421 HydrophobicContact CB-CD1 4.13Å; H417-I421 HydrophobicContact CB-CG1 4Å; G419-I421 PolarHBondContact O-N 3.15Å; I421-T448 HydrophobicContact CG2-CG2 4.47Å; I421-C449 CarbonylContact C-O 3.59Å; I421-C449 WeakPolarHBondContact CA-O 3.46Å; I421-C449 VanDerWaalsContact CG2-O 3.27Å; I421-C449 WeakPolarHBondContact CG2-O 3.49Å; I421-T747 WeakPolarHBondContact O-CB 3.46Å; I421-T747 PolarHBondContact O-OG1 2.96Å; I421-V761 HydrophobicContact CB-CB 4.08Å; I421-V761 HydrophobicContact CB-CG2 4.48Å; I421-V761 HydrophobicContact CD1-CB 4.49Å; I421-V761 HydrophobicContact CG2-CB 3.69Å; I421-V761 HydrophobicContact CG2-CG1 4.09Å; I421-V761 HydrophobicContact CG2-CG2 3.87Å; I421-S762 PolarHBondContact N-O 3.18Å; I421-I767 HydrophobicContact CD1-CD1 4.14Å; I421-I767 HydrophobicContact CD1-CG1 3.43Å; I421-I767 VanDerWaalsContact CD1-CG1 3.43Å
422	W	95.1	Very high	82.4	Confident	13 Å²	13	31.4 Å²	31.4	5%	0.049	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	-24.8	-170.4	-72.4	97.5	0	0	0	115.7	S420 C449 R523 T747 T1014	S420-W422 PolarHBondContact O-NE1 3.35Å; S420-W422 VanDerWaalsContact O-NE1 3.09Å; W422-C449 PolarHBondContact N-O 2.91Å; W422-R523 WeakPolarHBondContact CB-O 3.39Å; W422-R523 PolarHBondContact O-NH1 2.95Å; W422-T747 HydrophobicContact CE3-CG2 4.26Å; W422-T1014 HydrophobicContact CE3-CG2 4.5Å; W422-T1014 HydrophobicContact CH2-CG2 3.43Å; W422-T1014 VanDerWaalsContact CH2-CG2 3.43Å; W422-T1014 HydrophobicContact CZ2-CG2 4.33Å; W422-T1014 HydrophobicContact CZ3-CG2 3.52Å
423	A	96.3	Very high	79.8	Confident	18 Å²	18	35 Å²	35	15%	0.149	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	160	175.4	0	0	0	0	0	111.1	T448 C449 I525	A423-T448 WeakPolarHBondContact O-CA 3.32Å; A423-C449 PolarHBondContact O-N 3.23Å; A423-I525 HydrophobicContact CB-CG1 3.8Å
424	V	97.3	Very high	77	Confident	10 Å²	10	41.5 Å²	41.5	6%	0.061	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	139.6	174.1	55	0	0	0	0	108.4	F446 V447 T448 K750 V759 V761	V424-F446 HydrophobicContact CG2-CD2 3.96Å; V424-V447 VanDerWaalsContact CA-O 3.25Å; V424-V447 WeakPolarHBondContact CA-O 3.47Å; V424-T448 HydrophobicContact CB-CG2 4.14Å; V424-T448 HydrophobicContact CG2-CG2 3.99Å; V424-K750 HydrophobicContact CB-CG 4.5Å; V424-K750 HydrophobicContact CG1-CB 4.35Å; V424-K750 HydrophobicContact CG1-CG 3.95Å; V424-K750 HydrophobicContact CG2-CB 4.43Å; V424-K750 HydrophobicContact CG2-CG 4.23Å; V424-K750 VanDerWaalsContact O-CG 3.31Å; V424-K750 WeakPolarHBondContact O-CG 3.14Å; V424-V759 HydrophobicContact CG2-CG1 4.11Å; V424-V761 HydrophobicContact CB-CG1 3.9Å; V424-V761 HydrophobicContact CB-CG2 4.05Å; V424-V761 HydrophobicContact CG1-CG1 4.07Å; V424-V761 HydrophobicContact CG1-CG2 3.76Å; V424-V761 HydrophobicContact CG2-CG1 4.37Å
425	D	95.2	Very high	74.2	Confident	12 Å²	12	49.2 Å²	49.2	6%	0.064	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	164.1	176.5	-154.1	26	0	0	0	111	F446 V447 K526 V527 K750	D425-F446 CarbonylContact O-C 3.59Å; D425-F446 WeakPolarHBondContact O-CA 3.27Å; D425-F446 WeakPolarHBondContact O-CB 3.27Å; D425-V447 PolarHBondContact N-O 3.41Å; D425-V447 PolarHBondContact O-N 2.75Å; D425-K526 WeakPolarHBondContact OD2-CA 3.37Å; D425-K526 WeakPolarHBondContact OD2-CD 3.25Å; D425-V527 HydrophobicContact CB-CG2 4.46Å; D425-V527 PolarHBondContact OD2-N 3.01Å; D425-K750 IonicContact OD1-NZ 3.96Å
426	T	89	Confident	71.3	Confident	16 Å²	16	54.7 Å²	54.7	10%	0.098	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	138.4	-168.3	50.6	0	0	0	0	113.1	F446 K750 L752 Y753	T426-F446 HydrophobicContact CG2-CB 4.46Å; T426-K750 HydrophobicContact CG2-CB 3.96Å; T426-K750 HydrophobicContact CG2-CD 4.17Å; T426-K750 HydrophobicContact CG2-CG 4.19Å; T426-L752 HydrophobicContact CG2-CD2 3.63Å; T426-Y753 WeakPolarHBondContact OG1-CE2 3.39Å
427	C	73.1	Confident	68.5	Low	2 Å²	2	58.5 Å²	58.5	1%	0.014	33%	0.328	C	S	.	.			trans	-93.8	98.4	178.4	-61.3	0	0	0	0	111.1	I441 T445	C427-I441 HydrophobicContact CB-CD1 4.37Å; C427-I441 HydrophobicContact CB-CG2 3.77Å; C427-T445 HydrophobicContact CB-CG2 4.07Å; C427-T445 PolarHBondContact N-O 2.94Å; C427-T445 VanDerWaalsContact N-O 3.15Å
428	F	67.9	Low	65.9	Low	84 Å²	84	64.8 Å²	64.8	37%	0.368	37%	0.366	S	S	.	.			trans	-151.2	127.4	167.8	-165.5	-95.5	0	0	0	112.8	V430 P443 C531 Y753	F428-V430 PolarHBondContact O-N 3.28Å; F428-P443 HydrophobicContact CD2-CB 4.46Å; F428-P443 HydrophobicContact CE2-CB 4.45Å; F428-C531 PolarHBondContact N-SG 3.36Å; F428-C531 VanDerWaalsContact N-SG 3.41Å; F428-Y753 HydrophobicContact CB-CD2 3.43Å; F428-Y753 VanDerWaalsContact CB-CD2 3.43Å; F428-Y753 HydrophobicContact CB-CE2 3.86Å; F428-Y753 HydrophobicContact CB-CG 3.97Å; F428-Y753 HydrophobicContact CD1-CG 4.32Å; F428-Y753 HydrophobicContact CG-CD2 4.14Å; F428-Y753 HydrophobicContact CG-CG 4.18Å
429	P	53	Low	63.9	Low	40 Å²	40	66.5 Å²	66.5	26%	0.26	38%	0.378	S	S	.	.			trans	-75.6	125.7	-178.3	29.4	-33.9	0	0	0	111.8	N431	P429-N431 VanDerWaalsContact C-N 3.32Å; P429-N431 PolarHBondContact O-N 3.21Å
430	V	50.3	Low	62.4	Low	83 Å²	83	71.3 Å²	71.3	50%	0.503	40%	0.401	S	S	.	.			trans	-83.3	-10.1	-177	-177.3	0	0	0	0	112.6	F428 K432 P529	F428-V430 PolarHBondContact O-N 3.28Å; V430-K432 PolarHBondContact O-N 3.1Å; V430-P529 PolarHBondContact N-O 3.26Å
431	N	41.4	Very low	61.2	Low	101 Å²	101	71.1 Å²	71.1	54%	0.54	40%	0.397	S	S	.	.			trans	-73.2	92.7	-170.6	-79.1	-18.3	0	0	0	114.3	P429 S433	P429-N431 VanDerWaalsContact C-N 3.32Å; P429-N431 PolarHBondContact O-N 3.21Å; N431-S433 PolarHBondContact O-N 2.56Å
432	K	40.3	Very low	59.9	Low	185 Å²	185	71.6 Å²	71.6	80%	0.804	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-3.2	174.5	-62.8	172.1	-176.9	172.6	0	115.2	V430	V430-K432 PolarHBondContact O-N 3.1Å
433	S	36	Very low	58.5	Low	91 Å²	91	73.9 Å²	73.9	64%	0.636	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-32.7	-168.6	44.1	0	0	0	0	114.8	N431	N431-S433 PolarHBondContact O-N 2.56Å
434	E	34.7	Very low	57.7	Low	150 Å²	150	73 Å²	73	70%	0.701	41%	0.409	S	S	*	.			trans	-110.8	95.6	-169.2	-61.8	-156	161	0	0	112.6	S436	E434-S436 PolarHBondContact O-N 3.18Å
435	K	33.7	Very low	57.1	Low	174 Å²	174	72.6 Å²	72.6	76%	0.757	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	15.8	-178.9	-59.6	-175.3	177.6	-176.5	0	115.1	L800	K435-L800 HydrophobicContact CD-CD2 4.44Å
436	S	34.3	Very low	57	Low	116 Å²	116	72 Å²	72	81%	0.811	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.3	-9.9	-168.7	-161.2	0	0	0	0	114.9	E434	E434-S436 PolarHBondContact O-N 3.18Å
437	A	35.6	Very low	57.3	Low	80 Å²	80	71.3 Å²	71.3	66%	0.661	40%	0.399	S	S	*	.			trans	-96.9	94.8	172.6	0	0	0	0	0	109.4	S439	A437-S439 PolarHBondContact O-N 3.39Å
438	V	41.4	Very low	58.5	Low	134 Å²	134	71.2 Å²	71.2	81%	0.812	40%	0.399	S	S	*	.			trans	-69.7	110.7	163.5	178.3	0	0	0	0	106.4	L440	V438-L440 PolarHBondContact O-N 3.45Å
439	S	49.3	Very low	59.9	Low	49 Å²	49	67.2 Å²	67.2	34%	0.343	38%	0.381	S	S	.	.			trans	-60.8	125.3	177.5	-167.6	0	0	0	0	109.4	A437 I441	A437-S439 PolarHBondContact O-N 3.39Å; S439-I441 PolarHBondContact O-N 2.89Å; S439-I441 VanDerWaalsContact O-N 3.16Å
440	L	57.5	Low	61.9	Low	113 Å²	113	65.3 Å²	65.3	59%	0.592	37%	0.369	S	S	*	.	S	Bend	trans	-75.7	8.5	178.6	-67.8	173.1	0	0	0	112.8	V438 C476	V438-L440 PolarHBondContact O-N 3.45Å; L440-C476 WeakPolarHBondContact O-CB 3.26Å
441	I	67.5	Low	63.9	Low	23 Å²	23	62.9 Å²	62.9	12%	0.118	35%	0.354	C	S	.	.	S	Bend	trans	-116.9	125.4	-173.6	-56.4	178.4	0	0	0	109	C427 S439 T445 M548	C427-I441 HydrophobicContact CB-CD1 4.37Å; C427-I441 HydrophobicContact CB-CG2 3.77Å; S439-I441 PolarHBondContact O-N 2.89Å; S439-I441 VanDerWaalsContact O-N 3.16Å; I441-T445 HydrophobicContact CG2-CG2 3.55Å; I441-M548 HydrophobicContact CD1-CE 3.71Å
442	P	68.6	Low	66.2	Low	9 Å²	9	58.2 Å²	58.2	6%	0.058	33%	0.329	C	S	.	.			trans	-57.7	148.3	175.5	-26.6	35.3	0	0	0	113.8	G444 T445 D461 A464	P442-G444 VanDerWaalsContact C-N 3.27Å; P442-G444 PolarHBondContact O-N 2.92Å; P442-T445 VanDerWaalsContact O-CB 3.24Å; P442-T445 WeakPolarHBondContact O-CB 3.45Å; P442-T445 PolarHBondContact O-N 3.47Å; P442-T445 PolarHBondContact O-OG1 3.5Å; P442-D461 HydrophobicContact CB-CB 4.37Å; P442-A464 HydrophobicContact CB-CB 4.35Å; P442-A464 HydrophobicContact CG-CB 4.47Å
443	P	66.6	Low	68.7	Low	61 Å²	61	49.9 Å²	49.9	40%	0.396	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-24.3	-178	29	-35	0	0	0	113.4	F428 T445	F428-P443 HydrophobicContact CD2-CB 4.46Å; F428-P443 HydrophobicContact CE2-CB 4.45Å; P443-T445 PolarHBondContact O-N 2.87Å
444	G	78.2	Confident	71.5	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	11.5	170	0	0	0	0	0	115	P442 V460 D461	P442-G444 VanDerWaalsContact C-N 3.27Å; P442-G444 PolarHBondContact O-N 2.92Å; G444-V460 PolarHBondContact O-N 2.77Å; G444-D461 WeakPolarHBondContact CA-OD2 3.37Å; G444-D461 PolarHBondContact N-OD2 3.13Å
445	T	86.6	Confident	74.5	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.012	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	131.2	-179.1	-69	0	0	0	0	113.8	C427 I441 P442 P443 I457 W458 M486	C427-T445 HydrophobicContact CB-CG2 4.07Å; C427-T445 PolarHBondContact N-O 2.94Å; C427-T445 VanDerWaalsContact N-O 3.15Å; I441-T445 HydrophobicContact CG2-CG2 3.55Å; P442-T445 VanDerWaalsContact O-CB 3.24Å; P442-T445 WeakPolarHBondContact O-CB 3.45Å; P442-T445 PolarHBondContact O-N 3.47Å; P442-T445 PolarHBondContact O-OG1 3.5Å; P443-T445 PolarHBondContact O-N 2.87Å; T445-I457 HydrophobicContact CG2-CG2 3.7Å; T445-W458 CarbonylContact C-O 3.5Å; T445-W458 WeakPolarHBondContact CA-O 3.49Å; T445-W458 WeakPolarHBondContact CG2-O 3.42Å; T445-M486 HydrophobicContact CG2-SD 4.26Å
446	F	92.9	Very high	77.4	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	159.8	176.5	65.9	-88.9	0	0	0	112	V424 D425 T426 T448 W458 V460 L752 V759 I767	V424-F446 HydrophobicContact CG2-CD2 3.96Å; D425-F446 CarbonylContact O-C 3.59Å; D425-F446 WeakPolarHBondContact O-CA 3.27Å; D425-F446 WeakPolarHBondContact O-CB 3.27Å; T426-F446 HydrophobicContact CG2-CB 4.46Å; F446-T448 HydrophobicContact CD2-CG2 4.08Å; F446-T448 HydrophobicContact CE2-CG2 4.07Å; F446-W458 HydrophobicContact CD1-CB 4.24Å; F446-W458 HydrophobicContact CD2-CB 4.23Å; F446-W458 AromaticContact CD2-CD1 3.77Å; F446-W458 HydrophobicContact CD2-CG 4.29Å; F446-W458 HydrophobicContact CE1-CB 3.78Å; F446-W458 HydrophobicContact CE2-CB 3.77Å; F446-W458 AromaticContact CE2-CD1 3.4Å; F446-W458 VanDerWaalsContact CE2-CD1 3.4Å; F446-W458 AromaticContact CE2-CG 3.68Å; F446-W458 HydrophobicContact CE2-CG 3.68Å; F446-W458 HydrophobicContact CG-CB 4.45Å; F446-W458 HydrophobicContact CZ-CB 3.53Å; F446-W458 AromaticContact CZ-CG 3.84Å; F446-W458 HydrophobicContact CZ-CG 3.84Å; F446-W458 PolarHBondContact N-O 3.28Å; F446-W458 PolarHBondContact O-N 3.15Å; F446-V460 HydrophobicContact CD1-CG2 4.38Å; F446-V460 HydrophobicContact CE1-CG2 3.87Å; F446-L752 HydrophobicContact CB-CD2 4.21Å; F446-L752 HydrophobicContact CD1-CD1 4.43Å; F446-L752 HydrophobicContact CD1-CD2 4.35Å; F446-V759 HydrophobicContact CD1-CG2 4.12Å; F446-V759 HydrophobicContact CD2-CG1 4.13Å; F446-V759 HydrophobicContact CE1-CG2 4.09Å; F446-V759 HydrophobicContact CE2-CG1 3.91Å; F446-V759 HydrophobicContact CG-CG2 4.45Å; F446-V759 HydrophobicContact CZ-CG1 4.19Å; F446-V759 HydrophobicContact CZ-CG2 4.39Å; F446-I767 HydrophobicContact CE2-CD1 4.37Å; F446-I767 HydrophobicContact CE2-CG2 4.04Å; F446-I767 HydrophobicContact CZ-CG2 4.19Å
447	V	95.4	Very high	80.2	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	139.8	-175.2	-171.5	0	0	0	0	109.6	V424 D425 I455 R456 I457 I525 V527 L534	V424-V447 VanDerWaalsContact CA-O 3.25Å; V424-V447 WeakPolarHBondContact CA-O 3.47Å; D425-V447 PolarHBondContact N-O 3.41Å; D425-V447 PolarHBondContact O-N 2.75Å; V447-I455 HydrophobicContact CG1-CG2 3.45Å; V447-I455 VanDerWaalsContact CG1-CG2 3.45Å; V447-R456 CarbonylContact C-O 3.58Å; V447-R456 VanDerWaalsContact CA-O 3.31Å; V447-R456 WeakPolarHBondContact CA-O 3.49Å; V447-I457 HydrophobicContact CG1-CG1 4.28Å; V447-I457 HydrophobicContact CG2-CG1 4.15Å; V447-I457 HydrophobicContact CG2-CG2 4.49Å; V447-I525 HydrophobicContact CB-CD1 4.12Å; V447-I525 HydrophobicContact CG1-CD1 3.91Å; V447-I525 VanDerWaalsContact O-CD1 3.29Å; V447-I525 WeakPolarHBondContact O-CD1 3.36Å; V447-V527 HydrophobicContact CG2-CG2 4.22Å; V447-L534 HydrophobicContact CG1-CD1 4.41Å; V447-L534 HydrophobicContact CG1-CD2 4.21Å
448	T	97.8	Very high	82.9	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	153.2	176.2	58.5	0	0	0	0	112.1	H417 I421 A423 V424 F446 I455 R456 W458 V761 I767	H417-T448 PolarHBondContact NE2-OG1 2.88Å; I421-T448 HydrophobicContact CG2-CG2 4.47Å; A423-T448 WeakPolarHBondContact O-CA 3.32Å; V424-T448 HydrophobicContact CB-CG2 4.14Å; V424-T448 HydrophobicContact CG2-CG2 3.99Å; F446-T448 HydrophobicContact CD2-CG2 4.08Å; F446-T448 HydrophobicContact CE2-CG2 4.07Å; T448-I455 CarbonylContact O-C 3.57Å; T448-I455 VanDerWaalsContact O-CA 3.28Å; T448-I455 WeakPolarHBondContact O-CA 3.34Å; T448-I455 WeakPolarHBondContact O-CG2 3.31Å; T448-R456 PolarHBondContact N-O 3.47Å; T448-R456 PolarHBondContact O-N 2.93Å; T448-W458 PolarHBondContact OG1-NE1 2.9Å; T448-V761 HydrophobicContact CG2-CG1 3.98Å; T448-I767 HydrophobicContact CG2-CD1 3.87Å; T448-I767 HydrophobicContact CG2-CG1 4.41Å
449	C	96.9	Very high	85.1	Confident	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	150.4	173.9	76	0	0	0	0	113.3	I421 W422 A423 I455 V522 I525	I421-C449 CarbonylContact C-O 3.59Å; I421-C449 WeakPolarHBondContact CA-O 3.46Å; I421-C449 VanDerWaalsContact CG2-O 3.27Å; I421-C449 WeakPolarHBondContact CG2-O 3.49Å; W422-C449 PolarHBondContact N-O 2.91Å; A423-C449 PolarHBondContact O-N 3.23Å; C449-I455 HydrophobicContact CB-CG1 4.11Å; C449-V522 HydrophobicContact CB-CB 3.92Å; C449-V522 HydrophobicContact CB-CG1 3.61Å; C449-I525 HydrophobicContact CB-CD1 4.29Å; C449-I525 HydrophobicContact CB-CG1 4.3Å; C449-I525 HydrophobicContact CB-CG2 3.69Å
450	S	95.3	Very high	86.7	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	163.7	-165.1	174.8	0	0	0	0	113.8	H417 G419 S420 D452 D453 T454 V522	H417-S450 VanDerWaalsContact CE1-CB 3.45Å; H417-S450 WeakPolarHBondContact CE1-CB 3.39Å; H417-S450 WeakPolarHBondContact ND1-CB 3.46Å; G419-S450 VanDerWaalsContact C-OG 3.23Å; G419-S450 WeakPolarHBondContact CA-OG 3.47Å; G419-S450 PolarHBondContact O-OG 3.15Å; S420-S450 WeakPolarHBondContact O-CA 3.29Å; S420-S450 PolarHBondContact O-OG 2.89Å; S450-D452 WeakPolarHBondContact CB-OD1 3.37Å; S450-D452 WeakPolarHBondContact CB-OD2 3.36Å; S450-D452 PolarHBondContact O-N 3.16Å; S450-D452 PolarHBondContact OG-N 3.11Å; S450-D452 PolarHBondContact OG-OD1 2.95Å; S450-D452 PolarHBondContact OG-OD2 2.87Å; S450-D453 PolarHBondContact O-N 3.19Å; S450-T454 PolarHBondContact N-O 2.91Å; S450-V522 PolarHBondContact O-N 2.9Å; S450-V522 VanDerWaalsContact O-N 3.09Å
451	T	92.1	Very high	87.3	Confident	33 Å²	33	11.5 Å²	11.5	20%	0.202	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-1.6	167.2	36.3	0	0	0	0	115.2	S420 D453	S420-T451 PolarHBondContact N-OG1 3Å; S420-T451 VanDerWaalsContact N-OG1 3.13Å; S420-T451 PolarHBondContact O-N 2.98Å; S420-T451 PolarHBondContact O-OG1 3.1Å; T451-D453 PolarHBondContact O-N 3.22Å
452	D	90.4	Very high	87	Confident	2 Å²	2	12.2 Å²	12.2	1%	0.011	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	11.6	166.8	56.2	46.3	0	0	0	113.6	H417 S418 G419 S450 T454 C497 L498	H417-D452 WeakPolarHBondContact CA-OD2 3.49Å; H417-D452 VanDerWaalsContact CB-OD2 3.27Å; H417-D452 WeakPolarHBondContact CB-OD2 3.22Å; H417-D452 IonicContact CE1-OD1 3.15Å; H417-D452 IonicContact CG-OD2 3.6Å; H417-D452 IonicContact ND1-OD1 3.79Å; H417-D452 PolarHBondContact ND1-OD1 3.09Å; H417-D452 IonicContact ND1-OD2 2.65Å; H417-D452 PolarHBondContact ND1-OD2 3.05Å; S418-D452 PolarHBondContact N-OD2 3.17Å; S418-D452 WeakPolarHBondContact OG-CB 3.38Å; G419-D452 PolarHBondContact N-OD2 2.87Å; S450-D452 WeakPolarHBondContact CB-OD1 3.37Å; S450-D452 WeakPolarHBondContact CB-OD2 3.36Å; S450-D452 PolarHBondContact O-N 3.16Å; S450-D452 PolarHBondContact OG-N 3.11Å; S450-D452 PolarHBondContact OG-OD1 2.95Å; S450-D452 PolarHBondContact OG-OD2 2.87Å; D452-T454 PolarHBondContact O-N 3.21Å; D452-T454 WeakPolarHBondContact OD1-CB 3.45Å; D452-T454 PolarHBondContact OD1-N 3.26Å; D452-T454 VanDerWaalsContact OD1-N 3.08Å; D452-T454 PolarHBondContact OD1-OG1 2.94Å; D452-C497 WeakPolarHBondContact CA-O 3.29Å; D452-L498 HydrophobicContact CB-CD2 4.44Å
453	D	92.4	Very high	86.1	Confident	10 Å²	10	19.5 Å²	19.5	5%	0.053	11%	0.114	C	C	.	.	S	Bend	trans	54.1	29.4	-176.1	-75.1	-55.8	0	0	0	114.2	S450 T451 C491 D492 C497 S520 G521 V522	S450-D453 PolarHBondContact O-N 3.19Å; T451-D453 PolarHBondContact O-N 3.22Å; D453-C491 WeakPolarHBondContact O-CB 3.47Å; D453-C491 PolarHBondContact O-N 2.98Å; D453-D492 HydrophobicContact CB-CB 3.66Å; D453-C497 HydrophobicContact CB-CB 4.27Å; D453-C497 PolarHBondContact OD2-SG 2.82Å; D453-S520 WeakPolarHBondContact OD2-CB 3.31Å; D453-S520 PolarHBondContact OD2-OG 3.02Å; D453-G521 WeakPolarHBondContact OD1-CA 2.91Å; D453-G521 PolarHBondContact OD1-N 2.99Å; D453-G521 PolarHBondContact OD2-N 3.21Å; D453-G521 VanDerWaalsContact OD2-N 3.15Å; D453-V522 PolarHBondContact OD1-N 3.29Å
454	T	95.1	Very high	85.1	Confident	1 Å²	1	18.6 Å²	18.6	1%	0.006	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	149.9	166.7	69.2	0	0	0	0	114.5	H417 S450 D452 R456 I488 I489 Y490 L498	H417-T454 PolarHBondContact CE1-OG1 2.95Å; H417-T454 PolarHBondContact ND1-OG1 2.94Å; S450-T454 PolarHBondContact N-O 2.91Å; D452-T454 PolarHBondContact O-N 3.21Å; D452-T454 WeakPolarHBondContact OD1-CB 3.45Å; D452-T454 PolarHBondContact OD1-N 3.26Å; D452-T454 VanDerWaalsContact OD1-N 3.08Å; D452-T454 PolarHBondContact OD1-OG1 2.94Å; T454-R456 PolarHBondContact OG1-NE 3.13Å; T454-R456 PolarHBondContact OG1-NH2 3.21Å; T454-I488 HydrophobicContact CG2-CG2 3.76Å; T454-I489 VanDerWaalsContact CA-O 3.27Å; T454-I489 WeakPolarHBondContact CA-O 3.4Å; T454-I489 WeakPolarHBondContact CB-O 3.46Å; T454-Y490 HydrophobicContact CG2-CD1 3.55Å; T454-Y490 HydrophobicContact CG2-CE1 3.86Å; T454-Y490 HydrophobicContact CG2-CG 4.48Å; T454-L498 HydrophobicContact CG2-CD2 3.51Å
455	I	96.2	Very high	83.9	Confident	0 Å²	0	20 Å²	20	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132.6	161.7	-53.1	168.5	0	0	0	106.7	V447 T448 C449 I489 V522 I525 L534 S536 Y546	V447-I455 HydrophobicContact CG1-CG2 3.45Å; V447-I455 VanDerWaalsContact CG1-CG2 3.45Å; T448-I455 CarbonylContact O-C 3.57Å; T448-I455 VanDerWaalsContact O-CA 3.28Å; T448-I455 WeakPolarHBondContact O-CA 3.34Å; T448-I455 WeakPolarHBondContact O-CG2 3.31Å; C449-I455 HydrophobicContact CB-CG1 4.11Å; I455-I489 HydrophobicContact CB-CB 4.26Å; I455-I489 PolarHBondContact N-O 3.37Å; I455-I489 PolarHBondContact O-N 2.93Å; I455-V522 HydrophobicContact CD1-CG1 4.42Å; I455-V522 HydrophobicContact CG1-CG1 4.26Å; I455-V522 HydrophobicContact CG1-CG2 4.25Å; I455-I525 HydrophobicContact CD1-CG2 4.28Å; I455-I525 HydrophobicContact CG1-CG2 4.45Å; I455-I525 HydrophobicContact CG2-CG2 4.32Å; I455-L534 HydrophobicContact CG2-CD2 4.26Å; I455-S536 VanDerWaalsContact CD1-CB 3.45Å; I455-Y546 HydrophobicContact CD1-CE2 4.03Å
456	R	95.3	Very high	81.8	Confident	8 Å²	8	23.2 Å²	23.2	3%	0.03	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	139.9	-174.8	-61.2	-171	-167.9	-163.5	12.3	111.3	L415 A416 H417 V447 T448 T454 W458 L485 I488	L415-R456 PolarHBondContact O-NH1 3.01Å; A416-R456 VanDerWaalsContact O-CZ 3.31Å; A416-R456 PolarHBondContact O-NH1 2.91Å; A416-R456 PolarHBondContact O-NH2 2.91Å; H417-R456 PolarHBondContact ND1-NE 2.93Å; V447-R456 CarbonylContact C-O 3.58Å; V447-R456 VanDerWaalsContact CA-O 3.31Å; V447-R456 WeakPolarHBondContact CA-O 3.49Å; T448-R456 PolarHBondContact N-O 3.47Å; T448-R456 PolarHBondContact O-N 2.93Å; T454-R456 PolarHBondContact OG1-NE 3.13Å; T454-R456 PolarHBondContact OG1-NH2 3.21Å; R456-W458 HydrophobicContact CB-CZ2 3.72Å; R456-W458 HydrophobicContact CG-CZ2 4.36Å; R456-W458 PolarHBondContact O-NE1 3.08Å; R456-L485 HydrophobicContact CB-CD1 3.96Å; R456-L485 HydrophobicContact CG-CD1 4.44Å; R456-I488 HydrophobicContact CG-CB 4.5Å; R456-I488 HydrophobicContact CG-CG1 4.14Å; R456-I488 HydrophobicContact CG-CG2 4.16Å
457	I	93.1	Very high	79.4	Confident	3 Å²	3	28.6 Å²	28.6	2%	0.015	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.3	-179.4	-52.9	-175.1	0	0	0	108.7	T445 V447 M486 K487 L551	T445-I457 HydrophobicContact CG2-CG2 3.7Å; V447-I457 HydrophobicContact CG1-CG1 4.28Å; V447-I457 HydrophobicContact CG2-CG1 4.15Å; V447-I457 HydrophobicContact CG2-CG2 4.49Å; I457-M486 HydrophobicContact CG2-CB 4.45Å; I457-M486 HydrophobicContact CG2-SD 4.25Å; I457-M486 PolarHBondContact O-N 3.15Å; I457-K487 HydrophobicContact CB-CB 4.44Å; I457-K487 PolarHBondContact N-O 3.45Å; I457-K487 PolarHBondContact O-N 3.48Å; I457-L551 HydrophobicContact CD1-CD1 3.48Å; I457-L551 VanDerWaalsContact CD1-CD1 3.48Å; I457-L551 HydrophobicContact CD1-CD2 3.88Å; I457-L551 HydrophobicContact CD1-CG 4.36Å
458	W	92.4	Very high	77	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	155.5	-172.3	-46.5	88.6	0	0	0	110.4	I62 L415 T445 F446 T448 R456 E484 L485 I767	I62-W458 HydrophobicContact CD1-CE3 4.37Å; I62-W458 HydrophobicContact CG2-CE3 3.96Å; I62-W458 HydrophobicContact CG2-CH2 3.67Å; I62-W458 HydrophobicContact CG2-CZ2 4.42Å; I62-W458 HydrophobicContact CG2-CZ3 3.41Å; I62-W458 VanDerWaalsContact CG2-CZ3 3.41Å; L415-W458 WeakPolarHBondContact O-CH2 3.41Å; T445-W458 CarbonylContact C-O 3.5Å; T445-W458 WeakPolarHBondContact CA-O 3.49Å; T445-W458 WeakPolarHBondContact CG2-O 3.42Å; F446-W458 HydrophobicContact CD1-CB 4.24Å; F446-W458 HydrophobicContact CD2-CB 4.23Å; F446-W458 AromaticContact CD2-CD1 3.77Å; F446-W458 HydrophobicContact CD2-CG 4.29Å; F446-W458 HydrophobicContact CE1-CB 3.78Å; F446-W458 HydrophobicContact CE2-CB 3.77Å; F446-W458 AromaticContact CE2-CD1 3.4Å; F446-W458 VanDerWaalsContact CE2-CD1 3.4Å; F446-W458 AromaticContact CE2-CG 3.68Å; F446-W458 HydrophobicContact CE2-CG 3.68Å; F446-W458 HydrophobicContact CG-CB 4.45Å; F446-W458 HydrophobicContact CZ-CB 3.53Å; F446-W458 AromaticContact CZ-CG 3.84Å; F446-W458 HydrophobicContact CZ-CG 3.84Å; F446-W458 PolarHBondContact N-O 3.28Å; F446-W458 PolarHBondContact O-N 3.15Å; T448-W458 PolarHBondContact OG1-NE1 2.9Å; R456-W458 HydrophobicContact CB-CZ2 3.72Å; R456-W458 HydrophobicContact CG-CZ2 4.36Å; R456-W458 PolarHBondContact O-NE1 3.08Å; W458-E484 CarbonylContact C-O 3.57Å; W458-E484 WeakPolarHBondContact CA-O 3.34Å; W458-E484 HydrophobicContact CE3-CB 4.34Å; W458-L485 HydrophobicContact CD2-CD1 4.03Å; W458-L485 HydrophobicContact CE3-CB 3.86Å; W458-L485 HydrophobicContact CE3-CD1 3.81Å; W458-L485 HydrophobicContact CE3-CG 4.43Å; W458-L485 HydrophobicContact CH2-CD1 3.97Å; W458-L485 HydrophobicContact CZ2-CD1 4.18Å; W458-L485 HydrophobicContact CZ3-CB 3.81Å; W458-L485 HydrophobicContact CZ3-CD1 3.77Å; W458-L485 HydrophobicContact CZ3-CG 4.27Å; W458-I767 HydrophobicContact CD2-CD1 4.28Å; W458-I767 HydrophobicContact CH2-CD1 4.37Å; W458-I767 HydrophobicContact CZ2-CD1 3.62Å
459	S	87.3	Confident	74.6	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	136.5	165	-175.6	0	0	0	0	109.7	D461 E484	S459-D461 WeakPolarHBondContact OG-CA 3.49Å; S459-D461 PolarHBondContact OG-N 2.99Å; S459-D461 PolarHBondContact OG-O 3.39Å; S459-E484 PolarHBondContact N-O 2.81Å; S459-E484 WeakPolarHBondContact O-CA 3.28Å
460	V	83.7	Confident	71.9	Confident	45 Å²	45	50.4 Å²	50.4	27%	0.273	27%	0.271	S	S	.	.	S	Bend	trans	-76.1	-31.6	162.8	-172.9	0	0	0	0	110.4	G444 F446 G462 L752 V769	G444-V460 PolarHBondContact O-N 2.77Å; F446-V460 HydrophobicContact CD1-CG2 4.38Å; F446-V460 HydrophobicContact CE1-CG2 3.87Å; V460-G462 PolarHBondContact O-N 2.86Å; V460-G462 VanDerWaalsContact O-N 3.13Å; V460-L752 HydrophobicContact CG2-CD1 3.69Å; V460-V769 HydrophobicContact CG2-CG1 4.24Å
461	D	70.4	Confident	69.3	Low	41 Å²	41	53.7 Å²	53.7	22%	0.219	31%	0.306	C	S	.	.			trans	-78.2	94.6	177	-61.9	-53.8	0	0	0	110.7	P442 G444 S459 A464	P442-D461 HydrophobicContact CB-CB 4.37Å; G444-D461 WeakPolarHBondContact CA-OD2 3.37Å; G444-D461 PolarHBondContact N-OD2 3.13Å; S459-D461 WeakPolarHBondContact OG-CA 3.49Å; S459-D461 PolarHBondContact OG-N 2.99Å; S459-D461 PolarHBondContact OG-O 3.39Å; D461-A464 HydrophobicContact CB-CB 3.74Å
462	G	59.5	Low	67	Low	39 Å²	39	54.4 Å²	54.4	40%	0.402	31%	0.312	S	S	.	.	S	Bend	trans	-74	-34.5	173	0	0	0	0	0	113.7	V460	V460-G462 PolarHBondContact O-N 2.86Å; V460-G462 VanDerWaalsContact O-N 3.13Å
463	E	49.5	Very low	65.1	Low	161 Å²	161	63.7 Å²	63.7	75%	0.752	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-17.4	-178.2	-64.6	-175	162.8	0	0	113.8	R465	E463-R465 PolarHBondContact O-N 3.2Å
464	A	46.1	Very low	63.2	Low	42 Å²	42	63.9 Å²	63.9	35%	0.347	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	9.2	-174.1	0	0	0	0	0	114.5	P442 D461	P442-A464 HydrophobicContact CB-CB 4.35Å; P442-A464 HydrophobicContact CG-CB 4.47Å; D461-A464 HydrophobicContact CB-CB 3.74Å
465	R	52.7	Low	61.6	Low	31 Å²	31	65.1 Å²	65.1	12%	0.117	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-85.4	127.6	-174.6	-67.1	178.8	169.7	-164.1	-9.1	111	E463 C476 A478 S482 N483 E484 L485	E463-R465 PolarHBondContact O-N 3.2Å; R465-C476 WeakPolarHBondContact CA-O 3.44Å; R465-C476 VanDerWaalsContact CB-O 3.23Å; R465-C476 WeakPolarHBondContact CB-O 3.15Å; R465-A478 HydrophobicContact CB-CB 4.21Å; R465-S482 PolarHBondContact NH1-O 2.9Å; R465-N483 PolarHBondContact NH1-O 2.93Å; R465-N483 PolarHBondContact NH2-O 2.5Å; R465-E484 PolarHBondContact NH2-O 3.32Å; R465-L485 PolarHBondContact NH2-O 3.27Å
466	C	44	Very low	59.7	Low	68 Å²	68	65.5 Å²	65.5	46%	0.459	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-74.2	150.8	-178.5	-64	0	0	0	0	112.1	C476	C466-C476 PolarHBondContact N-O 3.09Å
467	P	42.3	Very low	58.3	Low	114 Å²	114	66.1 Å²	66.1	74%	0.74	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-58.5	145.5	162	-19.6	32.5	0	0	0	110.8	E469	P467-E469 PolarHBondContact O-N 3.09Å
468	Y	45.3	Very low	57.4	Low	119 Å²	119	68.7 Å²	68.7	47%	0.467	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-73.9	124	179.8	176.1	-103.8	0	0	0	112.2	L343 E470 H477	L343-Y468 HydrophobicContact CD1-CD1 3.87Å; L343-Y468 HydrophobicContact CD1-CD2 3.81Å; L343-Y468 HydrophobicContact CD1-CE1 4.02Å; L343-Y468 HydrophobicContact CD1-CE2 3.99Å; L343-Y468 HydrophobicContact CD1-CG 3.75Å; Y468-E470 HydrophobicContact CE1-CG 4.02Å; Y468-H477 VanDerWaalsContact CA-CD2 3.5Å; Y468-H477 WeakPolarHBondContact CA-CD2 3.5Å; Y468-H477 AromaticContact CD2-CE1 3.88Å; Y468-H477 AromaticContact CD2-NE2 3.92Å
469	E	46.3	Very low	57	Low	150 Å²	150	69.3 Å²	69.3	70%	0.701	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-103.7	128.8	167.6	-66.9	-166.5	159.5	0	0	110.2	P467 G471 S472	P467-E469 PolarHBondContact O-N 3.09Å; E469-G471 PolarHBondContact O-N 2.97Å; E469-G471 VanDerWaalsContact O-N 3.12Å; E469-S472 WeakPolarHBondContact O-CB 3.23Å; E469-S472 PolarHBondContact O-N 3.49Å
470	E	39.9	Very low	57	Low	188 Å²	188	69.5 Å²	69.5	88%	0.879	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	116.9	-178.2	-71.7	-170	129.9	0	0	111.9	Y468	Y468-E470 HydrophobicContact CE1-CG 4.02Å
471	G	40.8	Very low	57.2	Low	70 Å²	70	67.4 Å²	67.4	72%	0.722	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.4	-14.2	-177.7	0	0	0	0	0	114.5	E469 R473	E469-G471 PolarHBondContact O-N 2.97Å; E469-G471 VanDerWaalsContact O-N 3.12Å; G471-R473 PolarHBondContact O-N 3.24Å
472	S	44.8	Very low	58	Low	48 Å²	48	65.5 Å²	65.5	34%	0.336	36%	0.364	S	S	.	.			trans	-77.4	104.6	172.5	-174.3	0	0	0	0	110.7	E469 S474 H477	E469-S472 WeakPolarHBondContact O-CB 3.23Å; E469-S472 PolarHBondContact O-N 3.49Å; S472-S474 PolarHBondContact O-N 2.91Å; S472-S474 VanDerWaalsContact O-N 3.11Å; S472-H477 PolarHBondContact O-CE1 3.03Å
473	R	49.1	Very low	59.1	Low	197 Å²	197	69 Å²	69	74%	0.743	37%	0.373	S	S	*	.			trans	-75.6	17.2	173.9	-72.9	-171.8	173.8	-172.4	-1.7	114.1	G471 D550	G471-R473 PolarHBondContact O-N 3.24Å; R473-D550 IonicContact NH1-OD2 3.66Å
474	S	53.3	Low	60.9	Low	13 Å²	13	63.4 Å²	63.4	9%	0.091	35%	0.347	C	S	.	.			trans	-60.9	142.5	-176.2	-173.5	0	0	0	0	112.8	S472 C476 H477	S472-S474 PolarHBondContact O-N 2.91Å; S472-S474 VanDerWaalsContact O-N 3.11Å; S474-C476 PolarHBondContact O-N 3.29Å; S474-C476 PolarHBondContact OG-N 3.43Å; S474-C476 PolarHBondContact OG-SG 2.87Å; S474-H477 PolarHBondContact O-CE1 2.72Å; S474-H477 PolarHBondContact O-ND1 2.93Å
475	L	60.6	Low	63	Low	27 Å²	27	61.4 Å²	61.4	14%	0.141	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-15.2	175.5	-59.7	179.7	0	0	0	113.4	H477 M486 M548 L551	L475-H477 VanDerWaalsContact C-N 3.28Å; L475-H477 PolarHBondContact O-N 2.68Å; L475-M486 HydrophobicContact CB-CE 4.31Å; L475-M486 WeakPolarHBondContact O-CE 3.2Å; L475-M548 WeakPolarHBondContact CD1-O 2.9Å; L475-L551 HydrophobicContact CD1-CD1 3.95Å; L475-L551 HydrophobicContact CD1-CG 4.26Å; L475-L551 HydrophobicContact CD2-CD1 3.5Å; L475-L551 HydrophobicContact CD2-CG 4.11Å; L475-L551 HydrophobicContact CG-CD1 4.4Å
476	C	58.3	Low	64.7	Low	8 Å²	8	60.2 Å²	60.2	5%	0.054	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	2.2	-169.9	67.4	0	0	0	0	116.4	L440 R465 C466 S474	L440-C476 WeakPolarHBondContact O-CB 3.26Å; R465-C476 WeakPolarHBondContact CA-O 3.44Å; R465-C476 VanDerWaalsContact CB-O 3.23Å; R465-C476 WeakPolarHBondContact CB-O 3.15Å; C466-C476 PolarHBondContact N-O 3.09Å; S474-C476 PolarHBondContact O-N 3.29Å; S474-C476 PolarHBondContact OG-N 3.43Å; S474-C476 PolarHBondContact OG-SG 2.87Å
477	H	65.7	Low	66.9	Low	22 Å²	22	58.7 Å²	58.7	10%	0.102	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-78.2	146.8	-175	-59.6	112.5	0	0	0	112.7	L343 Y468 S472 S474 L475	L343-H477 HydrophobicContact CD2-CB 4.5Å; Y468-H477 VanDerWaalsContact CA-CD2 3.5Å; Y468-H477 WeakPolarHBondContact CA-CD2 3.5Å; Y468-H477 AromaticContact CD2-CE1 3.88Å; Y468-H477 AromaticContact CD2-NE2 3.92Å; S472-H477 PolarHBondContact O-CE1 3.03Å; S474-H477 PolarHBondContact O-CE1 2.72Å; S474-H477 PolarHBondContact O-ND1 2.93Å; L475-H477 VanDerWaalsContact C-N 3.28Å; L475-H477 PolarHBondContact O-N 2.68Å
478	A	72.7	Confident	69.4	Low	57 Å²	57	53.6 Å²	53.6	47%	0.471	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-77.6	128.6	171.9	0	0	0	0	0	111	R465	R465-A478 HydrophobicContact CB-CB 4.21Å
479	N	85.2	Confident	71.7	Confident	13 Å²	13	48.7 Å²	48.7	7%	0.07	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-103.4	159.8	173	66.9	79.8	0	0	0	111.3	V339 G342 Y481 S482 L485	V339-N479 HydrophobicContact CG1-CB 4.5Å; V339-N479 WeakPolarHBondContact O-CB 3.42Å; G342-N479 CarbonylContact O-C 3.53Å; G342-N479 VanDerWaalsContact O-CA 3.25Å; G342-N479 WeakPolarHBondContact O-CA 3.38Å; G342-N479 WeakPolarHBondContact O-CB 3.23Å; N479-Y481 VanDerWaalsContact C-N 3.28Å; N479-Y481 PolarHBondContact O-N 3.25Å; N479-Y481 WeakPolarHBondContact OD1-CA 3.41Å; N479-Y481 WeakPolarHBondContact OD1-CB 3.48Å; N479-Y481 PolarHBondContact OD1-N 2.67Å; N479-S482 PolarHBondContact OD1-N 2.94Å; N479-L485 PolarHBondContact ND2-O 2.8Å
480	I	86.3	Confident	73.9	Confident	6 Å²	6	44.1 Å²	44.1	3%	0.031	24%	0.237	C	C	.	.	S	Bend	trans	-78.5	-3.8	180	65.9	150.8	0	0	0	114.2	G342 D344 M348 K410 F900	G342-I480 WeakPolarHBondContact O-CG1 3.15Å; G342-I480 PolarHBondContact O-N 3.19Å; D344-I480 WeakPolarHBondContact O-CD1 3.37Å; M348-I480 HydrophobicContact CB-CD1 4.48Å; M348-I480 HydrophobicContact CG-CD1 3.79Å; M348-I480 HydrophobicContact SD-CD1 3.77Å; K410-I480 PolarHBondContact NZ-O 3.5Å; I480-F900 HydrophobicContact CG2-CD1 3.94Å; I480-F900 HydrophobicContact CG2-CE1 3.76Å; I480-F900 HydrophobicContact CG2-CZ 4.25Å
481	Y	88.1	Confident	76.4	Confident	1 Å²	1	36.2 Å²	36.2	0%	0.004	20%	0.202	C	C	.	.	S	Bend	trans	-91.2	-36.7	-176.4	-63.4	-78.8	0	0	0	113.8	H333 V337 V339 H347 M348 S413 N479	H333-Y481 HydrophobicContact CB-CD1 4.16Å; H333-Y481 HydrophobicContact CB-CE1 3.69Å; V337-Y481 HydrophobicContact CG2-CE2 4.21Å; V339-Y481 HydrophobicContact CB-CD2 4.37Å; V339-Y481 HydrophobicContact CG1-CD2 4.21Å; V339-Y481 HydrophobicContact CG2-CD2 4.48Å; H347-Y481 AromaticContact ND1-CE2 3.68Å; H347-Y481 AromaticContact ND1-CZ 3.74Å; H347-Y481 PolarHBondContact ND1-OH 3.02Å; H347-Y481 PolarHBondContact O-OH 3.06Å; M348-Y481 HydrophobicContact CG-CD1 4.31Å; M348-Y481 HydrophobicContact CG-CE1 3.44Å; M348-Y481 VanDerWaalsContact CG-CE1 3.44Å; M348-Y481 HydrophobicContact SD-CD1 4.32Å; M348-Y481 HydrophobicContact SD-CE1 4.01Å; S413-Y481 PolarHBondContact OG-O 3.09Å; N479-Y481 VanDerWaalsContact C-N 3.28Å; N479-Y481 PolarHBondContact O-N 3.25Å; N479-Y481 WeakPolarHBondContact OD1-CA 3.41Å; N479-Y481 WeakPolarHBondContact OD1-CB 3.48Å; N479-Y481 PolarHBondContact OD1-N 2.67Å
482	S	87.3	Confident	78.5	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.007	17%	0.174	C	C	.	.			trans	-160.9	149	178.2	152.1	0	0	0	0	113.2	R465 N479 E484 L485	R465-S482 PolarHBondContact NH1-O 2.9Å; N479-S482 PolarHBondContact OD1-N 2.94Å; S482-E484 PolarHBondContact OG-N 2.84Å; S482-E484 PolarHBondContact OG-OE2 2.76Å; S482-L485 WeakPolarHBondContact OG-CB 3.01Å; S482-L485 PolarHBondContact OG-N 2.86Å
483	N	82	Confident	80.2	Confident	114 Å²	114	37.2 Å²	37.2	61%	0.61	19%	0.193	S	C	*	.	S	Bend	trans	-77.2	-26.6	179.7	-65.2	-18.3	0	0	0	111.8	R465	R465-N483 PolarHBondContact NH1-O 2.93Å; R465-N483 PolarHBondContact NH2-O 2.5Å
484	E	87.6	Confident	81.8	Confident	43 Å²	43	34.3 Å²	34.3	20%	0.201	19%	0.192	C	C	.	.	S	Bend	trans	-97.4	-52.1	-176.4	-44.3	87.3	156.5	0	0	111.1	I62 W458 S459 R465 S482	I62-E484 HydrophobicContact CD1-CB 4.05Å; I62-E484 HydrophobicContact CD1-CG 4.14Å; W458-E484 CarbonylContact C-O 3.57Å; W458-E484 WeakPolarHBondContact CA-O 3.34Å; W458-E484 HydrophobicContact CE3-CB 4.34Å; S459-E484 PolarHBondContact N-O 2.81Å; S459-E484 WeakPolarHBondContact O-CA 3.28Å; R465-E484 PolarHBondContact NH2-O 3.32Å; S482-E484 PolarHBondContact OG-N 2.84Å; S482-E484 PolarHBondContact OG-OE2 2.76Å
485	L	91.5	Very high	83.3	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	134.9	-178	-174.6	67.3	0	0	0	110.7	V339 L415 R456 W458 R465 N479 S482 I488	V339-L485 HydrophobicContact CG1-CD2 4.14Å; V339-L485 HydrophobicContact CG1-CG 4.27Å; V339-L485 HydrophobicContact CG2-CD2 4.15Å; L415-L485 HydrophobicContact CB-CD2 3.75Å; L415-L485 HydrophobicContact CD2-CD2 4.31Å; R456-L485 HydrophobicContact CB-CD1 3.96Å; R456-L485 HydrophobicContact CG-CD1 4.44Å; W458-L485 HydrophobicContact CD2-CD1 4.03Å; W458-L485 HydrophobicContact CE3-CB 3.86Å; W458-L485 HydrophobicContact CE3-CD1 3.81Å; W458-L485 HydrophobicContact CE3-CG 4.43Å; W458-L485 HydrophobicContact CH2-CD1 3.97Å; W458-L485 HydrophobicContact CZ2-CD1 4.18Å; W458-L485 HydrophobicContact CZ3-CB 3.81Å; W458-L485 HydrophobicContact CZ3-CD1 3.77Å; W458-L485 HydrophobicContact CZ3-CG 4.27Å; R465-L485 PolarHBondContact NH2-O 3.27Å; N479-L485 PolarHBondContact ND2-O 2.8Å; S482-L485 WeakPolarHBondContact OG-CB 3.01Å; S482-L485 PolarHBondContact OG-N 2.86Å; L485-I488 HydrophobicContact CD1-CG1 4.28Å; L485-I488 HydrophobicContact CD2-CD1 4Å; L485-I488 HydrophobicContact CD2-CG1 3.91Å
486	M	87.9	Confident	84.2	Confident	6 Å²	6	39 Å²	39	3%	0.03	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-46.6	178.7	-60.5	170.1	69.8	0	0	111	T445 I457 L475	T445-M486 HydrophobicContact CG2-SD 4.26Å; I457-M486 HydrophobicContact CG2-CB 4.45Å; I457-M486 HydrophobicContact CG2-SD 4.25Å; I457-M486 PolarHBondContact O-N 3.15Å; L475-M486 HydrophobicContact CB-CE 4.31Å; L475-M486 WeakPolarHBondContact O-CE 3.2Å
487	K	90.5	Very high	85.2	Confident	35 Å²	35	39.6 Å²	39.6	15%	0.152	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	148.7	-177.2	-167.8	79.4	175	-170.7	0	111.5	D338 A340 I457 L551	D338-K487 WeakPolarHBondContact OD1-CE 3.42Å; D338-K487 IonicContact OD1-NZ 2.91Å; D338-K487 PolarHBondContact OD1-NZ 2.9Å; D338-K487 IonicContact OD2-NZ 3.81Å; D338-K487 PolarHBondContact OD2-NZ 3.39Å; A340-K487 HydrophobicContact CB-CD 3.55Å; I457-K487 HydrophobicContact CB-CB 4.44Å; I457-K487 PolarHBondContact N-O 3.45Å; I457-K487 PolarHBondContact O-N 3.48Å; K487-L551 HydrophobicContact CB-CD1 4.09Å; K487-L551 HydrophobicContact CD-CD1 4.46Å; K487-L551 HydrophobicContact CG-CD1 3.69Å
488	I	93.4	Very high	85.9	Confident	8 Å²	8	38.9 Å²	38.9	4%	0.041	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	135.6	162.5	-53	177.3	0	0	0	108.3	V339 T454 R456 L485 Y490	V339-I488 HydrophobicContact CG2-CD1 3.84Å; V339-I488 HydrophobicContact CG2-CG1 4.07Å; T454-I488 HydrophobicContact CG2-CG2 3.76Å; R456-I488 HydrophobicContact CG-CB 4.5Å; R456-I488 HydrophobicContact CG-CG1 4.14Å; R456-I488 HydrophobicContact CG-CG2 4.16Å; L485-I488 HydrophobicContact CD1-CG1 4.28Å; L485-I488 HydrophobicContact CD2-CD1 4Å; L485-I488 HydrophobicContact CD2-CG1 3.91Å; I488-Y490 HydrophobicContact CB-CE1 4.45Å; I488-Y490 HydrophobicContact CB-CE2 4.08Å; I488-Y490 WeakPolarHBondContact CD1-OH 3.39Å; I488-Y490 HydrophobicContact CG2-CD1 3.98Å; I488-Y490 HydrophobicContact CG2-CD2 4.26Å; I488-Y490 HydrophobicContact CG2-CE1 3.55Å; I488-Y490 HydrophobicContact CG2-CE2 3.87Å; I488-Y490 HydrophobicContact CG2-CG 4.31Å
489	I	94.2	Very high	85.6	Confident	15 Å²	15	41.1 Å²	41.1	8%	0.077	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	126.6	163.2	-55.5	173.2	0	0	0	106.7	T454 I455 L534 Y546 L551	T454-I489 VanDerWaalsContact CA-O 3.27Å; T454-I489 WeakPolarHBondContact CA-O 3.4Å; T454-I489 WeakPolarHBondContact CB-O 3.46Å; I455-I489 HydrophobicContact CB-CB 4.26Å; I455-I489 PolarHBondContact N-O 3.37Å; I455-I489 PolarHBondContact O-N 2.93Å; I489-L534 HydrophobicContact CD1-CD2 4.25Å; I489-Y546 HydrophobicContact CD1-CD1 4.24Å; I489-Y546 HydrophobicContact CD1-CE1 4.49Å; I489-Y546 HydrophobicContact CD1-CG 4.28Å; I489-Y546 HydrophobicContact CG2-CD1 4.35Å; I489-Y546 HydrophobicContact CG2-CE1 3.64Å; I489-L551 HydrophobicContact CD1-CB 4.26Å; I489-L551 HydrophobicContact CD1-CD2 4.24Å
490	Y	93	Very high	84.4	Confident	55 Å²	55	42 Å²	42	22%	0.216	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	119.9	174.3	-56	-82.6	0	0	0	108.5	V337 T454 I488 L495 L498	V337-Y490 PolarHBondContact N-OH 3.36Å; V337-Y490 WeakPolarHBondContact O-CE2 3.25Å; V337-Y490 PolarHBondContact O-OH 2.79Å; T454-Y490 HydrophobicContact CG2-CD1 3.55Å; T454-Y490 HydrophobicContact CG2-CE1 3.86Å; T454-Y490 HydrophobicContact CG2-CG 4.48Å; I488-Y490 HydrophobicContact CB-CE1 4.45Å; I488-Y490 HydrophobicContact CB-CE2 4.08Å; I488-Y490 WeakPolarHBondContact CD1-OH 3.39Å; I488-Y490 HydrophobicContact CG2-CD1 3.98Å; I488-Y490 HydrophobicContact CG2-CD2 4.26Å; I488-Y490 HydrophobicContact CG2-CE1 3.55Å; I488-Y490 HydrophobicContact CG2-CE2 3.87Å; I488-Y490 HydrophobicContact CG2-CG 4.31Å; Y490-L495 HydrophobicContact CD1-CD2 3.72Å; Y490-L495 HydrophobicContact CE1-CD2 4.47Å; Y490-L495 HydrophobicContact CG-CD2 3.93Å; Y490-L498 HydrophobicContact CD1-CD1 3.93Å; Y490-L498 HydrophobicContact CD1-CD2 4.44Å; Y490-L498 HydrophobicContact CE1-CD1 3.68Å; Y490-L498 HydrophobicContact CE1-CD2 4.24Å
491	C	91.4	Very high	82.5	Confident	21 Å²	21	44.1 Å²	44.1	14%	0.142	24%	0.24	C	C	.	.	S	Bend	trans	-91.3	-27.4	-179.8	-63.3	0	0	0	0	112.4	D453 V522 Y546	D453-C491 WeakPolarHBondContact O-CB 3.47Å; D453-C491 PolarHBondContact O-N 2.98Å; C491-V522 HydrophobicContact CB-CG2 4.06Å; C491-Y546 PolarHBondContact SG-OH 3.43Å
492	D	86	Confident	80.5	Confident	27 Å²	27	51 Å²	51	14%	0.144	27%	0.273	C	S	.	.			trans	-92.9	117.3	168.7	172.7	20.1	0	0	0	109.8	D453 D494 L495 V496	D453-D492 HydrophobicContact CB-CB 3.66Å; D492-D494 VanDerWaalsContact C-N 3.33Å; D492-D494 PolarHBondContact OD1-N 3.34Å; D492-L495 WeakPolarHBondContact O-CD2 3.44Å; D492-L495 PolarHBondContact O-N 3.05Å; D492-L495 PolarHBondContact OD2-N 2.78Å; D492-L495 VanDerWaalsContact OD2-N 3.16Å; D492-V496 PolarHBondContact OD2-N 2.73Å
493	P	81.1	Confident	78.6	Confident	113 Å²	113	51.9 Å²	51.9	73%	0.734	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-21.5	177.4	31.7	-35.9	0	0	0	113.7	L495	P493-L495 VanDerWaalsContact C-N 3.31Å
494	D	82.4	Confident	76.4	Confident	135 Å²	135	48.9 Å²	48.9	72%	0.722	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-6.6	177.8	-71.8	-30.6	0	0	0	112.1	D492 V496	D492-D494 VanDerWaalsContact C-N 3.33Å; D492-D494 PolarHBondContact OD1-N 3.34Å; D494-V496 HydrophobicContact CB-CG2 3.74Å; D494-V496 PolarHBondContact O-N 2.82Å; D494-V496 VanDerWaalsContact O-N 3.14Å
495	L	84.4	Confident	73.7	Confident	40 Å²	40	51.1 Å²	51.1	21%	0.209	28%	0.278	C	S	.	.			trans	56.8	25.1	174.6	-54.5	173.6	0	0	0	114.4	L335 Y490 D492 P493 C497 L498	L335-L495 HydrophobicContact CB-CD1 4.22Å; L335-L495 WeakPolarHBondContact O-CD1 3.44Å; Y490-L495 HydrophobicContact CD1-CD2 3.72Å; Y490-L495 HydrophobicContact CE1-CD2 4.47Å; Y490-L495 HydrophobicContact CG-CD2 3.93Å; D492-L495 WeakPolarHBondContact O-CD2 3.44Å; D492-L495 PolarHBondContact O-N 3.05Å; D492-L495 PolarHBondContact OD2-N 2.78Å; D492-L495 VanDerWaalsContact OD2-N 3.16Å; P493-L495 VanDerWaalsContact C-N 3.31Å; L495-C497 PolarHBondContact O-N 3.47Å; L495-L498 HydrophobicContact CB-CD1 4.12Å; L495-L498 HydrophobicContact CD2-CD1 3.89Å; L495-L498 HydrophobicContact CG-CD1 4.44Å; L495-L498 PolarHBondContact O-N 2.84Å
496	V	80.1	Confident	71	Confident	99 Å²	99	53.7 Å²	53.7	60%	0.6	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-64.3	-42.5	-171.7	-175	0	0	0	0	111	D492 D494 L498	D492-V496 PolarHBondContact OD2-N 2.73Å; D494-V496 HydrophobicContact CB-CG2 3.74Å; D494-V496 PolarHBondContact O-N 2.82Å; D494-V496 VanDerWaalsContact O-N 3.14Å; V496-L498 VanDerWaalsContact C-N 3.33Å; V496-L498 PolarHBondContact O-N 2.85Å
497	C	77.4	Confident	68.6	Low	20 Å²	20	55.8 Å²	55.8	14%	0.135	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-79	-9.2	-175.3	-61.1	0	0	0	0	114.4	D452 D453 L495	D452-C497 WeakPolarHBondContact CA-O 3.29Å; D453-C497 HydrophobicContact CB-CB 4.27Å; D453-C497 PolarHBondContact OD2-SG 2.82Å; L495-C497 PolarHBondContact O-N 3.47Å
498	L	80.5	Confident	65.7	Low	8 Å²	8	57.6 Å²	57.6	4%	0.042	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-68.2	-35.7	178.5	-82	-175.2	0	0	0	113.2	L335 S418 D452 T454 Y490 L495 V496	L335-L498 HydrophobicContact CB-CD1 4.32Å; L335-L498 HydrophobicContact CD2-CD1 4.22Å; S418-L498 WeakPolarHBondContact CB-O 3.26Å; S418-L498 PolarHBondContact OG-O 2.84Å; D452-L498 HydrophobicContact CB-CD2 4.44Å; T454-L498 HydrophobicContact CG2-CD2 3.51Å; Y490-L498 HydrophobicContact CD1-CD1 3.93Å; Y490-L498 HydrophobicContact CD1-CD2 4.44Å; Y490-L498 HydrophobicContact CE1-CD1 3.68Å; Y490-L498 HydrophobicContact CE1-CD2 4.24Å; L495-L498 HydrophobicContact CB-CD1 4.12Å; L495-L498 HydrophobicContact CD2-CD1 3.89Å; L495-L498 HydrophobicContact CG-CD1 4.44Å; L495-L498 PolarHBondContact O-N 2.84Å; V496-L498 VanDerWaalsContact C-N 3.33Å; V496-L498 PolarHBondContact O-N 2.85Å
499	R	67	Low	62.6	Low	103 Å²	103	65.2 Å²	65.2	39%	0.389	37%	0.365	S	S	.	.	S	Bend	trans	-87.1	124.9	-177.3	-57.5	-178.6	-176.2	-154.1	2.3	109.2	L335 S356 A501	L335-R499 HydrophobicContact CD1-CG 3.87Å; S356-R499 VanDerWaalsContact CB-NH2 3.3Å; S356-R499 PolarHBondContact OG-NH2 2.78Å; R499-A501 PolarHBondContact O-N 3.04Å
500	D	60	Low	59.4	Low	32 Å²	32	73 Å²	73	17%	0.171	40%	0.401	C	S	.	.			trans	-66.8	106.7	168.5	-178.7	-17.2	0	0	0	109	S393 E502 M503 R1010	S393-D500 PolarHBondContact O-N 2.86Å; S393-D500 VanDerWaalsContact O-N 3.11Å; D500-E502 VanDerWaalsContact C-N 3.25Å; D500-E502 PolarHBondContact O-N 3.36Å; D500-E502 WeakPolarHBondContact OD1-CA 3.27Å; D500-E502 WeakPolarHBondContact OD1-CB 3.35Å; D500-E502 PolarHBondContact OD1-N 2.93Å; D500-M503 HydrophobicContact CB-CB 4.23Å; D500-M503 HydrophobicContact CB-CG 3.7Å; D500-M503 WeakPolarHBondContact O-CB 3.36Å; D500-M503 PolarHBondContact O-N 3.05Å; D500-M503 PolarHBondContact OD1-N 3.23Å; D500-R1010 IonicContact OD2-NH2 2.63Å
501	A	47.1	Very low	56.1	Low	51 Å²	51	80.5 Å²	80.5	42%	0.421	43%	0.434	S	S	.	.	H	α-helix	trans	-64.5	-29.3	-178.9	0	0	0	0	0	112.5	R499 S504 L516	R499-A501 PolarHBondContact O-N 3.04Å; A501-S504 PolarHBondContact O-N 3.02Å; A501-S504 PolarHBondContact O-OG 3.49Å; A501-L516 HydrophobicContact CB-CD1 4.24Å
502	E	45.6	Very low	53	Low	146 Å²	146	84.1 Å²	84.1	68%	0.682	46%	0.456	S	S	*	.	H	α-helix	trans	-70.5	-34.2	179.4	-58.3	-165	173	0	0	111.6	D500 S504	D500-E502 VanDerWaalsContact C-N 3.25Å; D500-E502 PolarHBondContact O-N 3.36Å; D500-E502 WeakPolarHBondContact OD1-CA 3.27Å; D500-E502 WeakPolarHBondContact OD1-CB 3.35Å; D500-E502 PolarHBondContact OD1-N 2.93Å; E502-S504 VanDerWaalsContact C-N 3.29Å; E502-S504 PolarHBondContact O-N 3.23Å
503	M	48.3	Very low	49.9	Very low	18 Å²	18	91.4 Å²	91.4	9%	0.089	49%	0.489	C	S	.	.	H	α-helix	trans	-58.4	-38.5	174.9	-73.4	-99	-136.7	0	0	113	A66 D67 V361 D500	A66-M503 VanDerWaalsContact O-CE 3.27Å; A66-M503 WeakPolarHBondContact O-CE 3.41Å; D67-M503 HydrophobicContact CB-SD 4.34Å; V361-M503 HydrophobicContact CB-SD 4.28Å; V361-M503 HydrophobicContact CG1-CE 4.18Å; V361-M503 HydrophobicContact CG1-SD 3.61Å; V361-M503 HydrophobicContact CG2-CE 3.93Å; V361-M503 HydrophobicContact CG2-SD 3.64Å; D500-M503 HydrophobicContact CB-CB 4.23Å; D500-M503 HydrophobicContact CB-CG 3.7Å; D500-M503 WeakPolarHBondContact O-CB 3.36Å; D500-M503 PolarHBondContact O-N 3.05Å; D500-M503 PolarHBondContact OD1-N 3.23Å
504	S	34.1	Very low	47.3	Very low	51 Å²	51	95.7 Å²	95.7	36%	0.357	49%	0.492	S	S	.	.	H	α-helix	trans	-77.4	-33.3	-171.4	74.9	0	0	0	0	114.3	A501 E502	A501-S504 PolarHBondContact O-N 3.02Å; A501-S504 PolarHBondContact O-OG 3.49Å; E502-S504 VanDerWaalsContact C-N 3.29Å; E502-S504 PolarHBondContact O-N 3.23Å
505	N	31.8	Very low	44.6	Very low	91 Å²	91	96 Å²	96	49%	0.487	49%	0.489	S	S	.	.			trans	-141.9	58.6	-160.4	-90.1	-67.1	0	0	0	115.2	D507 A508	N505-D507 PolarHBondContact O-N 3.25Å; N505-A508 HydrophobicContact CB-CB 4.21Å
506	A	34.4	Very low	42.4	Very low	53 Å²	53	99.9 Å²	99.9	44%	0.438	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	9	-179.7	0	0	0	0	0	117.2
507	D	38.2	Very low	40.3	Very low	51 Å²	51	99 Å²	99	27%	0.273	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.8	12.3	-176.9	-140	-4.3	0	0	0	114.9	N252 N505 K509	N252-D507 PolarHBondContact ND2-OD2 3.35Å; N505-D507 PolarHBondContact O-N 3.25Å; D507-K509 PolarHBondContact O-N 2.85Å; D507-K509 IonicContact OD1-NZ 2.73Å; D507-K509 PolarHBondContact OD1-NZ 3.05Å
508	A	28.9	Very low	39.1	Very low	72 Å²	72	100 Å²	100	60%	0.595	51%	0.514	S	S	*	.			trans	-70.4	94	-179.8	0	0	0	0	0	111.7	N505	N505-A508 HydrophobicContact CB-CB 4.21Å
509	K	28.9	Very low	38	Very low	169 Å²	169	106.6 Å²	106.6	74%	0.735	54%	0.539	S	S	*	.			trans	-91.1	11.2	-176.4	-74	-172.2	176.8	84.4	0	115.2	D507	D507-K509 PolarHBondContact O-N 2.85Å; D507-K509 IonicContact OD1-NZ 2.73Å; D507-K509 PolarHBondContact OD1-NZ 3.05Å
510	E	26.8	Very low	38.2	Very low	178 Å²	178	104 Å²	104	83%	0.832	54%	0.537	S	S	*	.	S	Bend	trans	-86.1	152	172.5	-66.2	-155	116.4	0	0	111.8	T512	E510-T512 VanDerWaalsContact C-N 3.33Å; E510-T512 PolarHBondContact O-N 3.01Å; E510-T512 VanDerWaalsContact O-N 3.1Å
511	K	24.1	Very low	39.5	Very low	212 Å²	212	102.5 Å²	102.5	92%	0.922	53%	0.529	S	S	*	.			trans	-89.2	65.3	-170.1	-63.2	179.6	179.7	179.5	0	111.7
512	T	25.2	Very low	41.8	Very low	98 Å²	98	100.1 Å²	100.1	60%	0.601	51%	0.509	S	S	*	.			trans	-103.3	99.3	166.5	24.7	0	0	0	0	108.7	E510 Y514	E510-T512 VanDerWaalsContact C-N 3.33Å; E510-T512 PolarHBondContact O-N 3.01Å; E510-T512 VanDerWaalsContact O-N 3.1Å; T512-Y514 HydrophobicContact CG2-CD2 4.35Å; T512-Y514 HydrophobicContact CG2-CE2 3.93Å; T512-Y514 PolarHBondContact O-N 3.22Å
513	E	22.4	Very low	44.1	Very low	180 Å²	180	95 Å²	95	84%	0.841	48%	0.483	S	S	*	.			trans	-71.7	63	170.1	-71	177.1	123.9	0	0	110.6	H515	E513-H515 PolarHBondContact O-N 3.33Å
514	Y	24.8	Very low	46.4	Very low	203 Å²	203	94.3 Å²	94.3	80%	0.796	48%	0.48	S	S	*	.			trans	-72.7	75.4	149.8	-65.6	-69.3	0	0	0	107.3	T512 L516	T512-Y514 HydrophobicContact CG2-CD2 4.35Å; T512-Y514 HydrophobicContact CG2-CE2 3.93Å; T512-Y514 PolarHBondContact O-N 3.22Å; Y514-L516 PolarHBondContact O-N 3.2Å
515	H	27.3	Very low	49.4	Very low	140 Å²	140	92.5 Å²	92.5	65%	0.648	47%	0.466	S	S	*	.			trans	-50	123.4	152.3	-105.3	-82.5	0	0	0	107	E513 D517	E513-H515 PolarHBondContact O-N 3.33Å; H515-D517 HydrophobicContact CB-CB 4.5Å; H515-D517 PolarHBondContact O-N 3.04Å
516	L	36.6	Very low	52.5	Low	123 Å²	123	89.6 Å²	89.6	64%	0.644	45%	0.45	S	S	*	.			trans	-60.6	93.3	139.2	-90.3	84.8	0	0	0	104.2	A501 Y514 G518	A501-L516 HydrophobicContact CB-CD1 4.24Å; Y514-L516 PolarHBondContact O-N 3.2Å; L516-G518 PolarHBondContact O-N 2.91Å
517	D	36.2	Very low	55.3	Low	80 Å²	80	87.4 Å²	87.4	43%	0.428	43%	0.431	S	S	.	.			trans	-62.5	136.5	178.8	-157.1	-11.7	0	0	0	106.3	H515 R519	H515-D517 HydrophobicContact CB-CB 4.5Å; H515-D517 PolarHBondContact O-N 3.04Å; D517-R519 HydrophobicContact CB-CG 4.34Å; D517-R519 PolarHBondContact O-N 2.88Å; D517-R519 IonicContact OD1-NE 3.73Å; D517-R519 PolarHBondContact OD1-NE 2.84Å; D517-R519 IonicContact OD1-NH2 2.71Å; D517-R519 IonicContact OD2-CZ 2.8Å; D517-R519 IonicContact OD2-NE 2.8Å; D517-R519 PolarHBondContact OD2-NE 3.08Å; D517-R519 IonicContact OD2-NH2 2.7Å; D517-R519 PolarHBondContact OD2-NH2 2.68Å
518	G	52	Low	57.8	Low	40 Å²	40	85.2 Å²	85.2	41%	0.412	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	15.8	-163.6	0	0	0	0	0	115.4	L516 R539	L516-G518 PolarHBondContact O-N 2.91Å; G518-R539 PolarHBondContact O-NH1 2.87Å
519	R	57.7	Low	60.5	Low	148 Å²	148	83.6 Å²	83.6	56%	0.558	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	-16.4	-164.9	-40.1	-174.3	-162.7	-163.2	13.8	113.9	D517 R539 N540	D517-R519 HydrophobicContact CB-CG 4.34Å; D517-R519 PolarHBondContact O-N 2.88Å; D517-R519 IonicContact OD1-NE 3.73Å; D517-R519 PolarHBondContact OD1-NE 2.84Å; D517-R519 IonicContact OD1-NH2 2.71Å; D517-R519 IonicContact OD2-CZ 2.8Å; D517-R519 IonicContact OD2-NE 2.8Å; D517-R519 PolarHBondContact OD2-NE 3.08Å; D517-R519 IonicContact OD2-NH2 2.7Å; D517-R519 PolarHBondContact OD2-NH2 2.68Å; R519-R539 CarbonylContact O-C 3.6Å; R519-R539 WeakPolarHBondContact O-CB 3.45Å; R519-N540 WeakPolarHBondContact CB-OD1 3.4Å; R519-N540 VanDerWaalsContact O-CG 3.26Å; R519-N540 PolarHBondContact O-N 2.95Å; R519-N540 PolarHBondContact O-ND2 2.87Å; R519-N540 VanDerWaalsContact O-ND2 3.16Å; R519-N540 PolarHBondContact O-OD1 3.47Å
520	S	72	Confident	62.9	Low	49 Å²	49	78.8 Å²	78.8	34%	0.343	39%	0.385	S	S	.	.			trans	-92.6	152.6	171.1	-140.6	0	0	0	0	111.4	D453 R539	D453-S520 WeakPolarHBondContact OD2-CB 3.31Å; D453-S520 PolarHBondContact OD2-OG 3.02Å; S520-R539 WeakPolarHBondContact O-CD 3.24Å
521	G	87.8	Confident	65.6	Low	0 Å²	0	71 Å²	71	0%	0	35%	0.35	C	S	.	.	S	Bend	trans	118	131.9	-175.2	0	0	0	0	0	113.5	D453 R539	D453-G521 WeakPolarHBondContact OD1-CA 2.91Å; D453-G521 PolarHBondContact OD1-N 2.99Å; D453-G521 PolarHBondContact OD2-N 3.21Å; D453-G521 VanDerWaalsContact OD2-N 3.15Å; G521-R539 WeakPolarHBondContact O-CD 3.08Å; G521-R539 WeakPolarHBondContact O-CG 3.43Å; G521-R539 PolarHBondContact O-N 3.11Å
522	V	94.5	Very high	68.5	Low	1 Å²	1	65.2 Å²	65.2	1%	0.006	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	131.7	170.5	-170.3	0	0	0	0	109.2	C449 S450 D453 I455 C491 I525	C449-V522 HydrophobicContact CB-CB 3.92Å; C449-V522 HydrophobicContact CB-CG1 3.61Å; S450-V522 PolarHBondContact O-N 2.9Å; S450-V522 VanDerWaalsContact O-N 3.09Å; D453-V522 PolarHBondContact OD1-N 3.29Å; I455-V522 HydrophobicContact CD1-CG1 4.42Å; I455-V522 HydrophobicContact CG1-CG1 4.26Å; I455-V522 HydrophobicContact CG1-CG2 4.25Å; C491-V522 HydrophobicContact CB-CG2 4.06Å; V522-I525 HydrophobicContact CG1-CG2 4.49Å
523	R	94.5	Very high	71.7	Confident	38 Å²	38	62.6 Å²	62.6	14%	0.143	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	-31.8	-169.6	-179.9	59.8	-168.4	90	-1.4	113.7	W422 G537 R539 D563 V564 L565	W422-R523 WeakPolarHBondContact CB-O 3.39Å; W422-R523 PolarHBondContact O-NH1 2.95Å; R523-G537 WeakPolarHBondContact CA-O 3.3Å; R523-G537 PolarHBondContact N-O 2.99Å; R523-R539 HydrophobicContact CB-CG 4.3Å; R523-D563 HydrophobicContact CG-CB 4.43Å; R523-V564 VanDerWaalsContact CG-O 3.26Å; R523-V564 WeakPolarHBondContact CG-O 3.45Å; R523-L565 HydrophobicContact CG-CD2 4.18Å
524	S	96.5	Very high	75.1	Confident	4 Å²	4	54.1 Å²	54.1	3%	0.028	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	155.5	178.1	51.6	0	0	0	0	111.1	S536 G537 V564	S524-S536 CarbonylContact O-C 3.59Å; S524-S536 WeakPolarHBondContact O-CA 3.42Å; S524-G537 PolarHBondContact N-O 3.19Å; S524-G537 PolarHBondContact O-N 3.05Å; S524-V564 WeakPolarHBondContact CB-O 3.44Å; S524-V564 PolarHBondContact OG-O 2.65Å
525	I	97.3	Very high	78.6	Confident	12 Å²	12	44.4 Å²	44.4	6%	0.062	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	154	171.9	45.5	167.8	0	0	0	109.5	A423 V447 C449 I455 V522 L534 A535	A423-I525 HydrophobicContact CB-CG1 3.8Å; V447-I525 HydrophobicContact CB-CD1 4.12Å; V447-I525 HydrophobicContact CG1-CD1 3.91Å; V447-I525 VanDerWaalsContact O-CD1 3.29Å; V447-I525 WeakPolarHBondContact O-CD1 3.36Å; C449-I525 HydrophobicContact CB-CD1 4.29Å; C449-I525 HydrophobicContact CB-CG1 4.3Å; C449-I525 HydrophobicContact CB-CG2 3.69Å; I455-I525 HydrophobicContact CD1-CG2 4.28Å; I455-I525 HydrophobicContact CG1-CG2 4.45Å; I455-I525 HydrophobicContact CG2-CG2 4.32Å; V522-I525 HydrophobicContact CG1-CG2 4.49Å; I525-L534 HydrophobicContact CB-CD1 4.33Å; I525-L534 HydrophobicContact CG2-CD1 4.4Å; I525-A535 CarbonylContact C-O 3.5Å; I525-A535 VanDerWaalsContact CA-O 3.25Å; I525-A535 WeakPolarHBondContact CA-O 2.96Å
526	K	96.6	Very high	81.9	Confident	31 Å²	31	37.9 Å²	37.9	14%	0.135	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	130.1	170.7	-167.9	75.8	-168.6	-164.8	0	110.8	D425 A535 L567 E568 Y569	D425-K526 WeakPolarHBondContact OD2-CA 3.37Å; D425-K526 WeakPolarHBondContact OD2-CD 3.25Å; K526-A535 PolarHBondContact N-O 3.45Å; K526-A535 PolarHBondContact O-N 2.92Å; K526-L567 HydrophobicContact CB-CB 3.99Å; K526-L567 WeakPolarHBondContact CD-O 3.5Å; K526-E568 WeakPolarHBondContact CD-OE2 3.32Å; K526-E568 VanDerWaalsContact CE-OE2 3.26Å; K526-E568 WeakPolarHBondContact CE-OE2 3.3Å; K526-E568 IonicContact NZ-OE1 3.53Å; K526-E568 PolarHBondContact NZ-OE1 2.8Å; K526-E568 VanDerWaalsContact NZ-OE1 3.14Å; K526-E568 IonicContact NZ-OE2 2.89Å; K526-E568 PolarHBondContact NZ-OE2 2.8Å; K526-Y569 HydrophobicContact CB-CD2 4.27Å; K526-Y569 HydrophobicContact CB-CE2 4.49Å; K526-Y569 HydrophobicContact CG-CD2 3.81Å; K526-Y569 HydrophobicContact CG-CE2 4.48Å
527	V	93.4	Very high	84.8	Confident	7 Å²	7	32 Å²	32	4%	0.042	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	143.9	170.3	-174.2	0	0	0	0	109.2	D425 V447 L534	D425-V527 HydrophobicContact CB-CG2 4.46Å; D425-V527 PolarHBondContact OD2-N 3.01Å; V447-V527 HydrophobicContact CG2-CG2 4.22Å; V527-L534 HydrophobicContact CG2-CD1 4.18Å
528	S	91.5	Very high	87.6	Confident	5 Å²	5	28.6 Å²	28.6	4%	0.035	15%	0.15	C	C	.	.			trans	-72.3	149.2	176.1	63.8	0	0	0	0	111.7	D530 C531 H532 H533	S528-D530 VanDerWaalsContact CB-OD1 3.25Å; S528-D530 WeakPolarHBondContact CB-OD1 3.45Å; S528-D530 PolarHBondContact O-N 2.95Å; S528-D530 VanDerWaalsContact O-N 3.13Å; S528-D530 PolarHBondContact OG-OD1 2.68Å; S528-C531 WeakPolarHBondContact O-CA 3.46Å; S528-C531 PolarHBondContact O-N 2.9Å; S528-H532 PolarHBondContact OG-N 2.81Å; S528-H533 WeakPolarHBondContact CB-O 3.37Å; S528-H533 PolarHBondContact N-O 3.23Å; S528-H533 PolarHBondContact OG-N 3.14Å; S528-H533 PolarHBondContact OG-O 2.78Å; S528-H533 VanDerWaalsContact OG-O 3.14Å
529	P	85.5	Confident	89.5	Confident	38 Å²	38	27.7 Å²	27.7	25%	0.247	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-17.3	-175.6	-25.3	37.3	0	0	0	115.4	V430 P571	V430-P529 PolarHBondContact N-O 3.26Å; P529-P571 HydrophobicContact CB-CB 4.41Å; P529-P571 HydrophobicContact CG-CB 4.11Å
530	D	79	Confident	91.1	Very high	68 Å²	68	24.3 Å²	24.3	36%	0.364	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-8.3	172.2	56.2	19.7	0	0	0	113.3	S528 H532	S528-D530 VanDerWaalsContact CB-OD1 3.25Å; S528-D530 WeakPolarHBondContact CB-OD1 3.45Å; S528-D530 PolarHBondContact O-N 2.95Å; S528-D530 VanDerWaalsContact O-N 3.13Å; S528-D530 PolarHBondContact OG-OD1 2.68Å; D530-H532 VanDerWaalsContact C-N 3.3Å; D530-H532 PolarHBondContact O-N 2.82Å; D530-H532 PolarHBondContact OD1-N 3.13Å
531	C	83.5	Confident	92.1	Very high	13 Å²	13	22 Å²	22	9%	0.088	11%	0.111	C	C	.	.	S	Bend	trans	59.5	26.6	-174.8	-64.2	0	0	0	0	115.6	F428 S528 M548	F428-C531 PolarHBondContact N-SG 3.36Å; F428-C531 VanDerWaalsContact N-SG 3.41Å; S528-C531 WeakPolarHBondContact O-CA 3.46Å; S528-C531 PolarHBondContact O-N 2.9Å; C531-M548 WeakPolarHBondContact O-CB 3.43Å; C531-M548 WeakPolarHBondContact O-CG 3.48Å
532	H	85.4	Confident	92.4	Very high	92 Å²	92	23.2 Å²	23.2	43%	0.426	12%	0.118	S	C	.	.	S	Bend	trans	-91.4	-20.5	170.6	-74.8	-79.2	0	0	0	114.5	S528 D530 M548 E549	S528-H532 PolarHBondContact OG-N 2.81Å; D530-H532 VanDerWaalsContact C-N 3.3Å; D530-H532 PolarHBondContact O-N 2.82Å; D530-H532 PolarHBondContact OD1-N 3.13Å; H532-M548 PolarHBondContact O-N 3.47Å; H532-E549 IonicContact CE1-OE1 3.39Å; H532-E549 PolarHBondContact CE1-OE1 2.96Å; H532-E549 IonicContact ND1-OE1 3.83Å; H532-E549 PolarHBondContact ND1-OE1 3.25Å
533	H	91.7	Very high	92.5	Very high	43 Å²	43	23.1 Å²	23.1	20%	0.199	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	147.7	-177.4	-61.6	136.4	0	0	0	113.2	S528 I545 Y546 L554 Y595	S528-H533 WeakPolarHBondContact CB-O 3.37Å; S528-H533 PolarHBondContact N-O 3.23Å; S528-H533 PolarHBondContact OG-N 3.14Å; S528-H533 PolarHBondContact OG-O 2.78Å; S528-H533 VanDerWaalsContact OG-O 3.14Å; H533-I545 HydrophobicContact CB-CG2 4.32Å; H533-Y546 CarbonylContact C-O 3.59Å; H533-Y546 WeakPolarHBondContact CA-O 3.43Å; H533-L554 VanDerWaalsContact CD2-CD1 3.45Å; H533-L554 WeakPolarHBondContact CD2-CD1 3.21Å; H533-Y595 PolarHBondContact ND1-OH 3.44Å; H533-Y595 VanDerWaalsContact ND1-OH 3.08Å
534	L	94.5	Very high	92.6	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	115.4	169.9	165.9	62.1	0	0	0	108.8	V447 I455 I489 I525 V527 I545 Y546 M548	V447-L534 HydrophobicContact CG1-CD1 4.41Å; V447-L534 HydrophobicContact CG1-CD2 4.21Å; I455-L534 HydrophobicContact CG2-CD2 4.26Å; I489-L534 HydrophobicContact CD1-CD2 4.25Å; I525-L534 HydrophobicContact CB-CD1 4.33Å; I525-L534 HydrophobicContact CG2-CD1 4.4Å; V527-L534 HydrophobicContact CG2-CD1 4.18Å; L534-I545 WeakPolarHBondContact O-CA 3.48Å; L534-Y546 PolarHBondContact N-O 3.08Å; L534-Y546 PolarHBondContact O-N 3.5Å; L534-M548 HydrophobicContact CB-CG 4.3Å; L534-M548 HydrophobicContact CB-SD 3.65Å; L534-M548 HydrophobicContact CD2-SD 4.34Å
535	A	97.2	Very high	92.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	141.3	170.2	0	0	0	0	0	110.3	I525 K526 R544 I545 L567 Y569 L577	I525-A535 CarbonylContact C-O 3.5Å; I525-A535 VanDerWaalsContact CA-O 3.25Å; I525-A535 WeakPolarHBondContact CA-O 2.96Å; K526-A535 PolarHBondContact N-O 3.45Å; K526-A535 PolarHBondContact O-N 2.92Å; A535-R544 CarbonylContact C-O 3.59Å; A535-R544 WeakPolarHBondContact CA-O 3.13Å; A535-I545 HydrophobicContact CB-CD1 3.67Å; A535-L567 HydrophobicContact CB-CD1 4.09Å; A535-Y569 HydrophobicContact CB-CE2 3.81Å; A535-L577 HydrophobicContact CB-CD2 4.02Å
536	S	97.3	Very high	92.5	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.014	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	150.4	169.5	72.5	0	0	0	0	110.8	I455 S524 I543 R544 L567	I455-S536 VanDerWaalsContact CD1-CB 3.45Å; S524-S536 CarbonylContact O-C 3.59Å; S524-S536 WeakPolarHBondContact O-CA 3.42Å; S536-I543 CarbonylContact O-C 3.59Å; S536-I543 VanDerWaalsContact O-CA 3.24Å; S536-I543 WeakPolarHBondContact O-CA 3.36Å; S536-R544 PolarHBondContact N-O 2.82Å; S536-R544 PolarHBondContact O-N 3.09Å; S536-L567 VanDerWaalsContact C-CD1 3.41Å
537	G	96.7	Very high	92.2	Very high	1 Å²	1	22 Å²	22	1%	0.01	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	131.6	-178.2	0	0	0	0	0	110.6	R523 S524 N542	R523-G537 WeakPolarHBondContact CA-O 3.3Å; R523-G537 PolarHBondContact N-O 2.99Å; S524-G537 PolarHBondContact N-O 3.19Å; S524-G537 PolarHBondContact O-N 3.05Å; G537-N542 WeakPolarHBondContact CA-O 3.46Å
538	D	94.2	Very high	91.8	Very high	8 Å²	8	22 Å²	22	4%	0.043	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-175.9	-174.7	76	23.8	0	0	0	114.1	N540 G541 N542 R544 V564	D538-N540 WeakPolarHBondContact OD1-CA 3.3Å; D538-N540 WeakPolarHBondContact OD1-CB 3.26Å; D538-N540 PolarHBondContact OD1-N 2.88Å; D538-G541 PolarHBondContact OD1-N 3.04Å; D538-N542 PolarHBondContact N-O 2.84Å; D538-N542 PolarHBondContact OD1-N 2.85Å; D538-N542 PolarHBondContact OD1-ND2 2.74Å; D538-N542 WeakPolarHBondContact OD2-CB 3.32Å; D538-N542 PolarHBondContact OD2-ND2 3.31Å; D538-R544 IonicContact OD2-CZ 2.64Å; D538-R544 IonicContact OD2-NH1 3.14Å; D538-R544 PolarHBondContact OD2-NH1 2.87Å; D538-R544 IonicContact OD2-NH2 2.7Å; D538-V564 PolarHBondContact O-N 2.89Å
539	R	91.8	Very high	91.2	Very high	20 Å²	20	27.8 Å²	27.8	8%	0.075	14%	0.139	C	C	.	.	S	Bend	trans	-82.4	-16.3	178.8	-82	158.8	173.1	-91.7	-0.9	115	G518 R519 S520 G521 R523 D563	G518-R539 PolarHBondContact O-NH1 2.87Å; R519-R539 CarbonylContact O-C 3.6Å; R519-R539 WeakPolarHBondContact O-CB 3.45Å; S520-R539 WeakPolarHBondContact O-CD 3.24Å; G521-R539 WeakPolarHBondContact O-CD 3.08Å; G521-R539 WeakPolarHBondContact O-CG 3.43Å; G521-R539 PolarHBondContact O-N 3.11Å; R523-R539 HydrophobicContact CB-CG 4.3Å; R539-D563 PolarHBondContact O-N 3.27Å
540	N	91.2	Very high	90.9	Very high	78 Å²	78	28.9 Å²	28.9	42%	0.417	14%	0.143	S	C	.	.	S	Bend	trans	-83.8	-18.1	173.8	-69	-57	0	0	0	111.9	R519 D538	R519-N540 WeakPolarHBondContact CB-OD1 3.4Å; R519-N540 VanDerWaalsContact O-CG 3.26Å; R519-N540 PolarHBondContact O-N 2.95Å; R519-N540 PolarHBondContact O-ND2 2.87Å; R519-N540 VanDerWaalsContact O-ND2 3.16Å; R519-N540 PolarHBondContact O-OD1 3.47Å; D538-N540 WeakPolarHBondContact OD1-CA 3.3Å; D538-N540 WeakPolarHBondContact OD1-CB 3.26Å; D538-N540 PolarHBondContact OD1-N 2.88Å
541	G	93.1	Very high	91.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	104.8	9	-178.9	0	0	0	0	0	114.4	D538 A559 H560 G562	D538-G541 PolarHBondContact OD1-N 3.04Å; G541-A559 PolarHBondContact O-N 2.92Å; G541-H560 WeakPolarHBondContact CA-O 3.37Å; G541-H560 PolarHBondContact O-N 3.31Å; G541-G562 WeakPolarHBondContact CA-O 3.43Å
542	N	95.1	Very high	91.5	Very high	25 Å²	25	28 Å²	28	13%	0.134	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	149	175.7	-44.6	-68.9	0	0	0	111	G537 D538 R544 L557	G537-N542 WeakPolarHBondContact CA-O 3.46Å; D538-N542 PolarHBondContact N-O 2.84Å; D538-N542 PolarHBondContact OD1-N 2.85Å; D538-N542 PolarHBondContact OD1-ND2 2.74Å; D538-N542 WeakPolarHBondContact OD2-CB 3.32Å; D538-N542 PolarHBondContact OD2-ND2 3.31Å; N542-R544 PolarHBondContact ND2-NH2 3.09Å; N542-L557 CarbonylContact C-O 3.54Å; N542-L557 VanDerWaalsContact CA-O 3.27Å; N542-L557 WeakPolarHBondContact CA-O 3.4Å
543	I	96.7	Very high	91.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	121.7	171.9	-58.5	171.2	0	0	0	108.5	S536 I545 L557 A559 V564 L567 L589	S536-I543 CarbonylContact O-C 3.59Å; S536-I543 VanDerWaalsContact O-CA 3.24Å; S536-I543 WeakPolarHBondContact O-CA 3.36Å; I543-I545 HydrophobicContact CG2-CD1 4Å; I543-L557 HydrophobicContact CB-CB 4.32Å; I543-L557 PolarHBondContact N-O 3Å; I543-L557 WeakPolarHBondContact O-CB 3.36Å; I543-L557 PolarHBondContact O-N 2.98Å; I543-A559 HydrophobicContact CD1-CB 3.49Å; I543-A559 VanDerWaalsContact CD1-CB 3.49Å; I543-A559 HydrophobicContact CG1-CB 3.9Å; I543-V564 HydrophobicContact CG1-CG1 4.41Å; I543-V564 HydrophobicContact CG1-CG2 4.27Å; I543-L567 HydrophobicContact CD1-CD2 4.01Å; I543-L567 HydrophobicContact CG1-CD2 4.31Å; I543-L567 HydrophobicContact CG2-CD2 4.13Å; I543-L589 HydrophobicContact CD1-CD1 4.48Å
544	R	96.3	Very high	91.9	Very high	34 Å²	34	29.1 Å²	29.1	13%	0.128	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	132	178	-70	177.3	-174.7	83.6	26.1	110.4	A535 S536 D538 N542 Y546 L553 H555 D556	A535-R544 CarbonylContact C-O 3.59Å; A535-R544 WeakPolarHBondContact CA-O 3.13Å; S536-R544 PolarHBondContact N-O 2.82Å; S536-R544 PolarHBondContact O-N 3.09Å; D538-R544 IonicContact OD2-CZ 2.64Å; D538-R544 IonicContact OD2-NH1 3.14Å; D538-R544 PolarHBondContact OD2-NH1 2.87Å; D538-R544 IonicContact OD2-NH2 2.7Å; N542-R544 PolarHBondContact ND2-NH2 3.09Å; R544-Y546 HydrophobicContact CB-CE2 3.7Å; R544-L553 HydrophobicContact CB-CD1 3.78Å; R544-L553 HydrophobicContact CG-CD1 4.05Å; R544-H555 CarbonylContact C-O 3.52Å; R544-H555 WeakPolarHBondContact CA-O 3.5Å; R544-D556 HydrophobicContact CG-CB 4.14Å; R544-D556 WeakPolarHBondContact CG-OD1 3.32Å; R544-D556 IonicContact CZ-OD1 2.88Å; R544-D556 IonicContact CZ-OD2 2.93Å; R544-D556 VanDerWaalsContact CZ-OD2 3.24Å; R544-D556 IonicContact NE-OD1 2.78Å; R544-D556 PolarHBondContact NE-OD1 3.03Å; R544-D556 IonicContact NE-OD2 2.68Å; R544-D556 PolarHBondContact NE-OD2 2.97Å; R544-D556 IonicContact NH2-OD1 3.38Å; R544-D556 PolarHBondContact NH2-OD1 2.7Å; R544-D556 IonicContact NH2-OD2 2.9Å; R544-D556 PolarHBondContact NH2-OD2 3.42Å
545	I	96.7	Very high	91.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125.8	177.8	-50.7	-58.5	0	0	0	108.6	H533 L534 A535 I543 L554 H555 L577 Y595	H533-I545 HydrophobicContact CB-CG2 4.32Å; L534-I545 WeakPolarHBondContact O-CA 3.48Å; A535-I545 HydrophobicContact CB-CD1 3.67Å; I543-I545 HydrophobicContact CG2-CD1 4Å; I545-L554 HydrophobicContact CG2-CB 4.47Å; I545-L554 HydrophobicContact CG2-CD1 4.39Å; I545-L554 PolarHBondContact O-N 2.86Å; I545-H555 HydrophobicContact CB-CB 4.13Å; I545-H555 HydrophobicContact CG1-CB 4.08Å; I545-H555 PolarHBondContact N-O 2.69Å; I545-H555 PolarHBondContact O-N 3.18Å; I545-L577 HydrophobicContact CD1-CD2 3.94Å; I545-Y595 HydrophobicContact CB-CE2 4.32Å; I545-Y595 HydrophobicContact CD1-CD1 3.96Å; I545-Y595 HydrophobicContact CD1-CE1 3.64Å; I545-Y595 HydrophobicContact CG1-CD1 4.02Å; I545-Y595 HydrophobicContact CG1-CD2 4.1Å; I545-Y595 HydrophobicContact CG1-CE1 3.89Å; I545-Y595 HydrophobicContact CG1-CE2 4.01Å; I545-Y595 HydrophobicContact CG1-CG 4.12Å; I545-Y595 HydrophobicContact CG2-CE1 4.34Å; I545-Y595 HydrophobicContact CG2-CE2 3.71Å; I545-Y595 WeakPolarHBondContact CG2-OH 3.49Å
546	Y	94.3	Very high	91.8	Very high	11 Å²	11	35 Å²	35	4%	0.043	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	146.8	176.5	-58.3	-92.3	0	0	0	111.2	I455 I489 C491 H533 L534 R544 S552 L553	I455-Y546 HydrophobicContact CD1-CE2 4.03Å; I489-Y546 HydrophobicContact CD1-CD1 4.24Å; I489-Y546 HydrophobicContact CD1-CE1 4.49Å; I489-Y546 HydrophobicContact CD1-CG 4.28Å; I489-Y546 HydrophobicContact CG2-CD1 4.35Å; I489-Y546 HydrophobicContact CG2-CE1 3.64Å; C491-Y546 PolarHBondContact SG-OH 3.43Å; H533-Y546 CarbonylContact C-O 3.59Å; H533-Y546 WeakPolarHBondContact CA-O 3.43Å; L534-Y546 PolarHBondContact N-O 3.08Å; L534-Y546 PolarHBondContact O-N 3.5Å; R544-Y546 HydrophobicContact CB-CE2 3.7Å; Y546-S552 CarbonylContact C-O 3.54Å; Y546-S552 VanDerWaalsContact CA-O 3.22Å; Y546-S552 WeakPolarHBondContact CA-O 3.33Å; Y546-L553 HydrophobicContact CD1-CB 4.16Å; Y546-L553 HydrophobicContact CD1-CD1 4.13Å; Y546-L553 HydrophobicContact CE1-CB 4.03Å; Y546-L553 HydrophobicContact CE1-CD1 3.72Å; Y546-L553 HydrophobicContact CE1-CG 4.47Å; Y546-L553 HydrophobicContact CE2-CD1 4.33Å
547	S	90.4	Very high	91.7	Very high	16 Å²	16	36.9 Å²	36.9	11%	0.112	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	131.2	166.9	173.5	0	0	0	0	110	E549 L551 S552	S547-E549 VanDerWaalsContact C-N 3.25Å; S547-E549 PolarHBondContact O-N 3.07Å; S547-E549 PolarHBondContact OG-N 3.21Å; S547-L551 WeakPolarHBondContact O-CA 3.28Å; S547-L551 WeakPolarHBondContact O-CD2 3.41Å; S547-L551 PolarHBondContact O-N 3.21Å; S547-S552 PolarHBondContact N-O 3.42Å
548	M	85.4	Confident	91.5	Very high	7 Å²	7	45.5 Å²	45.5	3%	0.034	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-8.6	175.2	-74.7	-64	-63.3	0	0	113.8	I441 L475 C531 H532 L534 L551	I441-M548 HydrophobicContact CD1-CE 3.71Å; L475-M548 WeakPolarHBondContact CD1-O 2.9Å; C531-M548 WeakPolarHBondContact O-CB 3.43Å; C531-M548 WeakPolarHBondContact O-CG 3.48Å; H532-M548 PolarHBondContact O-N 3.47Å; L534-M548 HydrophobicContact CB-CG 4.3Å; L534-M548 HydrophobicContact CB-SD 3.65Å; L534-M548 HydrophobicContact CD2-SD 4.34Å; M548-L551 HydrophobicContact SD-CD2 3.92Å
549	E	78.2	Confident	91.5	Very high	126 Å²	126	46.3 Å²	46.3	59%	0.589	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-36.1	-179.9	-64.7	179.4	-168	0	0	112.6	H532 S547	H532-E549 IonicContact CE1-OE1 3.39Å; H532-E549 PolarHBondContact CE1-OE1 2.96Å; H532-E549 IonicContact ND1-OE1 3.83Å; H532-E549 PolarHBondContact ND1-OE1 3.25Å; S547-E549 VanDerWaalsContact C-N 3.25Å; S547-E549 PolarHBondContact O-N 3.07Å; S547-E549 PolarHBondContact OG-N 3.21Å
550	D	79.1	Confident	91.7	Very high	61 Å²	61	46.1 Å²	46.1	33%	0.326	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138.5	-0.9	179.8	75.4	-14.9	0	0	0	114.8	R473 S552	R473-D550 IonicContact NH1-OD2 3.66Å; D550-S552 PolarHBondContact O-N 2.8Å; D550-S552 WeakPolarHBondContact OD1-CB 3.48Å; D550-S552 PolarHBondContact OD1-N 3.35Å; D550-S552 PolarHBondContact OD1-OG 2.91Å
551	L	85.7	Confident	91.8	Very high	16 Å²	16	49.9 Å²	49.9	8%	0.084	26%	0.258	C	S	.	.			trans	61.2	24.6	-178.8	-55.3	166.5	0	0	0	113.9	I457 L475 K487 I489 S547 M548	I457-L551 HydrophobicContact CD1-CD1 3.48Å; I457-L551 VanDerWaalsContact CD1-CD1 3.48Å; I457-L551 HydrophobicContact CD1-CD2 3.88Å; I457-L551 HydrophobicContact CD1-CG 4.36Å; L475-L551 HydrophobicContact CD1-CD1 3.95Å; L475-L551 HydrophobicContact CD1-CG 4.26Å; L475-L551 HydrophobicContact CD2-CD1 3.5Å; L475-L551 HydrophobicContact CD2-CG 4.11Å; L475-L551 HydrophobicContact CG-CD1 4.4Å; K487-L551 HydrophobicContact CB-CD1 4.09Å; K487-L551 HydrophobicContact CD-CD1 4.46Å; K487-L551 HydrophobicContact CG-CD1 3.69Å; I489-L551 HydrophobicContact CD1-CB 4.26Å; I489-L551 HydrophobicContact CD1-CD2 4.24Å; S547-L551 WeakPolarHBondContact O-CA 3.28Å; S547-L551 WeakPolarHBondContact O-CD2 3.41Å; S547-L551 PolarHBondContact O-N 3.21Å; M548-L551 HydrophobicContact SD-CD2 3.92Å
552	S	89.3	Confident	91.7	Very high	47 Å²	47	50.5 Å²	50.5	33%	0.329	27%	0.265	S	S	.	.			trans	-65.5	143.9	164.7	59.9	0	0	0	0	111.7	Y546 S547 D550 L554	Y546-S552 CarbonylContact C-O 3.54Å; Y546-S552 VanDerWaalsContact CA-O 3.22Å; Y546-S552 WeakPolarHBondContact CA-O 3.33Å; S547-S552 PolarHBondContact N-O 3.42Å; D550-S552 PolarHBondContact O-N 2.8Å; D550-S552 WeakPolarHBondContact OD1-CB 3.48Å; D550-S552 PolarHBondContact OD1-N 3.35Å; D550-S552 PolarHBondContact OD1-OG 2.91Å; S552-L554 PolarHBondContact O-N 2.82Å
553	L	93.7	Very high	91.6	Very high	88 Å²	88	50.3 Å²	50.3	46%	0.461	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	118.3	173	-179.1	71.1	0	0	0	109.4	R544 Y546 H555 D556	R544-L553 HydrophobicContact CB-CD1 3.78Å; R544-L553 HydrophobicContact CG-CD1 4.05Å; Y546-L553 HydrophobicContact CD1-CB 4.16Å; Y546-L553 HydrophobicContact CD1-CD1 4.13Å; Y546-L553 HydrophobicContact CE1-CB 4.03Å; Y546-L553 HydrophobicContact CE1-CD1 3.72Å; Y546-L553 HydrophobicContact CE1-CG 4.47Å; Y546-L553 HydrophobicContact CE2-CD1 4.33Å; L553-H555 WeakPolarHBondContact CD1-O 3.38Å; L553-D556 HydrophobicContact CD2-CB 4.44Å
554	L	93.7	Very high	91.6	Very high	71 Å²	71	50.3 Å²	50.3	37%	0.372	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-42.4	178.7	-61	176.8	0	0	0	111.8	H533 I545 S552	H533-L554 VanDerWaalsContact CD2-CD1 3.45Å; H533-L554 WeakPolarHBondContact CD2-CD1 3.21Å; I545-L554 HydrophobicContact CG2-CB 4.47Å; I545-L554 HydrophobicContact CG2-CD1 4.39Å; I545-L554 PolarHBondContact O-N 2.86Å; S552-L554 PolarHBondContact O-N 2.82Å
555	H	94	Very high	91.6	Very high	48 Å²	48	50.1 Å²	50.1	22%	0.222	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	140.8	-177.8	-57.5	-73.4	0	0	0	111	R544 I545 L553 L557 Y595	R544-H555 CarbonylContact C-O 3.52Å; R544-H555 WeakPolarHBondContact CA-O 3.5Å; I545-H555 HydrophobicContact CB-CB 4.13Å; I545-H555 HydrophobicContact CG1-CB 4.08Å; I545-H555 PolarHBondContact N-O 2.69Å; I545-H555 PolarHBondContact O-N 3.18Å; L553-H555 WeakPolarHBondContact CD1-O 3.38Å; H555-L557 HydrophobicContact CB-CD2 4.15Å; H555-L557 HydrophobicContact CB-CG 4.17Å; H555-Y595 AromaticContact CD2-CD2 3.37Å; H555-Y595 WeakPolarHBondContact CD2-CD2 3.23Å; H555-Y595 AromaticContact CD2-CE2 3.73Å; H555-Y595 AromaticContact NE2-CD2 3.77Å
556	D	94.5	Very high	91.6	Very high	77 Å²	77	50.8 Å²	50.8	41%	0.412	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	121.6	162.9	-165.2	-10.7	0	0	0	107.4	R544 L553	R544-D556 HydrophobicContact CG-CB 4.14Å; R544-D556 WeakPolarHBondContact CG-OD1 3.32Å; R544-D556 IonicContact CZ-OD1 2.88Å; R544-D556 IonicContact CZ-OD2 2.93Å; R544-D556 VanDerWaalsContact CZ-OD2 3.24Å; R544-D556 IonicContact NE-OD1 2.78Å; R544-D556 PolarHBondContact NE-OD1 3.03Å; R544-D556 IonicContact NE-OD2 2.68Å; R544-D556 PolarHBondContact NE-OD2 2.97Å; R544-D556 IonicContact NH2-OD1 3.38Å; R544-D556 PolarHBondContact NH2-OD1 2.7Å; R544-D556 IonicContact NH2-OD2 2.9Å; R544-D556 PolarHBondContact NH2-OD2 3.42Å; L553-D556 HydrophobicContact CD2-CB 4.44Å
557	L	94.8	Very high	91.8	Very high	40 Å²	40	50.5 Å²	50.5	21%	0.209	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	113.7	-165.6	-55.4	172.5	0	0	0	109.6	N542 I543 H555 A559 L589 Y595	N542-L557 CarbonylContact C-O 3.54Å; N542-L557 VanDerWaalsContact CA-O 3.27Å; N542-L557 WeakPolarHBondContact CA-O 3.4Å; I543-L557 HydrophobicContact CB-CB 4.32Å; I543-L557 PolarHBondContact N-O 3Å; I543-L557 WeakPolarHBondContact O-CB 3.36Å; I543-L557 PolarHBondContact O-N 2.98Å; H555-L557 HydrophobicContact CB-CD2 4.15Å; H555-L557 HydrophobicContact CB-CG 4.17Å; L557-A559 VanDerWaalsContact C-N 3.33Å; L557-A559 PolarHBondContact O-N 3.41Å; L557-L589 HydrophobicContact CD1-CD1 4.1Å; L557-Y595 HydrophobicContact CD1-CG 4.38Å
558	Q	93.8	Very high	92.1	Very high	183 Å²	183	51 Å²	51	86%	0.855	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	88.1	169.7	-68.7	-178.3	-14.8	0	0	108.8
559	A	93.1	Very high	92.5	Very high	25 Å²	25	51.1 Å²	51.1	21%	0.207	27%	0.27	C	S	.	.			trans	-100.4	-32.1	-168.2	0	0	0	0	0	113.9	G541 I543 L557 H587	G541-A559 PolarHBondContact O-N 2.92Å; I543-A559 HydrophobicContact CD1-CB 3.49Å; I543-A559 VanDerWaalsContact CD1-CB 3.49Å; I543-A559 HydrophobicContact CG1-CB 3.9Å; L557-A559 VanDerWaalsContact C-N 3.33Å; L557-A559 PolarHBondContact O-N 3.41Å; A559-H587 PolarHBondContact O-CD2 3.28Å; A559-H587 VanDerWaalsContact O-CD2 3.27Å; A559-H587 PolarHBondContact O-NE2 3.1Å
560	H	96	Very high	93.2	Very high	16 Å²	16	45.5 Å²	45.5	7%	0.074	24%	0.244	C	C	.	.			trans	-137.2	160.9	-167.8	-78.2	-67.8	0	0	0	112.4	G541 V564 S579 S581 D583 L585 H587	G541-H560 WeakPolarHBondContact CA-O 3.37Å; G541-H560 PolarHBondContact O-N 3.31Å; H560-V564 HydrophobicContact CB-CG2 4.42Å; H560-S579 PolarHBondContact NE2-OG 2.91Å; H560-S581 WeakPolarHBondContact CE1-CB 3.36Å; H560-S581 WeakPolarHBondContact ND1-CB 3.13Å; H560-D583 WeakPolarHBondContact CA-OD2 3.47Å; H560-D583 WeakPolarHBondContact CB-OD2 3.3Å; H560-D583 IonicContact CG-OD2 3.25Å; H560-D583 IonicContact ND1-OD1 2.77Å; H560-D583 PolarHBondContact ND1-OD1 3.33Å; H560-D583 IonicContact ND1-OD2 2.86Å; H560-D583 PolarHBondContact ND1-OD2 3Å; H560-L585 PolarHBondContact CE1-O 3.27Å; H560-H587 AromaticContact CE1-CD2 3.2Å; H560-H587 PolarHBondContact CE1-CD2 2.69Å; H560-H587 AromaticContact CE1-NE2 3.58Å; H560-H587 AromaticContact ND1-CD2 3.62Å; H560-H587 AromaticContact ND1-NE2 3.61Å; H560-H587 AromaticContact NE2-CD2 3.54Å
561	D	93.2	Very high	93.5	Very high	156 Å²	156	45.8 Å²	45.8	83%	0.834	25%	0.249	S	C	*	.	S	Bend	trans	-94.8	18.6	177.3	-80.1	-36.9	0	0	0	112.7	D583	D561-D583 HydrophobicContact CB-CB 4.25Å; D561-D583 PolarHBondContact N-OD2 2.82Å
562	G	91.2	Very high	93.4	Very high	13 Å²	13	48.2 Å²	48.2	13%	0.134	26%	0.258	C	S	.	.	S	Bend	trans	170.7	-169	-178	0	0	0	0	0	114	G541 V564 S581	G541-G562 WeakPolarHBondContact CA-O 3.43Å; G562-V564 PolarHBondContact O-N 2.81Å; G562-V564 VanDerWaalsContact O-N 3.16Å; G562-S581 PolarHBondContact O-OG 3.32Å
563	D	93.9	Very high	92.6	Very high	21 Å²	21	49.5 Å²	49.5	11%	0.112	28%	0.279	C	S	.	.			trans	-47.1	117.6	-166.9	-43.1	48.8	0	0	0	113.7	R523 R539 L565 S581 R582	R523-D563 HydrophobicContact CG-CB 4.43Å; R539-D563 PolarHBondContact O-N 3.27Å; D563-L565 HydrophobicContact CB-CD2 3.87Å; D563-L565 HydrophobicContact CB-CG 4.37Å; D563-L565 WeakPolarHBondContact O-CG 3.39Å; D563-L565 PolarHBondContact O-N 2.9Å; D563-L565 VanDerWaalsContact O-N 3.13Å; D563-S581 VanDerWaalsContact O-CA 3.31Å; D563-S581 WeakPolarHBondContact O-CA 3.32Å; D563-S581 PolarHBondContact O-OG 3.44Å; D563-R582 HydrophobicContact CB-CB 4.02Å; D563-R582 PolarHBondContact O-N 3.07Å; D563-R582 WeakPolarHBondContact OD1-CD 3.48Å; D563-R582 IonicContact OD1-CZ 2.66Å; D563-R582 IonicContact OD1-NE 2.75Å; D563-R582 IonicContact OD1-NH1 3.83Å; D563-R582 PolarHBondContact OD1-NH1 3.33Å; D563-R582 IonicContact OD2-NH1 3.91Å; D563-R582 PolarHBondContact OD2-NH1 2.85Å
564	V	97	Very high	91.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	100.8	170.4	-170.1	0	0	0	0	108.7	R523 S524 D538 I543 H560 G562 L567	R523-V564 VanDerWaalsContact CG-O 3.26Å; R523-V564 WeakPolarHBondContact CG-O 3.45Å; S524-V564 WeakPolarHBondContact CB-O 3.44Å; S524-V564 PolarHBondContact OG-O 2.65Å; D538-V564 PolarHBondContact O-N 2.89Å; I543-V564 HydrophobicContact CG1-CG1 4.41Å; I543-V564 HydrophobicContact CG1-CG2 4.27Å; H560-V564 HydrophobicContact CB-CG2 4.42Å; G562-V564 PolarHBondContact O-N 2.81Å; G562-V564 VanDerWaalsContact O-N 3.16Å; V564-L567 HydrophobicContact CG1-CD2 4.19Å; V564-L567 HydrophobicContact CG1-CG 4.12Å
565	L	95.9	Very high	91.1	Very high	30 Å²	30	45.6 Å²	45.6	16%	0.157	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-28.4	-170.5	-65	179.9	0	0	0	113.3	R523 D563 A580 R582 I608	R523-L565 HydrophobicContact CG-CD2 4.18Å; D563-L565 HydrophobicContact CB-CD2 3.87Å; D563-L565 HydrophobicContact CB-CG 4.37Å; D563-L565 WeakPolarHBondContact O-CG 3.39Å; D563-L565 PolarHBondContact O-N 2.9Å; D563-L565 VanDerWaalsContact O-N 3.13Å; L565-A580 PolarHBondContact N-O 3.25Å; L565-R582 HydrophobicContact CD1-CB 4.32Å; L565-I608 WeakPolarHBondContact CD1-O 3.35Å
566	C	97.1	Very high	91.1	Very high	15 Å²	15	43.8 Å²	43.8	10%	0.101	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	144.2	-179.6	-174.4	0	0	0	0	111.5	A580 V611	C566-A580 HydrophobicContact CB-CB 4.31Å; C566-A580 PolarHBondContact N-O 3Å; C566-A580 VanDerWaalsContact N-O 3.16Å; C566-A580 PolarHBondContact O-N 3.1Å; C566-V611 PolarHBondContact SG-N 2.86Å
567	L	97.6	Very high	91.1	Very high	5 Å²	5	40.1 Å²	40.1	3%	0.026	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	131.9	171.6	-73.3	166.2	0	0	0	107	K526 A535 S536 I543 V564 L577 A578	K526-L567 HydrophobicContact CB-CB 3.99Å; K526-L567 WeakPolarHBondContact CD-O 3.5Å; A535-L567 HydrophobicContact CB-CD1 4.09Å; S536-L567 VanDerWaalsContact C-CD1 3.41Å; I543-L567 HydrophobicContact CD1-CD2 4.01Å; I543-L567 HydrophobicContact CG1-CD2 4.31Å; I543-L567 HydrophobicContact CG2-CD2 4.13Å; V564-L567 HydrophobicContact CG1-CD2 4.19Å; V564-L567 HydrophobicContact CG1-CG 4.12Å; L567-L577 HydrophobicContact CB-CD1 4.47Å; L567-L577 HydrophobicContact CD2-CD1 4.36Å; L567-A578 WeakPolarHBondContact CA-O 3.31Å
568	E	96.5	Very high	91.2	Very high	26 Å²	26	38.2 Å²	38.2	12%	0.121	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	120.4	177.9	-164.9	77.5	173.4	0	0	110.4	K526 A578 V611 K612 F613	K526-E568 WeakPolarHBondContact CD-OE2 3.32Å; K526-E568 VanDerWaalsContact CE-OE2 3.26Å; K526-E568 WeakPolarHBondContact CE-OE2 3.3Å; K526-E568 IonicContact NZ-OE1 3.53Å; K526-E568 PolarHBondContact NZ-OE1 2.8Å; K526-E568 VanDerWaalsContact NZ-OE1 3.14Å; K526-E568 IonicContact NZ-OE2 2.89Å; K526-E568 PolarHBondContact NZ-OE2 2.8Å; E568-A578 PolarHBondContact N-O 3.47Å; E568-A578 PolarHBondContact O-N 2.84Å; E568-V611 WeakPolarHBondContact CB-O 3.31Å; E568-K612 HydrophobicContact CG-CD 4.38Å; E568-K612 WeakPolarHBondContact OE1-CD 3.4Å; E568-K612 IonicContact OE1-NZ 2.75Å; E568-K612 PolarHBondContact OE1-NZ 3.47Å; E568-F613 HydrophobicContact CG-CD2 4.46Å; E568-F613 VanDerWaalsContact O-CE2 3.3Å; E568-F613 WeakPolarHBondContact O-CE2 3.24Å
569	Y	94.9	Very high	91.4	Very high	9 Å²	9	29.5 Å²	29.5	4%	0.035	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	147.8	169.6	-76.6	-78.8	0	0	0	111	K526 A535 P571 L577 V591 Y595	K526-Y569 HydrophobicContact CB-CD2 4.27Å; K526-Y569 HydrophobicContact CB-CE2 4.49Å; K526-Y569 HydrophobicContact CG-CD2 3.81Å; K526-Y569 HydrophobicContact CG-CE2 4.48Å; A535-Y569 HydrophobicContact CB-CE2 3.81Å; Y569-P571 WeakPolarHBondContact O-CD 3.32Å; Y569-L577 HydrophobicContact CD1-CB 3.92Å; Y569-L577 HydrophobicContact CD1-CD1 4.02Å; Y569-L577 HydrophobicContact CD1-CG 4.43Å; Y569-L577 HydrophobicContact CD2-CD1 4.17Å; Y569-L577 HydrophobicContact CE1-CB 3.97Å; Y569-L577 HydrophobicContact CE1-CD1 4.16Å; Y569-L577 HydrophobicContact CE1-CD2 4.14Å; Y569-L577 HydrophobicContact CE1-CG 4.31Å; Y569-L577 HydrophobicContact CE2-CD1 4.3Å; Y569-L577 HydrophobicContact CG-CD1 4.04Å; Y569-V591 HydrophobicContact CD1-CG2 4.09Å; Y569-V591 HydrophobicContact CE1-CG2 3.89Å; Y569-Y595 HydrophobicContact CE1-CE1 4.01Å; Y569-Y595 PolarHBondContact OH-OH 3.3Å; Y569-Y595 VanDerWaalsContact OH-OH 3.13Å
570	C	92.7	Very high	91.6	Very high	9 Å²	9	28.3 Å²	28.3	6%	0.061	18%	0.18	C	C	.	.			trans	-79.1	117.6	173.7	-178.6	0	0	0	0	111.2	Y572 S574 L576 F613	C570-Y572 VanDerWaalsContact C-N 3.34Å; C570-Y572 PolarHBondContact O-N 3.04Å; C570-S574 PolarHBondContact SG-OG 2.85Å; C570-L576 HydrophobicContact CB-CB 3.98Å; C570-L576 WeakPolarHBondContact CB-O 3.43Å; C570-L576 PolarHBondContact N-O 3.32Å; C570-F613 HydrophobicContact CB-CB 4.28Å; C570-F613 HydrophobicContact CB-CD1 3.86Å; C570-F613 HydrophobicContact CB-CD2 3.87Å; C570-F613 HydrophobicContact CB-CE1 4.04Å; C570-F613 HydrophobicContact CB-CE2 4.07Å; C570-F613 HydrophobicContact CB-CG 3.76Å; C570-F613 HydrophobicContact CB-CZ 4.15Å
571	P	85.8	Confident	91.6	Very high	66 Å²	66	27.6 Å²	27.6	43%	0.429	18%	0.177	S	C	.	.	S	Bend	trans	-78.8	-12.1	-176.6	32.4	-35.8	0	0	0	114.6	P529 Y569 G573	P529-P571 HydrophobicContact CB-CB 4.41Å; P529-P571 HydrophobicContact CG-CB 4.11Å; Y569-P571 WeakPolarHBondContact O-CD 3.32Å; P571-G573 PolarHBondContact O-N 3.39Å; P571-G573 VanDerWaalsContact O-N 3.11Å
572	Y	83.4	Confident	91.7	Very high	68 Å²	68	24.1 Å²	24.1	27%	0.267	15%	0.152	S	C	.	.	S	Bend	trans	-85.5	27.9	-174.5	-43.7	-76.5	0	0	0	113.5	C570 S574 F613 V614 Q615 L620 E666	C570-Y572 VanDerWaalsContact C-N 3.34Å; C570-Y572 PolarHBondContact O-N 3.04Å; Y572-S574 PolarHBondContact O-N 2.84Å; Y572-S574 VanDerWaalsContact O-N 3.13Å; Y572-F613 HydrophobicContact CE2-CB 4.31Å; Y572-V614 WeakPolarHBondContact OH-CA 3.37Å; Y572-Q615 HydrophobicContact CD1-CB 3.68Å; Y572-Q615 HydrophobicContact CD2-CB 4.1Å; Y572-Q615 HydrophobicContact CE1-CB 3.71Å; Y572-Q615 HydrophobicContact CE2-CB 4.14Å; Y572-Q615 HydrophobicContact CG-CB 3.9Å; Y572-L620 HydrophobicContact CD2-CD1 3.61Å; Y572-L620 HydrophobicContact CE2-CD1 4.22Å; Y572-E666 WeakPolarHBondContact CE1-OE1 3.35Å; Y572-E666 PolarHBondContact OH-OE1 3.45Å; Y572-E666 PolarHBondContact OH-OE2 3.46Å; Y572-E666 VanDerWaalsContact OH-OE2 3.05Å
573	G	72.6	Confident	91.9	Very high	74 Å²	74	25.1 Å²	25.1	76%	0.763	15%	0.154	S	C	*	.	S	Bend	trans	66.8	9.5	176.7	0	0	0	0	0	115.9	P571 G575	P571-G573 PolarHBondContact O-N 3.39Å; P571-G573 VanDerWaalsContact O-N 3.11Å; G573-G575 PolarHBondContact O-N 2.89Å
574	S	71.4	Confident	92	Very high	52 Å²	52	30.7 Å²	30.7	36%	0.364	17%	0.174	S	C	.	.	S	Bend	trans	-79.9	2.4	-175.2	83.8	0	0	0	0	114.7	C570 Y572 L576	C570-S574 PolarHBondContact SG-OG 2.85Å; Y572-S574 PolarHBondContact O-N 2.84Å; Y572-S574 VanDerWaalsContact O-N 3.13Å; S574-L576 PolarHBondContact O-N 2.82Å; S574-L576 WeakPolarHBondContact OG-CG 3.3Å
575	G	84.4	Confident	92	Very high	24 Å²	24	33.1 Å²	33.1	25%	0.247	19%	0.187	C	C	.	.			trans	61.4	36.8	179	0	0	0	0	0	114.8	G573 D590 V591	G573-G575 PolarHBondContact O-N 2.89Å; G575-D590 CarbonylContact O-C 3.59Å; G575-V591 WeakPolarHBondContact O-CB 3.35Å; G575-V591 WeakPolarHBondContact O-CG2 3.14Å; G575-V591 PolarHBondContact O-N 2.96Å
576	L	92.8	Very high	92.1	Very high	11 Å²	11	31.7 Å²	31.7	6%	0.058	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	144.1	179.8	-61.2	178.6	0	0	0	112.6	C570 S574 V588 L589 D590 F613 L620 L636	C570-L576 HydrophobicContact CB-CB 3.98Å; C570-L576 WeakPolarHBondContact CB-O 3.43Å; C570-L576 PolarHBondContact N-O 3.32Å; S574-L576 PolarHBondContact O-N 2.82Å; S574-L576 WeakPolarHBondContact OG-CG 3.3Å; L576-V588 HydrophobicContact CB-CG1 4.27Å; L576-V588 HydrophobicContact CD1-CG1 4.11Å; L576-V588 HydrophobicContact CD2-CG1 4.11Å; L576-V588 HydrophobicContact CG-CG1 4.39Å; L576-L589 WeakPolarHBondContact CA-O 3.16Å; L576-D590 HydrophobicContact CD2-CB 4.5Å; L576-F613 HydrophobicContact CB-CE1 4.11Å; L576-F613 HydrophobicContact CB-CZ 3.81Å; L576-F613 HydrophobicContact CD1-CE1 4.06Å; L576-F613 HydrophobicContact CD1-CZ 4.47Å; L576-L620 HydrophobicContact CD1-CD2 4.1Å; L576-L636 HydrophobicContact CD1-CD1 4.23Å
577	L	95.3	Very high	92	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	135.1	166	171.9	60.6	0	0	0	108.4	A535 I545 L567 Y569 V588 L589 V591 Y595	A535-L577 HydrophobicContact CB-CD2 4.02Å; I545-L577 HydrophobicContact CD1-CD2 3.94Å; L567-L577 HydrophobicContact CB-CD1 4.47Å; L567-L577 HydrophobicContact CD2-CD1 4.36Å; Y569-L577 HydrophobicContact CD1-CB 3.92Å; Y569-L577 HydrophobicContact CD1-CD1 4.02Å; Y569-L577 HydrophobicContact CD1-CG 4.43Å; Y569-L577 HydrophobicContact CD2-CD1 4.17Å; Y569-L577 HydrophobicContact CE1-CB 3.97Å; Y569-L577 HydrophobicContact CE1-CD1 4.16Å; Y569-L577 HydrophobicContact CE1-CD2 4.14Å; Y569-L577 HydrophobicContact CE1-CG 4.31Å; Y569-L577 HydrophobicContact CE2-CD1 4.3Å; Y569-L577 HydrophobicContact CG-CD1 4.04Å; L577-V588 WeakPolarHBondContact O-CA 3.35Å; L577-L589 HydrophobicContact CB-CB 4.46Å; L577-L589 HydrophobicContact CD2-CD1 4.31Å; L577-L589 PolarHBondContact N-O 3.48Å; L577-L589 PolarHBondContact O-N 3.4Å; L577-V591 HydrophobicContact CB-CG2 4.12Å; L577-Y595 HydrophobicContact CB-CD1 4.5Å; L577-Y595 HydrophobicContact CB-CE1 4.38Å; L577-Y595 HydrophobicContact CD2-CD1 3.89Å; L577-Y595 HydrophobicContact CD2-CE1 3.74Å
578	A	96.6	Very high	91.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	133.1	170.6	0	0	0	0	0	110.5	L567 E568 L586 H587 V611 F613 L622	L567-A578 WeakPolarHBondContact CA-O 3.31Å; E568-A578 PolarHBondContact N-O 3.47Å; E568-A578 PolarHBondContact O-N 2.84Å; A578-L586 HydrophobicContact CB-CD2 4.14Å; A578-H587 WeakPolarHBondContact CA-O 3.31Å; A578-V611 HydrophobicContact CB-CG1 3.89Å; A578-F613 HydrophobicContact CB-CD2 4.48Å; A578-F613 HydrophobicContact CB-CE2 3.5Å; A578-F613 VanDerWaalsContact CB-CE2 3.5Å; A578-F613 HydrophobicContact CB-CZ 3.84Å; A578-L622 HydrophobicContact CB-CD1 4.21Å
579	S	97.6	Very high	91.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	148.8	169.6	69.6	0	0	0	0	110.9	H560 L586 H587	H560-S579 PolarHBondContact NE2-OG 2.91Å; S579-L586 CarbonylContact O-C 3.54Å; S579-L586 WeakPolarHBondContact O-CA 3.4Å; S579-L586 WeakPolarHBondContact O-CD2 3.12Å; S579-L586 VanDerWaalsContact O-CG 3.29Å; S579-L586 WeakPolarHBondContact O-CG 3.36Å; S579-H587 PolarHBondContact N-O 2.97Å; S579-H587 PolarHBondContact O-N 3.39Å; S579-H587 VanDerWaalsContact O-N 3.11Å
580	A	97.3	Very high	91.6	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	135.2	177.3	0	0	0	0	0	111.6	L565 C566 L586 I608 V611	L565-A580 PolarHBondContact N-O 3.25Å; C566-A580 HydrophobicContact CB-CB 4.31Å; C566-A580 PolarHBondContact N-O 3Å; C566-A580 VanDerWaalsContact N-O 3.16Å; C566-A580 PolarHBondContact O-N 3.1Å; A580-L586 HydrophobicContact CB-CG 4.42Å; A580-I608 HydrophobicContact CB-CB 3.95Å; A580-I608 HydrophobicContact CB-CG2 3.66Å; A580-V611 HydrophobicContact CB-CG2 3.47Å; A580-V611 VanDerWaalsContact CB-CG2 3.47Å
581	S	97.2	Very high	91.5	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	166.1	-166.7	169	0	0	0	0	114	H560 G562 D563 D583 R584 L585 I608	H560-S581 WeakPolarHBondContact CE1-CB 3.36Å; H560-S581 WeakPolarHBondContact ND1-CB 3.13Å; G562-S581 PolarHBondContact O-OG 3.32Å; D563-S581 VanDerWaalsContact O-CA 3.31Å; D563-S581 WeakPolarHBondContact O-CA 3.32Å; D563-S581 PolarHBondContact O-OG 3.44Å; S581-D583 WeakPolarHBondContact CB-OD1 3.03Å; S581-D583 PolarHBondContact O-N 3.14Å; S581-D583 PolarHBondContact OG-N 3.36Å; S581-D583 VanDerWaalsContact OG-N 3.12Å; S581-D583 PolarHBondContact OG-OD1 3.44Å; S581-D583 PolarHBondContact OG-OD2 3.08Å; S581-R584 PolarHBondContact O-N 2.86Å; S581-L585 PolarHBondContact N-O 3.14Å; S581-I608 PolarHBondContact O-N 3.03Å; S581-I608 VanDerWaalsContact O-N 3.14Å
582	R	95.4	Very high	91.6	Very high	83 Å²	83	33.3 Å²	33.3	31%	0.313	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-30.7	167.9	-169.1	178.7	-165.9	145.7	10.1	113.5	D563 L565 R584 S607	D563-R582 HydrophobicContact CB-CB 4.02Å; D563-R582 PolarHBondContact O-N 3.07Å; D563-R582 WeakPolarHBondContact OD1-CD 3.48Å; D563-R582 IonicContact OD1-CZ 2.66Å; D563-R582 IonicContact OD1-NE 2.75Å; D563-R582 IonicContact OD1-NH1 3.83Å; D563-R582 PolarHBondContact OD1-NH1 3.33Å; D563-R582 IonicContact OD2-NH1 3.91Å; D563-R582 PolarHBondContact OD2-NH1 2.85Å; L565-R582 HydrophobicContact CD1-CB 4.32Å; R582-R584 PolarHBondContact O-N 3.47Å; R582-R584 VanDerWaalsContact O-N 3.16Å; R582-S607 WeakPolarHBondContact CA-OG 3.49Å; R582-S607 VanDerWaalsContact CG-OG 3.31Å; R582-S607 WeakPolarHBondContact CG-OG 3.48Å; R582-S607 PolarHBondContact O-OG 2.9Å
583	D	95.2	Very high	91.8	Very high	35 Å²	35	34.1 Å²	34.1	19%	0.187	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-8.5	-179.2	63.6	20.5	0	0	0	114.6	H560 D561 S581 L585	H560-D583 WeakPolarHBondContact CA-OD2 3.47Å; H560-D583 WeakPolarHBondContact CB-OD2 3.3Å; H560-D583 IonicContact CG-OD2 3.25Å; H560-D583 IonicContact ND1-OD1 2.77Å; H560-D583 PolarHBondContact ND1-OD1 3.33Å; H560-D583 IonicContact ND1-OD2 2.86Å; H560-D583 PolarHBondContact ND1-OD2 3Å; D561-D583 HydrophobicContact CB-CB 4.25Å; D561-D583 PolarHBondContact N-OD2 2.82Å; S581-D583 WeakPolarHBondContact CB-OD1 3.03Å; S581-D583 PolarHBondContact O-N 3.14Å; S581-D583 PolarHBondContact OG-N 3.36Å; S581-D583 VanDerWaalsContact OG-N 3.12Å; S581-D583 PolarHBondContact OG-OD1 3.44Å; S581-D583 PolarHBondContact OG-OD2 3.08Å; D583-L585 WeakPolarHBondContact OD1-CA 3.09Å; D583-L585 WeakPolarHBondContact OD1-CB 3.46Å; D583-L585 PolarHBondContact OD1-N 3.34Å
584	R	96.4	Very high	92.6	Very high	138 Å²	138	37.5 Å²	37.5	52%	0.521	19%	0.19	S	C	.	.	S	Bend	trans	85.9	2.7	-179.9	-45.1	160.5	-168.3	168.1	5.5	114.8	S581 R582 I608	S581-R584 PolarHBondContact O-N 2.86Å; R582-R584 PolarHBondContact O-N 3.47Å; R582-R584 VanDerWaalsContact O-N 3.16Å; R584-I608 WeakPolarHBondContact O-CD1 3.47Å
585	L	96.9	Very high	93.6	Very high	51 Å²	51	35.3 Å²	35.3	27%	0.267	17%	0.173	S	C	.	.			trans	-93	152.8	176.2	-55.4	-179.8	0	0	0	111.6	H560 S581 D583 T600 D602	H560-L585 PolarHBondContact CE1-O 3.27Å; S581-L585 PolarHBondContact N-O 3.14Å; D583-L585 WeakPolarHBondContact OD1-CA 3.09Å; D583-L585 WeakPolarHBondContact OD1-CB 3.46Å; D583-L585 PolarHBondContact OD1-N 3.34Å; L585-T600 HydrophobicContact CB-CG2 4.49Å; L585-T600 HydrophobicContact CD1-CG2 4.4Å; L585-T600 HydrophobicContact CD2-CG2 4.15Å; L585-D602 HydrophobicContact CD2-CB 4Å
586	L	96.4	Very high	93.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	123.5	168	-173.1	-178.8	0	0	0	107.4	A578 S579 A580 V588 I601 I608 V611 L622	A578-L586 HydrophobicContact CB-CD2 4.14Å; S579-L586 CarbonylContact O-C 3.54Å; S579-L586 WeakPolarHBondContact O-CA 3.4Å; S579-L586 WeakPolarHBondContact O-CD2 3.12Å; S579-L586 VanDerWaalsContact O-CG 3.29Å; S579-L586 WeakPolarHBondContact O-CG 3.36Å; A580-L586 HydrophobicContact CB-CG 4.42Å; L586-V588 HydrophobicContact CD2-CG2 3.92Å; L586-I601 HydrophobicContact CB-CB 4.28Å; L586-I601 HydrophobicContact CD2-CD1 4.25Å; L586-I601 PolarHBondContact N-O 3.14Å; L586-I601 PolarHBondContact O-N 3.32Å; L586-I608 HydrophobicContact CB-CD1 3.83Å; L586-V611 HydrophobicContact CD1-CG1 4.18Å; L586-V611 HydrophobicContact CD1-CG2 3.74Å; L586-V611 HydrophobicContact CG-CG2 4.16Å; L586-L622 HydrophobicContact CD1-CD2 4.1Å; L586-L622 HydrophobicContact CD2-CD2 4.1Å
587	H	95.7	Very high	93.7	Very high	19 Å²	19	43.7 Å²	43.7	9%	0.088	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	140.3	173.7	-56.9	-69.2	0	0	0	110.7	A559 H560 A578 S579 L589 C599 T600	A559-H587 PolarHBondContact O-CD2 3.28Å; A559-H587 VanDerWaalsContact O-CD2 3.27Å; A559-H587 PolarHBondContact O-NE2 3.1Å; H560-H587 AromaticContact CE1-CD2 3.2Å; H560-H587 PolarHBondContact CE1-CD2 2.69Å; H560-H587 AromaticContact CE1-NE2 3.58Å; H560-H587 AromaticContact ND1-CD2 3.62Å; H560-H587 AromaticContact ND1-NE2 3.61Å; H560-H587 AromaticContact NE2-CD2 3.54Å; A578-H587 WeakPolarHBondContact CA-O 3.31Å; S579-H587 PolarHBondContact N-O 2.97Å; S579-H587 PolarHBondContact O-N 3.39Å; S579-H587 VanDerWaalsContact O-N 3.11Å; H587-L589 HydrophobicContact CB-CD2 4.16Å; H587-C599 WeakPolarHBondContact CA-O 3.44Å; H587-T600 WeakPolarHBondContact CE1-CG2 3.32Å; H587-T600 PolarHBondContact CE1-OG1 3.09Å; H587-T600 VanDerWaalsContact CE1-OG1 3.24Å; H587-T600 PolarHBondContact ND1-OG1 3.33Å
588	V	94.7	Very high	93.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	125.1	169.3	-176	0	0	0	0	108.1	L576 L577 L586 V598 C599 I601 F613 L622	L576-V588 HydrophobicContact CB-CG1 4.27Å; L576-V588 HydrophobicContact CD1-CG1 4.11Å; L576-V588 HydrophobicContact CD2-CG1 4.11Å; L576-V588 HydrophobicContact CG-CG1 4.39Å; L577-V588 WeakPolarHBondContact O-CA 3.35Å; L586-V588 HydrophobicContact CD2-CG2 3.92Å; V588-V598 WeakPolarHBondContact O-CB 3.47Å; V588-V598 PolarHBondContact O-N 3.05Å; V588-C599 PolarHBondContact N-O 2.86Å; V588-C599 PolarHBondContact O-N 2.85Å; V588-I601 HydrophobicContact CG2-CD1 4.42Å; V588-F613 HydrophobicContact CG1-CZ 4.4Å; V588-L622 HydrophobicContact CG2-CD2 3.99Å
589	L	94.2	Very high	93.1	Very high	8 Å²	8	46.5 Å²	46.5	4%	0.042	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	142.8	-174.3	-46.8	178.9	0	0	0	110.1	I543 L557 L576 L577 H587 Y595 E596 P597	I543-L589 HydrophobicContact CD1-CD1 4.48Å; L557-L589 HydrophobicContact CD1-CD1 4.1Å; L576-L589 WeakPolarHBondContact CA-O 3.16Å; L577-L589 HydrophobicContact CB-CB 4.46Å; L577-L589 HydrophobicContact CD2-CD1 4.31Å; L577-L589 PolarHBondContact N-O 3.48Å; L577-L589 PolarHBondContact O-N 3.4Å; H587-L589 HydrophobicContact CB-CD2 4.16Å; L589-Y595 HydrophobicContact CD1-CD1 4.48Å; L589-E596 WeakPolarHBondContact CA-O 3.09Å; L589-P597 HydrophobicContact CD2-CB 3.85Å
590	D	91.5	Very high	92.9	Very high	13 Å²	13	50.3 Å²	50.3	7%	0.07	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	107	175.7	-174.7	-17.4	0	0	0	110.6	G575 L576 S592 R593 Y595 E596 V598	G575-D590 CarbonylContact O-C 3.59Å; L576-D590 HydrophobicContact CD2-CB 4.5Å; D590-S592 PolarHBondContact O-N 3.27Å; D590-S592 WeakPolarHBondContact OD1-CA 3.38Å; D590-S592 VanDerWaalsContact OD1-CB 3.29Å; D590-S592 WeakPolarHBondContact OD1-CB 3.33Å; D590-S592 PolarHBondContact OD1-N 3.1Å; D590-S592 PolarHBondContact OD1-OG 3.14Å; D590-S592 PolarHBondContact OD2-OG 2.96Å; D590-R593 HydrophobicContact CB-CB 4.06Å; D590-R593 HydrophobicContact CB-CG 4.21Å; D590-R593 CarbonylContact O-C 3.47Å; D590-R593 PolarHBondContact O-N 2.95Å; D590-R593 PolarHBondContact OD1-N 3.42Å; D590-R593 WeakPolarHBondContact OD2-CD 3.47Å; D590-R593 WeakPolarHBondContact OD2-CG 3.44Å; D590-R593 IonicContact OD2-NE 3.02Å; D590-R593 PolarHBondContact OD2-NE 2.95Å; D590-Y595 VanDerWaalsContact O-CA 3.25Å; D590-Y595 WeakPolarHBondContact O-CA 3.32Å; D590-Y595 PolarHBondContact O-N 3.29Å; D590-E596 PolarHBondContact N-O 3Å; D590-V598 HydrophobicContact CB-CG2 3.62Å
591	V	91.6	Very high	92.8	Very high	30 Å²	30	50.8 Å²	50.8	18%	0.182	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-61.3	-32.4	178.1	-178.1	0	0	0	0	111.4	Y569 G575 L577 R593 Y595	Y569-V591 HydrophobicContact CD1-CG2 4.09Å; Y569-V591 HydrophobicContact CE1-CG2 3.89Å; G575-V591 WeakPolarHBondContact O-CB 3.35Å; G575-V591 WeakPolarHBondContact O-CG2 3.14Å; G575-V591 PolarHBondContact O-N 2.96Å; L577-V591 HydrophobicContact CB-CG2 4.12Å; V591-R593 PolarHBondContact O-N 3.22Å; V591-Y595 HydrophobicContact CB-CE1 4.37Å; V591-Y595 HydrophobicContact CG1-CE1 4.28Å; V591-Y595 HydrophobicContact CG1-CE2 4.3Å; V591-Y595 HydrophobicContact CG2-CD1 4.31Å; V591-Y595 HydrophobicContact CG2-CE1 3.79Å
592	S	87.2	Confident	92.6	Very high	93 Å²	93	56.8 Å²	56.8	65%	0.65	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-74.2	-13.8	176.8	78.1	0	0	0	0	113.2	D590	D590-S592 PolarHBondContact O-N 3.27Å; D590-S592 WeakPolarHBondContact OD1-CA 3.38Å; D590-S592 VanDerWaalsContact OD1-CB 3.29Å; D590-S592 WeakPolarHBondContact OD1-CB 3.33Å; D590-S592 PolarHBondContact OD1-N 3.1Å; D590-S592 PolarHBondContact OD1-OG 3.14Å; D590-S592 PolarHBondContact OD2-OG 2.96Å
593	R	87.2	Confident	92.5	Very high	85 Å²	85	55.3 Å²	55.3	32%	0.321	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-115.9	43.1	177.4	-60.5	178.6	-171.7	-140.6	-15.1	112.2	D590 V591 Y595 E596 L642	D590-R593 HydrophobicContact CB-CB 4.06Å; D590-R593 HydrophobicContact CB-CG 4.21Å; D590-R593 CarbonylContact O-C 3.47Å; D590-R593 PolarHBondContact O-N 2.95Å; D590-R593 PolarHBondContact OD1-N 3.42Å; D590-R593 WeakPolarHBondContact OD2-CD 3.47Å; D590-R593 WeakPolarHBondContact OD2-CG 3.44Å; D590-R593 IonicContact OD2-NE 3.02Å; D590-R593 PolarHBondContact OD2-NE 2.95Å; V591-R593 PolarHBondContact O-N 3.22Å; R593-Y595 PolarHBondContact O-N 3.19Å; R593-E596 HydrophobicContact CB-CB 4.01Å; R593-E596 HydrophobicContact CB-CG 4.26Å; R593-E596 WeakPolarHBondContact CD-OE2 3.3Å; R593-E596 WeakPolarHBondContact O-CB 3.35Å; R593-E596 WeakPolarHBondContact O-CG 3.34Å; R593-E596 PolarHBondContact O-N 3.47Å; R593-L642 VanDerWaalsContact CZ-O 3.31Å; R593-L642 PolarHBondContact NH1-O 3.27Å; R593-L642 VanDerWaalsContact NH1-O 3.12Å; R593-L642 PolarHBondContact NH2-O 3.17Å
594	H	89.2	Confident	92.5	Very high	145 Å²	145	54 Å²	54	67%	0.671	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	34.1	175.1	-57.4	-64	0	0	0	113.3
595	Y	92.7	Very high	92.4	Very high	6 Å²	6	51.8 Å²	51.8	2%	0.024	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	28.5	-179.2	-57.9	-99.2	0	0	0	114.9	H533 I545 H555 L557 Y569 L577 L589 D590 V591 R593	H533-Y595 PolarHBondContact ND1-OH 3.44Å; H533-Y595 VanDerWaalsContact ND1-OH 3.08Å; I545-Y595 HydrophobicContact CB-CE2 4.32Å; I545-Y595 HydrophobicContact CD1-CD1 3.96Å; I545-Y595 HydrophobicContact CD1-CE1 3.64Å; I545-Y595 HydrophobicContact CG1-CD1 4.02Å; I545-Y595 HydrophobicContact CG1-CD2 4.1Å; I545-Y595 HydrophobicContact CG1-CE1 3.89Å; I545-Y595 HydrophobicContact CG1-CE2 4.01Å; I545-Y595 HydrophobicContact CG1-CG 4.12Å; I545-Y595 HydrophobicContact CG2-CE1 4.34Å; I545-Y595 HydrophobicContact CG2-CE2 3.71Å; I545-Y595 WeakPolarHBondContact CG2-OH 3.49Å; H555-Y595 AromaticContact CD2-CD2 3.37Å; H555-Y595 WeakPolarHBondContact CD2-CD2 3.23Å; H555-Y595 AromaticContact CD2-CE2 3.73Å; H555-Y595 AromaticContact NE2-CD2 3.77Å; L557-Y595 HydrophobicContact CD1-CG 4.38Å; Y569-Y595 HydrophobicContact CE1-CE1 4.01Å; Y569-Y595 PolarHBondContact OH-OH 3.3Å; Y569-Y595 VanDerWaalsContact OH-OH 3.13Å; L577-Y595 HydrophobicContact CB-CD1 4.5Å; L577-Y595 HydrophobicContact CB-CE1 4.38Å; L577-Y595 HydrophobicContact CD2-CD1 3.89Å; L577-Y595 HydrophobicContact CD2-CE1 3.74Å; L589-Y595 HydrophobicContact CD1-CD1 4.48Å; D590-Y595 VanDerWaalsContact O-CA 3.25Å; D590-Y595 WeakPolarHBondContact O-CA 3.32Å; D590-Y595 PolarHBondContact O-N 3.29Å; V591-Y595 HydrophobicContact CB-CE1 4.37Å; V591-Y595 HydrophobicContact CG1-CE1 4.28Å; V591-Y595 HydrophobicContact CG1-CE2 4.3Å; V591-Y595 HydrophobicContact CG2-CD1 4.31Å; V591-Y595 HydrophobicContact CG2-CE1 3.79Å; R593-Y595 PolarHBondContact O-N 3.19Å
596	E	89.9	Confident	92.3	Very high	113 Å²	113	50.9 Å²	50.9	53%	0.528	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.1	133.6	167.8	-84.3	178.7	176.1	0	0	111.7	L589 D590 R593 V598	L589-E596 WeakPolarHBondContact CA-O 3.09Å; D590-E596 PolarHBondContact N-O 3Å; R593-E596 HydrophobicContact CB-CB 4.01Å; R593-E596 HydrophobicContact CB-CG 4.26Å; R593-E596 WeakPolarHBondContact CD-OE2 3.3Å; R593-E596 WeakPolarHBondContact O-CB 3.35Å; R593-E596 WeakPolarHBondContact O-CG 3.34Å; R593-E596 PolarHBondContact O-N 3.47Å; E596-V598 PolarHBondContact O-N 2.97Å
597	P	89.6	Confident	92.2	Very high	98 Å²	98	51.5 Å²	51.5	64%	0.636	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	115.4	179	29.2	-33.7	0	0	0	111.5	L589	L589-P597 HydrophobicContact CD2-CB 3.85Å
598	V	89.8	Confident	92.3	Very high	36 Å²	36	50.7 Å²	50.7	22%	0.218	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-43.7	-179.5	-175.1	0	0	0	0	111.6	V588 D590 E596 G643 V645	V588-V598 WeakPolarHBondContact O-CB 3.47Å; V588-V598 PolarHBondContact O-N 3.05Å; D590-V598 HydrophobicContact CB-CG2 3.62Å; E596-V598 PolarHBondContact O-N 2.97Å; V598-G643 WeakPolarHBondContact CG1-O 3.34Å; V598-V645 HydrophobicContact CG1-CB 3.69Å; V598-V645 HydrophobicContact CG1-CG2 3.85Å
599	C	89.9	Confident	92.4	Very high	23 Å²	23	51.7 Å²	51.7	16%	0.155	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	154.2	177.5	66.2	0	0	0	0	113	H587 V588 V647	H587-C599 WeakPolarHBondContact CA-O 3.44Å; V588-C599 PolarHBondContact N-O 2.86Å; V588-C599 PolarHBondContact O-N 2.85Å; C599-V647 HydrophobicContact CB-CG2 4.29Å; C599-V647 WeakPolarHBondContact SG-CG2 3.49Å
600	T	93.5	Very high	92.5	Very high	81 Å²	81	51.4 Å²	51.4	50%	0.497	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	139.4	170.9	-59	0	0	0	0	108.7	L585 H587	L585-T600 HydrophobicContact CB-CG2 4.49Å; L585-T600 HydrophobicContact CD1-CG2 4.4Å; L585-T600 HydrophobicContact CD2-CG2 4.15Å; H587-T600 WeakPolarHBondContact CE1-CG2 3.32Å; H587-T600 PolarHBondContact CE1-OG1 3.09Å; H587-T600 VanDerWaalsContact CE1-OG1 3.24Å; H587-T600 PolarHBondContact ND1-OG1 3.33Å
601	I	94.8	Very high	92.8	Very high	10 Å²	10	50.9 Å²	50.9	5%	0.051	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	124.8	-177.3	-55	171.8	0	0	0	109.2	L586 V588 D603 L622 V647	L586-I601 HydrophobicContact CB-CB 4.28Å; L586-I601 HydrophobicContact CD2-CD1 4.25Å; L586-I601 PolarHBondContact N-O 3.14Å; L586-I601 PolarHBondContact O-N 3.32Å; V588-I601 HydrophobicContact CG2-CD1 4.42Å; I601-D603 HydrophobicContact CG2-CB 4.28Å; I601-L622 HydrophobicContact CD1-CD2 3.96Å; I601-V647 HydrophobicContact CD1-CG1 3.84Å; I601-V647 HydrophobicContact CD1-CG2 4.07Å; I601-V647 HydrophobicContact CG1-CG1 4.36Å; I601-V647 HydrophobicContact CG1-CG2 4.35Å
602	D	93.8	Very high	93	Very high	126 Å²	126	50.1 Å²	50.1	67%	0.674	28%	0.282	S	S	*	.			trans	-118.8	16.3	-172.6	66.9	-28.4	0	0	0	113.6	L585 H604	L585-D602 HydrophobicContact CD2-CB 4Å; D602-H604 PolarHBondContact O-N 3.07Å
603	D	91.7	Very high	93.4	Very high	51 Å²	51	46.1 Å²	46.1	27%	0.273	25%	0.253	S	S	.	.			trans	-53.7	-23.3	-178.9	-85	-50.8	0	0	0	115.5	I601 R634 R649	I601-D603 HydrophobicContact CG2-CB 4.28Å; D603-R634 IonicContact OD2-CZ 3.65Å; D603-R634 VanDerWaalsContact OD2-CZ 3.24Å; D603-R634 IonicContact OD2-NE 3.12Å; D603-R634 PolarHBondContact OD2-NE 3.15Å; D603-R634 IonicContact OD2-NH2 2.69Å; D603-R634 PolarHBondContact OD2-NH2 2.99Å; D603-R649 VanDerWaalsContact OD1-CD 3.22Å; D603-R649 WeakPolarHBondContact OD1-CD 3.37Å; D603-R649 IonicContact OD1-CZ 2.98Å; D603-R649 IonicContact OD1-NE 2.56Å; D603-R649 IonicContact OD1-NH1 2.69Å; D603-R649 PolarHBondContact OD1-NH1 3.13Å
604	H	95	Very high	93.7	Very high	8 Å²	8	42.1 Å²	42.1	4%	0.037	24%	0.238	C	C	.	.			trans	-94.9	136.6	-170	-83.4	-72.8	0	0	0	112	D602 I608 S624 D628 S630	D602-H604 PolarHBondContact O-N 3.07Å; H604-I608 HydrophobicContact CB-CD1 4.05Å; H604-I608 HydrophobicContact CB-CG1 3.78Å; H604-S624 PolarHBondContact CD2-OG 2.89Å; H604-S624 PolarHBondContact NE2-OG 2.81Å; H604-D628 WeakPolarHBondContact CA-OD2 3.03Å; H604-D628 IonicContact CE1-OD1 3.65Å; H604-D628 IonicContact CG-OD2 3.61Å; H604-D628 IonicContact ND1-OD1 2.76Å; H604-D628 PolarHBondContact ND1-OD1 2.97Å; H604-D628 IonicContact ND1-OD2 3.24Å; H604-D628 PolarHBondContact ND1-OD2 2.71Å; H604-S630 PolarHBondContact CE1-OG 3.18Å; H604-S630 PolarHBondContact ND1-OG 3.5Å; H604-S630 VanDerWaalsContact ND1-OG 3.12Å
605	S	94.9	Very high	93.7	Very high	92 Å²	92	39.5 Å²	39.5	64%	0.643	23%	0.226	S	C	*	.	S	Bend	trans	-93.8	-3.2	-178.8	63.3	0	0	0	0	114.1	D628	S605-D628 PolarHBondContact N-OD2 3.06Å; S605-D628 VanDerWaalsContact OG-CB 3.28Å; S605-D628 WeakPolarHBondContact OG-CB 3.47Å
606	S	95.2	Very high	93.5	Very high	32 Å²	32	39.7 Å²	39.7	22%	0.224	23%	0.228	C	C	.	.	S	Bend	trans	-151.6	173.3	174.9	-165.1	0	0	0	0	109.5	I608	S606-I608 PolarHBondContact O-N 3.17Å
607	S	95.2	Very high	93.2	Very high	13 Å²	13	41.7 Å²	41.7	9%	0.091	24%	0.242	C	C	.	.			trans	-48.9	132.6	-173.2	-54.9	0	0	0	0	113.6	R582 G626 A627	R582-S607 WeakPolarHBondContact CA-OG 3.49Å; R582-S607 VanDerWaalsContact CG-OG 3.31Å; R582-S607 WeakPolarHBondContact CG-OG 3.48Å; R582-S607 PolarHBondContact O-OG 2.9Å; S607-G626 WeakPolarHBondContact O-CA 3.4Å; S607-A627 PolarHBondContact O-N 3.13Å
608	I	97.6	Very high	92.9	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	124.4	-179.8	-52.1	-178.8	0	0	0	108	L565 A580 S581 R584 L586 H604 S606 V611 C625	L565-I608 WeakPolarHBondContact CD1-O 3.35Å; A580-I608 HydrophobicContact CB-CB 3.95Å; A580-I608 HydrophobicContact CB-CG2 3.66Å; S581-I608 PolarHBondContact O-N 3.03Å; S581-I608 VanDerWaalsContact O-N 3.14Å; R584-I608 WeakPolarHBondContact O-CD1 3.47Å; L586-I608 HydrophobicContact CB-CD1 3.83Å; H604-I608 HydrophobicContact CB-CD1 4.05Å; H604-I608 HydrophobicContact CB-CG1 3.78Å; S606-I608 PolarHBondContact O-N 3.17Å; I608-V611 HydrophobicContact CG2-CG2 4Å; I608-C625 WeakPolarHBondContact CG2-O 2.89Å
609	T	96.1	Very high	92.7	Very high	21 Å²	21	40.7 Å²	40.7	13%	0.129	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-27.3	-168.3	47.2	0	0	0	0	113.5	C625 Y659 Y660	T609-C625 PolarHBondContact N-O 3.35Å; T609-C625 PolarHBondContact OG1-O 3.44Å; T609-C625 PolarHBondContact OG1-SG 3.16Å; T609-C625 VanDerWaalsContact OG1-SG 3.37Å; T609-Y659 PolarHBondContact OG1-O 2.85Å; T609-Y660 WeakPolarHBondContact CB-O 3.34Å
610	S	97	Very high	92.8	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	151.8	177.4	-176.5	0	0	0	0	112.4	S624 C625 D661	S610-S624 WeakPolarHBondContact O-CA 3.46Å; S610-C625 PolarHBondContact O-N 2.94Å; S610-D661 WeakPolarHBondContact CB-OD1 3.28Å; S610-D661 PolarHBondContact OG-OD1 3.17Å
611	V	97.4	Very high	92.8	Very high	1 Å²	1	38 Å²	38	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	140.2	-176.7	175.2	0	0	0	0	110.1	C566 E568 A578 A580 L586 I608 L622 L623	C566-V611 PolarHBondContact SG-N 2.86Å; E568-V611 WeakPolarHBondContact CB-O 3.31Å; A578-V611 HydrophobicContact CB-CG1 3.89Å; A580-V611 HydrophobicContact CB-CG2 3.47Å; A580-V611 VanDerWaalsContact CB-CG2 3.47Å; L586-V611 HydrophobicContact CD1-CG1 4.18Å; L586-V611 HydrophobicContact CD1-CG2 3.74Å; L586-V611 HydrophobicContact CG-CG2 4.16Å; I608-V611 HydrophobicContact CG2-CG2 4Å; V611-L622 HydrophobicContact CG1-CD1 3.5Å; V611-L622 HydrophobicContact CG1-CG 4.24Å; V611-L623 CarbonylContact C-O 3.49Å; V611-L623 VanDerWaalsContact CA-O 3.29Å; V611-L623 WeakPolarHBondContact CA-O 3.31Å
612	K	96.5	Very high	92.8	Very high	15 Å²	15	37.5 Å²	37.5	7%	0.065	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	130.9	-179.5	-67.4	-68.7	179.1	161.2	0	112.2	E568 L623 I662 E663 V664	E568-K612 HydrophobicContact CG-CD 4.38Å; E568-K612 WeakPolarHBondContact OE1-CD 3.4Å; E568-K612 IonicContact OE1-NZ 2.75Å; E568-K612 PolarHBondContact OE1-NZ 3.47Å; K612-L623 PolarHBondContact N-O 3.44Å; K612-L623 PolarHBondContact O-N 3.48Å; K612-I662 HydrophobicContact CB-CD1 4.39Å; K612-I662 WeakPolarHBondContact CE-O 3.21Å; K612-I662 HydrophobicContact CG-CD1 4.14Å; K612-I662 HydrophobicContact CG-CG1 4.15Å; K612-E663 WeakPolarHBondContact CE-OE1 3.37Å; K612-E663 WeakPolarHBondContact CE-OE2 3.38Å; K612-E663 IonicContact NZ-OE1 3.17Å; K612-E663 PolarHBondContact NZ-OE1 2.98Å; K612-E663 IonicContact NZ-OE2 2.72Å; K612-E663 PolarHBondContact NZ-OE2 2.79Å; K612-V664 HydrophobicContact CB-CG2 4.14Å; K612-V664 HydrophobicContact CG-CG2 4.24Å
613	F	94.8	Very high	92.9	Very high	9 Å²	9	31.5 Å²	31.5	4%	0.039	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	142.2	163.7	-74.5	-86.4	0	0	0	110	E568 C570 Y572 L576 A578 V588 L620 R621 L622 L636	E568-F613 HydrophobicContact CG-CD2 4.46Å; E568-F613 VanDerWaalsContact O-CE2 3.3Å; E568-F613 WeakPolarHBondContact O-CE2 3.24Å; C570-F613 HydrophobicContact CB-CB 4.28Å; C570-F613 HydrophobicContact CB-CD1 3.86Å; C570-F613 HydrophobicContact CB-CD2 3.87Å; C570-F613 HydrophobicContact CB-CE1 4.04Å; C570-F613 HydrophobicContact CB-CE2 4.07Å; C570-F613 HydrophobicContact CB-CG 3.76Å; C570-F613 HydrophobicContact CB-CZ 4.15Å; Y572-F613 HydrophobicContact CE2-CB 4.31Å; L576-F613 HydrophobicContact CB-CE1 4.11Å; L576-F613 HydrophobicContact CB-CZ 3.81Å; L576-F613 HydrophobicContact CD1-CE1 4.06Å; L576-F613 HydrophobicContact CD1-CZ 4.47Å; A578-F613 HydrophobicContact CB-CD2 4.48Å; A578-F613 HydrophobicContact CB-CE2 3.5Å; A578-F613 VanDerWaalsContact CB-CE2 3.5Å; A578-F613 HydrophobicContact CB-CZ 3.84Å; V588-F613 HydrophobicContact CG1-CZ 4.4Å; F613-L620 HydrophobicContact CD1-CD1 4.12Å; F613-L620 HydrophobicContact CD1-CD2 4.35Å; F613-L620 HydrophobicContact CD1-CG 4.38Å; F613-L620 HydrophobicContact CE1-CD2 4.49Å; F613-R621 WeakPolarHBondContact CA-O 3.26Å; F613-L622 HydrophobicContact CD1-CD1 3.99Å; F613-L622 HydrophobicContact CD2-CD1 4.2Å; F613-L622 HydrophobicContact CE1-CD1 3.96Å; F613-L622 HydrophobicContact CE2-CD1 4.14Å; F613-L622 HydrophobicContact CG-CD1 4.13Å; F613-L622 HydrophobicContact CZ-CD1 4.03Å; F613-L636 HydrophobicContact CD1-CD1 4.09Å; F613-L636 HydrophobicContact CE1-CD1 3.54Å
614	V	93.8	Very high	93.2	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	152.3	179.4	-52.4	0	0	0	0	110.2	Y572 V616 R621 L623 V664 L685	Y572-V614 WeakPolarHBondContact OH-CA 3.37Å; V614-V616 HydrophobicContact CG2-CG2 4.24Å; V614-R621 HydrophobicContact CG2-CB 3.6Å; V614-R621 PolarHBondContact N-O 2.87Å; V614-R621 PolarHBondContact O-N 3.01Å; V614-L623 HydrophobicContact CG1-CD1 4.32Å; V614-L623 HydrophobicContact CG2-CD1 3.59Å; V614-V664 HydrophobicContact CG1-CB 4.26Å; V614-V664 HydrophobicContact CG1-CG1 3.87Å; V614-V664 HydrophobicContact CG1-CG2 3.92Å; V614-L685 HydrophobicContact CB-CD1 4.12Å; V614-L685 HydrophobicContact CG1-CD1 4Å; V614-L685 HydrophobicContact CG2-CD1 3.87Å
615	Q	89.8	Confident	93.3	Very high	89 Å²	89	28.7 Å²	28.7	42%	0.416	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	105.6	176.8	-166.8	174	30.4	0	0	112.5	Y572 G618 E619 E666	Y572-Q615 HydrophobicContact CD1-CB 3.68Å; Y572-Q615 HydrophobicContact CD2-CB 4.1Å; Y572-Q615 HydrophobicContact CE1-CB 3.71Å; Y572-Q615 HydrophobicContact CE2-CB 4.14Å; Y572-Q615 HydrophobicContact CG-CB 3.9Å; Q615-G618 PolarHBondContact NE2-O 2.59Å; Q615-E619 WeakPolarHBondContact CA-O 3.25Å; Q615-E666 PolarHBondContact N-OE2 3.04Å
616	V	87.3	Confident	93.3	Very high	11 Å²	11	24.3 Å²	24.3	7%	0.067	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	115.4	-176.2	-177.7	0	0	0	0	110.2	V614 G618 E619 L685	V614-V616 HydrophobicContact CG2-CG2 4.24Å; V616-G618 PolarHBondContact O-N 2.8Å; V616-E619 PolarHBondContact N-O 2.9Å; V616-E619 VanDerWaalsContact O-CB 3.3Å; V616-E619 WeakPolarHBondContact O-CB 3.39Å; V616-E619 PolarHBondContact O-N 2.75Å; V616-L685 HydrophobicContact CG2-CD1 4.48Å; V616-L685 HydrophobicContact CG2-CD2 3.93Å; V616-L685 HydrophobicContact CG2-CG 3.77Å
617	N	84.5	Confident	93.2	Very high	154 Å²	154	23.2 Å²	23.2	82%	0.824	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	34.8	-177.3	-56.4	-23.3	0	0	0	113.2	E619	N617-E619 VanDerWaalsContact C-N 3.26Å; N617-E619 PolarHBondContact O-N 3.37Å
618	G	82.1	Confident	93.1	Very high	53 Å²	53	24.1 Å²	24.1	55%	0.546	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	-18.9	-174.2	0	0	0	0	0	114.8	Q615 V616 L620	Q615-G618 PolarHBondContact NE2-O 2.59Å; V616-G618 PolarHBondContact O-N 2.8Å; G618-L620 PolarHBondContact O-N 2.91Å
619	E	87	Confident	93	Very high	60 Å²	60	28.1 Å²	28.1	28%	0.28	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	121.8	175.4	-53.9	-177.4	161.3	0	0	110.8	Q615 V616 N617 R621 R635	Q615-E619 WeakPolarHBondContact CA-O 3.25Å; V616-E619 PolarHBondContact N-O 2.9Å; V616-E619 VanDerWaalsContact O-CB 3.3Å; V616-E619 WeakPolarHBondContact O-CB 3.39Å; V616-E619 PolarHBondContact O-N 2.75Å; N617-E619 VanDerWaalsContact C-N 3.26Å; N617-E619 PolarHBondContact O-N 3.37Å; E619-R621 IonicContact OE2-CZ 3.15Å; E619-R621 IonicContact OE2-NE 2.99Å; E619-R621 PolarHBondContact OE2-NE 3.32Å; E619-R621 IonicContact OE2-NH2 2.68Å; E619-R621 PolarHBondContact OE2-NH2 2.96Å; E619-R635 VanDerWaalsContact CD-NH2 3.33Å; E619-R635 IonicContact OE1-CZ 2.68Å; E619-R635 VanDerWaalsContact OE1-CZ 3.3Å; E619-R635 IonicContact OE1-NE 2.98Å; E619-R635 PolarHBondContact OE1-NE 3.07Å; E619-R635 IonicContact OE1-NH2 3.21Å; E619-R635 PolarHBondContact OE1-NH2 3.07Å; E619-R635 IonicContact OE2-CZ 3.23Å; E619-R635 IonicContact OE2-NE 3.55Å; E619-R635 PolarHBondContact OE2-NE 3.03Å; E619-R635 IonicContact OE2-NH2 3.02Å; E619-R635 PolarHBondContact OE2-NH2 2.8Å
620	L	91.1	Very high	93	Very high	27 Å²	27	27.5 Å²	27.5	14%	0.141	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	131.9	167.4	-173.4	64.5	0	0	0	109.6	Y572 L576 F613 G618 L636	Y572-L620 HydrophobicContact CD2-CD1 3.61Å; Y572-L620 HydrophobicContact CE2-CD1 4.22Å; L576-L620 HydrophobicContact CD1-CD2 4.1Å; F613-L620 HydrophobicContact CD1-CD1 4.12Å; F613-L620 HydrophobicContact CD1-CD2 4.35Å; F613-L620 HydrophobicContact CD1-CG 4.38Å; F613-L620 HydrophobicContact CE1-CD2 4.49Å; G618-L620 PolarHBondContact O-N 2.91Å; L620-L636 HydrophobicContact CB-CB 4.44Å; L620-L636 HydrophobicContact CD2-CB 4.26Å; L620-L636 HydrophobicContact CD2-CD1 3.94Å; L620-L636 HydrophobicContact CG-CB 4.31Å; L620-L636 HydrophobicContact CG-CD1 4.19Å; L620-L636 PolarHBondContact O-N 3.41Å
621	R	93.1	Very high	93	Very high	21 Å²	21	27.3 Å²	27.3	8%	0.079	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	153.3	178.3	-64.6	178	-178.4	-169.9	-1.4	110.8	F613 V614 E619 L623 R634 I650 S686	F613-R621 WeakPolarHBondContact CA-O 3.26Å; V614-R621 HydrophobicContact CG2-CB 3.6Å; V614-R621 PolarHBondContact N-O 2.87Å; V614-R621 PolarHBondContact O-N 3.01Å; E619-R621 IonicContact OE2-CZ 3.15Å; E619-R621 IonicContact OE2-NE 2.99Å; E619-R621 PolarHBondContact OE2-NE 3.32Å; E619-R621 IonicContact OE2-NH2 2.68Å; E619-R621 PolarHBondContact OE2-NH2 2.96Å; R621-L623 HydrophobicContact CB-CD1 4.39Å; R621-R634 CarbonylContact C-O 3.54Å; R621-R634 WeakPolarHBondContact CA-O 3.25Å; R621-R634 WeakPolarHBondContact CB-O 3.35Å; R621-I650 HydrophobicContact CG-CD1 4.09Å; R621-S686 PolarHBondContact NH1-O 2.98Å
622	L	94.9	Very high	92.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	120	178.4	-173.8	67.9	0	0	0	108.8	A578 L586 V588 I601 V611 F613 R634 L636	A578-L622 HydrophobicContact CB-CD1 4.21Å; L586-L622 HydrophobicContact CD1-CD2 4.1Å; L586-L622 HydrophobicContact CD2-CD2 4.1Å; V588-L622 HydrophobicContact CG2-CD2 3.99Å; I601-L622 HydrophobicContact CD1-CD2 3.96Å; V611-L622 HydrophobicContact CG1-CD1 3.5Å; V611-L622 HydrophobicContact CG1-CG 4.24Å; F613-L622 HydrophobicContact CD1-CD1 3.99Å; F613-L622 HydrophobicContact CD2-CD1 4.2Å; F613-L622 HydrophobicContact CE1-CD1 3.96Å; F613-L622 HydrophobicContact CE2-CD1 4.14Å; F613-L622 HydrophobicContact CG-CD1 4.13Å; F613-L622 HydrophobicContact CZ-CD1 4.03Å; L622-R634 HydrophobicContact CB-CB 4.49Å; L622-R634 PolarHBondContact N-O 3.31Å; L622-R634 PolarHBondContact O-N 3.49Å; L622-L636 HydrophobicContact CB-CD1 4.1Å; L622-L636 HydrophobicContact CB-CD2 4.24Å; L622-L636 HydrophobicContact CB-CG 4.13Å; L622-L636 HydrophobicContact CD2-CD2 4.47Å
623	L	96.7	Very high	92.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	138.9	175.1	-79.7	64.3	0	0	0	108.7	V611 K612 V614 R621 V632 Y633 I662 V671 L685	V611-L623 CarbonylContact C-O 3.49Å; V611-L623 VanDerWaalsContact CA-O 3.29Å; V611-L623 WeakPolarHBondContact CA-O 3.31Å; K612-L623 PolarHBondContact N-O 3.44Å; K612-L623 PolarHBondContact O-N 3.48Å; V614-L623 HydrophobicContact CG1-CD1 4.32Å; V614-L623 HydrophobicContact CG2-CD1 3.59Å; R621-L623 HydrophobicContact CB-CD1 4.39Å; L623-V632 WeakPolarHBondContact CA-O 3.22Å; L623-Y633 HydrophobicContact CD1-CD1 4.05Å; L623-Y633 HydrophobicContact CD1-CE1 4.49Å; L623-Y633 HydrophobicContact CD1-CG 4.48Å; L623-Y633 HydrophobicContact CD2-CD1 4.2Å; L623-Y633 HydrophobicContact CD2-CE1 3.88Å; L623-Y633 HydrophobicContact CG-CD1 3.99Å; L623-Y633 HydrophobicContact CG-CE1 4.19Å; L623-Y633 HydrophobicContact CG-CG 4.18Å; L623-I662 HydrophobicContact CB-CD1 4.01Å; L623-V671 HydrophobicContact CD2-CG1 4.12Å; L623-V671 HydrophobicContact CD2-CG2 3.65Å; L623-L685 HydrophobicContact CD2-CD1 4.09Å
624	S	97.2	Very high	92.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	147.6	169.5	64.2	0	0	0	0	110.9	H604 S610 I631 V632 R634	H604-S624 PolarHBondContact CD2-OG 2.89Å; H604-S624 PolarHBondContact NE2-OG 2.81Å; S610-S624 WeakPolarHBondContact O-CA 3.46Å; S624-I631 CarbonylContact O-C 3.56Å; S624-I631 VanDerWaalsContact O-CA 3.3Å; S624-I631 WeakPolarHBondContact O-CA 3.46Å; S624-V632 PolarHBondContact N-O 3.44Å; S624-V632 PolarHBondContact O-N 3.21Å; S624-R634 PolarHBondContact OG-NH1 3.31Å; S624-R634 PolarHBondContact OG-NH2 2.91Å; S624-R634 VanDerWaalsContact OG-NH2 3.17Å
625	C	96.4	Very high	92.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	157.2	170.5	78.2	0	0	0	0	111.2	I608 T609 S610 S630 I631 Y659 I662	I608-C625 WeakPolarHBondContact CG2-O 2.89Å; T609-C625 PolarHBondContact N-O 3.35Å; T609-C625 PolarHBondContact OG1-O 3.44Å; T609-C625 PolarHBondContact OG1-SG 3.16Å; T609-C625 VanDerWaalsContact OG1-SG 3.37Å; S610-C625 PolarHBondContact O-N 2.94Å; C625-S630 WeakPolarHBondContact CA-O 3.32Å; C625-I631 HydrophobicContact CB-CG1 4.09Å; C625-Y659 HydrophobicContact CB-CD2 4.46Å; C625-Y659 HydrophobicContact CB-CG 4.43Å; C625-I662 HydrophobicContact CB-CD1 4.39Å; C625-I662 HydrophobicContact CB-CG1 4.39Å; C625-I662 HydrophobicContact CB-CG2 3.9Å
626	G	94.7	Very high	92.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	169.1	-175.6	0	0	0	0	0	115.5	S607 D628 K629 S630 Y659	S607-G626 WeakPolarHBondContact O-CA 3.4Å; G626-D628 PolarHBondContact O-N 2.93Å; G626-K629 PolarHBondContact O-N 2.86Å; G626-K629 VanDerWaalsContact O-N 3.15Å; G626-S630 PolarHBondContact N-O 2.69Å; G626-Y659 PolarHBondContact O-N 3.11Å
627	A	93.8	Very high	92.6	Very high	8 Å²	8	28.4 Å²	28.4	7%	0.066	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.8	175.4	0	0	0	0	0	112.6	S607 K629 S658	S607-A627 PolarHBondContact O-N 3.13Å; A627-K629 PolarHBondContact O-N 2.85Å; A627-K629 VanDerWaalsContact O-N 3.12Å; A627-S658 WeakPolarHBondContact O-CB 3.26Å; A627-S658 PolarHBondContact O-OG 2.73Å
628	D	94.1	Very high	92.1	Very high	33 Å²	33	25.1 Å²	25.1	18%	0.176	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	5	173.8	70.7	5.2	0	0	0	115.2	H604 S605 G626 S630	H604-D628 WeakPolarHBondContact CA-OD2 3.03Å; H604-D628 IonicContact CE1-OD1 3.65Å; H604-D628 IonicContact CG-OD2 3.61Å; H604-D628 IonicContact ND1-OD1 2.76Å; H604-D628 PolarHBondContact ND1-OD1 2.97Å; H604-D628 IonicContact ND1-OD2 3.24Å; H604-D628 PolarHBondContact ND1-OD2 2.71Å; S605-D628 PolarHBondContact N-OD2 3.06Å; S605-D628 VanDerWaalsContact OG-CB 3.28Å; S605-D628 WeakPolarHBondContact OG-CB 3.47Å; G626-D628 PolarHBondContact O-N 2.93Å; D628-S630 VanDerWaalsContact C-N 3.29Å; D628-S630 PolarHBondContact O-N 3.42Å; D628-S630 WeakPolarHBondContact OD1-CB 3.48Å; D628-S630 PolarHBondContact OD1-N 2.84Å; D628-S630 PolarHBondContact OD1-OG 3.27Å; D628-S630 PolarHBondContact OD2-OG 3.24Å
629	K	95.4	Very high	91.4	Very high	84 Å²	84	23.4 Å²	23.4	37%	0.365	13%	0.132	S	C	.	.	S	Bend	trans	70.8	21.1	177.2	-40.1	-176.5	168.6	-167	0	113.3	G626 A627 G655 A656 T657 Y659	G626-K629 PolarHBondContact O-N 2.86Å; G626-K629 VanDerWaalsContact O-N 3.15Å; A627-K629 PolarHBondContact O-N 2.85Å; A627-K629 VanDerWaalsContact O-N 3.12Å; K629-G655 PolarHBondContact O-N 2.89Å; K629-A656 WeakPolarHBondContact CD-O 3.17Å; K629-A656 PolarHBondContact NZ-O 3.07Å; K629-T657 WeakPolarHBondContact CA-O 3.29Å; K629-T657 VanDerWaalsContact CB-O 3.26Å; K629-T657 WeakPolarHBondContact CB-O 3.41Å; K629-Y659 VanDerWaalsContact O-CE2 3.31Å; K629-Y659 WeakPolarHBondContact O-CE2 3.42Å
630	S	95.7	Very high	89.7	Confident	8 Å²	8	27.5 Å²	27.5	6%	0.056	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	149.1	175.7	73	0	0	0	0	113.4	H604 C625 G626 D628 I653	H604-S630 PolarHBondContact CE1-OG 3.18Å; H604-S630 PolarHBondContact ND1-OG 3.5Å; H604-S630 VanDerWaalsContact ND1-OG 3.12Å; C625-S630 WeakPolarHBondContact CA-O 3.32Å; G626-S630 PolarHBondContact N-O 2.69Å; D628-S630 VanDerWaalsContact C-N 3.29Å; D628-S630 PolarHBondContact O-N 3.42Å; D628-S630 WeakPolarHBondContact OD1-CB 3.48Å; D628-S630 PolarHBondContact OD1-N 2.84Å; D628-S630 PolarHBondContact OD1-OG 3.27Å; D628-S630 PolarHBondContact OD2-OG 3.24Å; S630-I653 WeakPolarHBondContact CA-O 3.32Å
631	I	96.2	Very high	88.2	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	123.5	158.4	-50.2	177.8	0	0	0	106.9	S624 C625 Y633 C652 I653 Y659 I662 A673 Y683	S624-I631 CarbonylContact O-C 3.56Å; S624-I631 VanDerWaalsContact O-CA 3.3Å; S624-I631 WeakPolarHBondContact O-CA 3.46Å; C625-I631 HydrophobicContact CB-CG1 4.09Å; I631-Y633 HydrophobicContact CB-CE2 4.45Å; I631-Y633 HydrophobicContact CG2-CD2 4.17Å; I631-Y633 HydrophobicContact CG2-CE2 3.75Å; I631-C652 CarbonylContact O-C 3.58Å; I631-C652 WeakPolarHBondContact O-CA 3.49Å; I631-I653 HydrophobicContact CB-CB 4.36Å; I631-I653 PolarHBondContact N-O 3.42Å; I631-I653 PolarHBondContact O-N 2.85Å; I631-Y659 HydrophobicContact CD1-CD1 4.32Å; I631-Y659 HydrophobicContact CD1-CD2 4.37Å; I631-Y659 HydrophobicContact CD1-CE1 4.04Å; I631-Y659 HydrophobicContact CD1-CE2 4.09Å; I631-Y659 HydrophobicContact CD1-CG 4.48Å; I631-Y659 HydrophobicContact CG1-CD1 4.49Å; I631-Y659 HydrophobicContact CG1-CD2 3.69Å; I631-Y659 HydrophobicContact CG1-CE1 4.36Å; I631-Y659 HydrophobicContact CG1-CE2 3.52Å; I631-Y659 HydrophobicContact CG1-CG 4.19Å; I631-I662 HydrophobicContact CD1-CG2 4.41Å; I631-A673 HydrophobicContact CD1-CB 3.8Å; I631-Y683 HydrophobicContact CD1-CD2 3.95Å; I631-Y683 HydrophobicContact CD1-CE2 3.71Å
632	V	95.8	Very high	86.3	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	127.9	-178.1	-170.9	0	0	0	0	109.7	L623 S624 R634 R649 C652	L623-V632 WeakPolarHBondContact CA-O 3.22Å; S624-V632 PolarHBondContact N-O 3.44Å; S624-V632 PolarHBondContact O-N 3.21Å; V632-R634 HydrophobicContact CG1-CG 4.1Å; V632-R649 HydrophobicContact CG1-CG 4.01Å; V632-C652 HydrophobicContact CG2-CB 4.44Å
633	Y	95.2	Very high	84.5	Confident	4 Å²	4	41 Å²	41	2%	0.016	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	124.3	178.6	-71.9	-121.7	0	0	0	108.5	L623 I631 I650 R651 I653 T684 L685	L623-Y633 HydrophobicContact CD1-CD1 4.05Å; L623-Y633 HydrophobicContact CD1-CE1 4.49Å; L623-Y633 HydrophobicContact CD1-CG 4.48Å; L623-Y633 HydrophobicContact CD2-CD1 4.2Å; L623-Y633 HydrophobicContact CD2-CE1 3.88Å; L623-Y633 HydrophobicContact CG-CD1 3.99Å; L623-Y633 HydrophobicContact CG-CE1 4.19Å; L623-Y633 HydrophobicContact CG-CG 4.18Å; I631-Y633 HydrophobicContact CB-CE2 4.45Å; I631-Y633 HydrophobicContact CG2-CD2 4.17Å; I631-Y633 HydrophobicContact CG2-CE2 3.75Å; Y633-I650 PolarHBondContact O-N 3.13Å; Y633-R651 PolarHBondContact N-O 2.95Å; Y633-R651 PolarHBondContact O-N 3.42Å; Y633-I653 HydrophobicContact CD2-CD1 4.38Å; Y633-I653 HydrophobicContact CE2-CD1 3.53Å; Y633-I653 HydrophobicContact CE2-CG1 4.19Å; Y633-T684 PolarHBondContact OH-O 2.99Å; Y633-L685 WeakPolarHBondContact CE1-O 3.45Å
634	R	93.6	Very high	83.2	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144.6	-179.4	-50.2	-178.7	-171.9	80.6	-3.8	110.2	D603 R621 L622 S624 V632 V647 Q648	D603-R634 IonicContact OD2-CZ 3.65Å; D603-R634 VanDerWaalsContact OD2-CZ 3.24Å; D603-R634 IonicContact OD2-NE 3.12Å; D603-R634 PolarHBondContact OD2-NE 3.15Å; D603-R634 IonicContact OD2-NH2 2.69Å; D603-R634 PolarHBondContact OD2-NH2 2.99Å; R621-R634 CarbonylContact C-O 3.54Å; R621-R634 WeakPolarHBondContact CA-O 3.25Å; R621-R634 WeakPolarHBondContact CB-O 3.35Å; L622-R634 HydrophobicContact CB-CB 4.49Å; L622-R634 PolarHBondContact N-O 3.31Å; L622-R634 PolarHBondContact O-N 3.49Å; S624-R634 PolarHBondContact OG-NH1 3.31Å; S624-R634 PolarHBondContact OG-NH2 2.91Å; S624-R634 VanDerWaalsContact OG-NH2 3.17Å; V632-R634 HydrophobicContact CG1-CG 4.1Å; R634-V647 HydrophobicContact CB-CG1 3.96Å; R634-V647 VanDerWaalsContact CD-CG1 3.45Å; R634-V647 HydrophobicContact CG-CG1 4.2Å; R634-Q648 CarbonylContact C-O 3.54Å; R634-Q648 WeakPolarHBondContact CA-O 3.41Å
635	R	92	Very high	82.2	Confident	72 Å²	72	45.6 Å²	45.6	27%	0.272	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	136	164.4	-172.4	-174.7	-74	145.5	-20.4	107.4	E619 V637 Q648 I650	E619-R635 VanDerWaalsContact CD-NH2 3.33Å; E619-R635 IonicContact OE1-CZ 2.68Å; E619-R635 VanDerWaalsContact OE1-CZ 3.3Å; E619-R635 IonicContact OE1-NE 2.98Å; E619-R635 PolarHBondContact OE1-NE 3.07Å; E619-R635 IonicContact OE1-NH2 3.21Å; E619-R635 PolarHBondContact OE1-NH2 3.07Å; E619-R635 IonicContact OE2-CZ 3.23Å; E619-R635 IonicContact OE2-NE 3.55Å; E619-R635 PolarHBondContact OE2-NE 3.03Å; E619-R635 IonicContact OE2-NH2 3.02Å; E619-R635 PolarHBondContact OE2-NH2 2.8Å; R635-V637 HydrophobicContact CB-CG2 4.47Å; R635-V637 HydrophobicContact CG-CG2 3.76Å; R635-Q648 HydrophobicContact CB-CB 4.38Å; R635-Q648 PolarHBondContact N-O 2.72Å; R635-Q648 PolarHBondContact O-N 3.04Å; R635-I650 HydrophobicContact CB-CD1 3.94Å; R635-I650 HydrophobicContact CB-CG1 3.98Å
636	L	90	Very high	81.5	Confident	14 Å²	14	50.7 Å²	50.7	7%	0.073	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	120.9	168.3	-60.6	-175.1	0	0	0	107.6	L576 F613 L620 L622 V645 V647	L576-L636 HydrophobicContact CD1-CD1 4.23Å; F613-L636 HydrophobicContact CD1-CD1 4.09Å; F613-L636 HydrophobicContact CE1-CD1 3.54Å; L620-L636 HydrophobicContact CB-CB 4.44Å; L620-L636 HydrophobicContact CD2-CB 4.26Å; L620-L636 HydrophobicContact CD2-CD1 3.94Å; L620-L636 HydrophobicContact CG-CB 4.31Å; L620-L636 HydrophobicContact CG-CD1 4.19Å; L620-L636 PolarHBondContact O-N 3.41Å; L622-L636 HydrophobicContact CB-CD1 4.1Å; L622-L636 HydrophobicContact CB-CD2 4.24Å; L622-L636 HydrophobicContact CB-CG 4.13Å; L622-L636 HydrophobicContact CD2-CD2 4.47Å; L636-V645 HydrophobicContact CB-CG1 3.76Å; L636-V645 HydrophobicContact CD2-CG1 3.9Å; L636-V645 HydrophobicContact CG-CG1 4.25Å; L636-V647 HydrophobicContact CD2-CB 4.45Å; L636-V647 HydrophobicContact CD2-CG1 4.26Å; L636-V647 HydrophobicContact CD2-CG2 3.92Å
637	V	84.9	Confident	81.1	Confident	58 Å²	58	53.1 Å²	53.1	35%	0.352	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	129.9	-178	-174.1	0	0	0	0	107.7	R635 G639 V645 Q646	R635-V637 HydrophobicContact CB-CG2 4.47Å; R635-V637 HydrophobicContact CG-CG2 3.76Å; V637-G639 PolarHBondContact O-N 3.24Å; V637-V645 CarbonylContact O-C 3.38Å; V637-V645 WeakPolarHBondContact O-CA 3.25Å; V637-Q646 HydrophobicContact CB-CB 4.49Å; V637-Q646 PolarHBondContact N-O 3.44Å; V637-Q646 PolarHBondContact O-N 2.82Å
638	A	73.5	Confident	80.8	Confident	86 Å²	86	57.5 Å²	57.5	71%	0.711	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.2	128.5	172.3	0	0	0	0	0	109.7
639	G	67.6	Low	80.6	Confident	17 Å²	17	61.8 Å²	61.8	18%	0.175	33%	0.327	C	S	.	.			trans	-78.1	-175.3	-178.5	0	0	0	0	0	113.4	V637 H641 D644	V637-G639 PolarHBondContact O-N 3.24Å; G639-H641 VanDerWaalsContact C-N 3.27Å; G639-H641 PolarHBondContact O-N 2.57Å; G639-D644 PolarHBondContact N-O 2.94Å
640	N	52.8	Low	80.4	Confident	146 Å²	146	61.3 Å²	61.3	78%	0.781	33%	0.328	S	S	*	.	S	Bend	trans	-74	-19.3	-177.6	-66.4	-18.4	0	0	0	113
641	H	59.8	Low	80.1	Confident	137 Å²	137	65.6 Å²	65.6	63%	0.634	34%	0.343	S	S	*	.	S	Bend	trans	-105	149.2	175.2	-56.2	-58.9	0	0	0	110.5	G639 G643 D644	G639-H641 VanDerWaalsContact C-N 3.27Å; G639-H641 PolarHBondContact O-N 2.57Å; H641-G643 PolarHBondContact O-N 3.42Å; H641-D644 WeakPolarHBondContact CB-OD2 3.25Å; H641-D644 IonicContact CD2-OD2 3.28Å; H641-D644 PolarHBondContact CD2-OD2 3.37Å; H641-D644 VanDerWaalsContact CD2-OD2 3.28Å; H641-D644 IonicContact CG-OD2 3.73Å; H641-D644 PolarHBondContact O-N 2.95Å
642	L	51.9	Low	80	Confident	165 Å²	165	67.5 Å²	67.5	86%	0.864	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	114.6	-179	-135.9	78.5	0	0	0	109.2	R593	R593-L642 VanDerWaalsContact CZ-O 3.31Å; R593-L642 PolarHBondContact NH1-O 3.27Å; R593-L642 VanDerWaalsContact NH1-O 3.12Å; R593-L642 PolarHBondContact NH2-O 3.17Å
643	G	57.9	Low	79.8	Confident	29 Å²	29	68.3 Å²	68.3	30%	0.299	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.6	-5.8	-178.9	0	0	0	0	0	116.2	V598 H641	V598-G643 WeakPolarHBondContact CG1-O 3.34Å; H641-G643 PolarHBondContact O-N 3.42Å
644	D	69	Low	79.6	Confident	68 Å²	68	73 Å²	73	36%	0.364	39%	0.394	S	S	.	.			trans	-62.6	139.8	165.4	-85.7	-11.8	0	0	0	109.4	G639 H641	G639-D644 PolarHBondContact N-O 2.94Å; H641-D644 WeakPolarHBondContact CB-OD2 3.25Å; H641-D644 IonicContact CD2-OD2 3.28Å; H641-D644 PolarHBondContact CD2-OD2 3.37Å; H641-D644 VanDerWaalsContact CD2-OD2 3.28Å; H641-D644 IonicContact CG-OD2 3.73Å; H641-D644 PolarHBondContact O-N 2.95Å
645	V	76	Confident	79.2	Confident	28 Å²	28	74.1 Å²	74.1	17%	0.17	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	109.8	164.5	177.2	0	0	0	0	109.1	V598 L636 V637	V598-V645 HydrophobicContact CG1-CB 3.69Å; V598-V645 HydrophobicContact CG1-CG2 3.85Å; L636-V645 HydrophobicContact CB-CG1 3.76Å; L636-V645 HydrophobicContact CD2-CG1 3.9Å; L636-V645 HydrophobicContact CG-CG1 4.25Å; V637-V645 CarbonylContact O-C 3.38Å; V637-V645 WeakPolarHBondContact O-CA 3.25Å
646	Q	80.7	Confident	79	Confident	108 Å²	108	74.3 Å²	74.3	51%	0.505	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	121.8	170.7	-68.6	-169.1	-1.3	0	0	110.1	V637	V637-Q646 HydrophobicContact CB-CB 4.49Å; V637-Q646 PolarHBondContact N-O 3.44Å; V637-Q646 PolarHBondContact O-N 2.82Å
647	V	86.9	Confident	79.1	Confident	50 Å²	50	74.5 Å²	74.5	30%	0.303	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	113.9	-179.8	-174.6	0	0	0	0	109.6	C599 I601 R634 L636	C599-V647 HydrophobicContact CB-CG2 4.29Å; C599-V647 WeakPolarHBondContact SG-CG2 3.49Å; I601-V647 HydrophobicContact CD1-CG1 3.84Å; I601-V647 HydrophobicContact CD1-CG2 4.07Å; I601-V647 HydrophobicContact CG1-CG1 4.36Å; I601-V647 HydrophobicContact CG1-CG2 4.35Å; R634-V647 HydrophobicContact CB-CG1 3.96Å; R634-V647 VanDerWaalsContact CD-CG1 3.45Å; R634-V647 HydrophobicContact CG-CG1 4.2Å; L636-V647 HydrophobicContact CD2-CB 4.45Å; L636-V647 HydrophobicContact CD2-CG1 4.26Å; L636-V647 HydrophobicContact CD2-CG2 3.92Å
648	Q	87.9	Confident	79.5	Confident	101 Å²	101	72 Å²	72	47%	0.472	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	109.1	176.2	-174.8	179.3	49.5	0	0	110.7	R634 R635 I650	R634-Q648 CarbonylContact C-O 3.54Å; R634-Q648 WeakPolarHBondContact CA-O 3.41Å; R635-Q648 HydrophobicContact CB-CB 4.38Å; R635-Q648 PolarHBondContact N-O 2.72Å; R635-Q648 PolarHBondContact O-N 3.04Å; Q648-I650 PolarHBondContact O-N 3.14Å; Q648-I650 VanDerWaalsContact O-N 3.11Å
649	R	89.8	Confident	80.5	Confident	122 Å²	122	68 Å²	68	46%	0.46	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	109.7	172.8	178.4	166.2	165.2	171.2	-0.9	110.3	D603 V632 C652	D603-R649 VanDerWaalsContact OD1-CD 3.22Å; D603-R649 WeakPolarHBondContact OD1-CD 3.37Å; D603-R649 IonicContact OD1-CZ 2.98Å; D603-R649 IonicContact OD1-NE 2.56Å; D603-R649 IonicContact OD1-NH1 2.69Å; D603-R649 PolarHBondContact OD1-NH1 3.13Å; V632-R649 HydrophobicContact CG1-CG 4.01Å; R649-C652 VanDerWaalsContact NH2-CB 3.32Å
650	I	90.4	Very high	81.8	Confident	74 Å²	74	68.6 Å²	68.6	38%	0.379	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-49.2	-179.9	-51.6	167.2	0	0	0	109.8	R621 Y633 R635 Q648	R621-I650 HydrophobicContact CG-CD1 4.09Å; Y633-I650 PolarHBondContact O-N 3.13Å; R635-I650 HydrophobicContact CB-CD1 3.94Å; R635-I650 HydrophobicContact CB-CG1 3.98Å; Q648-I650 PolarHBondContact O-N 3.14Å; Q648-I650 VanDerWaalsContact O-N 3.11Å
651	R	90.3	Very high	83.9	Confident	98 Å²	98	62.1 Å²	62.1	37%	0.37	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	151.7	-171.3	-176.5	170.7	174.6	138.2	9.1	110.5	Y633 I653 D687 G688	Y633-R651 PolarHBondContact N-O 2.95Å; Y633-R651 PolarHBondContact O-N 3.42Å; R651-I653 HydrophobicContact CG-CG1 4.47Å; R651-D687 WeakPolarHBondContact CD-O 3.5Å; R651-D687 PolarHBondContact NE-O 3.09Å; R651-D687 PolarHBondContact NH1-O 3.08Å; R651-G688 VanDerWaalsContact CZ-C 3.48Å; R651-G688 PolarHBondContact NE-O 3.29Å; R651-G688 VanDerWaalsContact NE-O 3.14Å; R651-G688 PolarHBondContact NH2-O 2.52Å; R651-G688 VanDerWaalsContact NH2-O 3.09Å
652	C	93.1	Very high	85.6	Confident	40 Å²	40	55.6 Å²	55.6	27%	0.27	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	139.1	165.9	173.1	0	0	0	0	108.4	I631 V632 R649	I631-C652 CarbonylContact O-C 3.58Å; I631-C652 WeakPolarHBondContact O-CA 3.49Å; V632-C652 HydrophobicContact CG2-CB 4.44Å; R649-C652 VanDerWaalsContact NH2-CB 3.32Å
653	I	92.9	Very high	87.7	Confident	18 Å²	18	49.1 Å²	49.1	9%	0.092	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	99.6	178.2	-51.8	177.2	0	0	0	107.8	S630 I631 Y633 R651 G655 Y683 G688	S630-I653 WeakPolarHBondContact CA-O 3.32Å; I631-I653 HydrophobicContact CB-CB 4.36Å; I631-I653 PolarHBondContact N-O 3.42Å; I631-I653 PolarHBondContact O-N 2.85Å; Y633-I653 HydrophobicContact CD2-CD1 4.38Å; Y633-I653 HydrophobicContact CE2-CD1 3.53Å; Y633-I653 HydrophobicContact CE2-CG1 4.19Å; R651-I653 HydrophobicContact CG-CG1 4.47Å; I653-G655 PolarHBondContact O-N 2.8Å; I653-Y683 HydrophobicContact CD1-CD1 3.66Å; I653-Y683 HydrophobicContact CD1-CE1 4.04Å; I653-Y683 HydrophobicContact CD1-CG 4.16Å; I653-Y683 HydrophobicContact CG2-CD1 4.47Å; I653-Y683 HydrophobicContact CG2-CE1 3.81Å; I653-G688 WeakPolarHBondContact CD1-O 3.21Å
654	S	91.2	Very high	89.5	Confident	103 Å²	103	48.8 Å²	48.8	72%	0.72	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	114.2	171.1	-52.1	0	0	0	0	110.2
655	G	85.3	Confident	90.6	Very high	23 Å²	23	46.3 Å²	46.3	24%	0.237	25%	0.252	C	S	.	.			trans	-91.1	173.1	174.9	0	0	0	0	0	113.5	K629 I653 T657 Y659	K629-G655 PolarHBondContact O-N 2.89Å; I653-G655 PolarHBondContact O-N 2.8Å; G655-T657 VanDerWaalsContact C-N 3.34Å; G655-Y659 WeakPolarHBondContact CA-OH 3.48Å
656	A	87.3	Confident	91.2	Very high	76 Å²	76	48.6 Å²	48.6	63%	0.628	26%	0.261	S	S	*	.	S	Bend	trans	-79.6	-19.5	173.7	0	0	0	0	0	113	K629	K629-A656 WeakPolarHBondContact CD-O 3.17Å; K629-A656 PolarHBondContact NZ-O 3.07Å
657	T	91.9	Very high	91.5	Very high	18 Å²	18	47.3 Å²	47.3	11%	0.11	27%	0.269	C	S	.	.	S	Bend	trans	-128.1	153.3	-170.1	47.6	0	0	0	0	111.6	K629 G655 Q676 D677	K629-T657 WeakPolarHBondContact CA-O 3.29Å; K629-T657 VanDerWaalsContact CB-O 3.26Å; K629-T657 WeakPolarHBondContact CB-O 3.41Å; G655-T657 VanDerWaalsContact C-N 3.34Å; T657-Q676 HydrophobicContact CG2-CB 4.44Å; T657-D677 HydrophobicContact CG2-CB 3.8Å
658	S	93.2	Very high	91.6	Very high	6 Å²	6	46.9 Å²	46.9	4%	0.042	27%	0.27	C	S	.	.			trans	-67.4	146.7	171	-57.8	0	0	0	0	110.6	A627 Q676	A627-S658 WeakPolarHBondContact O-CB 3.26Å; A627-S658 PolarHBondContact O-OG 2.73Å; S658-Q676 PolarHBondContact O-N 3.46Å
659	Y	94.8	Very high	91.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	140.7	172.2	-55.5	-72.9	0	0	0	109.3	T609 C625 G626 K629 I631 G655 A673 A674 C675 Y683	T609-Y659 PolarHBondContact OG1-O 2.85Å; C625-Y659 HydrophobicContact CB-CD2 4.46Å; C625-Y659 HydrophobicContact CB-CG 4.43Å; G626-Y659 PolarHBondContact O-N 3.11Å; K629-Y659 VanDerWaalsContact O-CE2 3.31Å; K629-Y659 WeakPolarHBondContact O-CE2 3.42Å; I631-Y659 HydrophobicContact CD1-CD1 4.32Å; I631-Y659 HydrophobicContact CD1-CD2 4.37Å; I631-Y659 HydrophobicContact CD1-CE1 4.04Å; I631-Y659 HydrophobicContact CD1-CE2 4.09Å; I631-Y659 HydrophobicContact CD1-CG 4.48Å; I631-Y659 HydrophobicContact CG1-CD1 4.49Å; I631-Y659 HydrophobicContact CG1-CD2 3.69Å; I631-Y659 HydrophobicContact CG1-CE1 4.36Å; I631-Y659 HydrophobicContact CG1-CE2 3.52Å; I631-Y659 HydrophobicContact CG1-CG 4.19Å; G655-Y659 WeakPolarHBondContact CA-OH 3.48Å; Y659-A673 HydrophobicContact CD1-CB 3.85Å; Y659-A673 HydrophobicContact CE1-CB 4.13Å; Y659-A674 WeakPolarHBondContact CA-O 3.28Å; Y659-C675 VanDerWaalsContact CD1-SG 3.56Å; Y659-C675 VanDerWaalsContact CE1-SG 3.55Å; Y659-Y683 PolarHBondContact OH-OH 2.82Å; Y659-Y683 VanDerWaalsContact OH-OH 3.12Å
660	Y	94.8	Very high	92.1	Very high	31 Å²	31	39 Å²	39	12%	0.122	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	-24.9	-179.9	-65.7	-68.7	0	0	0	113.4	T609 A674 Q676 V704 I705	T609-Y660 WeakPolarHBondContact CB-O 3.34Å; Y660-A674 PolarHBondContact N-O 2.99Å; Y660-Q676 HydrophobicContact CE2-CB 3.8Å; Y660-Q676 HydrophobicContact CE2-CG 3.98Å; Y660-Q676 PolarHBondContact OH-NE2 3.31Å; Y660-V704 WeakPolarHBondContact CD2-O 3.18Å; Y660-I705 WeakPolarHBondContact CB-O 3.18Å
661	D	96.4	Very high	92.3	Very high	10 Å²	10	35.5 Å²	35.5	5%	0.053	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	163.4	173.5	-149.7	-15.7	0	0	0	111.7	S610 A673 A674 K706 V707	S610-D661 WeakPolarHBondContact CB-OD1 3.28Å; S610-D661 PolarHBondContact OG-OD1 3.17Å; D661-A673 WeakPolarHBondContact O-CA 3.46Å; D661-A674 HydrophobicContact CB-CB 4.22Å; D661-A674 PolarHBondContact O-N 3.37Å; D661-K706 HydrophobicContact CB-CD 4.27Å; D661-K706 WeakPolarHBondContact OD2-CD 3.32Å; D661-K706 WeakPolarHBondContact OD2-CE 3.3Å; D661-K706 IonicContact OD2-NZ 3.64Å; D661-K706 PolarHBondContact OD2-NZ 3.11Å; D661-V707 HydrophobicContact CB-CG2 4.02Å
662	I	96.7	Very high	92.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	136.5	171.8	46.6	166.7	0	0	0	111.2	K612 L623 C625 I631 V671 Y672 A673	K612-I662 HydrophobicContact CB-CD1 4.39Å; K612-I662 WeakPolarHBondContact CE-O 3.21Å; K612-I662 HydrophobicContact CG-CD1 4.14Å; K612-I662 HydrophobicContact CG-CG1 4.15Å; L623-I662 HydrophobicContact CB-CD1 4.01Å; C625-I662 HydrophobicContact CB-CD1 4.39Å; C625-I662 HydrophobicContact CB-CG1 4.39Å; C625-I662 HydrophobicContact CB-CG2 3.9Å; I631-I662 HydrophobicContact CD1-CG2 4.41Å; I662-V671 HydrophobicContact CB-CG1 4.42Å; I662-V671 HydrophobicContact CG2-CG1 4.33Å; I662-Y672 CarbonylContact C-O 3.57Å; I662-Y672 VanDerWaalsContact CA-O 3.32Å; I662-Y672 WeakPolarHBondContact CA-O 3.26Å; I662-A673 HydrophobicContact CG2-CB 3.87Å
663	E	95.8	Very high	92.8	Very high	28 Å²	28	29.3 Å²	29.3	13%	0.131	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	155.9	171.4	-161.4	51.6	-96.1	0	0	110.9	K612 V671 Y672 V707 L709	K612-E663 WeakPolarHBondContact CE-OE1 3.37Å; K612-E663 WeakPolarHBondContact CE-OE2 3.38Å; K612-E663 IonicContact NZ-OE1 3.17Å; K612-E663 PolarHBondContact NZ-OE1 2.98Å; K612-E663 IonicContact NZ-OE2 2.72Å; K612-E663 PolarHBondContact NZ-OE2 2.79Å; E663-V671 CarbonylContact O-C 3.59Å; E663-V671 WeakPolarHBondContact O-CA 3.48Å; E663-Y672 PolarHBondContact N-O 3.45Å; E663-Y672 PolarHBondContact O-N 2.95Å; E663-V707 HydrophobicContact CB-CG2 4.18Å; E663-L709 HydrophobicContact CG-CB 4.33Å; E663-L709 HydrophobicContact CG-CD1 4.07Å; E663-L709 HydrophobicContact CG-CG 3.97Å
664	V	94.9	Very high	92.9	Very high	23 Å²	23	28.5 Å²	28.5	14%	0.139	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	134.3	-169.4	-174.4	0	0	0	0	112.4	K612 V614 E666 V671 L685	K612-V664 HydrophobicContact CB-CG2 4.14Å; K612-V664 HydrophobicContact CG-CG2 4.24Å; V614-V664 HydrophobicContact CG1-CB 4.26Å; V614-V664 HydrophobicContact CG1-CG1 3.87Å; V614-V664 HydrophobicContact CG1-CG2 3.92Å; V664-E666 HydrophobicContact CG1-CG 4.11Å; V664-V671 HydrophobicContact CG1-CG2 4.48Å; V664-V671 HydrophobicContact CG2-CG1 4.41Å; V664-V671 HydrophobicContact CG2-CG2 4.3Å; V664-L685 HydrophobicContact CG1-CD1 3.83Å; V664-L685 HydrophobicContact CG1-CD2 3.95Å; V664-L685 HydrophobicContact CG1-CG 4.48Å
665	D	92.5	Very high	93	Very high	15 Å²	15	23.6 Å²	23.6	8%	0.08	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	105.1	159.7	-174.8	-13.4	0	0	0	108.9	A667 A668 D669 S670 Y672 L709 K787	D665-A667 VanDerWaalsContact C-N 3.34Å; D665-A667 WeakPolarHBondContact OD1-CA 3.35Å; D665-A667 WeakPolarHBondContact OD1-CB 3.41Å; D665-A667 PolarHBondContact OD1-N 2.93Å; D665-A668 HydrophobicContact CB-CB 3.93Å; D665-A668 CarbonylContact O-C 3.59Å; D665-A668 PolarHBondContact O-N 3.4Å; D665-A668 PolarHBondContact OD1-N 2.82Å; D665-A668 VanDerWaalsContact OD1-N 3.1Å; D665-D669 PolarHBondContact O-N 3.28Å; D665-D669 VanDerWaalsContact O-N 3.14Å; D665-S670 PolarHBondContact N-O 3.04Å; D665-S670 PolarHBondContact O-N 2.86Å; D665-Y672 HydrophobicContact CB-CE2 4.1Å; D665-L709 HydrophobicContact CB-CD1 3.98Å; D665-K787 IonicContact OD1-NZ 3.3Å; D665-K787 IonicContact OD2-NZ 2.73Å; D665-K787 PolarHBondContact OD2-NZ 2.6Å; D665-K787 VanDerWaalsContact OD2-NZ 3.12Å
666	E	88.5	Confident	93.3	Very high	77 Å²	77	25.8 Å²	25.8	36%	0.36	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-36	177.1	-59.5	-171.4	-84.9	0	0	112.2	Y572 Q615 V664 A668 D669 L685	Y572-E666 WeakPolarHBondContact CE1-OE1 3.35Å; Y572-E666 PolarHBondContact OH-OE1 3.45Å; Y572-E666 PolarHBondContact OH-OE2 3.46Å; Y572-E666 VanDerWaalsContact OH-OE2 3.05Å; Q615-E666 PolarHBondContact N-OE2 3.04Å; V664-E666 HydrophobicContact CG1-CG 4.11Å; E666-A668 PolarHBondContact O-N 3.01Å; E666-D669 PolarHBondContact O-N 2.69Å; E666-D669 VanDerWaalsContact O-N 3.12Å; E666-L685 HydrophobicContact CB-CD2 4.22Å; E666-L685 HydrophobicContact CG-CD2 3.96Å
667	A	86.6	Confident	93.4	Very high	81 Å²	81	24.5 Å²	24.5	67%	0.669	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-22.4	178.3	0	0	0	0	0	112.3	D665	D665-A667 VanDerWaalsContact C-N 3.34Å; D665-A667 WeakPolarHBondContact OD1-CA 3.35Å; D665-A667 WeakPolarHBondContact OD1-CB 3.41Å; D665-A667 PolarHBondContact OD1-N 2.93Å
668	A	89	Confident	93.3	Very high	40 Å²	40	28.1 Å²	28.1	33%	0.331	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	3.6	171.5	0	0	0	0	0	113.9	D665 E666 S670	D665-A668 HydrophobicContact CB-CB 3.93Å; D665-A668 CarbonylContact O-C 3.59Å; D665-A668 PolarHBondContact O-N 3.4Å; D665-A668 PolarHBondContact OD1-N 2.82Å; D665-A668 VanDerWaalsContact OD1-N 3.1Å; E666-A668 PolarHBondContact O-N 3.01Å; A668-S670 PolarHBondContact O-N 3.38Å; A668-S670 PolarHBondContact O-OG 3.45Å
669	D	93.1	Very high	93.2	Very high	49 Å²	49	30 Å²	30	26%	0.262	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	43.4	-174.6	169.1	53.2	0	0	0	111.3	D665 E666 T684 L685 S686 K691	D665-D669 PolarHBondContact O-N 3.28Å; D665-D669 VanDerWaalsContact O-N 3.14Å; E666-D669 PolarHBondContact O-N 2.69Å; E666-D669 VanDerWaalsContact O-N 3.12Å; D669-T684 WeakPolarHBondContact O-CA 3.21Å; D669-T684 VanDerWaalsContact OD2-CG2 3.23Å; D669-T684 WeakPolarHBondContact OD2-CG2 3.34Å; D669-L685 VanDerWaalsContact C-CB 3.49Å; D669-L685 PolarHBondContact O-N 2.86Å; D669-L685 PolarHBondContact OD1-N 2.89Å; D669-S686 WeakPolarHBondContact OD1-CB 3.49Å; D669-S686 PolarHBondContact OD1-N 2.77Å; D669-S686 PolarHBondContact OD1-OG 3.38Å; D669-S686 PolarHBondContact OD2-OG 3.24Å; D669-K691 PolarHBondContact O-NZ 2.88Å; D669-K691 IonicContact OD2-NZ 3.66Å; D669-K691 PolarHBondContact OD2-NZ 2.87Å
670	S	94.6	Very high	93.2	Very high	10 Å²	10	30 Å²	30	7%	0.07	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	141.2	-165.5	-67.3	0	0	0	0	114.1	D665 A668 Y683	D665-S670 PolarHBondContact N-O 3.04Å; D665-S670 PolarHBondContact O-N 2.86Å; A668-S670 PolarHBondContact O-N 3.38Å; A668-S670 PolarHBondContact O-OG 3.45Å; S670-Y683 CarbonylContact C-O 3.57Å; S670-Y683 WeakPolarHBondContact CA-O 3.44Å
671	V	96.4	Very high	93.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.4	177.6	-177.9	0	0	0	0	108.8	L623 I662 E663 V664 V682 Y683 L685	L623-V671 HydrophobicContact CD2-CG1 4.12Å; L623-V671 HydrophobicContact CD2-CG2 3.65Å; I662-V671 HydrophobicContact CB-CG1 4.42Å; I662-V671 HydrophobicContact CG2-CG1 4.33Å; E663-V671 CarbonylContact O-C 3.59Å; E663-V671 WeakPolarHBondContact O-CA 3.48Å; V664-V671 HydrophobicContact CG1-CG2 4.48Å; V664-V671 HydrophobicContact CG2-CG1 4.41Å; V664-V671 HydrophobicContact CG2-CG2 4.3Å; V671-V682 CarbonylContact O-C 3.56Å; V671-V682 WeakPolarHBondContact O-CA 3.37Å; V671-Y683 PolarHBondContact N-O 3.02Å; V671-Y683 PolarHBondContact O-N 2.98Å; V671-L685 HydrophobicContact CG2-CB 4.2Å; V671-L685 HydrophobicContact CG2-CD1 3.62Å
672	Y	96.7	Very high	93.1	Very high	8 Å²	8	30.9 Å²	30.9	3%	0.031	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	112.4	-176.8	-59	-87.5	0	0	0	109.6	I662 E663 D665 V680 V682 I694 L709 I716 V730	I662-Y672 CarbonylContact C-O 3.57Å; I662-Y672 VanDerWaalsContact CA-O 3.32Å; I662-Y672 WeakPolarHBondContact CA-O 3.26Å; E663-Y672 PolarHBondContact N-O 3.45Å; E663-Y672 PolarHBondContact O-N 2.95Å; D665-Y672 HydrophobicContact CB-CE2 4.1Å; Y672-V680 HydrophobicContact CD1-CG1 4.21Å; Y672-V680 HydrophobicContact CG-CG1 4.5Å; Y672-V682 HydrophobicContact CD1-CB 4.48Å; Y672-V682 HydrophobicContact CD1-CG1 4.14Å; Y672-V682 HydrophobicContact CD1-CG2 3.77Å; Y672-V682 HydrophobicContact CE1-CB 4.46Å; Y672-V682 HydrophobicContact CE1-CG1 3.81Å; Y672-V682 HydrophobicContact CE1-CG2 3.81Å; Y672-I694 HydrophobicContact CE1-CD1 4.45Å; Y672-L709 HydrophobicContact CD2-CD1 3.97Å; Y672-L709 HydrophobicContact CD2-CD2 4.22Å; Y672-L709 HydrophobicContact CD2-CG 4.42Å; Y672-L709 HydrophobicContact CE2-CD1 3.93Å; Y672-L709 HydrophobicContact CE2-CD2 4.12Å; Y672-I716 HydrophobicContact CD1-CD1 3.94Å; Y672-I716 HydrophobicContact CG-CD1 3.89Å; Y672-V730 HydrophobicContact CE1-CG1 4.03Å; Y672-V730 WeakPolarHBondContact OH-CG1 3.37Å
673	A	96.6	Very high	93.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	121.1	-177.2	0	0	0	0	0	112.1	I631 Y659 D661 I662 C675 V680 R681 Y683	I631-A673 HydrophobicContact CD1-CB 3.8Å; Y659-A673 HydrophobicContact CD1-CB 3.85Å; Y659-A673 HydrophobicContact CE1-CB 4.13Å; D661-A673 WeakPolarHBondContact O-CA 3.46Å; I662-A673 HydrophobicContact CG2-CB 3.87Å; A673-C675 PolarHBondContact O-N 3.31Å; A673-C675 PolarHBondContact O-SG 3.47Å; A673-V680 WeakPolarHBondContact O-CA 3.33Å; A673-R681 PolarHBondContact N-O 3.4Å; A673-R681 PolarHBondContact O-N 2.93Å; A673-Y683 HydrophobicContact CB-CD2 4.39Å; A673-Y683 HydrophobicContact CB-CE2 4.08Å
674	A	95.7	Very high	93	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	118.8	174.3	0	0	0	0	0	110.6	Y659 Y660 D661 V704 V707	Y659-A674 WeakPolarHBondContact CA-O 3.28Å; Y660-A674 PolarHBondContact N-O 2.99Å; D661-A674 HydrophobicContact CB-CB 4.22Å; D661-A674 PolarHBondContact O-N 3.37Å; A674-V704 HydrophobicContact CB-CB 4.04Å; A674-V704 HydrophobicContact CB-CG1 3.73Å; A674-V707 HydrophobicContact CB-CG1 3.97Å; A674-V707 HydrophobicContact CB-CG2 4.08Å
675	C	92.8	Very high	92.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	148.8	-171.4	-58.4	0	0	0	0	113.3	Y659 A673 D677 R678 Q679 R681 V704	Y659-C675 VanDerWaalsContact CD1-SG 3.56Å; Y659-C675 VanDerWaalsContact CE1-SG 3.55Å; A673-C675 PolarHBondContact O-N 3.31Å; A673-C675 PolarHBondContact O-SG 3.47Å; C675-D677 WeakPolarHBondContact CB-OD1 3.4Å; C675-D677 PolarHBondContact O-N 2.8Å; C675-R678 PolarHBondContact O-N 2.83Å; C675-Q679 VanDerWaalsContact CB-O 3.3Å; C675-Q679 WeakPolarHBondContact CB-O 3.17Å; C675-Q679 PolarHBondContact N-O 2.82Å; C675-R681 VanDerWaalsContact SG-CD 3.56Å; C675-V704 PolarHBondContact O-N 3.06Å
676	Q	90.3	Very high	92.6	Very high	70 Å²	70	31.3 Å²	31.3	33%	0.327	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.7	173.8	-161.7	-179.2	25.5	0	0	113.8	T657 S658 Y660 R678 T703	T657-Q676 HydrophobicContact CG2-CB 4.44Å; S658-Q676 PolarHBondContact O-N 3.46Å; Y660-Q676 HydrophobicContact CE2-CB 3.8Å; Y660-Q676 HydrophobicContact CE2-CG 3.98Å; Y660-Q676 PolarHBondContact OH-NE2 3.31Å; Q676-R678 PolarHBondContact O-N 3.22Å; Q676-T703 HydrophobicContact CG-CG2 4.28Å; Q676-T703 WeakPolarHBondContact O-CG2 3.4Å
677	D	89.4	Confident	92.4	Very high	48 Å²	48	30.1 Å²	30.1	26%	0.257	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	25.4	175.6	59.1	6.9	0	0	0	114.4	T657 C675 Q679 R681	T657-D677 HydrophobicContact CG2-CB 3.8Å; C675-D677 WeakPolarHBondContact CB-OD1 3.4Å; C675-D677 PolarHBondContact O-N 2.8Å; D677-Q679 PolarHBondContact O-N 3.49Å; D677-Q679 VanDerWaalsContact O-N 3.13Å; D677-Q679 PolarHBondContact O-NE2 2.96Å; D677-Q679 VanDerWaalsContact O-NE2 3.16Å; D677-R681 IonicContact OD2-CZ 3.6Å; D677-R681 IonicContact OD2-NE 3.57Å; D677-R681 PolarHBondContact OD2-NE 2.88Å; D677-R681 IonicContact OD2-NH2 2.73Å; D677-R681 PolarHBondContact OD2-NH2 3.04Å
678	R	89.8	Confident	92.5	Very high	94 Å²	94	26.3 Å²	26.3	36%	0.355	14%	0.136	S	C	.	.	S	Bend	trans	66.7	11.2	174.9	-36.1	-173.7	-167	127.5	-7	113.4	C675 Q676 G696 E700 D701 G702	C675-R678 PolarHBondContact O-N 2.83Å; Q676-R678 PolarHBondContact O-N 3.22Å; R678-G696 PolarHBondContact O-N 3Å; R678-E700 PolarHBondContact NE-O 2.74Å; R678-E700 PolarHBondContact NH1-O 3.13Å; R678-E700 PolarHBondContact NH2-O 3.18Å; R678-D701 IonicContact CZ-OD1 2.68Å; R678-D701 IonicContact NH2-OD1 3.19Å; R678-D701 PolarHBondContact NH2-OD1 2.93Å; R678-G702 WeakPolarHBondContact CB-O 3.42Å; R678-G702 WeakPolarHBondContact CG-O 3.45Å
679	Q	92.4	Very high	92.6	Very high	45 Å²	45	30.2 Å²	30.2	21%	0.21	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	153.9	177.6	-53.2	-48.7	-66.5	0	0	112	C675 D677 R681 C693 I694	C675-Q679 VanDerWaalsContact CB-O 3.3Å; C675-Q679 WeakPolarHBondContact CB-O 3.17Å; C675-Q679 PolarHBondContact N-O 2.82Å; D677-Q679 PolarHBondContact O-N 3.49Å; D677-Q679 VanDerWaalsContact O-N 3.13Å; D677-Q679 PolarHBondContact O-NE2 2.96Å; D677-Q679 VanDerWaalsContact O-NE2 3.16Å; Q679-R681 HydrophobicContact CB-CG 4.37Å; Q679-C693 VanDerWaalsContact CG-SG 3.59Å; Q679-I694 CarbonylContact C-O 3.57Å; Q679-I694 WeakPolarHBondContact CA-O 3.46Å; Q679-I694 PolarHBondContact OE1-O 3.21Å
680	V	94.9	Very high	92.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	114	151	-179.6	0	0	0	0	107.1	Y672 A673 I694 V704 V707 I716 T718	Y672-V680 HydrophobicContact CD1-CG1 4.21Å; Y672-V680 HydrophobicContact CG-CG1 4.5Å; A673-V680 WeakPolarHBondContact O-CA 3.33Å; V680-I694 HydrophobicContact CB-CB 4.38Å; V680-I694 PolarHBondContact N-O 3.22Å; V680-I694 PolarHBondContact O-N 3.25Å; V680-V704 HydrophobicContact CG2-CG1 4.29Å; V680-V707 HydrophobicContact CG1-CG1 4.11Å; V680-V707 HydrophobicContact CG2-CG1 3.58Å; V680-I716 HydrophobicContact CG1-CD1 4.14Å; V680-T718 HydrophobicContact CG2-CG2 3.95Å
681	R	94.3	Very high	92.5	Very high	52 Å²	52	36.1 Å²	36.1	20%	0.196	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	131.6	177.6	-69	179.2	179.5	-111.7	2.9	109.3	A673 C675 D677 Q679 Y683	A673-R681 PolarHBondContact N-O 3.4Å; A673-R681 PolarHBondContact O-N 2.93Å; C675-R681 VanDerWaalsContact SG-CD 3.56Å; D677-R681 IonicContact OD2-CZ 3.6Å; D677-R681 IonicContact OD2-NE 3.57Å; D677-R681 PolarHBondContact OD2-NE 2.88Å; D677-R681 IonicContact OD2-NH2 2.73Å; D677-R681 PolarHBondContact OD2-NH2 3.04Å; Q679-R681 HydrophobicContact CB-CG 4.37Å; R681-Y683 HydrophobicContact CB-CD2 4.35Å; R681-Y683 HydrophobicContact CB-CE2 3.54Å; R681-Y683 WeakPolarHBondContact CD-OH 3.32Å
682	V	95.1	Very high	92.2	Very high	9 Å²	9	38.5 Å²	38.5	6%	0.055	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	118.4	-179.6	-166.5	0	0	0	0	109.3	V671 Y672 Q690 K691 A692 I694	V671-V682 CarbonylContact O-C 3.56Å; V671-V682 WeakPolarHBondContact O-CA 3.37Å; Y672-V682 HydrophobicContact CD1-CB 4.48Å; Y672-V682 HydrophobicContact CD1-CG1 4.14Å; Y672-V682 HydrophobicContact CD1-CG2 3.77Å; Y672-V682 HydrophobicContact CE1-CB 4.46Å; Y672-V682 HydrophobicContact CE1-CG1 3.81Å; Y672-V682 HydrophobicContact CE1-CG2 3.81Å; V682-Q690 CarbonylContact O-C 3.55Å; V682-Q690 WeakPolarHBondContact O-CG 3.27Å; V682-K691 PolarHBondContact O-N 2.83Å; V682-A692 HydrophobicContact CB-CB 3.97Å; V682-A692 HydrophobicContact CG2-CB 4.05Å; V682-A692 PolarHBondContact N-O 3.48Å; V682-A692 PolarHBondContact O-N 2.96Å; V682-I694 HydrophobicContact CG2-CD1 4.27Å; V682-I694 HydrophobicContact CG2-CG1 4.4Å
683	Y	94.9	Very high	92	Very high	7 Å²	7	41.2 Å²	41.2	3%	0.027	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	151.5	177.2	-61.8	-88.5	0	0	0	111.3	I631 I653 Y659 S670 V671 A673 R681 K689 Q690	I631-Y683 HydrophobicContact CD1-CD2 3.95Å; I631-Y683 HydrophobicContact CD1-CE2 3.71Å; I653-Y683 HydrophobicContact CD1-CD1 3.66Å; I653-Y683 HydrophobicContact CD1-CE1 4.04Å; I653-Y683 HydrophobicContact CD1-CG 4.16Å; I653-Y683 HydrophobicContact CG2-CD1 4.47Å; I653-Y683 HydrophobicContact CG2-CE1 3.81Å; Y659-Y683 PolarHBondContact OH-OH 2.82Å; Y659-Y683 VanDerWaalsContact OH-OH 3.12Å; S670-Y683 CarbonylContact C-O 3.57Å; S670-Y683 WeakPolarHBondContact CA-O 3.44Å; V671-Y683 PolarHBondContact N-O 3.02Å; V671-Y683 PolarHBondContact O-N 2.98Å; A673-Y683 HydrophobicContact CB-CD2 4.39Å; A673-Y683 HydrophobicContact CB-CE2 4.08Å; R681-Y683 HydrophobicContact CB-CD2 4.35Å; R681-Y683 HydrophobicContact CB-CE2 3.54Å; R681-Y683 WeakPolarHBondContact CD-OH 3.32Å; Y683-K689 CarbonylContact C-O 3.58Å; Y683-K689 VanDerWaalsContact CA-O 3.24Å; Y683-K689 WeakPolarHBondContact CA-O 3.48Å; Y683-Q690 HydrophobicContact CD1-CB 3.83Å; Y683-Q690 HydrophobicContact CD1-CG 4.2Å; Y683-Q690 HydrophobicContact CE1-CB 3.7Å; Y683-Q690 HydrophobicContact CE1-CG 3.97Å
684	T	94.4	Very high	91.7	Very high	10 Å²	10	41.8 Å²	41.8	6%	0.061	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	136.7	166.6	-41.7	0	0	0	0	110.2	Y633 D669 S686 D687 G688 K689 K691	Y633-T684 PolarHBondContact OH-O 2.99Å; D669-T684 WeakPolarHBondContact O-CA 3.21Å; D669-T684 VanDerWaalsContact OD2-CG2 3.23Å; D669-T684 WeakPolarHBondContact OD2-CG2 3.34Å; T684-S686 WeakPolarHBondContact CG2-OG 3.37Å; T684-D687 WeakPolarHBondContact CB-OD1 3.33Å; T684-D687 HydrophobicContact CG2-CB 4.25Å; T684-D687 VanDerWaalsContact CG2-OD1 3.3Å; T684-D687 WeakPolarHBondContact CG2-OD1 3.32Å; T684-D687 PolarHBondContact OG1-OD1 3.14Å; T684-G688 WeakPolarHBondContact O-CA 3.43Å; T684-G688 PolarHBondContact O-N 3.5Å; T684-G688 VanDerWaalsContact O-N 3.13Å; T684-K689 PolarHBondContact N-O 2.84Å; T684-K689 PolarHBondContact OG1-O 3.01Å; T684-K691 WeakPolarHBondContact OG1-CE 3.48Å
685	L	92.1	Very high	91.3	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.026	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-43.5	172.3	-177.1	63.4	0	0	0	111.9	V614 V616 L623 Y633 V664 E666 D669 V671	V614-L685 HydrophobicContact CB-CD1 4.12Å; V614-L685 HydrophobicContact CG1-CD1 4Å; V614-L685 HydrophobicContact CG2-CD1 3.87Å; V616-L685 HydrophobicContact CG2-CD1 4.48Å; V616-L685 HydrophobicContact CG2-CD2 3.93Å; V616-L685 HydrophobicContact CG2-CG 3.77Å; L623-L685 HydrophobicContact CD2-CD1 4.09Å; Y633-L685 WeakPolarHBondContact CE1-O 3.45Å; V664-L685 HydrophobicContact CG1-CD1 3.83Å; V664-L685 HydrophobicContact CG1-CD2 3.95Å; V664-L685 HydrophobicContact CG1-CG 4.48Å; E666-L685 HydrophobicContact CB-CD2 4.22Å; E666-L685 HydrophobicContact CG-CD2 3.96Å; D669-L685 VanDerWaalsContact C-CB 3.49Å; D669-L685 PolarHBondContact O-N 2.86Å; D669-L685 PolarHBondContact OD1-N 2.89Å; V671-L685 HydrophobicContact CG2-CB 4.2Å; V671-L685 HydrophobicContact CG2-CD1 3.62Å
686	S	87.9	Confident	91	Very high	52 Å²	52	48.4 Å²	48.4	36%	0.364	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-43.7	-178.9	54.1	0	0	0	0	114	R621 D669 T684	R621-S686 PolarHBondContact NH1-O 2.98Å; D669-S686 WeakPolarHBondContact OD1-CB 3.49Å; D669-S686 PolarHBondContact OD1-N 2.77Å; D669-S686 PolarHBondContact OD1-OG 3.38Å; D669-S686 PolarHBondContact OD2-OG 3.24Å; T684-S686 WeakPolarHBondContact CG2-OG 3.37Å
687	D	83.7	Confident	90.9	Very high	53 Å²	53	45.4 Å²	45.4	28%	0.283	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-12.5	-171.9	94.2	-14.3	0	0	0	117	R651 T684 K689	R651-D687 WeakPolarHBondContact CD-O 3.5Å; R651-D687 PolarHBondContact NE-O 3.09Å; R651-D687 PolarHBondContact NH1-O 3.08Å; T684-D687 WeakPolarHBondContact CB-OD1 3.33Å; T684-D687 HydrophobicContact CG2-CB 4.25Å; T684-D687 VanDerWaalsContact CG2-OD1 3.3Å; T684-D687 WeakPolarHBondContact CG2-OD1 3.32Å; T684-D687 PolarHBondContact OG1-OD1 3.14Å; D687-K689 PolarHBondContact O-N 2.85Å; D687-K689 WeakPolarHBondContact OD1-CB 3.28Å; D687-K689 WeakPolarHBondContact OD1-CG 3.31Å; D687-K689 PolarHBondContact OD1-N 3.07Å; D687-K689 WeakPolarHBondContact OD2-CD 3.4Å; D687-K689 WeakPolarHBondContact OD2-CE 2.96Å; D687-K689 WeakPolarHBondContact OD2-CG 2.96Å; D687-K689 IonicContact OD2-NZ 2.78Å; D687-K689 PolarHBondContact OD2-NZ 2.87Å
688	G	88.6	Confident	90.9	Very high	1 Å²	1	47 Å²	47	1%	0.01	24%	0.235	C	C	.	.			trans	66.9	21.9	-179.6	0	0	0	0	0	116.8	R651 I653 T684	R651-G688 VanDerWaalsContact CZ-C 3.48Å; R651-G688 PolarHBondContact NE-O 3.29Å; R651-G688 VanDerWaalsContact NE-O 3.14Å; R651-G688 PolarHBondContact NH2-O 2.52Å; R651-G688 VanDerWaalsContact NH2-O 3.09Å; I653-G688 WeakPolarHBondContact CD1-O 3.21Å; T684-G688 WeakPolarHBondContact O-CA 3.43Å; T684-G688 PolarHBondContact O-N 3.5Å; T684-G688 VanDerWaalsContact O-N 3.13Å
689	K	91.8	Very high	90.7	Very high	122 Å²	122	43.8 Å²	43.8	53%	0.53	23%	0.229	S	C	.	.			trans	-78.2	151.8	164.3	-66	177.6	-168.3	126.4	0	110.4	Y683 T684 D687 K691	Y683-K689 CarbonylContact C-O 3.58Å; Y683-K689 VanDerWaalsContact CA-O 3.24Å; Y683-K689 WeakPolarHBondContact CA-O 3.48Å; T684-K689 PolarHBondContact N-O 2.84Å; T684-K689 PolarHBondContact OG1-O 3.01Å; D687-K689 PolarHBondContact O-N 2.85Å; D687-K689 WeakPolarHBondContact OD1-CB 3.28Å; D687-K689 WeakPolarHBondContact OD1-CG 3.31Å; D687-K689 PolarHBondContact OD1-N 3.07Å; D687-K689 WeakPolarHBondContact OD2-CD 3.4Å; D687-K689 WeakPolarHBondContact OD2-CE 2.96Å; D687-K689 WeakPolarHBondContact OD2-CG 2.96Å; D687-K689 IonicContact OD2-NZ 2.78Å; D687-K689 PolarHBondContact OD2-NZ 2.87Å; K689-K691 PolarHBondContact O-N 2.83Å
690	Q	93	Very high	90.2	Very high	81 Å²	81	50.2 Å²	50.2	38%	0.379	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	120.9	170.5	-163.8	179.3	-25.9	0	0	109.2	V682 Y683 A692	V682-Q690 CarbonylContact O-C 3.55Å; V682-Q690 WeakPolarHBondContact O-CG 3.27Å; Y683-Q690 HydrophobicContact CD1-CB 3.83Å; Y683-Q690 HydrophobicContact CD1-CG 4.2Å; Y683-Q690 HydrophobicContact CE1-CB 3.7Å; Y683-Q690 HydrophobicContact CE1-CG 3.97Å; Q690-A692 PolarHBondContact NE2-O 3.49Å
691	K	91	Very high	89.6	Confident	102 Å²	102	56.3 Å²	56.3	44%	0.443	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-45.9	176	-75.8	177.1	173.7	170.8	0	112.1	D669 V682 T684 K689	D669-K691 PolarHBondContact O-NZ 2.88Å; D669-K691 IonicContact OD2-NZ 3.66Å; D669-K691 PolarHBondContact OD2-NZ 2.87Å; V682-K691 PolarHBondContact O-N 2.83Å; T684-K691 WeakPolarHBondContact OG1-CE 3.48Å; K689-K691 PolarHBondContact O-N 2.83Å
692	A	91.9	Very high	89.1	Confident	50 Å²	50	53.8 Å²	53.8	41%	0.413	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	-177.4	-171.5	0	0	0	0	0	113	V682 Q690	V682-A692 HydrophobicContact CB-CB 3.97Å; V682-A692 HydrophobicContact CG2-CB 4.05Å; V682-A692 PolarHBondContact N-O 3.48Å; V682-A692 PolarHBondContact O-N 2.96Å; Q690-A692 PolarHBondContact NE2-O 3.49Å
693	C	91	Very high	88.9	Confident	65 Å²	65	54.9 Å²	54.9	44%	0.439	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	122.1	179.8	-159.9	0	0	0	0	108.8	Q679	Q679-C693 VanDerWaalsContact CG-SG 3.59Å
694	I	91.1	Very high	88.9	Confident	11 Å²	11	54.5 Å²	54.5	6%	0.056	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	142	175.4	-58.1	168.5	0	0	0	107.2	Y672 Q679 V680 V682 G696 F728	Y672-I694 HydrophobicContact CE1-CD1 4.45Å; Q679-I694 CarbonylContact C-O 3.57Å; Q679-I694 WeakPolarHBondContact CA-O 3.46Å; Q679-I694 PolarHBondContact OE1-O 3.21Å; V680-I694 HydrophobicContact CB-CB 4.38Å; V680-I694 PolarHBondContact N-O 3.22Å; V680-I694 PolarHBondContact O-N 3.25Å; V682-I694 HydrophobicContact CG2-CD1 4.27Å; V682-I694 HydrophobicContact CG2-CG1 4.4Å; I694-G696 PolarHBondContact O-N 3.21Å; I694-F728 HydrophobicContact CG2-CB 4.34Å; I694-F728 HydrophobicContact CG2-CD1 4.2Å; I694-F728 HydrophobicContact CG2-CG 4.2Å
695	K	87.9	Confident	88.8	Confident	139 Å²	139	54.9 Å²	54.9	60%	0.604	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	115	169.9	-67.1	-173.3	177.3	-170.5	0	107.8	S697 F728	K695-S697 VanDerWaalsContact C-N 3.3Å; K695-S697 PolarHBondContact O-N 2.61Å; K695-F728 WeakPolarHBondContact O-CE1 3.43Å; K695-F728 WeakPolarHBondContact O-CE2 3.42Å; K695-F728 WeakPolarHBondContact O-CZ 3.33Å
696	G	85.1	Confident	89	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.299	C	S	.	.	S	Bend	trans	-86.4	1.3	-177.8	0	0	0	0	0	114.5	R678 I694 T718	R678-G696 PolarHBondContact O-N 3Å; I694-G696 PolarHBondContact O-N 3.21Å; G696-T718 PolarHBondContact O-OG1 2.96Å
697	S	88.6	Confident	89.4	Confident	7 Å²	7	54.9 Å²	54.9	5%	0.049	28%	0.282	C	S	.	.			trans	-151.1	152.4	173.5	-172.9	0	0	0	0	109.7	K695 A699 G702 S720 Y726	K695-S697 VanDerWaalsContact C-N 3.3Å; K695-S697 PolarHBondContact O-N 2.61Å; S697-A699 PolarHBondContact OG-N 2.79Å; S697-G702 VanDerWaalsContact CB-O 3.31Å; S697-G702 WeakPolarHBondContact CB-O 3.34Å; S697-S720 VanDerWaalsContact CB-OG 3.31Å; S697-S720 WeakPolarHBondContact CB-OG 3.03Å; S697-S720 PolarHBondContact OG-OG 3.26Å; S697-Y726 VanDerWaalsContact OG-CE2 3.3Å; S697-Y726 WeakPolarHBondContact OG-CE2 3.5Å
698	L	88.6	Confident	90	Very high	81 Å²	81	53.5 Å²	53.5	42%	0.424	27%	0.274	S	S	.	.	S	Bend	trans	-95.7	-10.4	169.8	-58.9	-177.2	0	0	0	112.8	Y726 F728 C735 V738	L698-Y726 HydrophobicContact CB-CD1 4.33Å; L698-Y726 HydrophobicContact CB-CE1 3.57Å; L698-Y726 HydrophobicContact CD1-CD1 4.14Å; L698-Y726 HydrophobicContact CD1-CE1 3.88Å; L698-Y726 HydrophobicContact CG-CD1 3.85Å; L698-Y726 HydrophobicContact CG-CE1 3.58Å; L698-F728 HydrophobicContact CD2-CE1 4.41Å; L698-C735 HydrophobicContact CD1-CB 4.01Å; L698-C735 HydrophobicContact CD2-CB 4.23Å; L698-C735 HydrophobicContact CG-CB 4.39Å; L698-V738 HydrophobicContact CD1-CG2 3.99Å
699	A	85.9	Confident	90.3	Very high	28 Å²	28	54.4 Å²	54.4	23%	0.231	28%	0.278	C	S	.	.	S	Bend	trans	-76.8	141.4	-179.3	0	0	0	0	0	111.9	S697 D701 G702 D722	S697-A699 PolarHBondContact OG-N 2.79Å; A699-D701 PolarHBondContact O-N 2.98Å; A699-D701 VanDerWaalsContact O-N 3.09Å; A699-G702 PolarHBondContact O-N 2.9Å; A699-D722 HydrophobicContact CB-CB 3.86Å
700	E	83.1	Confident	90.3	Very high	180 Å²	180	48.8 Å²	48.8	84%	0.841	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-10.6	-178.5	-66.6	-166	150.8	0	0	114.1	R678	R678-E700 PolarHBondContact NE-O 2.74Å; R678-E700 PolarHBondContact NH1-O 3.13Å; R678-E700 PolarHBondContact NH2-O 3.18Å
701	D	81.7	Confident	90.1	Very high	127 Å²	127	47.1 Å²	47.1	68%	0.679	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.8	6.3	173.1	-92.4	-40.7	0	0	0	115.2	R678 A699 T703	R678-D701 IonicContact CZ-OD1 2.68Å; R678-D701 IonicContact NH2-OD1 3.19Å; R678-D701 PolarHBondContact NH2-OD1 2.93Å; A699-D701 PolarHBondContact O-N 2.98Å; A699-D701 VanDerWaalsContact O-N 3.09Å; D701-T703 PolarHBondContact O-N 2.92Å
702	G	83.5	Confident	89.9	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.229	C	C	.	.			trans	-74.7	104.3	-175.7	0	0	0	0	0	113.9	R678 S697 A699 S720 S721	R678-G702 WeakPolarHBondContact CB-O 3.42Å; R678-G702 WeakPolarHBondContact CG-O 3.45Å; S697-G702 VanDerWaalsContact CB-O 3.31Å; S697-G702 WeakPolarHBondContact CB-O 3.34Å; A699-G702 PolarHBondContact O-N 2.9Å; G702-S720 VanDerWaalsContact C-OG 3.23Å; G702-S720 VanDerWaalsContact CA-OG 3.23Å; G702-S720 WeakPolarHBondContact CA-OG 3.01Å; G702-S720 PolarHBondContact O-OG 2.88Å; G702-S721 WeakPolarHBondContact CA-OG 3.33Å
703	T	91	Very high	89.8	Confident	31 Å²	31	40.1 Å²	40.1	19%	0.19	21%	0.212	C	C	.	.			trans	-68.5	156.2	167.3	73	0	0	0	0	109.8	Q676 D701 S720 S721	Q676-T703 HydrophobicContact CG-CG2 4.28Å; Q676-T703 WeakPolarHBondContact O-CG2 3.4Å; D701-T703 PolarHBondContact O-N 2.92Å; T703-S720 CarbonylContact O-C 3.54Å; T703-S720 WeakPolarHBondContact O-CA 3.49Å; T703-S720 WeakPolarHBondContact O-CB 3.48Å; T703-S720 PolarHBondContact O-OG 3.16Å; T703-S721 PolarHBondContact N-OG 2.9Å; T703-S721 PolarHBondContact O-N 2.84Å; T703-S721 WeakPolarHBondContact OG1-CB 3.32Å; T703-S721 PolarHBondContact OG1-OG 2.99Å
704	V	94.1	Very high	89.8	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	133.3	174.8	-164.5	0	0	0	0	108.9	Y660 A674 C675 V680 V707 T718	Y660-V704 WeakPolarHBondContact CD2-O 3.18Å; A674-V704 HydrophobicContact CB-CB 4.04Å; A674-V704 HydrophobicContact CB-CG1 3.73Å; C675-V704 PolarHBondContact O-N 3.06Å; V680-V704 HydrophobicContact CG2-CG1 4.29Å; V704-V707 HydrophobicContact CG1-CG1 4.3Å; V704-T718 HydrophobicContact CG1-CG2 4.4Å
705	I	93.4	Very high	89.9	Confident	18 Å²	18	36.8 Å²	36.8	9%	0.092	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	-51.5	-176.7	-57.3	174.7	0	0	0	110.9	Y660 S719 L745 L1018	Y660-I705 WeakPolarHBondContact CB-O 3.18Å; I705-S719 PolarHBondContact N-O 2.86Å; I705-L745 HydrophobicContact CD1-CD1 4.38Å; I705-L745 HydrophobicContact CD1-CD2 4.08Å; I705-L1018 HydrophobicContact CD1-CD1 4.42Å
706	K	96.1	Very high	90.3	Very high	55 Å²	55	30.1 Å²	30.1	24%	0.239	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	153	174.1	-71.9	-61.3	-161.2	177	0	112.1	D661 T718 S719 T747 I749	D661-K706 HydrophobicContact CB-CD 4.27Å; D661-K706 WeakPolarHBondContact OD2-CD 3.32Å; D661-K706 WeakPolarHBondContact OD2-CE 3.3Å; D661-K706 IonicContact OD2-NZ 3.64Å; D661-K706 PolarHBondContact OD2-NZ 3.11Å; K706-T718 VanDerWaalsContact O-CA 3.25Å; K706-T718 WeakPolarHBondContact O-CA 3.39Å; K706-S719 WeakPolarHBondContact CB-OG 3.45Å; K706-S719 PolarHBondContact N-OG 3.28Å; K706-S719 VanDerWaalsContact N-OG 3.08Å; K706-S719 PolarHBondContact O-N 3.39Å; K706-S719 VanDerWaalsContact O-N 3.13Å; K706-T747 VanDerWaalsContact CE-O 3.28Å; K706-T747 WeakPolarHBondContact CE-O 3.39Å; K706-T747 VanDerWaalsContact CG-O 3.31Å; K706-T747 WeakPolarHBondContact CG-O 3.33Å; K706-I749 HydrophobicContact CB-CD1 4.47Å
707	V	96.8	Very high	90.9	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.012	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	135.9	167.8	-81.8	0	0	0	0	108.3	D661 E663 A674 V680 V704 I716 A717 T718	D661-V707 HydrophobicContact CB-CG2 4.02Å; E663-V707 HydrophobicContact CB-CG2 4.18Å; A674-V707 HydrophobicContact CB-CG1 3.97Å; A674-V707 HydrophobicContact CB-CG2 4.08Å; V680-V707 HydrophobicContact CG1-CG1 4.11Å; V680-V707 HydrophobicContact CG2-CG1 3.58Å; V704-V707 HydrophobicContact CG1-CG1 4.3Å; V707-I716 HydrophobicContact CB-CD1 4.15Å; V707-I716 HydrophobicContact CB-CG1 4.49Å; V707-I716 HydrophobicContact CG1-CD1 4.04Å; V707-A717 WeakPolarHBondContact CA-O 3.43Å; V707-T718 HydrophobicContact CG1-CG2 3.81Å
708	E	96.5	Very high	91.3	Very high	24 Å²	24	29.8 Å²	29.8	11%	0.112	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	130.4	178.2	177.6	74.3	-178.7	0	0	108	I716 A717 I749 K750 F751	E708-I716 CarbonylContact O-C 3.51Å; E708-I716 WeakPolarHBondContact O-CA 3.45Å; E708-A717 PolarHBondContact N-O 2.88Å; E708-A717 PolarHBondContact O-N 2.95Å; E708-I749 HydrophobicContact CB-CB 4.25Å; E708-I749 HydrophobicContact CB-CG2 4.06Å; E708-I749 HydrophobicContact CG-CG2 4.33Å; E708-K750 WeakPolarHBondContact OE1-CD 3.47Å; E708-K750 WeakPolarHBondContact OE1-CE 3.47Å; E708-K750 IonicContact OE1-NZ 3.49Å; E708-K750 PolarHBondContact OE1-NZ 3.45Å; E708-K750 WeakPolarHBondContact OE2-CE 3.17Å; E708-K750 IonicContact OE2-NZ 2.75Å; E708-K750 PolarHBondContact OE2-NZ 2.84Å; E708-F751 HydrophobicContact CG-CD2 4.03Å
709	L	94.9	Very high	91.6	Very high	20 Å²	20	26 Å²	26	11%	0.105	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	147.2	173.7	-70.6	171.7	0	0	0	110.5	E663 D665 Y672 I716 V730	E663-L709 HydrophobicContact CG-CB 4.33Å; E663-L709 HydrophobicContact CG-CD1 4.07Å; E663-L709 HydrophobicContact CG-CG 3.97Å; D665-L709 HydrophobicContact CB-CD1 3.98Å; Y672-L709 HydrophobicContact CD2-CD1 3.97Å; Y672-L709 HydrophobicContact CD2-CD2 4.22Å; Y672-L709 HydrophobicContact CD2-CG 4.42Å; Y672-L709 HydrophobicContact CE2-CD1 3.93Å; Y672-L709 HydrophobicContact CE2-CD2 4.12Å; L709-I716 HydrophobicContact CD2-CB 3.94Å; L709-I716 HydrophobicContact CD2-CD1 4.13Å; L709-I716 HydrophobicContact CD2-CG1 4.05Å; L709-V730 HydrophobicContact CD2-CG2 4.08Å
710	D	92.3	Very high	92	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.021	13%	0.127	C	C	.	.			trans	-69.6	157.1	164.8	89.3	-90.4	0	0	0	110.8	S712 G713 S714 F715 F751 I780	D710-S712 PolarHBondContact O-N 2.92Å; D710-S712 PolarHBondContact OD1-OG 2.98Å; D710-S712 WeakPolarHBondContact OD2-CA 3.31Å; D710-S712 WeakPolarHBondContact OD2-CB 3.36Å; D710-S712 PolarHBondContact OD2-N 2.79Å; D710-S712 PolarHBondContact OD2-OG 2.9Å; D710-G713 PolarHBondContact O-N 3.06Å; D710-S714 WeakPolarHBondContact OD1-CA 3.49Å; D710-S714 VanDerWaalsContact OD1-CB 3.3Å; D710-S714 WeakPolarHBondContact OD1-CB 3.37Å; D710-S714 PolarHBondContact OD1-N 2.98Å; D710-F715 PolarHBondContact N-O 3.08Å; D710-F715 PolarHBondContact OD1-N 2.97Å; D710-F751 HydrophobicContact CB-CD1 4.26Å; D710-F751 HydrophobicContact CB-CD2 3.93Å; D710-F751 HydrophobicContact CB-CE1 4.24Å; D710-F751 HydrophobicContact CB-CE2 3.91Å; D710-F751 HydrophobicContact CB-CG 4.11Å; D710-F751 HydrophobicContact CB-CZ 4.07Å; D710-I780 HydrophobicContact CB-CD1 4.12Å; D710-I780 HydrophobicContact CB-CG1 4.3Å; D710-I780 WeakPolarHBondContact OD2-CG1 3.35Å; D710-I780 WeakPolarHBondContact OD2-CG2 3.25Å
711	P	87	Confident	92.3	Very high	46 Å²	46	18.2 Å²	18.2	30%	0.299	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-15	-175.8	-25.6	35.4	0	0	0	115.9	Y753 L784	P711-Y753 HydrophobicContact CB-CD1 4.48Å; P711-Y753 HydrophobicContact CB-CE1 4.36Å; P711-Y753 HydrophobicContact CG-CD1 4.21Å; P711-Y753 HydrophobicContact CG-CE1 4.26Å; P711-L784 HydrophobicContact CB-CD1 4.3Å; P711-L784 HydrophobicContact CB-CD2 4.13Å; P711-L784 WeakPolarHBondContact O-CD2 3.31Å
712	S	87.9	Confident	92.7	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.007	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-14.5	172.8	77.6	0	0	0	0	114.4	D710 S714 I780 K787	D710-S712 PolarHBondContact O-N 2.92Å; D710-S712 PolarHBondContact OD1-OG 2.98Å; D710-S712 WeakPolarHBondContact OD2-CA 3.31Å; D710-S712 WeakPolarHBondContact OD2-CB 3.36Å; D710-S712 PolarHBondContact OD2-N 2.79Å; D710-S712 PolarHBondContact OD2-OG 2.9Å; S712-S714 WeakPolarHBondContact OG-CB 3.38Å; S712-S714 PolarHBondContact OG-N 3.18Å; S712-S714 PolarHBondContact OG-OG 3.42Å; S712-I780 WeakPolarHBondContact CB-O 3.33Å; S712-K787 WeakPolarHBondContact O-CE 3.4Å; S712-K787 PolarHBondContact O-NZ 3.48Å
713	G	89.9	Confident	93	Very high	4 Å²	4	15.7 Å²	15.7	4%	0.041	9%	0.086	C	C	.	.	S	Bend	trans	73	24.2	-173.2	0	0	0	0	0	114.2	D710	D710-G713 PolarHBondContact O-N 3.06Å
714	S	90.4	Very high	93.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	-91.1	-36.7	-175.7	-68.5	0	0	0	0	114	D710 S712 V730 R783	D710-S714 WeakPolarHBondContact OD1-CA 3.49Å; D710-S714 VanDerWaalsContact OD1-CB 3.3Å; D710-S714 WeakPolarHBondContact OD1-CB 3.37Å; D710-S714 PolarHBondContact OD1-N 2.98Å; S712-S714 WeakPolarHBondContact OG-CB 3.38Å; S712-S714 PolarHBondContact OG-N 3.18Å; S712-S714 PolarHBondContact OG-OG 3.42Å; S714-V730 WeakPolarHBondContact O-CB 3.33Å; S714-V730 PolarHBondContact O-N 3.31Å; S714-R783 WeakPolarHBondContact OG-CD 3.48Å; S714-R783 PolarHBondContact OG-NH1 2.86Å
715	F	93.9	Very high	93.1	Very high	5 Å²	5	14.9 Å²	14.9	2%	0.022	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	146.2	-171.8	-56.9	-78.4	0	0	0	108.9	D710 V727 F728 D729 V736 L776 A779 I780	D710-F715 PolarHBondContact N-O 3.08Å; D710-F715 PolarHBondContact OD1-N 2.97Å; F715-V727 HydrophobicContact CB-CG1 4.05Å; F715-F728 CarbonylContact C-O 3.56Å; F715-F728 WeakPolarHBondContact CA-O 3.49Å; F715-D729 HydrophobicContact CD1-CB 4.22Å; F715-D729 HydrophobicContact CE1-CB 4.12Å; F715-V736 HydrophobicContact CD1-CG2 4.09Å; F715-V736 HydrophobicContact CE1-CG2 4.32Å; F715-L776 HydrophobicContact CD1-CD1 3.87Å; F715-L776 HydrophobicContact CD2-CD1 3.61Å; F715-L776 HydrophobicContact CE1-CD1 3.72Å; F715-L776 HydrophobicContact CE2-CD1 3.46Å; F715-L776 VanDerWaalsContact CE2-CD1 3.46Å; F715-L776 HydrophobicContact CG-CD1 3.82Å; F715-L776 HydrophobicContact CZ-CD1 3.51Å; F715-A779 HydrophobicContact CE2-CB 3.99Å; F715-A779 HydrophobicContact CZ-CB 4.14Å; F715-I780 HydrophobicContact CD2-CD1 4.36Å; F715-I780 HydrophobicContact CD2-CG1 3.84Å; F715-I780 HydrophobicContact CE2-CG1 4.06Å
716	I	95.7	Very high	93.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	122.7	176.7	-169.3	169.5	0	0	0	108.7	Y672 V680 V707 E708 L709 T718 V727 F728 V730	Y672-I716 HydrophobicContact CD1-CD1 3.94Å; Y672-I716 HydrophobicContact CG-CD1 3.89Å; V680-I716 HydrophobicContact CG1-CD1 4.14Å; V707-I716 HydrophobicContact CB-CD1 4.15Å; V707-I716 HydrophobicContact CB-CG1 4.49Å; V707-I716 HydrophobicContact CG1-CD1 4.04Å; E708-I716 CarbonylContact O-C 3.51Å; E708-I716 WeakPolarHBondContact O-CA 3.45Å; L709-I716 HydrophobicContact CD2-CB 3.94Å; L709-I716 HydrophobicContact CD2-CD1 4.13Å; L709-I716 HydrophobicContact CD2-CG1 4.05Å; I716-T718 HydrophobicContact CG1-CG2 4.34Å; I716-V727 WeakPolarHBondContact O-CA 3.5Å; I716-F728 HydrophobicContact CG2-CB 3.89Å; I716-F728 PolarHBondContact N-O 3.01Å; I716-F728 PolarHBondContact O-N 2.97Å; I716-V730 HydrophobicContact CB-CG2 4Å; I716-V730 HydrophobicContact CG2-CG2 4.07Å
717	A	97.1	Very high	93.2	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	137.2	172.3	0	0	0	0	0	109.4	V707 E708 V725 Y726 V727 I749 F751 L758	V707-A717 WeakPolarHBondContact CA-O 3.43Å; E708-A717 PolarHBondContact N-O 2.88Å; E708-A717 PolarHBondContact O-N 2.95Å; A717-V725 HydrophobicContact CB-CG1 4.48Å; A717-Y726 CarbonylContact C-O 3.51Å; A717-Y726 VanDerWaalsContact CA-O 3.32Å; A717-Y726 WeakPolarHBondContact CA-O 3.27Å; A717-V727 HydrophobicContact CB-CG2 4.49Å; A717-I749 HydrophobicContact CB-CG2 3.9Å; A717-F751 HydrophobicContact CB-CE2 3.69Å; A717-F751 HydrophobicContact CB-CZ 3.93Å; A717-L758 HydrophobicContact CB-CD1 4.29Å; A717-L758 HydrophobicContact CB-CD2 4.45Å
718	T	97.2	Very high	93	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	133.6	-178	67.2	0	0	0	0	111.7	V680 G696 V704 K706 V707 I716 V725 Y726 F728	V680-T718 HydrophobicContact CG2-CG2 3.95Å; G696-T718 PolarHBondContact O-OG1 2.96Å; V704-T718 HydrophobicContact CG1-CG2 4.4Å; K706-T718 VanDerWaalsContact O-CA 3.25Å; K706-T718 WeakPolarHBondContact O-CA 3.39Å; V707-T718 HydrophobicContact CG1-CG2 3.81Å; I716-T718 HydrophobicContact CG1-CG2 4.34Å; T718-V725 CarbonylContact O-C 3.49Å; T718-V725 VanDerWaalsContact O-CA 3.25Å; T718-V725 WeakPolarHBondContact O-CA 3.45Å; T718-Y726 PolarHBondContact N-O 3.3Å; T718-Y726 PolarHBondContact O-N 3.07Å; T718-F728 HydrophobicContact CG2-CD2 4.42Å; T718-F728 HydrophobicContact CG2-CE2 4.49Å
719	S	95.8	Very high	92.8	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	147.1	168.1	67.7	0	0	0	0	110.6	I705 K706 V746 I749	I705-S719 PolarHBondContact N-O 2.86Å; K706-S719 WeakPolarHBondContact CB-OG 3.45Å; K706-S719 PolarHBondContact N-OG 3.28Å; K706-S719 VanDerWaalsContact N-OG 3.08Å; K706-S719 PolarHBondContact O-N 3.39Å; K706-S719 VanDerWaalsContact O-N 3.13Å; S719-V746 WeakPolarHBondContact CB-O 3.39Å; S719-V746 PolarHBondContact OG-O 3.38Å; S719-I749 VanDerWaalsContact N-CD1 3.32Å
720	S	93.1	Very high	92.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	155.4	-179.1	-168.9	0	0	0	0	113.3	S697 G702 T703 D722 K723 N724	S697-S720 VanDerWaalsContact CB-OG 3.31Å; S697-S720 WeakPolarHBondContact CB-OG 3.03Å; S697-S720 PolarHBondContact OG-OG 3.26Å; G702-S720 VanDerWaalsContact C-OG 3.23Å; G702-S720 VanDerWaalsContact CA-OG 3.23Å; G702-S720 WeakPolarHBondContact CA-OG 3.01Å; G702-S720 PolarHBondContact O-OG 2.88Å; T703-S720 CarbonylContact O-C 3.54Å; T703-S720 WeakPolarHBondContact O-CA 3.49Å; T703-S720 WeakPolarHBondContact O-CB 3.48Å; T703-S720 PolarHBondContact O-OG 3.16Å; S720-D722 WeakPolarHBondContact CB-OD1 3.31Å; S720-D722 PolarHBondContact O-N 2.86Å; S720-K723 PolarHBondContact O-N 2.95Å; S720-N724 PolarHBondContact N-O 3.24Å
721	S	90.9	Very high	92.5	Very high	45 Å²	45	18.6 Å²	18.6	32%	0.315	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-6.8	178.8	67.9	0	0	0	0	114.6	G702 T703 K723	G702-S721 WeakPolarHBondContact CA-OG 3.33Å; T703-S721 PolarHBondContact N-OG 2.9Å; T703-S721 PolarHBondContact O-N 2.84Å; T703-S721 WeakPolarHBondContact OG1-CB 3.32Å; T703-S721 PolarHBondContact OG1-OG 2.99Å; S721-K723 VanDerWaalsContact C-N 3.28Å
722	D	88.7	Confident	92.5	Very high	33 Å²	33	20.6 Å²	20.6	18%	0.176	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	1.9	171	87.6	-40.9	0	0	0	113.1	K107 A699 S720 N724 Y726	K107-D722 VanDerWaalsContact CD-O 3.23Å; K107-D722 WeakPolarHBondContact CD-O 2.9Å; K107-D722 WeakPolarHBondContact CE-O 3.38Å; K107-D722 PolarHBondContact NZ-O 3.48Å; K107-D722 IonicContact NZ-OD2 3.37Å; K107-D722 PolarHBondContact NZ-OD2 3.5Å; A699-D722 HydrophobicContact CB-CB 3.86Å; S720-D722 WeakPolarHBondContact CB-OD1 3.31Å; S720-D722 PolarHBondContact O-N 2.86Å; D722-N724 VanDerWaalsContact C-N 3.34Å; D722-N724 WeakPolarHBondContact OD1-CB 3.47Å; D722-N724 PolarHBondContact OD1-N 2.77Å; D722-N724 PolarHBondContact OD2-ND2 2.86Å; D722-Y726 PolarHBondContact OD2-OH 3.09Å
723	K	90.8	Very high	92.6	Very high	42 Å²	42	21.9 Å²	21.9	18%	0.183	12%	0.116	C	C	.	.	S	Bend	trans	73.9	8.5	-176.4	-44.1	176.3	-178.1	-177.3	0	115.9	K107 S720 S721 G743 E744 L745	K107-K723 HydrophobicContact CB-CD 4.4Å; K107-K723 HydrophobicContact CD-CB 4.46Å; K107-K723 PolarHBondContact O-NZ 3.33Å; S720-K723 PolarHBondContact O-N 2.95Å; S721-K723 VanDerWaalsContact C-N 3.28Å; K723-G743 WeakPolarHBondContact CE-O 3.47Å; K723-G743 PolarHBondContact NZ-O 2.86Å; K723-E744 WeakPolarHBondContact CB-O 3.36Å; K723-E744 VanDerWaalsContact CE-OE2 3.25Å; K723-E744 WeakPolarHBondContact CE-OE2 3.31Å; K723-E744 WeakPolarHBondContact CG-O 3.43Å; K723-E744 IonicContact NZ-OE2 3.47Å; K723-E744 PolarHBondContact NZ-OE2 3.43Å; K723-L745 HydrophobicContact CG-CD2 4.42Å
724	N	92.5	Very high	92.6	Very high	12 Å²	12	24.3 Å²	24.3	6%	0.064	13%	0.128	C	C	.	.			trans	-88.3	159.8	169.3	-73.7	-21.9	0	0	0	111.9	K107 S720 D722 Y726 V738 L739	K107-N724 VanDerWaalsContact CE-OD1 3.31Å; K107-N724 WeakPolarHBondContact CE-OD1 2.98Å; K107-N724 PolarHBondContact NZ-ND2 2.64Å; K107-N724 PolarHBondContact NZ-OD1 3.35Å; S720-N724 PolarHBondContact N-O 3.24Å; D722-N724 VanDerWaalsContact C-N 3.34Å; D722-N724 WeakPolarHBondContact OD1-CB 3.47Å; D722-N724 PolarHBondContact OD1-N 2.77Å; D722-N724 PolarHBondContact OD2-ND2 2.86Å; N724-Y726 HydrophobicContact CB-CD2 4.21Å; N724-Y726 HydrophobicContact CB-CE2 3.62Å; N724-Y726 PolarHBondContact ND2-OH 3.2Å; N724-Y726 VanDerWaalsContact ND2-OH 3.14Å; N724-V738 HydrophobicContact CB-CG1 4.5Å; N724-L739 WeakPolarHBondContact CA-O 3.46Å; N724-L739 WeakPolarHBondContact CB-O 3.39Å; N724-L739 PolarHBondContact OD1-O 3.24Å
725	V	94.7	Very high	92.7	Very high	2 Å²	2	25 Å²	25	1%	0.012	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	138.4	155.4	175.9	0	0	0	0	108.8	A717 T718 L739 V746 I749 T760	A717-V725 HydrophobicContact CB-CG1 4.48Å; T718-V725 CarbonylContact O-C 3.49Å; T718-V725 VanDerWaalsContact O-CA 3.25Å; T718-V725 WeakPolarHBondContact O-CA 3.45Å; V725-L739 HydrophobicContact CB-CB 4.21Å; V725-L739 HydrophobicContact CB-CD1 4.36Å; V725-L739 HydrophobicContact CG1-CD1 4.19Å; V725-L739 PolarHBondContact N-O 3.35Å; V725-L739 PolarHBondContact O-N 3.18Å; V725-V746 HydrophobicContact CG2-CB 4.21Å; V725-V746 HydrophobicContact CG2-CG1 3.8Å; V725-V746 HydrophobicContact CG2-CG2 4.1Å; V725-I749 HydrophobicContact CB-CD1 4.49Å; V725-I749 HydrophobicContact CG1-CD1 3.76Å; V725-I749 HydrophobicContact CG2-CD1 3.93Å; V725-I749 HydrophobicContact CG2-CG1 4.35Å; V725-T760 HydrophobicContact CG2-CG2 4.06Å
726	Y	95.1	Very high	92.6	Very high	8 Å²	8	25.4 Å²	25.4	3%	0.031	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	139.5	177.3	-65.1	-86.1	0	0	0	109.4	S697 L698 A717 T718 D722 N724 F728 V738	S697-Y726 VanDerWaalsContact OG-CE2 3.3Å; S697-Y726 WeakPolarHBondContact OG-CE2 3.5Å; L698-Y726 HydrophobicContact CB-CD1 4.33Å; L698-Y726 HydrophobicContact CB-CE1 3.57Å; L698-Y726 HydrophobicContact CD1-CD1 4.14Å; L698-Y726 HydrophobicContact CD1-CE1 3.88Å; L698-Y726 HydrophobicContact CG-CD1 3.85Å; L698-Y726 HydrophobicContact CG-CE1 3.58Å; A717-Y726 CarbonylContact C-O 3.51Å; A717-Y726 VanDerWaalsContact CA-O 3.32Å; A717-Y726 WeakPolarHBondContact CA-O 3.27Å; T718-Y726 PolarHBondContact N-O 3.3Å; T718-Y726 PolarHBondContact O-N 3.07Å; D722-Y726 PolarHBondContact OD2-OH 3.09Å; N724-Y726 HydrophobicContact CB-CD2 4.21Å; N724-Y726 HydrophobicContact CB-CE2 3.62Å; N724-Y726 PolarHBondContact ND2-OH 3.2Å; N724-Y726 VanDerWaalsContact ND2-OH 3.14Å; Y726-F728 HydrophobicContact CD1-CZ 4.48Å; Y726-F728 HydrophobicContact CG-CE2 4.21Å; Y726-F728 HydrophobicContact CG-CZ 4.21Å; Y726-V738 HydrophobicContact CD1-CB 4.3Å; Y726-V738 HydrophobicContact CD1-CG1 3.78Å; Y726-V738 HydrophobicContact CD1-CG2 3.9Å; Y726-V738 HydrophobicContact CE1-CB 4.32Å; Y726-V738 HydrophobicContact CE1-CG1 3.46Å; Y726-V738 VanDerWaalsContact CE1-CG1 3.46Å; Y726-V738 HydrophobicContact CE1-CG2 3.98Å
727	V	95.1	Very high	92.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130	170.3	-171.7	0	0	0	0	108.6	F715 I716 A717 C735 V736 A737 L739 L758	F715-V727 HydrophobicContact CB-CG1 4.05Å; I716-V727 WeakPolarHBondContact O-CA 3.5Å; A717-V727 HydrophobicContact CB-CG2 4.49Å; V727-C735 CarbonylContact O-C 3.6Å; V727-C735 WeakPolarHBondContact O-CA 3.26Å; V727-V736 HydrophobicContact CB-CG2 4.05Å; V727-V736 HydrophobicContact CG1-CG2 3.79Å; V727-V736 PolarHBondContact O-N 3.49Å; V727-A737 HydrophobicContact CB-CB 4.17Å; V727-A737 HydrophobicContact CG2-CB 4.27Å; V727-A737 PolarHBondContact N-O 3.19Å; V727-A737 PolarHBondContact O-N 3.15Å; V727-L739 HydrophobicContact CG2-CD1 4.45Å; V727-L758 HydrophobicContact CG2-CD2 4.43Å
728	F	94.1	Very high	92.2	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.009	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	145	178.1	-60.5	-93.4	0	0	0	111.4	I694 K695 L698 F715 I716 T718 Y726 N734 C735	I694-F728 HydrophobicContact CG2-CB 4.34Å; I694-F728 HydrophobicContact CG2-CD1 4.2Å; I694-F728 HydrophobicContact CG2-CG 4.2Å; K695-F728 WeakPolarHBondContact O-CE1 3.43Å; K695-F728 WeakPolarHBondContact O-CE2 3.42Å; K695-F728 WeakPolarHBondContact O-CZ 3.33Å; L698-F728 HydrophobicContact CD2-CE1 4.41Å; F715-F728 CarbonylContact C-O 3.56Å; F715-F728 WeakPolarHBondContact CA-O 3.49Å; I716-F728 HydrophobicContact CG2-CB 3.89Å; I716-F728 PolarHBondContact N-O 3.01Å; I716-F728 PolarHBondContact O-N 2.97Å; T718-F728 HydrophobicContact CG2-CD2 4.42Å; T718-F728 HydrophobicContact CG2-CE2 4.49Å; Y726-F728 HydrophobicContact CD1-CZ 4.48Å; Y726-F728 HydrophobicContact CG-CE2 4.21Å; Y726-F728 HydrophobicContact CG-CZ 4.21Å; F728-N734 CarbonylContact C-O 3.52Å; F728-N734 VanDerWaalsContact CA-O 3.25Å; F728-N734 WeakPolarHBondContact CA-O 3.34Å; F728-C735 VanDerWaalsContact CD1-CA 3.48Å; F728-C735 HydrophobicContact CD1-CB 3.78Å; F728-C735 HydrophobicContact CE1-CB 3.52Å; F728-C735 HydrophobicContact CZ-CB 4.26Å
729	D	92.4	Very high	92	Very high	23 Å²	23	26.8 Å²	26.8	12%	0.123	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	122.9	163.8	176.2	-30.9	0	0	0	109.1	F715 Y731 N732 G733 N734 V736	F715-D729 HydrophobicContact CD1-CB 4.22Å; F715-D729 HydrophobicContact CE1-CB 4.12Å; D729-Y731 VanDerWaalsContact C-N 3.31Å; D729-Y731 PolarHBondContact O-N 2.86Å; D729-Y731 WeakPolarHBondContact OD1-CB 3.3Å; D729-Y731 PolarHBondContact OD1-N 2.68Å; D729-N732 WeakPolarHBondContact CB-OD1 3.35Å; D729-N732 PolarHBondContact OD1-N 2.71Å; D729-N732 PolarHBondContact OD2-ND2 3.4Å; D729-G733 VanDerWaalsContact O-CA 3.31Å; D729-G733 WeakPolarHBondContact O-CA 3.37Å; D729-G733 PolarHBondContact O-N 2.94Å; D729-N734 PolarHBondContact N-O 3.11Å; D729-V736 HydrophobicContact CB-CG1 4.04Å
730	V	92.1	Very high	91.7	Very high	21 Å²	21	27.3 Å²	27.3	13%	0.127	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-33.8	-174.5	169.3	0	0	0	0	112.4	Y672 L709 S714 I716	Y672-V730 HydrophobicContact CE1-CG1 4.03Å; Y672-V730 WeakPolarHBondContact OH-CG1 3.37Å; L709-V730 HydrophobicContact CD2-CG2 4.08Å; S714-V730 WeakPolarHBondContact O-CB 3.33Å; S714-V730 PolarHBondContact O-N 3.31Å; I716-V730 HydrophobicContact CB-CG2 4Å; I716-V730 HydrophobicContact CG2-CG2 4.07Å
731	Y	87.9	Confident	91.5	Very high	146 Å²	146	27.5 Å²	27.5	57%	0.573	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-28.4	-171.4	-65.4	-88	0	0	0	113.3	D729	D729-Y731 VanDerWaalsContact C-N 3.31Å; D729-Y731 PolarHBondContact O-N 2.86Å; D729-Y731 WeakPolarHBondContact OD1-CB 3.3Å; D729-Y731 PolarHBondContact OD1-N 2.68Å
732	N	88	Confident	91.5	Very high	89 Å²	89	25.5 Å²	25.5	48%	0.476	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124	-6	-176.1	63	51.6	0	0	0	114.3	D729 N734	D729-N732 WeakPolarHBondContact CB-OD1 3.35Å; D729-N732 PolarHBondContact OD1-N 2.71Å; D729-N732 PolarHBondContact OD2-ND2 3.4Å; N732-N734 VanDerWaalsContact CG-ND2 3.29Å; N732-N734 PolarHBondContact O-N 3.12Å; N732-N734 VanDerWaalsContact OD1-CB 3.28Å; N732-N734 WeakPolarHBondContact OD1-CB 3.32Å; N732-N734 PolarHBondContact OD1-N 2.69Å; N732-N734 PolarHBondContact OD1-ND2 3.32Å
733	G	88.5	Confident	91.5	Very high	28 Å²	28	24.2 Å²	24.2	29%	0.289	13%	0.132	S	C	.	.			trans	66.6	14.5	176.5	0	0	0	0	0	114.8	D729	D729-G733 VanDerWaalsContact O-CA 3.31Å; D729-G733 WeakPolarHBondContact O-CA 3.37Å; D729-G733 PolarHBondContact O-N 2.94Å
734	N	90.8	Very high	91.4	Very high	54 Å²	54	23.2 Å²	23.2	29%	0.289	13%	0.127	S	C	.	.			trans	-77.9	138.3	173.1	-69.3	-75.2	0	0	0	110.3	R51 F728 D729 N732 V736	R51-N734 PolarHBondContact NE-OD1 2.93Å; R51-N734 PolarHBondContact NH2-OD1 2.98Å; F728-N734 CarbonylContact C-O 3.52Å; F728-N734 VanDerWaalsContact CA-O 3.25Å; F728-N734 WeakPolarHBondContact CA-O 3.34Å; D729-N734 PolarHBondContact N-O 3.11Å; N732-N734 VanDerWaalsContact CG-ND2 3.29Å; N732-N734 PolarHBondContact O-N 3.12Å; N732-N734 VanDerWaalsContact OD1-CB 3.28Å; N732-N734 WeakPolarHBondContact OD1-CB 3.32Å; N732-N734 PolarHBondContact OD1-N 2.69Å; N732-N734 PolarHBondContact OD1-ND2 3.32Å; N734-V736 PolarHBondContact O-N 3.46Å
735	C	91.7	Very high	91.4	Very high	15 Å²	15	23.3 Å²	23.3	10%	0.101	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	128	165	-174.6	0	0	0	0	108.9	L698 V727 F728 A737	L698-C735 HydrophobicContact CD1-CB 4.01Å; L698-C735 HydrophobicContact CD2-CB 4.23Å; L698-C735 HydrophobicContact CG-CB 4.39Å; V727-C735 CarbonylContact O-C 3.6Å; V727-C735 WeakPolarHBondContact O-CA 3.26Å; F728-C735 VanDerWaalsContact CD1-CA 3.48Å; F728-C735 HydrophobicContact CD1-CB 3.78Å; F728-C735 HydrophobicContact CE1-CB 3.52Å; F728-C735 HydrophobicContact CZ-CB 4.26Å; C735-A737 PolarHBondContact SG-O 2.93Å
736	V	92.4	Very high	91.4	Very high	13 Å²	13	23.2 Å²	23.2	8%	0.079	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-22	-179.2	-59	0	0	0	0	112.8	F53 Y54 F715 V727 D729 N734	F53-V736 CarbonylContact C-O 3.58Å; F53-V736 VanDerWaalsContact CA-O 3.31Å; F53-V736 WeakPolarHBondContact CA-O 3.44Å; Y54-V736 HydrophobicContact CD2-CB 3.8Å; Y54-V736 HydrophobicContact CD2-CG2 4.09Å; Y54-V736 HydrophobicContact CE2-CB 4.13Å; Y54-V736 HydrophobicContact CE2-CG1 4.4Å; Y54-V736 PolarHBondContact N-O 3.12Å; F715-V736 HydrophobicContact CD1-CG2 4.09Å; F715-V736 HydrophobicContact CE1-CG2 4.32Å; V727-V736 HydrophobicContact CB-CG2 4.05Å; V727-V736 HydrophobicContact CG1-CG2 3.79Å; V727-V736 PolarHBondContact O-N 3.49Å; D729-V736 HydrophobicContact CB-CG1 4.04Å; N734-V736 PolarHBondContact O-N 3.46Å
737	A	92	Very high	91.4	Very high	4 Å²	4	23.4 Å²	23.4	3%	0.033	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	149.3	170.8	0	0	0	0	0	111.4	V56 V727 C735 L739	V56-A737 HydrophobicContact CB-CB 4.33Å; V56-A737 HydrophobicContact CG2-CB 3.73Å; V727-A737 HydrophobicContact CB-CB 4.17Å; V727-A737 HydrophobicContact CG2-CB 4.27Å; V727-A737 PolarHBondContact N-O 3.19Å; V727-A737 PolarHBondContact O-N 3.15Å; C735-A737 PolarHBondContact SG-O 2.93Å; A737-L739 HydrophobicContact CB-CD2 4.22Å
738	V	92.6	Very high	91.4	Very high	21 Å²	21	23.6 Å²	23.6	13%	0.127	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	121.6	171.9	-170	0	0	0	0	108.2	L40 F53 L698 N724 Y726	L40-V738 HydrophobicContact CB-CB 4.44Å; L40-V738 HydrophobicContact CD1-CB 4.28Å; L40-V738 HydrophobicContact CD1-CG1 3.99Å; F53-V738 HydrophobicContact CE1-CG2 4.46Å; L698-V738 HydrophobicContact CD1-CG2 3.99Å; N724-V738 HydrophobicContact CB-CG1 4.5Å; Y726-V738 HydrophobicContact CD1-CB 4.3Å; Y726-V738 HydrophobicContact CD1-CG1 3.78Å; Y726-V738 HydrophobicContact CD1-CG2 3.9Å; Y726-V738 HydrophobicContact CE1-CB 4.32Å; Y726-V738 HydrophobicContact CE1-CG1 3.46Å; Y726-V738 VanDerWaalsContact CE1-CG1 3.46Å; Y726-V738 HydrophobicContact CE1-CG2 3.98Å
739	L	93.6	Very high	91.6	Very high	5 Å²	5	23.9 Å²	23.9	3%	0.026	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	135.8	-176	-39.5	178.7	0	0	0	108.4	V56 N724 V725 V727 A737 L758 W770	V56-L739 HydrophobicContact CB-CD2 3.64Å; V56-L739 HydrophobicContact CG1-CD1 4.25Å; V56-L739 HydrophobicContact CG1-CD2 3.48Å; V56-L739 VanDerWaalsContact CG1-CD2 3.48Å; V56-L739 HydrophobicContact CG2-CD2 4.4Å; N724-L739 WeakPolarHBondContact CA-O 3.46Å; N724-L739 WeakPolarHBondContact CB-O 3.39Å; N724-L739 PolarHBondContact OD1-O 3.24Å; V725-L739 HydrophobicContact CB-CB 4.21Å; V725-L739 HydrophobicContact CB-CD1 4.36Å; V725-L739 HydrophobicContact CG1-CD1 4.19Å; V725-L739 PolarHBondContact N-O 3.35Å; V725-L739 PolarHBondContact O-N 3.18Å; V727-L739 HydrophobicContact CG2-CD1 4.45Å; A737-L739 HydrophobicContact CB-CD2 4.22Å; L739-L758 HydrophobicContact CD1-CD2 3.62Å; L739-W770 HydrophobicContact CB-CD2 4.19Å; L739-W770 HydrophobicContact CB-CE3 4.15Å; L739-W770 HydrophobicContact CB-CH2 3.86Å; L739-W770 HydrophobicContact CB-CZ2 3.86Å; L739-W770 HydrophobicContact CB-CZ3 3.98Å; L739-W770 HydrophobicContact CD1-CD2 3.95Å; L739-W770 HydrophobicContact CD1-CE3 4.35Å; L739-W770 HydrophobicContact CD1-CG 4.01Å; L739-W770 HydrophobicContact CD2-CE3 4.09Å; L739-W770 HydrophobicContact CD2-CZ3 4.38Å; L739-W770 HydrophobicContact CG-CD2 4.44Å; L739-W770 HydrophobicContact CG-CE3 4.42Å
740	G	89.4	Confident	91.8	Very high	11 Å²	11	24 Å²	24	11%	0.113	13%	0.132	C	C	.	.			trans	-158.8	150.6	-178.5	0	0	0	0	0	111.1	V103	V103-G740 WeakPolarHBondContact CG1-O 3.49Å
741	G	88.9	Confident	91.8	Very high	4 Å²	4	23.3 Å²	23.3	4%	0.041	13%	0.128	C	C	.	.			trans	150.6	-17.7	-176.5	0	0	0	0	0	113.9	C87 T88 G743	C87-G741 PolarHBondContact SG-O 3.37Å; T88-G741 PolarHBondContact N-O 3.39Å; T88-G741 VanDerWaalsContact OG1-C 3.32Å; T88-G741 VanDerWaalsContact OG1-CA 3.28Å; T88-G741 WeakPolarHBondContact OG1-CA 3.26Å; T88-G741 PolarHBondContact OG1-O 3.47Å; G741-G743 PolarHBondContact O-N 2.75Å
742	H	90.9	Very high	92	Very high	3 Å²	3	16.4 Å²	16.4	1%	0.014	10%	0.101	C	C	.	.			trans	-60.9	127.6	165.6	-72.9	-70.1	0	0	0	110.8	C87 E744 V746 T760 S762 F768	C87-H742 PolarHBondContact SG-O 3.19Å; C87-H742 VanDerWaalsContact SG-O 3.42Å; H742-E744 VanDerWaalsContact C-N 3.3Å; H742-V746 HydrophobicContact CB-CG2 3.9Å; H742-V746 WeakPolarHBondContact CD2-CG2 3.49Å; H742-T760 PolarHBondContact NE2-OG1 3.16Å; H742-S762 WeakPolarHBondContact ND1-CB 3.48Å; H742-F768 AromaticContact CE1-CD1 3.32Å; H742-F768 WeakPolarHBondContact CE1-CD1 3.38Å; H742-F768 AromaticContact CE1-CE1 3.91Å; H742-F768 AromaticContact CE1-CG 3.48Å; H742-F768 VanDerWaalsContact CE1-CG 3.48Å; H742-F768 WeakPolarHBondContact CE1-CG 3.27Å; H742-F768 AromaticContact ND1-CD1 3.73Å; H742-F768 AromaticContact ND1-CE1 3.84Å; H742-F768 AromaticContact NE2-CD1 3.96Å; H742-F768 AromaticContact NE2-CG 3.63Å
743	G	87.9	Confident	91.6	Very high	5 Å²	5	16.8 Å²	16.8	5%	0.052	10%	0.096	C	C	.	.	S	Bend	trans	-76.7	-12.2	176	0	0	0	0	0	113.6	K723 G741 D764	K723-G743 WeakPolarHBondContact CE-O 3.47Å; K723-G743 PolarHBondContact NZ-O 2.86Å; G741-G743 PolarHBondContact O-N 2.75Å; G743-D764 WeakPolarHBondContact CA-OD2 3.32Å; G743-D764 PolarHBondContact N-OD2 2.93Å
744	E	89.5	Confident	91.3	Very high	21 Å²	21	16.8 Å²	16.8	10%	0.098	9%	0.089	C	C	.	.	S	Bend	trans	-137.1	-169	170.8	-76.7	-67.4	-153.7	0	0	113.8	K723 H742 V746 D764 R1010 S1012	K723-E744 WeakPolarHBondContact CB-O 3.36Å; K723-E744 VanDerWaalsContact CE-OE2 3.25Å; K723-E744 WeakPolarHBondContact CE-OE2 3.31Å; K723-E744 WeakPolarHBondContact CG-O 3.43Å; K723-E744 IonicContact NZ-OE2 3.47Å; K723-E744 PolarHBondContact NZ-OE2 3.43Å; H742-E744 VanDerWaalsContact C-N 3.3Å; E744-V746 PolarHBondContact O-N 2.87Å; E744-D764 HydrophobicContact CB-CB 3.99Å; E744-D764 HydrophobicContact CG-CB 4.18Å; E744-D764 PolarHBondContact N-OD2 2.64Å; E744-R1010 VanDerWaalsContact OE1-O 3.07Å; E744-S1012 WeakPolarHBondContact OE1-CA 3.42Å; E744-S1012 WeakPolarHBondContact OE1-CB 3.2Å; E744-S1012 PolarHBondContact OE1-N 2.93Å
745	L	91.4	Very high	91	Very high	15 Å²	15	14.8 Å²	14.8	8%	0.079	8%	0.08	C	C	.	.			trans	-66.3	127.7	-178.8	-63.6	179.7	0	0	0	111.7	I705 K723 T747 S762 G763 L1018	I705-L745 HydrophobicContact CD1-CD1 4.38Å; I705-L745 HydrophobicContact CD1-CD2 4.08Å; K723-L745 HydrophobicContact CG-CD2 4.42Å; L745-T747 PolarHBondContact O-N 2.94Å; L745-S762 WeakPolarHBondContact O-CA 3.35Å; L745-G763 PolarHBondContact O-N 3.03Å; L745-L1018 HydrophobicContact CD1-CD1 3.83Å
746	V	95.6	Very high	90.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	110.9	173.3	-179.5	0	0	0	0	109.9	S719 V725 H742 E744 G748 I749 V761	S719-V746 WeakPolarHBondContact CB-O 3.39Å; S719-V746 PolarHBondContact OG-O 3.38Å; V725-V746 HydrophobicContact CG2-CB 4.21Å; V725-V746 HydrophobicContact CG2-CG1 3.8Å; V725-V746 HydrophobicContact CG2-CG2 4.1Å; H742-V746 HydrophobicContact CB-CG2 3.9Å; H742-V746 WeakPolarHBondContact CD2-CG2 3.49Å; E744-V746 PolarHBondContact O-N 2.87Å; V746-G748 WeakPolarHBondContact CG1-O 3.21Å; V746-I749 HydrophobicContact CG1-CG1 4.09Å; V746-V761 CarbonylContact C-O 3.58Å; V746-V761 WeakPolarHBondContact CA-O 3.11Å; V746-V761 WeakPolarHBondContact CG1-O 3.31Å
747	T	95.2	Very high	90.9	Very high	12 Å²	12	17.8 Å²	17.8	7%	0.074	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-25.1	-172	45.2	0	0	0	0	113.3	I421 W422 K706 L745 V761 T1014	I421-T747 WeakPolarHBondContact O-CB 3.46Å; I421-T747 PolarHBondContact O-OG1 2.96Å; W422-T747 HydrophobicContact CE3-CG2 4.26Å; K706-T747 VanDerWaalsContact CE-O 3.28Å; K706-T747 WeakPolarHBondContact CE-O 3.39Å; K706-T747 VanDerWaalsContact CG-O 3.31Å; K706-T747 WeakPolarHBondContact CG-O 3.33Å; L745-T747 PolarHBondContact O-N 2.94Å; T747-V761 PolarHBondContact N-O 3.18Å; T747-V761 PolarHBondContact OG1-O 3.28Å; T747-T1014 HydrophobicContact CG2-CG2 3.94Å
748	G	95.5	Very high	91.1	Very high	4 Å²	4	17.6 Å²	17.6	4%	0.041	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	151.9	179.7	0	0	0	0	0	113.2	V746 V761	V746-G748 WeakPolarHBondContact CG1-O 3.21Å; G748-V761 PolarHBondContact N-O 2.9Å; G748-V761 PolarHBondContact O-N 3.42Å
749	I	97.3	Very high	91.3	Very high	7 Å²	7	16.6 Å²	16.6	4%	0.036	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	136.2	179.6	-59	176.6	0	0	0	107.5	K706 E708 A717 S719 V725 V746 L758 V759 T760	K706-I749 HydrophobicContact CB-CD1 4.47Å; E708-I749 HydrophobicContact CB-CB 4.25Å; E708-I749 HydrophobicContact CB-CG2 4.06Å; E708-I749 HydrophobicContact CG-CG2 4.33Å; A717-I749 HydrophobicContact CB-CG2 3.9Å; S719-I749 VanDerWaalsContact N-CD1 3.32Å; V725-I749 HydrophobicContact CB-CD1 4.49Å; V725-I749 HydrophobicContact CG1-CD1 3.76Å; V725-I749 HydrophobicContact CG2-CD1 3.93Å; V725-I749 HydrophobicContact CG2-CG1 4.35Å; V746-I749 HydrophobicContact CG1-CG1 4.09Å; I749-L758 HydrophobicContact CG2-CD1 3.5Å; I749-L758 VanDerWaalsContact CG2-CD1 3.5Å; I749-L758 HydrophobicContact CG2-CG 4.34Å; I749-V759 WeakPolarHBondContact CA-O 3.49Å; I749-T760 HydrophobicContact CG1-CG2 4.33Å; I749-T760 HydrophobicContact CG2-CG2 4.43Å
750	K	96.1	Very high	91.5	Very high	25 Å²	25	16.3 Å²	16.3	11%	0.109	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	130.4	170.8	-80.8	-73	139.2	-160.6	0	110.8	V424 D425 T426 E708 V759	V424-K750 HydrophobicContact CB-CG 4.5Å; V424-K750 HydrophobicContact CG1-CB 4.35Å; V424-K750 HydrophobicContact CG1-CG 3.95Å; V424-K750 HydrophobicContact CG2-CB 4.43Å; V424-K750 HydrophobicContact CG2-CG 4.23Å; V424-K750 VanDerWaalsContact O-CG 3.31Å; V424-K750 WeakPolarHBondContact O-CG 3.14Å; D425-K750 IonicContact OD1-NZ 3.96Å; T426-K750 HydrophobicContact CG2-CB 3.96Å; T426-K750 HydrophobicContact CG2-CD 4.17Å; T426-K750 HydrophobicContact CG2-CG 4.19Å; E708-K750 WeakPolarHBondContact OE1-CD 3.47Å; E708-K750 WeakPolarHBondContact OE1-CE 3.47Å; E708-K750 IonicContact OE1-NZ 3.49Å; E708-K750 PolarHBondContact OE1-NZ 3.45Å; E708-K750 WeakPolarHBondContact OE2-CE 3.17Å; E708-K750 IonicContact OE2-NZ 2.75Å; E708-K750 PolarHBondContact OE2-NZ 2.84Å; K750-V759 PolarHBondContact N-O 3.15Å; K750-V759 PolarHBondContact O-N 3.16Å
751	F	93.5	Very high	91.9	Very high	8 Å²	8	15.8 Å²	15.8	4%	0.035	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	138.4	161.2	-75.3	-83.2	0	0	0	109.1	E708 D710 A717 L758 L772	E708-F751 HydrophobicContact CG-CD2 4.03Å; D710-F751 HydrophobicContact CB-CD1 4.26Å; D710-F751 HydrophobicContact CB-CD2 3.93Å; D710-F751 HydrophobicContact CB-CE1 4.24Å; D710-F751 HydrophobicContact CB-CE2 3.91Å; D710-F751 HydrophobicContact CB-CG 4.11Å; D710-F751 HydrophobicContact CB-CZ 4.07Å; A717-F751 HydrophobicContact CB-CE2 3.69Å; A717-F751 HydrophobicContact CB-CZ 3.93Å; F751-L758 HydrophobicContact CD1-CB 4.28Å; F751-L758 HydrophobicContact CD1-CD1 3.78Å; F751-L758 HydrophobicContact CD2-CD1 3.94Å; F751-L758 HydrophobicContact CE1-CB 4.36Å; F751-L758 HydrophobicContact CE1-CD1 3.84Å; F751-L758 HydrophobicContact CE1-CG 4.49Å; F751-L758 HydrophobicContact CE2-CD1 4.01Å; F751-L758 HydrophobicContact CG-CD1 3.83Å; F751-L758 HydrophobicContact CZ-CD1 3.96Å; F751-L772 HydrophobicContact CD1-CD1 3.98Å; F751-L772 HydrophobicContact CE1-CD1 3.99Å; F751-L772 HydrophobicContact CE1-CD2 4.32Å
752	L	90.8	Very high	92.2	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	7%	0.072	C	C	.	.			trans	-83.4	150.2	172.5	-59.4	-167.1	0	0	0	110.8	T426 F446 V460 D754 C755 H757 V759	T426-L752 HydrophobicContact CG2-CD2 3.63Å; F446-L752 HydrophobicContact CB-CD2 4.21Å; F446-L752 HydrophobicContact CD1-CD1 4.43Å; F446-L752 HydrophobicContact CD1-CD2 4.35Å; V460-L752 HydrophobicContact CG2-CD1 3.69Å; L752-D754 WeakPolarHBondContact CB-OD2 3.19Å; L752-D754 PolarHBondContact O-N 2.84Å; L752-C755 PolarHBondContact O-N 2.61Å; L752-C755 VanDerWaalsContact O-N 3.08Å; L752-H757 HydrophobicContact CB-CB 4.43Å; L752-H757 HydrophobicContact CD1-CB 4Å; L752-H757 HydrophobicContact CG-CB 4.21Å; L752-H757 PolarHBondContact N-O 2.76Å; L752-V759 HydrophobicContact CD1-CG2 3.97Å; L752-V759 HydrophobicContact CD2-CG2 3.81Å; L752-V759 HydrophobicContact CG-CG2 3.9Å
753	Y	80.9	Confident	92.2	Very high	96 Å²	96	15.9 Å²	15.9	38%	0.376	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-12.2	-178.4	-76.9	-75.4	0	0	0	113.7	T426 F428 P711 C755	T426-Y753 WeakPolarHBondContact OG1-CE2 3.39Å; F428-Y753 HydrophobicContact CB-CD2 3.43Å; F428-Y753 VanDerWaalsContact CB-CD2 3.43Å; F428-Y753 HydrophobicContact CB-CE2 3.86Å; F428-Y753 HydrophobicContact CB-CG 3.97Å; F428-Y753 HydrophobicContact CD1-CG 4.32Å; F428-Y753 HydrophobicContact CG-CD2 4.14Å; F428-Y753 HydrophobicContact CG-CG 4.18Å; P711-Y753 HydrophobicContact CB-CD1 4.48Å; P711-Y753 HydrophobicContact CB-CE1 4.36Å; P711-Y753 HydrophobicContact CG-CD1 4.21Å; P711-Y753 HydrophobicContact CG-CE1 4.26Å; Y753-C755 PolarHBondContact O-N 3.14Å; Y753-C755 VanDerWaalsContact O-N 3.17Å; Y753-C755 PolarHBondContact O-SG 3.43Å
754	D	81	Confident	92.2	Very high	28 Å²	28	16 Å²	16	15%	0.15	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-15.1	166.4	60.4	37.2	0	0	0	114	L752 R756 H757	L752-D754 WeakPolarHBondContact CB-OD2 3.19Å; L752-D754 PolarHBondContact O-N 2.84Å; D754-R756 HydrophobicContact CB-CB 4.47Å; D754-R756 PolarHBondContact O-N 3.37Å; D754-R756 VanDerWaalsContact O-N 3.15Å; D754-R756 WeakPolarHBondContact OD1-CA 3.32Å; D754-R756 PolarHBondContact OD1-N 3.44Å; D754-H757 PolarHBondContact OD1-N 3.14Å; D754-H757 IonicContact OD1-ND1 3.11Å; D754-H757 IonicContact OD2-CE1 3.02Å; D754-H757 IonicContact OD2-CG 2.68Å; D754-H757 IonicContact OD2-ND1 3.99Å; D754-H757 PolarHBondContact OD2-ND1 2.87Å
755	C	85.8	Confident	92.4	Very high	13 Å²	13	15 Å²	15	9%	0.088	7%	0.071	C	C	.	.	S	Bend	trans	57.4	19.7	-175.8	-56.6	0	0	0	0	114.1	L752 Y753 S777 I780 M781 L784	L752-C755 PolarHBondContact O-N 2.61Å; L752-C755 VanDerWaalsContact O-N 3.08Å; Y753-C755 PolarHBondContact O-N 3.14Å; Y753-C755 VanDerWaalsContact O-N 3.17Å; Y753-C755 PolarHBondContact O-SG 3.43Å; C755-S777 WeakPolarHBondContact O-CA 3.34Å; C755-S777 WeakPolarHBondContact O-CB 3.48Å; C755-S777 PolarHBondContact O-OG 3.01Å; C755-I780 HydrophobicContact CB-CG2 3.9Å; C755-M781 HydrophobicContact CB-CG 3.75Å; C755-M781 HydrophobicContact CB-SD 4.47Å; C755-L784 VanDerWaalsContact SG-CD1 3.52Å
756	R	88.2	Confident	92.6	Very high	76 Å²	76	14.3 Å²	14.3	29%	0.287	7%	0.067	S	C	.	.	S	Bend	trans	-115.1	-29.2	-179.8	-68.4	174	177.1	-174.8	0.8	112.5	D754 L772 H807 F808	D754-R756 HydrophobicContact CB-CB 4.47Å; D754-R756 PolarHBondContact O-N 3.37Å; D754-R756 VanDerWaalsContact O-N 3.15Å; D754-R756 WeakPolarHBondContact OD1-CA 3.32Å; D754-R756 PolarHBondContact OD1-N 3.44Å; R756-L772 VanDerWaalsContact O-CB 3.25Å; R756-L772 WeakPolarHBondContact O-CB 3.48Å; R756-L772 VanDerWaalsContact O-CG 3.31Å; R756-L772 WeakPolarHBondContact O-CG 3.36Å; R756-L772 PolarHBondContact O-N 3.43Å; R756-H807 PolarHBondContact NH2-O 2.65Å; R756-F808 VanDerWaalsContact NH2-CZ 3.35Å
757	H	92.9	Very high	92.7	Very high	14 Å²	14	14.4 Å²	14.4	7%	0.065	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	151.7	-174.4	-47.4	109.3	0	0	0	114.1	E59 L752 D754 V769 W770	E59-H757 IonicContact OE2-CD2 2.93Å; E59-H757 PolarHBondContact OE2-CD2 2.72Å; E59-H757 IonicContact OE2-NE2 2.71Å; E59-H757 PolarHBondContact OE2-NE2 3.15Å; L752-H757 HydrophobicContact CB-CB 4.43Å; L752-H757 HydrophobicContact CD1-CB 4Å; L752-H757 HydrophobicContact CG-CB 4.21Å; L752-H757 PolarHBondContact N-O 2.76Å; D754-H757 PolarHBondContact OD1-N 3.14Å; D754-H757 IonicContact OD1-ND1 3.11Å; D754-H757 IonicContact OD2-CE1 3.02Å; D754-H757 IonicContact OD2-CG 2.68Å; D754-H757 IonicContact OD2-ND1 3.99Å; D754-H757 PolarHBondContact OD2-ND1 2.87Å; H757-V769 HydrophobicContact CB-CG1 4.23Å; H757-W770 VanDerWaalsContact CA-O 3.31Å; H757-W770 WeakPolarHBondContact CA-O 3.38Å
758	L	95.4	Very high	92.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	122.8	168.6	175.3	72	0	0	0	108	A717 V727 L739 I749 F751 T760 W770 L772	A717-L758 HydrophobicContact CB-CD1 4.29Å; A717-L758 HydrophobicContact CB-CD2 4.45Å; V727-L758 HydrophobicContact CG2-CD2 4.43Å; L739-L758 HydrophobicContact CD1-CD2 3.62Å; I749-L758 HydrophobicContact CG2-CD1 3.5Å; I749-L758 VanDerWaalsContact CG2-CD1 3.5Å; I749-L758 HydrophobicContact CG2-CG 4.34Å; F751-L758 HydrophobicContact CD1-CB 4.28Å; F751-L758 HydrophobicContact CD1-CD1 3.78Å; F751-L758 HydrophobicContact CD2-CD1 3.94Å; F751-L758 HydrophobicContact CE1-CB 4.36Å; F751-L758 HydrophobicContact CE1-CD1 3.84Å; F751-L758 HydrophobicContact CE1-CG 4.49Å; F751-L758 HydrophobicContact CE2-CD1 4.01Å; F751-L758 HydrophobicContact CG-CD1 3.83Å; F751-L758 HydrophobicContact CZ-CD1 3.96Å; L758-T760 HydrophobicContact CG-CG2 4.29Å; L758-W770 HydrophobicContact CB-CB 4.3Å; L758-W770 PolarHBondContact N-O 2.9Å; L758-W770 PolarHBondContact O-N 2.96Å; L758-L772 HydrophobicContact CB-CD2 4.01Å
759	V	97	Very high	92.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	136.5	176.6	179.6	0	0	0	0	109.4	V424 F446 I749 K750 L752 I767 V769	V424-V759 HydrophobicContact CG2-CG1 4.11Å; F446-V759 HydrophobicContact CD1-CG2 4.12Å; F446-V759 HydrophobicContact CD2-CG1 4.13Å; F446-V759 HydrophobicContact CE1-CG2 4.09Å; F446-V759 HydrophobicContact CE2-CG1 3.91Å; F446-V759 HydrophobicContact CG-CG2 4.45Å; F446-V759 HydrophobicContact CZ-CG1 4.19Å; F446-V759 HydrophobicContact CZ-CG2 4.39Å; I749-V759 WeakPolarHBondContact CA-O 3.49Å; K750-V759 PolarHBondContact N-O 3.15Å; K750-V759 PolarHBondContact O-N 3.16Å; L752-V759 HydrophobicContact CD1-CG2 3.97Å; L752-V759 HydrophobicContact CD2-CG2 3.81Å; L752-V759 HydrophobicContact CG-CG2 3.9Å; V759-I767 HydrophobicContact CG1-CG2 3.69Å; V759-V769 HydrophobicContact CG2-CG2 4.47Å
760	T	97.9	Very high	92.8	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	136	179.4	60	0	0	0	0	110.4	V725 H742 I749 L758 I767 F768 W770	V725-T760 HydrophobicContact CG2-CG2 4.06Å; H742-T760 PolarHBondContact NE2-OG1 3.16Å; I749-T760 HydrophobicContact CG1-CG2 4.33Å; I749-T760 HydrophobicContact CG2-CG2 4.43Å; L758-T760 HydrophobicContact CG-CG2 4.29Å; T760-I767 WeakPolarHBondContact O-CA 3.49Å; T760-F768 PolarHBondContact N-O 2.86Å; T760-F768 PolarHBondContact O-N 3.3Å; T760-F768 WeakPolarHBondContact OG1-CB 3.22Å; T760-F768 PolarHBondContact OG1-O 3.38Å; T760-W770 PolarHBondContact OG1-NE1 2.81Å
761	V	97.7	Very high	92.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	148.4	-176.6	-58	0	0	0	0	111.5	I421 V424 T448 V746 T747 G748 I767	I421-V761 HydrophobicContact CB-CB 4.08Å; I421-V761 HydrophobicContact CB-CG2 4.48Å; I421-V761 HydrophobicContact CD1-CB 4.49Å; I421-V761 HydrophobicContact CG2-CB 3.69Å; I421-V761 HydrophobicContact CG2-CG1 4.09Å; I421-V761 HydrophobicContact CG2-CG2 3.87Å; V424-V761 HydrophobicContact CB-CG1 3.9Å; V424-V761 HydrophobicContact CB-CG2 4.05Å; V424-V761 HydrophobicContact CG1-CG1 4.07Å; V424-V761 HydrophobicContact CG1-CG2 3.76Å; V424-V761 HydrophobicContact CG2-CG1 4.37Å; T448-V761 HydrophobicContact CG2-CG1 3.98Å; V746-V761 CarbonylContact C-O 3.58Å; V746-V761 WeakPolarHBondContact CA-O 3.11Å; V746-V761 WeakPolarHBondContact CG1-O 3.31Å; T747-V761 PolarHBondContact N-O 3.18Å; T747-V761 PolarHBondContact OG1-O 3.28Å; G748-V761 PolarHBondContact N-O 2.9Å; G748-V761 PolarHBondContact O-N 3.42Å; V761-I767 HydrophobicContact CG1-CB 4.38Å; V761-I767 HydrophobicContact CG1-CG1 4.02Å; V761-I767 HydrophobicContact CG1-CG2 4.08Å
762	S	95.6	Very high	92.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	160.2	-165.3	166.5	0	0	0	0	114.1	I421 H742 L745 D764 S765 C766	I421-S762 PolarHBondContact N-O 3.18Å; H742-S762 WeakPolarHBondContact ND1-CB 3.48Å; L745-S762 WeakPolarHBondContact O-CA 3.35Å; S762-D764 WeakPolarHBondContact CB-OD1 3.43Å; S762-D764 PolarHBondContact O-N 3.46Å; S762-D764 VanDerWaalsContact OG-CG 3.29Å; S762-D764 PolarHBondContact OG-N 3.28Å; S762-D764 PolarHBondContact OG-OD1 3.42Å; S762-S765 PolarHBondContact O-N 2.79Å; S762-C766 PolarHBondContact N-O 3.33Å
763	G	90.5	Very high	92.6	Very high	9 Å²	9	18.4 Å²	18.4	9%	0.093	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-11.2	176.3	0	0	0	0	0	115.3	S420 L745 S765	S420-G763 WeakPolarHBondContact CB-O 3.43Å; S420-G763 PolarHBondContact OG-O 2.75Å; L745-G763 PolarHBondContact O-N 3.03Å; G763-S765 VanDerWaalsContact C-N 3.3Å
764	D	88.2	Confident	92.9	Very high	6 Å²	6	19.9 Å²	19.9	3%	0.032	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	26.8	174.4	63.5	-6.9	0	0	0	113.4	T65 G86 G743 E744 S762 C766	T65-D764 HydrophobicContact CG2-CB 4.47Å; T65-D764 VanDerWaalsContact CG2-O 3.29Å; T65-D764 WeakPolarHBondContact CG2-O 3.17Å; G86-D764 WeakPolarHBondContact CA-OD2 3.49Å; G743-D764 WeakPolarHBondContact CA-OD2 3.32Å; G743-D764 PolarHBondContact N-OD2 2.93Å; E744-D764 HydrophobicContact CB-CB 3.99Å; E744-D764 HydrophobicContact CG-CB 4.18Å; E744-D764 PolarHBondContact N-OD2 2.64Å; S762-D764 WeakPolarHBondContact CB-OD1 3.43Å; S762-D764 PolarHBondContact O-N 3.46Å; S762-D764 VanDerWaalsContact OG-CG 3.29Å; S762-D764 PolarHBondContact OG-N 3.28Å; S762-D764 PolarHBondContact OG-OD1 3.42Å; D764-C766 PolarHBondContact O-N 2.83Å; D764-C766 PolarHBondContact O-SG 2.86Å
765	S	93.6	Very high	93.3	Very high	2 Å²	2	22 Å²	22	1%	0.014	11%	0.112	C	C	.	.	S	Bend	trans	63	14.8	175.5	62.1	0	0	0	0	116	H395 H417 G419 S762 G763	H395-S765 PolarHBondContact CE1-OG 3.04Å; H395-S765 PolarHBondContact ND1-OG 2.95Å; H395-S765 VanDerWaalsContact ND1-OG 3.14Å; H417-S765 WeakPolarHBondContact O-CB 3.32Å; G419-S765 WeakPolarHBondContact O-CA 3.38Å; G419-S765 WeakPolarHBondContact O-CB 3.43Å; S762-S765 PolarHBondContact O-N 2.79Å; G763-S765 VanDerWaalsContact C-N 3.3Å
766	C	96.5	Very high	93.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.108	C	C	.	.			trans	-109.4	145.6	-176.4	-61.3	0	0	0	0	113.5	S762 D764 F768	S762-C766 PolarHBondContact N-O 3.33Å; D764-C766 PolarHBondContact O-N 2.83Å; D764-C766 PolarHBondContact O-SG 2.86Å; C766-F768 HydrophobicContact CB-CD1 4.13Å; C766-F768 HydrophobicContact CB-CE1 3.82Å
767	I	97.6	Very high	93.5	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.3	169.3	-50.6	167.9	0	0	0	107.4	I62 I421 F446 T448 W458 V759 T760 V761	I62-I767 HydrophobicContact CB-CB 4.18Å; I62-I767 HydrophobicContact CG2-CD1 4.31Å; I62-I767 PolarHBondContact N-O 3.49Å; I62-I767 PolarHBondContact O-N 3.17Å; I421-I767 HydrophobicContact CD1-CD1 4.14Å; I421-I767 HydrophobicContact CD1-CG1 3.43Å; I421-I767 VanDerWaalsContact CD1-CG1 3.43Å; F446-I767 HydrophobicContact CE2-CD1 4.37Å; F446-I767 HydrophobicContact CE2-CG2 4.04Å; F446-I767 HydrophobicContact CZ-CG2 4.19Å; T448-I767 HydrophobicContact CG2-CD1 3.87Å; T448-I767 HydrophobicContact CG2-CG1 4.41Å; W458-I767 HydrophobicContact CD2-CD1 4.28Å; W458-I767 HydrophobicContact CH2-CD1 4.37Å; W458-I767 HydrophobicContact CZ2-CD1 3.62Å; V759-I767 HydrophobicContact CG1-CG2 3.69Å; T760-I767 WeakPolarHBondContact O-CA 3.49Å; V761-I767 HydrophobicContact CG1-CB 4.38Å; V761-I767 HydrophobicContact CG1-CG1 4.02Å; V761-I767 HydrophobicContact CG1-CG2 4.08Å
768	F	97.2	Very high	93.3	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	125	176.5	-79.1	39.4	0	0	0	108.8	L58 V61 T88 H742 T760 C766 W770	L58-F768 HydrophobicContact CD1-CB 3.78Å; L58-F768 HydrophobicContact CD1-CD2 3.48Å; L58-F768 VanDerWaalsContact CD1-CD2 3.48Å; L58-F768 HydrophobicContact CD1-CE2 4.36Å; L58-F768 HydrophobicContact CD1-CG 3.89Å; L58-F768 HydrophobicContact CD2-CD2 3.64Å; L58-F768 HydrophobicContact CD2-CE2 3.66Å; L58-F768 HydrophobicContact CG-CD2 4.23Å; V61-F768 HydrophobicContact CB-CD1 4.49Å; V61-F768 HydrophobicContact CB-CE1 4.47Å; V61-F768 HydrophobicContact CG1-CD1 3.96Å; V61-F768 HydrophobicContact CG1-CE1 3.7Å; V61-F768 HydrophobicContact CG1-CZ 4.39Å; V61-F768 HydrophobicContact CG2-CD1 3.95Å; V61-F768 HydrophobicContact CG2-CD2 4.16Å; V61-F768 HydrophobicContact CG2-CE1 3.92Å; V61-F768 HydrophobicContact CG2-CE2 4.12Å; V61-F768 HydrophobicContact CG2-CG 4.08Å; V61-F768 HydrophobicContact CG2-CZ 4.01Å; T88-F768 HydrophobicContact CG2-CZ 4.49Å; H742-F768 AromaticContact CE1-CD1 3.32Å; H742-F768 WeakPolarHBondContact CE1-CD1 3.38Å; H742-F768 AromaticContact CE1-CE1 3.91Å; H742-F768 AromaticContact CE1-CG 3.48Å; H742-F768 VanDerWaalsContact CE1-CG 3.48Å; H742-F768 WeakPolarHBondContact CE1-CG 3.27Å; H742-F768 AromaticContact ND1-CD1 3.73Å; H742-F768 AromaticContact ND1-CE1 3.84Å; H742-F768 AromaticContact NE2-CD1 3.96Å; H742-F768 AromaticContact NE2-CG 3.63Å; T760-F768 PolarHBondContact N-O 2.86Å; T760-F768 PolarHBondContact O-N 3.3Å; T760-F768 WeakPolarHBondContact OG1-CB 3.22Å; T760-F768 PolarHBondContact OG1-O 3.38Å; C766-F768 HydrophobicContact CB-CD1 4.13Å; C766-F768 HydrophobicContact CB-CE1 3.82Å; F768-W770 HydrophobicContact CB-CZ2 4.33Å; F768-W770 HydrophobicContact CD2-CH2 4.29Å; F768-W770 AromaticContact CD2-CZ2 3.74Å; F768-W770 HydrophobicContact CD2-CZ2 3.74Å
769	V	95.7	Very high	92.9	Very high	3 Å²	3	24 Å²	24	2%	0.018	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	118.7	176	-174	0	0	0	0	108.8	E59 T60 V460 H757 V759	E59-V769 PolarHBondContact N-O 3.34Å; T60-V769 PolarHBondContact N-O 3.04Å; T60-V769 PolarHBondContact O-N 3.4Å; V460-V769 HydrophobicContact CG2-CG1 4.24Å; H757-V769 HydrophobicContact CB-CG1 4.23Å; V759-V769 HydrophobicContact CG2-CG2 4.47Å
770	W	95.7	Very high	92.4	Very high	13 Å²	13	24 Å²	24	5%	0.049	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	124.6	-176.8	-56.8	88.4	0	0	0	110.9	V56 Q57 L58 L739 H757 L758 T760 F768	V56-W770 HydrophobicContact CG1-CB 3.9Å; V56-W770 HydrophobicContact CG1-CE3 4.45Å; Q57-W770 CarbonylContact O-C 3.57Å; Q57-W770 VanDerWaalsContact O-CA 3.25Å; Q57-W770 WeakPolarHBondContact O-CA 3.41Å; L58-W770 HydrophobicContact CB-CE3 3.92Å; L58-W770 HydrophobicContact CB-CH2 4.31Å; L58-W770 HydrophobicContact CB-CZ3 3.72Å; L58-W770 HydrophobicContact CD1-CD2 4.13Å; L58-W770 HydrophobicContact CD1-CE3 4.19Å; L58-W770 HydrophobicContact CD1-CH2 4.29Å; L58-W770 HydrophobicContact CD1-CZ2 4.25Å; L58-W770 HydrophobicContact CD1-CZ3 4.28Å; L58-W770 HydrophobicContact CD2-CH2 4.49Å; L58-W770 HydrophobicContact CG-CZ3 4.44Å; L739-W770 HydrophobicContact CB-CD2 4.19Å; L739-W770 HydrophobicContact CB-CE3 4.15Å; L739-W770 HydrophobicContact CB-CH2 3.86Å; L739-W770 HydrophobicContact CB-CZ2 3.86Å; L739-W770 HydrophobicContact CB-CZ3 3.98Å; L739-W770 HydrophobicContact CD1-CD2 3.95Å; L739-W770 HydrophobicContact CD1-CE3 4.35Å; L739-W770 HydrophobicContact CD1-CG 4.01Å; L739-W770 HydrophobicContact CD2-CE3 4.09Å; L739-W770 HydrophobicContact CD2-CZ3 4.38Å; L739-W770 HydrophobicContact CG-CD2 4.44Å; L739-W770 HydrophobicContact CG-CE3 4.42Å; H757-W770 VanDerWaalsContact CA-O 3.31Å; H757-W770 WeakPolarHBondContact CA-O 3.38Å; L758-W770 HydrophobicContact CB-CB 4.3Å; L758-W770 PolarHBondContact N-O 2.9Å; L758-W770 PolarHBondContact O-N 2.96Å; T760-W770 PolarHBondContact OG1-NE1 2.81Å; F768-W770 HydrophobicContact CB-CZ2 4.33Å; F768-W770 HydrophobicContact CD2-CH2 4.29Å; F768-W770 AromaticContact CD2-CZ2 3.74Å; F768-W770 HydrophobicContact CD2-CZ2 3.74Å
771	Q	94	Very high	91.9	Very high	80 Å²	80	26.8 Å²	26.8	37%	0.374	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	122.9	172	-162.2	169.8	101.5	0	0	110.4	V56 Q57 E59	V56-Q771 WeakPolarHBondContact CA-O 3.38Å; V56-Q771 WeakPolarHBondContact CG1-O 3.48Å; Q57-Q771 PolarHBondContact N-O 3.18Å; Q57-Q771 PolarHBondContact O-N 2.83Å; E59-Q771 HydrophobicContact CB-CB 4.25Å; E59-Q771 PolarHBondContact OE1-NE2 2.97Å; E59-Q771 WeakPolarHBondContact OE2-CB 3.15Å; E59-Q771 PolarHBondContact OE2-NE2 3.45Å
772	L	92.5	Very high	91.2	Very high	8 Å²	8	30.4 Å²	30.4	4%	0.042	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-79	134.7	178.2	-58	176.6	0	0	0	110.7	V56 F751 R756 L758 Q774 L776 S777 I780	V56-L772 HydrophobicContact CG1-CD2 4.22Å; V56-L772 HydrophobicContact CG2-CD2 4.23Å; F751-L772 HydrophobicContact CD1-CD1 3.98Å; F751-L772 HydrophobicContact CE1-CD1 3.99Å; F751-L772 HydrophobicContact CE1-CD2 4.32Å; R756-L772 VanDerWaalsContact O-CB 3.25Å; R756-L772 WeakPolarHBondContact O-CB 3.48Å; R756-L772 VanDerWaalsContact O-CG 3.31Å; R756-L772 WeakPolarHBondContact O-CG 3.36Å; R756-L772 PolarHBondContact O-N 3.43Å; L758-L772 HydrophobicContact CB-CD2 4.01Å; L772-Q774 PolarHBondContact O-N 2.82Å; L772-L776 HydrophobicContact CB-CD2 4.31Å; L772-L776 HydrophobicContact CD2-CD2 3.92Å; L772-S777 WeakPolarHBondContact CB-OG 3.42Å; L772-S777 PolarHBondContact O-OG 3.01Å; L772-I780 HydrophobicContact CD1-CD1 4.18Å
773	D	89.8	Confident	90.4	Very high	37 Å²	37	34.3 Å²	34.3	20%	0.198	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-48	135.5	173.1	-177.2	-55.7	0	0	0	111.2	Y54 M55 C775 L776 S777	Y54-D773 HydrophobicContact CD1-CB 4.35Å; Y54-D773 HydrophobicContact CG-CB 4.33Å; M55-D773 PolarHBondContact N-OD2 3.17Å; D773-C775 PolarHBondContact O-N 2.88Å; D773-C775 WeakPolarHBondContact OD1-CB 3.42Å; D773-C775 PolarHBondContact OD1-N 2.9Å; D773-L776 HydrophobicContact CB-CB 4.13Å; D773-L776 WeakPolarHBondContact O-CA 3.43Å; D773-L776 VanDerWaalsContact O-CB 3.32Å; D773-L776 WeakPolarHBondContact O-CB 3.21Å; D773-L776 PolarHBondContact O-N 3.02Å; D773-S777 PolarHBondContact O-N 2.77Å; D773-S777 PolarHBondContact O-OG 2.91Å
774	Q	88.8	Confident	89.8	Confident	128 Å²	128	37 Å²	37	60%	0.598	19%	0.192	S	C	*	.	H	α-helix	trans	-53.9	-32.1	-177.7	-64.7	-168	21.7	0	0	113.9	L772 K778	L772-Q774 PolarHBondContact O-N 2.82Å; Q774-K778 VanDerWaalsContact O-CB 3.22Å; Q774-K778 WeakPolarHBondContact O-CB 3.19Å; Q774-K778 VanDerWaalsContact O-CD 3.23Å; Q774-K778 WeakPolarHBondContact O-CD 3.27Å; Q774-K778 WeakPolarHBondContact O-CG 3.43Å; Q774-K778 PolarHBondContact O-N 2.94Å
775	C	88.9	Confident	88.6	Confident	73 Å²	73	39.4 Å²	39.4	49%	0.493	22%	0.218	S	C	.	.	H	α-helix	trans	-72	-36	176.5	-66.1	0	0	0	0	112.1	Y54 D773 A779	Y54-C775 HydrophobicContact CD1-CB 4.07Å; Y54-C775 HydrophobicContact CE1-CB 3.64Å; D773-C775 PolarHBondContact O-N 2.88Å; D773-C775 WeakPolarHBondContact OD1-CB 3.42Å; D773-C775 PolarHBondContact OD1-N 2.9Å; C775-A779 WeakPolarHBondContact O-CB 3.06Å; C775-A779 PolarHBondContact O-N 2.63Å
776	L	88.4	Confident	86.7	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-66.5	-49.6	174.6	-176.5	59.6	0	0	0	110.1	Y54 V56 F715 L772 D773 K778 A779 I780	Y54-L776 HydrophobicContact CD2-CB 4.15Å; Y54-L776 HydrophobicContact CD2-CD1 4.04Å; Y54-L776 HydrophobicContact CD2-CG 4.49Å; Y54-L776 HydrophobicContact CE2-CD1 4.22Å; Y54-L776 HydrophobicContact CG-CB 4.21Å; V56-L776 HydrophobicContact CG2-CD2 3.96Å; F715-L776 HydrophobicContact CD1-CD1 3.87Å; F715-L776 HydrophobicContact CD2-CD1 3.61Å; F715-L776 HydrophobicContact CE1-CD1 3.72Å; F715-L776 HydrophobicContact CE2-CD1 3.46Å; F715-L776 VanDerWaalsContact CE2-CD1 3.46Å; F715-L776 HydrophobicContact CG-CD1 3.82Å; F715-L776 HydrophobicContact CZ-CD1 3.51Å; L772-L776 HydrophobicContact CB-CD2 4.31Å; L772-L776 HydrophobicContact CD2-CD2 3.92Å; D773-L776 HydrophobicContact CB-CB 4.13Å; D773-L776 WeakPolarHBondContact O-CA 3.43Å; D773-L776 VanDerWaalsContact O-CB 3.32Å; D773-L776 WeakPolarHBondContact O-CB 3.21Å; D773-L776 PolarHBondContact O-N 3.02Å; L776-K778 PolarHBondContact O-N 2.81Å; L776-A779 WeakPolarHBondContact O-CB 3.48Å; L776-A779 PolarHBondContact O-N 2.92Å; L776-A779 VanDerWaalsContact O-N 3.12Å; L776-I780 HydrophobicContact CG-CD1 4.36Å; L776-I780 WeakPolarHBondContact O-CG1 3.3Å; L776-I780 PolarHBondContact O-N 3.18Å
777	S	89.9	Confident	84.5	Confident	8 Å²	8	47.6 Å²	47.6	6%	0.056	26%	0.264	C	S	.	.	H	α-helix	trans	-59.7	-43.3	176.4	-48.9	0	0	0	0	112.3	C755 L772 D773 I780 M781	C755-S777 WeakPolarHBondContact O-CA 3.34Å; C755-S777 WeakPolarHBondContact O-CB 3.48Å; C755-S777 PolarHBondContact O-OG 3.01Å; L772-S777 WeakPolarHBondContact CB-OG 3.42Å; L772-S777 PolarHBondContact O-OG 3.01Å; D773-S777 PolarHBondContact O-N 2.77Å; D773-S777 PolarHBondContact O-OG 2.91Å; S777-I780 PolarHBondContact O-N 3.19Å; S777-M781 VanDerWaalsContact O-CE 3.25Å; S777-M781 WeakPolarHBondContact O-CE 3.48Å; S777-M781 WeakPolarHBondContact O-CG 3.38Å; S777-M781 PolarHBondContact O-N 2.87Å
778	K	87.7	Confident	81.2	Confident	114 Å²	114	51.2 Å²	51.2	50%	0.496	29%	0.29	S	S	.	.	H	α-helix	trans	-65.4	-37.1	174.2	-73.1	163.4	-165.8	164.5	0	112.1	Q774 L776 S782	Q774-K778 VanDerWaalsContact O-CB 3.22Å; Q774-K778 WeakPolarHBondContact O-CB 3.19Å; Q774-K778 VanDerWaalsContact O-CD 3.23Å; Q774-K778 WeakPolarHBondContact O-CD 3.27Å; Q774-K778 WeakPolarHBondContact O-CG 3.43Å; Q774-K778 PolarHBondContact O-N 2.94Å; L776-K778 PolarHBondContact O-N 2.81Å; K778-S782 VanDerWaalsContact O-CB 3.26Å; K778-S782 WeakPolarHBondContact O-CB 3.37Å; K778-S782 PolarHBondContact O-N 2.88Å; K778-S782 PolarHBondContact O-OG 3.12Å
779	A	87.6	Confident	77.7	Confident	22 Å²	22	56.5 Å²	56.5	18%	0.182	33%	0.325	C	S	.	.	H	α-helix	trans	-63.8	-46.4	175.6	0	0	0	0	0	111.5	F715 C775 L776 S782 R783	F715-A779 HydrophobicContact CE2-CB 3.99Å; F715-A779 HydrophobicContact CZ-CB 4.14Å; C775-A779 WeakPolarHBondContact O-CB 3.06Å; C775-A779 PolarHBondContact O-N 2.63Å; L776-A779 WeakPolarHBondContact O-CB 3.48Å; L776-A779 PolarHBondContact O-N 2.92Å; L776-A779 VanDerWaalsContact O-N 3.12Å; A779-S782 PolarHBondContact O-N 3.34Å; A779-S782 PolarHBondContact O-OG 2.88Å; A779-R783 PolarHBondContact O-N 2.89Å
780	I	87.5	Confident	74.3	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.005	36%	0.362	C	S	.	.	H	α-helix	trans	-56.2	-57.6	174.4	-67.5	168.6	0	0	0	110.7	D710 S712 F715 C755 L772 L776 S777 S782 R783 L784	D710-I780 HydrophobicContact CB-CD1 4.12Å; D710-I780 HydrophobicContact CB-CG1 4.3Å; D710-I780 WeakPolarHBondContact OD2-CG1 3.35Å; D710-I780 WeakPolarHBondContact OD2-CG2 3.25Å; S712-I780 WeakPolarHBondContact CB-O 3.33Å; F715-I780 HydrophobicContact CD2-CD1 4.36Å; F715-I780 HydrophobicContact CD2-CG1 3.84Å; F715-I780 HydrophobicContact CE2-CG1 4.06Å; C755-I780 HydrophobicContact CB-CG2 3.9Å; L772-I780 HydrophobicContact CD1-CD1 4.18Å; L776-I780 HydrophobicContact CG-CD1 4.36Å; L776-I780 WeakPolarHBondContact O-CG1 3.3Å; L776-I780 PolarHBondContact O-N 3.18Å; S777-I780 PolarHBondContact O-N 3.19Å; I780-S782 PolarHBondContact O-N 2.99Å; I780-R783 PolarHBondContact O-N 2.93Å; I780-L784 HydrophobicContact CG2-CD1 3.84Å; I780-L784 PolarHBondContact O-N 2.59Å
781	M	86.5	Confident	70.9	Confident	57 Å²	57	69.6 Å²	69.6	28%	0.281	39%	0.388	S	S	.	.	H	α-helix	trans	-59.6	-40.8	-178.7	-73.2	-176.8	-83.9	0	0	113.1	C755 S777 R783 L784 G785 F808	C755-M781 HydrophobicContact CB-CG 3.75Å; C755-M781 HydrophobicContact CB-SD 4.47Å; S777-M781 VanDerWaalsContact O-CE 3.25Å; S777-M781 WeakPolarHBondContact O-CE 3.48Å; S777-M781 WeakPolarHBondContact O-CG 3.38Å; S777-M781 PolarHBondContact O-N 2.87Å; M781-R783 VanDerWaalsContact C-N 3.3Å; M781-R783 PolarHBondContact O-N 2.64Å; M781-L784 PolarHBondContact O-N 2.75Å; M781-G785 PolarHBondContact O-N 2.98Å; M781-F808 HydrophobicContact CE-CE1 4.32Å; M781-F808 HydrophobicContact CE-CZ 4.37Å; M781-F808 HydrophobicContact SD-CZ 4.16Å
782	S	82.8	Confident	67.6	Low	77 Å²	77	72.3 Å²	72.3	54%	0.538	41%	0.413	S	S	.	.	H	α-helix	trans	-63.4	-35.7	-179.9	69.7	0	0	0	0	113	K778 A779 I780 S786	K778-S782 VanDerWaalsContact O-CB 3.26Å; K778-S782 WeakPolarHBondContact O-CB 3.37Å; K778-S782 PolarHBondContact O-N 2.88Å; K778-S782 PolarHBondContact O-OG 3.12Å; A779-S782 PolarHBondContact O-N 3.34Å; A779-S782 PolarHBondContact O-OG 2.88Å; I780-S782 PolarHBondContact O-N 2.99Å; S782-S786 PolarHBondContact O-N 3.47Å
783	R	79.2	Confident	64.4	Low	81 Å²	81	76.7 Å²	76.7	31%	0.306	44%	0.44	S	S	.	.	H	α-helix	trans	-81.6	-34	180	-73.9	172.9	173	179.7	-0.1	112.3	S714 A779 I780 M781 G785 S786 K787	S714-R783 WeakPolarHBondContact OG-CD 3.48Å; S714-R783 PolarHBondContact OG-NH1 2.86Å; A779-R783 PolarHBondContact O-N 2.89Å; I780-R783 PolarHBondContact O-N 2.93Å; M781-R783 VanDerWaalsContact C-N 3.3Å; M781-R783 PolarHBondContact O-N 2.64Å; R783-G785 VanDerWaalsContact C-N 3.33Å; R783-G785 PolarHBondContact O-N 2.88Å; R783-S786 WeakPolarHBondContact CA-OG 3.18Å; R783-S786 PolarHBondContact O-N 2.87Å; R783-S786 VanDerWaalsContact O-N 3.09Å; R783-S786 PolarHBondContact O-OG 3.23Å; R783-K787 PolarHBondContact O-N 3.15Å; R783-K787 VanDerWaalsContact O-N 3.12Å
784	L	78.6	Confident	61.3	Low	66 Å²	66	82.7 Å²	82.7	35%	0.346	47%	0.472	S	S	.	.	H	α-helix	trans	-52.8	-49	167.6	-87.3	156.6	0	0	0	111.8	P711 C755 I780 M781 S786 K787	P711-L784 HydrophobicContact CB-CD1 4.3Å; P711-L784 HydrophobicContact CB-CD2 4.13Å; P711-L784 WeakPolarHBondContact O-CD2 3.31Å; C755-L784 VanDerWaalsContact SG-CD1 3.52Å; I780-L784 HydrophobicContact CG2-CD1 3.84Å; I780-L784 PolarHBondContact O-N 2.59Å; M781-L784 PolarHBondContact O-N 2.75Å; L784-S786 VanDerWaalsContact C-N 3.28Å; L784-S786 PolarHBondContact O-N 3Å; L784-K787 PolarHBondContact O-N 3.37Å
785	G	62.8	Low	58.5	Low	57 Å²	57	83 Å²	83	59%	0.588	48%	0.482	S	S	*	.	H	α-helix	trans	-60.2	-36	175.7	0	0	0	0	0	113.4	M781 R783	M781-G785 PolarHBondContact O-N 2.98Å; R783-G785 VanDerWaalsContact C-N 3.33Å; R783-G785 PolarHBondContact O-N 2.88Å
786	S	53.9	Low	55.4	Low	86 Å²	86	84.7 Å²	84.7	60%	0.601	50%	0.502	S	S	*	.	H	α-helix	trans	-73.8	-24	-179.7	77.9	0	0	0	0	115	S782 R783 L784 S788	S782-S786 PolarHBondContact O-N 3.47Å; R783-S786 WeakPolarHBondContact CA-OG 3.18Å; R783-S786 PolarHBondContact O-N 2.87Å; R783-S786 VanDerWaalsContact O-N 3.09Å; R783-S786 PolarHBondContact O-OG 3.23Å; L784-S786 VanDerWaalsContact C-N 3.28Å; L784-S786 PolarHBondContact O-N 3Å; S786-S788 PolarHBondContact O-N 3.26Å
787	K	48.7	Very low	52.4	Low	87 Å²	87	88.1 Å²	88.1	38%	0.378	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	10.7	179.1	-81.5	-175.5	167.5	179.8	0	113.3	D665 S712 R783 L784 P789	D665-K787 IonicContact OD1-NZ 3.3Å; D665-K787 IonicContact OD2-NZ 2.73Å; D665-K787 PolarHBondContact OD2-NZ 2.6Å; D665-K787 VanDerWaalsContact OD2-NZ 3.12Å; S712-K787 WeakPolarHBondContact O-CE 3.4Å; S712-K787 PolarHBondContact O-NZ 3.48Å; R783-K787 PolarHBondContact O-N 3.15Å; R783-K787 VanDerWaalsContact O-N 3.12Å; L784-K787 PolarHBondContact O-N 3.37Å; K787-P789 WeakPolarHBondContact O-CD 3.41Å
788	S	28.3	Very low	49.3	Very low	78 Å²	78	91.8 Å²	91.8	55%	0.545	56%	0.563	S	S	.	*			trans	-78	116.6	172.4	-174.4	0	0	0	0	111.4	S786 Y790	S786-S788 PolarHBondContact O-N 3.26Å; S788-Y790 PolarHBondContact O-N 3.21Å
789	P	24.8	Very low	46.2	Very low	111 Å²	111	93.7 Å²	93.7	72%	0.721	58%	0.578	S	S	*	*			trans	-84.2	31.7	-168.9	35.8	-37.9	0	0	0	114.6	K787	K787-P789 WeakPolarHBondContact O-CD 3.41Å
790	Y	25	Very low	43.2	Very low	205 Å²	205	98.2 Å²	98.2	80%	0.804	60%	0.599	S	S	*	*			trans	-140.7	128.2	174.5	-74.9	-77.2	0	0	0	112.3	S788	S788-Y790 PolarHBondContact O-N 3.21Å
791	S	22.9	Very low	40.1	Very low	86 Å²	86	105.2 Å²	105.2	60%	0.601	63%	0.631	S	S	*	*			trans	-74.1	140.7	168.8	51.9	0	0	0	0	111.1	T793	S791-T793 VanDerWaalsContact C-N 3.32Å; S791-T793 PolarHBondContact O-N 3.49Å
792	P	25.3	Very low	37.2	Very low	137 Å²	137	112.2 Å²	112.2	89%	0.89	66%	0.655	S	S	*	*	S	Bend	trans	-75.7	83	176.6	31.4	-34.8	0	0	0	111.1
793	T	24.5	Very low	34.5	Very low	99 Å²	99	113.8 Å²	113.8	61%	0.607	66%	0.657	S	S	*	*			trans	-133.7	127.9	173.5	46.6	0	0	0	0	109.7	S791	S791-T793 VanDerWaalsContact C-N 3.32Å; S791-T793 PolarHBondContact O-N 3.49Å
794	D	24.7	Very low	32.2	Very low	163 Å²	163	114.1 Å²	114.1	87%	0.872	66%	0.664	S	S	*	*	S	Bend	trans	66.1	46	167.5	-56	-20.8	0	0	0	119.2
795	V	30.3	Very low	29.8	Very low	134 Å²	134	113.3 Å²	113.3	81%	0.812	66%	0.664	S	S	*	*			trans	-134.1	111.7	146.4	-174.3	0	0	0	0	110.5
796	A	24.2	Very low	28.1	Very low	110 Å²	110	116.4 Å²	116.4	91%	0.909	67%	0.667	S	S	*	*			trans	-85.1	118.4	170.8	0	0	0	0	0	110.3
797	G	24.3	Very low	27.1	Very low	71 Å²	71	118 Å²	118	73%	0.732	67%	0.665	S	S	*	*	S	Bend	trans	115.3	57	165.2	0	0	0	0	0	117.7
798	S	24.9	Very low	26.3	Very low	86 Å²	86	117.3 Å²	117.3	60%	0.601	66%	0.662	S	S	*	*			trans	-176.5	113.6	137.4	32.9	0	0	0	0	111.8	L800	S798-L800 PolarHBondContact O-N 3.49Å
799	N	22.8	Very low	26.4	Very low	153 Å²	153	118.4 Å²	118.4	82%	0.818	66%	0.662	S	S	*	*			trans	-77.7	100.1	170.8	-69.4	7.6	0	0	0	109.1
800	L	24.6	Very low	26.7	Very low	118 Å²	118	121.2 Å²	121.2	62%	0.618	66%	0.662	S	S	*	*			trans	-92.9	87.4	156.7	-87.9	77.8	0	0	0	107.9	K435 S798	K435-L800 HydrophobicContact CD-CD2 4.44Å; S798-L800 PolarHBondContact O-N 3.49Å
801	E	23.5	Very low	26.9	Very low	147 Å²	147	115.5 Å²	115.5	69%	0.687	65%	0.646	S	S	*	*			trans	-70.6	143.6	162.9	-68.9	-178.8	121.3	0	0	109.5	N803	E801-N803 PolarHBondContact O-N 2.94Å
802	W	26.2	Very low	27.2	Very low	204 Å²	204	114.4 Å²	114.4	77%	0.773	64%	0.642	S	S	*	*			trans	-69.7	96.9	166	-73.4	81.2	0	0	0	107.8	I804	W802-I804 HydrophobicContact CB-CD1 4.14Å; W802-I804 HydrophobicContact CB-CG1 4.34Å; W802-I804 HydrophobicContact CE3-CD1 4.34Å; W802-I804 PolarHBondContact O-N 3.27Å
803	N	24.6	Very low	27.4	Very low	111 Å²	111	114.4 Å²	114.4	59%	0.594	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-74.6	47.5	-176	-106.3	-19	0	0	0	113.7	E801 S805	E801-N803 PolarHBondContact O-N 2.94Å; N803-S805 PolarHBondContact O-N 2.96Å; N803-S805 PolarHBondContact OD1-OG 3.01Å
804	I	32.4	Very low	27.6	Very low	88 Å²	88	114.7 Å²	114.7	45%	0.451	63%	0.626	S	S	.	*	G	3₁₀ helix	trans	-68.3	-23	168.2	-64.5	172.6	0	0	0	110.3	W802 N806 H807 F808	W802-I804 HydrophobicContact CB-CD1 4.14Å; W802-I804 HydrophobicContact CB-CG1 4.34Å; W802-I804 HydrophobicContact CE3-CD1 4.34Å; W802-I804 PolarHBondContact O-N 3.27Å; I804-N806 VanDerWaalsContact C-N 3.34Å; I804-N806 PolarHBondContact O-N 3.19Å; I804-H807 PolarHBondContact O-N 3.36Å; I804-F808 HydrophobicContact CG2-CD2 3.44Å; I804-F808 VanDerWaalsContact CG2-CD2 3.44Å; I804-F808 HydrophobicContact CG2-CE2 3.22Å; I804-F808 HydrophobicContact CG2-CG 4.39Å; I804-F808 HydrophobicContact CG2-CZ 4.04Å; I804-F808 WeakPolarHBondContact O-CD2 3.11Å
805	S	27.3	Very low	27.8	Very low	49 Å²	49	110.9 Å²	110.9	34%	0.343	62%	0.617	S	S	.	*	G	3₁₀ helix	trans	-39.6	-52.3	172.9	45.3	0	0	0	0	114.5	N803 H807 F808	N803-S805 PolarHBondContact O-N 2.96Å; N803-S805 PolarHBondContact OD1-OG 3.01Å; S805-H807 PolarHBondContact O-N 3.12Å; S805-F808 PolarHBondContact O-N 3.07Å; S805-F808 VanDerWaalsContact O-N 3.08Å
806	N	27.8	Very low	27.6	Very low	122 Å²	122	108.7 Å²	108.7	65%	0.652	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-65.2	-14.9	-170	-76.6	-20.1	0	0	0	115.4	I804	I804-N806 VanDerWaalsContact C-N 3.34Å; I804-N806 PolarHBondContact O-N 3.19Å
807	H	32.6	Very low	27.7	Very low	120 Å²	120	108.2 Å²	108.2	56%	0.556	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-113.2	5.2	175.7	-108.1	-87.8	0	0	0	114.5	R756 I804 S805	R756-H807 PolarHBondContact NH2-O 2.65Å; I804-H807 PolarHBondContact O-N 3.36Å; S805-H807 PolarHBondContact O-N 3.12Å
808	F	30.7	Very low	27.9	Very low	72 Å²	72	114.6 Å²	114.6	32%	0.316	60%	0.601	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.9	-42.7	179.6	-91.3	-110.2	0	0	0	113.2	R756 M781 I804 S805 K810 A812	R756-F808 VanDerWaalsContact NH2-CZ 3.35Å; M781-F808 HydrophobicContact CE-CE1 4.32Å; M781-F808 HydrophobicContact CE-CZ 4.37Å; M781-F808 HydrophobicContact SD-CZ 4.16Å; I804-F808 HydrophobicContact CG2-CD2 3.44Å; I804-F808 VanDerWaalsContact CG2-CD2 3.44Å; I804-F808 HydrophobicContact CG2-CE2 3.22Å; I804-F808 HydrophobicContact CG2-CG 4.39Å; I804-F808 HydrophobicContact CG2-CZ 4.04Å; I804-F808 WeakPolarHBondContact O-CD2 3.11Å; S805-F808 PolarHBondContact O-N 3.07Å; S805-F808 VanDerWaalsContact O-N 3.08Å; F808-K810 PolarHBondContact O-N 2.96Å; F808-A812 WeakPolarHBondContact O-CB 3.19Å; F808-A812 PolarHBondContact O-N 3.25Å
809	D	31.1	Very low	28.1	Very low	101 Å²	101	115.8 Å²	115.8	54%	0.54	61%	0.607	S	S	.	*	H	α-helix	trans	-68.8	-30.3	-173.6	-79.5	-44.9	0	0	0	114.7	N811 Q813	D809-N811 PolarHBondContact O-N 3.22Å; D809-Q813 WeakPolarHBondContact O-CG 3.43Å
810	K	30	Very low	28.3	Very low	169 Å²	169	113.9 Å²	113.9	74%	0.735	60%	0.603	S	S	*	*	H	α-helix	trans	-72.8	-22.9	-173.1	-73.6	-176.7	177.4	176.6	0	115.5	F808	F808-K810 PolarHBondContact O-N 2.96Å
811	N	30	Very low	28.6	Very low	85 Å²	85	115.8 Å²	115.8	46%	0.455	61%	0.614	S	S	.	*	H	α-helix	trans	-113.1	-22.3	176.6	-77.6	-23.4	0	0	0	113.2	D809 Q813 M814 K892	D809-N811 PolarHBondContact O-N 3.22Å; N811-Q813 VanDerWaalsContact C-N 3.25Å; N811-Q813 PolarHBondContact O-N 2.89Å; N811-M814 PolarHBondContact O-N 2.79Å; N811-M814 VanDerWaalsContact O-N 3.15Å; N811-K892 PolarHBondContact OD1-NZ 3.09Å
812	A	30.3	Very low	29	Very low	64 Å²	64	112 Å²	112	53%	0.529	61%	0.614	S	S	.	*	H	α-helix	trans	-61.5	-33.2	170.9	0	0	0	0	0	112.8	F808 M814	F808-A812 WeakPolarHBondContact O-CB 3.19Å; F808-A812 PolarHBondContact O-N 3.25Å; A812-M814 VanDerWaalsContact C-N 3.25Å; A812-M814 PolarHBondContact O-N 3.29Å
813	Q	29.6	Very low	29.1	Very low	137 Å²	137	111.8 Å²	111.8	64%	0.64	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-3	177.9	-64.3	-179.4	17.7	0	0	114.3	D809 N811	D809-Q813 WeakPolarHBondContact O-CG 3.43Å; N811-Q813 VanDerWaalsContact C-N 3.25Å; N811-Q813 PolarHBondContact O-N 2.89Å
814	M	26.9	Very low	29.6	Very low	105 Å²	105	112.1 Å²	112.1	52%	0.517	63%	0.627	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.2	-8.1	179.5	-73.4	-83.8	161.3	0	0	113.4	N811 A812 K892	N811-M814 PolarHBondContact O-N 2.79Å; N811-M814 VanDerWaalsContact O-N 3.15Å; A812-M814 VanDerWaalsContact C-N 3.25Å; A812-M814 PolarHBondContact O-N 3.29Å; M814-K892 HydrophobicContact CE-CB 4.44Å; M814-K892 HydrophobicContact CE-CD 3.89Å; M814-K892 HydrophobicContact CE-CG 3.81Å; M814-K892 HydrophobicContact CG-CD 4.35Å; M814-K892 HydrophobicContact SD-CD 3.65Å; M814-K892 HydrophobicContact SD-CG 4.12Å
815	A	29.6	Very low	29.4	Very low	83 Å²	83	113.3 Å²	113.3	69%	0.686	64%	0.642	S	S	*	*	S	Bend	trans	-103.8	14.2	179.7	0	0	0	0	0	113.6
816	S	27	Very low	29.6	Very low	87 Å²	87	119.9 Å²	119.9	61%	0.608	67%	0.665	S	S	*	*			trans	-122.9	8.5	-169.4	57.1	0	0	0	0	115.2	Y818	S816-Y818 VanDerWaalsContact C-N 3.33Å; S816-Y818 PolarHBondContact O-N 2.99Å
817	S	25.1	Very low	29.7	Very low	100 Å²	100	120.6 Å²	120.6	70%	0.699	67%	0.669	S	S	*	*			trans	-88.3	47	-174.8	51.7	0	0	0	0	114.8
818	Y	27.9	Very low	29.5	Very low	205 Å²	205	121.2 Å²	121.2	80%	0.804	68%	0.675	S	S	*	*			trans	-120.1	123.2	166.8	-80.7	-78.5	0	0	0	110.9	S816	S816-Y818 VanDerWaalsContact C-N 3.33Å; S816-Y818 PolarHBondContact O-N 2.99Å
819	P	30.7	Very low	29.3	Very low	112 Å²	112	124 Å²	124	73%	0.727	69%	0.693	S	S	*	*			trans	-84.7	138.8	-168.9	31.8	-35.2	0	0	0	113.9
820	P	26.7	Very low	29.2	Very low	113 Å²	113	125.6 Å²	125.6	73%	0.734	70%	0.702	S	S	*	*			trans	-85.6	129.6	-178.9	32.3	-34.4	0	0	0	113.7
821	N	31.2	Very low	29.1	Very low	158 Å²	158	124.1 Å²	124.1	85%	0.845	70%	0.702	S	S	*	*			trans	-154	136.1	165.9	-90	-55.9	0	0	0	111.3
822	G	30.9	Very low	28.9	Very low	66 Å²	66	128.3 Å²	128.3	68%	0.68	72%	0.719	S	S	*	*			cis	176.3	148	-11.4	0	0	0	0	0	116.9
823	K	28.4	Very low	28.8	Very low	200 Å²	200	129.2 Å²	129.2	87%	0.87	73%	0.726	S	S	*	*			trans	72.2	151.7	148.2	-66.4	175	179.3	169.9	0	121.6
824	P	34.7	Very low	28.7	Very low	119 Å²	119	129.2 Å²	129.2	77%	0.773	73%	0.73	S	S	*	*			trans	-125.2	179.4	-166.8	43.5	-28.6	0	0	0	115.2
825	S	29.4	Very low	29.1	Very low	112 Å²	112	130.9 Å²	130.9	78%	0.783	74%	0.741	S	S	*	*			trans	-165.8	119	147.6	11.1	0	0	0	0	116.4
826	K	30.3	Very low	29.3	Very low	188 Å²	188	133.7 Å²	133.7	82%	0.817	75%	0.745	S	S	*	*				32.6	121.8	129.6	-66.6	-175.6	177	-178	0	120.2
827	N	31.2	Very low	29.8	Very low	137 Å²	137	137.5 Å²	137.5	73%	0.733	76%	0.758	S	S	*	*				178.2	140.6	89.6	-102.8	-16.9	0	0	0	116.7
828	L	27.9	Very low	29.9	Very low	132 Å²	132	137.7 Å²	137.7	69%	0.691	76%	0.76	S	S	*	*			trans	39.1	115.1	143.3	-86.2	75.6	0	0	0	123.1
829	N	27	Very low	30.2	Very low	130 Å²	130	136 Å²	136	70%	0.695	76%	0.763	S	S	*	*				78.1	146.6	115.4	-65.2	13	0	0	0	124
830	N	27.7	Very low	30.2	Very low	135 Å²	135	138.1 Å²	138.1	72%	0.722	77%	0.766	S	S	*	*			trans	90.4	123.1	144.8	-79.3	9.4	0	0	0	121.2
831	L	27.6	Very low	30.3	Very low	139 Å²	139	140.5 Å²	140.5	73%	0.728	77%	0.772	S	S	*	*			trans	68.7	111.5	149.6	-56.4	164.5	0	0	0	116
832	Q	25.8	Very low	30.2	Very low	173 Å²	173	135.7 Å²	135.7	81%	0.808	76%	0.759	S	S	*	*			cis	85.1	131.7	46.7	-171.4	179	5.1	0	0	112.7
833	A	29	Very low	30.2	Very low	82 Å²	82	140.3 Å²	140.3	68%	0.678	77%	0.768	S	S	*	*			trans	69.4	145.5	-178.9	0	0	0	0	0	115.6
834	N	28.5	Very low	30.2	Very low	137 Å²	137	136.8 Å²	136.8	73%	0.733	76%	0.763	S	S	*	*			cis	-164	-171.8	-15.1	-110.1	8.1	0	0	0	107.5
835	D	34.5	Very low	30.1	Very low	141 Å²	141	137.1 Å²	137.1	75%	0.754	77%	0.765	S	S	*	*			trans	70.4	145.8	161.4	-42.8	-30.3	0	0	0	116.9
836	D	33.7	Very low	30	Very low	141 Å²	141	141.1 Å²	141.1	75%	0.754	77%	0.769	S	S	*	*			cis	-162.9	144.2	-36.4	-125.4	-16.9	0	0	0	108.5
837	D	37	Very low	29.9	Very low	167 Å²	167	136.4 Å²	136.4	89%	0.893	76%	0.764	S	S	*	*			trans	159.5	107.1	153.2	-97.3	-24.7	0	0	0	110
838	S	27.6	Very low	29.9	Very low	105 Å²	105	136.9 Å²	136.9	73%	0.734	77%	0.767	S	S	*	*			trans	-127.5	118.3	-176.5	-70.3	0	0	0	0	113
839	L	33.9	Very low	30	Very low	168 Å²	168	138.3 Å²	138.3	88%	0.88	78%	0.775	S	S	*	*			trans	-141.8	97.7	163.7	-68.7	176.1	0	0	0	108.1
840	M	31.7	Very low	30.2	Very low	158 Å²	158	139.7 Å²	139.7	78%	0.778	78%	0.783	S	S	*	*				76.4	140.5	77	-68.4	-96.3	-77	0	0	113.7
841	L	27.2	Very low	30.2	Very low	163 Å²	163	137.3 Å²	137.3	85%	0.853	78%	0.782	S	S	*	*			cis	-174.4	155.7	-35	-129.6	157.4	0	0	0	107.4
842	G	30	Very low	30.2	Very low	56 Å²	56	138.9 Å²	138.9	58%	0.577	79%	0.79	S	S	*	*			trans	104.6	140.7	175.7	0	0	0	0	0	113.9
843	D	30.8	Very low	30.1	Very low	163 Å²	163	136.1 Å²	136.1	87%	0.872	79%	0.785	S	S	*	*			cis	-140.9	158.9	-0.3	-81	-40.4	0	0	0	111.9
844	V	28.1	Very low	30.1	Very low	127 Å²	127	142.3 Å²	142.3	77%	0.77	80%	0.797	S	S	*	*			trans	-131.8	122.9	175.1	174	0	0	0	0	109.9
845	P	34	Very low	29.9	Very low	126 Å²	126	140.9 Å²	140.9	82%	0.818	80%	0.798	S	S	*	*			trans	-78.2	132.6	166.4	-10.2	27.3	0	0	0	111.4
846	K	25.7	Very low	29.7	Very low	196 Å²	196	138 Å²	138	85%	0.852	80%	0.801	S	S	*	*			trans	-128.2	163.7	159.8	-92.4	-171.2	172.9	-174.6	0	107.7
847	A	30	Very low	29.3	Very low	88 Å²	88	140.2 Å²	140.2	73%	0.727	80%	0.804	S	S	*	*			trans	72.2	154.3	-172.1	0	0	0	0	0	112.3
848	D	31.2	Very low	28.8	Very low	148 Å²	148	144.5 Å²	144.5	79%	0.791	81%	0.808	S	S	*	*			cis	-109.6	143.4	13.4	-67.7	-46.8	0	0	0	115.4
849	D	29.1	Very low	28.7	Very low	161 Å²	161	143.5 Å²	143.5	86%	0.861	80%	0.801	S	S	*	*			trans	-71.7	129.7	148.7	-77	-62.3	0	0	0	108.6
850	N	31.9	Very low	28.3	Very low	160 Å²	160	145 Å²	145	86%	0.856	80%	0.795	S	S	*	*			trans	-153.8	141.2	153.6	-110	-57.5	0	0	0	112.1
851	A	26.4	Very low	28.1	Very low	84 Å²	84	144.7 Å²	144.7	69%	0.694	79%	0.791	S	S	*	*			trans	-88.2	151.4	-171.5	0	0	0	0	0	112.5
852	L	28.9	Very low	28.1	Very low	172 Å²	172	145.9 Å²	145.9	90%	0.901	80%	0.795	S	S	*	*			trans	-144.4	106.4	139.2	-112.4	173.8	0	0	0	110.4
853	T	24.1	Very low	28	Very low	116 Å²	116	147.6 Å²	147.6	71%	0.712	80%	0.804	S	S	*	*			trans	-77.2	137.2	175.3	50.3	0	0	0	0	111.2
854	F	27.7	Very low	28.2	Very low	212 Å²	212	145.3 Å²	145.3	93%	0.93	80%	0.798	S	S	*	*			trans	-138.6	110.3	148.9	-128.5	-86.9	0	0	0	111.1
855	S	24.8	Very low	28.2	Very low	106 Å²	106	146.4 Å²	146.4	74%	0.741	80%	0.8	S	S	*	*			trans	-95.9	118.8	-177.8	61	0	0	0	0	111.5
856	G	30	Very low	27.9	Very low	81 Å²	81	148.8 Å²	148.8	84%	0.835	80%	0.797	S	S	*	*			trans	-117.1	70.3	175	0	0	0	0	0	112.6
857	K	24.6	Very low	27.9	Very low	187 Å²	187	145.4 Å²	145.4	81%	0.813	79%	0.788	S	S	*	*			trans	-64	133	175.7	-67	173.3	178.8	171.6	0	111
858	W	27	Very low	28.1	Very low	257 Å²	257	150 Å²	150	97%	0.973	79%	0.794	S	S	*	*			trans	-138.7	121.7	132.4	-89.9	89.1	0	0	0	110.1
859	S	26	Very low	27.8	Very low	85 Å²	85	147.1 Å²	147.1	59%	0.594	79%	0.786	S	S	*	*			trans	-96.8	177.4	169.3	58.4	0	0	0	0	108.9
860	R	25.7	Very low	27.8	Very low	199 Å²	199	145.9 Å²	145.9	75%	0.751	78%	0.779	S	S	*	*			cis	179.6	163.8	35.8	-147.2	167.9	-170.1	-167.5	8.4	109.7
861	H	26.8	Very low	27.6	Very low	151 Å²	151	143.5 Å²	143.5	70%	0.699	78%	0.775	S	S	*	*			trans	68.7	155.3	166.4	-55.9	-62.6	0	0	0	116
862	M	28.1	Very low	27.8	Very low	188 Å²	188	147.4 Å²	147.4	93%	0.926	78%	0.783	S	S	*	*			cis	-134.7	-173.7	9.8	-145.1	149.4	-178	0	0	113.1
863	A	27.7	Very low	27.7	Very low	92 Å²	92	144.7 Å²	144.7	76%	0.76	77%	0.77	S	S	*	*			trans	-108	173.9	-162.3	0	0	0	0	0	113.7
864	P	34	Very low	27.9	Very low	116 Å²	116	147.4 Å²	147.4	75%	0.753	77%	0.772	S	S	*	*			trans	-107.1	162.2	-164.2	40.4	-34.5	0	0	0	116.3
865	D	29.1	Very low	27.9	Very low	150 Å²	150	141.4 Å²	141.4	80%	0.802	76%	0.761	S	S	*	*			trans	-141	147.3	156.3	-78.4	-54.9	0	0	0	106.2
866	K	26.9	Very low	28	Very low	175 Å²	175	146.2 Å²	146.2	76%	0.761	77%	0.769	S	S	*	*				62.4	127.5	54.2	-73.2	-165.3	174	-166.9	0	112
867	D	27.2	Very low	27.9	Very low	125 Å²	125	151.4 Å²	151.4	67%	0.668	77%	0.772	S	S	*	*			cis	-153.1	-169.9	22.9	-88	-43.5	0	0	0	111.7
868	H	32.1	Very low	28	Very low	185 Å²	185	146 Å²	146	86%	0.856	77%	0.769	S	S	*	*			trans	91.6	159.4	156.7	-68.6	-62.3	0	0	0	121.2
869	S	25.9	Very low	28	Very low	88 Å²	88	140.4 Å²	140.4	62%	0.615	77%	0.768	S	S	*	*			trans	-150	-178.2	-150.6	48.6	0	0	0	0	111.7
870	D	28.1	Very low	28.1	Very low	135 Å²	135	141.8 Å²	141.8	72%	0.722	78%	0.777	S	S	*	*			trans	81.1	104.2	154.6	-53.2	-49.8	0	0	0	121.5
871	S	28.8	Very low	28.8	Very low	109 Å²	109	137.3 Å²	137.3	76%	0.762	77%	0.774	S	S	*	*				83.8	138.6	123.1	76.8	0	0	0	0	122.1
872	L	30.6	Very low	28.8	Very low	166 Å²	166	139.3 Å²	139.3	87%	0.869	78%	0.784	S	S	*	*			trans	147.3	100.3	149.7	-83.9	167.9	0	0	0	107.8
873	D	27	Very low	28.8	Very low	116 Å²	116	133.9 Å²	133.9	62%	0.62	78%	0.776	S	S	*	*			cis	97.9	104.1	29.2	-158.4	48.7	0	0	0	114.6
874	K	28.4	Very low	28.8	Very low	173 Å²	173	138.4 Å²	138.4	75%	0.752	78%	0.781	S	S	*	*			trans	82.3	154.4	154.3	-72.9	172.3	-171.9	76.6	0	123.6
875	A	27.2	Very low	28.5	Very low	86 Å²	86	141.2 Å²	141.2	71%	0.711	79%	0.789	S	S	*	*			trans	73.3	134.8	171.8	0	0	0	0	0	116.6
876	F	28	Very low	28.4	Very low	206 Å²	206	141.4 Å²	141.4	90%	0.904	79%	0.789	S	S	*	*			cis	-119.4	155.9	15.7	-108.7	-96.5	0	0	0	115.3
877	E	26.2	Very low	28.3	Very low	190 Å²	190	138 Å²	138	89%	0.888	79%	0.785	S	S	*	*			trans	-92.2	159.4	170.7	-57.8	163.6	120.9	0	0	111
878	G	26.7	Very low	28.2	Very low	73 Å²	73	138.3 Å²	138.3	75%	0.753	79%	0.794	S	S	*	*			trans	168.3	95.6	168.7	0	0	0	0	0	117
879	C	27.5	Very low	28	Very low	141 Å²	141	134.2 Å²	134.2	95%	0.953	79%	0.786	S	S	*	*			trans	75.9	110.1	166.2	-61.5	0	0	0	0	118.9
880	S	28.7	Very low	27.9	Very low	113 Å²	113	135 Å²	135	79%	0.79	80%	0.797	S	S	*	*			trans	-131.4	-168.1	165.7	55.6	0	0	0	0	107.7
881	P	39.6	Very low	27.8	Very low	106 Å²	106	134.3 Å²	134.3	69%	0.688	79%	0.794	S	S	*	*				-125.8	-168.6	-70.8	37.7	-21.4	0	0	0	110.9
882	E	27	Very low	27.7	Very low	193 Å²	193	136 Å²	136	90%	0.902	79%	0.787	S	S	*	*				164	127.1	126.3	-89.5	-178.5	-175.5	0	0	110.1
883	G	28.3	Very low	27.4	Very low	74 Å²	74	132 Å²	132	76%	0.763	77%	0.774	S	S	*	*			trans	-177.8	43.5	-168.4	0	0	0	0	0	114.8
884	Q	28.5	Very low	27.3	Very low	186 Å²	186	131 Å²	131	87%	0.869	78%	0.781	S	S	*	*			trans	11.4	112.6	168.1	-61.7	177.4	4.7	0	0	118.8
885	L	26	Very low	27.3	Very low	176 Å²	176	132.2 Å²	132.2	92%	0.921	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-70.4	137.7	157.3	-80.4	76.5	0	0	0	110
886	L	27	Very low	27.4	Very low	154 Å²	154	132.8 Å²	132.8	81%	0.806	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-100.1	150	161.1	-73.5	171	0	0	0	110
887	P	26.6	Very low	28.2	Very low	104 Å²	104	125.2 Å²	125.2	68%	0.675	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-74	158.7	179.9	32.2	-36.1	0	0	0	111.7	S889	P887-S889 PolarHBondContact O-N 2.78Å
888	P	24.8	Very low	29.7	Very low	130 Å²	130	122.9 Å²	122.9	84%	0.844	75%	0.753	S	S	*	*			trans	-67.3	102.2	168.4	29.1	-33.3	0	0	0	109.6	A890	P888-A890 PolarHBondContact O-N 3.24Å
889	S	26.5	Very low	31.3	Very low	99 Å²	99	121.5 Å²	121.5	69%	0.692	73%	0.73	S	S	*	*			trans	-63.1	121	172.3	50.5	0	0	0	0	110	P887 D891	P887-S889 PolarHBondContact O-N 2.78Å; S889-D891 PolarHBondContact O-N 3.37Å
890	A	25.5	Very low	33.1	Very low	104 Å²	104	118.7 Å²	118.7	86%	0.86	70%	0.701	S	S	*	*			trans	-78.6	61.9	-177.3	0	0	0	0	0	112.5	P888	P888-A890 PolarHBondContact O-N 3.24Å
891	D	24.2	Very low	35	Very low	121 Å²	121	118.3 Å²	118.3	65%	0.647	68%	0.683	S	S	*	*			trans	-135.2	96.8	175.3	-84.2	-56.1	0	0	0	109.8	S889 S893	S889-D891 PolarHBondContact O-N 3.37Å; D891-S893 PolarHBondContact O-N 2.55Å
892	K	28	Very low	36.1	Very low	144 Å²	144	113.5 Å²	113.5	63%	0.626	65%	0.652	S	S	*	*			trans	-78.1	52.9	155.4	-82.4	-152	-171.2	-176	0	109.3	N811 M814 A894	N811-K892 PolarHBondContact OD1-NZ 3.09Å; M814-K892 HydrophobicContact CE-CB 4.44Å; M814-K892 HydrophobicContact CE-CD 3.89Å; M814-K892 HydrophobicContact CE-CG 3.81Å; M814-K892 HydrophobicContact CG-CD 4.35Å; M814-K892 HydrophobicContact SD-CD 3.65Å; M814-K892 HydrophobicContact SD-CG 4.12Å; K892-A894 PolarHBondContact O-N 3.21Å
893	S	23.1	Very low	37.3	Very low	83 Å²	83	112.9 Å²	112.9	58%	0.58	65%	0.649	S	S	*	*			trans	-87.8	97.3	172.2	62.2	0	0	0	0	109.1	D891 Q895	D891-S893 PolarHBondContact O-N 2.55Å; S893-Q895 PolarHBondContact O-N 3.08Å
894	A	25.8	Very low	37.9	Very low	94 Å²	94	113.6 Å²	113.6	78%	0.777	64%	0.643	S	S	*	*			trans	17.8	90.7	168.5	0	0	0	0	0	116.4	K892 S896	K892-A894 PolarHBondContact O-N 3.21Å; A894-S896 PolarHBondContact O-N 3.47Å
895	Q	27.3	Very low	38.2	Very low	199 Å²	199	107 Å²	107	93%	0.93	62%	0.62	S	S	*	*			trans	-64.8	105.6	154.3	-77.9	-173.4	-16.1	0	0	107.2	S893	S893-Q895 PolarHBondContact O-N 3.08Å
896	S	30.4	Very low	38.5	Very low	98 Å²	98	108 Å²	108	69%	0.685	62%	0.62	S	S	*	*			trans	-56.5	142.1	173.9	53.5	0	0	0	0	110.2	A894	A894-S896 PolarHBondContact O-N 3.47Å
897	P	45.3	Very low	39	Very low	47 Å²	47	104.4 Å²	104.4	31%	0.305	61%	0.607	S	S	.	*			trans	-56.9	144.3	177.8	28.8	-39	0	0	0	110.8	D95 V899	D95-P897 HydrophobicContact CB-CG 3.89Å; P897-V899 PolarHBondContact O-N 3.38Å
898	L	56.5	Low	39.5	Very low	141 Å²	141	108.8 Å²	108.8	74%	0.738	62%	0.618	S	S	*	*			trans	-68.7	101	172.7	-76	166.2	0	0	0	109.1	F900	L898-F900 HydrophobicContact CB-CE2 4.03Å; L898-F900 HydrophobicContact CB-CZ 4.22Å; L898-F900 WeakPolarHBondContact O-CD2 3.41Å; L898-F900 VanDerWaalsContact O-CE2 3.27Å; L898-F900 WeakPolarHBondContact O-CE2 3.24Å; L898-F900 PolarHBondContact O-N 3.21Å
899	V	60.9	Low	40.5	Very low	45 Å²	45	109 Å²	109	27%	0.273	61%	0.612	S	S	.	*			trans	-71.5	111.9	171.9	-180	0	0	0	0	108.4	D401 K410 V411 P897 Y901	D401-V899 HydrophobicContact CB-CG1 4.27Å; K410-V899 WeakPolarHBondContact O-CA 3.34Å; V411-V899 HydrophobicContact CG2-CG1 4.46Å; V411-V899 HydrophobicContact CG2-CG2 4.26Å; P897-V899 PolarHBondContact O-N 3.38Å; V899-Y901 HydrophobicContact CB-CE2 4.1Å; V899-Y901 HydrophobicContact CG1-CD2 4.24Å; V899-Y901 HydrophobicContact CG1-CE1 4.08Å; V899-Y901 HydrophobicContact CG1-CE2 3.82Å; V899-Y901 PolarHBondContact O-N 3.27Å; V899-Y901 VanDerWaalsContact O-N 3.12Å
900	F	65.8	Low	41.6	Very low	81 Å²	81	110.2 Å²	110.2	36%	0.355	61%	0.611	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82	92.9	179.8	-69.6	-89.2	0	0	0	109.5	G409 K410 I480 L898 L902	G409-F900 WeakPolarHBondContact CA-O 3.1Å; K410-F900 HydrophobicContact CB-CB 4.38Å; K410-F900 PolarHBondContact N-O 2.87Å; K410-F900 PolarHBondContact O-N 3.32Å; I480-F900 HydrophobicContact CG2-CD1 3.94Å; I480-F900 HydrophobicContact CG2-CE1 3.76Å; I480-F900 HydrophobicContact CG2-CZ 4.25Å; L898-F900 HydrophobicContact CB-CE2 4.03Å; L898-F900 HydrophobicContact CB-CZ 4.22Å; L898-F900 WeakPolarHBondContact O-CD2 3.41Å; L898-F900 VanDerWaalsContact O-CE2 3.27Å; L898-F900 WeakPolarHBondContact O-CE2 3.24Å; L898-F900 PolarHBondContact O-N 3.21Å; F900-L902 PolarHBondContact O-N 2.94Å
901	Y	68.9	Low	43.3	Very low	105 Å²	105	107.3 Å²	107.3	41%	0.412	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-67.3	119.6	173.8	-72.5	-72.3	0	0	0	111.1	D401 Q407 V899 Q903	D401-Y901 PolarHBondContact OD2-OH 3.17Å; Q407-Y901 HydrophobicContact CB-CD1 4.33Å; Q407-Y901 VanDerWaalsContact O-CD1 3.26Å; Q407-Y901 WeakPolarHBondContact O-CD1 3.03Å; Q407-Y901 WeakPolarHBondContact O-CE1 3.34Å; V899-Y901 HydrophobicContact CB-CE2 4.1Å; V899-Y901 HydrophobicContact CG1-CD2 4.24Å; V899-Y901 HydrophobicContact CG1-CE1 4.08Å; V899-Y901 HydrophobicContact CG1-CE2 3.82Å; V899-Y901 PolarHBondContact O-N 3.27Å; V899-Y901 VanDerWaalsContact O-N 3.12Å; Y901-Q903 PolarHBondContact O-N 3Å
902	L	62.2	Low	45.1	Very low	6 Å²	6	107.4 Å²	107.4	3%	0.031	58%	0.577	C	S	.	*			trans	-80.5	109.1	176.2	-62.6	171.3	0	0	0	107.5	P330 M348 M349 W400 V408 F900 S904	P330-L902 HydrophobicContact CB-CD1 3.86Å; P330-L902 HydrophobicContact CG-CD1 4.02Å; M348-L902 HydrophobicContact CB-CD2 4Å; M348-L902 HydrophobicContact CE-CD1 4.16Å; M348-L902 HydrophobicContact SD-CD2 4.38Å; M349-L902 HydrophobicContact CE-CB 4.31Å; M349-L902 HydrophobicContact CE-CD1 3.88Å; M349-L902 HydrophobicContact CE-CD2 4.37Å; M349-L902 HydrophobicContact CE-CG 4.41Å; M349-L902 HydrophobicContact SD-CB 4.49Å; W400-L902 HydrophobicContact CH2-CD1 4.42Å; W400-L902 HydrophobicContact CZ3-CD1 3.79Å; V408-L902 PolarHBondContact O-N 3.46Å; F900-L902 PolarHBondContact O-N 2.94Å; L902-S904 PolarHBondContact O-N 3.14Å; L902-S904 VanDerWaalsContact O-N 3.15Å
903	Q	51.1	Low	47.2	Very low	179 Å²	179	106.6 Å²	106.6	84%	0.836	58%	0.576	S	S	*	*			trans	-60.4	120.2	173.4	179.9	173.7	-8.7	0	0	108	Y901 A905	Y901-Q903 PolarHBondContact O-N 3Å; Q903-A905 PolarHBondContact O-N 2.94Å
904	S	42.6	Very low	49.4	Very low	90 Å²	90	107.5 Å²	107.5	63%	0.629	58%	0.582	S	S	*	*			trans	-57.2	105.5	-179.4	-170.1	0	0	0	0	110.1	L902	L902-S904 PolarHBondContact O-N 3.14Å; L902-S904 VanDerWaalsContact O-N 3.15Å
905	A	33.1	Very low	52	Low	48 Å²	48	107.3 Å²	107.3	40%	0.397	57%	0.565	S	S	.	*			trans	-60.2	148.6	156.5	0	0	0	0	0	108.4	Q903 C907	Q903-A905 PolarHBondContact O-N 2.94Å; A905-C907 PolarHBondContact O-N 3.45Å
906	E	33.4	Very low	54.8	Low	196 Å²	196	98.3 Å²	98.3	92%	0.916	52%	0.523	S	S	*	.			trans	-73.2	82.4	158.6	-66.7	179.1	155.3	0	0	105.9	E908	E906-E908 PolarHBondContact O-N 3.13Å
907	C	36.4	Very low	57.5	Low	78 Å²	78	100.7 Å²	100.7	53%	0.527	52%	0.52	S	S	.	.			trans	-64.5	120.5	-176.2	-165.7	0	0	0	0	108.8	A905 D909 D910	A905-C907 PolarHBondContact O-N 3.45Å; C907-D909 CarbonylContact O-C 3.55Å; C907-D909 PolarHBondContact O-N 3.48Å; C907-D910 PolarHBondContact O-N 2.86Å
908	E	38	Very low	59.6	Low	197 Å²	197	100.2 Å²	100.2	92%	0.921	52%	0.517	S	S	*	.	S	Bend	trans	-64.6	-18.6	-162.6	-62.8	-168.4	120.9	0	0	114.4	E906 D910	E906-E908 PolarHBondContact O-N 3.13Å; E908-D910 PolarHBondContact O-N 2.94Å
909	D	45.9	Very low	61.2	Low	134 Å²	134	95.9 Å²	95.9	72%	0.717	49%	0.494	S	S	*	.			trans	-74.7	60.3	164.9	-73.5	-41.1	0	0	0	111.9	C907 V911	C907-D909 CarbonylContact O-C 3.55Å; C907-D909 PolarHBondContact O-N 3.48Å; D909-V911 PolarHBondContact O-N 3.16Å
910	D	49.1	Very low	62.2	Low	125 Å²	125	94.9 Å²	94.9	67%	0.668	49%	0.491	S	S	*	.			trans	-74.2	72.6	178.7	-164.1	27.6	0	0	0	110.5	C907 E908 K912	C907-D910 PolarHBondContact O-N 2.86Å; E908-D910 PolarHBondContact O-N 2.94Å; D910-K912 PolarHBondContact O-N 3.31Å
911	V	60.8	Low	62.8	Low	42 Å²	42	94.7 Å²	94.7	26%	0.255	49%	0.488	S	S	.	.			trans	-63	102.4	-179.8	-178.1	0	0	0	0	109.2	D909 F916	D909-V911 PolarHBondContact O-N 3.16Å; V911-F916 HydrophobicContact CG1-CE2 3.71Å; V911-F916 HydrophobicContact CG1-CZ 4.01Å
912	K	63	Low	62.9	Low	123 Å²	123	92.6 Å²	92.6	54%	0.535	49%	0.489	S	S	.	.			trans	-66.5	137.5	-171.3	-71.7	149.6	-167.6	143.6	0	110.8	D910 S914 E915	D910-K912 PolarHBondContact O-N 3.31Å; K912-S914 WeakPolarHBondContact CB-OG 3.34Å; K912-S914 PolarHBondContact O-N 3.46Å; K912-E915 HydrophobicContact CB-CG 4.48Å; K912-E915 WeakPolarHBondContact O-CB 3.47Å; K912-E915 PolarHBondContact O-N 3.19Å
913	E	71.2	Confident	62.9	Low	128 Å²	128	95.7 Å²	95.7	60%	0.598	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-46.5	-35.8	174.7	-167.9	-167.7	157	0	0	112.5	Y325 E915 F916	Y325-E913 HydrophobicContact CD1-CG 4.49Å; E913-E915 PolarHBondContact O-N 3.46Å; E913-E915 VanDerWaalsContact O-N 3.1Å; E913-F916 PolarHBondContact O-N 2.83Å; E913-F916 VanDerWaalsContact O-N 3.14Å
914	S	70.3	Confident	63.3	Low	102 Å²	102	91.9 Å²	91.9	71%	0.713	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-58.8	-17.7	176.4	53.8	0	0	0	0	116	K912	K912-S914 WeakPolarHBondContact CB-OG 3.34Å; K912-S914 PolarHBondContact O-N 3.46Å
915	E	79.8	Confident	64.1	Low	90 Å²	90	93.4 Å²	93.4	42%	0.421	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-83.4	-20	179.7	-62.5	177.2	-154.7	0	0	112.3	K912 E913 K917	K912-E915 HydrophobicContact CB-CG 4.48Å; K912-E915 WeakPolarHBondContact O-CB 3.47Å; K912-E915 PolarHBondContact O-N 3.19Å; E913-E915 PolarHBondContact O-N 3.46Å; E913-E915 VanDerWaalsContact O-N 3.1Å; E915-K917 VanDerWaalsContact C-N 3.31Å; E915-K917 PolarHBondContact O-N 3.16Å
916	F	86.3	Confident	65.1	Low	10 Å²	10	96.8 Å²	96.8	4%	0.044	50%	0.495	C	S	.	.			trans	-84.9	66.6	178.8	-64.8	-88.8	0	0	0	111.8	V289 R316 F318 Y325 V911 E913 V918	V289-F916 HydrophobicContact CG2-CB 4.12Å; R316-F916 VanDerWaalsContact NH1-CE1 3.31Å; F318-F916 AromaticContact CE1-CD1 3.76Å; F318-F916 HydrophobicContact CE1-CD1 3.76Å; F318-F916 HydrophobicContact CE1-CE1 4.08Å; F318-F916 HydrophobicContact CE1-CG 4.5Å; F318-F916 AromaticContact CZ-CD1 3.97Å; F318-F916 HydrophobicContact CZ-CD1 3.97Å; F318-F916 AromaticContact CZ-CE1 3.87Å; F318-F916 HydrophobicContact CZ-CE1 3.87Å; Y325-F916 AromaticContact CD1-CD2 3.82Å; Y325-F916 HydrophobicContact CD1-CD2 3.82Å; Y325-F916 AromaticContact CD1-CE2 3.52Å; Y325-F916 HydrophobicContact CD1-CE2 3.52Å; Y325-F916 HydrophobicContact CD1-CZ 4.21Å; Y325-F916 HydrophobicContact CD2-CD1 4.37Å; Y325-F916 HydrophobicContact CD2-CD2 4.13Å; Y325-F916 AromaticContact CD2-CE1 3.81Å; Y325-F916 HydrophobicContact CD2-CE1 3.81Å; Y325-F916 AromaticContact CD2-CE2 3.54Å; Y325-F916 HydrophobicContact CD2-CE2 3.54Å; Y325-F916 HydrophobicContact CD2-CG 4.48Å; Y325-F916 AromaticContact CD2-CZ 3.32Å; Y325-F916 HydrophobicContact CD2-CZ 3.32Å; Y325-F916 HydrophobicContact CE1-CD2 4.47Å; Y325-F916 AromaticContact CE1-CE2 3.76Å; Y325-F916 HydrophobicContact CE1-CE2 3.76Å; Y325-F916 HydrophobicContact CE1-CZ 4.33Å; Y325-F916 HydrophobicContact CE2-CE1 4.3Å; Y325-F916 AromaticContact CE2-CE2 3.78Å; Y325-F916 HydrophobicContact CE2-CE2 3.78Å; Y325-F916 AromaticContact CE2-CZ 3.48Å; Y325-F916 HydrophobicContact CE2-CZ 3.48Å; Y325-F916 VanDerWaalsContact CE2-CZ 3.48Å; Y325-F916 HydrophobicContact CG-CD1 4.41Å; Y325-F916 AromaticContact CG-CD2 3.6Å; Y325-F916 HydrophobicContact CG-CD2 3.6Å; Y325-F916 HydrophobicContact CG-CE1 4.23Å; Y325-F916 AromaticContact CG-CE2 3.38Å; Y325-F916 HydrophobicContact CG-CE2 3.38Å; Y325-F916 HydrophobicContact CG-CG 4.09Å; Y325-F916 AromaticContact CG-CZ 3.69Å; Y325-F916 HydrophobicContact CG-CZ 3.69Å; Y325-F916 AromaticContact CZ-CE2 3.86Å; Y325-F916 AromaticContact CZ-CZ 3.97Å; V911-F916 HydrophobicContact CG1-CE2 3.71Å; V911-F916 HydrophobicContact CG1-CZ 4.01Å; E913-F916 PolarHBondContact O-N 2.83Å; E913-F916 VanDerWaalsContact O-N 3.14Å; F916-V918 PolarHBondContact O-N 3.23Å
917	K	88	Confident	65.8	Low	147 Å²	147	93.7 Å²	93.7	64%	0.639	48%	0.482	S	S	*	.			trans	-67.3	104.1	178.4	-174.1	-179.8	176.5	-177.3	0	111.8	E915 N919	E915-K917 VanDerWaalsContact C-N 3.31Å; E915-K917 PolarHBondContact O-N 3.16Å; K917-N919 PolarHBondContact O-N 3Å; K917-N919 PolarHBondContact O-ND2 2.94Å; K917-N919 VanDerWaalsContact O-ND2 3.15Å
918	V	88.9	Confident	66.1	Low	38 Å²	38	93 Å²	93	23%	0.23	49%	0.487	C	S	.	.			trans	-65.7	121.9	166.1	-174.8	0	0	0	0	109.2	K287 V289 L323 F916	K287-V918 HydrophobicContact CB-CG1 4.32Å; K287-V918 HydrophobicContact CD-CG1 4.26Å; V289-V918 HydrophobicContact CB-CG2 4.38Å; V289-V918 HydrophobicContact CG2-CG2 4.35Å; L323-V918 HydrophobicContact CB-CG1 4.21Å; L323-V918 HydrophobicContact CB-CG2 4.05Å; L323-V918 VanDerWaalsContact O-CG2 3.28Å; L323-V918 WeakPolarHBondContact O-CG2 3.19Å; F916-V918 PolarHBondContact O-N 3.23Å
919	N	88.7	Confident	66.3	Low	50 Å²	50	87.8 Å²	87.8	27%	0.267	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	132.5	175.5	-62.5	-73.8	0	0	0	109.5	K287 W288 K917	K287-N919 CarbonylContact C-O 3.56Å; K287-N919 VanDerWaalsContact CA-O 3.23Å; K287-N919 WeakPolarHBondContact CA-O 3.35Å; W288-N919 HydrophobicContact CD2-CB 4.16Å; W288-N919 HydrophobicContact CG-CB 4.46Å; W288-N919 HydrophobicContact CZ2-CB 3.87Å; W288-N919 PolarHBondContact N-O 2.84Å; W288-N919 PolarHBondContact O-N 2.99Å; K917-N919 PolarHBondContact O-N 3Å; K917-N919 PolarHBondContact O-ND2 2.94Å; K917-N919 VanDerWaalsContact O-ND2 3.15Å
920	A	83.5	Confident	66	Low	24 Å²	24	88.8 Å²	88.8	20%	0.198	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	137.6	178.6	0	0	0	0	0	111.7	S922 D923	A920-S922 PolarHBondContact O-N 3.12Å; A920-D923 PolarHBondContact O-N 3.46Å
921	R	77	Confident	65.3	Low	77 Å²	77	88.3 Å²	88.3	29%	0.291	48%	0.475	S	S	.	.	H	α-helix	trans	-59.2	-28.7	179.9	-177.6	172.4	-174.9	144.7	8.1	113.5	L285 E286 W288 D923 L925	L285-R921 WeakPolarHBondContact O-CD 3.31Å; L285-R921 PolarHBondContact O-NH1 2.78Å; E286-R921 WeakPolarHBondContact O-CB 3.45Å; E286-R921 PolarHBondContact O-N 3.17Å; W288-R921 HydrophobicContact CZ3-CB 4.41Å; R921-D923 PolarHBondContact O-N 2.89Å; R921-L925 HydrophobicContact CG-CD1 4.38Å; R921-L925 WeakPolarHBondContact O-CG 3.35Å; R921-L925 PolarHBondContact O-N 3.47Å
922	S	70.9	Confident	63.8	Low	61 Å²	61	93.8 Å²	93.8	43%	0.427	50%	0.502	S	S	.	.	H	α-helix	trans	-57.3	-32.2	174.1	50.3	0	0	0	0	112.9	A920 K926	A920-S922 PolarHBondContact O-N 3.12Å; S922-K926 WeakPolarHBondContact O-CG 3.25Å; S922-K926 PolarHBondContact O-N 3.27Å
923	D	62.6	Low	62.2	Low	70 Å²	70	95.3 Å²	95.3	37%	0.374	52%	0.516	S	S	.	.	H	α-helix	trans	-95.7	-31.5	-166.7	-55.1	-28.5	0	0	0	111.1	A920 R921 L925 K926 M927	A920-D923 PolarHBondContact O-N 3.46Å; R921-D923 PolarHBondContact O-N 2.89Å; D923-L925 VanDerWaalsContact C-N 3.25Å; D923-L925 PolarHBondContact O-N 3.36Å; D923-K926 PolarHBondContact O-N 2.84Å; D923-K926 WeakPolarHBondContact OD1-CE 3.31Å; D923-K926 IonicContact OD1-NZ 3.78Å; D923-K926 PolarHBondContact OD1-NZ 3.05Å; D923-M927 WeakPolarHBondContact O-CG 3.29Å; D923-M927 PolarHBondContact O-N 3.39Å
924	M	59.1	Low	60.3	Low	99 Å²	99	95.2 Å²	95.2	49%	0.488	52%	0.524	S	S	.	.	H	α-helix	trans	-57.8	-39	162.2	-69.6	-175.9	73.5	0	0	112	W288 K926 M927 G928	W288-M924 HydrophobicContact CH2-SD 3.6Å; W288-M924 VanDerWaalsContact CH2-SD 3.6Å; W288-M924 HydrophobicContact CZ2-SD 3.72Å; M924-K926 VanDerWaalsContact C-N 3.33Å; M924-K926 PolarHBondContact O-N 2.96Å; M924-M927 PolarHBondContact O-N 2.91Å; M924-G928 PolarHBondContact O-N 3.11Å
925	L	59.8	Low	58.6	Low	123 Å²	123	96.9 Å²	96.9	64%	0.644	53%	0.53	S	S	*	.	H	α-helix	trans	-68.3	-29.7	176.7	-71.8	170.4	0	0	0	113	R921 D923	R921-L925 HydrophobicContact CG-CD1 4.38Å; R921-L925 WeakPolarHBondContact O-CG 3.35Å; R921-L925 PolarHBondContact O-N 3.47Å; D923-L925 VanDerWaalsContact C-N 3.25Å; D923-L925 PolarHBondContact O-N 3.36Å
926	K	54.6	Low	56.4	Low	119 Å²	119	98 Å²	98	52%	0.517	55%	0.545	S	S	.	.	H	α-helix	trans	-72	-49.3	171.2	-66.5	165.3	-166.1	163.2	0	110.9	S922 D923 M924 G928 S929 Q930	S922-K926 WeakPolarHBondContact O-CG 3.25Å; S922-K926 PolarHBondContact O-N 3.27Å; D923-K926 PolarHBondContact O-N 2.84Å; D923-K926 WeakPolarHBondContact OD1-CE 3.31Å; D923-K926 IonicContact OD1-NZ 3.78Å; D923-K926 PolarHBondContact OD1-NZ 3.05Å; M924-K926 VanDerWaalsContact C-N 3.33Å; M924-K926 PolarHBondContact O-N 2.96Å; K926-G928 VanDerWaalsContact C-N 3.32Å; K926-G928 PolarHBondContact O-N 3.15Å; K926-S929 WeakPolarHBondContact O-CA 3.39Å; K926-S929 PolarHBondContact O-N 3.03Å; K926-S929 PolarHBondContact O-OG 3.12Å; K926-Q930 PolarHBondContact O-N 2.95Å
927	M	47.3	Very low	53.7	Low	131 Å²	131	106.1 Å²	106.1	65%	0.645	59%	0.588	S	S	*	*	H	α-helix	trans	-56.5	-45.5	179.2	-68	-78	-76.5	0	0	111.4	D923 M924 S929 Q930 T931	D923-M927 WeakPolarHBondContact O-CG 3.29Å; D923-M927 PolarHBondContact O-N 3.39Å; M924-M927 PolarHBondContact O-N 2.91Å; M927-S929 PolarHBondContact O-N 2.95Å; M927-S929 VanDerWaalsContact O-N 3.12Å; M927-Q930 PolarHBondContact O-N 3.43Å; M927-Q930 VanDerWaalsContact O-N 3.07Å; M927-T931 PolarHBondContact O-OG1 3.33Å
928	G	44.4	Very low	51.4	Low	62 Å²	62	103.5 Å²	103.5	64%	0.639	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-3.1	175.4	0	0	0	0	0	115.6	M924 K926	M924-G928 PolarHBondContact O-N 3.11Å; K926-G928 VanDerWaalsContact C-N 3.32Å; K926-G928 PolarHBondContact O-N 3.15Å
929	S	42.3	Very low	48.8	Very low	89 Å²	89	110.1 Å²	110.1	62%	0.622	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	-4.1	171.2	72.6	0	0	0	0	113.8	K926 M927	K926-S929 WeakPolarHBondContact O-CA 3.39Å; K926-S929 PolarHBondContact O-N 3.03Å; K926-S929 PolarHBondContact O-OG 3.12Å; M927-S929 PolarHBondContact O-N 2.95Å; M927-S929 VanDerWaalsContact O-N 3.12Å
930	Q	39	Very low	46.3	Very low	155 Å²	155	111 Å²	111	72%	0.724	65%	0.649	S	S	*	*	S	Bend	trans	-113.2	5.3	-176.5	-70.3	-175.4	-27.9	0	0	113.4	K926 M927	K926-Q930 PolarHBondContact O-N 2.95Å; M927-Q930 PolarHBondContact O-N 3.43Å; M927-Q930 VanDerWaalsContact O-N 3.07Å
931	T	33	Very low	43.9	Very low	115 Å²	115	114.6 Å²	114.6	71%	0.706	67%	0.673	S	S	*	*	S	Bend	trans	-110.3	42.7	179.3	43.4	0	0	0	0	112.5	M927	M927-T931 PolarHBondContact O-OG1 3.33Å
932	L	30.5	Very low	42	Very low	157 Å²	157	118 Å²	118	82%	0.822	70%	0.697	S	S	*	*	S	Bend	trans	-150.3	37	179.9	-119.8	175.2	0	0	0	114.1
933	D	30.1	Very low	40.3	Very low	155 Å²	155	123.5 Å²	123.5	83%	0.829	72%	0.716	S	S	*	*	S	Bend	trans	-150	149.2	171.9	-108.5	-41.3	0	0	0	112.5
934	T	31.1	Very low	38.8	Very low	126 Å²	126	127 Å²	127	77%	0.773	73%	0.73	S	S	*	*			trans	65.1	87.6	170.8	-36.7	0	0	0	0	118.5
935	V	33.2	Very low	37.7	Very low	137 Å²	137	130.2 Å²	130.2	83%	0.83	74%	0.743	S	S	*	*			trans	-123.4	122.4	144.9	178.8	0	0	0	0	107.3
936	P	35.3	Very low	36.3	Very low	114 Å²	114	132.1 Å²	132.1	74%	0.74	75%	0.749	S	S	*	*			trans	-76.4	136.9	180	30.5	-33.4	0	0	0	111.5
937	L	29.4	Very low	35	Very low	179 Å²	179	131.1 Å²	131.1	94%	0.937	76%	0.757	S	S	*	*			trans	-74.1	150.5	170.7	-76	149.4	0	0	0	110.8
938	A	39.1	Very low	34.1	Very low	93 Å²	93	129.8 Å²	129.8	77%	0.769	76%	0.76	S	S	*	*			trans	-130.3	147	165.9	0	0	0	0	0	108.9
939	D	33.4	Very low	33.4	Very low	176 Å²	176	136.9 Å²	136.9	94%	0.941	77%	0.768	S	S	*	*			trans	-69.7	153.7	-158	-52.8	-69.9	0	0	0	115.9
940	G	36.5	Very low	32.8	Very low	69 Å²	69	139.9 Å²	139.9	71%	0.711	77%	0.772	S	S	*	*			trans	167.6	79.4	173.2	0	0	0	0	0	116.6
941	S	33.5	Very low	32.2	Very low	100 Å²	100	140.9 Å²	140.9	70%	0.699	78%	0.779	S	S	*	*			trans	-2.2	143.5	135.4	45.7	0	0	0	0	118.7
942	D	36	Very low	32.1	Very low	148 Å²	148	139 Å²	139	79%	0.791	78%	0.783	S	S	*	*			cis	-162	170.3	7.5	-93.7	-29	0	0	0	112.3
943	E	35.4	Very low	32.1	Very low	176 Å²	176	135.1 Å²	135.1	82%	0.822	78%	0.781	S	S	*	*			trans	56.5	116.2	162.7	-70.6	-179.4	-170.7	0	0	119.1
944	E	31.1	Very low	32.2	Very low	145 Å²	145	136.7 Å²	136.7	68%	0.678	78%	0.783	S	S	*	*				66.2	124.9	74.5	-67.8	-116.1	81.4	0	0	112.7
945	H	36.1	Very low	32.2	Very low	165 Å²	165	139.6 Å²	139.6	76%	0.764	79%	0.785	S	S	*	*			cis	-156.3	-171	46.8	-112.9	-12.6	0	0	0	113.7
946	Q	30.3	Very low	32.1	Very low	163 Å²	163	142.2 Å²	142.2	76%	0.762	79%	0.79	S	S	*	*			trans	-109.2	167.9	-163.8	-53.6	178.4	6.2	0	0	116.4
947	S	28.5	Very low	31.9	Very low	99 Å²	99	145.9 Å²	145.9	69%	0.692	80%	0.795	S	S	*	*			trans	96.7	90.7	136.5	77.9	0	0	0	0	122.6
948	S	28.7	Very low	32.1	Very low	102 Å²	102	145.1 Å²	145.1	71%	0.713	79%	0.791	S	S	*	*				77.4	151.8	114.2	84	0	0	0	0	123.4
949	R	28.9	Very low	31.6	Very low	212 Å²	212	144.2 Å²	144.2	80%	0.8	79%	0.791	S	S	*	*			trans	81.7	113.4	154.8	-67.8	-174.2	-179.3	-168.9	2.1	121.6
950	Q	29.8	Very low	31.4	Very low	152 Å²	152	144.3 Å²	144.3	71%	0.71	79%	0.786	S	S	*	*				82	123.7	125.4	-74.5	-174.2	-93	0	0	122.5
951	M	26.5	Very low	30.9	Very low	175 Å²	175	146.9 Å²	146.9	86%	0.862	79%	0.788	S	S	*	*			trans	73.3	123.1	132.9	-62.7	-78	-74.1	0	0	120.7
952	G	31.3	Very low	30.6	Very low	77 Å²	77	147.2 Å²	147.2	79%	0.794	79%	0.79	S	S	*	*			trans	133.3	100	135.5	0	0	0	0	0	117.7
953	G	30.9	Very low	30.2	Very low	75 Å²	75	144.7 Å²	144.7	77%	0.773	78%	0.784	S	S	*	*			trans	68.8	170.2	163.1	0	0	0	0	0	116.5
954	E	31.9	Very low	30	Very low	187 Å²	187	141.7 Å²	141.7	87%	0.874	78%	0.783	S	S	*	*			cis	-146.6	-179.2	-28.3	-136.3	-171.6	144.7	0	0	110.3
955	K	29.5	Very low	29.8	Very low	187 Å²	187	142.9 Å²	142.9	81%	0.813	79%	0.788	S	S	*	*			trans	-76.9	141.9	-168.7	-55.9	162.3	-172.9	154.7	0	112.8
956	M	32.5	Very low	29.5	Very low	193 Å²	193	144.2 Å²	144.2	95%	0.951	79%	0.792	S	S	*	*				-152.6	175.9	123.3	-111	175.6	-165.5	0	0	111.4
957	K	30.9	Very low	29.4	Very low	191 Å²	191	143.4 Å²	143.4	83%	0.83	79%	0.792	S	S	*	*			trans	-109.8	168	-168.5	-80.4	-174.1	170.8	-174.4	0	112.4
958	N	33.6	Very low	29.3	Very low	162 Å²	162	143.8 Å²	143.8	87%	0.866	79%	0.787	S	S	*	*			trans	80.6	143	171.3	-50.3	-8.6	0	0	0	113.6
959	G	27.9	Very low	29.4	Very low	75 Å²	75	145.6 Å²	145.6	77%	0.773	79%	0.793	S	S	*	*			cis	170.8	27.4	-5.1	0	0	0	0	0	116.6
960	E	29	Very low	29.3	Very low	178 Å²	178	145.3 Å²	145.3	83%	0.832	79%	0.792	S	S	*	*			trans	-133.8	146.7	-168.1	-63	-173.3	130.3	0	0	113.5
961	T	26.9	Very low	29.4	Very low	123 Å²	123	146.6 Å²	146.6	76%	0.755	80%	0.802	S	S	*	*			trans	32.7	166.3	143.6	71	0	0	0	0	123.6
962	S	27.6	Very low	29.4	Very low	106 Å²	106	140.8 Å²	140.8	74%	0.741	79%	0.788	S	S	*	*			trans	75.5	119.9	170.5	-50.2	0	0	0	0	115.4
963	S	26.7	Very low	29.2	Very low	95 Å²	95	145.2 Å²	145.2	66%	0.664	79%	0.793	S	S	*	*			cis	100.7	130.6	33.6	77.3	0	0	0	0	113.8
964	S	31.6	Very low	29.2	Very low	113 Å²	113	146.7 Å²	146.7	79%	0.79	79%	0.792	S	S	*	*			trans	-174	91.4	163.4	2.7	0	0	0	0	106.3
965	H	27.2	Very low	28.9	Very low	171 Å²	171	145.2 Å²	145.2	79%	0.792	79%	0.787	S	S	*	*				59.2	112.4	92.4	-78.6	-77.7	0	0	0	114.6
966	F	28.9	Very low	28.8	Very low	192 Å²	192	143.9 Å²	143.9	84%	0.842	78%	0.783	S	S	*	*				-151.8	116.9	124.6	-135.6	-110.1	0	0	0	112.1
967	L	29	Very low	28.5	Very low	147 Å²	147	141.2 Å²	141.2	77%	0.77	78%	0.778	S	S	*	*			trans	53.4	120.6	165.6	-80.5	159.4	0	0	0	122.3
968	D	25.3	Very low	28.3	Very low	107 Å²	107	138.5 Å²	138.5	57%	0.572	78%	0.778	S	S	*	*			trans	-94.2	146.7	163.3	166	31.3	0	0	0	109.3	R970	D968-R970 WeakPolarHBondContact OD2-CG 3.39Å; D968-R970 IonicContact OD2-NE 2.95Å; D968-R970 PolarHBondContact OD2-NE 2.95Å
969	V	32.5	Very low	27.8	Very low	140 Å²	140	141.7 Å²	141.7	85%	0.848	78%	0.777	S	S	*	*			trans	-135.9	103.7	164.4	179.1	0	0	0	0	108.3
970	R	25.6	Very low	27.9	Very low	206 Å²	206	144.7 Å²	144.7	78%	0.777	79%	0.785	S	S	*	*			trans	-74.4	142.7	-177.4	-57.4	173.6	-179.1	-176.9	-6.8	112.7	D968	D968-R970 WeakPolarHBondContact OD2-CG 3.39Å; D968-R970 IonicContact OD2-NE 2.95Å; D968-R970 PolarHBondContact OD2-NE 2.95Å
971	L	32.7	Very low	27.7	Very low	178 Å²	178	141.5 Å²	141.5	93%	0.932	78%	0.778	S	S	*	*			trans	-138	107.5	138.3	-89	174.3	0	0	0	108.6
972	G	27	Very low	27.6	Very low	54 Å²	54	145.5 Å²	145.5	56%	0.557	78%	0.779	S	S	*	*			trans	-91.4	-170.3	151.2	0	0	0	0	0	109.4
973	D	26.1	Very low	27.6	Very low	170 Å²	170	148 Å²	148	91%	0.909	78%	0.784	S	S	*	*			cis	-150.8	146.2	-1.2	-78.8	-56.2	0	0	0	108.8
974	S	30.3	Very low	27.6	Very low	105 Å²	105	148.1 Å²	148.1	73%	0.734	78%	0.777	S	S	*	*			trans	-174.6	121.9	151.3	-166.3	0	0	0	0	106.2
975	M	25.8	Very low	27.5	Very low	156 Å²	156	148.7 Å²	148.7	77%	0.768	78%	0.775	S	S	*	*				55.9	129.3	66	-68.2	174.8	152	0	0	112.2
976	E	27.1	Very low	27.5	Very low	160 Å²	160	147.4 Å²	147.4	75%	0.748	77%	0.773	S	S	*	*			cis	-152.9	166.9	13.8	-139.3	162.9	-150.7	0	0	113.6
977	T	26.2	Very low	27.5	Very low	136 Å²	136	145 Å²	145	83%	0.834	77%	0.769	S	S	*	*			trans	-79.1	130.2	174.2	51.8	0	0	0	0	111.5
978	T	28.4	Very low	27.6	Very low	134 Å²	134	142.9 Å²	142.9	82%	0.822	76%	0.764	S	S	*	*			trans	-124	102.2	168.4	-34.3	0	0	0	0	111.3
979	R	23	Very low	27.8	Very low	229 Å²	229	143.9 Å²	143.9	86%	0.864	78%	0.778	S	S	*	*			trans	-67	130.4	156.9	-74.6	174.2	166.9	155	-6	107.9	T981	R979-T981 HydrophobicContact CB-CG2 4.25Å
980	C	28.8	Very low	27.5	Very low	138 Å²	138	146.1 Å²	146.1	93%	0.932	78%	0.779	S	S	*	*			trans	-106.8	110.8	158.8	-145.3	0	0	0	0	107.9
981	T	25.3	Very low	27.8	Very low	111 Å²	111	142.5 Å²	142.5	68%	0.681	79%	0.786	S	S	*	*			trans	-105.4	130.4	-173.4	49.4	0	0	0	0	112.3	R979	R979-T981 HydrophobicContact CB-CG2 4.25Å
982	R	25	Very low	27.5	Very low	207 Å²	207	140 Å²	140	78%	0.781	78%	0.783	S	S	*	*			trans	71	121.4	138.8	-174.7	-176.3	-169.5	158.4	7.3	118.4	D984	R982-D984 IonicContact CZ-OD1 2.84Å; R982-D984 IonicContact NE-OD1 3.3Å; R982-D984 PolarHBondContact NE-OD1 3.14Å; R982-D984 IonicContact NH2-OD1 3.31Å; R982-D984 PolarHBondContact NH2-OD1 3.27Å
983	L	27.2	Very low	27.6	Very low	160 Å²	160	140.9 Å²	140.9	84%	0.838	79%	0.792	S	S	*	*				-147.6	109.7	124.1	-103.4	162.2	0	0	0	108.5
984	D	26.3	Very low	27.6	Very low	97 Å²	97	140.3 Å²	140.3	52%	0.519	79%	0.789	S	S	.	*			trans	12.5	144	153.2	-42.7	-32.1	0	0	0	119.1	R982	R982-D984 IonicContact CZ-OD1 2.84Å; R982-D984 IonicContact NE-OD1 3.3Å; R982-D984 PolarHBondContact NE-OD1 3.14Å; R982-D984 IonicContact NH2-OD1 3.31Å; R982-D984 PolarHBondContact NH2-OD1 3.27Å
985	V	29.4	Very low	27.3	Very low	125 Å²	125	140.2 Å²	140.2	76%	0.758	80%	0.795	S	S	*	*				-155.7	143.2	56.9	165.5	0	0	0	0	112.6
986	L	27.4	Very low	27.4	Very low	144 Å²	144	137.9 Å²	137.9	75%	0.754	80%	0.8	S	S	*	*			trans	12.4	145.8	150.5	-51.9	175	0	0	0	120.8
987	D	29.4	Very low	27.3	Very low	140 Å²	140	138.8 Å²	138.8	75%	0.749	81%	0.806	S	S	*	*			cis	-153.6	155.7	15.8	-113.6	-31.1	0	0	0	113.1
988	P	31.7	Very low	27.4	Very low	104 Å²	104	139.4 Å²	139.4	68%	0.675	81%	0.81	S	S	*	*			trans	-122.9	146.5	178.2	39.6	-27.6	0	0	0	116.5
989	C	29.5	Very low	27.1	Very low	128 Å²	128	140.3 Å²	140.3	87%	0.865	81%	0.81	S	S	*	*			trans	-148	113.8	157.2	-83.5	0	0	0	0	108
990	Q	26	Very low	27.4	Very low	186 Å²	186	134 Å²	134	87%	0.869	81%	0.806	S	S	*	*				59.8	97.7	64	-65.1	-158.1	11.3	0	0	115.7
991	S	31.8	Very low	27	Very low	130 Å²	130	133.1 Å²	133.1	91%	0.909	80%	0.802	S	S	*	*				-160.7	155.1	117.9	50.5	0	0	0	0	110.9
992	S	26.3	Very low	27.2	Very low	126 Å²	126	133 Å²	133	88%	0.881	80%	0.803	S	S	*	*			trans	-125.1	141.1	-175.9	54.6	0	0	0	0	110.7
993	G	28.3	Very low	27.1	Very low	72 Å²	72	132.2 Å²	132.2	74%	0.742	81%	0.806	S	S	*	*			trans	-161.4	95.6	179.7	0	0	0	0	0	115.5
994	D	25.7	Very low	26.8	Very low	159 Å²	159	131.3 Å²	131.3	85%	0.85	80%	0.801	S	S	*	*			trans	36.2	106.9	145.1	-57.5	-26.7	0	0	0	122.6
995	A	25.5	Very low	26.7	Very low	103 Å²	103	137 Å²	137	85%	0.851	82%	0.815	S	S	*	*				40.5	124.8	120.5	0	0	0	0	0	122.6
996	A	27.6	Very low	26.4	Very low	106 Å²	106	137.3 Å²	137.3	88%	0.876	81%	0.813	S	S	*	*				-167	150.7	117.4	0	0	0	0	0	112.8
997	M	23.8	Very low	26.2	Very low	179 Å²	179	132.2 Å²	132.2	88%	0.882	79%	0.792	S	S	*	*			trans	-91.2	151.3	175.7	-64.2	173.1	168.7	0	0	113
998	V	28.8	Very low	26.1	Very low	149 Å²	149	129.2 Å²	129.2	90%	0.903	78%	0.779	S	S	*	*			trans	-143.9	134.1	140.8	-174	0	0	0	0	109.9
999	D	23.1	Very low	25.9	Very low	154 Å²	154	127.2 Å²	127.2	82%	0.824	76%	0.763	S	S	*	*			trans	-70.9	145.5	179.6	-72.5	-74.2	0	0	0	115.4
1000	A	27.8	Very low	26	Very low	96 Å²	96	126.2 Å²	126.2	79%	0.793	74%	0.741	S	S	*	*			trans	-155.6	74.6	160.1	0	0	0	0	0	113.9
1001	S	21.7	Very low	26	Very low	119 Å²	119	122.6 Å²	122.6	83%	0.832	72%	0.723	S	S	*	*			trans	-64.7	145.7	171.7	71.2	0	0	0	0	112.8
1002	P	28.2	Very low	25.9	Very low	110 Å²	110	116.8 Å²	116.8	71%	0.714	68%	0.683	S	S	*	*				-147.7	136.9	122.3	33.3	-15.9	0	0	0	116.8
1003	F	22.7	Very low	26	Very low	190 Å²	190	116 Å²	116	83%	0.833	67%	0.669	S	S	*	*			trans	53.9	88.3	146.9	-76	-86.6	0	0	0	120.8	R1005	F1003-R1005 PolarHBondContact O-N 2.95Å
1004	N	21.6	Very low	26.3	Very low	140 Å²	140	112.7 Å²	112.7	75%	0.749	63%	0.634	S	S	*	*			trans	-24.1	118.8	144.1	176.7	-1.2	0	0	0	114.4
1005	R	23.7	Very low	26.4	Very low	216 Å²	216	107 Å²	107	82%	0.815	61%	0.606	S	S	*	*			trans	-147	79.3	163.5	-77.6	-167.3	173.2	-174.3	-1.4	110.7	F1003 A1007	F1003-R1005 PolarHBondContact O-N 2.95Å; R1005-A1007 PolarHBondContact O-N 2.87Å; R1005-A1007 VanDerWaalsContact O-N 3.09Å
1006	N	22.7	Very low	26.5	Very low	132 Å²	132	109.1 Å²	109.1	71%	0.706	59%	0.592	S	S	*	*			trans	-65.6	108.3	157.6	-75	39.9	0	0	0	107.9	H173	H173-N1006 PolarHBondContact CE1-O 2.98Å
1007	A	25	Very low	26.8	Very low	38 Å²	38	106.9 Å²	106.9	31%	0.314	56%	0.563	S	S	.	*			trans	-164.2	108.4	175.3	0	0	0	0	0	107.8	H173 R1005 N1009	H173-A1007 VanDerWaalsContact NE2-CA 3.28Å; H173-A1007 WeakPolarHBondContact NE2-CA 3.36Å; H173-A1007 WeakPolarHBondContact NE2-CB 3.41Å; R1005-A1007 PolarHBondContact O-N 2.87Å; R1005-A1007 VanDerWaalsContact O-N 3.09Å; A1007-N1009 VanDerWaalsContact C-N 3.34Å; A1007-N1009 PolarHBondContact O-N 2.89Å
1008	T	26.4	Very low	27.4	Very low	77 Å²	77	100.4 Å²	100.4	47%	0.472	53%	0.532	S	S	.	.			trans	-65.5	92.6	-178.5	48.3	0	0	0	0	110.4
1009	N	27.6	Very low	27.5	Very low	62 Å²	62	98.7 Å²	98.7	33%	0.332	52%	0.517	S	S	.	.			trans	-127.1	119	171.2	-90.5	-100.5	0	0	0	106.5	A1007 Q1011	A1007-N1009 VanDerWaalsContact C-N 3.34Å; A1007-N1009 PolarHBondContact O-N 2.89Å; N1009-Q1011 HydrophobicContact CB-CB 4.41Å; N1009-Q1011 HydrophobicContact CB-CG 4.17Å; N1009-Q1011 PolarHBondContact O-N 3.45Å
1010	R	31.7	Very low	27.9	Very low	107 Å²	107	100 Å²	100	40%	0.404	51%	0.511	S	S	.	.			trans	-64.4	76.6	149.8	-70	-174.6	177.5	-168.9	0.1	107.3	H395 D500 E744	H395-R1010 PolarHBondContact NE2-NH2 2.74Å; D500-R1010 IonicContact OD2-NH2 2.63Å; E744-R1010 VanDerWaalsContact OE1-O 3.07Å
1011	Q	25	Very low	28.2	Very low	109 Å²	109	96.9 Å²	96.9	51%	0.509	48%	0.483	S	S	.	.			trans	-94.9	85.6	158.2	-90.2	-167.5	-7.5	0	0	105.4	N1009 L1013	N1009-Q1011 HydrophobicContact CB-CB 4.41Å; N1009-Q1011 HydrophobicContact CB-CG 4.17Å; N1009-Q1011 PolarHBondContact O-N 3.45Å; Q1011-L1013 PolarHBondContact O-N 2.76Å
1012	S	31.5	Very low	28.6	Very low	9 Å²	9	93.9 Å²	93.9	6%	0.063	47%	0.471	C	S	.	.			trans	-21.7	120.3	-176.2	153.2	0	0	0	0	114.6	E744 T1014 S1015	E744-S1012 WeakPolarHBondContact OE1-CA 3.42Å; E744-S1012 WeakPolarHBondContact OE1-CB 3.2Å; E744-S1012 PolarHBondContact OE1-N 2.93Å; S1012-T1014 PolarHBondContact O-N 3.15Å; S1012-T1014 VanDerWaalsContact OG-CA 3.3Å; S1012-T1014 WeakPolarHBondContact OG-CA 3.43Å; S1012-T1014 WeakPolarHBondContact OG-CB 3.48Å; S1012-T1014 PolarHBondContact OG-N 2.74Å; S1012-T1014 VanDerWaalsContact OG-N 3.1Å; S1012-T1014 PolarHBondContact OG-OG1 2.73Å; S1012-S1015 WeakPolarHBondContact O-CB 3.46Å; S1012-S1015 PolarHBondContact O-N 3.02Å; S1012-S1015 PolarHBondContact O-OG 3.07Å; S1012-S1015 PolarHBondContact OG-N 2.99Å
1013	L	28.4	Very low	28.6	Very low	110 Å²	110	91.8 Å²	91.8	58%	0.576	46%	0.463	S	S	*	.	H	α-helix	trans	-55.4	-37.5	166.2	-76.2	172.7	0	0	0	110.8	Q1011 S1015 R1016 F1017	Q1011-L1013 PolarHBondContact O-N 2.76Å; L1013-S1015 VanDerWaalsContact C-N 3.26Å; L1013-S1015 PolarHBondContact O-N 3.13Å; L1013-R1016 PolarHBondContact O-N 3.24Å; L1013-F1017 HydrophobicContact CB-CD2 3.95Å; L1013-F1017 HydrophobicContact CB-CE2 3.75Å; L1013-F1017 HydrophobicContact CD2-CE2 4.12Å; L1013-F1017 HydrophobicContact CD2-CZ 4.43Å; L1013-F1017 HydrophobicContact CG-CE2 4.36Å; L1013-F1017 WeakPolarHBondContact O-CB 3.22Å; L1013-F1017 WeakPolarHBondContact O-CD2 3.28Å; L1013-F1017 WeakPolarHBondContact O-CG 3.43Å; L1013-F1017 PolarHBondContact O-N 2.77Å
1014	T	33.3	Very low	28.7	Very low	1 Å²	1	90.5 Å²	90.5	1%	0.006	47%	0.465	C	S	.	.	H	α-helix	trans	-46.4	-46.3	169.5	-19.8	0	0	0	0	111.9	W422 T747 S1012 R1016 F1017 L1018	W422-T1014 HydrophobicContact CE3-CG2 4.5Å; W422-T1014 HydrophobicContact CH2-CG2 3.43Å; W422-T1014 VanDerWaalsContact CH2-CG2 3.43Å; W422-T1014 HydrophobicContact CZ2-CG2 4.33Å; W422-T1014 HydrophobicContact CZ3-CG2 3.52Å; T747-T1014 HydrophobicContact CG2-CG2 3.94Å; S1012-T1014 PolarHBondContact O-N 3.15Å; S1012-T1014 VanDerWaalsContact OG-CA 3.3Å; S1012-T1014 WeakPolarHBondContact OG-CA 3.43Å; S1012-T1014 WeakPolarHBondContact OG-CB 3.48Å; S1012-T1014 PolarHBondContact OG-N 2.74Å; S1012-T1014 VanDerWaalsContact OG-N 3.1Å; S1012-T1014 PolarHBondContact OG-OG1 2.73Å; T1014-R1016 PolarHBondContact O-N 3.12Å; T1014-F1017 PolarHBondContact O-N 3.18Å; T1014-L1018 HydrophobicContact CG2-CD1 3.98Å; T1014-L1018 WeakPolarHBondContact O-CB 3.41Å; T1014-L1018 WeakPolarHBondContact O-CG 3.4Å; T1014-L1018 PolarHBondContact O-N 2.83Å
1015	S	28.7	Very low	28.9	Very low	40 Å²	40	90.2 Å²	90.2	28%	0.28	47%	0.468	S	S	.	.	H	α-helix	trans	-66.7	-35.2	-179	77.8	0	0	0	0	113.1	S1012 L1013 N1019	S1012-S1015 WeakPolarHBondContact O-CB 3.46Å; S1012-S1015 PolarHBondContact O-N 3.02Å; S1012-S1015 PolarHBondContact O-OG 3.07Å; S1012-S1015 PolarHBondContact OG-N 2.99Å; L1013-S1015 VanDerWaalsContact C-N 3.26Å; L1013-S1015 PolarHBondContact O-N 3.13Å; S1015-N1019 PolarHBondContact O-ND2 3.22Å
1016	R	27	Very low	29.1	Very low	147 Å²	147	91.4 Å²	91.4	56%	0.555	47%	0.473	S	S	*	.	H	α-helix	trans	-76.3	-36	174.7	-63.5	-174.9	-174.7	169.9	6.4	111.6	L1013 T1014 R1020	L1013-R1016 PolarHBondContact O-N 3.24Å; T1014-R1016 PolarHBondContact O-N 3.12Å; R1016-R1020 PolarHBondContact O-N 3.42Å; R1016-R1020 VanDerWaalsContact O-N 3.14Å
1017	F	34	Very low	29.4	Very low	60 Å²	60	94.1 Å²	94.1	26%	0.263	48%	0.478	S	S	.	.	H	α-helix	trans	-76.2	-40.4	-178.8	-69	-48	0	0	0	113.2	L1013 T1014 N1019 R1020	L1013-F1017 HydrophobicContact CB-CD2 3.95Å; L1013-F1017 HydrophobicContact CB-CE2 3.75Å; L1013-F1017 HydrophobicContact CD2-CE2 4.12Å; L1013-F1017 HydrophobicContact CD2-CZ 4.43Å; L1013-F1017 HydrophobicContact CG-CE2 4.36Å; L1013-F1017 WeakPolarHBondContact O-CB 3.22Å; L1013-F1017 WeakPolarHBondContact O-CD2 3.28Å; L1013-F1017 WeakPolarHBondContact O-CG 3.43Å; L1013-F1017 PolarHBondContact O-N 2.77Å; T1014-F1017 PolarHBondContact O-N 3.18Å; F1017-N1019 VanDerWaalsContact C-N 3.27Å; F1017-N1019 PolarHBondContact O-N 2.71Å; F1017-R1020 PolarHBondContact O-N 2.81Å
1018	L	36.8	Very low	29.3	Very low	43 Å²	43	98.2 Å²	98.2	23%	0.225	50%	0.502	C	S	.	.	H	α-helix	trans	-66.2	-26.4	173.6	-72.7	169.4	0	0	0	113.2	I705 L745 T1014 S1021	I705-L1018 HydrophobicContact CD1-CD1 4.42Å; L745-L1018 HydrophobicContact CD1-CD1 3.83Å; T1014-L1018 HydrophobicContact CG2-CD1 3.98Å; T1014-L1018 WeakPolarHBondContact O-CB 3.41Å; T1014-L1018 WeakPolarHBondContact O-CG 3.4Å; T1014-L1018 PolarHBondContact O-N 2.83Å; L1018-S1021 PolarHBondContact O-OG 3.01Å; L1018-S1021 VanDerWaalsContact O-OG 3.11Å
1019	N	29.7	Very low	29.5	Very low	112 Å²	112	102.5 Å²	102.5	60%	0.599	52%	0.52	S	S	*	.	H	α-helix	trans	-83.3	-23.3	172.6	-81.1	-67.4	0	0	0	113.4	S1015 F1017 S1021	S1015-N1019 PolarHBondContact O-ND2 3.22Å; F1017-N1019 VanDerWaalsContact C-N 3.27Å; F1017-N1019 PolarHBondContact O-N 2.71Å; N1019-S1021 VanDerWaalsContact C-N 3.33Å; N1019-S1021 PolarHBondContact O-N 2.82Å
1020	R	31.7	Very low	29.5	Very low	181 Å²	181	107 Å²	107	68%	0.683	54%	0.539	S	S	*	.	H	α-helix	trans	-71.5	-20.8	177.5	-92.1	-171.3	172.6	-163.9	-0.8	113.9	R1016 F1017 G1022	R1016-R1020 PolarHBondContact O-N 3.42Å; R1016-R1020 VanDerWaalsContact O-N 3.14Å; F1017-R1020 PolarHBondContact O-N 2.81Å; R1020-G1022 VanDerWaalsContact C-N 3.28Å; R1020-G1022 PolarHBondContact O-N 2.99Å
1021	S	34	Very low	29.4	Very low	31 Å²	31	110.1 Å²	110.1	22%	0.217	56%	0.558	C	S	.	*	T	Hydrogen-bonded Turn	trans	-77.7	-4	179.9	53.5	0	0	0	0	115.1	L1018 N1019	L1018-S1021 PolarHBondContact O-OG 3.01Å; L1018-S1021 VanDerWaalsContact O-OG 3.11Å; N1019-S1021 VanDerWaalsContact C-N 3.33Å; N1019-S1021 PolarHBondContact O-N 2.82Å
1022	G	30.8	Very low	29.7	Very low	56 Å²	56	113.5 Å²	113.5	58%	0.577	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.9	12.5	-173.8	0	0	0	0	0	116.9	R1020	R1020-G1022 VanDerWaalsContact C-N 3.28Å; R1020-G1022 PolarHBondContact O-N 2.99Å
1023	A	27.5	Very low	29.8	Very low	67 Å²	67	116.6 Å²	116.6	55%	0.554	59%	0.586	S	S	*	*			trans	-122.1	6.6	-157	0	0	0	0	0	118.3	V1025	A1023-V1025 PolarHBondContact O-N 3.36Å
1024	D	25.4	Very low	30.1	Very low	162 Å²	162	117.6 Å²	117.6	87%	0.866	58%	0.582	S	S	*	*			trans	-99.3	58	-176.1	-86.7	-48.4	0	0	0	115.3
1025	V	26.6	Very low	30	Very low	134 Å²	134	120.5 Å²	120.5	81%	0.812	61%	0.606	S	S	*	*			trans	-140	88.4	159.2	-171.9	0	0	0	0	110.6	A1023	A1023-V1025 PolarHBondContact O-N 3.36Å
1026	R	28.1	Very low	30.2	Very low	242 Å²	242	130.1 Å²	130.1	91%	0.913	64%	0.636	S	S	*	*			trans	-120.2	114.6	167.3	-81.2	-171.8	170.9	-173.4	-1.6	111.6
1027	K	27.4	Very low	30.5	Very low	188 Å²	188	129.8 Å²	129.8	82%	0.817	64%	0.641	S	S	*	*			trans	-69.4	141.2	168.5	-64.1	179.4	178.8	179.8	0	109.7
1028	P	24.7	Very low	30.3	Very low	125 Å²	125	132 Å²	132	81%	0.812	66%	0.664	S	S	*	*			trans	-76.8	135.2	178	30.9	-34.3	0	0	0	111.9
1029	I	30.1	Very low	30.3	Very low	167 Å²	167	134.7 Å²	134.7	86%	0.856	68%	0.684	S	S	*	*			trans	-135.9	142.2	165.1	-60.5	-177.7	0	0	0	107.2
1030	Q	26.5	Very low	30.5	Very low	156 Å²	156	136.6 Å²	136.6	73%	0.729	69%	0.692	S	S	*	*			trans	-101.2	176.3	-165.6	-63.3	176.6	-19.1	0	0	114.1
1031	H	30.5	Very low	30.7	Very low	173 Å²	173	132 Å²	132	80%	0.801	69%	0.694	S	S	*	*			trans	95.5	144.9	168.6	-36.4	-43.7	0	0	0	117
1032	W	30	Very low	30.7	Very low	179 Å²	179	135.5 Å²	135.5	68%	0.678	71%	0.714	S	S	*	*			trans	-144.5	-23.3	-146.6	-123.9	94.9	0	0	0	128	S1378	W1032-S1378 VanDerWaalsContact CD2-CB 3.43Å; W1032-S1378 VanDerWaalsContact CE3-CA 3.45Å
1033	P	35.6	Very low	31	Very low	74 Å²	74	140.7 Å²	140.7	48%	0.481	72%	0.722	S	S	.	*				-129.3	171.5	-112.5	31.8	-14.1	0	0	0	121.7	C1375 I1376 L1377	P1033-C1375 CarbonylContact C-O 3.45Å; P1033-I1376 VanDerWaalsContact CB-C 3.46Å; P1033-I1376 HydrophobicContact CB-CG1 4.45Å; P1033-I1376 HydrophobicContact CG-CG1 3.86Å; P1033-L1377 WeakPolarHBondContact CA-O 3.49Å; P1033-L1377 VanDerWaalsContact CB-C 3.49Å; P1033-L1377 VanDerWaalsContact CB-CA 3.48Å; P1033-L1377 WeakPolarHBondContact CB-O 3.09Å
1034	R	33.4	Very low	31.4	Very low	132 Å²	132	143.1 Å²	143.1	50%	0.498	73%	0.731	S	S	.	*			cis	-159.8	172.9	-8.5	-153.7	-169.9	167.4	139.7	0.7	114.9	C1375 I1376 L1377	R1034-C1375 PolarHBondContact N-O 3.46Å; R1034-I1376 VanDerWaalsContact CB-N 3.34Å; R1034-L1377 WeakPolarHBondContact CA-O 3.14Å; R1034-L1377 WeakPolarHBondContact CB-O 3.49Å; R1034-L1377 VanDerWaalsContact CD-N 3.31Å; R1034-L1377 HydrophobicContact CG-CB 3.96Å; R1034-L1377 WeakPolarHBondContact CG-O 3.25Å
1035	A	31.6	Very low	31.8	Very low	62 Å²	62	142.3 Å²	142.3	51%	0.512	73%	0.726	S	S	.	*			trans	75	153.8	142	0	0	0	0	0	118.3
1036	W	33	Very low	32.3	Very low	241 Å²	241	139.5 Å²	139.5	91%	0.913	71%	0.713	S	S	*	*			cis	-128.7	-171.4	24	-91.5	69.8	0	0	0	115.1
1037	H	32.5	Very low	32.7	Very low	141 Å²	141	136.7 Å²	136.7	65%	0.653	71%	0.71	S	S	*	*			trans	-129.4	170.8	-167	-54.1	-67.8	0	0	0	111.1
1038	S	29.3	Very low	33.1	Very low	106 Å²	106	132.7 Å²	132.7	74%	0.741	71%	0.705	S	S	*	*			cis	-155.9	-128.7	3.9	39.9	0	0	0	0	107.9
1039	P	37.8	Very low	33.5	Very low	99 Å²	99	138.2 Å²	138.2	64%	0.643	71%	0.71	S	S	*	*			cis	-141.1	138.9	-23.4	34.4	-11.7	0	0	0	119.4
1040	I	32.9	Very low	33.8	Very low	152 Å²	152	135 Å²	135	78%	0.779	70%	0.7	S	S	*	*				62.8	124.8	124.5	-54.6	166.8	0	0	0	123	T1042	I1040-T1042 HydrophobicContact CG2-CG2 4.26Å
1041	A	36.2	Very low	34.3	Very low	86 Å²	86	132.4 Å²	132.4	71%	0.711	70%	0.699	S	S	*	*				176.9	109.9	127.2	0	0	0	0	0	109.9
1042	T	35.2	Very low	34.6	Very low	104 Å²	104	129.9 Å²	129.9	64%	0.638	70%	0.696	S	S	*	*				57.4	139.8	75	72.7	0	0	0	0	114.5	I1040	I1040-T1042 HydrophobicContact CG2-CG2 4.26Å
1043	H	37.7	Very low	34.6	Very low	164 Å²	164	126.2 Å²	126.2	76%	0.759	70%	0.698	S	S	*	*			cis	-137.2	-169.6	10.3	-82.5	-81.2	0	0	0	109.2
1044	T	35.9	Very low	34.7	Very low	119 Å²	119	127.7 Å²	127.7	73%	0.73	71%	0.708	S	S	*	*			cis	-167.9	166.6	6.7	-0.8	0	0	0	0	105
1045	D	33.7	Very low	34.6	Very low	145 Å²	145	126 Å²	126	78%	0.775	72%	0.715	S	S	*	*			cis	-168.9	-170.9	-13.6	-137	-23.4	0	0	0	105.9
1046	S	36.5	Very low	34.6	Very low	75 Å²	75	131 Å²	131	52%	0.524	73%	0.733	S	S	.	*			cis	-162.5	163	-4.5	50.9	0	0	0	0	110.9
1047	Q	35.2	Very low	34.4	Very low	182 Å²	182	122.9 Å²	122.9	85%	0.85	72%	0.717	S	S	*	*			trans	69.8	137.5	162.1	-34.3	-162.2	37.4	0	0	117.9
1048	S	36.8	Very low	34.3	Very low	104 Å²	104	121.8 Å²	121.8	73%	0.727	73%	0.725	S	S	*	*			cis	-148	122.8	-0.7	42.4	0	0	0	0	109.6
1049	R	33.2	Very low	34.3	Very low	241 Å²	241	121.1 Å²	121.1	91%	0.909	72%	0.721	S	S	*	*				70.7	149.5	93.9	-84.7	-165.3	166.3	-163.9	-2.2	116.7
1050	P	36.2	Very low	33.9	Very low	101 Å²	101	124.2 Å²	124.2	66%	0.656	73%	0.731	S	S	*	*			cis	-146.3	-176.5	-25.4	40	-20.9	0	0	0	117
1051	S	38.1	Very low	33.8	Very low	101 Å²	101	122.2 Å²	122.2	71%	0.706	73%	0.731	S	S	*	*			trans	71.9	146.8	147.2	60.6	0	0	0	0	121.1
1052	T	34.8	Very low	33.6	Very low	119 Å²	119	122.3 Å²	122.3	73%	0.73	73%	0.731	S	S	*	*			cis	-166.2	133	-18.6	25.4	0	0	0	0	106.1
1053	S	31.4	Very low	33.7	Very low	102 Å²	102	122.7 Å²	122.7	71%	0.713	74%	0.735	S	S	*	*				57	159.6	74.8	85.4	0	0	0	0	115.5
1054	P	36.9	Very low	33.4	Very low	106 Å²	106	120 Å²	120	69%	0.688	74%	0.736	S	S	*	*			cis	-136.2	157.7	0.7	48.8	-32.9	0	0	0	114.7
1055	S	31.5	Very low	33.3	Very low	95 Å²	95	118.9 Å²	118.9	66%	0.664	73%	0.732	S	S	*	*				78	153.4	98.5	79.8	0	0	0	0	121.1
1056	L	32	Very low	33.1	Very low	168 Å²	168	119.3 Å²	119.3	88%	0.88	73%	0.732	S	S	*	*			trans	75.4	158.9	162	-57	168.2	0	0	0	117.7
1057	A	28.5	Very low	32.9	Very low	71 Å²	71	123.7 Å²	123.7	59%	0.587	74%	0.744	S	S	*	*			cis	-173.1	160.3	-34	0	0	0	0	0	109.9
1058	S	29.7	Very low	32.5	Very low	117 Å²	117	126.2 Å²	126.2	82%	0.818	75%	0.745	S	S	*	*			trans	59.9	160.8	165.6	54.2	0	0	0	0	117.9
1059	S	29.8	Very low	32.5	Very low	92 Å²	92	126 Å²	126	64%	0.643	74%	0.742	S	S	*	*			cis	-173.2	157.5	-21.7	52	0	0	0	0	109.5
1060	L	29.8	Very low	32.3	Very low	165 Å²	165	122.6 Å²	122.6	86%	0.864	74%	0.736	S	S	*	*			trans	67.4	154.5	165.4	-60.7	158	0	0	0	114.8
1061	S	30.9	Very low	32.1	Very low	110 Å²	110	123 Å²	123	77%	0.769	74%	0.742	S	S	*	*			cis	-152.7	165.9	-8.1	40.5	0	0	0	0	111
1062	A	31.5	Very low	31.8	Very low	88 Å²	88	124 Å²	124	73%	0.727	74%	0.739	S	S	*	*			trans	-81.3	-166.3	173.9	0	0	0	0	0	111.4
1063	P	38	Very low	31.6	Very low	111 Å²	111	128.3 Å²	128.3	72%	0.721	74%	0.742	S	S	*	*			cis	-145.5	-158.4	6.4	44.9	-23.5	0	0	0	116.6
1064	S	31.9	Very low	31.6	Very low	109 Å²	109	130.6 Å²	130.6	76%	0.762	74%	0.744	S	S	*	*			trans	73.5	145.8	155.4	52.8	0	0	0	0	119.6
1065	S	33.2	Very low	31.2	Very low	95 Å²	95	131 Å²	131	66%	0.664	75%	0.75	S	S	*	*			cis	-167.8	151.9	-7.9	44.5	0	0	0	0	112.2
1066	M	29.8	Very low	31.2	Very low	154 Å²	154	130.3 Å²	130.3	76%	0.759	76%	0.758	S	S	*	*			trans	50.2	144	138.6	-63.5	159.3	85.1	0	0	120.1
1067	E	31.6	Very low	31.1	Very low	167 Å²	167	130.2 Å²	130.2	78%	0.78	76%	0.757	S	S	*	*			cis	-157.3	-174.6	6.2	-130	163.2	-178.5	0	0	113.1
1068	R	27	Very low	31.2	Very low	234 Å²	234	135.6 Å²	135.6	88%	0.883	77%	0.767	S	S	*	*			trans	-101.4	-166.1	174.5	-58.5	179.1	164.7	-179.1	-3.4	110
1069	P	35.9	Very low	31.2	Very low	100 Å²	100	134.4 Å²	134.4	65%	0.649	76%	0.759	S	S	*	*			cis	-139.7	-179.2	-6.6	39.3	-17.8	0	0	0	117.7
1070	E	29.8	Very low	31.1	Very low	170 Å²	170	139.2 Å²	139.2	79%	0.794	77%	0.769	S	S	*	*			trans	63.8	113.2	139.4	-80.4	157.6	-135.7	0	0	125.5
1071	S	31.2	Very low	31.2	Very low	110 Å²	110	137.5 Å²	137.5	77%	0.769	77%	0.765	S	S	*	*				97.9	150.1	117.2	77.4	0	0	0	0	123.4
1072	D	33.2	Very low	31.3	Very low	122 Å²	122	136.5 Å²	136.5	65%	0.652	76%	0.763	S	S	*	*			trans	62.7	98.9	155.1	-88.9	24.8	0	0	0	124.9
1073	R	29.4	Very low	31.1	Very low	209 Å²	209	137.3 Å²	137.3	79%	0.789	76%	0.762	S	S	*	*				78	141.3	111.1	-84.6	-177.3	171.7	168.9	-5.6	123.5
1074	I	32.4	Very low	30.8	Very low	149 Å²	149	141.4 Å²	141.4	76%	0.764	77%	0.769	S	S	*	*			trans	91.1	105.8	151	-66.9	155.2	0	0	0	119.6
1075	S	28.6	Very low	30.8	Very low	116 Å²	116	146.3 Å²	146.3	81%	0.811	77%	0.77	S	S	*	*			trans	22	133.5	151.1	66.2	0	0	0	0	123.5
1076	G	31.4	Very low	30.9	Very low	80 Å²	80	146.7 Å²	146.7	83%	0.825	77%	0.765	S	S	*	*			trans	178.4	97.4	159.4	0	0	0	0	0	117.9
1077	L	29.6	Very low	31.1	Very low	165 Å²	165	149.1 Å²	149.1	86%	0.864	77%	0.766	S	S	*	*			trans	-13.5	148.8	157.1	-89.1	150.5	0	0	0	121.8
1078	K	30.8	Very low	31.2	Very low	185 Å²	185	147.5 Å²	147.5	80%	0.804	76%	0.762	S	S	*	*			trans	94.8	98.5	153.5	-69.5	173	-177.9	-178.3	0	122.3
1079	S	28.9	Very low	31.5	Very low	92 Å²	92	144.3 Å²	144.3	64%	0.643	76%	0.757	S	S	*	*				47.3	150.6	115.8	65.4	0	0	0	0	125.1
1080	F	28.1	Very low	31.3	Very low	193 Å²	193	146.3 Å²	146.3	85%	0.846	76%	0.763	S	S	*	*			trans	78.3	146.7	169.5	-70.3	-93.7	0	0	0	117.1
1081	V	31.7	Very low	31.4	Very low	129 Å²	129	145.9 Å²	145.9	78%	0.782	76%	0.764	S	S	*	*			cis	-169.6	-172.7	-23.6	84.5	0	0	0	0	110.9
1082	A	32.5	Very low	31.5	Very low	89 Å²	89	144.2 Å²	144.2	74%	0.736	77%	0.765	S	S	*	*			trans	84.6	154.7	160.6	0	0	0	0	0	120
1083	C	29.1	Very low	31.2	Very low	104 Å²	104	147.5 Å²	147.5	70%	0.703	78%	0.776	S	S	*	*			cis	-175.4	147.9	-23.8	176.5	0	0	0	0	112.2
1084	K	30.5	Very low	31.3	Very low	198 Å²	198	145.3 Å²	145.3	86%	0.861	78%	0.778	S	S	*	*			trans	-171.3	122.6	147.2	-100.2	167	-178.7	-178.8	0	107.1
1085	R	33	Very low	31.3	Very low	212 Å²	212	143.5 Å²	143.5	80%	0.8	78%	0.776	S	S	*	*				76.4	135	60.2	-81.5	-173.8	-178.2	163.3	3.9	113.9
1086	D	34.9	Very low	31.3	Very low	103 Å²	103	142.9 Å²	142.9	55%	0.551	77%	0.772	S	S	*	*			cis	-154.9	151	15.8	-113.6	-64.1	0	0	0	113
1087	R	33.4	Very low	31.2	Very low	204 Å²	204	145 Å²	145	77%	0.77	77%	0.769	S	S	*	*			trans	68.2	132.8	149.3	-68	159.7	-153.1	-134	1.4	120.7
1088	N	33.5	Very low	31.2	Very low	133 Å²	133	141.9 Å²	141.9	71%	0.711	76%	0.761	S	S	*	*				76.3	139.8	57.3	-70.7	43.4	0	0	0	112.4
1089	E	34.5	Very low	31.1	Very low	167 Å²	167	137.9 Å²	137.9	78%	0.78	76%	0.756	S	S	*	*			cis	-163.9	167.7	3.8	-98.7	153.9	-113.6	0	0	107.1
1090	D	31.7	Very low	31.2	Very low	142 Å²	142	138 Å²	138	76%	0.759	76%	0.757	S	S	*	*			cis	-171.7	175.7	-31.5	-172.1	24.9	0	0	0	109.7
1091	I	31.9	Very low	31.3	Very low	161 Å²	161	138.6 Å²	138.6	83%	0.826	76%	0.76	S	S	*	*			trans	74.9	126.4	167.3	-55.2	170.9	0	0	0	119.1
1092	G	32.1	Very low	31.4	Very low	76 Å²	76	136 Å²	136	78%	0.784	76%	0.759	S	S	*	*			trans	163.1	116.3	159.2	0	0	0	0	0	115.8
1093	Q	27.6	Very low	31.3	Very low	191 Å²	191	137.6 Å²	137.6	89%	0.893	77%	0.765	S	S	*	*			trans	-114.4	156.9	173.9	-71.4	-176.3	-13.2	0	0	112.1
1094	I	30.7	Very low	31.6	Very low	162 Å²	162	137 Å²	137	83%	0.831	77%	0.767	S	S	*	*			trans	139.1	134.6	146.8	-74.2	160.8	0	0	0	111.4
1095	P	33.5	Very low	31.9	Very low	111 Å²	111	131.8 Å²	131.8	72%	0.721	76%	0.761	S	S	*	*			trans	-105.9	173.5	-173.7	40.4	-36.8	0	0	0	115.8
1096	S	28.9	Very low	31.9	Very low	103 Å²	103	126.7 Å²	126.7	72%	0.72	77%	0.765	S	S	*	*			trans	98.5	149.6	146.8	81.5	0	0	0	0	121.4
1097	T	28.2	Very low	31.9	Very low	124 Å²	124	126 Å²	126	76%	0.761	77%	0.773	S	S	*	*			trans	81.7	134.2	160.1	60.6	0	0	0	0	122.7
1098	S	29.4	Very low	31.7	Very low	100 Å²	100	121.3 Å²	121.3	70%	0.699	77%	0.772	S	S	*	*			trans	65	97.4	140.9	59.7	0	0	0	0	122.6
1099	S	28.8	Very low	31.7	Very low	101 Å²	101	120 Å²	120	71%	0.706	77%	0.772	S	S	*	*				65	114.5	113.5	72.7	0	0	0	0	122.8
1100	S	32	Very low	31.5	Very low	94 Å²	94	117.1 Å²	117.1	66%	0.657	77%	0.771	S	S	*	*				90.5	152.3	111.9	72.1	0	0	0	0	123.9
1101	F	29.8	Very low	31.4	Very low	207 Å²	207	115.1 Å²	115.1	91%	0.908	77%	0.768	S	S	*	*			trans	91	118.9	157.1	-71.1	-66.2	0	0	0	122.6
1102	G	34	Very low	31.3	Very low	74 Å²	74	112.3 Å²	112.3	76%	0.763	76%	0.763	S	S	*	*			trans	141.9	133.4	140.2	0	0	0	0	0	115.1
1103	S	30.9	Very low	31.3	Very low	122 Å²	122	117.6 Å²	117.6	85%	0.853	77%	0.767	S	S	*	*			cis	-167.7	169.3	-18.4	-158.5	0	0	0	0	112
1104	A	35.3	Very low	31.6	Very low	92 Å²	92	111.6 Å²	111.6	76%	0.76	76%	0.756	S	S	*	*			trans	74.6	150.9	160	0	0	0	0	0	119.5
1105	A	34.9	Very low	31.7	Very low	89 Å²	89	110.7 Å²	110.7	74%	0.736	75%	0.752	S	S	*	*			cis	-167.7	132.1	-25.1	0	0	0	0	0	113.8
1106	A	33.7	Very low	31.7	Very low	105 Å²	105	111.5 Å²	111.5	87%	0.868	75%	0.75	S	S	*	*			trans	66.9	159.8	142.4	0	0	0	0	0	119.9
1107	A	34.6	Very low	31.7	Very low	87 Å²	87	116.2 Å²	116.2	72%	0.719	75%	0.753	S	S	*	*			cis	-148.9	140.3	4.1	0	0	0	0	0	115
1108	S	30.7	Very low	32	Very low	107 Å²	107	115.9 Å²	115.9	75%	0.748	75%	0.75	S	S	*	*			trans	19.1	144.6	143.5	64.7	0	0	0	0	125.8
1109	S	32.5	Very low	32.1	Very low	104 Å²	104	120.6 Å²	120.6	73%	0.727	75%	0.752	S	S	*	*				109.7	103.4	124.9	76.1	0	0	0	0	123.5
1110	S	30	Very low	32.2	Very low	107 Å²	107	125.1 Å²	125.1	75%	0.748	75%	0.754	S	S	*	*				73.1	137	125.2	62.4	0	0	0	0	126
1111	S	29.4	Very low	32.1	Very low	100 Å²	100	129.1 Å²	129.1	70%	0.699	76%	0.755	S	S	*	*			trans	83.8	97.8	136.7	58.2	0	0	0	0	124.9
1112	S	30.1	Very low	32.1	Very low	103 Å²	103	125.1 Å²	125.1	72%	0.72	74%	0.739	S	S	*	*				99.9	143.6	106	77.4	0	0	0	0	124.7
1113	H	32.6	Very low	31.7	Very low	186 Å²	186	127.2 Å²	127.2	86%	0.861	74%	0.737	S	S	*	*			trans	86.3	132.8	151	-82.3	-71.8	0	0	0	124.7
1114	G	34.2	Very low	31.5	Very low	65 Å²	65	131.9 Å²	131.9	67%	0.67	74%	0.737	S	S	*	*			trans	108.5	103	168.8	0	0	0	0	0	113.6
1115	L	31.7	Very low	31.3	Very low	144 Å²	144	135.9 Å²	135.9	75%	0.754	74%	0.741	S	S	*	*				69.6	131	52.3	-58.8	179.7	0	0	0	113.7
1116	D	33.6	Very low	30.8	Very low	127 Å²	127	139.6 Å²	139.6	68%	0.679	74%	0.742	S	S	*	*			cis	-130.5	148.7	8.1	-92.9	-56.5	0	0	0	111.4
1117	R	29.8	Very low	30.5	Very low	203 Å²	203	140.2 Å²	140.2	77%	0.766	74%	0.74	S	S	*	*				52.2	135.1	81.4	-78	179.6	166.6	172.6	-0.3	114.5
1118	V	35.2	Very low	30	Very low	116 Å²	116	144.3 Å²	144.3	70%	0.703	75%	0.745	S	S	*	*				-152	128.5	61.2	162.9	0	0	0	0	113.9
1119	R	29.6	Very low	29.9	Very low	200 Å²	200	146.2 Å²	146.2	76%	0.755	75%	0.746	S	S	*	*			trans	39.5	148.6	140.2	-53.6	176	171.9	146	-4.1	120.4
1120	R	31	Very low	29.5	Very low	196 Å²	196	149.6 Å²	149.6	74%	0.74	75%	0.75	S	S	*	*			cis	-168.6	126.4	31.8	-149	162.2	-175.1	-171	-0.6	114.6
1121	R	30.3	Very low	29.4	Very low	177 Å²	177	148.6 Å²	148.6	67%	0.668	75%	0.748	S	S	*	*			trans	66.8	154.1	132.7	-71.9	-163.9	160.6	-154.4	-30	123.4
1122	E	29.5	Very low	29.1	Very low	123 Å²	123	155.7 Å²	155.7	58%	0.575	76%	0.759	S	S	*	*			cis	-167.6	130.9	-25.6	-119.2	161.6	-147.3	0	0	111
1123	T	27.2	Very low	28.9	Very low	119 Å²	119	156.1 Å²	156.1	73%	0.73	76%	0.762	S	S	*	*			trans	45.3	120.8	139.9	56.9	0	0	0	0	125.8
1124	Y	26.7	Very low	28.7	Very low	219 Å²	219	159.1 Å²	159.1	86%	0.859	77%	0.766	S	S	*	*				40	125.6	110.2	-111.6	-95	0	0	0	122.8
1125	E	29.7	Very low	28.6	Very low	177 Å²	177	160.8 Å²	160.8	83%	0.827	77%	0.768	S	S	*	*			trans	169.6	122.3	135.4	-96.5	175.6	-171.3	0	0	108.8
1126	Q	25.4	Very low	28.5	Very low	166 Å²	166	160 Å²	160	78%	0.776	77%	0.771	S	S	*	*				89.8	133	74.4	-91.8	-157.9	2.9	0	0	117.5
1127	S	26.3	Very low	28.1	Very low	118 Å²	118	157.1 Å²	157.1	83%	0.825	77%	0.765	S	S	*	*			trans	78.7	155.5	154.9	72.4	0	0	0	0	121.4
1128	E	25.8	Very low	28	Very low	174 Å²	174	158 Å²	158	81%	0.813	77%	0.77	S	S	*	*			trans	-82.1	159.1	-167.3	-51.2	160.9	120.5	0	0	113.5
1129	L	26.6	Very low	27.5	Very low	147 Å²	147	157.3 Å²	157.3	77%	0.77	77%	0.77	S	S	*	*				165.9	130.6	118.1	-86.4	166.9	0	0	0	114
1130	H	25.8	Very low	27.3	Very low	175 Å²	175	154 Å²	154	81%	0.81	77%	0.767	S	S	*	*			trans	34.1	125.6	145.6	-73.8	90.3	0	0	0	123.6
1131	A	26.1	Very low	27	Very low	86 Å²	86	150.7 Å²	150.7	71%	0.711	77%	0.769	S	S	*	*			trans	98.3	111	130.3	0	0	0	0	0	122.9
1132	R	23.9	Very low	26.8	Very low	248 Å²	248	150.9 Å²	150.9	94%	0.936	78%	0.777	S	S	*	*				62.1	93.2	128.9	-62.9	178.9	170.9	-176	-2.4	121.1
1133	S	26.9	Very low	26.6	Very low	112 Å²	112	148.2 Å²	148.2	78%	0.783	78%	0.782	S	S	*	*			trans	-157.3	109	134.3	41.1	0	0	0	0	109.6
1134	R	26.5	Very low	26.5	Very low	250 Å²	250	153.8 Å²	153.8	94%	0.943	79%	0.789	S	S	*	*				73.2	106.5	95.3	-78.4	-171.4	172.9	-172.9	-2.3	114.7
1135	S	32.5	Very low	26.4	Very low	100 Å²	100	149.2 Å²	149.2	70%	0.699	78%	0.78	S	S	*	*			trans	-77.9	-178.4	166.1	55.5	0	0	0	0	112.3
1136	P	29.7	Very low	26.2	Very low	127 Å²	127	145 Å²	145	83%	0.825	77%	0.77	S	S	*	*				-121.4	151.9	97.3	36	-33.9	0	0	0	112.7
1137	A	25.9	Very low	26.2	Very low	67 Å²	67	143 Å²	143	55%	0.554	77%	0.769	S	S	*	*			cis	113.9	108.6	9.4	0	0	0	0	0	113.9
1138	Y	26.7	Very low	26	Very low	221 Å²	221	144.5 Å²	144.5	87%	0.867	77%	0.767	S	S	*	*			trans	52.2	158.4	147.6	-61.9	-80	0	0	0	119.8
1139	S	24.6	Very low	26	Very low	101 Å²	101	140.5 Å²	140.5	71%	0.706	76%	0.758	S	S	*	*			cis	-144.3	158.7	15.2	52.7	0	0	0	0	110
1140	L	27.1	Very low	25.9	Very low	131 Å²	131	140.9 Å²	140.9	69%	0.686	76%	0.756	S	S	*	*				49	127.8	70.3	-81.3	158	0	0	0	112.5
1141	T	25	Very low	25.8	Very low	127 Å²	127	138.9 Å²	138.9	78%	0.779	75%	0.751	S	S	*	*				-160.2	178.4	61	40.2	0	0	0	0	115.9
1142	H	25.3	Very low	25.8	Very low	181 Å²	181	139 Å²	139	84%	0.838	75%	0.745	S	S	*	*			trans	-44.9	159.8	164.5	-49.8	-74.3	0	0	0	113.9
1143	G	25.7	Very low	25.9	Very low	66 Å²	66	134.6 Å²	134.6	68%	0.68	73%	0.733	S	S	*	*			cis	128.6	167.1	18	0	0	0	0	0	109.7
1144	R	24.7	Very low	25.9	Very low	236 Å²	236	134.5 Å²	134.5	89%	0.891	73%	0.728	S	S	*	*			trans	67.8	157.9	-177.5	-69.2	-177.1	166.7	157.9	1	115.5
1145	D	24.4	Very low	26.1	Very low	124 Å²	124	130.1 Å²	130.1	66%	0.663	72%	0.722	S	S	*	*			cis	-151.5	164	-14.4	-119.6	-34	0	0	0	112.4
1146	S	25.6	Very low	25.7	Very low	88 Å²	88	131.6 Å²	131.6	62%	0.615	72%	0.721	S	S	*	*			trans	23.7	131	145.2	84	0	0	0	0	123
1147	V	24.2	Very low	25.5	Very low	124 Å²	124	129.5 Å²	129.5	75%	0.752	72%	0.715	S	S	*	*				76.4	133.3	117.8	168.6	0	0	0	0	120.4
1148	L	23.6	Very low	25.5	Very low	150 Å²	150	133.8 Å²	133.8	79%	0.785	72%	0.724	S	S	*	*			trans	66.4	119.4	163.5	-77	167.4	0	0	0	116.1
1149	S	24.9	Very low	25.4	Very low	90 Å²	90	129.9 Å²	129.9	63%	0.629	71%	0.713	S	S	*	*				75	148.3	94	91.5	0	0	0	0	112.5
1150	E	25.1	Very low	25.4	Very low	155 Å²	155	131 Å²	131	72%	0.724	71%	0.711	S	S	*	*			cis	-163.3	-174.8	15.5	-171.2	82.8	151.1	0	0	104.6
1151	L	23.8	Very low	25.2	Very low	133 Å²	133	131.8 Å²	131.8	70%	0.696	72%	0.715	S	S	*	*			trans	67.1	129.5	157.2	-57.7	163	0	0	0	115.5
1152	C	25.9	Very low	25.2	Very low	89 Å²	89	130.7 Å²	130.7	60%	0.601	71%	0.712	S	S	*	*			cis	-153.8	147.2	18.2	-109.8	0	0	0	0	108.5
1153	K	25.9	Very low	25.5	Very low	154 Å²	154	126.9 Å²	126.9	67%	0.67	70%	0.704	S	S	*	*				51.6	130.7	91.8	-52.1	178.4	-156.5	147.8	0	113
1154	T	26.9	Very low	25.4	Very low	110 Å²	110	129.5 Å²	129.5	68%	0.675	70%	0.702	S	S	*	*			cis	-166.3	144.1	15.2	-4.2	0	0	0	0	111.9
1155	L	30.3	Very low	25.3	Very low	158 Å²	158	128 Å²	128	83%	0.827	70%	0.696	S	S	*	*			trans	-170.6	92.7	138.2	-97	149.1	0	0	0	104.9
1156	L	24.9	Very low	25.4	Very low	131 Å²	131	130 Å²	130	69%	0.686	70%	0.702	S	S	*	*				58	93.3	94.5	-67.5	161.4	0	0	0	109.8
1157	A	25.2	Very low	25.4	Very low	84 Å²	84	137.1 Å²	137.1	69%	0.694	72%	0.715	S	S	*	*				68.9	166.3	63.5	0	0	0	0	0	113.3
1158	Q	25.5	Very low	25.4	Very low	157 Å²	157	139.7 Å²	139.7	73%	0.734	72%	0.724	S	S	*	*			trans	77.4	139.8	-173.7	-55.2	-171.1	-73.2	0	0	115.6
1159	E	24.4	Very low	25.5	Very low	138 Å²	138	135.8 Å²	135.8	65%	0.645	72%	0.72	S	S	*	*			cis	-163.4	168.5	-14.9	-118.3	170.4	-157.2	0	0	111.2
1160	L	24.4	Very low	25.5	Very low	125 Å²	125	139.6 Å²	139.6	65%	0.654	73%	0.725	S	S	*	*			trans	47.9	126.8	144.3	-61.1	169.7	0	0	0	119.6
1161	L	23.6	Very low	25.5	Very low	147 Å²	147	141.8 Å²	141.8	77%	0.77	73%	0.728	S	S	*	*				41.2	118.2	87.1	-75.9	107.7	0	0	0	112.3
1162	S	25.1	Very low	25.5	Very low	104 Å²	104	139.1 Å²	139.1	73%	0.727	73%	0.725	S	S	*	*			cis	175.9	-143.2	42.1	39.7	0	0	0	0	110.2
1163	P	31.2	Very low	25.4	Very low	102 Å²	102	140.6 Å²	140.6	66%	0.662	74%	0.736	S	S	*	*				-93.9	-173.3	-111.4	40.7	-24.3	0	0	0	112.3
1164	D	24.3	Very low	25.3	Very low	121 Å²	121	138 Å²	138	65%	0.647	74%	0.737	S	S	*	*			cis	-159.7	142.4	38.1	-108	-40.5	0	0	0	108.9
1165	R	23.3	Very low	25.2	Very low	203 Å²	203	140.7 Å²	140.7	77%	0.766	75%	0.747	S	S	*	*				58.8	138.5	88.8	-66.3	-169.3	170.8	-175	-2.7	117.8
1166	H	26.4	Very low	25	Very low	168 Å²	168	136.8 Å²	136.8	78%	0.778	74%	0.744	S	S	*	*			trans	70.8	138.3	172.1	-50.2	-73.5	0	0	0	115.1
1167	R	25.4	Very low	25	Very low	237 Å²	237	136.7 Å²	136.7	89%	0.894	75%	0.745	S	S	*	*			cis	-128.9	126.7	15.8	-74.1	-178.7	173	-172.5	-1.9	114.5
1168	L	24	Very low	25	Very low	178 Å²	178	142.3 Å²	142.3	93%	0.932	75%	0.748	S	S	*	*			trans	-59.7	146.1	142.2	-87.3	155.2	0	0	0	110.5
1169	G	25.6	Very low	25	Very low	68 Å²	68	138.8 Å²	138.8	70%	0.701	74%	0.741	S	S	*	*			trans	-174.6	81	175.2	0	0	0	0	0	117.1
1170	K	24.2	Very low	25.1	Very low	170 Å²	170	140.1 Å²	140.1	74%	0.739	75%	0.746	S	S	*	*			trans	37.3	136.1	141.1	-49	176.8	-177.7	-179.8	0	118.5
1171	Y	24.6	Very low	25.2	Very low	201 Å²	201	140.6 Å²	140.6	79%	0.788	75%	0.749	S	S	*	*			cis	-145.1	149.7	26.6	-64.3	-99.6	0	0	0	108.8
1172	A	23.8	Very low	25.3	Very low	77 Å²	77	139.1 Å²	139.1	64%	0.636	75%	0.746	S	S	*	*			cis	78.4	97.8	15.8	0	0	0	0	0	117
1173	S	23.8	Very low	25.3	Very low	119 Å²	119	138.7 Å²	138.7	83%	0.832	75%	0.749	S	S	*	*			trans	68.4	164.2	165.3	79.4	0	0	0	0	116.2
1174	S	24.4	Very low	25.1	Very low	99 Å²	99	139 Å²	139	69%	0.692	75%	0.753	S	S	*	*			cis	-146.4	150.3	13.5	61.9	0	0	0	0	116
1175	L	24.6	Very low	25.2	Very low	168 Å²	168	137.6 Å²	137.6	88%	0.88	76%	0.759	S	S	*	*			trans	8.4	146	145.8	-63.2	88.7	0	0	0	121.5
1176	G	25.5	Very low	25.6	Very low	75 Å²	75	133.6 Å²	133.6	77%	0.773	76%	0.759	S	S	*	*			trans	121.5	142.6	142.4	0	0	0	0	0	115.4
1177	D	25.7	Very low	25.8	Very low	129 Å²	129	131.6 Å²	131.6	69%	0.69	76%	0.761	S	S	*	*			cis	-158.9	170.9	-17.9	-156.2	2.1	0	0	0	110.4
1178	R	25	Very low	26	Very low	203 Å²	203	123.4 Å²	123.4	77%	0.766	75%	0.751	S	S	*	*			trans	39	109.8	153	-75.7	159	-155.5	-115	-5	119.8
1179	S	25.5	Very low	26.3	Very low	83 Å²	83	122.5 Å²	122.5	58%	0.58	75%	0.746	S	S	*	*				88.3	158.3	61	70.5	0	0	0	0	115.4
1180	H	27	Very low	26.4	Very low	165 Å²	165	125.1 Å²	125.1	76%	0.764	74%	0.743	S	S	*	*			trans	77.4	144	171.4	-61.9	-59.6	0	0	0	116.4
1181	L	26.8	Very low	26.4	Very low	136 Å²	136	125.3 Å²	125.3	71%	0.712	74%	0.744	S	S	*	*			cis	-150.8	133.7	-3.4	-109.1	156.5	0	0	0	112.3
1182	T	25.1	Very low	26.4	Very low	116 Å²	116	122.8 Å²	122.8	71%	0.712	74%	0.744	S	S	*	*			trans	20.3	151.2	144	56.9	0	0	0	0	125.4
1183	A	26.1	Very low	26.3	Very low	94 Å²	94	124.2 Å²	124.2	78%	0.777	75%	0.749	S	S	*	*			trans	78.6	148.5	139.3	0	0	0	0	0	119.4
1184	S	26.3	Very low	26.5	Very low	109 Å²	109	125.3 Å²	125.3	76%	0.762	74%	0.744	S	S	*	*			cis	-167	137.5	-11.7	48.7	0	0	0	0	115.1
1185	A	26.2	Very low	26.5	Very low	92 Å²	92	126.1 Å²	126.1	76%	0.76	75%	0.75	S	S	*	*			trans	72.2	176.6	138.4	0	0	0	0	0	118.8
1186	P	30.9	Very low	26.4	Very low	119 Å²	119	126.4 Å²	126.4	77%	0.773	75%	0.749	S	S	*	*				-136.8	-136.2	-114.5	32.2	-3.8	0	0	0	113.9
1187	P	32.3	Very low	26.5	Very low	125 Å²	125	131.7 Å²	131.7	81%	0.812	76%	0.755	S	S	*	*				-122.5	176.3	-84.6	36.7	-21.4	0	0	0	114.8
1188	G	28.7	Very low	26.5	Very low	66 Å²	66	130.5 Å²	130.5	68%	0.68	76%	0.757	S	S	*	*			trans	-175.9	119	160.5	0	0	0	0	0	117.4
1189	L	29.3	Very low	26.5	Very low	159 Å²	159	129.5 Å²	129.5	83%	0.832	77%	0.766	S	S	*	*			trans	46.8	137.8	135.8	-52.1	178.8	0	0	0	120.2
1190	L	28	Very low	26.6	Very low	123 Å²	123	130.3 Å²	130.3	64%	0.644	77%	0.772	S	S	*	*			cis	-166.8	145.2	3.9	-105.9	162.9	0	0	0	110.8
1191	K	23.8	Very low	26.8	Very low	174 Å²	174	127.4 Å²	127.4	76%	0.757	77%	0.768	S	S	*	*			trans	50.2	123.3	150.4	-71.2	172.3	-176.4	175.4	0	119.2
1192	N	24.6	Very low	26.7	Very low	148 Å²	148	131.2 Å²	131.2	79%	0.791	78%	0.779	S	S	*	*				-174.8	167	66.3	-105.6	-24.8	0	0	0	114.2
1193	S	23.6	Very low	27.1	Very low	106 Å²	106	128.1 Å²	128.1	74%	0.741	76%	0.762	S	S	*	*			trans	89.4	160.4	156.7	84.9	0	0	0	0	121.3
1194	I	27	Very low	27.2	Very low	143 Å²	143	132.2 Å²	132.2	73%	0.733	77%	0.771	S	S	*	*			trans	71.9	133.1	177.3	-54.8	176.3	0	0	0	116.6
1195	S	23.8	Very low	27.6	Very low	115 Å²	115	129.7 Å²	129.7	80%	0.804	75%	0.749	S	S	*	*			trans	-131.1	133.3	178	177.7	0	0	0	0	110
1196	M	23.5	Very low	28	Very low	175 Å²	175	135.6 Å²	135.6	86%	0.862	75%	0.752	S	S	*	*			trans	-124	126	173.8	-79.2	-158.2	-61.7	0	0	111.5
1197	M	26.4	Very low	28.3	Very low	185 Å²	185	138.7 Å²	138.7	91%	0.911	75%	0.748	S	S	*	*			trans	-154.6	144.6	160.4	-75	-163.6	178.7	0	0	107.4
1198	S	26.8	Very low	28.5	Very low	104 Å²	104	137 Å²	137	73%	0.727	73%	0.729	S	S	*	*			cis	-160.9	146.3	-3.7	48.8	0	0	0	0	110.6
1199	L	25.5	Very low	29.2	Very low	182 Å²	182	136.8 Å²	136.8	95%	0.953	72%	0.715	S	S	*	*			trans	-115.3	125.2	160.9	-79.1	168.7	0	0	0	109
1200	S	27.4	Very low	30.1	Very low	100 Å²	100	132.5 Å²	132.5	70%	0.699	70%	0.695	S	S	*	*			trans	-112.4	111.2	-177.5	55.1	0	0	0	0	111.2
1201	P	31	Very low	30.8	Very low	105 Å²	105	129.2 Å²	129.2	68%	0.682	68%	0.68	S	S	*	*			trans	-85.7	123.7	-179.9	32.1	-32.2	0	0	0	112	S1203	P1201-S1203 PolarHBondContact O-N 3.01Å
1202	F	24.8	Very low	31.7	Very low	216 Å²	216	127.1 Å²	127.1	95%	0.947	68%	0.675	S	S	*	*			trans	-84	80.6	163.3	-92	-87.8	0	0	0	109.9
1203	S	33.3	Very low	33	Very low	50 Å²	50	127.1 Å²	127.1	35%	0.35	67%	0.668	S	S	.	*			trans	-154.6	118.9	167.8	173.8	0	0	0	0	108.2	P1201 D1205 Q1208	P1201-S1203 PolarHBondContact O-N 3.01Å; S1203-D1205 PolarHBondContact O-N 2.99Å; S1203-Q1208 PolarHBondContact OG-OE1 3Å
1204	N	28.1	Very low	34.4	Very low	181 Å²	181	127.3 Å²	127.3	97%	0.968	65%	0.652	S	S	*	*			trans	-81.2	14.7	-176.6	-90.9	-27	0	0	0	113.7	R1206	N1204-R1206 PolarHBondContact O-N 3.38Å
1205	D	34.6	Very low	35.4	Very low	56 Å²	56	124.4 Å²	124.4	30%	0.299	64%	0.638	S	S	.	*			trans	-77.4	117.6	-177.8	-175.6	6.1	0	0	0	112.9	S1203 R1207 Q1208 T1209	S1203-D1205 PolarHBondContact O-N 2.99Å; D1205-R1207 VanDerWaalsContact C-N 3.27Å; D1205-R1207 PolarHBondContact O-N 2.8Å; D1205-R1207 WeakPolarHBondContact OD1-CB 3.35Å; D1205-R1207 PolarHBondContact OD1-N 2.84Å; D1205-Q1208 HydrophobicContact CB-CB 4.11Å; D1205-Q1208 HydrophobicContact CB-CG 4.04Å; D1205-Q1208 PolarHBondContact O-N 2.78Å; D1205-Q1208 VanDerWaalsContact OD2-CG 3.28Å; D1205-Q1208 WeakPolarHBondContact OD2-CG 3.45Å; D1205-Q1208 PolarHBondContact OD2-NE2 2.8Å; D1205-T1209 PolarHBondContact O-N 2.8Å; D1205-T1209 PolarHBondContact O-OG1 2.68Å; D1205-T1209 VanDerWaalsContact O-OG1 3.06Å
1206	R	34.6	Very low	36.8	Very low	216 Å²	216	122.1 Å²	122.1	82%	0.815	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-20.6	178.3	-145.6	177.8	-169.9	-167.8	3.6	112.9	N1204 T1209 T1210	N1204-R1206 PolarHBondContact O-N 3.38Å; R1206-T1209 WeakPolarHBondContact CA-OG1 3.29Å; R1206-T1209 PolarHBondContact O-OG1 3.32Å; R1206-T1210 PolarHBondContact O-OG1 2.84Å
1207	R	37	Very low	38.6	Very low	184 Å²	184	119 Å²	119	69%	0.694	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-53.9	171.6	-69	-174.6	172.4	-167.4	-1.5	110.6	D1205 T1209 T1210 T1211	D1205-R1207 VanDerWaalsContact C-N 3.27Å; D1205-R1207 PolarHBondContact O-N 2.8Å; D1205-R1207 WeakPolarHBondContact OD1-CB 3.35Å; D1205-R1207 PolarHBondContact OD1-N 2.84Å; R1207-T1209 VanDerWaalsContact C-N 3.31Å; R1207-T1209 PolarHBondContact O-N 3.45Å; R1207-T1210 WeakPolarHBondContact O-CA 3.22Å; R1207-T1210 VanDerWaalsContact O-CB 3.31Å; R1207-T1210 WeakPolarHBondContact O-CB 3.48Å; R1207-T1210 PolarHBondContact O-N 3.09Å; R1207-T1211 PolarHBondContact O-N 3.14Å; R1207-T1211 VanDerWaalsContact O-N 3.17Å; R1207-T1211 PolarHBondContact O-OG1 3.02Å
1208	Q	37.3	Very low	40	Very low	89 Å²	89	111 Å²	111	42%	0.416	57%	0.569	S	S	.	*	H	α-helix	trans	-52.6	-44.7	178.3	-74.3	167.2	38	0	0	113.4	S1203 D1205 T1210 T1211 M1212	S1203-Q1208 PolarHBondContact OG-OE1 3Å; D1205-Q1208 HydrophobicContact CB-CB 4.11Å; D1205-Q1208 HydrophobicContact CB-CG 4.04Å; D1205-Q1208 PolarHBondContact O-N 2.78Å; D1205-Q1208 VanDerWaalsContact OD2-CG 3.28Å; D1205-Q1208 WeakPolarHBondContact OD2-CG 3.45Å; D1205-Q1208 PolarHBondContact OD2-NE2 2.8Å; Q1208-T1210 PolarHBondContact O-N 3.21Å; Q1208-T1211 PolarHBondContact O-N 2.9Å; Q1208-M1212 WeakPolarHBondContact O-CG 3.25Å; Q1208-M1212 PolarHBondContact O-N 3.43Å
1209	T	41.9	Very low	41.1	Very low	62 Å²	62	113 Å²	113	38%	0.38	56%	0.561	S	S	.	*	H	α-helix	trans	-65.9	-18.5	177.1	46.8	0	0	0	0	114.1	D1205 R1206 R1207 K1213	D1205-T1209 PolarHBondContact O-N 2.8Å; D1205-T1209 PolarHBondContact O-OG1 2.68Å; D1205-T1209 VanDerWaalsContact O-OG1 3.06Å; R1206-T1209 WeakPolarHBondContact CA-OG1 3.29Å; R1206-T1209 PolarHBondContact O-OG1 3.32Å; R1207-T1209 VanDerWaalsContact C-N 3.31Å; R1207-T1209 PolarHBondContact O-N 3.45Å; T1209-K1213 WeakPolarHBondContact O-CG 3.19Å
1210	T	48.9	Very low	42.9	Very low	69 Å²	69	109.3 Å²	109.3	42%	0.423	54%	0.539	S	S	.	.	H	α-helix	trans	-83.5	-44.5	173.9	-57.8	0	0	0	0	111.2	R1206 R1207 Q1208 M1212 K1213 R1214	R1206-T1210 PolarHBondContact O-OG1 2.84Å; R1207-T1210 WeakPolarHBondContact O-CA 3.22Å; R1207-T1210 VanDerWaalsContact O-CB 3.31Å; R1207-T1210 WeakPolarHBondContact O-CB 3.48Å; R1207-T1210 PolarHBondContact O-N 3.09Å; Q1208-T1210 PolarHBondContact O-N 3.21Å; T1210-M1212 PolarHBondContact O-N 2.82Å; T1210-K1213 PolarHBondContact O-N 2.81Å; T1210-R1214 PolarHBondContact O-N 3.01Å
1211	T	43.5	Very low	44.3	Very low	54 Å²	54	108.8 Å²	108.8	33%	0.331	52%	0.524	S	S	.	.	H	α-helix	trans	-62.5	-42.9	176.6	-40.6	0	0	0	0	111.4	R1207 Q1208 K1213 R1214 L1215	R1207-T1211 PolarHBondContact O-N 3.14Å; R1207-T1211 VanDerWaalsContact O-N 3.17Å; R1207-T1211 PolarHBondContact O-OG1 3.02Å; Q1208-T1211 PolarHBondContact O-N 2.9Å; T1211-K1213 VanDerWaalsContact C-N 3.32Å; T1211-K1213 PolarHBondContact O-N 3.21Å; T1211-R1214 WeakPolarHBondContact O-CB 3.48Å; T1211-R1214 PolarHBondContact O-N 2.75Å; T1211-R1214 VanDerWaalsContact O-N 3.12Å; T1211-L1215 PolarHBondContact O-N 3.49Å
1212	M	42.8	Very low	45.1	Very low	129 Å²	129	106.6 Å²	106.6	64%	0.635	51%	0.506	S	S	*	.	H	α-helix	trans	-58.6	-40.2	174.8	-72.7	-69.8	-78.2	0	0	112.7	Q1208 T1210 L1215 S1216	Q1208-M1212 WeakPolarHBondContact O-CG 3.25Å; Q1208-M1212 PolarHBondContact O-N 3.43Å; T1210-M1212 PolarHBondContact O-N 2.82Å; M1212-L1215 PolarHBondContact O-N 2.93Å; M1212-S1216 PolarHBondContact O-N 2.94Å; M1212-S1216 PolarHBondContact O-OG 3.19Å
1213	K	51.1	Low	46.3	Very low	149 Å²	149	102.9 Å²	102.9	65%	0.648	49%	0.486	S	S	*	.	H	α-helix	trans	-68.6	-33.3	175.4	-77.3	176.4	178.8	179.6	0	113.3	T1209 T1210 T1211 S1216 N1217	T1209-K1213 WeakPolarHBondContact O-CG 3.19Å; T1210-K1213 PolarHBondContact O-N 2.81Å; T1211-K1213 VanDerWaalsContact C-N 3.32Å; T1211-K1213 PolarHBondContact O-N 3.21Å; K1213-S1216 PolarHBondContact O-OG 2.87Å; K1213-S1216 VanDerWaalsContact O-OG 3.06Å; K1213-N1217 PolarHBondContact O-N 2.71Å
1214	R	53.6	Low	47.4	Very low	109 Å²	109	105.1 Å²	105.1	41%	0.411	49%	0.489	S	S	.	.	H	α-helix	trans	-66.8	-44.9	173.6	-71.3	178.5	172.3	-177.9	-5.8	110.7	T1210 T1211 N1217 I1218 L1309 D1313	T1210-R1214 PolarHBondContact O-N 3.01Å; T1211-R1214 WeakPolarHBondContact O-CB 3.48Å; T1211-R1214 PolarHBondContact O-N 2.75Å; T1211-R1214 VanDerWaalsContact O-N 3.12Å; R1214-N1217 PolarHBondContact O-N 3.49Å; R1214-I1218 PolarHBondContact O-N 2.97Å; R1214-I1218 VanDerWaalsContact O-N 3.11Å; R1214-L1309 HydrophobicContact CB-CD1 4.32Å; R1214-L1309 HydrophobicContact CB-CD2 4.12Å; R1214-D1313 IonicContact CZ-OD1 3.28Å; R1214-D1313 IonicContact CZ-OD2 3.64Å; R1214-D1313 IonicContact NH1-OD1 3.56Å; R1214-D1313 PolarHBondContact NH1-OD1 2.75Å; R1214-D1313 IonicContact NH1-OD2 3Å; R1214-D1313 PolarHBondContact NH1-OD2 3.35Å
1215	L	47.7	Very low	48.4	Very low	83 Å²	83	96.7 Å²	96.7	44%	0.435	44%	0.444	S	S	.	.	H	α-helix	trans	-63.5	-42.5	176.3	-69.8	170.1	0	0	0	112.6	T1211 M1212 N1217 I1218 R1219	T1211-L1215 PolarHBondContact O-N 3.49Å; M1212-L1215 PolarHBondContact O-N 2.93Å; L1215-N1217 PolarHBondContact O-N 2.9Å; L1215-I1218 PolarHBondContact O-N 2.82Å; L1215-R1219 PolarHBondContact O-N 3.2Å
1216	S	51.9	Low	48.9	Very low	67 Å²	67	97.5 Å²	97.5	47%	0.469	45%	0.446	S	S	.	.	H	α-helix	trans	-63.4	-41.3	177.4	66.8	0	0	0	0	112.6	M1212 K1213 I1218 R1219 E1220	M1212-S1216 PolarHBondContact O-N 2.94Å; M1212-S1216 PolarHBondContact O-OG 3.19Å; K1213-S1216 PolarHBondContact O-OG 2.87Å; K1213-S1216 VanDerWaalsContact O-OG 3.06Å; S1216-I1218 VanDerWaalsContact C-N 3.3Å; S1216-I1218 PolarHBondContact O-N 3.12Å; S1216-R1219 PolarHBondContact O-N 3.26Å; S1216-E1220 PolarHBondContact O-N 3.48Å; S1216-E1220 VanDerWaalsContact O-N 3.09Å
1217	N	62	Low	49.7	Very low	108 Å²	108	91.4 Å²	91.4	58%	0.578	43%	0.427	S	S	*	.	H	α-helix	trans	-62	-36.8	173.9	-87.3	-13.7	0	0	0	112.4	K1213 R1214 L1215 E1220 K1221	K1213-N1217 PolarHBondContact O-N 2.71Å; R1214-N1217 PolarHBondContact O-N 3.49Å; L1215-N1217 PolarHBondContact O-N 2.9Å; N1217-E1220 PolarHBondContact O-N 2.9Å; N1217-K1221 WeakPolarHBondContact O-CG 3.24Å; N1217-K1221 PolarHBondContact O-N 2.9Å
1218	I	55.9	Low	50.3	Low	17 Å²	17	86.3 Å²	86.3	9%	0.087	41%	0.413	C	S	.	.	H	α-helix	trans	-70	-41.9	177.2	-76.1	174.2	0	0	0	111.5	R1214 L1215 S1216 E1220 K1221 L1222 D1305 L1306 L1309	R1214-I1218 PolarHBondContact O-N 2.97Å; R1214-I1218 VanDerWaalsContact O-N 3.11Å; L1215-I1218 PolarHBondContact O-N 2.82Å; S1216-I1218 VanDerWaalsContact C-N 3.3Å; S1216-I1218 PolarHBondContact O-N 3.12Å; I1218-E1220 VanDerWaalsContact C-N 3.28Å; I1218-E1220 PolarHBondContact O-N 3.36Å; I1218-K1221 PolarHBondContact O-N 2.8Å; I1218-L1222 HydrophobicContact CG2-CD1 4.01Å; I1218-L1222 WeakPolarHBondContact O-CB 3.29Å; I1218-L1222 PolarHBondContact O-N 2.89Å; I1218-D1305 HydrophobicContact CD1-CB 4.31Å; I1218-L1306 HydrophobicContact CD1-CD1 4.31Å; I1218-L1306 HydrophobicContact CG2-CD1 3.59Å; I1218-L1309 HydrophobicContact CD1-CD1 3.3Å
1219	R	49.8	Very low	50.5	Low	147 Å²	147	85.1 Å²	85.1	56%	0.555	41%	0.41	S	S	*	.	H	α-helix	trans	-57.4	-42.9	173.5	-170	177.5	-172.4	176.4	5.9	111.3	L1215 S1216 L1222 R1223 D1524	L1215-R1219 PolarHBondContact O-N 3.2Å; S1216-R1219 PolarHBondContact O-N 3.26Å; R1219-L1222 PolarHBondContact O-N 3.32Å; R1219-R1223 PolarHBondContact O-N 2.85Å; R1219-D1524 IonicContact CZ-OD2 2.76Å; R1219-D1524 IonicContact NH2-OD2 2.66Å; R1219-D1524 PolarHBondContact NH2-OD2 3.03Å
1220	E	63.1	Low	50.4	Low	105 Å²	105	84.6 Å²	84.6	49%	0.491	41%	0.412	S	S	.	.	H	α-helix	trans	-73.8	-32.4	-179.7	-154.9	-179	125.1	0	0	113.3	S1216 N1217 I1218 K1224	S1216-E1220 PolarHBondContact O-N 3.48Å; S1216-E1220 VanDerWaalsContact O-N 3.09Å; N1217-E1220 PolarHBondContact O-N 2.9Å; I1218-E1220 VanDerWaalsContact C-N 3.28Å; I1218-E1220 PolarHBondContact O-N 3.36Å; E1220-K1224 WeakPolarHBondContact O-CG 3.39Å; E1220-K1224 PolarHBondContact O-N 2.72Å; E1220-K1224 IonicContact OE1-NZ 2.6Å; E1220-K1224 PolarHBondContact OE1-NZ 3.49Å
1221	K	57	Low	50.2	Low	88 Å²	88	85 Å²	85	38%	0.383	42%	0.417	S	S	.	.	H	α-helix	trans	-63.7	-44.8	168.4	-77.7	-171.8	175.2	-166.8	0	111.9	N1217 I1218 K1224 S1225 T1302 D1305	N1217-K1221 WeakPolarHBondContact O-CG 3.24Å; N1217-K1221 PolarHBondContact O-N 2.9Å; I1218-K1221 PolarHBondContact O-N 2.8Å; K1221-K1224 PolarHBondContact O-N 2.81Å; K1221-S1225 PolarHBondContact O-N 3.47Å; K1221-T1302 HydrophobicContact CB-CG2 3.34Å; K1221-T1302 HydrophobicContact CD-CG2 3.76Å; K1221-T1302 HydrophobicContact CG-CG2 4.22Å; K1221-D1305 IonicContact NZ-OD2 2.99Å; K1221-D1305 PolarHBondContact NZ-OD2 3.45Å
1222	L	48	Very low	49.9	Very low	59 Å²	59	84.8 Å²	84.8	31%	0.309	42%	0.421	S	S	.	.	H	α-helix	trans	-60.2	-50.7	178.4	-83.1	164.8	0	0	0	111	I1218 R1219 K1224 S1225 Q1226 L1299 T1302	I1218-L1222 HydrophobicContact CG2-CD1 4.01Å; I1218-L1222 WeakPolarHBondContact O-CB 3.29Å; I1218-L1222 PolarHBondContact O-N 2.89Å; R1219-L1222 PolarHBondContact O-N 3.32Å; L1222-K1224 VanDerWaalsContact C-N 3.31Å; L1222-K1224 PolarHBondContact O-N 3.17Å; L1222-S1225 WeakPolarHBondContact O-CA 3.4Å; L1222-S1225 WeakPolarHBondContact O-CB 3.27Å; L1222-S1225 PolarHBondContact O-N 2.94Å; L1222-Q1226 PolarHBondContact O-N 2.85Å; L1222-L1299 HydrophobicContact CD2-CD1 4.05Å; L1222-T1302 HydrophobicContact CG-CG2 4.3Å
1223	R	50.3	Low	49.5	Very low	138 Å²	138	88.4 Å²	88.4	52%	0.521	43%	0.428	S	S	.	.	H	α-helix	trans	-52.5	-47.2	175.3	178.7	-177.3	161	130.9	10.2	112.1	R1219 S1225 Q1226 E1227	R1219-R1223 PolarHBondContact O-N 2.85Å; R1223-S1225 VanDerWaalsContact C-N 3.33Å; R1223-S1225 PolarHBondContact O-N 3.16Å; R1223-Q1226 WeakPolarHBondContact O-CA 3.38Å; R1223-Q1226 VanDerWaalsContact O-CB 3.29Å; R1223-Q1226 WeakPolarHBondContact O-CB 3.23Å; R1223-Q1226 PolarHBondContact O-N 3.03Å; R1223-E1227 HydrophobicContact CG-CG 4.46Å; R1223-E1227 IonicContact CZ-OE1 3.17Å; R1223-E1227 IonicContact NE-OE1 3.79Å; R1223-E1227 PolarHBondContact NE-OE1 2.97Å; R1223-E1227 IonicContact NH2-OE1 2.73Å; R1223-E1227 PolarHBondContact NH2-OE1 2.74Å; R1223-E1227 WeakPolarHBondContact O-CG 3.08Å; R1223-E1227 PolarHBondContact O-N 2.95Å
1224	K	56.8	Low	48.8	Very low	98 Å²	98	88.9 Å²	88.9	43%	0.426	43%	0.432	S	S	.	.	H	α-helix	trans	-67.4	-31.7	179.4	-74	167	178.6	167.9	0	112.9	E1220 K1221 L1222 Q1226 N1228	E1220-K1224 WeakPolarHBondContact O-CG 3.39Å; E1220-K1224 PolarHBondContact O-N 2.72Å; E1220-K1224 IonicContact OE1-NZ 2.6Å; E1220-K1224 PolarHBondContact OE1-NZ 3.49Å; K1221-K1224 PolarHBondContact O-N 2.81Å; L1222-K1224 VanDerWaalsContact C-N 3.31Å; L1222-K1224 PolarHBondContact O-N 3.17Å; K1224-Q1226 VanDerWaalsContact C-N 3.31Å; K1224-N1228 WeakPolarHBondContact O-CB 2.9Å; K1224-N1228 PolarHBondContact O-N 2.65Å; K1224-N1228 VanDerWaalsContact O-N 3.08Å; K1224-N1228 PolarHBondContact O-ND2 3.39Å; K1224-N1228 VanDerWaalsContact O-ND2 3.07Å
1225	S	48.4	Very low	48.1	Very low	3 Å²	3	87 Å²	87	2%	0.021	45%	0.446	C	S	.	.	H	α-helix	trans	-67.6	-32	170.1	-168.6	0	0	0	0	112.3	K1221 L1222 R1223 L1229	K1221-S1225 PolarHBondContact O-N 3.47Å; L1222-S1225 WeakPolarHBondContact O-CA 3.4Å; L1222-S1225 WeakPolarHBondContact O-CB 3.27Å; L1222-S1225 PolarHBondContact O-N 2.94Å; R1223-S1225 VanDerWaalsContact C-N 3.33Å; R1223-S1225 PolarHBondContact O-N 3.16Å; S1225-L1229 WeakPolarHBondContact O-CB 3.22Å; S1225-L1229 WeakPolarHBondContact O-CG 3.33Å; S1225-L1229 PolarHBondContact O-N 2.84Å
1226	Q	44.4	Very low	47.3	Very low	74 Å²	74	87.7 Å²	87.7	35%	0.346	46%	0.458	S	S	.	.	H	α-helix	trans	-74.1	-45.4	178.3	-150.7	171.3	-4.6	0	0	111	L1222 R1223 K1224 N1228 L1229 A1230 D1526	L1222-Q1226 PolarHBondContact O-N 2.85Å; R1223-Q1226 WeakPolarHBondContact O-CA 3.38Å; R1223-Q1226 VanDerWaalsContact O-CB 3.29Å; R1223-Q1226 WeakPolarHBondContact O-CB 3.23Å; R1223-Q1226 PolarHBondContact O-N 3.03Å; K1224-Q1226 VanDerWaalsContact C-N 3.31Å; Q1226-N1228 VanDerWaalsContact C-N 3.34Å; Q1226-N1228 PolarHBondContact O-N 2.71Å; Q1226-L1229 PolarHBondContact O-N 3.02Å; Q1226-A1230 PolarHBondContact O-N 2.85Å; Q1226-D1526 PolarHBondContact NE2-O 2.89Å
1227	E	52.8	Low	46.3	Very low	87 Å²	87	89.1 Å²	89.1	41%	0.407	47%	0.468	S	S	.	.	H	α-helix	trans	-57.3	-44.3	172	-70.5	168.4	162.8	0	0	111.4	R1223 S1231	R1223-E1227 HydrophobicContact CG-CG 4.46Å; R1223-E1227 IonicContact CZ-OE1 3.17Å; R1223-E1227 IonicContact NE-OE1 3.79Å; R1223-E1227 PolarHBondContact NE-OE1 2.97Å; R1223-E1227 IonicContact NH2-OE1 2.73Å; R1223-E1227 PolarHBondContact NH2-OE1 2.74Å; R1223-E1227 WeakPolarHBondContact O-CG 3.08Å; R1223-E1227 PolarHBondContact O-N 2.95Å; E1227-S1231 PolarHBondContact O-N 3.48Å
1228	N	48.4	Very low	44.6	Very low	77 Å²	77	93 Å²	93	41%	0.412	48%	0.483	S	S	.	.	H	α-helix	trans	-66.2	-43.1	175.2	-72	-29.8	0	0	0	112.5	K1224 Q1226 S1231 A1232 Q1298	K1224-N1228 WeakPolarHBondContact O-CB 2.9Å; K1224-N1228 PolarHBondContact O-N 2.65Å; K1224-N1228 VanDerWaalsContact O-N 3.08Å; K1224-N1228 PolarHBondContact O-ND2 3.39Å; K1224-N1228 VanDerWaalsContact O-ND2 3.07Å; Q1226-N1228 VanDerWaalsContact C-N 3.34Å; Q1226-N1228 PolarHBondContact O-N 2.71Å; N1228-S1231 PolarHBondContact O-N 2.93Å; N1228-S1231 PolarHBondContact O-OG 3.27Å; N1228-A1232 PolarHBondContact O-N 3.02Å; N1228-A1232 VanDerWaalsContact O-N 3.15Å; N1228-Q1298 PolarHBondContact ND2-NE2 3.24Å; N1228-Q1298 PolarHBondContact ND2-OE1 3.11Å
1229	L	42	Very low	43.4	Very low	65 Å²	65	101.5 Å²	101.5	34%	0.34	52%	0.522	S	S	.	.	H	α-helix	trans	-62.4	-44.5	178.3	-90.8	167.8	0	0	0	112.6	S1225 Q1226 S1231 A1232 W1233 P1296	S1225-L1229 WeakPolarHBondContact O-CB 3.22Å; S1225-L1229 WeakPolarHBondContact O-CG 3.33Å; S1225-L1229 PolarHBondContact O-N 2.84Å; Q1226-L1229 PolarHBondContact O-N 3.02Å; L1229-S1231 VanDerWaalsContact C-N 3.35Å; L1229-S1231 PolarHBondContact O-N 3.06Å; L1229-A1232 PolarHBondContact O-N 2.97Å; L1229-W1233 PolarHBondContact O-N 2.96Å; L1229-W1233 VanDerWaalsContact O-N 3.08Å; L1229-P1296 HydrophobicContact CD1-CG 4.24Å; L1229-P1296 HydrophobicContact CD2-CG 3.8Å; L1229-P1296 HydrophobicContact CG-CG 4.15Å
1230	A	40.7	Very low	42.4	Very low	51 Å²	51	98.8 Å²	98.8	42%	0.421	53%	0.531	S	S	.	.	H	α-helix	trans	-57.1	-48.8	175.9	0	0	0	0	0	111	Q1226 A1232 W1233 E1234	Q1226-A1230 PolarHBondContact O-N 2.85Å; A1230-A1232 PolarHBondContact O-N 3.27Å; A1230-W1233 PolarHBondContact O-N 2.84Å; A1230-E1234 PolarHBondContact O-N 2.78Å
1231	S	44.1	Very low	40.7	Very low	77 Å²	77	101.6 Å²	101.6	54%	0.538	55%	0.549	S	S	.	.	H	α-helix	trans	-61.8	-28.6	178.7	74.7	0	0	0	0	114.1	E1227 N1228 L1229 G1235	E1227-S1231 PolarHBondContact O-N 3.48Å; N1228-S1231 PolarHBondContact O-N 2.93Å; N1228-S1231 PolarHBondContact O-OG 3.27Å; L1229-S1231 VanDerWaalsContact C-N 3.35Å; L1229-S1231 PolarHBondContact O-N 3.06Å; S1231-G1235 PolarHBondContact O-N 3.2Å
1232	A	36.9	Very low	39.5	Very low	50 Å²	50	102.2 Å²	102.2	41%	0.413	56%	0.564	S	S	.	*	H	α-helix	trans	-79.3	-33.2	177.3	0	0	0	0	0	112.9	N1228 L1229 A1230 S1236	N1228-A1232 PolarHBondContact O-N 3.02Å; N1228-A1232 VanDerWaalsContact O-N 3.15Å; L1229-A1232 PolarHBondContact O-N 2.97Å; A1230-A1232 PolarHBondContact O-N 3.27Å; A1232-S1236 PolarHBondContact O-OG 3.25Å
1233	W	35	Very low	38.5	Very low	204 Å²	204	105.5 Å²	105.5	77%	0.773	59%	0.592	S	S	*	*	H	α-helix	trans	-78	-41.2	176.6	-97.1	13	0	0	0	113	L1229 A1230 G1235 S1236	L1229-W1233 PolarHBondContact O-N 2.96Å; L1229-W1233 VanDerWaalsContact O-N 3.08Å; A1230-W1233 PolarHBondContact O-N 2.84Å; W1233-G1235 PolarHBondContact O-N 3.49Å; W1233-S1236 PolarHBondContact O-N 2.76Å; W1233-S1236 VanDerWaalsContact O-N 3.14Å
1234	E	37.1	Very low	37.5	Very low	160 Å²	160	102.2 Å²	102.2	75%	0.748	60%	0.601	S	S	*	*	H	α-helix	trans	-62.6	-30.5	175	-69.2	-171.3	136	0	0	112.2	A1230 S1236	A1230-E1234 PolarHBondContact O-N 2.78Å; E1234-S1236 VanDerWaalsContact C-N 3.27Å; E1234-S1236 PolarHBondContact O-N 2.86Å
1235	G	38.1	Very low	36.2	Very low	68 Å²	68	105 Å²	105	70%	0.701	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-3.4	175.7	0	0	0	0	0	116.3	S1231 W1233	S1231-G1235 PolarHBondContact O-N 3.2Å; W1233-G1235 PolarHBondContact O-N 3.49Å
1236	S	31.4	Very low	35.3	Very low	98 Å²	98	112.8 Å²	112.8	69%	0.685	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.9	9.7	-166	-60.6	0	0	0	0	115.5	A1232 W1233 E1234	A1232-S1236 PolarHBondContact O-OG 3.25Å; W1233-S1236 PolarHBondContact O-N 2.76Å; W1233-S1236 VanDerWaalsContact O-N 3.14Å; E1234-S1236 VanDerWaalsContact C-N 3.27Å; E1234-S1236 PolarHBondContact O-N 2.86Å
1237	S	29.4	Very low	34.8	Very low	97 Å²	97	116.3 Å²	116.3	68%	0.678	68%	0.679	S	S	*	*	S	Bend	trans	-146.9	25.8	-169.9	56.4	0	0	0	0	117.2
1238	Q	28.3	Very low	33.7	Very low	190 Å²	190	122.5 Å²	122.5	89%	0.888	70%	0.699	S	S	*	*			trans	-139.6	84.4	167	-76.2	-163.1	-4.4	0	0	113.5
1239	E	29.1	Very low	32.7	Very low	195 Å²	195	123.5 Å²	123.5	91%	0.911	71%	0.712	S	S	*	*			trans	-157.7	161.1	153.5	-127	173.2	-150.6	0	0	111.2
1240	A	28.8	Very low	32.2	Very low	90 Å²	90	131.7 Å²	131.7	74%	0.744	74%	0.738	S	S	*	*			trans	62.9	128.7	-173.4	0	0	0	0	0	116
1241	L	27.6	Very low	31.8	Very low	165 Å²	165	133.6 Å²	133.6	86%	0.864	75%	0.749	S	S	*	*			cis	-155.6	158.1	-9.8	-86.3	171	0	0	0	105.9
1242	S	31.5	Very low	31.1	Very low	101 Å²	101	136.1 Å²	136.1	71%	0.706	76%	0.761	S	S	*	*			cis	-161.8	148.6	-11.1	45.9	0	0	0	0	109.3
1243	S	27.9	Very low	31	Very low	127 Å²	127	138.6 Å²	138.6	89%	0.888	78%	0.782	S	S	*	*			trans	-93.4	124.1	166.3	52.3	0	0	0	0	110.5
1244	G	28.2	Very low	30.9	Very low	69 Å²	69	133.6 Å²	133.6	71%	0.711	78%	0.777	S	S	*	*			trans	117.9	108.8	162.2	0	0	0	0	0	115.8
1245	L	30.1	Very low	30.6	Very low	156 Å²	156	132.7 Å²	132.7	82%	0.817	78%	0.777	S	S	*	*			trans	-159.6	150.5	135.2	-107.7	169.7	0	0	0	110.8
1246	M	30.5	Very low	30.2	Very low	168 Å²	168	135.8 Å²	135.8	83%	0.828	77%	0.773	S	S	*	*			trans	63.3	109.9	157.4	-76.2	159.5	179.7	0	0	121.5
1247	N	32.4	Very low	30.1	Very low	147 Å²	147	141.9 Å²	141.9	79%	0.786	78%	0.781	S	S	*	*			trans	-42.5	149.5	151.4	-94.9	-62.5	0	0	0	115.6
1248	R	29.4	Very low	30.1	Very low	218 Å²	218	140.2 Å²	140.2	82%	0.823	78%	0.779	S	S	*	*			trans	71	90.9	143	-70.2	-179.2	178.5	-162.2	-1.1	120.9
1249	S	28.5	Very low	30.3	Very low	98 Å²	98	138.9 Å²	138.9	69%	0.685	78%	0.777	S	S	*	*				87	133.8	103.3	74.9	0	0	0	0	122.8
1250	R	30.8	Very low	30.3	Very low	236 Å²	236	134.2 Å²	134.2	89%	0.891	77%	0.765	S	S	*	*			trans	72.7	145.7	152.4	-69.5	176.2	179.4	-170.2	-0.8	118.1
1251	S	32.3	Very low	30.3	Very low	92 Å²	92	135.3 Å²	135.3	64%	0.643	76%	0.763	S	S	*	*			cis	-170	143.8	-16.4	47.7	0	0	0	0	114
1252	T	30.5	Very low	30.5	Very low	129 Å²	129	133.5 Å²	133.5	79%	0.791	76%	0.759	S	S	*	*			trans	57	120.2	142.5	55.9	0	0	0	0	123.5
1253	A	33.9	Very low	30.5	Very low	103 Å²	103	133 Å²	133	85%	0.851	76%	0.756	S	S	*	*			trans	70.7	162.8	140.7	0	0	0	0	0	118.6
1254	S	33.4	Very low	30.7	Very low	98 Å²	98	133.5 Å²	133.5	69%	0.685	75%	0.748	S	S	*	*			cis	-154.5	161.6	6.5	72.2	0	0	0	0	114.8
1255	L	31.6	Very low	30.9	Very low	141 Å²	141	136.9 Å²	136.9	74%	0.738	75%	0.749	S	S	*	*			trans	62.2	114.6	142	-75.4	164	0	0	0	125.1
1256	Q	30	Very low	31	Very low	134 Å²	134	134.7 Å²	134.7	63%	0.626	75%	0.747	S	S	*	*				68.9	131.4	122.4	-94.3	-172.1	27.2	0	0	125.1
1257	R	29.1	Very low	31.1	Very low	226 Å²	226	130.2 Å²	130.2	85%	0.853	74%	0.744	S	S	*	*			trans	68.3	152.5	158	-53.9	171.9	-150.7	-150.6	5.4	115.5
1258	G	28.9	Very low	31.1	Very low	61 Å²	61	132.8 Å²	132.8	63%	0.629	75%	0.751	S	S	*	*			cis	168.4	179.1	-3.5	0	0	0	0	0	109.9
1259	I	32.3	Very low	31.1	Very low	163 Å²	163	130.8 Å²	130.8	84%	0.836	75%	0.751	S	S	*	*			trans	72.3	109.9	172.7	-50.3	171.8	0	0	0	112.1
1260	S	28.6	Very low	31.4	Very low	96 Å²	96	130.5 Å²	130.5	67%	0.671	75%	0.747	S	S	*	*				65	143.2	66.2	81.2	0	0	0	0	113.7
1261	T	30	Very low	31.2	Very low	113 Å²	113	127 Å²	127	69%	0.693	75%	0.745	S	S	*	*			cis	-166.7	170.6	6	-4.3	0	0	0	0	109.7
1262	T	31.5	Very low	31.3	Very low	127 Å²	127	127.5 Å²	127.5	78%	0.779	75%	0.746	S	S	*	*			trans	64	154.8	154.1	46.6	0	0	0	0	119.9
1263	S	30.9	Very low	31.4	Very low	92 Å²	92	129.7 Å²	129.7	64%	0.643	75%	0.752	S	S	*	*			cis	-174.1	-179.5	-18.4	53.2	0	0	0	0	111.8
1264	L	32.7	Very low	31.1	Very low	137 Å²	137	127.7 Å²	127.7	72%	0.717	74%	0.74	S	S	*	*			trans	85.3	117.3	154.6	-64.8	159.7	0	0	0	121.7
1265	N	32.5	Very low	30.8	Very low	139 Å²	139	128.4 Å²	128.4	74%	0.743	75%	0.746	S	S	*	*				63.6	152.1	125.4	-65.4	13.6	0	0	0	122.2
1266	S	30.7	Very low	30.6	Very low	111 Å²	111	131.4 Å²	131.4	78%	0.776	75%	0.747	S	S	*	*			cis	-177.7	149.7	-18.6	53	0	0	0	0	111.6
1267	G	32.6	Very low	30.4	Very low	74 Å²	74	134 Å²	134	76%	0.763	75%	0.751	S	S	*	*			trans	122.6	148.9	142	0	0	0	0	0	120.3
1268	Q	32.8	Very low	30.3	Very low	201 Å²	201	130.7 Å²	130.7	94%	0.939	75%	0.745	S	S	*	*			trans	75.8	87.4	157.1	-62.1	-171.8	-41.8	0	0	121.3
1269	E	29.1	Very low	30.2	Very low	175 Å²	175	135.7 Å²	135.7	82%	0.818	76%	0.757	S	S	*	*			trans	-53.6	-176.4	136.7	-115.7	-171.9	-163.3	0	0	113.6
1270	P	34.7	Very low	30	Very low	93 Å²	93	131.3 Å²	131.3	60%	0.604	75%	0.745	S	S	*	*			cis	-142.7	164.1	-8.1	30.3	-7.3	0	0	0	118.8
1271	L	28.1	Very low	29.9	Very low	161 Å²	161	138.5 Å²	138.5	84%	0.843	76%	0.757	S	S	*	*			trans	62.9	164.8	138.9	-67.1	171.5	0	0	0	122.8
1272	P	34.4	Very low	29.8	Very low	104 Å²	104	138.3 Å²	138.3	68%	0.675	76%	0.761	S	S	*	*			trans	-128.7	156.3	-150.9	43	-29.5	0	0	0	119.2
1273	I	31.3	Very low	29.8	Very low	175 Å²	175	138.3 Å²	138.3	90%	0.897	76%	0.76	S	S	*	*			trans	-143.1	148	153.1	-69.8	100.2	0	0	0	105.4
1274	G	28.4	Very low	29.9	Very low	60 Å²	60	137.1 Å²	137.1	62%	0.619	76%	0.763	S	S	*	*			cis	136.6	115.8	1.4	0	0	0	0	0	111.3
1275	S	26.9	Very low	29.8	Very low	114 Å²	114	141.4 Å²	141.4	80%	0.797	77%	0.771	S	S	*	*			trans	72	122.3	170.1	-61.9	0	0	0	0	120.9
1276	R	26.4	Very low	29.4	Very low	204 Å²	204	141.3 Å²	141.3	77%	0.77	77%	0.769	S	S	*	*			trans	73.8	123.6	132.6	-73	-179.5	171.7	-170.6	-1.9	121.5
1277	R	26.5	Very low	29.4	Very low	188 Å²	188	142 Å²	142	71%	0.709	77%	0.772	S	S	*	*				91.9	116.2	128	-79.9	176.7	172.8	-179.8	-3.6	120.7
1278	H	27.3	Very low	29.1	Very low	157 Å²	157	144.6 Å²	144.6	73%	0.727	77%	0.773	S	S	*	*			trans	85.9	137.1	131.1	-75.7	-53.3	0	0	0	121.1
1279	L	27.4	Very low	29	Very low	166 Å²	166	137.9 Å²	137.9	87%	0.869	76%	0.758	S	S	*	*			trans	73.4	148.3	161.8	-57.6	153.6	0	0	0	116.9
1280	A	28.1	Very low	28.8	Very low	71 Å²	71	136.6 Å²	136.6	59%	0.587	76%	0.762	S	S	*	*			cis	-172.8	140.5	-28.2	0	0	0	0	0	111
1281	R	26	Very low	28.7	Very low	246 Å²	246	139.4 Å²	139.4	93%	0.928	77%	0.772	S	S	*	*			trans	63.2	156.2	160.6	-67.4	170.2	174.1	165.8	-3.4	114.8
1282	S	28.3	Very low	28.8	Very low	110 Å²	110	139.9 Å²	139.9	77%	0.769	77%	0.769	S	S	*	*			cis	-150	-179.8	-3.3	42	0	0	0	0	106.8
1283	V	31.7	Very low	28.8	Very low	126 Å²	126	140 Å²	140	76%	0.764	77%	0.771	S	S	*	*			cis	-147.5	124.1	26.6	175.2	0	0	0	0	106.9
1284	G	31.1	Very low	28.7	Very low	68 Å²	68	142.4 Å²	142.4	70%	0.701	77%	0.769	S	S	*	*				95.4	139.9	99.1	0	0	0	0	0	111.3
1285	Y	30.9	Very low	29	Very low	226 Å²	226	142.3 Å²	142.3	89%	0.886	76%	0.756	S	S	*	*			cis	-131.3	157.7	7.8	-105.7	-105.6	0	0	0	111.2
1286	L	24.9	Very low	29.6	Very low	137 Å²	137	138.1 Å²	138.1	72%	0.717	73%	0.726	S	S	*	*			trans	-87	158.7	173.9	-77.8	88.9	0	0	0	112	T1288	L1286-T1288 HydrophobicContact CD2-CG2 3.81Å
1287	P	29.6	Very low	30.4	Very low	127 Å²	127	138.9 Å²	138.9	83%	0.825	73%	0.729	S	S	*	*				-115.2	165.8	103.4	34.6	-36.1	0	0	0	113.3
1288	T	27.9	Very low	31.3	Very low	128 Å²	128	134.2 Å²	134.2	79%	0.785	72%	0.715	S	S	*	*			trans	-101.1	127.1	-177.2	50.7	0	0	0	0	112.1	L1286	L1286-T1288 HydrophobicContact CD2-CG2 3.81Å
1289	G	29.3	Very low	32.1	Very low	60 Å²	60	129.2 Å²	129.2	62%	0.619	69%	0.693	S	S	*	*			trans	-160.1	149.6	173.4	0	0	0	0	0	111.4
1290	T	25.7	Very low	33.2	Very low	147 Å²	147	122.4 Å²	122.4	90%	0.902	66%	0.66	S	S	*	*			trans	-96.4	83	172.4	50.3	0	0	0	0	109.1
1291	D	31.8	Very low	34.6	Very low	152 Å²	152	124 Å²	124	81%	0.813	66%	0.655	S	S	*	*			trans	-107.9	132.5	-177.7	-71.3	-65.7	0	0	0	111.8
1292	E	31.1	Very low	35.6	Very low	171 Å²	171	112.3 Å²	112.3	80%	0.799	61%	0.611	S	S	*	*			trans	-72.7	163.5	178.4	-73.3	-166.4	139.2	0	0	112.2	W1294	E1292-W1294 PolarHBondContact O-N 2.77Å
1293	P	34.6	Very low	36.6	Very low	108 Å²	108	110.8 Å²	110.8	70%	0.701	59%	0.594	S	S	*	*			trans	-49.7	138.7	160.6	23.9	-35.6	0	0	0	110.3	V1295	P1293-V1295 PolarHBondContact O-N 3.49Å
1294	W	29.2	Very low	37.8	Very low	225 Å²	225	111.4 Å²	111.4	85%	0.852	58%	0.583	S	S	*	*			trans	-73.4	72.7	-169.8	-164.3	81.5	0	0	0	112.6	E1292 P1296	E1292-W1294 PolarHBondContact O-N 2.77Å; W1294-P1296 HydrophobicContact CZ3-CG 4.45Å; W1294-P1296 WeakPolarHBondContact O-CD 3.26Å
1295	V	34.9	Very low	38.7	Very low	58 Å²	58	110 Å²	110	35%	0.352	56%	0.559	S	S	.	*			trans	-71.4	119.6	169.8	-179.4	0	0	0	0	107.6	P1293 R1297 L1299 L1303	P1293-V1295 PolarHBondContact O-N 3.49Å; V1295-R1297 PolarHBondContact O-N 2.75Å; V1295-L1299 HydrophobicContact CG1-CB 3.86Å; V1295-L1299 HydrophobicContact CG1-CD2 4.15Å; V1295-L1299 HydrophobicContact CG1-CG 4.02Å; V1295-L1303 HydrophobicContact CG1-CD1 4.47Å
1296	P	39.8	Very low	39.5	Very low	26 Å²	26	103 Å²	103	17%	0.169	54%	0.536	C	S	.	.			trans	-53.3	139.1	175	-25.8	33.8	0	0	0	110.3	L1229 W1294 Q1298 L1299 S1300	L1229-P1296 HydrophobicContact CD1-CG 4.24Å; L1229-P1296 HydrophobicContact CD2-CG 3.8Å; L1229-P1296 HydrophobicContact CG-CG 4.15Å; W1294-P1296 HydrophobicContact CZ3-CG 4.45Å; W1294-P1296 WeakPolarHBondContact O-CD 3.26Å; P1296-Q1298 PolarHBondContact O-N 3.34Å; P1296-L1299 HydrophobicContact CB-CB 4.34Å; P1296-L1299 WeakPolarHBondContact O-CA 3.25Å; P1296-L1299 WeakPolarHBondContact O-CB 3.43Å; P1296-L1299 PolarHBondContact O-N 2.87Å; P1296-S1300 PolarHBondContact O-N 3.31Å
1297	R	41.5	Very low	40.5	Very low	219 Å²	219	100.1 Å²	100.1	83%	0.826	52%	0.519	S	S	*	.	H	α-helix	trans	-50.9	-40.7	-174.6	-77.5	-174.3	174.9	179.9	-1.1	112.5	V1295 S1300 E1301	V1295-R1297 PolarHBondContact O-N 2.75Å; R1297-S1300 PolarHBondContact O-N 2.72Å; R1297-S1300 PolarHBondContact O-OG 3.27Å; R1297-E1301 WeakPolarHBondContact O-CG 3.4Å; R1297-E1301 PolarHBondContact O-N 3.41Å
1298	Q	46.8	Very low	41.5	Very low	91 Å²	91	101.6 Å²	101.6	43%	0.425	51%	0.508	S	S	.	.	H	α-helix	trans	-59.5	-43.4	174.6	-69.5	177.1	-11.3	0	0	113.4	N1228 P1296 E1301 T1302	N1228-Q1298 PolarHBondContact ND2-NE2 3.24Å; N1228-Q1298 PolarHBondContact ND2-OE1 3.11Å; P1296-Q1298 PolarHBondContact O-N 3.34Å; Q1298-E1301 PolarHBondContact O-N 3.27Å; Q1298-T1302 PolarHBondContact O-N 2.86Å; Q1298-T1302 PolarHBondContact O-OG1 3.48Å
1299	L	44.5	Very low	42.2	Very low	51 Å²	51	96.9 Å²	96.9	27%	0.267	48%	0.478	S	S	.	.	H	α-helix	trans	-68	-36.7	176.2	-170	63.5	0	0	0	111.5	L1222 V1295 P1296 E1301 T1302 L1303	L1222-L1299 HydrophobicContact CD2-CD1 4.05Å; V1295-L1299 HydrophobicContact CG1-CB 3.86Å; V1295-L1299 HydrophobicContact CG1-CD2 4.15Å; V1295-L1299 HydrophobicContact CG1-CG 4.02Å; P1296-L1299 HydrophobicContact CB-CB 4.34Å; P1296-L1299 WeakPolarHBondContact O-CA 3.25Å; P1296-L1299 WeakPolarHBondContact O-CB 3.43Å; P1296-L1299 PolarHBondContact O-N 2.87Å; L1299-E1301 PolarHBondContact O-N 3.37Å; L1299-T1302 WeakPolarHBondContact CA-OG1 3.2Å; L1299-T1302 PolarHBondContact O-N 3.19Å; L1299-T1302 PolarHBondContact O-OG1 2.93Å; L1299-T1302 VanDerWaalsContact O-OG1 3.12Å; L1299-L1303 HydrophobicContact CG-CD1 4.34Å; L1299-L1303 WeakPolarHBondContact O-CB 3.39Å; L1299-L1303 VanDerWaalsContact O-CG 3.27Å; L1299-L1303 WeakPolarHBondContact O-CG 3.36Å; L1299-L1303 PolarHBondContact O-N 3.34Å
1300	S	50.3	Low	42.7	Very low	24 Å²	24	97.5 Å²	97.5	17%	0.168	47%	0.473	C	S	.	.	H	α-helix	trans	-66.8	-23.8	173.5	87.1	0	0	0	0	112.8	P1296 R1297 R1304	P1296-S1300 PolarHBondContact O-N 3.31Å; R1297-S1300 PolarHBondContact O-N 2.72Å; R1297-S1300 PolarHBondContact O-OG 3.27Å; S1300-R1304 WeakPolarHBondContact O-CB 3.33Å; S1300-R1304 WeakPolarHBondContact O-CG 3.39Å; S1300-R1304 PolarHBondContact O-N 3.43Å; S1300-R1304 PolarHBondContact O-NE 3.03Å; S1300-R1304 PolarHBondContact OG-NH2 3.38Å
1301	E	55.9	Low	43.4	Very low	103 Å²	103	98.2 Å²	98.2	48%	0.481	46%	0.459	S	S	.	.	H	α-helix	trans	-86.1	-39.5	176.5	-75.7	179.1	169.9	0	0	111.9	R1297 Q1298 L1299 R1304 D1305	R1297-E1301 WeakPolarHBondContact O-CG 3.4Å; R1297-E1301 PolarHBondContact O-N 3.41Å; Q1298-E1301 PolarHBondContact O-N 3.27Å; L1299-E1301 PolarHBondContact O-N 3.37Å; E1301-R1304 PolarHBondContact O-N 3.22Å; E1301-D1305 WeakPolarHBondContact O-CB 3.34Å; E1301-D1305 PolarHBondContact O-N 2.54Å
1302	T	47.8	Very low	44	Very low	2 Å²	2	95.1 Å²	95.1	1%	0.012	45%	0.446	C	S	.	.	H	α-helix	trans	-65.6	-39.3	171.5	41.5	0	0	0	0	112.2	K1221 L1222 Q1298 L1299 R1304 D1305 L1306	K1221-T1302 HydrophobicContact CB-CG2 3.34Å; K1221-T1302 HydrophobicContact CD-CG2 3.76Å; K1221-T1302 HydrophobicContact CG-CG2 4.22Å; L1222-T1302 HydrophobicContact CG-CG2 4.3Å; Q1298-T1302 PolarHBondContact O-N 2.86Å; Q1298-T1302 PolarHBondContact O-OG1 3.48Å; L1299-T1302 WeakPolarHBondContact CA-OG1 3.2Å; L1299-T1302 PolarHBondContact O-N 3.19Å; L1299-T1302 PolarHBondContact O-OG1 2.93Å; L1299-T1302 VanDerWaalsContact O-OG1 3.12Å; T1302-R1304 VanDerWaalsContact C-N 3.34Å; T1302-R1304 PolarHBondContact O-N 2.99Å; T1302-D1305 PolarHBondContact O-N 3.33Å; T1302-L1306 WeakPolarHBondContact O-CD1 3.37Å; T1302-L1306 PolarHBondContact O-N 3.17Å
1303	L	49.2	Very low	44.6	Very low	78 Å²	78	89.9 Å²	89.9	41%	0.408	42%	0.424	S	S	.	.	H	α-helix	trans	-61.9	-41	173	-72	170	0	0	0	111.8	V1295 L1299 L1306 E1307	V1295-L1303 HydrophobicContact CG1-CD1 4.47Å; L1299-L1303 HydrophobicContact CG-CD1 4.34Å; L1299-L1303 WeakPolarHBondContact O-CB 3.39Å; L1299-L1303 VanDerWaalsContact O-CG 3.27Å; L1299-L1303 WeakPolarHBondContact O-CG 3.36Å; L1299-L1303 PolarHBondContact O-N 3.34Å; L1303-L1306 WeakPolarHBondContact O-CB 3.45Å; L1303-L1306 PolarHBondContact O-N 3.08Å; L1303-E1307 WeakPolarHBondContact O-CG 3.3Å; L1303-E1307 PolarHBondContact O-N 3.21Å
1304	R	56.2	Low	44.6	Very low	139 Å²	139	89.8 Å²	89.8	53%	0.525	42%	0.417	S	S	.	.	H	α-helix	trans	-70.3	-30.7	174.9	-81.2	-179.1	-80.1	-166.4	-6.3	113.8	S1300 E1301 T1302 E1307 R1308	S1300-R1304 WeakPolarHBondContact O-CB 3.33Å; S1300-R1304 WeakPolarHBondContact O-CG 3.39Å; S1300-R1304 PolarHBondContact O-N 3.43Å; S1300-R1304 PolarHBondContact O-NE 3.03Å; S1300-R1304 PolarHBondContact OG-NH2 3.38Å; E1301-R1304 PolarHBondContact O-N 3.22Å; T1302-R1304 VanDerWaalsContact C-N 3.34Å; T1302-R1304 PolarHBondContact O-N 2.99Å; R1304-E1307 PolarHBondContact O-N 3.31Å; R1304-R1308 VanDerWaalsContact O-CG 3.31Å; R1304-R1308 WeakPolarHBondContact O-CG 3.23Å; R1304-R1308 PolarHBondContact O-N 2.66Å
1305	D	51.4	Low	44.9	Very low	37 Å²	37	83.6 Å²	83.6	20%	0.198	40%	0.404	C	S	.	.	H	α-helix	trans	-74.4	-32.6	172.6	-76	-15.7	0	0	0	112.1	I1218 K1221 E1301 T1302 R1308 L1309	I1218-D1305 HydrophobicContact CD1-CB 4.31Å; K1221-D1305 IonicContact NZ-OD2 2.99Å; K1221-D1305 PolarHBondContact NZ-OD2 3.45Å; E1301-D1305 WeakPolarHBondContact O-CB 3.34Å; E1301-D1305 PolarHBondContact O-N 2.54Å; T1302-D1305 PolarHBondContact O-N 3.33Å; D1305-R1308 PolarHBondContact O-N 2.78Å; D1305-R1308 IonicContact OD1-CZ 3.95Å; D1305-R1308 IonicContact OD1-NH1 2.85Å; D1305-R1308 PolarHBondContact OD1-NH1 2.95Å; D1305-L1309 PolarHBondContact O-N 3.21Å; D1305-L1309 VanDerWaalsContact O-N 3.14Å
1306	L	46.2	Very low	44.7	Very low	79 Å²	79	83.9 Å²	83.9	41%	0.414	42%	0.419	S	S	.	.	H	α-helix	trans	-62.8	-45.5	166.4	-102.8	97	0	0	0	111.8	I1218 T1302 L1303 R1308 L1309 S1310	I1218-L1306 HydrophobicContact CD1-CD1 4.31Å; I1218-L1306 HydrophobicContact CG2-CD1 3.59Å; T1302-L1306 WeakPolarHBondContact O-CD1 3.37Å; T1302-L1306 PolarHBondContact O-N 3.17Å; L1303-L1306 WeakPolarHBondContact O-CB 3.45Å; L1303-L1306 PolarHBondContact O-N 3.08Å; L1306-R1308 PolarHBondContact O-N 2.85Å; L1306-L1309 PolarHBondContact O-N 2.92Å; L1306-S1310 PolarHBondContact O-N 3.32Å; L1306-S1310 VanDerWaalsContact O-N 3.07Å; L1306-S1310 PolarHBondContact O-OG 2.74Å
1307	E	46.6	Very low	44.2	Very low	78 Å²	78	89.7 Å²	89.7	36%	0.364	45%	0.448	S	S	.	.	H	α-helix	trans	-64.1	-26.6	176.3	-76.8	-137.2	113.5	0	0	113.4	L1303 R1304 S1310 R1311	L1303-E1307 WeakPolarHBondContact O-CG 3.3Å; L1303-E1307 PolarHBondContact O-N 3.21Å; R1304-E1307 PolarHBondContact O-N 3.31Å; E1307-S1310 PolarHBondContact O-OG 3.1Å; E1307-R1311 WeakPolarHBondContact O-CB 3.47Å; E1307-R1311 WeakPolarHBondContact O-CD 3.13Å; E1307-R1311 WeakPolarHBondContact O-CG 3.23Å; E1307-R1311 PolarHBondContact O-N 3.37Å; E1307-R1311 IonicContact OE1-CZ 2.66Å; E1307-R1311 IonicContact OE1-NH2 3.98Å; E1307-R1311 PolarHBondContact OE1-NH2 2.89Å; E1307-R1311 IonicContact OE2-CZ 3.33Å; E1307-R1311 IonicContact OE2-NH2 2.8Å; E1307-R1311 PolarHBondContact OE2-NH2 3.33Å
1308	R	50.2	Low	43.6	Very low	158 Å²	158	87 Å²	87	60%	0.596	45%	0.45	S	S	*	.	H	α-helix	trans	-71	-49.9	172	-76.6	164	172.5	160	-3.8	110.9	R1304 D1305 L1306 S1310 R1311 T1312	R1304-R1308 VanDerWaalsContact O-CG 3.31Å; R1304-R1308 WeakPolarHBondContact O-CG 3.23Å; R1304-R1308 PolarHBondContact O-N 2.66Å; D1305-R1308 PolarHBondContact O-N 2.78Å; D1305-R1308 IonicContact OD1-CZ 3.95Å; D1305-R1308 IonicContact OD1-NH1 2.85Å; D1305-R1308 PolarHBondContact OD1-NH1 2.95Å; L1306-R1308 PolarHBondContact O-N 2.85Å; R1308-S1310 VanDerWaalsContact C-N 3.32Å; R1308-S1310 PolarHBondContact O-N 2.79Å; R1308-R1311 CarbonylContact O-C 3.3Å; R1308-R1311 PolarHBondContact O-N 3.12Å; R1308-T1312 WeakPolarHBondContact O-CG2 3.18Å; R1308-T1312 PolarHBondContact O-N 2.86Å; R1308-T1312 PolarHBondContact O-OG1 3.01Å
1309	L	43.3	Very low	42.9	Very low	28 Å²	28	91.3 Å²	91.3	15%	0.147	47%	0.469	C	S	.	.	H	α-helix	trans	-54.3	-46	177.3	-89.7	161.8	0	0	0	112.7	R1214 I1218 D1305 L1306 R1311 D1313	R1214-L1309 HydrophobicContact CB-CD1 4.32Å; R1214-L1309 HydrophobicContact CB-CD2 4.12Å; I1218-L1309 HydrophobicContact CD1-CD1 3.3Å; D1305-L1309 PolarHBondContact O-N 3.21Å; D1305-L1309 VanDerWaalsContact O-N 3.14Å; L1306-L1309 PolarHBondContact O-N 2.92Å; L1309-R1311 PolarHBondContact O-N 3.41Å; L1309-D1313 WeakPolarHBondContact CD2-OD2 3.42Å; L1309-D1313 PolarHBondContact O-N 2.69Å
1310	S	39.4	Very low	42.1	Very low	74 Å²	74	97.3 Å²	97.3	52%	0.517	50%	0.496	S	S	.	.	H	α-helix	trans	-71.9	-9.1	179.1	63	0	0	0	0	114.5	L1306 E1307 R1308	L1306-S1310 PolarHBondContact O-N 3.32Å; L1306-S1310 VanDerWaalsContact O-N 3.07Å; L1306-S1310 PolarHBondContact O-OG 2.74Å; E1307-S1310 PolarHBondContact O-OG 3.1Å; R1308-S1310 VanDerWaalsContact C-N 3.32Å; R1308-S1310 PolarHBondContact O-N 2.79Å
1311	R	40.3	Very low	41	Very low	161 Å²	161	102.3 Å²	102.3	61%	0.608	53%	0.528	S	S	*	.	H	α-helix	trans	-110.6	-9.4	177.7	-67.3	179.3	-164.1	-174.1	11.6	114.7	E1307 R1308 L1309	E1307-R1311 WeakPolarHBondContact O-CB 3.47Å; E1307-R1311 WeakPolarHBondContact O-CD 3.13Å; E1307-R1311 WeakPolarHBondContact O-CG 3.23Å; E1307-R1311 PolarHBondContact O-N 3.37Å; E1307-R1311 IonicContact OE1-CZ 2.66Å; E1307-R1311 IonicContact OE1-NH2 3.98Å; E1307-R1311 PolarHBondContact OE1-NH2 2.89Å; E1307-R1311 IonicContact OE2-CZ 3.33Å; E1307-R1311 IonicContact OE2-NH2 2.8Å; E1307-R1311 PolarHBondContact OE2-NH2 3.33Å; R1308-R1311 CarbonylContact O-C 3.3Å; R1308-R1311 PolarHBondContact O-N 3.12Å; L1309-R1311 PolarHBondContact O-N 3.41Å
1312	T	45.7	Very low	39.6	Very low	88 Å²	88	104.9 Å²	104.9	54%	0.54	54%	0.54	S	S	.	.	H	α-helix	trans	-122.5	-21.9	-174.9	66.3	0	0	0	0	116.3	R1308	R1308-T1312 WeakPolarHBondContact O-CG2 3.18Å; R1308-T1312 PolarHBondContact O-N 2.86Å; R1308-T1312 PolarHBondContact O-OG1 3.01Å
1313	D	43.3	Very low	38.7	Very low	61 Å²	61	113.4 Å²	113.4	33%	0.326	58%	0.577	S	S	.	*	S	Bend	trans	-110.8	-3.9	-169.2	-70	13.8	0	0	0	114.1	R1214 L1309	R1214-D1313 IonicContact CZ-OD1 3.28Å; R1214-D1313 IonicContact CZ-OD2 3.64Å; R1214-D1313 IonicContact NH1-OD1 3.56Å; R1214-D1313 PolarHBondContact NH1-OD1 2.75Å; R1214-D1313 IonicContact NH1-OD2 3Å; R1214-D1313 PolarHBondContact NH1-OD2 3.35Å; L1309-D1313 WeakPolarHBondContact CD2-OD2 3.42Å; L1309-D1313 PolarHBondContact O-N 2.69Å
1314	L	34.3	Very low	37.8	Very low	106 Å²	106	115.2 Å²	115.2	56%	0.555	60%	0.596	S	S	*	*	S	Bend	trans	-125	1.3	-171.4	-75.8	168.7	0	0	0	115.5	A1510	L1314-A1510 HydrophobicContact CD2-CB 4.2Å
1315	T	34.7	Very low	36.3	Very low	94 Å²	94	115.1 Å²	115.1	58%	0.577	61%	0.611	S	S	*	*	S	Bend	trans	-135.6	29	-172.5	60.4	0	0	0	0	112.9
1316	G	31.9	Very low	35	Very low	65 Å²	65	118.8 Å²	118.8	67%	0.67	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-30	-164.1	0	0	0	0	0	116.8
1317	D	29.7	Very low	34.1	Very low	147 Å²	147	124.2 Å²	124.2	79%	0.786	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.2	25.5	-163.4	-60.7	-69	0	0	0	113.1
1318	L	28.4	Very low	33.2	Very low	164 Å²	164	125.6 Å²	125.6	86%	0.859	68%	0.675	S	S	*	*			trans	-124.8	42.8	-170.3	-95.1	166	0	0	0	114.8
1319	E	31.1	Very low	32.1	Very low	180 Å²	180	127.6 Å²	127.6	84%	0.841	68%	0.684	S	S	*	*	S	Bend	trans	-128.3	116.2	167	-73	-157.8	136.8	0	0	114
1320	Q	28.8	Very low	31.2	Very low	177 Å²	177	133.5 Å²	133.5	83%	0.827	72%	0.721	S	S	*	*			trans	60.7	111.6	156.4	-55.6	-166.5	21.4	0	0	120.6
1321	P	25.8	Very low	30.7	Very low	130 Å²	130	138.3 Å²	138.3	84%	0.844	73%	0.728	S	S	*	*			trans	-94.8	107.5	171.7	34.5	-30.5	0	0	0	113.3
1322	Q	28	Very low	29.9	Very low	157 Å²	157	136.9 Å²	136.9	73%	0.734	74%	0.743	S	S	*	*			trans	-146.2	129.3	157.7	-77.4	-154.2	32.1	0	0	115.1
1323	K	28.7	Very low	29.1	Very low	180 Å²	180	137.5 Å²	137.5	78%	0.783	74%	0.742	S	S	*	*			trans	50.4	95.7	143.1	-60.6	170.5	-176.3	150.3	0	118.9
1324	S	29.8	Very low	28.1	Very low	116 Å²	116	140.7 Å²	140.7	81%	0.811	76%	0.764	S	S	*	*				-163.6	145	117.6	47.1	0	0	0	0	111.6
1325	V	24.2	Very low	27.7	Very low	138 Å²	138	142.7 Å²	142.7	84%	0.836	77%	0.774	S	S	*	*			trans	-135.3	124.7	176.4	174.7	0	0	0	0	108.8
1326	P	25.4	Very low	27.3	Very low	113 Å²	113	142 Å²	142	73%	0.734	77%	0.771	S	S	*	*			trans	-137.1	109.4	141.9	29.5	-12.1	0	0	0	113	S1328	P1326-S1328 PolarHBondContact O-N 2.78Å
1327	K	26.9	Very low	26.9	Very low	194 Å²	194	149.7 Å²	149.7	84%	0.843	78%	0.78	S	S	*	*			trans	22.2	100.3	130.1	-57.1	173.9	-179	178.6	0	116.7
1328	S	26.8	Very low	26.9	Very low	106 Å²	106	151.2 Å²	151.2	74%	0.741	78%	0.78	S	S	*	*				165.4	91.1	125.8	46.4	0	0	0	0	113.4	P1326	P1326-S1328 PolarHBondContact O-N 2.78Å
1329	Y	26.8	Very low	26.6	Very low	201 Å²	201	151.2 Å²	151.2	79%	0.788	77%	0.77	S	S	*	*			trans	-147.8	42.1	154.8	-131.3	-86.6	0	0	0	113.5	R1331	Y1329-R1331 HydrophobicContact CD1-CB 4.31Å; Y1329-R1331 HydrophobicContact CE1-CB 4.23Å; Y1329-R1331 PolarHBondContact O-N 3.39Å
1330	T	26.2	Very low	26.5	Very low	151 Å²	151	152.4 Å²	152.4	93%	0.926	77%	0.766	S	S	*	*			trans	-67.6	80.7	162.1	21	0	0	0	0	109.8
1331	R	27.4	Very low	26.3	Very low	176 Å²	176	150.5 Å²	150.5	66%	0.664	77%	0.767	S	S	*	*			trans	-135.1	101.5	167.3	-132.8	173.4	-174	-145.3	1.6	109.2	Y1329 I1333	Y1329-R1331 HydrophobicContact CD1-CB 4.31Å; Y1329-R1331 HydrophobicContact CE1-CB 4.23Å; Y1329-R1331 PolarHBondContact O-N 3.39Å; R1331-I1333 HydrophobicContact CB-CD1 4.43Å; R1331-I1333 HydrophobicContact CB-CG1 4.36Å; R1331-I1333 HydrophobicContact CG-CD1 4.16Å; R1331-I1333 HydrophobicContact CG-CG1 4.2Å; R1331-I1333 PolarHBondContact O-N 2.78Å
1332	S	24.5	Very low	26.4	Very low	131 Å²	131	149.7 Å²	149.7	92%	0.916	76%	0.764	S	S	*	*			trans	-65.2	81.6	168.8	36.6	0	0	0	0	109.8
1333	I	27.7	Very low	26.3	Very low	100 Å²	100	145.1 Å²	145.1	51%	0.513	76%	0.759	S	S	.	*			trans	-105.7	108.2	172.3	-68.1	-179.1	0	0	0	107.9	R1331 L1335	R1331-I1333 HydrophobicContact CB-CD1 4.43Å; R1331-I1333 HydrophobicContact CB-CG1 4.36Å; R1331-I1333 HydrophobicContact CG-CD1 4.16Å; R1331-I1333 HydrophobicContact CG-CG1 4.2Å; R1331-I1333 PolarHBondContact O-N 2.78Å; I1333-L1335 HydrophobicContact CG2-CG 4.45Å; I1333-L1335 PolarHBondContact O-N 2.92Å; I1333-L1335 VanDerWaalsContact O-N 3.15Å
1334	T	23.9	Very low	26.2	Very low	129 Å²	129	143.2 Å²	143.2	79%	0.791	77%	0.765	S	S	*	*			trans	-61.6	111	176.9	-50.2	0	0	0	0	110.8
1335	L	24.3	Very low	26	Very low	147 Å²	147	142 Å²	142	77%	0.77	76%	0.762	S	S	*	*			trans	-118.5	136.6	168.9	-72.6	171.6	0	0	0	109.1	I1333	I1333-L1335 HydrophobicContact CG2-CG 4.45Å; I1333-L1335 PolarHBondContact O-N 2.92Å; I1333-L1335 VanDerWaalsContact O-N 3.15Å
1336	P	26.6	Very low	26.2	Very low	79 Å²	79	144.1 Å²	144.1	51%	0.513	76%	0.763	S	S	.	*				-129.9	128.5	-50.4	28.7	-14.1	0	0	0	112	F1338	P1336-F1338 HydrophobicContact CB-CD2 3.62Å; P1336-F1338 HydrophobicContact CB-CE2 3.8Å; P1336-F1338 HydrophobicContact CG-CD2 3.76Å; P1336-F1338 HydrophobicContact CG-CE2 3.97Å; P1336-F1338 PolarHBondContact O-N 3.14Å
1337	R	23.2	Very low	26.2	Very low	228 Å²	228	150.1 Å²	150.1	86%	0.86	77%	0.771	S	S	*	*			trans	-70.5	82	149.6	-90.3	-173.5	170.9	174.7	-1.4	108.4	Y1339	R1337-Y1339 WeakPolarHBondContact O-CD2 3.45Å; R1337-Y1339 PolarHBondContact O-N 3.12Å
1338	F	30.2	Very low	26.1	Very low	179 Å²	179	150 Å²	150	79%	0.785	77%	0.77	S	S	*	*			trans	-77.3	92.8	146.3	-75.5	-70.8	0	0	0	105.5	P1336	P1336-F1338 HydrophobicContact CB-CD2 3.62Å; P1336-F1338 HydrophobicContact CB-CE2 3.8Å; P1336-F1338 HydrophobicContact CG-CD2 3.76Å; P1336-F1338 HydrophobicContact CG-CE2 3.97Å; P1336-F1338 PolarHBondContact O-N 3.14Å
1339	Y	23.1	Very low	26.1	Very low	164 Å²	164	149.2 Å²	149.2	64%	0.643	77%	0.77	S	S	*	*				59.1	129	79	-83.6	-50.6	0	0	0	113.2	R1337	R1337-Y1339 WeakPolarHBondContact O-CD2 3.45Å; R1337-Y1339 PolarHBondContact O-N 3.12Å
1340	R	27.6	Very low	26.2	Very low	204 Å²	204	146.9 Å²	146.9	77%	0.77	77%	0.766	S	S	*	*				41.6	133.4	106.6	-67.2	175.1	-176.3	158.5	-4.9	112.6
1341	V	25.3	Very low	26.1	Very low	137 Å²	137	146.9 Å²	146.9	83%	0.83	76%	0.756	S	S	*	*			cis	-147.7	146	46.3	172	0	0	0	0	107
1342	S	27	Very low	26	Very low	113 Å²	113	143.8 Å²	143.8	79%	0.79	76%	0.756	S	S	*	*			cis	-131.1	166.6	32.3	47.2	0	0	0	0	113
1343	G	27.2	Very low	26.1	Very low	61 Å²	61	144.1 Å²	144.1	63%	0.629	75%	0.747	S	S	*	*			cis	128.1	120.7	9	0	0	0	0	0	109.4	A1345	G1343-A1345 PolarHBondContact O-N 2.9Å
1344	P	25.7	Very low	26.1	Very low	141 Å²	141	142.9 Å²	142.9	92%	0.916	75%	0.747	S	S	*	*			trans	-85.1	112.2	-162.4	31.4	-34.9	0	0	0	113.9
1345	A	26.9	Very low	26.2	Very low	89 Å²	89	139.7 Å²	139.7	74%	0.736	74%	0.74	S	S	*	*			trans	-149.4	137.3	165.1	0	0	0	0	0	109.8	G1343	G1343-A1345 PolarHBondContact O-N 2.9Å
1346	Q	28.3	Very low	26.3	Very low	183 Å²	183	135.1 Å²	135.1	86%	0.855	72%	0.72	S	S	*	*			cis	-147.8	148.2	-6.9	-120.2	172.9	-6.7	0	0	109.9
1347	R	24.4	Very low	26.3	Very low	240 Å²	240	140.2 Å²	140.2	91%	0.906	73%	0.729	S	S	*	*			trans	-80	156.8	162.8	-81.7	178.1	166.6	173.2	-5.4	109.3
1348	K	24.1	Very low	26.6	Very low	191 Å²	191	134.2 Å²	134.2	83%	0.83	72%	0.717	S	S	*	*			trans	77.2	146.2	-172.7	-50.6	175	-180	-177.8	0	112.5
1349	A	28.4	Very low	26.5	Very low	90 Å²	90	128.4 Å²	128.4	74%	0.744	70%	0.698	S	S	*	*			cis	-81.6	149.3	-5.6	0	0	0	0	0	110.8
1350	H	27.3	Very low	26.7	Very low	152 Å²	152	125.3 Å²	125.3	70%	0.704	70%	0.696	S	S	*	*				41.9	136.5	72.5	-79	-103.5	0	0	0	112.5
1351	Q	25.6	Very low	26.6	Very low	150 Å²	150	122.8 Å²	122.8	70%	0.701	69%	0.693	S	S	*	*			cis	162.4	154.2	-0.5	-170.5	-175.2	-11.6	0	0	101.7
1352	V	25.9	Very low	26.8	Very low	112 Å²	112	124.9 Å²	124.9	68%	0.679	69%	0.691	S	S	*	*			trans	69.7	113.6	169.8	-168.1	0	0	0	0	116.1
1353	L	26.1	Very low	26.8	Very low	137 Å²	137	126.8 Å²	126.8	72%	0.717	69%	0.692	S	S	*	*			trans	56.4	123	156	-55.7	167.7	0	0	0	120.1
1354	S	26.8	Very low	27	Very low	75 Å²	75	128.2 Å²	128.2	52%	0.524	69%	0.692	S	S	.	*			trans	57.1	157	132.8	68.6	0	0	0	0	125	D10 G11	D10-S1354 WeakPolarHBondContact O-CB 3.24Å; G11-S1354 CarbonylContact O-C 3.57Å; G11-S1354 VanDerWaalsContact O-C 3.3Å; G11-S1354 WeakPolarHBondContact O-CB 3.42Å; G11-S1354 PolarHBondContact O-OG 3.32Å; G11-S1354 VanDerWaalsContact O-OG 3.11Å
1355	G	26.1	Very low	27.1	Very low	62 Å²	62	128 Å²	128	64%	0.639	69%	0.688	S	S	*	*			cis	152.3	-97.3	-18.7	0	0	0	0	0	119.9	D10 G11	D10-G1355 CarbonylContact O-C 3.56Å; D10-G1355 WeakPolarHBondContact O-CA 3.46Å; G11-G1355 CarbonylContact O-C 2.96Å; G11-G1355 WeakPolarHBondContact O-CA 3.13Å; G11-G1355 PolarHBondContact O-N 2.98Å
1356	C	26.5	Very low	27.3	Very low	51 Å²	51	126.9 Å²	126.9	35%	0.345	68%	0.684	S	S	.	*			trans	-55.7	167.6	-161.6	-48.2	0	0	0	0	119.8	D10 G11 Q12 G13	D10-C1356 PolarHBondContact O-N 3.15Å; D10-C1356 PolarHBondContact O-SG 3.48Å; D10-C1356 VanDerWaalsContact O-SG 3.38Å; G11-C1356 VanDerWaalsContact CA-SG 3.56Å; G11-C1356 PolarHBondContact N-SG 3.14Å; G11-C1356 PolarHBondContact O-N 3.3Å; Q12-C1356 CarbonylContact C-O 3.58Å; Q12-C1356 WeakPolarHBondContact CA-O 3.44Å; G13-C1356 PolarHBondContact N-O 2.66Å
1357	R	27.8	Very low	27.5	Very low	185 Å²	185	124.8 Å²	124.8	70%	0.698	68%	0.679	S	S	*	*			trans	80	90.1	146.6	-78.4	169.6	-167.1	-149.6	1.5	117.9	G13 V14	G13-R1357 CarbonylContact C-O 3.27Å; G13-R1357 VanDerWaalsContact C-O 3.27Å; V14-R1357 HydrophobicContact CG2-CB 3.92Å; V14-R1357 WeakPolarHBondContact CG2-O 2.98Å; V14-R1357 PolarHBondContact N-O 3.05Å; V14-R1357 VanDerWaalsContact N-O 3.1Å
1358	T	27.7	Very low	27.7	Very low	102 Å²	102	118.2 Å²	118.2	63%	0.626	67%	0.67	S	S	*	*				-0.1	144.6	119.3	49.5	0	0	0	0	118.3
1359	P	29.6	Very low	28.1	Very low	57 Å²	57	117.3 Å²	117.3	37%	0.37	67%	0.669	S	S	.	*			trans	-109.2	85.3	156.6	6.1	17.5	0	0	0	111.1	P15 K16	P15-P1359 VanDerWaalsContact CA-CG 3.5Å; P15-P1359 HydrophobicContact CB-CB 3.41Å; P15-P1359 VanDerWaalsContact CB-CB 3.41Å; P15-P1359 HydrophobicContact CB-CG 3.52Å; K16-P1359 HydrophobicContact CD-CB 3.9Å; K16-P1359 WeakPolarHBondContact CE-O 3.29Å; K16-P1359 HydrophobicContact CG-CB 3.87Å; K16-P1359 HydrophobicContact CG-CG 4.26Å; K16-P1359 PolarHBondContact NZ-O 3.29Å; K16-P1359 VanDerWaalsContact NZ-O 3.15Å
1360	T	26.2	Very low	28.2	Very low	99 Å²	99	121.2 Å²	121.2	61%	0.607	67%	0.672	S	S	*	*			trans	-63.9	179.1	156.2	39.8	0	0	0	0	110.9	K16	K16-T1360 VanDerWaalsContact NZ-C 3.3Å; K16-T1360 PolarHBondContact NZ-O 2.64Å
1361	E	26.6	Very low	28.4	Very low	151 Å²	151	118.8 Å²	118.8	71%	0.706	67%	0.672	S	S	*	*			trans	79.8	147	161.5	-61	179.1	-162.6	0	0	121.2	K16	K16-E1361 PolarHBondContact NZ-O 3.13Å
1362	K	28	Very low	28.6	Very low	182 Å²	182	120.8 Å²	120.8	79%	0.791	68%	0.681	S	S	*	*			trans	94.5	117.2	165.6	-58.3	-164	-179.9	-174.4	0	115.2
1363	L	28.8	Very low	28.8	Very low	153 Å²	153	124.3 Å²	124.3	80%	0.801	69%	0.69	S	S	*	*			cis	-154.6	165.1	-3.7	-92.1	161.4	0	0	0	105.4
1364	S	29.9	Very low	28.9	Very low	91 Å²	91	124.5 Å²	124.5	64%	0.636	69%	0.692	S	S	*	*			cis	-169.2	148.5	-4.3	40.9	0	0	0	0	109.6
1365	V	28.7	Very low	29	Very low	136 Å²	136	125 Å²	125	82%	0.824	69%	0.694	S	S	*	*				46	135.6	129.9	-173.3	0	0	0	0	119.9
1366	G	31.4	Very low	29	Very low	65 Å²	65	127.9 Å²	127.9	67%	0.67	69%	0.694	S	S	*	*			trans	124.2	105.8	176.6	0	0	0	0	0	112
1367	D	31.3	Very low	29.1	Very low	140 Å²	140	129.9 Å²	129.9	75%	0.749	70%	0.701	S	S	*	*			cis	-162.8	-167.7	-24.4	-101.9	-36.8	0	0	0	106
1368	S	29.7	Very low	29	Very low	102 Å²	102	123.5 Å²	123.5	71%	0.713	69%	0.685	S	S	*	*			trans	4.5	133.1	156.9	61.5	0	0	0	0	118.8
1369	E	31.9	Very low	28.9	Very low	172 Å²	172	121.5 Å²	121.5	80%	0.804	68%	0.675	S	S	*	*				-157.5	168.2	55.9	-77.8	-179.9	138.2	0	0	114.1
1370	E	31.3	Very low	28.8	Very low	172 Å²	172	124.5 Å²	124.5	80%	0.804	69%	0.692	S	S	*	*			trans	42.6	112.7	161.2	-63	180	150.5	0	0	120
1371	S	31.5	Very low	28.9	Very low	100 Å²	100	128.6 Å²	128.6	70%	0.699	70%	0.704	S	S	*	*				61.2	97.7	56	81.4	0	0	0	0	114.4
1372	Q	28.3	Very low	29	Very low	193 Å²	193	126.3 Å²	126.3	90%	0.902	71%	0.705	S	S	*	*				76	80.4	74.3	-73.9	-160.3	-18.3	0	0	116.6
1373	E	30.4	Very low	29.3	Very low	185 Å²	185	122.7 Å²	122.7	86%	0.864	70%	0.7	S	S	*	*			trans	-144.1	167	152.6	-71.4	-161.2	142.2	0	0	108.1
1374	N	29.4	Very low	29.2	Very low	142 Å²	142	121.4 Å²	121.4	76%	0.759	70%	0.699	S	S	*	*			cis	171.7	166.6	-44.3	-112.6	-33.1	0	0	0	108
1375	C	28.3	Very low	29.1	Very low	85 Å²	85	122 Å²	122	57%	0.574	70%	0.703	S	S	*	*			trans	80.5	156.8	160.5	-67.9	0	0	0	0	121.9	P1033 R1034	P1033-C1375 CarbonylContact C-O 3.45Å; R1034-C1375 PolarHBondContact N-O 3.46Å
1376	I	26.9	Very low	29	Very low	122 Å²	122	120.1 Å²	120.1	63%	0.626	70%	0.696	S	S	*	*			cis	168.4	-35.8	22.5	-65.5	169.8	0	0	0	118.6	P1033 R1034	P1033-I1376 VanDerWaalsContact CB-C 3.46Å; P1033-I1376 HydrophobicContact CB-CG1 4.45Å; P1033-I1376 HydrophobicContact CG-CG1 3.86Å; R1034-I1376 VanDerWaalsContact CB-N 3.34Å
1377	L	27.4	Very low	28.8	Very low	94 Å²	94	121.6 Å²	121.6	49%	0.492	70%	0.696	S	S	.	*			trans	-160.6	-174.2	177.7	-118.6	171.5	0	0	0	114	P1033 R1034	P1033-L1377 WeakPolarHBondContact CA-O 3.49Å; P1033-L1377 VanDerWaalsContact CB-C 3.49Å; P1033-L1377 VanDerWaalsContact CB-CA 3.48Å; P1033-L1377 WeakPolarHBondContact CB-O 3.09Å; R1034-L1377 WeakPolarHBondContact CA-O 3.14Å; R1034-L1377 WeakPolarHBondContact CB-O 3.49Å; R1034-L1377 VanDerWaalsContact CD-N 3.31Å; R1034-L1377 HydrophobicContact CG-CB 3.96Å; R1034-L1377 WeakPolarHBondContact CG-O 3.25Å
1378	S	25.8	Very low	28.6	Very low	51 Å²	51	122.1 Å²	122.1	36%	0.357	70%	0.698	S	S	.	*			trans	-100.8	-179.2	-160	57.8	0	0	0	0	120.1	W1032	W1032-S1378 VanDerWaalsContact CD2-CB 3.43Å; W1032-S1378 VanDerWaalsContact CE3-CA 3.45Å
1379	S	26.6	Very low	28.6	Very low	60 Å²	60	123.5 Å²	123.5	42%	0.42	69%	0.693	S	S	.	*			trans	69	132.2	134.1	61.2	0	0	0	0	124.5
1380	T	26.5	Very low	28.3	Very low	119 Å²	119	123 Å²	123	73%	0.73	68%	0.683	S	S	*	*			trans	71	141.5	138.2	49.3	0	0	0	0	124.2
1381	Q	28.8	Very low	28.2	Very low	185 Å²	185	124.4 Å²	124.4	86%	0.864	68%	0.683	S	S	*	*			trans	82.9	140.9	149.9	-75.3	170.5	8.9	0	0	122
1382	S	28.3	Very low	28.1	Very low	104 Å²	104	123.9 Å²	123.9	73%	0.727	68%	0.684	S	S	*	*			trans	-76	-178.2	167.6	57	0	0	0	0	110
1383	P	34.7	Very low	28	Very low	106 Å²	106	120.2 Å²	120.2	69%	0.688	68%	0.68	S	S	*	*			cis	-156	-178.3	34.5	42.3	-17.2	0	0	0	120.2
1384	T	27.1	Very low	28	Very low	126 Å²	126	117.7 Å²	117.7	77%	0.773	68%	0.68	S	S	*	*			trans	42.7	121.5	144.5	52.9	0	0	0	0	123.8
1385	S	26.6	Very low	27.8	Very low	104 Å²	104	122 Å²	122	73%	0.727	69%	0.685	S	S	*	*				89.3	137.1	116.5	-164.1	0	0	0	0	123.1
1386	S	27.8	Very low	27.7	Very low	95 Å²	95	128.3 Å²	128.3	66%	0.664	70%	0.697	S	S	*	*			trans	74.5	111.9	142.1	46.1	0	0	0	0	123
1387	S	26.8	Very low	27.8	Very low	97 Å²	97	132.7 Å²	132.7	68%	0.678	71%	0.706	S	S	*	*				77.4	123.8	127.3	68.3	0	0	0	0	121.9
1388	L	27.3	Very low	27.8	Very low	151 Å²	151	137.5 Å²	137.5	79%	0.791	73%	0.725	S	S	*	*			trans	53.4	135.5	131.4	-61.6	167.3	0	0	0	118.3
1389	H	29.3	Very low	28	Very low	131 Å²	131	138.4 Å²	138.4	61%	0.606	74%	0.743	S	S	*	*			cis	-173.6	151.1	44	-146.8	-39.1	0	0	0	113
1390	R	25.9	Very low	28.3	Very low	160 Å²	160	140.7 Å²	140.7	60%	0.604	76%	0.759	S	S	*	*			trans	87.4	146.8	138.2	-140.1	172.6	-67.7	174.9	-0.7	119.5
1391	Y	28.5	Very low	28.3	Very low	203 Å²	203	142.5 Å²	142.5	80%	0.796	76%	0.764	S	S	*	*			trans	69.4	138.9	172.5	-55.2	-65	0	0	0	117.2
1392	A	30.2	Very low	28.4	Very low	88 Å²	88	140.6 Å²	140.6	73%	0.727	77%	0.765	S	S	*	*			cis	-153.5	154.2	-12.6	0	0	0	0	0	111.6
1393	S	24.7	Very low	28.6	Very low	116 Å²	116	141 Å²	141	81%	0.811	77%	0.768	S	S	*	*			trans	-96.3	147	176.8	-40.3	0	0	0	0	112.3
1394	P	30.5	Very low	28.2	Very low	133 Å²	133	140.7 Å²	140.7	86%	0.864	78%	0.775	S	S	*	*			trans	-97.2	133.4	150.9	-8.9	28.1	0	0	0	111.4
1395	R	25	Very low	28.2	Very low	231 Å²	231	140.7 Å²	140.7	87%	0.872	77%	0.774	S	S	*	*			trans	-116.6	160.5	167.3	-96.6	-178.5	159.1	-171.5	-5.4	109
1396	R	27.1	Very low	28.3	Very low	219 Å²	219	144.1 Å²	144.1	83%	0.826	78%	0.779	S	S	*	*			trans	79.3	159.4	171.6	-45.5	-172.8	-176.9	-159.3	1.2	113.5
1397	R	29.2	Very low	28.2	Very low	213 Å²	213	151.2 Å²	151.2	80%	0.804	79%	0.791	S	S	*	*			cis	-143.4	177.3	14.8	-152.5	173.8	-79	-151.3	1.3	112.7
1398	H	26.7	Very low	28.2	Very low	195 Å²	195	155.6 Å²	155.6	90%	0.903	80%	0.798	S	S	*	*			trans	-77.8	158.1	-166.8	-59	-79.4	0	0	0	117.3
1399	G	30.5	Very low	28.1	Very low	71 Å²	71	159.4 Å²	159.4	73%	0.732	80%	0.803	S	S	*	*			trans	146.3	147.5	143	0	0	0	0	0	114.3
1400	S	32.2	Very low	27.9	Very low	108 Å²	108	161.8 Å²	161.8	76%	0.755	82%	0.815	S	S	*	*			cis	-173.2	131.5	-22.8	47.4	0	0	0	0	112.4
1401	N	27.3	Very low	27.8	Very low	156 Å²	156	163.2 Å²	163.2	83%	0.834	83%	0.825	S	S	*	*			trans	64.6	166.6	154.2	-67.7	-9.2	0	0	0	121.6
1402	V	31.5	Very low	27.6	Very low	145 Å²	145	159.7 Å²	159.7	88%	0.879	83%	0.829	S	S	*	*			trans	75.4	127.3	175.5	-169.7	0	0	0	0	114.1
1403	S	31.8	Very low	27.5	Very low	112 Å²	112	167.5 Å²	167.5	78%	0.783	84%	0.839	S	S	*	*			cis	-131.2	165	4.4	57.7	0	0	0	0	111.9
1404	A	26.1	Very low	27.4	Very low	101 Å²	101	166.4 Å²	166.4	84%	0.835	83%	0.832	S	S	*	*			trans	-127.5	105.4	-179.5	0	0	0	0	0	112.5
1405	V	28.2	Very low	27.4	Very low	125 Å²	125	166 Å²	166	76%	0.758	83%	0.83	S	S	*	*			trans	-148.5	125.8	161.4	-177.2	0	0	0	0	103.2
1406	E	28.4	Very low	27.4	Very low	177 Å²	177	160.3 Å²	160.3	83%	0.827	82%	0.82	S	S	*	*			cis	-144.4	153.9	16.2	-135.5	150.1	-146.3	0	0	110.4
1407	R	25.8	Very low	27.3	Very low	244 Å²	244	154.6 Å²	154.6	92%	0.921	81%	0.814	S	S	*	*			trans	-123.3	93.9	166.8	-85.3	-171.6	-179.5	148.2	-3.4	109.2
1408	F	25.1	Very low	27.2	Very low	189 Å²	189	148.3 Å²	148.3	83%	0.829	82%	0.815	S	S	*	*			trans	-161.2	74.1	166.4	-128.4	-80	0	0	0	113.1
1409	Y	27	Very low	27	Very low	230 Å²	230	150.7 Å²	150.7	90%	0.902	82%	0.816	S	S	*	*			trans	-177.8	102.5	140.1	-109.7	-72.6	0	0	0	110.1
1410	E	24.7	Very low	26.7	Very low	182 Å²	182	156.5 Å²	156.5	85%	0.85	82%	0.824	S	S	*	*			trans	-141.8	143.3	174.1	-172.2	174.3	-157.1	0	0	108
1411	K	23.3	Very low	26.3	Very low	190 Å²	190	158.8 Å²	158.8	83%	0.826	83%	0.827	S	S	*	*			trans	64.3	99.3	-166.7	-54.9	172.6	179	173.2	0	115
1412	C	25.3	Very low	26.1	Very low	128 Å²	128	162.8 Å²	162.8	87%	0.865	83%	0.83	S	S	*	*				174.7	93.9	127.9	-101.2	0	0	0	0	112.3
1413	R	26.3	Very low	25.8	Very low	252 Å²	252	162.5 Å²	162.5	95%	0.951	82%	0.823	S	S	*	*			trans	-179.3	84.1	138.9	-102.9	175.2	-173.9	-161.8	1.5	110.8
1414	S	23.7	Very low	25.4	Very low	94 Å²	94	161.5 Å²	161.5	66%	0.657	82%	0.816	S	S	*	*			trans	-95.9	151.6	147.1	47.6	0	0	0	0	108.6	V1416	S1414-V1416 WeakPolarHBondContact OG-CG2 3.16Å
1415	P	29.3	Very low	25.5	Very low	125 Å²	125	162.7 Å²	162.7	81%	0.812	81%	0.809	S	S	*	*				-107.3	122.1	126.3	30.9	-28.5	0	0	0	106.8
1416	V	25.8	Very low	25.4	Very low	110 Å²	110	161.8 Å²	161.8	67%	0.667	81%	0.808	S	S	*	*			cis	55.1	68	39.8	-168.1	0	0	0	0	111.5	S1414	S1414-V1416 WeakPolarHBondContact OG-CG2 3.16Å
1417	S	24.9	Very low	25.3	Very low	100 Å²	100	159.3 Å²	159.3	70%	0.699	81%	0.805	S	S	*	*			trans	43.5	82.5	140.2	62.1	0	0	0	0	117.5
1418	G	26.8	Very low	25.4	Very low	80 Å²	80	154.5 Å²	154.5	83%	0.825	80%	0.803	S	S	*	*			trans	-67.7	131.3	137.6	0	0	0	0	0	109
1419	R	23.5	Very low	25.4	Very low	245 Å²	245	152.1 Å²	152.1	93%	0.925	79%	0.794	S	S	*	*			trans	-89	106.1	166.3	-83.2	177	167.7	170.7	-6	107.9
1420	E	24.3	Very low	25.3	Very low	193 Å²	193	149.4 Å²	149.4	90%	0.902	78%	0.782	S	S	*	*			trans	-117.9	155.1	153	-79.7	-171.5	131.6	0	0	110
1421	L	23.5	Very low	25.3	Very low	156 Å²	156	148.6 Å²	148.6	82%	0.817	78%	0.783	S	S	*	*			trans	-80.9	134.8	-152.6	-68.5	100	0	0	0	112.8	L1423	L1421-L1423 VanDerWaalsContact C-N 3.32Å; L1421-L1423 PolarHBondContact O-N 3.33Å
1422	R	22.6	Very low	25.5	Very low	241 Å²	241	149.4 Å²	149.4	91%	0.909	79%	0.787	S	S	*	*			trans	-64.7	96.9	147.4	-73.8	179.2	173.1	172	-4	108.1	S1424	R1422-S1424 PolarHBondContact O-N 2.89Å
1423	L	26.2	Very low	25.4	Very low	138 Å²	138	149.8 Å²	149.8	72%	0.723	78%	0.776	S	S	*	*			trans	-83.1	94.8	153.1	-80.1	171.3	0	0	0	107.7	L1421 D1425	L1421-L1423 VanDerWaalsContact C-N 3.32Å; L1421-L1423 PolarHBondContact O-N 3.33Å; L1423-D1425 PolarHBondContact O-N 2.85Å
1424	S	23.3	Very low	25.4	Very low	91 Å²	91	142.9 Å²	142.9	64%	0.636	77%	0.766	S	S	*	*			trans	-89.5	77.9	170.7	55.7	0	0	0	0	108.8	R1422 S1426	R1422-S1424 PolarHBondContact O-N 2.89Å; S1424-S1426 PolarHBondContact O-N 2.57Å
1425	D	27.9	Very low	25.5	Very low	127 Å²	127	146.3 Å²	146.3	68%	0.679	78%	0.776	S	S	*	*			trans	-79.5	48.7	-178.2	-72.7	-4.5	0	0	0	112.3	L1423 T1427	L1423-D1425 PolarHBondContact O-N 2.85Å; D1425-T1427 PolarHBondContact O-N 2.88Å
1426	S	26	Very low	25.5	Very low	106 Å²	106	146.1 Å²	146.1	74%	0.741	78%	0.775	S	S	*	*			trans	-85	47.4	163.5	64.4	0	0	0	0	111.1	S1424	S1424-S1426 PolarHBondContact O-N 2.57Å
1427	T	26	Very low	25.5	Very low	124 Å²	124	144.3 Å²	144.3	76%	0.761	78%	0.779	S	S	*	*			trans	-153	76	161.3	-54.2	0	0	0	0	111.5	D1425	D1425-T1427 PolarHBondContact O-N 2.88Å
1428	T	27.7	Very low	25.4	Very low	143 Å²	143	149.3 Å²	149.3	88%	0.877	79%	0.788	S	S	*	*			trans	-123	56.8	150.4	-39.5	0	0	0	0	108.4
1429	Q	26.4	Very low	25.4	Very low	139 Å²	139	156.2 Å²	156.2	65%	0.65	79%	0.789	S	S	*	*			trans	-92.6	137.5	-175.5	-132.9	-171.1	42.7	0	0	110.8
1430	R	24.6	Very low	25.5	Very low	173 Å²	173	152.4 Å²	152.4	65%	0.653	78%	0.782	S	S	*	*			trans	63.6	102.1	163.5	-50	176.7	-141.7	-157.7	2.9	116.6
1431	L	23.9	Very low	25.7	Very low	166 Å²	166	147.4 Å²	147.4	87%	0.869	77%	0.768	S	S	*	*	S	Bend		-158.6	64.2	127.6	-112.8	175.9	0	0	0	111.8
1432	F	26.6	Very low	25.8	Very low	207 Å²	207	151.1 Å²	151.1	91%	0.908	77%	0.773	S	S	*	*			trans	-170.6	111.1	133.7	-111.6	-73	0	0	0	108.6
1433	E	24.9	Very low	25.9	Very low	135 Å²	135	148 Å²	148	63%	0.631	77%	0.773	S	S	*	*			trans	-98.2	156.2	-178.4	-65.1	175.8	147.1	0	0	110.6
1434	S	24.7	Very low	25.8	Very low	108 Å²	108	146 Å²	146	76%	0.755	77%	0.771	S	S	*	*			trans	56.3	120.5	158.7	63.9	0	0	0	0	119.5
1435	L	26.1	Very low	25.8	Very low	165 Å²	165	151 Å²	151	86%	0.864	78%	0.781	S	S	*	*				-172.3	142.5	98.8	-94.8	162.5	0	0	0	110.3
1436	P	29.1	Very low	25.6	Very low	121 Å²	121	152.6 Å²	152.6	79%	0.786	79%	0.789	S	S	*	*			trans	-98.9	152.8	-178.6	36.9	-32.6	0	0	0	113.5
1437	G	26	Very low	25.6	Very low	72 Å²	72	155.5 Å²	155.5	74%	0.742	80%	0.795	S	S	*	*			trans	117.9	132.2	146.5	0	0	0	0	0	119
1438	K	24.2	Very low	25.6	Very low	206 Å²	206	156.7 Å²	156.7	90%	0.896	80%	0.796	S	S	*	*			trans	34.3	101.5	143.5	-61.7	-177.7	177.5	-177.8	0	119.3
1439	R	26.4	Very low	25.6	Very low	225 Å²	225	158.4 Å²	158.4	85%	0.849	79%	0.794	S	S	*	*			trans	-167.2	114.2	132.6	-98.4	143.9	-168.7	-103.2	1.7	108.2
1440	Q	25.6	Very low	25.6	Very low	165 Å²	165	157.4 Å²	157.4	77%	0.771	80%	0.802	S	S	*	*				72	97	81.3	-78.5	-173.1	-43.6	0	0	114.6
1441	S	28.7	Very low	25.7	Very low	87 Å²	87	155.6 Å²	155.6	61%	0.608	81%	0.813	S	S	*	*			trans	29.6	108.4	132.1	60.3	0	0	0	0	118.7
1442	Y	24.4	Very low	25.8	Very low	235 Å²	235	151.3 Å²	151.3	92%	0.922	81%	0.809	S	S	*	*			trans	-159.1	55.5	152.5	-114.9	-67.1	0	0	0	113.9
1443	L	24.8	Very low	25.7	Very low	174 Å²	174	147.6 Å²	147.6	91%	0.911	81%	0.809	S	S	*	*	S	Bend	trans	-154.5	23.1	161.1	-116.5	171.8	0	0	0	114.6
1444	S	23.8	Very low	25.7	Very low	97 Å²	97	146.2 Å²	146.2	68%	0.678	81%	0.814	S	S	*	*	S	Bend	trans	-117.2	56.9	-177.1	60.2	0	0	0	0	111.5
1445	K	24.3	Very low	25.8	Very low	196 Å²	196	145.3 Å²	145.3	85%	0.852	81%	0.813	S	S	*	*			trans	176	82.9	166.7	-104.2	164.5	-176.3	177.4	0	111.2
1446	L	24.4	Very low	25.7	Very low	161 Å²	161	147 Å²	147	84%	0.843	82%	0.817	S	S	*	*	S	Bend	trans	-162.1	134.6	159.3	-115.8	145.8	0	0	0	109.5
1447	L	26	Very low	25.5	Very low	167 Å²	167	146 Å²	146	87%	0.874	82%	0.818	S	S	*	*			trans	72.9	99.4	-169.5	-56.1	172.2	0	0	0	114.7
1448	L	25.8	Very low	25.5	Very low	149 Å²	149	149.6 Å²	149.6	78%	0.78	83%	0.825	S	S	*	*			trans	-102.3	173.4	166.1	-113.7	91	0	0	0	109.4
1449	Q	26.4	Very low	25.6	Very low	178 Å²	178	145.8 Å²	145.8	83%	0.832	82%	0.819	S	S	*	*			trans	67.1	92.5	160	-70.6	165.8	-25.9	0	0	117.8
1450	S	26.9	Very low	25.7	Very low	118 Å²	118	138.8 Å²	138.8	83%	0.825	82%	0.817	S	S	*	*				-178.1	148.2	99.7	35.6	0	0	0	0	111
1451	P	27.1	Very low	25.6	Very low	135 Å²	135	140.5 Å²	140.5	88%	0.877	82%	0.816	S	S	*	*			trans	-98	151	176.4	36.8	-32.6	0	0	0	113.1
1452	G	24.9	Very low	25.5	Very low	76 Å²	76	147 Å²	147	78%	0.784	83%	0.834	S	S	*	*			trans	118.1	158.4	155.7	0	0	0	0	0	117.8
1453	S	25.7	Very low	25.5	Very low	129 Å²	129	139.6 Å²	139.6	90%	0.902	83%	0.829	S	S	*	*			trans	76.2	161.9	174.2	-148.7	0	0	0	0	118.3
1454	S	25.1	Very low	25.7	Very low	107 Å²	107	136.3 Å²	136.3	75%	0.748	83%	0.827	S	S	*	*			trans	-101.8	162.3	-158	56.2	0	0	0	0	115.6
1455	A	25.4	Very low	25.7	Very low	88 Å²	88	141 Å²	141	73%	0.727	84%	0.835	S	S	*	*			trans	10	123.5	153.1	0	0	0	0	0	119.9
1456	E	24.8	Very low	25.7	Very low	201 Å²	201	136.5 Å²	136.5	94%	0.939	83%	0.828	S	S	*	*				-169.8	173.5	106.6	-103.4	-164	157.4	0	0	111.8
1457	A	25	Very low	25.8	Very low	99 Å²	99	140.4 Å²	140.4	82%	0.818	83%	0.832	S	S	*	*			trans	-102	139.8	-170.2	0	0	0	0	0	114.1
1458	V	26.3	Very low	25.7	Very low	148 Å²	148	142.8 Å²	142.8	90%	0.897	84%	0.835	S	S	*	*			trans	-135.2	139.6	169.1	-177.7	0	0	0	0	111.5
1459	V	25.5	Very low	25.6	Very low	127 Å²	127	139.2 Å²	139.2	77%	0.77	84%	0.835	S	S	*	*			trans	-84.7	138	-172.7	174.4	0	0	0	0	112.9
1460	G	28.8	Very low	25.5	Very low	77 Å²	77	136.4 Å²	136.4	79%	0.794	84%	0.835	S	S	*	*			trans	-133.1	120.4	171.2	0	0	0	0	0	113.1
1461	R	23.6	Very low	25.5	Very low	201 Å²	201	136.2 Å²	136.2	76%	0.758	83%	0.831	S	S	*	*			trans	-92.3	142	-180	-62.5	172.2	176.5	164.1	-2.5	112.2
1462	F	27.6	Very low	25.4	Very low	225 Å²	225	138.1 Å²	138.1	99%	0.987	83%	0.832	S	S	*	*			trans	-163.1	162.2	130.5	-99	-67.5	0	0	0	109.2
1463	G	24.3	Very low	25.4	Very low	78 Å²	78	142.7 Å²	142.7	80%	0.804	83%	0.833	S	S	*	*			trans	-164	165.9	-174.2	0	0	0	0	0	116.2
1464	A	28.7	Very low	25.3	Very low	106 Å²	106	140.7 Å²	140.7	88%	0.876	82%	0.819	S	S	*	*			trans	-140.9	174.3	179.9	0	0	0	0	0	111.3
1465	K	23.5	Very low	25.5	Very low	196 Å²	196	139.8 Å²	139.8	85%	0.852	81%	0.813	S	S	*	*			trans	-121.4	132.6	-160.2	-64.4	171.7	178.9	170.5	0	115.1
1466	S	24.7	Very low	25.6	Very low	101 Å²	101	142.6 Å²	142.6	71%	0.706	82%	0.816	S	S	*	*			trans	55.7	134.6	140	69	0	0	0	0	121.4
1467	R	25.3	Very low	25.7	Very low	243 Å²	243	138.4 Å²	138.4	92%	0.917	80%	0.799	S	S	*	*				-165.3	166.1	105.2	-102.8	168.8	-168.7	-162.5	4	112.7
1468	F	24	Very low	26.1	Very low	216 Å²	216	137.6 Å²	137.6	95%	0.947	78%	0.781	S	S	*	*			trans	-97.2	155.2	-173.8	-88.3	-110	0	0	0	112.7
1469	G	24.1	Very low	26.3	Very low	75 Å²	75	132.8 Å²	132.8	77%	0.773	75%	0.748	S	S	*	*				127.1	104.1	116.8	0	0	0	0	0	119.3
1470	S	25.2	Very low	26.7	Very low	118 Å²	118	131.9 Å²	131.9	83%	0.825	74%	0.739	S	S	*	*			trans	-157.9	159.5	150.7	53.6	0	0	0	0	109.1
1471	P	25.7	Very low	26.9	Very low	114 Å²	114	134.3 Å²	134.3	74%	0.74	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-89.6	148.7	-160.3	33.7	-35.4	0	0	0	115.1
1472	L	24.2	Very low	27.3	Very low	175 Å²	175	129 Å²	129	92%	0.916	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-65.9	141.9	167.9	-72.8	159.8	0	0	0	110.8
1473	H	26.6	Very low	27.6	Very low	172 Å²	172	124.4 Å²	124.4	80%	0.796	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-95.1	151.9	162.3	-88.8	48.6	0	0	0	110.2	S1475	H1473-S1475 PolarHBondContact O-N 2.7Å
1474	S	23.7	Very low	28.2	Very low	88 Å²	88	126 Å²	126	62%	0.615	67%	0.666	S	S	*	*	S	Bend	trans	-89.9	95.8	-175.5	55.6	0	0	0	0	112.1
1475	S	27.7	Very low	28.3	Very low	88 Å²	88	127.7 Å²	127.7	62%	0.615	65%	0.654	S	S	*	*			trans	-143.4	-49.8	169.7	43.4	0	0	0	0	112.3	H1473	H1473-S1475 PolarHBondContact O-N 2.7Å
1476	D	28.3	Very low	28.8	Very low	146 Å²	146	120.6 Å²	120.6	78%	0.781	63%	0.625	S	S	*	*			trans	-106.9	85.8	-163	-54.2	-71.8	0	0	0	113.1
1477	I	27.7	Very low	29.5	Very low	113 Å²	113	121 Å²	121	58%	0.579	62%	0.62	S	S	*	*			trans	-112.1	66.4	166.2	-46.3	-175.9	0	0	0	109.3	F1479 V1536	I1477-F1479 HydrophobicContact CG2-CD2 3.81Å; I1477-F1479 HydrophobicContact CG2-CE2 3.57Å; I1477-F1479 PolarHBondContact O-N 3.14Å; I1477-V1536 HydrophobicContact CD1-CG1 4.22Å
1478	D	32.8	Very low	30.1	Very low	83 Å²	83	113.5 Å²	113.5	44%	0.444	61%	0.61	S	S	.	*			trans	-63.7	110.9	170.4	164.9	24.5	0	0	0	110.3	D1480 R1481	D1478-D1480 PolarHBondContact OD1-N 2.68Å; D1478-D1480 VanDerWaalsContact OD1-N 3.11Å; D1478-R1481 IonicContact OD2-CZ 2.64Å; D1478-R1481 IonicContact OD2-NE 3.81Å; D1478-R1481 IonicContact OD2-NH1 3.8Å; D1478-R1481 PolarHBondContact OD2-NH1 2.87Å
1479	F	31.2	Very low	30.9	Very low	46 Å²	46	107.4 Å²	107.4	20%	0.202	58%	0.584	C	S	.	*			trans	-89.4	-15.2	-177.2	-102.2	-86.9	0	0	0	113.8	I1477 R1481 R1482	I1477-F1479 HydrophobicContact CG2-CD2 3.81Å; I1477-F1479 HydrophobicContact CG2-CE2 3.57Å; I1477-F1479 PolarHBondContact O-N 3.14Å; F1479-R1481 VanDerWaalsContact C-N 3.26Å; F1479-R1481 PolarHBondContact O-N 2.86Å; F1479-R1482 WeakPolarHBondContact O-CB 3.37Å; F1479-R1482 PolarHBondContact O-N 2.85Å
1480	D	32.9	Very low	32.1	Very low	109 Å²	109	108.7 Å²	108.7	58%	0.583	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-69.4	-27	-176	-83.4	-48	0	0	0	112	D1478 R1482 R1483	D1478-D1480 PolarHBondContact OD1-N 2.68Å; D1478-D1480 VanDerWaalsContact OD1-N 3.11Å; D1480-R1482 PolarHBondContact O-N 2.99Å; D1480-R1483 PolarHBondContact O-N 3.21Å
1481	R	33.2	Very low	33.2	Very low	128 Å²	128	108.7 Å²	108.7	48%	0.483	56%	0.563	S	S	.	*	G	3₁₀ helix	trans	-55.7	-10.6	165.8	-80.4	-175.9	168.9	115.3	-7.1	115.3	S369 D1478 F1479	S369-R1481 PolarHBondContact OG-NE 2.76Å; S369-R1481 PolarHBondContact OG-NH2 3.15Å; D1478-R1481 IonicContact OD2-CZ 2.64Å; D1478-R1481 IonicContact OD2-NE 3.81Å; D1478-R1481 IonicContact OD2-NH1 3.8Å; D1478-R1481 PolarHBondContact OD2-NH1 2.87Å; F1479-R1481 VanDerWaalsContact C-N 3.26Å; F1479-R1481 PolarHBondContact O-N 2.86Å
1482	R	32.9	Very low	34.4	Very low	88 Å²	88	107.6 Å²	107.6	33%	0.332	55%	0.548	S	S	.	.	G	3₁₀ helix	trans	-90	-13	172	-66.1	-171.7	174.6	-130.7	-3.5	114.1	F1479 D1480 E1544	F1479-R1482 WeakPolarHBondContact O-CB 3.37Å; F1479-R1482 PolarHBondContact O-N 2.85Å; D1480-R1482 PolarHBondContact O-N 2.99Å; R1482-E1544 IonicContact CZ-OE1 3.8Å; R1482-E1544 IonicContact NH1-OE1 2.68Å; R1482-E1544 PolarHBondContact NH1-OE1 3.21Å; R1482-E1544 IonicContact NH2-OE1 2.64Å; R1482-E1544 PolarHBondContact NH2-OE1 3.15Å
1483	R	33.5	Very low	36	Very low	130 Å²	130	103.2 Å²	103.2	49%	0.491	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-40.9	167.6	-76.7	-179.1	169.1	-170.9	-0.2	111.3	D1480 F1485 L1486 D1512	D1480-R1483 PolarHBondContact O-N 3.21Å; R1483-F1485 PolarHBondContact O-N 2.82Å; R1483-L1486 PolarHBondContact O-N 3.11Å; R1483-D1512 IonicContact CZ-OD1 3.79Å; R1483-D1512 IonicContact NH2-OD1 3.43Å; R1483-D1512 PolarHBondContact NH2-OD1 3.14Å; R1483-D1512 IonicContact NH2-OD2 3.83Å
1484	Q	36.8	Very low	37.3	Very low	111 Å²	111	100.8 Å²	100.8	52%	0.519	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-7.4	174.9	-68.9	-178.7	-29.7	0	0	115.8	D1487	Q1484-D1487 WeakPolarHBondContact CA-OD2 3.35Å
1485	F	30.7	Very low	38.6	Very low	142 Å²	142	104 Å²	104	62%	0.623	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-1.6	171.8	-98.2	-82.1	0	0	0	114.3	I373 R1483	I373-F1485 HydrophobicContact CD1-CZ 4.34Å; R1483-F1485 PolarHBondContact O-N 2.82Å
1486	L	33.6	Very low	40	Very low	46 Å²	46	101 Å²	101	24%	0.241	49%	0.488	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-30.7	176	-70.9	162.2	0	0	0	112.3	R1483 A1488 E1489 M1508	R1483-L1486 PolarHBondContact O-N 3.11Å; L1486-A1488 PolarHBondContact O-N 2.9Å; L1486-E1489 PolarHBondContact O-N 2.94Å; L1486-E1489 VanDerWaalsContact O-N 3.17Å; L1486-M1508 HydrophobicContact CD1-CE 3.53Å; L1486-M1508 HydrophobicContact CD1-SD 4.3Å
1487	D	39.6	Very low	41.8	Very low	110 Å²	110	99.7 Å²	99.7	59%	0.588	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	0.9	176.6	-44.2	-22.6	0	0	0	113.8	Q1484	Q1484-D1487 WeakPolarHBondContact CA-OD2 3.35Å
1488	A	37.9	Very low	43.4	Very low	86 Å²	86	96.2 Å²	96.2	71%	0.711	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-1.9	178.9	0	0	0	0	0	114.4	L1486	L1486-A1488 PolarHBondContact O-N 2.9Å
1489	E	40	Very low	44.7	Very low	87 Å²	87	98.7 Å²	98.7	41%	0.407	48%	0.481	S	S	.	.			trans	-123.1	17	-176.1	-66.7	-167.5	153.4	0	0	114.9	L1486 I1491 H1492	L1486-E1489 PolarHBondContact O-N 2.94Å; L1486-E1489 VanDerWaalsContact O-N 3.17Å; E1489-I1491 PolarHBondContact O-N 2.9Å; E1489-H1492 PolarHBondContact O-N 2.82Å
1490	D	50.4	Low	45.9	Very low	103 Å²	103	99.2 Å²	99.2	55%	0.551	49%	0.49	S	S	*	.	H	α-helix	trans	-50.2	-35	-177.2	-88.9	-24.1	0	0	0	114.6	H1492 Y1493 E1494	D1490-H1492 PolarHBondContact O-N 2.84Å; D1490-Y1493 PolarHBondContact O-N 2.91Å; D1490-Y1493 VanDerWaalsContact O-N 3.07Å; D1490-E1494 PolarHBondContact O-N 2.84Å
1491	I	47.8	Very low	47.3	Very low	118 Å²	118	96.4 Å²	96.4	61%	0.605	47%	0.473	S	S	*	.	H	α-helix	trans	-53.3	-24.8	176.6	-60.6	173.4	0	0	0	112.6	E1489 K1495	E1489-I1491 PolarHBondContact O-N 2.9Å; I1491-K1495 VanDerWaalsContact CG2-NZ 3.32Å; I1491-K1495 WeakPolarHBondContact O-CD 3.49Å; I1491-K1495 WeakPolarHBondContact O-CE 3.26Å; I1491-K1495 WeakPolarHBondContact O-CG 3.4Å; I1491-K1495 PolarHBondContact O-NZ 2.94Å
1492	H	51.9	Low	48.9	Very low	90 Å²	90	96.2 Å²	96.2	42%	0.417	48%	0.477	S	S	.	.	H	α-helix	trans	-99.8	-32.8	176.6	-70.5	-78.6	0	0	0	113.8	E1489 D1490 K1495 M1496	E1489-H1492 PolarHBondContact O-N 2.82Å; D1490-H1492 PolarHBondContact O-N 2.84Å; H1492-K1495 PolarHBondContact O-N 2.84Å; H1492-M1496 WeakPolarHBondContact O-CG 3.46Å
1493	Y	55.9	Low	50.1	Low	84 Å²	84	96.1 Å²	96.1	33%	0.329	49%	0.49	S	S	.	.	H	α-helix	trans	-63.9	-45.3	175.2	-173.4	-104.6	0	0	0	110.5	D1490 K1495 M1496 K1501 A1504	D1490-Y1493 PolarHBondContact O-N 2.91Å; D1490-Y1493 VanDerWaalsContact O-N 3.07Å; Y1493-K1495 PolarHBondContact O-N 2.86Å; Y1493-K1495 VanDerWaalsContact O-N 3.15Å; Y1493-M1496 WeakPolarHBondContact O-CB 3.41Å; Y1493-M1496 PolarHBondContact O-N 3.24Å; Y1493-M1496 VanDerWaalsContact O-N 3.09Å; Y1493-K1501 HydrophobicContact CE1-CD 4.3Å; Y1493-K1501 HydrophobicContact CE1-CG 4.41Å; Y1493-K1501 HydrophobicContact CE2-CG 4.2Å; Y1493-K1501 WeakPolarHBondContact O-CE 3.48Å; Y1493-A1504 HydrophobicContact CE2-CB 4.27Å
1494	E	54	Low	51.3	Low	121 Å²	121	90.5 Å²	90.5	57%	0.565	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-40.7	178.4	-95.3	-68.2	87.9	0	0	113.3	D1490 M1496 K1501	D1490-E1494 PolarHBondContact O-N 2.84Å; E1494-M1496 VanDerWaalsContact C-N 3.29Å; E1494-M1496 PolarHBondContact O-N 2.88Å; E1494-K1501 WeakPolarHBondContact O-CE 3.45Å; E1494-K1501 PolarHBondContact O-NZ 3.36Å; E1494-K1501 IonicContact OE1-NZ 3.4Å; E1494-K1501 PolarHBondContact OE1-NZ 3.17Å
1495	K	51.9	Low	52.5	Low	155 Å²	155	88.2 Å²	88.2	67%	0.674	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	0.4	-174.9	-63.6	174.2	-171.5	160.2	0	114.5	I1491 H1492 Y1493	I1491-K1495 VanDerWaalsContact CG2-NZ 3.32Å; I1491-K1495 WeakPolarHBondContact O-CD 3.49Å; I1491-K1495 WeakPolarHBondContact O-CE 3.26Å; I1491-K1495 WeakPolarHBondContact O-CG 3.4Å; I1491-K1495 PolarHBondContact O-NZ 2.94Å; H1492-K1495 PolarHBondContact O-N 2.84Å; Y1493-K1495 PolarHBondContact O-N 2.86Å; Y1493-K1495 VanDerWaalsContact O-N 3.15Å
1496	M	57.6	Low	53.9	Low	25 Å²	25	83.4 Å²	83.4	12%	0.123	45%	0.453	C	S	.	.	S	Bend	trans	-80.9	139.6	179.1	-67.2	-150	170.7	0	0	113.4	H1492 Y1493 E1494 C1500 K1501 L1554 A1557	H1492-M1496 WeakPolarHBondContact O-CG 3.46Å; Y1493-M1496 WeakPolarHBondContact O-CB 3.41Å; Y1493-M1496 PolarHBondContact O-N 3.24Å; Y1493-M1496 VanDerWaalsContact O-N 3.09Å; E1494-M1496 VanDerWaalsContact C-N 3.29Å; E1494-M1496 PolarHBondContact O-N 2.88Å; M1496-C1500 HydrophobicContact CB-CB 4.06Å; M1496-C1500 HydrophobicContact SD-CB 3.96Å; M1496-K1501 HydrophobicContact CB-CG 3.87Å; M1496-K1501 VanDerWaalsContact O-CE 3.28Å; M1496-K1501 WeakPolarHBondContact O-CE 3.32Å; M1496-L1554 HydrophobicContact CE-CB 3.81Å; M1496-L1554 HydrophobicContact CE-CD2 3.63Å; M1496-L1554 HydrophobicContact CE-CG 4.3Å; M1496-L1554 WeakPolarHBondContact CE-O 3.36Å; M1496-L1554 HydrophobicContact SD-CD2 3.88Å; M1496-A1557 HydrophobicContact CE-CB 4.32Å
1497	D	66.5	Low	55.2	Low	119 Å²	119	84.5 Å²	84.5	64%	0.636	46%	0.456	S	S	*	.			trans	-61.7	154.8	169.5	-176.3	32	0	0	0	111.7	H1499 C1500 K1501	D1497-H1499 VanDerWaalsContact C-N 3.34Å; D1497-H1499 PolarHBondContact O-N 3.3Å; D1497-C1500 WeakPolarHBondContact O-CA 3.41Å; D1497-C1500 WeakPolarHBondContact O-CB 3.42Å; D1497-C1500 PolarHBondContact O-N 3Å; D1497-K1501 PolarHBondContact O-N 3.09Å
1498	G	61	Low	56.2	Low	39 Å²	39	82.6 Å²	82.6	40%	0.402	45%	0.445	S	S	.	.	H	α-helix	trans	-54.1	-45.1	-170	0	0	0	0	0	113.6	C1500 K1501 E1502	G1498-C1500 VanDerWaalsContact C-N 3.29Å; G1498-C1500 PolarHBondContact O-N 2.7Å; G1498-K1501 PolarHBondContact O-N 3.35Å; G1498-E1502 WeakPolarHBondContact O-CG 3.38Å; G1498-E1502 PolarHBondContact O-N 3.43Å
1499	H	59.5	Low	57.2	Low	135 Å²	135	83.9 Å²	83.9	63%	0.625	43%	0.434	S	S	*	.	H	α-helix	trans	-67.7	-26.4	178.5	-68.8	-40.3	0	0	0	113.8	D1497 E1502 S1503	D1497-H1499 VanDerWaalsContact C-N 3.34Å; D1497-H1499 PolarHBondContact O-N 3.3Å; H1499-E1502 IonicContact CE1-OE2 3.85Å; H1499-E1502 IonicContact CG-OE2 3.67Å; H1499-E1502 IonicContact ND1-OE2 2.85Å; H1499-E1502 PolarHBondContact ND1-OE2 2.89Å; H1499-S1503 WeakPolarHBondContact O-CB 3.36Å; H1499-S1503 PolarHBondContact O-N 3.05Å; H1499-S1503 VanDerWaalsContact O-N 3.1Å; H1499-S1503 PolarHBondContact O-OG 3.45Å
1500	C	55.9	Low	57.8	Low	57 Å²	57	81 Å²	81	39%	0.385	43%	0.425	S	S	.	.	H	α-helix	trans	-74.3	-43	172.6	-68.6	0	0	0	0	110.8	M1496 D1497 G1498 S1503 A1504	M1496-C1500 HydrophobicContact CB-CB 4.06Å; M1496-C1500 HydrophobicContact SD-CB 3.96Å; D1497-C1500 WeakPolarHBondContact O-CA 3.41Å; D1497-C1500 WeakPolarHBondContact O-CB 3.42Å; D1497-C1500 PolarHBondContact O-N 3Å; G1498-C1500 VanDerWaalsContact C-N 3.29Å; G1498-C1500 PolarHBondContact O-N 2.7Å; C1500-S1503 PolarHBondContact O-N 3.32Å; C1500-A1504 WeakPolarHBondContact O-CB 3.41Å; C1500-A1504 PolarHBondContact O-N 3.27Å
1501	K	63.5	Low	58.3	Low	51 Å²	51	77.9 Å²	77.9	22%	0.222	41%	0.408	C	S	.	.	H	α-helix	trans	-57.8	-51.1	171.3	-69.1	-174.1	174.2	178.1	0	110.7	Y1493 E1494 M1496 D1497 G1498 S1503 A1504 D1505	Y1493-K1501 HydrophobicContact CE1-CD 4.3Å; Y1493-K1501 HydrophobicContact CE1-CG 4.41Å; Y1493-K1501 HydrophobicContact CE2-CG 4.2Å; Y1493-K1501 WeakPolarHBondContact O-CE 3.48Å; E1494-K1501 WeakPolarHBondContact O-CE 3.45Å; E1494-K1501 PolarHBondContact O-NZ 3.36Å; E1494-K1501 IonicContact OE1-NZ 3.4Å; E1494-K1501 PolarHBondContact OE1-NZ 3.17Å; M1496-K1501 HydrophobicContact CB-CG 3.87Å; M1496-K1501 VanDerWaalsContact O-CE 3.28Å; M1496-K1501 WeakPolarHBondContact O-CE 3.32Å; D1497-K1501 PolarHBondContact O-N 3.09Å; G1498-K1501 PolarHBondContact O-N 3.35Å; K1501-S1503 VanDerWaalsContact C-N 3.29Å; K1501-S1503 PolarHBondContact O-N 3.25Å; K1501-A1504 PolarHBondContact O-N 3.47Å; K1501-D1505 WeakPolarHBondContact O-CB 3.44Å; K1501-D1505 PolarHBondContact O-N 3.16Å
1502	E	65.8	Low	58.6	Low	124 Å²	124	75.7 Å²	75.7	58%	0.579	40%	0.398	S	S	*	.	H	α-helix	trans	-54.2	-40.8	175.7	-73.7	179.8	139	0	0	113.3	G1498 H1499 G1506	G1498-E1502 WeakPolarHBondContact O-CG 3.38Å; G1498-E1502 PolarHBondContact O-N 3.43Å; H1499-E1502 IonicContact CE1-OE2 3.85Å; H1499-E1502 IonicContact CG-OE2 3.67Å; H1499-E1502 IonicContact ND1-OE2 2.85Å; H1499-E1502 PolarHBondContact ND1-OE2 2.89Å; E1502-G1506 PolarHBondContact O-N 3.08Å
1503	S	59	Low	58.8	Low	86 Å²	86	77.8 Å²	77.8	60%	0.601	41%	0.406	S	S	*	.	H	α-helix	trans	-72.1	-40.9	-179.7	-61.9	0	0	0	0	112.5	H1499 C1500 K1501 G1506 F1507	H1499-S1503 WeakPolarHBondContact O-CB 3.36Å; H1499-S1503 PolarHBondContact O-N 3.05Å; H1499-S1503 VanDerWaalsContact O-N 3.1Å; H1499-S1503 PolarHBondContact O-OG 3.45Å; C1500-S1503 PolarHBondContact O-N 3.32Å; K1501-S1503 VanDerWaalsContact C-N 3.29Å; K1501-S1503 PolarHBondContact O-N 3.25Å; S1503-G1506 PolarHBondContact O-N 3.12Å; S1503-F1507 PolarHBondContact O-N 3.32Å
1504	A	57.3	Low	58.7	Low	11 Å²	11	77.4 Å²	77.4	9%	0.091	41%	0.412	C	S	.	.	H	α-helix	trans	-63.5	-46.1	173.7	0	0	0	0	0	110.9	Y1493 C1500 K1501 G1506 F1507 M1508 L1554	Y1493-A1504 HydrophobicContact CE2-CB 4.27Å; C1500-A1504 WeakPolarHBondContact O-CB 3.41Å; C1500-A1504 PolarHBondContact O-N 3.27Å; K1501-A1504 PolarHBondContact O-N 3.47Å; A1504-G1506 VanDerWaalsContact C-N 3.31Å; A1504-G1506 PolarHBondContact O-N 3.29Å; A1504-F1507 PolarHBondContact O-N 3.07Å; A1504-M1508 WeakPolarHBondContact O-CG 3.3Å; A1504-M1508 PolarHBondContact O-N 3.41Å; A1504-L1554 HydrophobicContact CB-CD2 4.27Å
1505	D	62.2	Low	58.9	Low	63 Å²	63	73.5 Å²	73.5	34%	0.337	40%	0.395	S	S	.	.	H	α-helix	trans	-56.6	-44.1	173.4	-115	22.2	0	0	0	111.9	K1501 M1508 K1509	K1501-D1505 WeakPolarHBondContact O-CB 3.44Å; K1501-D1505 PolarHBondContact O-N 3.16Å; D1505-M1508 PolarHBondContact O-N 3.23Å; D1505-K1509 VanDerWaalsContact CG-NZ 3.33Å; D1505-K1509 VanDerWaalsContact O-CB 3.23Å; D1505-K1509 WeakPolarHBondContact O-CB 3.4Å; D1505-K1509 WeakPolarHBondContact O-CD 3.37Å; D1505-K1509 WeakPolarHBondContact O-CG 3.44Å; D1505-K1509 PolarHBondContact O-N 2.77Å; D1505-K1509 WeakPolarHBondContact OD2-CE 3.36Å; D1505-K1509 IonicContact OD2-NZ 3.43Å; D1505-K1509 PolarHBondContact OD2-NZ 3.07Å
1506	G	61.4	Low	59.3	Low	42 Å²	42	72 Å²	72	43%	0.433	39%	0.39	S	S	.	.	H	α-helix	trans	-61.6	-41.7	176.8	0	0	0	0	0	112.8	E1502 S1503 A1504 A1510	E1502-G1506 PolarHBondContact O-N 3.08Å; S1503-G1506 PolarHBondContact O-N 3.12Å; A1504-G1506 VanDerWaalsContact C-N 3.31Å; A1504-G1506 PolarHBondContact O-N 3.29Å; G1506-A1510 WeakPolarHBondContact O-CB 3.45Å; G1506-A1510 PolarHBondContact O-N 2.61Å
1507	F	60.2	Low	59.3	Low	69 Å²	69	72.9 Å²	72.9	30%	0.303	40%	0.401	S	S	.	.	H	α-helix	trans	-67.5	-46.9	175.5	-177.3	-90.3	0	0	0	111.9	S1503 A1504 K1509 A1510 L1511 L1550	S1503-F1507 PolarHBondContact O-N 3.32Å; A1504-F1507 PolarHBondContact O-N 3.07Å; F1507-K1509 PolarHBondContact O-N 3.05Å; F1507-A1510 WeakPolarHBondContact O-CA 3.43Å; F1507-A1510 WeakPolarHBondContact O-CB 3.43Å; F1507-A1510 PolarHBondContact O-N 3.34Å; F1507-L1511 HydrophobicContact CE1-CD1 3.78Å; F1507-L1511 HydrophobicContact CZ-CD1 4.14Å; F1507-L1511 PolarHBondContact O-N 2.84Å; F1507-L1550 HydrophobicContact CD1-CD1 3.82Å; F1507-L1550 HydrophobicContact CD1-CD2 3.76Å; F1507-L1550 HydrophobicContact CD1-CG 4.28Å; F1507-L1550 HydrophobicContact CE1-CB 4.17Å; F1507-L1550 HydrophobicContact CE1-CD1 4.15Å; F1507-L1550 HydrophobicContact CE1-CD2 3.85Å; F1507-L1550 HydrophobicContact CE1-CG 4.27Å; F1507-L1550 HydrophobicContact CG-CD1 4.21Å
1508	M	60.2	Low	59	Low	70 Å²	70	67.8 Å²	67.8	35%	0.345	37%	0.373	S	S	.	.	H	α-helix	trans	-61	-45.1	177.9	-70.2	-61.7	-73.2	0	0	111.3	L1486 A1504 D1505 A1510 L1511 D1512 L1550	L1486-M1508 HydrophobicContact CD1-CE 3.53Å; L1486-M1508 HydrophobicContact CD1-SD 4.3Å; A1504-M1508 WeakPolarHBondContact O-CG 3.3Å; A1504-M1508 PolarHBondContact O-N 3.41Å; D1505-M1508 PolarHBondContact O-N 3.23Å; M1508-A1510 PolarHBondContact O-N 3.4Å; M1508-A1510 VanDerWaalsContact O-N 3.16Å; M1508-L1511 PolarHBondContact O-N 3.31Å; M1508-D1512 WeakPolarHBondContact O-CB 3.33Å; M1508-D1512 PolarHBondContact O-N 2.83Å; M1508-L1550 HydrophobicContact SD-CD2 4.03Å
1509	K	59.4	Low	59.1	Low	112 Å²	112	68.9 Å²	68.9	49%	0.487	37%	0.37	S	S	.	.	H	α-helix	trans	-67.8	-9	174	-67.8	164.4	-168.2	168.5	0	114	D1505 F1507 K1513	D1505-K1509 VanDerWaalsContact CG-NZ 3.33Å; D1505-K1509 VanDerWaalsContact O-CB 3.23Å; D1505-K1509 WeakPolarHBondContact O-CB 3.4Å; D1505-K1509 WeakPolarHBondContact O-CD 3.37Å; D1505-K1509 WeakPolarHBondContact O-CG 3.44Å; D1505-K1509 PolarHBondContact O-N 2.77Å; D1505-K1509 WeakPolarHBondContact OD2-CE 3.36Å; D1505-K1509 IonicContact OD2-NZ 3.43Å; D1505-K1509 PolarHBondContact OD2-NZ 3.07Å; F1507-K1509 PolarHBondContact O-N 3.05Å; K1509-K1513 WeakPolarHBondContact O-CD 3.2Å; K1509-K1513 WeakPolarHBondContact O-CE 3.42Å; K1509-K1513 WeakPolarHBondContact O-CG 3.39Å; K1509-K1513 PolarHBondContact O-NZ 2.89Å
1510	A	53.2	Low	59.3	Low	27 Å²	27	66.7 Å²	66.7	22%	0.223	36%	0.361	C	S	.	.	H	α-helix	trans	-93.7	-42.6	169	0	0	0	0	0	111.4	L1314 G1506 F1507 M1508 K1513 V1514	L1314-A1510 HydrophobicContact CD2-CB 4.2Å; G1506-A1510 WeakPolarHBondContact O-CB 3.45Å; G1506-A1510 PolarHBondContact O-N 2.61Å; F1507-A1510 WeakPolarHBondContact O-CA 3.43Å; F1507-A1510 WeakPolarHBondContact O-CB 3.43Å; F1507-A1510 PolarHBondContact O-N 3.34Å; M1508-A1510 PolarHBondContact O-N 3.4Å; M1508-A1510 VanDerWaalsContact O-N 3.16Å; A1510-K1513 PolarHBondContact O-N 3.44Å; A1510-V1514 PolarHBondContact O-N 2.84Å
1511	L	59.3	Low	59.5	Low	37 Å²	37	67.4 Å²	67.4	19%	0.194	36%	0.361	C	S	.	.	H	α-helix	trans	-64.3	-39.5	178.1	-166.9	140	0	0	0	111.7	F1507 M1508 K1513 V1514 L1515 L1543	F1507-L1511 HydrophobicContact CE1-CD1 3.78Å; F1507-L1511 HydrophobicContact CZ-CD1 4.14Å; F1507-L1511 PolarHBondContact O-N 2.84Å; M1508-L1511 PolarHBondContact O-N 3.31Å; L1511-K1513 VanDerWaalsContact C-N 3.32Å; L1511-K1513 PolarHBondContact O-N 2.84Å; L1511-V1514 WeakPolarHBondContact O-CB 3.5Å; L1511-V1514 PolarHBondContact O-N 3.26Å; L1511-V1514 VanDerWaalsContact O-N 3.09Å; L1511-L1515 HydrophobicContact CD2-CD1 3.73Å; L1511-L1515 HydrophobicContact CD2-CG 4.24Å; L1511-L1515 PolarHBondContact O-N 2.97Å; L1511-L1543 HydrophobicContact CG-CD2 4.5Å
1512	D	54	Low	59.5	Low	73 Å²	73	66.8 Å²	66.8	39%	0.39	36%	0.359	S	S	.	.	H	α-helix	trans	-62.8	-36.9	176	-157.2	54.7	0	0	0	112.6	R1483 M1508 V1514 L1515 H1516	R1483-D1512 IonicContact CZ-OD1 3.79Å; R1483-D1512 IonicContact NH2-OD1 3.43Å; R1483-D1512 PolarHBondContact NH2-OD1 3.14Å; R1483-D1512 IonicContact NH2-OD2 3.83Å; M1508-D1512 WeakPolarHBondContact O-CB 3.33Å; M1508-D1512 PolarHBondContact O-N 2.83Å; D1512-V1514 VanDerWaalsContact C-N 3.32Å; D1512-V1514 PolarHBondContact O-N 2.52Å; D1512-L1515 PolarHBondContact O-N 2.84Å; D1512-H1516 WeakPolarHBondContact O-CB 3.47Å; D1512-H1516 PolarHBondContact O-N 2.9Å
1513	K	56.3	Low	59.5	Low	133 Å²	133	68.2 Å²	68.2	58%	0.578	37%	0.366	S	S	*	.	H	α-helix	trans	-68.2	-31.2	173.7	-68.2	169.3	-170.2	146	0	112.5	K1509 A1510 L1511 A1517	K1509-K1513 WeakPolarHBondContact O-CD 3.2Å; K1509-K1513 WeakPolarHBondContact O-CE 3.42Å; K1509-K1513 WeakPolarHBondContact O-CG 3.39Å; K1509-K1513 PolarHBondContact O-NZ 2.89Å; A1510-K1513 PolarHBondContact O-N 3.44Å; L1511-K1513 VanDerWaalsContact C-N 3.32Å; L1511-K1513 PolarHBondContact O-N 2.84Å; K1513-A1517 VanDerWaalsContact O-CB 3.25Å; K1513-A1517 WeakPolarHBondContact O-CB 3.43Å; K1513-A1517 PolarHBondContact O-N 2.99Å
1514	V	55.1	Low	59.5	Low	76 Å²	76	67.2 Å²	67.2	46%	0.461	35%	0.354	S	S	.	.	H	α-helix	trans	-71.7	-42.9	174.1	173.5	0	0	0	0	110.6	A1510 L1511 D1512 A1517 F1518	A1510-V1514 PolarHBondContact O-N 2.84Å; L1511-V1514 WeakPolarHBondContact O-CB 3.5Å; L1511-V1514 PolarHBondContact O-N 3.26Å; L1511-V1514 VanDerWaalsContact O-N 3.09Å; D1512-V1514 VanDerWaalsContact C-N 3.32Å; D1512-V1514 PolarHBondContact O-N 2.52Å; V1514-A1517 PolarHBondContact O-N 3.13Å; V1514-F1518 WeakPolarHBondContact O-CB 3.47Å; V1514-F1518 PolarHBondContact O-N 2.91Å
1515	L	58.2	Low	59.1	Low	39 Å²	39	70 Å²	70	20%	0.204	38%	0.384	C	S	.	.	H	α-helix	trans	-62.6	-47.6	174.6	-70.8	172.8	0	0	0	111.7	L1511 D1512 A1517 F1518 N1519 L1543	L1511-L1515 HydrophobicContact CD2-CD1 3.73Å; L1511-L1515 HydrophobicContact CD2-CG 4.24Å; L1511-L1515 PolarHBondContact O-N 2.97Å; D1512-L1515 PolarHBondContact O-N 2.84Å; L1515-A1517 VanDerWaalsContact C-N 3.35Å; L1515-A1517 PolarHBondContact O-N 3.08Å; L1515-F1518 WeakPolarHBondContact O-CB 3.21Å; L1515-F1518 PolarHBondContact O-N 2.84Å; L1515-F1518 VanDerWaalsContact O-N 3.09Å; L1515-N1519 PolarHBondContact O-N 2.84Å; L1515-N1519 PolarHBondContact O-OD1 2.81Å; L1515-L1543 HydrophobicContact CD2-CD1 3.91Å; L1515-L1543 HydrophobicContact CD2-CD2 4.14Å
1516	H	59.8	Low	59.1	Low	125 Å²	125	73 Å²	73	58%	0.579	40%	0.4	S	S	*	.	H	α-helix	trans	-60.2	-43	176.4	-176.5	64.4	0	0	0	112.3	D1512 F1518 N1519 M1520	D1512-H1516 WeakPolarHBondContact O-CB 3.47Å; D1512-H1516 PolarHBondContact O-N 2.9Å; H1516-F1518 VanDerWaalsContact C-N 3.29Å; H1516-F1518 PolarHBondContact O-N 2.9Å; H1516-N1519 PolarHBondContact O-N 2.92Å; H1516-M1520 WeakPolarHBondContact O-CG 3.46Å; H1516-M1520 PolarHBondContact O-N 2.87Å
1517	A	56.7	Low	59.2	Low	42 Å²	42	72.4 Å²	72.4	35%	0.347	39%	0.386	S	S	.	.	H	α-helix	trans	-66	-29	175.4	0	0	0	0	0	113.3	K1513 V1514 L1515 I1521	K1513-A1517 VanDerWaalsContact O-CB 3.25Å; K1513-A1517 WeakPolarHBondContact O-CB 3.43Å; K1513-A1517 PolarHBondContact O-N 2.99Å; V1514-A1517 PolarHBondContact O-N 3.13Å; L1515-A1517 VanDerWaalsContact C-N 3.35Å; L1515-A1517 PolarHBondContact O-N 3.08Å; A1517-I1521 WeakPolarHBondContact O-CD1 3.05Å; A1517-I1521 WeakPolarHBondContact O-CG1 3.49Å
1518	F	61.6	Low	59.7	Low	12 Å²	12	70.9 Å²	70.9	5%	0.053	39%	0.39	C	S	.	.	H	α-helix	trans	-73.8	-44	173.8	178.9	-121.2	0	0	0	111.9	V1514 L1515 H1516 M1520 I1521 L1522 L1535 V1536 L1539	V1514-F1518 WeakPolarHBondContact O-CB 3.47Å; V1514-F1518 PolarHBondContact O-N 2.91Å; L1515-F1518 WeakPolarHBondContact O-CB 3.21Å; L1515-F1518 PolarHBondContact O-N 2.84Å; L1515-F1518 VanDerWaalsContact O-N 3.09Å; H1516-F1518 VanDerWaalsContact C-N 3.29Å; H1516-F1518 PolarHBondContact O-N 2.9Å; F1518-M1520 VanDerWaalsContact C-N 3.31Å; F1518-M1520 PolarHBondContact O-N 2.59Å; F1518-I1521 WeakPolarHBondContact O-CA 3.5Å; F1518-I1521 WeakPolarHBondContact O-CB 3.25Å; F1518-I1521 PolarHBondContact O-N 3.47Å; F1518-L1522 HydrophobicContact CD1-CD1 4.13Å; F1518-L1522 HydrophobicContact CE1-CD1 3.57Å; F1518-L1522 HydrophobicContact CE1-CG 4.28Å; F1518-L1522 HydrophobicContact CE2-CD1 4.32Å; F1518-L1522 HydrophobicContact CE2-CD2 4.27Å; F1518-L1522 HydrophobicContact CE2-CG 4.19Å; F1518-L1522 HydrophobicContact CZ-CD1 3.68Å; F1518-L1522 HydrophobicContact CZ-CD2 4.15Å; F1518-L1522 HydrophobicContact CZ-CG 4.03Å; F1518-L1522 PolarHBondContact O-N 3.3Å; F1518-L1535 HydrophobicContact CE2-CB 4.18Å; F1518-L1535 HydrophobicContact CE2-CD2 4.41Å; F1518-V1536 HydrophobicContact CE1-CG2 4.36Å; F1518-V1536 HydrophobicContact CZ-CG2 3.91Å; F1518-L1539 HydrophobicContact CD2-CD1 3.5Å; F1518-L1539 VanDerWaalsContact CD2-CD1 3.5Å; F1518-L1539 HydrophobicContact CE2-CD1 3.36Å; F1518-L1539 HydrophobicContact CG-CD1 4.36Å; F1518-L1539 HydrophobicContact CZ-CD1 4.12Å
1519	N	61.5	Low	60.1	Low	62 Å²	62	73 Å²	73	33%	0.332	40%	0.403	S	S	.	.	H	α-helix	trans	-61.3	-40.8	175.5	-67.8	6.6	0	0	0	111	L1515 H1516 I1521 L1522 E1523	L1515-N1519 PolarHBondContact O-N 2.84Å; L1515-N1519 PolarHBondContact O-OD1 2.81Å; H1516-N1519 PolarHBondContact O-N 2.92Å; N1519-I1521 PolarHBondContact O-N 3.05Å; N1519-I1521 VanDerWaalsContact O-N 3.09Å; N1519-L1522 PolarHBondContact O-N 2.81Å; N1519-E1523 WeakPolarHBondContact O-CB 3.1Å; N1519-E1523 WeakPolarHBondContact O-CG 3.39Å; N1519-E1523 PolarHBondContact O-N 3.33Å
1520	M	64.4	Low	60.5	Low	89 Å²	89	75.8 Å²	75.8	44%	0.438	42%	0.418	S	S	.	.	H	α-helix	trans	-60.1	-17.8	171.6	-72.7	-147.1	81.4	0	0	114.8	H1516 F1518	H1516-M1520 WeakPolarHBondContact O-CG 3.46Å; H1516-M1520 PolarHBondContact O-N 2.87Å; F1518-M1520 VanDerWaalsContact C-N 3.31Å; F1518-M1520 PolarHBondContact O-N 2.59Å
1521	I	60.2	Low	60.8	Low	73 Å²	73	79.3 Å²	79.3	37%	0.374	43%	0.43	S	S	.	.	H	α-helix	trans	-90.6	-34.6	173.9	-66.7	164.7	0	0	0	110.8	A1517 F1518 N1519 L1527 L1535	A1517-I1521 WeakPolarHBondContact O-CD1 3.05Å; A1517-I1521 WeakPolarHBondContact O-CG1 3.49Å; F1518-I1521 WeakPolarHBondContact O-CA 3.5Å; F1518-I1521 WeakPolarHBondContact O-CB 3.25Å; F1518-I1521 PolarHBondContact O-N 3.47Å; N1519-I1521 PolarHBondContact O-N 3.05Å; N1519-I1521 VanDerWaalsContact O-N 3.09Å; I1521-L1527 HydrophobicContact CG2-CD2 4.18Å; I1521-L1535 HydrophobicContact CG2-CD1 4.08Å
1522	L	64.8	Low	61.5	Low	38 Å²	38	80.2 Å²	80.2	20%	0.199	43%	0.432	C	S	.	.	H	α-helix	trans	-74	-29.5	175.2	-65.6	-179.5	0	0	0	113	F1518 N1519 K1532 V1536	F1518-L1522 HydrophobicContact CD1-CD1 4.13Å; F1518-L1522 HydrophobicContact CE1-CD1 3.57Å; F1518-L1522 HydrophobicContact CE1-CG 4.28Å; F1518-L1522 HydrophobicContact CE2-CD1 4.32Å; F1518-L1522 HydrophobicContact CE2-CD2 4.27Å; F1518-L1522 HydrophobicContact CE2-CG 4.19Å; F1518-L1522 HydrophobicContact CZ-CD1 3.68Å; F1518-L1522 HydrophobicContact CZ-CD2 4.15Å; F1518-L1522 HydrophobicContact CZ-CG 4.03Å; F1518-L1522 PolarHBondContact O-N 3.3Å; N1519-L1522 PolarHBondContact O-N 2.81Å; L1522-K1532 HydrophobicContact CD2-CB 4.02Å; L1522-K1532 HydrophobicContact CD2-CG 4.19Å; L1522-K1532 WeakPolarHBondContact O-CE 3.5Å; L1522-K1532 PolarHBondContact O-NZ 3.24Å; L1522-V1536 HydrophobicContact CD1-CG2 4.15Å; L1522-V1536 HydrophobicContact CD2-CG2 4.36Å
1523	E	65.5	Low	62.2	Low	154 Å²	154	82.6 Å²	82.6	72%	0.72	44%	0.441	S	S	*	.	S	Bend	trans	-77.6	-19.1	174.5	-73.6	177	-156.6	0	0	113.6	N1519 G1525	N1519-E1523 WeakPolarHBondContact O-CB 3.1Å; N1519-E1523 WeakPolarHBondContact O-CG 3.39Å; N1519-E1523 PolarHBondContact O-N 3.33Å; E1523-G1525 PolarHBondContact O-N 2.79Å
1524	D	58.4	Low	62.8	Low	65 Å²	65	82.5 Å²	82.5	35%	0.348	44%	0.442	S	S	.	.	S	Bend	trans	-68.1	130	-179.5	-131.2	-25.8	0	0	0	109.7	R1219 D1526 L1527	R1219-D1524 IonicContact CZ-OD2 2.76Å; R1219-D1524 IonicContact NH2-OD2 2.66Å; R1219-D1524 PolarHBondContact NH2-OD2 3.03Å; D1524-D1526 PolarHBondContact O-N 3.36Å; D1524-D1526 VanDerWaalsContact O-N 3.12Å; D1524-L1527 HydrophobicContact CB-CD1 4.47Å
1525	G	47.7	Very low	63.4	Low	69 Å²	69	81.6 Å²	81.6	71%	0.711	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-7.4	-161.7	0	0	0	0	0	116	E1523	E1523-G1525 PolarHBondContact O-N 2.79Å
1526	D	62.2	Low	63.8	Low	127 Å²	127	80.9 Å²	80.9	68%	0.679	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	7.4	-171.7	-63.4	-26.3	0	0	0	113.5	Q1226 D1524	Q1226-D1526 PolarHBondContact NE2-O 2.89Å; D1524-D1526 PolarHBondContact O-N 3.36Å; D1524-D1526 VanDerWaalsContact O-N 3.12Å
1527	L	63.8	Low	64.1	Low	28 Å²	28	78.1 Å²	78.1	15%	0.147	43%	0.43	C	S	.	.			trans	-98.9	126.1	173.7	-80.7	79.5	0	0	0	111	I1521 D1524 K1532 L1535	I1521-L1527 HydrophobicContact CG2-CD2 4.18Å; D1524-L1527 HydrophobicContact CB-CD1 4.47Å; L1527-K1532 HydrophobicContact CB-CG 4.01Å; L1527-K1532 HydrophobicContact CD2-CG 4.46Å; L1527-K1532 WeakPolarHBondContact O-CE 3.44Å; L1527-L1535 HydrophobicContact CD2-CD1 3.51Å
1528	G	71.9	Confident	64.6	Low	38 Å²	38	79.5 Å²	79.5	39%	0.392	43%	0.432	S	S	.	.			trans	-77.4	158.9	170.8	0	0	0	0	0	112.6	E1530 Q1531 K1532	G1528-E1530 PolarHBondContact O-N 2.8Å; G1528-Q1531 VanDerWaalsContact N-OE1 3.14Å; G1528-Q1531 WeakPolarHBondContact O-CA 3.43Å; G1528-Q1531 VanDerWaalsContact O-CB 3.28Å; G1528-Q1531 WeakPolarHBondContact O-CB 3.01Å; G1528-Q1531 PolarHBondContact O-N 3.31Å; G1528-K1532 PolarHBondContact O-N 3.5Å; G1528-K1532 VanDerWaalsContact O-N 3.14Å
1529	D	68.8	Low	64.6	Low	115 Å²	115	81.2 Å²	81.2	62%	0.615	44%	0.441	S	S	*	.	H	α-helix	trans	-61.9	-40.5	-168.2	-56.7	-50.1	0	0	0	113.5	Q1531 K1532 E1533	D1529-Q1531 PolarHBondContact O-N 2.99Å; D1529-K1532 WeakPolarHBondContact O-CB 3.33Å; D1529-K1532 PolarHBondContact O-N 3.02Å; D1529-E1533 PolarHBondContact O-N 2.77Å
1530	E	67.5	Low	64.6	Low	170 Å²	170	79.3 Å²	79.3	79%	0.794	43%	0.432	S	S	*	.	H	α-helix	trans	-55.8	-34.9	171.8	-66.7	-171.5	152.7	0	0	112.7	G1528 H1534	G1528-E1530 PolarHBondContact O-N 2.8Å; E1530-H1534 VanDerWaalsContact O-CB 3.31Å; E1530-H1534 WeakPolarHBondContact O-CB 3.44Å; E1530-H1534 PolarHBondContact O-N 2.99Å
1531	Q	60	Low	64.7	Low	101 Å²	101	78.9 Å²	78.9	47%	0.472	44%	0.435	S	S	.	.	H	α-helix	trans	-74.6	-34.6	179.1	-57.8	175.2	-26	0	0	111.1	G1528 D1529 L1535	G1528-Q1531 VanDerWaalsContact N-OE1 3.14Å; G1528-Q1531 WeakPolarHBondContact O-CA 3.43Å; G1528-Q1531 VanDerWaalsContact O-CB 3.28Å; G1528-Q1531 WeakPolarHBondContact O-CB 3.01Å; G1528-Q1531 PolarHBondContact O-N 3.31Å; D1529-Q1531 PolarHBondContact O-N 2.99Å; Q1531-L1535 WeakPolarHBondContact O-CB 3.22Å; Q1531-L1535 PolarHBondContact O-N 2.95Å
1532	K	72.2	Confident	64.7	Low	56 Å²	56	80.6 Å²	80.6	24%	0.243	44%	0.44	C	S	.	.	H	α-helix	trans	-67.9	-47	173.5	-59.9	-169.4	-171.2	-162.5	0	110.7	L1522 L1527 G1528 D1529 H1534 L1535 V1536	L1522-K1532 HydrophobicContact CD2-CB 4.02Å; L1522-K1532 HydrophobicContact CD2-CG 4.19Å; L1522-K1532 WeakPolarHBondContact O-CE 3.5Å; L1522-K1532 PolarHBondContact O-NZ 3.24Å; L1527-K1532 HydrophobicContact CB-CG 4.01Å; L1527-K1532 HydrophobicContact CD2-CG 4.46Å; L1527-K1532 WeakPolarHBondContact O-CE 3.44Å; G1528-K1532 PolarHBondContact O-N 3.5Å; G1528-K1532 VanDerWaalsContact O-N 3.14Å; D1529-K1532 WeakPolarHBondContact O-CB 3.33Å; D1529-K1532 PolarHBondContact O-N 3.02Å; K1532-H1534 PolarHBondContact O-N 3.28Å; K1532-L1535 PolarHBondContact O-N 3.23Å; K1532-V1536 WeakPolarHBondContact O-CG2 3.47Å; K1532-V1536 PolarHBondContact O-N 2.96Å
1533	E	69.7	Low	64.6	Low	123 Å²	123	80.2 Å²	80.2	58%	0.575	44%	0.438	S	S	*	.	H	α-helix	trans	-57.6	-46.3	173.4	-71.9	-158.5	146.9	0	0	111.8	D1529 L1535 V1536 A1537	D1529-E1533 PolarHBondContact O-N 2.77Å; E1533-L1535 VanDerWaalsContact C-N 3.34Å; E1533-L1535 PolarHBondContact O-N 3.48Å; E1533-V1536 PolarHBondContact O-N 2.92Å; E1533-A1537 VanDerWaalsContact O-CB 3.3Å; E1533-A1537 WeakPolarHBondContact O-CB 3.38Å; E1533-A1537 PolarHBondContact O-N 3.49Å
1534	H	68.7	Low	64.4	Low	131 Å²	131	75.5 Å²	75.5	61%	0.606	42%	0.416	S	S	*	.	H	α-helix	trans	-63.7	-38.7	179.3	-161	87	0	0	0	112.4	E1530 K1532 L1538	E1530-H1534 VanDerWaalsContact O-CB 3.31Å; E1530-H1534 WeakPolarHBondContact O-CB 3.44Å; E1530-H1534 PolarHBondContact O-N 2.99Å; K1532-H1534 PolarHBondContact O-N 3.28Å; H1534-L1538 VanDerWaalsContact O-CB 3.27Å; H1534-L1538 WeakPolarHBondContact O-CB 3.37Å; H1534-L1538 PolarHBondContact O-N 3.21Å
1535	L	67	Low	64.8	Low	56 Å²	56	76.9 Å²	76.9	29%	0.293	42%	0.423	S	S	.	.	H	α-helix	trans	-63.6	-46.5	173.6	-94.4	163.4	0	0	0	112.4	F1518 I1521 L1527 Q1531 K1532 E1533 L1538 L1539	F1518-L1535 HydrophobicContact CE2-CB 4.18Å; F1518-L1535 HydrophobicContact CE2-CD2 4.41Å; I1521-L1535 HydrophobicContact CG2-CD1 4.08Å; L1527-L1535 HydrophobicContact CD2-CD1 3.51Å; Q1531-L1535 WeakPolarHBondContact O-CB 3.22Å; Q1531-L1535 PolarHBondContact O-N 2.95Å; K1532-L1535 PolarHBondContact O-N 3.23Å; E1533-L1535 VanDerWaalsContact C-N 3.34Å; E1533-L1535 PolarHBondContact O-N 3.48Å; L1535-L1538 PolarHBondContact O-N 3.25Å; L1535-L1539 HydrophobicContact CD2-CD1 4.25Å; L1535-L1539 PolarHBondContact O-N 3.13Å; L1535-L1539 VanDerWaalsContact O-N 3.11Å
1536	V	68.2	Low	65.4	Low	24 Å²	24	75.1 Å²	75.1	15%	0.145	40%	0.402	C	S	.	.	H	α-helix	trans	-62	-45.1	176.8	171	0	0	0	0	110.9	I1477 F1518 L1522 K1532 E1533 L1538 L1539 T1540	I1477-V1536 HydrophobicContact CD1-CG1 4.22Å; F1518-V1536 HydrophobicContact CE1-CG2 4.36Å; F1518-V1536 HydrophobicContact CZ-CG2 3.91Å; L1522-V1536 HydrophobicContact CD1-CG2 4.15Å; L1522-V1536 HydrophobicContact CD2-CG2 4.36Å; K1532-V1536 WeakPolarHBondContact O-CG2 3.47Å; K1532-V1536 PolarHBondContact O-N 2.96Å; E1533-V1536 PolarHBondContact O-N 2.92Å; V1536-L1538 VanDerWaalsContact C-N 3.31Å; V1536-L1538 PolarHBondContact O-N 3.11Å; V1536-L1539 PolarHBondContact O-N 2.85Å; V1536-T1540 VanDerWaalsContact O-CB 3.28Å; V1536-T1540 WeakPolarHBondContact O-CB 3.25Å; V1536-T1540 PolarHBondContact O-N 3.33Å; V1536-T1540 PolarHBondContact O-OG1 2.97Å
1537	A	65.8	Low	65.2	Low	67 Å²	67	71.5 Å²	71.5	55%	0.554	38%	0.381	S	S	*	.	H	α-helix	trans	-63.2	-34.2	178.2	0	0	0	0	0	113.1	E1533 P1541	E1533-A1537 VanDerWaalsContact O-CB 3.3Å; E1533-A1537 WeakPolarHBondContact O-CB 3.38Å; E1533-A1537 PolarHBondContact O-N 3.49Å; A1537-P1541 WeakPolarHBondContact O-CD 3.3Å; A1537-P1541 WeakPolarHBondContact O-CG 3.45Å
1538	L	66.5	Low	65.3	Low	72 Å²	72	76.3 Å²	76.3	38%	0.377	40%	0.401	S	S	.	.	H	α-helix	trans	-80.6	-29.6	-178.1	-159.2	155	0	0	0	112.8	H1534 L1535 V1536	H1534-L1538 VanDerWaalsContact O-CB 3.27Å; H1534-L1538 WeakPolarHBondContact O-CB 3.37Å; H1534-L1538 PolarHBondContact O-N 3.21Å; L1535-L1538 PolarHBondContact O-N 3.25Å; V1536-L1538 VanDerWaalsContact C-N 3.31Å; V1536-L1538 PolarHBondContact O-N 3.11Å
1539	L	61	Low	65.1	Low	47 Å²	47	82.7 Å²	82.7	25%	0.246	41%	0.413	C	S	.	.	H	α-helix	trans	-96.6	-35.5	-177.4	-80.6	161.3	0	0	0	114.8	F1518 L1535 V1536 K1542 L1543	F1518-L1539 HydrophobicContact CD2-CD1 3.5Å; F1518-L1539 VanDerWaalsContact CD2-CD1 3.5Å; F1518-L1539 HydrophobicContact CE2-CD1 3.36Å; F1518-L1539 HydrophobicContact CG-CD1 4.36Å; F1518-L1539 HydrophobicContact CZ-CD1 4.12Å; L1535-L1539 HydrophobicContact CD2-CD1 4.25Å; L1535-L1539 PolarHBondContact O-N 3.13Å; L1535-L1539 VanDerWaalsContact O-N 3.11Å; V1536-L1539 PolarHBondContact O-N 2.85Å; L1539-K1542 WeakPolarHBondContact O-CB 3.46Å; L1539-K1542 PolarHBondContact O-N 3.43Å; L1539-L1543 PolarHBondContact O-N 3.11Å
1540	T	63.3	Low	64.7	Low	22 Å²	22	78.5 Å²	78.5	14%	0.135	39%	0.39	C	S	.	.	H	α-helix	trans	-55.4	-45.9	-176.7	-57.1	0	0	0	0	113.2	V1536 K1542 L1543 E1544	V1536-T1540 VanDerWaalsContact O-CB 3.28Å; V1536-T1540 WeakPolarHBondContact O-CB 3.25Å; V1536-T1540 PolarHBondContact O-N 3.33Å; V1536-T1540 PolarHBondContact O-OG1 2.97Å; T1540-K1542 PolarHBondContact O-N 2.68Å; T1540-L1543 PolarHBondContact O-N 3.23Å; T1540-E1544 PolarHBondContact O-N 3.41Å
1541	P	65.6	Low	64.3	Low	80 Å²	80	72.4 Å²	72.4	52%	0.519	37%	0.365	S	S	.	.	H	α-helix	trans	-65	-26.3	177.3	-21.1	34.1	0	0	0	113.8	A1537 L1545	A1537-P1541 WeakPolarHBondContact O-CD 3.3Å; A1537-P1541 WeakPolarHBondContact O-CG 3.45Å; P1541-L1545 WeakPolarHBondContact O-CB 3.49Å; P1541-L1545 PolarHBondContact O-N 3.12Å; P1541-L1545 VanDerWaalsContact O-N 3.17Å
1542	K	60.7	Low	64.6	Low	110 Å²	110	72.3 Å²	72.3	48%	0.478	37%	0.367	S	S	.	.	H	α-helix	trans	-78.3	-40.2	179.4	-62.5	-177.7	-179.5	-177.4	0	111.3	L1539 T1540 L1545 A1546	L1539-K1542 WeakPolarHBondContact O-CB 3.46Å; L1539-K1542 PolarHBondContact O-N 3.43Å; T1540-K1542 PolarHBondContact O-N 2.68Å; K1542-L1545 PolarHBondContact O-N 3.21Å; K1542-A1546 PolarHBondContact O-N 2.98Å
1543	L	63	Low	64	Low	30 Å²	30	72.1 Å²	72.1	16%	0.157	38%	0.376	C	S	.	.	H	α-helix	trans	-62.6	-44.5	172.4	-78.9	160.2	0	0	0	111.3	L1511 L1515 L1539 T1540 L1545 A1546 Q1547	L1511-L1543 HydrophobicContact CG-CD2 4.5Å; L1515-L1543 HydrophobicContact CD2-CD1 3.91Å; L1515-L1543 HydrophobicContact CD2-CD2 4.14Å; L1539-L1543 PolarHBondContact O-N 3.11Å; T1540-L1543 PolarHBondContact O-N 3.23Å; L1543-L1545 VanDerWaalsContact C-N 3.34Å; L1543-L1545 PolarHBondContact O-N 3.13Å; L1543-A1546 WeakPolarHBondContact O-CB 3.38Å; L1543-A1546 PolarHBondContact O-N 3.04Å; L1543-A1546 VanDerWaalsContact O-N 3.15Å; L1543-Q1547 PolarHBondContact O-N 3.26Å
1544	E	60.3	Low	63.3	Low	54 Å²	54	68.2 Å²	68.2	25%	0.252	36%	0.359	S	S	.	.	H	α-helix	trans	-62.1	-39	175.5	-74.2	-175.3	-157	0	0	113.4	R1482 T1540 A1546 Q1547 K1548	R1482-E1544 IonicContact CZ-OE1 3.8Å; R1482-E1544 IonicContact NH1-OE1 2.68Å; R1482-E1544 PolarHBondContact NH1-OE1 3.21Å; R1482-E1544 IonicContact NH2-OE1 2.64Å; R1482-E1544 PolarHBondContact NH2-OE1 3.15Å; T1540-E1544 PolarHBondContact O-N 3.41Å; E1544-A1546 VanDerWaalsContact C-N 3.3Å; E1544-A1546 PolarHBondContact O-N 3.02Å; E1544-Q1547 PolarHBondContact O-N 3.42Å; E1544-K1548 VanDerWaalsContact O-CB 3.28Å; E1544-K1548 WeakPolarHBondContact O-CB 3.45Å; E1544-K1548 WeakPolarHBondContact O-CD 3.37Å; E1544-K1548 WeakPolarHBondContact O-CG 3.43Å; E1544-K1548 PolarHBondContact O-N 3.26Å; E1544-K1548 IonicContact OE2-NZ 2.91Å; E1544-K1548 PolarHBondContact OE2-NZ 3.39Å
1545	L	67.8	Low	62.6	Low	94 Å²	94	69.6 Å²	69.6	49%	0.492	36%	0.359	S	S	.	.	H	α-helix	trans	-67	-33	176	-176.2	61.6	0	0	0	111.9	P1541 K1542 L1543 R1549	P1541-L1545 WeakPolarHBondContact O-CB 3.49Å; P1541-L1545 PolarHBondContact O-N 3.12Å; P1541-L1545 VanDerWaalsContact O-N 3.17Å; K1542-L1545 PolarHBondContact O-N 3.21Å; L1543-L1545 VanDerWaalsContact C-N 3.34Å; L1543-L1545 PolarHBondContact O-N 3.13Å; L1545-R1549 WeakPolarHBondContact O-CB 3.33Å; L1545-R1549 WeakPolarHBondContact O-CD 3.19Å; L1545-R1549 VanDerWaalsContact O-CG 3.22Å; L1545-R1549 WeakPolarHBondContact O-CG 3.45Å; L1545-R1549 PolarHBondContact O-N 3.43Å
1546	A	60.4	Low	62.2	Low	33 Å²	33	72.8 Å²	72.8	27%	0.273	37%	0.372	S	S	.	.	H	α-helix	trans	-68.9	-47.9	173.8	0	0	0	0	0	111.6	K1542 L1543 E1544 R1549 L1550	K1542-A1546 PolarHBondContact O-N 2.98Å; L1543-A1546 WeakPolarHBondContact O-CB 3.38Å; L1543-A1546 PolarHBondContact O-N 3.04Å; L1543-A1546 VanDerWaalsContact O-N 3.15Å; E1544-A1546 VanDerWaalsContact C-N 3.3Å; E1544-A1546 PolarHBondContact O-N 3.02Å; A1546-R1549 PolarHBondContact O-N 2.77Å; A1546-L1550 PolarHBondContact O-N 2.76Å
1547	Q	57.8	Low	61.5	Low	50 Å²	50	74.4 Å²	74.4	23%	0.234	39%	0.388	C	S	.	.	H	α-helix	trans	-60.4	-48.4	177.2	-170.4	175	10.9	0	0	111.5	L1543 E1544 R1549 L1550 T1551	L1543-Q1547 PolarHBondContact O-N 3.26Å; E1544-Q1547 PolarHBondContact O-N 3.42Å; Q1547-R1549 PolarHBondContact O-N 2.94Å; Q1547-L1550 WeakPolarHBondContact O-CB 3.47Å; Q1547-L1550 PolarHBondContact O-N 3.29Å; Q1547-T1551 PolarHBondContact O-N 3.34Å; Q1547-T1551 PolarHBondContact O-OG1 2.81Å
1548	K	65.4	Low	60.7	Low	129 Å²	129	73.5 Å²	73.5	56%	0.561	38%	0.378	S	S	*	.	H	α-helix	trans	-60.1	-30.1	177	-72.3	162.2	-176.9	158.6	0	112.9	E1544 L1552	E1544-K1548 VanDerWaalsContact O-CB 3.28Å; E1544-K1548 WeakPolarHBondContact O-CB 3.45Å; E1544-K1548 WeakPolarHBondContact O-CD 3.37Å; E1544-K1548 WeakPolarHBondContact O-CG 3.43Å; E1544-K1548 PolarHBondContact O-N 3.26Å; E1544-K1548 IonicContact OE2-NZ 2.91Å; E1544-K1548 PolarHBondContact OE2-NZ 3.39Å; K1548-L1552 WeakPolarHBondContact O-CB 3.45Å; K1548-L1552 PolarHBondContact O-N 2.91Å
1549	R	66.4	Low	59.7	Low	173 Å²	173	75.9 Å²	75.9	65%	0.653	39%	0.387	S	S	*	.	H	α-helix	trans	-75.6	-37.6	173.4	-77.4	172.5	176.5	-161.5	-2.1	112.7	L1545 A1546 Q1547 A1553	L1545-R1549 WeakPolarHBondContact O-CB 3.33Å; L1545-R1549 WeakPolarHBondContact O-CD 3.19Å; L1545-R1549 VanDerWaalsContact O-CG 3.22Å; L1545-R1549 WeakPolarHBondContact O-CG 3.45Å; L1545-R1549 PolarHBondContact O-N 3.43Å; A1546-R1549 PolarHBondContact O-N 2.77Å; Q1547-R1549 PolarHBondContact O-N 2.94Å; R1549-A1553 WeakPolarHBondContact O-CB 3.36Å; R1549-A1553 PolarHBondContact O-N 3.06Å
1550	L	62	Low	58.5	Low	26 Å²	26	78.5 Å²	78.5	14%	0.136	41%	0.405	C	S	.	.	H	α-helix	trans	-61.8	-55.1	175	-177.1	70.7	0	0	0	110.5	F1507 M1508 A1546 Q1547 L1552 A1553 L1554	F1507-L1550 HydrophobicContact CD1-CD1 3.82Å; F1507-L1550 HydrophobicContact CD1-CD2 3.76Å; F1507-L1550 HydrophobicContact CD1-CG 4.28Å; F1507-L1550 HydrophobicContact CE1-CB 4.17Å; F1507-L1550 HydrophobicContact CE1-CD1 4.15Å; F1507-L1550 HydrophobicContact CE1-CD2 3.85Å; F1507-L1550 HydrophobicContact CE1-CG 4.27Å; F1507-L1550 HydrophobicContact CG-CD1 4.21Å; M1508-L1550 HydrophobicContact SD-CD2 4.03Å; A1546-L1550 PolarHBondContact O-N 2.76Å; Q1547-L1550 WeakPolarHBondContact O-CB 3.47Å; Q1547-L1550 PolarHBondContact O-N 3.29Å; L1550-L1552 VanDerWaalsContact C-N 3.27Å; L1550-L1552 PolarHBondContact O-N 2.94Å; L1550-A1553 PolarHBondContact O-N 3.35Å; L1550-L1554 HydrophobicContact CD1-CD1 4.33Å; L1550-L1554 HydrophobicContact CD1-CG 4.27Å; L1550-L1554 HydrophobicContact CD2-CD1 4.32Å; L1550-L1554 HydrophobicContact CG-CD1 3.87Å; L1550-L1554 HydrophobicContact CG-CG 4.2Å; L1550-L1554 WeakPolarHBondContact O-CG 3.29Å; L1550-L1554 PolarHBondContact O-N 2.58Å
1551	T	59	Low	57.1	Low	42 Å²	42	83.2 Å²	83.2	26%	0.258	44%	0.435	S	S	.	.	H	α-helix	trans	-54.1	-43.6	178.8	-54	0	0	0	0	111.9	Q1547 A1553 L1554 R1555	Q1547-T1551 PolarHBondContact O-N 3.34Å; Q1547-T1551 PolarHBondContact O-OG1 2.81Å; T1551-A1553 PolarHBondContact O-N 3.39Å; T1551-L1554 PolarHBondContact O-N 3.05Å; T1551-R1555 WeakPolarHBondContact O-CB 3.45Å; T1551-R1555 PolarHBondContact O-N 2.99Å
1552	L	65.3	Low	55.4	Low	100 Å²	100	85.2 Å²	85.2	52%	0.524	45%	0.446	S	S	.	.	H	α-helix	trans	-67.2	-36.7	179.2	-163.7	151.6	0	0	0	112.3	K1548 L1550 Q1556	K1548-L1552 WeakPolarHBondContact O-CB 3.45Å; K1548-L1552 PolarHBondContact O-N 2.91Å; L1550-L1552 VanDerWaalsContact C-N 3.27Å; L1550-L1552 PolarHBondContact O-N 2.94Å; L1552-Q1556 HydrophobicContact CD2-CG 4.31Å; L1552-Q1556 WeakPolarHBondContact O-CB 3.34Å; L1552-Q1556 WeakPolarHBondContact O-CG 3.47Å; L1552-Q1556 PolarHBondContact O-N 3.28Å
1553	A	59.8	Low	53.9	Low	52 Å²	52	89.8 Å²	89.8	43%	0.43	46%	0.46	S	S	.	.	H	α-helix	trans	-71.1	-42	174.8	0	0	0	0	0	112.8	R1549 L1550 T1551 R1555 Q1556 A1557	R1549-A1553 WeakPolarHBondContact O-CB 3.36Å; R1549-A1553 PolarHBondContact O-N 3.06Å; L1550-A1553 PolarHBondContact O-N 3.35Å; T1551-A1553 PolarHBondContact O-N 3.39Å; A1553-R1555 VanDerWaalsContact C-N 3.32Å; A1553-R1555 PolarHBondContact O-N 3.04Å; A1553-Q1556 PolarHBondContact O-N 3.02Å; A1553-A1557 PolarHBondContact O-N 3.39Å
1554	L	54.5	Low	52.4	Low	41 Å²	41	95.8 Å²	95.8	22%	0.215	49%	0.491	C	S	.	.	H	α-helix	trans	-60.8	-43.2	175.8	-67.5	174.2	0	0	0	110.8	M1496 A1504 L1550 T1551 A1557 S1558	M1496-L1554 HydrophobicContact CE-CB 3.81Å; M1496-L1554 HydrophobicContact CE-CD2 3.63Å; M1496-L1554 HydrophobicContact CE-CG 4.3Å; M1496-L1554 WeakPolarHBondContact CE-O 3.36Å; M1496-L1554 HydrophobicContact SD-CD2 3.88Å; A1504-L1554 HydrophobicContact CB-CD2 4.27Å; L1550-L1554 HydrophobicContact CD1-CD1 4.33Å; L1550-L1554 HydrophobicContact CD1-CG 4.27Å; L1550-L1554 HydrophobicContact CD2-CD1 4.32Å; L1550-L1554 HydrophobicContact CG-CD1 3.87Å; L1550-L1554 HydrophobicContact CG-CG 4.2Å; L1550-L1554 WeakPolarHBondContact O-CG 3.29Å; L1550-L1554 PolarHBondContact O-N 2.58Å; T1551-L1554 PolarHBondContact O-N 3.05Å; L1554-A1557 WeakPolarHBondContact O-CB 3.16Å; L1554-A1557 PolarHBondContact O-N 2.82Å; L1554-S1558 PolarHBondContact O-N 3.38Å
1555	R	54.2	Low	50.7	Low	159 Å²	159	99.5 Å²	99.5	60%	0.6	51%	0.509	S	S	*	.	H	α-helix	trans	-61.6	-47.8	174.4	-176.4	171.8	179.3	147.7	3.6	112.4	T1551 A1553 A1557 S1558 E1559	T1551-R1555 WeakPolarHBondContact O-CB 3.45Å; T1551-R1555 PolarHBondContact O-N 2.99Å; A1553-R1555 VanDerWaalsContact C-N 3.32Å; A1553-R1555 PolarHBondContact O-N 3.04Å; R1555-A1557 PolarHBondContact O-N 3.42Å; R1555-S1558 PolarHBondContact O-N 3.02Å; R1555-S1558 PolarHBondContact O-OG 3.28Å; R1555-E1559 WeakPolarHBondContact CG-OE1 3.34Å; R1555-E1559 IonicContact CZ-OE1 3.21Å; R1555-E1559 IonicContact NE-OE1 2.68Å; R1555-E1559 PolarHBondContact NE-OE1 3.06Å; R1555-E1559 IonicContact NH2-OE1 3.92Å; R1555-E1559 PolarHBondContact O-N 3.42Å
1556	Q	60	Low	49.1	Very low	124 Å²	124	101.1 Å²	101.1	58%	0.579	53%	0.525	S	S	*	.	H	α-helix	trans	-61.8	-29	176.3	-77.8	-179.5	-16.7	0	0	113.4	L1552 A1553	L1552-Q1556 HydrophobicContact CD2-CG 4.31Å; L1552-Q1556 WeakPolarHBondContact O-CB 3.34Å; L1552-Q1556 WeakPolarHBondContact O-CG 3.47Å; L1552-Q1556 PolarHBondContact O-N 3.28Å; A1553-Q1556 PolarHBondContact O-N 3.02Å
1557	A	53.5	Low	47.8	Very low	57 Å²	57	106.7 Å²	106.7	47%	0.471	56%	0.555	S	S	.	*	H	α-helix	trans	-72.2	-31.2	173.3	0	0	0	0	0	112.8	M1496 A1553 L1554 R1555	M1496-A1557 HydrophobicContact CE-CB 4.32Å; A1553-A1557 PolarHBondContact O-N 3.39Å; L1554-A1557 WeakPolarHBondContact O-CB 3.16Å; L1554-A1557 PolarHBondContact O-N 2.82Å; R1555-A1557 PolarHBondContact O-N 3.42Å
1558	S	47.3	Very low	46.4	Very low	49 Å²	49	107.3 Å²	107.3	34%	0.343	58%	0.575	S	S	.	*	H	α-helix	trans	-83.4	-17.9	-178.7	72.1	0	0	0	0	114.9	L1554 R1555 V1560	L1554-S1558 PolarHBondContact O-N 3.38Å; R1555-S1558 PolarHBondContact O-N 3.02Å; R1555-S1558 PolarHBondContact O-OG 3.28Å; S1558-V1560 VanDerWaalsContact C-N 3.3Å; S1558-V1560 PolarHBondContact O-N 3.06Å
1559	E	46	Very low	45	Very low	122 Å²	122	108.5 Å²	108.5	57%	0.57	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	9.1	-177.9	-71	175.5	-175.1	0	0	113.8	R1555 P1561	R1555-E1559 WeakPolarHBondContact CG-OE1 3.34Å; R1555-E1559 IonicContact CZ-OE1 3.21Å; R1555-E1559 IonicContact NE-OE1 2.68Å; R1555-E1559 PolarHBondContact NE-OE1 3.06Å; R1555-E1559 IonicContact NH2-OE1 3.92Å; R1555-E1559 PolarHBondContact O-N 3.42Å; E1559-P1561 WeakPolarHBondContact O-CD 3.47Å
1560	V	35.5	Very low	43.5	Very low	102 Å²	102	106.4 Å²	106.4	62%	0.618	59%	0.594	S	S	*	*			trans	-110.3	101.4	-176.8	-175.7	0	0	0	0	112.7	S1558 V1562	S1558-V1560 VanDerWaalsContact C-N 3.3Å; S1558-V1560 PolarHBondContact O-N 3.06Å; V1560-V1562 PolarHBondContact O-N 2.74Å
1561	P	33.9	Very low	42.2	Very low	120 Å²	120	108.7 Å²	108.7	78%	0.779	62%	0.617	S	S	*	*			trans	-78.4	111.1	179.6	29.9	-34	0	0	0	112.7	E1559 R1563	E1559-P1561 WeakPolarHBondContact O-CD 3.47Å; P1561-R1563 PolarHBondContact O-N 3.12Å
1562	V	31.6	Very low	40.9	Very low	123 Å²	123	114 Å²	114	75%	0.745	64%	0.644	S	S	*	*			trans	-84.6	96.4	175.3	-177.9	0	0	0	0	110.5	V1560 L1564	V1560-V1562 PolarHBondContact O-N 2.74Å; V1562-L1564 HydrophobicContact CG1-CG 4.32Å
1563	R	27.9	Very low	39.3	Very low	206 Å²	206	116.3 Å²	116.3	78%	0.777	66%	0.657	S	S	*	*			trans	-88	117.6	177.6	-173.4	173.6	176.2	159.5	0.2	111.1	P1561 E1565	P1561-R1563 PolarHBondContact O-N 3.12Å; R1563-E1565 IonicContact CZ-OE1 2.68Å; R1563-E1565 IonicContact NE-OE1 3.56Å; R1563-E1565 PolarHBondContact NE-OE1 2.89Å; R1563-E1565 IonicContact NH2-OE1 2.76Å; R1563-E1565 PolarHBondContact NH2-OE1 3.18Å
1564	L	31.3	Very low	37.9	Very low	155 Å²	155	119.5 Å²	119.5	81%	0.812	67%	0.67	S	S	*	*			trans	-117.8	106.7	175.9	-71.4	172.2	0	0	0	110.3	V1562	V1562-L1564 HydrophobicContact CG1-CG 4.32Å
1565	E	25.9	Very low	36.7	Very low	133 Å²	133	121.7 Å²	121.7	62%	0.621	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-83.5	133.6	177.3	-58.5	-91.7	142.8	0	0	110.3	R1563	R1563-E1565 IonicContact CZ-OE1 2.68Å; R1563-E1565 IonicContact NE-OE1 3.56Å; R1563-E1565 PolarHBondContact NE-OE1 2.89Å; R1563-E1565 IonicContact NH2-OE1 2.76Å; R1563-E1565 PolarHBondContact NH2-OE1 3.18Å
1566	P	33.1	Very low	35.6	Very low	127 Å²	127	122.4 Å²	122.4	83%	0.825	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-85.2	124.9	175.3	32.4	-31.6	0	0	0	111.7
1567	V	33.2	Very low	34.1	Very low	151 Å²	151	120.9 Å²	120.9	92%	0.915	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-92.4	120.6	164.9	-176.9	0	0	0	0	107.7
1568	G	29.6	Very low	32.9	Very low	62 Å²	62	123.9 Å²	123.9	64%	0.639	73%	0.729	S	S	*	*			trans	-104.6	172.7	-178.9	0	0	0	0	0	113.5
1569	D	35.1	Very low	32	Very low	154 Å²	154	128.4 Å²	128.4	82%	0.824	75%	0.745	S	S	*	*			trans	-162.4	142.1	147.1	-110.2	-30.4	0	0	0	110.4
1570	T	35	Very low	31.1	Very low	129 Å²	129	132 Å²	132	79%	0.791	75%	0.753	S	S	*	*			trans	13.6	151.5	156.8	58.5	0	0	0	0	122.9
1571	A	33.9	Very low	30.6	Very low	74 Å²	74	140.4 Å²	140.4	61%	0.612	78%	0.782	S	S	*	*			cis	-169.9	160.1	-18.9	0	0	0	0	0	110.4
1572	D	32.8	Very low	30.5	Very low	155 Å²	155	141.4 Å²	141.4	83%	0.829	78%	0.782	S	S	*	*			trans	66.1	149.8	151.1	-52.8	-23.6	0	0	0	124.3
1573	D	31.6	Very low	30.4	Very low	148 Å²	148	142.4 Å²	142.4	79%	0.791	78%	0.784	S	S	*	*			trans	76.5	83.9	158.7	-70.8	-1.9	0	0	0	124.7
1574	V	31.2	Very low	30.6	Very low	118 Å²	118	138.8 Å²	138.8	72%	0.715	78%	0.784	S	S	*	*				87.4	116.4	107.5	164.8	0	0	0	0	121
1575	S	28.3	Very low	30.5	Very low	88 Å²	88	137.9 Å²	137.9	62%	0.615	78%	0.783	S	S	*	*			trans	38	108.6	153.9	69.4	0	0	0	0	121.1
1576	H	30.8	Very low	30.8	Very low	174 Å²	174	138.2 Å²	138.2	81%	0.806	79%	0.793	S	S	*	*				-178.5	93.6	95	-96.4	-70.7	0	0	0	110.3	T1578	H1576-T1578 PolarHBondContact O-N 2.87Å; H1576-T1578 VanDerWaalsContact O-N 3.11Å
1577	G	29.6	Very low	30.6	Very low	92 Å²	92	138.9 Å²	138.9	95%	0.948	79%	0.79	S	S	*	*			trans	-82.7	79.6	-178	0	0	0	0	0	113.6
1578	T	28.3	Very low	30.5	Very low	120 Å²	120	138.1 Å²	138.1	74%	0.736	78%	0.782	S	S	*	*			trans	-87	149	161.2	47.1	0	0	0	0	111.4	H1576	H1576-T1578 PolarHBondContact O-N 2.87Å; H1576-T1578 VanDerWaalsContact O-N 3.11Å
1579	E	27.8	Very low	30.5	Very low	143 Å²	143	143.9 Å²	143.9	67%	0.668	79%	0.793	S	S	*	*	S	Bend	trans	76.3	127.3	170.7	-56.9	-156.7	159	0	0	119.1
1580	R	26.7	Very low	30.1	Very low	197 Å²	197	143.1 Å²	143.1	74%	0.743	79%	0.79	S	S	*	*			trans	58.4	101.8	135.6	-64.5	170.7	172.2	129.8	2.6	118.3
1581	F	25.9	Very low	29.7	Very low	279 Å²	279	144.4 Å²	144.4	100%	1.224	79%	0.79	S	S	*	*			trans	-118.3	0	140.1	-92.2	-93.8	0	0	0	108.4

Retrieved 1,581 of 1,581 residues in 636.9 ms (Link to these results)

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