A0A077ZGR0_TRITR Loading...

Transmembrane protein TMEM132 fifth domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZGR0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 510 aa.

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(Predicted Aligned Error values between residue pairs)

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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	35.1	Very low	32.6	Very low	239 Å²	239	168.2 Å²	168.2	100%	1.177	79%	0.785	S	S	*	*				0	139.8	0	-75.5	168.7	163	0	0	107.5
2	E	32.9	Very low	32.5	Very low	166 Å²	166	169.4 Å²	169.4	78%	0.776	79%	0.787	S	S	*	*			trans	-55.9	141.7	-176.9	-77.8	97.1	143.3	0	0	113.3
3	R	37.1	Very low	32.2	Very low	217 Å²	217	163.2 Å²	163.2	82%	0.819	77%	0.774	S	S	*	*				72.6	97.5	51.2	-175.3	-144.8	-77	179.2	-3.5	112.5
4	N	34.3	Very low	32.1	Very low	137 Å²	137	161.3 Å²	161.3	73%	0.733	77%	0.771	S	S	*	*			trans	-173.1	158	132.4	-101.7	-2.7	0	0	0	114.1
5	E	35.4	Very low	32.2	Very low	159 Å²	159	160.4 Å²	160.4	74%	0.743	76%	0.762	S	S	*	*			trans	69	151.5	153.5	-72.3	-179.7	149.5	0	0	123.4
6	H	34.6	Very low	32.3	Very low	170 Å²	170	163.5 Å²	163.5	79%	0.787	76%	0.764	S	S	*	*			trans	68.8	152.2	165.6	-64.9	-33	0	0	0	119.6
7	K	32.4	Very low	32.2	Very low	165 Å²	165	165.6 Å²	165.6	72%	0.717	77%	0.771	S	S	*	*			cis	-170.4	126.7	-24.2	171.6	176.4	172.5	-178.2	0	110.4
8	L	31	Very low	32.3	Very low	132 Å²	132	161.6 Å²	161.6	69%	0.691	76%	0.764	S	S	*	*			trans	62.4	152.6	159.2	-73.3	175.3	0	0	0	121.6
9	D	30.1	Very low	32.2	Very low	119 Å²	119	162.1 Å²	162.1	64%	0.636	77%	0.772	S	S	*	*			trans	67.1	98.1	144.6	-61.5	-15.9	0	0	0	122.9
10	N	30.5	Very low	32	Very low	140 Å²	140	157 Å²	157	75%	0.749	76%	0.764	S	S	*	*				92.3	151.7	117	-76.5	-43.3	0	0	0	122.5
11	Y	25.8	Very low	32	Very low	206 Å²	206	156.1 Å²	156.1	81%	0.808	77%	0.768	S	S	*	*			trans	81.5	140.9	157	-105.1	-77.3	0	0	0	120.3
12	F	30.4	Very low	31.8	Very low	183 Å²	183	152.1 Å²	152.1	80%	0.803	75%	0.752	S	S	*	*			trans	64.7	151.6	179	-74.9	-103	0	0	0	117
13	S	29.1	Very low	31.9	Very low	89 Å²	89	149.5 Å²	149.5	62%	0.622	75%	0.752	S	S	*	*			cis	168.5	129.3	-30.5	-95	0	0	0	0	107.2
14	D	31.5	Very low	31.7	Very low	136 Å²	136	146.9 Å²	146.9	73%	0.727	75%	0.749	S	S	*	*			trans	172.7	158.4	168.5	-98.9	-8.6	0	0	0	109.8
15	K	33.1	Very low	31.6	Very low	148 Å²	148	147 Å²	147	64%	0.643	75%	0.75	S	S	*	*			cis	-171.6	143.1	-12.6	-114.5	169.6	-174.6	84.3	0	104.4
16	R	33.8	Very low	31.6	Very low	210 Å²	210	148.3 Å²	148.3	79%	0.792	76%	0.755	S	S	*	*			cis	-130.5	-164.4	12.3	-66.6	108.6	-175.6	-167.4	3.4	108.1
17	F	31	Very low	31.6	Very low	200 Å²	200	149.2 Å²	149.2	88%	0.877	76%	0.76	S	S	*	*			cis	64.6	134.8	27.5	-69.2	-93.5	0	0	0	115.4
18	S	33.2	Very low	31.9	Very low	93 Å²	93	145.6 Å²	145.6	65%	0.65	76%	0.756	S	S	*	*			cis	-155.2	160.7	29.3	-49.5	0	0	0	0	114.4
19	N	31	Very low	31.9	Very low	170 Å²	170	143.9 Å²	143.9	91%	0.909	75%	0.754	S	S	*	*			trans	63.7	150.7	163.2	-57.7	-3.9	0	0	0	117.7
20	G	28.7	Very low	32.3	Very low	61 Å²	61	142.8 Å²	142.8	63%	0.629	74%	0.744	S	S	*	*			cis	168.4	113.3	-9.7	0	0	0	0	0	113.4
21	T	30.9	Very low	32.3	Very low	138 Å²	138	145.2 Å²	145.2	85%	0.847	75%	0.748	S	S	*	*	S	Bend	trans	63.3	149.1	177.9	52.9	0	0	0	0	117.6
22	N	31.6	Very low	32.5	Very low	156 Å²	156	140.3 Å²	140.3	83%	0.834	74%	0.743	S	S	*	*			trans	63.1	62	177	-55.5	-3.9	0	0	0	115.7	E24	N22-E24 PolarHBondContact O-N 3.15Å; N22-E24 VanDerWaalsContact O-N 3.14Å
23	S	33.6	Very low	32.8	Very low	111 Å²	111	141.8 Å²	141.8	78%	0.776	74%	0.744	S	S	*	*			trans	-81.8	83.6	179.7	-173.2	0	0	0	0	113.1
24	E	32.9	Very low	33.3	Very low	161 Å²	161	141.2 Å²	141.2	75%	0.752	74%	0.739	S	S	*	*			trans	-67.2	158	159.5	-59.9	-179.5	146.3	0	0	110.9	N22	N22-E24 PolarHBondContact O-N 3.15Å; N22-E24 VanDerWaalsContact O-N 3.14Å
25	N	33.3	Very low	33.8	Very low	141 Å²	141	141.8 Å²	141.8	75%	0.754	73%	0.731	S	S	*	*			trans	59	97.5	165.9	-53.9	-54.9	0	0	0	118.1
26	H	35.2	Very low	34.8	Very low	185 Å²	185	138.2 Å²	138.2	86%	0.856	71%	0.714	S	S	*	*			trans	-139	101.1	154.4	-108	-77.7	0	0	0	110.6
27	Q	35	Very low	35.9	Very low	190 Å²	190	134.4 Å²	134.4	89%	0.888	71%	0.706	S	S	*	*			trans	-82.6	139	176.2	-69.4	170.7	-35.8	0	0	110.6	S29	Q27-S29 PolarHBondContact O-N 3.01Å
28	S	37.3	Very low	37.3	Very low	89 Å²	89	127.5 Å²	127.5	62%	0.622	68%	0.676	S	S	*	*			trans	-75.3	113.9	172.8	51.9	0	0	0	0	110.8	F30	S28-F30 WeakPolarHBondContact O-CD2 2.88Å; S28-F30 PolarHBondContact O-N 3.1Å; S28-F30 VanDerWaalsContact O-N 3.16Å; S28-F30 WeakPolarHBondContact OG-CE2 3.26Å
29	S	32.4	Very low	38.8	Very low	95 Å²	95	126 Å²	126	66%	0.664	67%	0.665	S	S	*	*			trans	-79.1	94.8	178.5	59.1	0	0	0	0	111.7	Q27	Q27-S29 PolarHBondContact O-N 3.01Å
30	F	37.1	Very low	40.9	Very low	96 Å²	96	120.1 Å²	120.1	42%	0.421	63%	0.632	S	S	.	*			trans	-66	138.5	167.6	-63.1	-87.3	0	0	0	110.6	S28 E368 I370	S28-F30 WeakPolarHBondContact O-CD2 2.88Å; S28-F30 PolarHBondContact O-N 3.1Å; S28-F30 VanDerWaalsContact O-N 3.16Å; S28-F30 WeakPolarHBondContact OG-CE2 3.26Å; F30-E368 WeakPolarHBondContact CB-OE1 3.48Å; F30-E368 HydrophobicContact CD1-CB 4.07Å; F30-E368 HydrophobicContact CD1-CG 3.96Å; F30-E368 VanDerWaalsContact CD1-OE2 3.31Å; F30-E368 WeakPolarHBondContact CD1-OE2 3.32Å; F30-E368 HydrophobicContact CE1-CB 4.34Å; F30-I370 HydrophobicContact CE1-CG1 4.49Å; F30-I370 HydrophobicContact CZ-CG1 4.29Å
31	F	30.9	Very low	43	Very low	191 Å²	191	118.4 Å²	118.4	84%	0.838	61%	0.609	S	S	*	*			trans	-114	79.7	-178	-94.2	-86	0	0	0	110.6	R33	F31-R33 PolarHBondContact O-N 2.76Å
32	C	29.6	Very low	45.1	Very low	104 Å²	104	115.4 Å²	115.4	70%	0.703	58%	0.584	S	S	*	*			trans	-61.4	119.9	178.5	-37.2	0	0	0	0	110.7	E368	C32-E368 PolarHBondContact SG-OE1 3.26Å
33	R	38.1	Very low	46.8	Very low	214 Å²	214	109 Å²	109	81%	0.808	55%	0.55	S	S	*	.			trans	-99.1	112.3	176.3	-179	-178.6	175.2	-176.6	-0.3	111.3	F31 R35	F31-R33 PolarHBondContact O-N 2.76Å; R33-R35 PolarHBondContact O-N 2.84Å
34	S	39.8	Very low	48.4	Very low	76 Å²	76	108 Å²	108	53%	0.531	53%	0.532	S	S	.	.			trans	-57.5	123.9	168.4	-50.4	0	0	0	0	111.3	Y36	S34-Y36 WeakPolarHBondContact CB-OH 3.41Å
35	R	41.5	Very low	49.6	Very low	148 Å²	148	100.8 Å²	100.8	56%	0.558	50%	0.501	S	S	*	.			trans	-121.5	148.9	166.1	177.9	-170.9	174.5	-166.2	5.1	105	R33 P364 A365	R33-R35 PolarHBondContact O-N 2.84Å; R35-P364 WeakPolarHBondContact CB-O 3.43Å; R35-P364 WeakPolarHBondContact CD-O 3.45Å; R35-P364 WeakPolarHBondContact CG-O 3.32Å; R35-A365 HydrophobicContact CB-CB 3.61Å; R35-A365 VanDerWaalsContact O-CB 3.29Å; R35-A365 WeakPolarHBondContact O-CB 3.4Å
36	Y	53.4	Low	51	Low	73 Å²	73	98.6 Å²	98.6	29%	0.286	48%	0.482	S	S	.	.			trans	-118.6	144.1	-168.3	-59	-78.7	0	0	0	110.2	S34 E38 G101 L102 V104	S34-Y36 WeakPolarHBondContact CB-OH 3.41Å; Y36-E38 PolarHBondContact O-N 3.4Å; Y36-G101 WeakPolarHBondContact CB-O 3.46Å; Y36-L102 VanDerWaalsContact CE2-C 3.47Å; Y36-L102 WeakPolarHBondContact CE2-O 3.31Å; Y36-V104 HydrophobicContact CE1-CG2 3.78Å
37	Q	57.1	Low	52.1	Low	131 Å²	131	92.6 Å²	92.6	61%	0.612	45%	0.454	S	S	*	.			trans	-61.9	132.9	172.2	-71	171	-14.8	0	0	109.5	G101 M363	Q37-G101 PolarHBondContact O-N 2.82Å; Q37-M363 WeakPolarHBondContact CA-O 3.05Å
38	E	61.5	Low	53.3	Low	55 Å²	55	88 Å²	88	26%	0.257	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	-179.1	158.5	-36.7	-168.3	128.9	0	0	108.1	Y36 Y90 V99 Q100 V362	Y36-E38 PolarHBondContact O-N 3.4Å; E38-Y90 HydrophobicContact CB-CE1 4.44Å; E38-Y90 PolarHBondContact OE2-OH 3.34Å; E38-V99 CarbonylContact C-O 3.59Å; E38-V99 VanDerWaalsContact C-O 3.25Å; E38-V99 WeakPolarHBondContact CA-O 3.39Å; E38-V99 WeakPolarHBondContact CB-O 3.3Å; E38-Q100 HydrophobicContact CG-CB 4.37Å; E38-Q100 HydrophobicContact CG-CG 4.31Å; E38-Q100 WeakPolarHBondContact OE1-CG 3.31Å; E38-Q100 PolarHBondContact OE1-NE2 2.79Å; E38-V362 VanDerWaalsContact C-CG1 3.41Å; E38-V362 HydrophobicContact CB-CG1 3.75Å; E38-V362 HydrophobicContact CG-CG1 4.4Å; E38-V362 WeakPolarHBondContact O-CB 3.37Å; E38-V362 WeakPolarHBondContact O-CG1 3.49Å
39	S	63.8	Low	54.3	Low	60 Å²	60	87 Å²	87	42%	0.42	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	133.8	173.5	-84.8	0	0	0	0	111.6	I41 Y98 V99	S39-I41 PolarHBondContact O-N 3.36Å; S39-Y98 CarbonylContact O-C 3.58Å; S39-Y98 VanDerWaalsContact O-CA 3.26Å; S39-Y98 WeakPolarHBondContact O-CA 3.35Å; S39-V99 PolarHBondContact N-O 3.15Å; S39-V99 PolarHBondContact O-N 2.95Å
40	Q	75.7	Confident	55.8	Low	48 Å²	48	85 Å²	85	22%	0.224	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	128.7	173.4	-166.1	-177.2	13.3	0	0	110.9	K42 N96 Y98	Q40-K42 VanDerWaalsContact NE2-CE 3.25Å; Q40-N96 PolarHBondContact NE2-OD1 2.63Å; Q40-Y98 HydrophobicContact CB-CD1 3.94Å; Q40-Y98 HydrophobicContact CB-CE1 3.74Å; Q40-Y98 HydrophobicContact CG-CD1 4.31Å; Q40-Y98 HydrophobicContact CG-CE1 3.97Å
41	I	71.7	Confident	57.2	Low	25 Å²	25	83.6 Å²	83.6	13%	0.128	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	135.6	167.7	-59.6	165	0	0	0	109	S39 V43 L79 L89 V97 V99 I109	S39-I41 PolarHBondContact O-N 3.36Å; I41-V43 HydrophobicContact CG2-CG2 3.74Å; I41-L79 HydrophobicContact CD1-CD1 4.36Å; I41-L79 HydrophobicContact CG2-CD1 4.26Å; I41-L89 HydrophobicContact CD1-CD2 3.62Å; I41-V97 HydrophobicContact CB-CB 4.43Å; I41-V97 HydrophobicContact CD1-CG1 4.13Å; I41-V97 PolarHBondContact N-O 2.77Å; I41-V99 HydrophobicContact CD1-CG2 3.57Å; I41-V99 HydrophobicContact CG1-CG2 3.77Å; I41-I109 HydrophobicContact CD1-CD1 4.12Å; I41-I109 HydrophobicContact CD1-CG2 4.37Å
42	K	75.2	Confident	59.2	Low	74 Å²	74	79.5 Å²	79.5	32%	0.322	39%	0.389	S	S	.	.			trans	-125	125.7	160.7	-68.9	170.2	-174.4	160.3	0	108.9	Q40 F44 T72 D360	Q40-K42 VanDerWaalsContact NE2-CE 3.25Å; K42-F44 HydrophobicContact CB-CD2 4.39Å; K42-F44 HydrophobicContact CB-CE2 3.58Å; K42-F44 HydrophobicContact CB-CZ 3.83Å; K42-F44 HydrophobicContact CD-CZ 4.42Å; K42-T72 WeakPolarHBondContact CA-OG1 3.36Å; K42-D360 IonicContact NZ-OD1 2.6Å; K42-D360 IonicContact NZ-OD2 3.2Å; K42-D360 PolarHBondContact NZ-OD2 2.95Å
43	V	67.6	Low	61	Low	21 Å²	21	83.4 Å²	83.4	13%	0.127	40%	0.397	C	S	.	.			trans	-103.6	110	-176.7	-176.4	0	0	0	0	108.9	I41 L71 T72 T75 L79 V111	I41-V43 HydrophobicContact CG2-CG2 3.74Å; V43-L71 CarbonylContact O-C 3.59Å; V43-L71 WeakPolarHBondContact O-CA 3.32Å; V43-L71 PolarHBondContact O-N 2.85Å; V43-T72 PolarHBondContact N-OG1 3.37Å; V43-T72 PolarHBondContact O-N 2.92Å; V43-T75 WeakPolarHBondContact CB-OG1 3.43Å; V43-T75 HydrophobicContact CG1-CG2 4.11Å; V43-T75 WeakPolarHBondContact CG2-OG1 3.47Å; V43-L79 HydrophobicContact CG2-CD1 4.04Å; V43-L79 HydrophobicContact CG2-CD2 4.17Å; V43-V111 HydrophobicContact CG1-CG2 4.49Å
44	F	68.2	Low	62.6	Low	91 Å²	91	76.9 Å²	76.9	40%	0.399	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	129.7	179.5	-64.1	-75.6	0	0	0	111.9	K42 L68 F69 D70	K42-F44 HydrophobicContact CB-CD2 4.39Å; K42-F44 HydrophobicContact CB-CE2 3.58Å; K42-F44 HydrophobicContact CB-CZ 3.83Å; K42-F44 HydrophobicContact CD-CZ 4.42Å; F44-L68 HydrophobicContact CB-CB 4.16Å; F44-L68 HydrophobicContact CB-CD2 4.16Å; F44-L68 HydrophobicContact CD1-CB 4.43Å; F44-F69 CarbonylContact C-O 3.43Å; F44-F69 WeakPolarHBondContact CA-O 3.26Å; F44-D70 HydrophobicContact CD1-CB 4.25Å; F44-D70 HydrophobicContact CE1-CB 3.95Å
45	G	57.9	Low	64.1	Low	9 Å²	9	76 Å²	76	9%	0.093	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	147.2	175.4	0	0	0	0	0	112.7	F69	G45-F69 PolarHBondContact N-O 3.26Å; G45-F69 PolarHBondContact O-N 2.76Å
46	R	62.5	Low	65	Low	95 Å²	95	76.3 Å²	76.3	36%	0.358	39%	0.389	S	S	.	.			trans	-112.5	134	164.4	66	-177.2	-179	-176	-4.2	108.7	L68	R46-L68 HydrophobicContact CB-CD2 4.4Å
47	F	58.5	Low	65.6	Low	60 Å²	60	78.1 Å²	78.1	26%	0.263	40%	0.399	S	S	.	.			trans	-99.4	129.8	176.1	-60	-79.5	0	0	0	110.2	Y59 L60 F69 L71 F116	F47-Y59 WeakPolarHBondContact O-CA 3.5Å; F47-L60 HydrophobicContact CB-CB 4.08Å; F47-L60 HydrophobicContact CB-CD1 3.79Å; F47-L60 HydrophobicContact CB-CG 4.09Å; F47-L60 HydrophobicContact CG-CD1 4.43Å; F47-L60 PolarHBondContact O-N 2.73Å; F47-F69 AromaticContact CD2-CD2 3.59Å; F47-F69 HydrophobicContact CD2-CD2 3.59Å; F47-F69 AromaticContact CD2-CE2 3.88Å; F47-F69 HydrophobicContact CD2-CE2 3.88Å; F47-F69 HydrophobicContact CD2-CG 4.19Å; F47-F69 HydrophobicContact CE2-CB 4.05Å; F47-F69 AromaticContact CE2-CD2 3.78Å; F47-F69 HydrophobicContact CE2-CD2 3.78Å; F47-F69 HydrophobicContact CE2-CE2 4.43Å; F47-F69 AromaticContact CE2-CG 3.92Å; F47-F69 HydrophobicContact CE2-CG 3.92Å; F47-L71 HydrophobicContact CE2-CD2 4.13Å; F47-L71 HydrophobicContact CZ-CD1 4.1Å; F47-L71 HydrophobicContact CZ-CD2 3.82Å; F47-F116 HydrophobicContact CE1-CE1 4.26Å; F47-F116 AromaticContact CE1-CE2 3.74Å; F47-F116 HydrophobicContact CE1-CE2 3.74Å; F47-F116 AromaticContact CE1-CZ 3.53Å; F47-F116 HydrophobicContact CE1-CZ 3.53Å; F47-F116 HydrophobicContact CZ-CE2 4.33Å; F47-F116 AromaticContact CZ-CZ 3.77Å; F47-F116 HydrophobicContact CZ-CZ 3.77Å
48	R	60.7	Low	65.4	Low	94 Å²	94	73.2 Å²	73.2	36%	0.355	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	131.2	175.3	-166	-178.9	70.4	-169.1	3.1	108.5	D50 H57 A58 Y59	R48-D50 WeakPolarHBondContact CD-OD1 3.45Å; R48-D50 WeakPolarHBondContact CG-OD1 3.39Å; R48-D50 IonicContact CZ-OD1 3.19Å; R48-D50 IonicContact CZ-OD2 2.76Å; R48-D50 IonicContact NE-OD1 2.86Å; R48-D50 PolarHBondContact NE-OD1 2.93Å; R48-D50 IonicContact NE-OD2 3.85Å; R48-D50 PolarHBondContact NE-OD2 3.09Å; R48-D50 IonicContact NH2-OD1 2.69Å; R48-D50 IonicContact NH2-OD2 3.97Å; R48-D50 PolarHBondContact NH2-OD2 2.91Å; R48-H57 HydrophobicContact CG-CB 4.39Å; R48-A58 CarbonylContact C-O 3.55Å; R48-A58 WeakPolarHBondContact CA-O 3.31Å; R48-Y59 HydrophobicContact CB-CD1 4.03Å; R48-Y59 HydrophobicContact CB-CE1 3.88Å; R48-Y59 HydrophobicContact CG-CD1 4.17Å; R48-Y59 HydrophobicContact CG-CE1 3.86Å
49	V	57.5	Low	65.3	Low	67 Å²	67	73 Å²	73	41%	0.406	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	118.3	170.8	179.8	0	0	0	0	106.8	H57 A58 L60	V49-H57 CarbonylContact O-C 3.58Å; V49-H57 VanDerWaalsContact O-CA 3.27Å; V49-H57 WeakPolarHBondContact O-CA 3.36Å; V49-A58 PolarHBondContact N-O 2.64Å; V49-A58 PolarHBondContact O-N 3.38Å; V49-L60 HydrophobicContact CG2-CD1 4.49Å; V49-L60 HydrophobicContact CG2-CD2 3.86Å; V49-L60 HydrophobicContact CG2-CG 4.05Å
50	D	63	Low	64.4	Low	52 Å²	52	74.8 Å²	74.8	28%	0.278	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	130.3	179.2	-62.5	-47.1	0	0	0	110.1	R48 P52 H57	R48-D50 WeakPolarHBondContact CD-OD1 3.45Å; R48-D50 WeakPolarHBondContact CG-OD1 3.39Å; R48-D50 IonicContact CZ-OD1 3.19Å; R48-D50 IonicContact CZ-OD2 2.76Å; R48-D50 IonicContact NE-OD1 2.86Å; R48-D50 PolarHBondContact NE-OD1 2.93Å; R48-D50 IonicContact NE-OD2 3.85Å; R48-D50 PolarHBondContact NE-OD2 3.09Å; R48-D50 IonicContact NH2-OD1 2.69Å; R48-D50 IonicContact NH2-OD2 3.97Å; R48-D50 PolarHBondContact NH2-OD2 2.91Å; D50-P52 WeakPolarHBondContact O-CD 3.32Å; D50-H57 WeakPolarHBondContact OD1-CB 3.39Å
51	N	68.1	Low	63.4	Low	67 Å²	67	73.8 Å²	73.8	36%	0.358	39%	0.385	S	S	.	.			trans	-98.2	105.1	170	179.8	-17.3	0	0	0	109.3	Q53 S54 G55 W56	N51-Q53 PolarHBondContact O-N 3.45Å; N51-Q53 PolarHBondContact OD1-N 2.77Å; N51-S54 WeakPolarHBondContact CB-OG 3.14Å; N51-S54 PolarHBondContact ND2-OG 3.45Å; N51-S54 PolarHBondContact O-N 3.43Å; N51-S54 PolarHBondContact OD1-N 2.73Å; N51-G55 PolarHBondContact O-N 2.9Å; N51-W56 HydrophobicContact CB-CB 4.45Å; N51-W56 PolarHBondContact N-O 3.42Å
52	P	72.3	Confident	62.1	Low	105 Å²	105	78.2 Å²	78.2	68%	0.682	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-15.9	-174.8	28.5	-35.8	0	0	0	113.9	D50	D50-P52 WeakPolarHBondContact O-CD 3.32Å
53	Q	67.6	Low	60.9	Low	187 Å²	187	86.4 Å²	86.4	87%	0.874	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-23.1	179.7	-64.9	-179.2	-11.6	0	0	113.4	N51	N51-Q53 PolarHBondContact O-N 3.45Å; N51-Q53 PolarHBondContact OD1-N 2.77Å
54	S	71.3	Confident	59.8	Low	76 Å²	76	88 Å²	88	53%	0.531	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-8.9	-178.7	60.8	0	0	0	0	114.5	N51 W56	N51-S54 WeakPolarHBondContact CB-OG 3.14Å; N51-S54 PolarHBondContact ND2-OG 3.45Å; N51-S54 PolarHBondContact O-N 3.43Å; N51-S54 PolarHBondContact OD1-N 2.73Å; S54-W56 PolarHBondContact O-N 3.01Å; S54-W56 VanDerWaalsContact O-N 3.11Å; S54-W56 WeakPolarHBondContact OG-CB 3.42Å; S54-W56 PolarHBondContact OG-N 2.92Å
55	G	72.3	Confident	58.7	Low	59 Å²	59	92.4 Å²	92.4	61%	0.608	48%	0.477	S	S	*	.			trans	68.8	-0.7	-172.4	0	0	0	0	0	114.1	N51 H57	N51-G55 PolarHBondContact O-N 2.9Å; G55-H57 PolarHBondContact O-ND1 2.81Å
56	W	60.1	Low	58.7	Low	154 Å²	154	97.5 Å²	97.5	58%	0.583	50%	0.498	S	S	*	.			trans	-67.1	135	176.6	-176.8	90.6	0	0	0	110.3	N51 S54 A58	N51-W56 HydrophobicContact CB-CB 4.45Å; N51-W56 PolarHBondContact N-O 3.42Å; S54-W56 PolarHBondContact O-N 3.01Å; S54-W56 VanDerWaalsContact O-N 3.11Å; S54-W56 WeakPolarHBondContact OG-CB 3.42Å; S54-W56 PolarHBondContact OG-N 2.92Å; W56-A58 HydrophobicContact CE3-CB 4.47Å; W56-A58 HydrophobicContact CH2-CB 3.31Å; W56-A58 HydrophobicContact CZ2-CB 3.67Å; W56-A58 HydrophobicContact CZ3-CB 3.74Å
57	H	65.5	Low	58.3	Low	110 Å²	110	95.3 Å²	95.3	51%	0.509	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	141.5	179	55.6	-87.9	0	0	0	110.1	R48 V49 D50 G55	R48-H57 HydrophobicContact CG-CB 4.39Å; V49-H57 CarbonylContact O-C 3.58Å; V49-H57 VanDerWaalsContact O-CA 3.27Å; V49-H57 WeakPolarHBondContact O-CA 3.36Å; D50-H57 WeakPolarHBondContact OD1-CB 3.39Å; G55-H57 PolarHBondContact O-ND1 2.81Å
58	A	53.7	Low	58.4	Low	28 Å²	28	97.8 Å²	97.8	23%	0.231	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	145.9	175.8	0	0	0	0	0	111.4	R48 V49 W56	R48-A58 CarbonylContact C-O 3.55Å; R48-A58 WeakPolarHBondContact CA-O 3.31Å; V49-A58 PolarHBondContact N-O 2.64Å; V49-A58 PolarHBondContact O-N 3.38Å; W56-A58 HydrophobicContact CE3-CB 4.47Å; W56-A58 HydrophobicContact CH2-CB 3.31Å; W56-A58 HydrophobicContact CZ2-CB 3.67Å; W56-A58 HydrophobicContact CZ3-CB 3.74Å
59	Y	58.5	Low	58.2	Low	52 Å²	52	97 Å²	97	20%	0.204	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	137.2	172.2	-64.6	-81.6	0	0	0	110	F47 R48 G61 Q66	F47-Y59 WeakPolarHBondContact O-CA 3.5Å; R48-Y59 HydrophobicContact CB-CD1 4.03Å; R48-Y59 HydrophobicContact CB-CE1 3.88Å; R48-Y59 HydrophobicContact CG-CD1 4.17Å; R48-Y59 HydrophobicContact CG-CE1 3.86Å; Y59-G61 PolarHBondContact O-N 3.26Å; Y59-Q66 HydrophobicContact CD1-CG 4.35Å; Y59-Q66 HydrophobicContact CD2-CG 3.88Å; Y59-Q66 HydrophobicContact CE2-CG 4.16Å; Y59-Q66 HydrophobicContact CG-CG 3.99Å
60	L	44.6	Very low	58.7	Low	97 Å²	97	98.2 Å²	98.2	51%	0.508	51%	0.514	S	S	.	.	S	Bend	trans	-70.6	100.3	172.6	-65.1	179.9	0	0	0	108.8	F47 V49 F69	F47-L60 HydrophobicContact CB-CB 4.08Å; F47-L60 HydrophobicContact CB-CD1 3.79Å; F47-L60 HydrophobicContact CB-CG 4.09Å; F47-L60 HydrophobicContact CG-CD1 4.43Å; F47-L60 PolarHBondContact O-N 2.73Å; V49-L60 HydrophobicContact CG2-CD1 4.49Å; V49-L60 HydrophobicContact CG2-CD2 3.86Å; V49-L60 HydrophobicContact CG2-CG 4.05Å; L60-F69 VanDerWaalsContact O-CE2 3.26Å; L60-F69 WeakPolarHBondContact O-CE2 3.35Å; L60-F69 WeakPolarHBondContact O-CZ 3.19Å
61	G	54.3	Low	58.9	Low	26 Å²	26	96.8 Å²	96.8	27%	0.268	51%	0.506	S	S	.	.	S	Bend	trans	-171	149.4	-178.9	0	0	0	0	0	111.1	Y59 R63 G64	Y59-G61 PolarHBondContact O-N 3.26Å; G61-R63 PolarHBondContact O-N 2.85Å; G61-G64 PolarHBondContact O-N 2.69Å
62	T	45.8	Very low	59.1	Low	119 Å²	119	94 Å²	94	73%	0.73	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-61.7	124.3	179.8	46.9	0	0	0	0	110.1	G64	T62-G64 VanDerWaalsContact C-N 3.3Å; T62-G64 PolarHBondContact O-N 2.7Å
63	R	49.2	Very low	59.3	Low	246 Å²	246	93.9 Å²	93.9	93%	0.928	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	58.6	32.8	-174.6	-54.4	176.8	176.4	157.2	-1.7	114.4	G61 R65	G61-R63 PolarHBondContact O-N 2.85Å; R63-R65 PolarHBondContact O-N 3.41Å
64	G	44.9	Very low	59.5	Low	53 Å²	53	89 Å²	89	55%	0.546	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	70.9	12.9	173.9	0	0	0	0	0	115	G61 T62	G61-G64 PolarHBondContact O-N 2.69Å; T62-G64 VanDerWaalsContact C-N 3.3Å; T62-G64 PolarHBondContact O-N 2.7Å
65	R	45.2	Very low	59.6	Low	185 Å²	185	85.7 Å²	85.7	70%	0.698	44%	0.442	S	S	*	.			trans	-67.5	144.4	172.4	-70.1	-178.8	168.8	-173	-5.7	110.2	R63 V67	R63-R65 PolarHBondContact O-N 3.41Å; R65-V67 VanDerWaalsContact C-N 3.29Å; R65-V67 PolarHBondContact O-N 2.99Å
66	Q	58	Low	59.8	Low	116 Å²	116	85.1 Å²	85.1	54%	0.542	42%	0.422	S	S	.	.			trans	-71.3	86.6	170.5	-63.3	-175	33.1	0	0	109	Y59	Y59-Q66 HydrophobicContact CD1-CG 4.35Å; Y59-Q66 HydrophobicContact CD2-CG 3.88Å; Y59-Q66 HydrophobicContact CE2-CG 4.16Å; Y59-Q66 HydrophobicContact CG-CG 3.99Å
67	V	53.8	Low	60.8	Low	49 Å²	49	85.3 Å²	85.3	30%	0.297	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-78.7	126.3	175.3	177.7	0	0	0	0	108.7	R65 F69	R65-V67 VanDerWaalsContact C-N 3.29Å; R65-V67 PolarHBondContact O-N 2.99Å; V67-F69 HydrophobicContact CB-CD2 4.48Å; V67-F69 HydrophobicContact CB-CE2 3.82Å; V67-F69 HydrophobicContact CB-CZ 4.08Å; V67-F69 HydrophobicContact CG1-CD2 4.11Å; V67-F69 HydrophobicContact CG1-CE1 4.17Å; V67-F69 HydrophobicContact CG1-CE2 3.73Å; V67-F69 HydrophobicContact CG1-CG 4.48Å; V67-F69 HydrophobicContact CG1-CZ 3.76Å; V67-F69 WeakPolarHBondContact O-CD2 3.32Å
68	L	59.9	Low	61.4	Low	111 Å²	111	82.6 Å²	82.6	58%	0.581	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-85.7	119.8	166.9	-71.5	174.5	0	0	0	108.4	F44 R46	F44-L68 HydrophobicContact CB-CB 4.16Å; F44-L68 HydrophobicContact CB-CD2 4.16Å; F44-L68 HydrophobicContact CD1-CB 4.43Å; R46-L68 HydrophobicContact CB-CD2 4.4Å
69	F	56.7	Low	62.4	Low	79 Å²	79	81.8 Å²	81.8	35%	0.346	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	136.4	173.8	-62.8	-95.7	0	0	0	108.7	F44 G45 F47 L60 V67 L71	F44-F69 CarbonylContact C-O 3.43Å; F44-F69 WeakPolarHBondContact CA-O 3.26Å; G45-F69 PolarHBondContact N-O 3.26Å; G45-F69 PolarHBondContact O-N 2.76Å; F47-F69 AromaticContact CD2-CD2 3.59Å; F47-F69 HydrophobicContact CD2-CD2 3.59Å; F47-F69 AromaticContact CD2-CE2 3.88Å; F47-F69 HydrophobicContact CD2-CE2 3.88Å; F47-F69 HydrophobicContact CD2-CG 4.19Å; F47-F69 HydrophobicContact CE2-CB 4.05Å; F47-F69 AromaticContact CE2-CD2 3.78Å; F47-F69 HydrophobicContact CE2-CD2 3.78Å; F47-F69 HydrophobicContact CE2-CE2 4.43Å; F47-F69 AromaticContact CE2-CG 3.92Å; F47-F69 HydrophobicContact CE2-CG 3.92Å; L60-F69 VanDerWaalsContact O-CE2 3.26Å; L60-F69 WeakPolarHBondContact O-CE2 3.35Å; L60-F69 WeakPolarHBondContact O-CZ 3.19Å; V67-F69 HydrophobicContact CB-CD2 4.48Å; V67-F69 HydrophobicContact CB-CE2 3.82Å; V67-F69 HydrophobicContact CB-CZ 4.08Å; V67-F69 HydrophobicContact CG1-CD2 4.11Å; V67-F69 HydrophobicContact CG1-CE1 4.17Å; V67-F69 HydrophobicContact CG1-CE2 3.73Å; V67-F69 HydrophobicContact CG1-CG 4.48Å; V67-F69 HydrophobicContact CG1-CZ 3.76Å; V67-F69 WeakPolarHBondContact O-CD2 3.32Å; F69-L71 HydrophobicContact CB-CD2 4.1Å; F69-L71 PolarHBondContact O-N 3.19Å
70	D	68.5	Low	63.4	Low	91 Å²	91	85 Å²	85	49%	0.487	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	116.4	170.3	-162.2	-31.2	0	0	0	108.9	F44 T72	F44-D70 HydrophobicContact CD1-CB 4.25Å; F44-D70 HydrophobicContact CE1-CB 3.95Å; D70-T72 WeakPolarHBondContact OD1-CB 3.44Å; D70-T72 PolarHBondContact OD1-N 2.89Å; D70-T72 PolarHBondContact OD1-OG1 2.91Å
71	L	67.4	Low	65.1	Low	22 Å²	22	81.8 Å²	81.8	12%	0.115	41%	0.407	C	S	.	.			trans	-111.5	13	176.8	-52.6	-173.5	0	0	0	111.3	V43 F47 F69 D73 L74 T75	V43-L71 CarbonylContact O-C 3.59Å; V43-L71 WeakPolarHBondContact O-CA 3.32Å; V43-L71 PolarHBondContact O-N 2.85Å; F47-L71 HydrophobicContact CE2-CD2 4.13Å; F47-L71 HydrophobicContact CZ-CD1 4.1Å; F47-L71 HydrophobicContact CZ-CD2 3.82Å; F69-L71 HydrophobicContact CB-CD2 4.1Å; F69-L71 PolarHBondContact O-N 3.19Å; L71-D73 VanDerWaalsContact C-N 3.31Å; L71-D73 PolarHBondContact O-N 2.75Å; L71-L74 HydrophobicContact CD2-CD1 4.09Å; L71-L74 PolarHBondContact O-N 3.11Å; L71-L74 VanDerWaalsContact O-N 3.1Å; L71-T75 HydrophobicContact CB-CG2 4.24Å; L71-T75 WeakPolarHBondContact O-CB 3.31Å; L71-T75 WeakPolarHBondContact O-CG2 3.29Å; L71-T75 PolarHBondContact O-N 2.91Å; L71-T75 PolarHBondContact O-OG1 3.19Å
72	T	72	Confident	66.2	Low	10 Å²	10	83.4 Å²	83.4	6%	0.061	42%	0.418	C	S	.	.	H	α-helix	trans	-57.5	-45	-177.6	-50.4	0	0	0	0	110.9	K42 V43 D70 L74 T75 K76 V97	K42-T72 WeakPolarHBondContact CA-OG1 3.36Å; V43-T72 PolarHBondContact N-OG1 3.37Å; V43-T72 PolarHBondContact O-N 2.92Å; D70-T72 WeakPolarHBondContact OD1-CB 3.44Å; D70-T72 PolarHBondContact OD1-N 2.89Å; D70-T72 PolarHBondContact OD1-OG1 2.91Å; T72-L74 PolarHBondContact O-N 3.4Å; T72-T75 PolarHBondContact O-N 3.02Å; T72-K76 WeakPolarHBondContact O-CB 3.44Å; T72-K76 PolarHBondContact O-N 3.41Å; T72-V97 HydrophobicContact CG2-CG2 3.95Å
73	D	76.5	Confident	67.7	Low	101 Å²	101	79.4 Å²	79.4	54%	0.54	39%	0.392	S	S	.	.	H	α-helix	trans	-63.3	-27	178.7	-102.7	-44.7	0	0	0	114.5	L71 K76	L71-D73 VanDerWaalsContact C-N 3.31Å; L71-D73 PolarHBondContact O-N 2.75Å; D73-K76 WeakPolarHBondContact O-CD 3.24Å; D73-K76 WeakPolarHBondContact O-CE 3.29Å; D73-K76 PolarHBondContact O-NZ 3.3Å; D73-K76 IonicContact OD1-NZ 3.74Å; D73-K76 PolarHBondContact OD1-NZ 3.21Å
74	L	71.2	Confident	69.3	Low	86 Å²	86	71.7 Å²	71.7	45%	0.45	38%	0.375	S	S	.	.	H	α-helix	trans	-87.4	-39.8	178.3	-65.2	173.9	0	0	0	111.3	L71 T72 H78 F114	L71-L74 HydrophobicContact CD2-CD1 4.09Å; L71-L74 PolarHBondContact O-N 3.11Å; L71-L74 VanDerWaalsContact O-N 3.1Å; T72-L74 PolarHBondContact O-N 3.4Å; L74-H78 PolarHBondContact O-ND1 3.49Å; L74-F114 HydrophobicContact CB-CE2 3.71Å; L74-F114 HydrophobicContact CB-CZ 3.75Å; L74-F114 HydrophobicContact CD1-CZ 4.37Å; L74-F114 HydrophobicContact CD2-CZ 4.38Å; L74-F114 HydrophobicContact CG-CZ 4.39Å; L74-F114 WeakPolarHBondContact O-CE2 3.38Å
75	T	73.4	Confident	70.7	Confident	6 Å²	6	77.8 Å²	77.8	4%	0.037	38%	0.382	C	S	.	.	H	α-helix	trans	-86.3	-12.9	-175.3	54.1	0	0	0	0	113.8	V43 L71 T72 E77 H78 L79 V111 F114	V43-T75 WeakPolarHBondContact CB-OG1 3.43Å; V43-T75 HydrophobicContact CG1-CG2 4.11Å; V43-T75 WeakPolarHBondContact CG2-OG1 3.47Å; L71-T75 HydrophobicContact CB-CG2 4.24Å; L71-T75 WeakPolarHBondContact O-CB 3.31Å; L71-T75 WeakPolarHBondContact O-CG2 3.29Å; L71-T75 PolarHBondContact O-N 2.91Å; L71-T75 PolarHBondContact O-OG1 3.19Å; T72-T75 PolarHBondContact O-N 3.02Å; T75-E77 VanDerWaalsContact C-N 3.34Å; T75-E77 PolarHBondContact O-N 2.65Å; T75-H78 CarbonylContact O-C 3.6Å; T75-H78 WeakPolarHBondContact O-CA 3.33Å; T75-H78 WeakPolarHBondContact O-CB 3.31Å; T75-H78 PolarHBondContact O-N 2.79Å; T75-L79 WeakPolarHBondContact O-CG 3.32Å; T75-L79 PolarHBondContact O-N 3.26Å; T75-V111 HydrophobicContact CG2-CG1 3.99Å; T75-F114 HydrophobicContact CG2-CD2 4.28Å; T75-F114 HydrophobicContact CG2-CG 4.44Å
76	K	77.2	Confident	71.9	Confident	47 Å²	47	69.9 Å²	69.9	20%	0.204	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-50.5	-46.5	-178.8	66.9	-166.5	174.3	-155.2	0	114.4	T72 D73 H78 L79 H91 V97	T72-K76 WeakPolarHBondContact O-CB 3.44Å; T72-K76 PolarHBondContact O-N 3.41Å; D73-K76 WeakPolarHBondContact O-CD 3.24Å; D73-K76 WeakPolarHBondContact O-CE 3.29Å; D73-K76 PolarHBondContact O-NZ 3.3Å; D73-K76 IonicContact OD1-NZ 3.74Å; D73-K76 PolarHBondContact OD1-NZ 3.21Å; K76-H78 PolarHBondContact O-N 2.83Å; K76-L79 PolarHBondContact O-N 3.46Å; K76-H91 PolarHBondContact O-CE1 2.94Å; K76-H91 VanDerWaalsContact O-CE1 3.23Å; K76-V97 HydrophobicContact CB-CG2 3.41Å; K76-V97 VanDerWaalsContact CB-CG2 3.41Å
77	E	80.6	Confident	72.8	Confident	158 Å²	158	64.6 Å²	64.6	74%	0.738	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-72.5	-14	178.6	-62.5	175.3	-169.1	0	0	113.3	T75	T75-E77 VanDerWaalsContact C-N 3.34Å; T75-E77 PolarHBondContact O-N 2.65Å
78	H	77.3	Confident	74.1	Confident	52 Å²	52	66 Å²	66	24%	0.241	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-104	-12.8	-176.7	-60.7	84.4	0	0	0	112.4	L74 T75 K76 V111 S112 Y113 F114	L74-H78 PolarHBondContact O-ND1 3.49Å; T75-H78 CarbonylContact O-C 3.6Å; T75-H78 WeakPolarHBondContact O-CA 3.33Å; T75-H78 WeakPolarHBondContact O-CB 3.31Å; T75-H78 PolarHBondContact O-N 2.79Å; K76-H78 PolarHBondContact O-N 2.83Å; H78-V111 HydrophobicContact CB-CG1 4.4Å; H78-S112 WeakPolarHBondContact CB-O 3.4Å; H78-S112 PolarHBondContact CD2-O 2.9Å; H78-S112 WeakPolarHBondContact O-CB 3.43Å; H78-S112 PolarHBondContact O-N 2.81Å; H78-Y113 PolarHBondContact CD2-O 3.4Å; H78-F114 AromaticContact CE1-CD2 3.74Å; H78-F114 AromaticContact CE1-CE2 3.91Å; H78-F114 AromaticContact CG-CD2 3.94Å; H78-F114 AromaticContact ND1-CD2 3.56Å; H78-F114 AromaticContact ND1-CE2 3.97Å
79	L	75.1	Confident	75.2	Confident	12 Å²	12	61.9 Å²	61.9	6%	0.063	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	130.7	175.2	-75.7	167.7	0	0	0	110.5	I41 V43 T75 K76 L89 V97 I109 V111	I41-L79 HydrophobicContact CD1-CD1 4.36Å; I41-L79 HydrophobicContact CG2-CD1 4.26Å; V43-L79 HydrophobicContact CG2-CD1 4.04Å; V43-L79 HydrophobicContact CG2-CD2 4.17Å; T75-L79 WeakPolarHBondContact O-CG 3.32Å; T75-L79 PolarHBondContact O-N 3.26Å; K76-L79 PolarHBondContact O-N 3.46Å; L79-L89 HydrophobicContact CB-CD1 3.74Å; L79-L89 WeakPolarHBondContact O-CD1 3.42Å; L79-V97 HydrophobicContact CD1-CB 4.35Å; L79-V97 HydrophobicContact CD1-CG1 3.94Å; L79-V97 HydrophobicContact CD1-CG2 4.24Å; L79-I109 HydrophobicContact CD2-CG2 3.65Å; L79-V111 HydrophobicContact CD2-CG2 3.71Å
80	K	80.1	Confident	76.5	Confident	119 Å²	119	61.6 Å²	61.6	52%	0.517	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	142.9	174.1	-59.3	-172.9	-173.7	177.6	0	110	I109 H110 S112	K80-I109 CarbonylContact O-C 3.54Å; K80-I109 WeakPolarHBondContact O-CA 3.02Å; K80-H110 PolarHBondContact N-O 2.68Å; K80-H110 PolarHBondContact O-N 2.79Å; K80-S112 WeakPolarHBondContact CD-OG 3.47Å
81	I	80.4	Confident	77.3	Confident	29 Å²	29	61.9 Å²	61.9	15%	0.149	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	141.4	169.2	-73.8	170.7	0	0	0	109.2	D83 A87 N88 L89 V99 T107 D108 I109	I81-D83 VanDerWaalsContact CG2-O 3.3Å; I81-D83 WeakPolarHBondContact CG2-O 3.28Å; I81-A87 HydrophobicContact CD1-CB 3.94Å; I81-N88 VanDerWaalsContact CD1-C 3.41Å; I81-L89 HydrophobicContact CD1-CD2 3.73Å; I81-L89 HydrophobicContact CD1-CG 3.62Å; I81-L89 HydrophobicContact CG1-CD1 4.26Å; I81-L89 HydrophobicContact CG1-CD2 4.02Å; I81-L89 HydrophobicContact CG1-CG 3.79Å; I81-V99 HydrophobicContact CD1-CG1 4.2Å; I81-T107 HydrophobicContact CG2-CG2 3.81Å; I81-T107 WeakPolarHBondContact CG2-OG1 3.35Å; I81-D108 CarbonylContact C-O 3.58Å; I81-D108 WeakPolarHBondContact CA-O 3.27Å; I81-I109 HydrophobicContact CG1-CG1 4.03Å
82	A	77.4	Confident	78	Confident	60 Å²	60	62.4 Å²	62.4	50%	0.496	32%	0.316	S	S	.	.	S	Bend	trans	-68.9	-44.9	-179.3	0	0	0	0	0	112.9	D108	A82-D108 HydrophobicContact CB-CB 4.06Å; A82-D108 WeakPolarHBondContact CB-O 3.41Å; A82-D108 PolarHBondContact N-O 3.06Å
83	D	76.9	Confident	78.2	Confident	35 Å²	35	68.7 Å²	68.7	19%	0.187	36%	0.357	C	S	.	.			trans	-122.1	103.6	175.9	-167.5	-19	0	0	0	111	I81 R85 V86 A87 T107	I81-D83 VanDerWaalsContact CG2-O 3.3Å; I81-D83 WeakPolarHBondContact CG2-O 3.28Å; D83-R85 PolarHBondContact O-N 2.87Å; D83-R85 WeakPolarHBondContact OD1-CB 3.49Å; D83-R85 VanDerWaalsContact OD1-CG 3.3Å; D83-R85 WeakPolarHBondContact OD1-CG 3.26Å; D83-R85 IonicContact OD1-CZ 3.45Å; D83-R85 PolarHBondContact OD1-N 3.04Å; D83-R85 IonicContact OD1-NE 2.76Å; D83-R85 PolarHBondContact OD1-NE 2.92Å; D83-R85 IonicContact OD1-NH2 3.61Å; D83-R85 IonicContact OD2-CZ 3.77Å; D83-R85 IonicContact OD2-NE 3.91Å; D83-R85 PolarHBondContact OD2-NE 2.9Å; D83-R85 IonicContact OD2-NH2 2.86Å; D83-R85 PolarHBondContact OD2-NH2 2.92Å; D83-V86 HydrophobicContact CB-CG2 4.16Å; D83-V86 PolarHBondContact O-N 2.91Å; D83-A87 PolarHBondContact O-N 3.43Å; D83-T107 WeakPolarHBondContact CA-OG1 3.24Å; D83-T107 WeakPolarHBondContact CB-OG1 3.37Å; D83-T107 PolarHBondContact N-OG1 2.79Å; D83-T107 PolarHBondContact O-OG1 2.77Å
84	S	83	Confident	78.2	Confident	84 Å²	84	68.7 Å²	68.7	59%	0.587	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-5.2	179.1	55.8	0	0	0	0	114.4	A87 L102	S84-A87 WeakPolarHBondContact CA-O 3.32Å; S84-L102 WeakPolarHBondContact O-CD1 3.16Å
85	R	74	Confident	78.4	Confident	182 Å²	182	65.4 Å²	65.4	69%	0.687	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-27.9	173	-52.4	169.8	-66.1	178.4	3.8	111.5	D83 S103	D83-R85 PolarHBondContact O-N 2.87Å; D83-R85 WeakPolarHBondContact OD1-CB 3.49Å; D83-R85 VanDerWaalsContact OD1-CG 3.3Å; D83-R85 WeakPolarHBondContact OD1-CG 3.26Å; D83-R85 IonicContact OD1-CZ 3.45Å; D83-R85 PolarHBondContact OD1-N 3.04Å; D83-R85 IonicContact OD1-NE 2.76Å; D83-R85 PolarHBondContact OD1-NE 2.92Å; D83-R85 IonicContact OD1-NH2 3.61Å; D83-R85 IonicContact OD2-CZ 3.77Å; D83-R85 IonicContact OD2-NE 3.91Å; D83-R85 PolarHBondContact OD2-NE 2.9Å; D83-R85 IonicContact OD2-NH2 2.86Å; D83-R85 PolarHBondContact OD2-NH2 2.92Å; R85-S103 WeakPolarHBondContact O-CB 3.48Å; R85-S103 PolarHBondContact O-N 2.8Å; R85-S103 PolarHBondContact O-OG 2.82Å
86	V	71	Confident	78.5	Confident	18 Å²	18	67.7 Å²	67.7	11%	0.109	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-43.7	-179.3	176.8	0	0	0	0	110.6	D83 L102 S103 T107	D83-V86 HydrophobicContact CB-CG2 4.16Å; D83-V86 PolarHBondContact O-N 2.91Å; V86-L102 PolarHBondContact O-N 3.17Å; V86-S103 WeakPolarHBondContact CA-OG 3.23Å; V86-S103 PolarHBondContact O-N 3.26Å; V86-S103 VanDerWaalsContact O-N 3.12Å; V86-T107 HydrophobicContact CB-CG2 3.93Å; V86-T107 HydrophobicContact CG1-CG2 3.66Å
87	A	75.5	Confident	78.4	Confident	6 Å²	6	65.5 Å²	65.5	5%	0.05	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	160.5	176	0	0	0	0	0	112.3	I81 D83 S84 V99 Q100 T107	I81-A87 HydrophobicContact CD1-CB 3.94Å; D83-A87 PolarHBondContact O-N 3.43Å; S84-A87 WeakPolarHBondContact CA-O 3.32Å; A87-V99 HydrophobicContact CB-CG1 3.66Å; A87-Q100 CarbonylContact C-O 3.38Å; A87-Q100 WeakPolarHBondContact CA-O 3.21Å; A87-Q100 VanDerWaalsContact CB-O 3.31Å; A87-Q100 WeakPolarHBondContact CB-O 3.16Å; A87-T107 HydrophobicContact CB-CG2 3.95Å
88	N	81.9	Confident	78.2	Confident	77 Å²	77	60.2 Å²	60.2	41%	0.412	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	159.4	175.7	-171.2	26.5	0	0	0	111	I81 V99 Q100 L102	I81-N88 VanDerWaalsContact CD1-C 3.41Å; N88-V99 CarbonylContact O-C 3.44Å; N88-V99 WeakPolarHBondContact O-CA 3.32Å; N88-Q100 PolarHBondContact N-O 2.86Å; N88-Q100 PolarHBondContact O-N 3.07Å; N88-L102 HydrophobicContact CB-CD1 3.84Å; N88-L102 HydrophobicContact CB-CG 4.4Å
89	L	83.2	Confident	78.2	Confident	25 Å²	25	58.8 Å²	58.8	13%	0.131	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	139.5	169.3	-66.8	175.6	0	0	0	109.7	I41 L79 I81 V97 Y98 V99	I41-L89 HydrophobicContact CD1-CD2 3.62Å; L79-L89 HydrophobicContact CB-CD1 3.74Å; L79-L89 WeakPolarHBondContact O-CD1 3.42Å; I81-L89 HydrophobicContact CD1-CD2 3.73Å; I81-L89 HydrophobicContact CD1-CG 3.62Å; I81-L89 HydrophobicContact CG1-CD1 4.26Å; I81-L89 HydrophobicContact CG1-CD2 4.02Å; I81-L89 HydrophobicContact CG1-CG 3.79Å; L89-V97 HydrophobicContact CD2-CG1 4.32Å; L89-Y98 WeakPolarHBondContact CA-O 3.3Å; L89-V99 HydrophobicContact CD2-CG2 4.12Å
90	Y	84.9	Confident	78	Confident	74 Å²	74	61.3 Å²	61.3	29%	0.29	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	148.9	163.8	70.8	-88.1	0	0	0	111.2	E38 Y98 Q100	E38-Y90 HydrophobicContact CB-CE1 4.44Å; E38-Y90 PolarHBondContact OE2-OH 3.34Å; Y90-Y98 HydrophobicContact CD2-CD2 4.18Å; Y90-Y98 HydrophobicContact CE1-CG 4.24Å; Y90-Y98 AromaticContact CE2-CD2 3.61Å; Y90-Y98 HydrophobicContact CE2-CD2 3.61Å; Y90-Y98 HydrophobicContact CE2-CE2 4.42Å; Y90-Y98 AromaticContact CE2-CG 3.8Å; Y90-Y98 HydrophobicContact CE2-CG 3.8Å; Y90-Y98 AromaticContact CZ-CD2 3.98Å; Y90-Y98 AromaticContact CZ-CG 3.65Å; Y90-Y98 PolarHBondContact N-O 3.47Å; Y90-Y98 PolarHBondContact O-N 2.82Å; Y90-Q100 HydrophobicContact CD1-CB 4.01Å; Y90-Q100 HydrophobicContact CE1-CB 4Å
91	H	85.1	Confident	77.7	Confident	97 Å²	97	56.4 Å²	56.4	45%	0.449	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	124.5	177.9	-52.3	-66.7	0	0	0	108.3	K76	K76-H91 PolarHBondContact O-CE1 2.94Å; K76-H91 VanDerWaalsContact O-CE1 3.23Å
92	S	80.8	Confident	76.9	Confident	33 Å²	33	58.9 Å²	58.9	23%	0.231	33%	0.326	C	S	.	.			trans	-71.5	148.9	171.9	-176.5	0	0	0	0	110.2	T94 G95 N96	S92-T94 WeakPolarHBondContact CB-OG1 3.28Å; S92-T94 PolarHBondContact O-N 3.48Å; S92-T94 PolarHBondContact OG-N 2.87Å; S92-T94 PolarHBondContact OG-OG1 3.37Å; S92-T94 VanDerWaalsContact OG-OG1 3.05Å; S92-G95 PolarHBondContact O-N 2.96Å; S92-N96 PolarHBondContact N-O 3.3Å
93	P	76.9	Confident	76	Confident	142 Å²	142	58.1 Å²	58.1	92%	0.922	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-16.3	167	-26.7	35.7	0	0	0	114.3	G95	P93-G95 VanDerWaalsContact C-N 3.33Å
94	T	76	Confident	75.4	Confident	100 Å²	100	61.9 Å²	61.9	61%	0.613	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-0.6	174.4	64	0	0	0	0	114.7	S92 N96	S92-T94 WeakPolarHBondContact CB-OG1 3.28Å; S92-T94 PolarHBondContact O-N 3.48Å; S92-T94 PolarHBondContact OG-N 2.87Å; S92-T94 PolarHBondContact OG-OG1 3.37Å; S92-T94 VanDerWaalsContact OG-OG1 3.05Å; T94-N96 VanDerWaalsContact C-N 3.33Å
95	G	75	Confident	74.2	Confident	17 Å²	17	59.9 Å²	59.9	18%	0.175	33%	0.334	C	S	.	.	S	Bend	trans	90.7	-18.2	-177.7	0	0	0	0	0	114.8	S92 P93	S92-G95 PolarHBondContact O-N 2.96Å; P93-G95 VanDerWaalsContact C-N 3.33Å
96	N	77.1	Confident	73.4	Confident	55 Å²	55	58.5 Å²	58.5	29%	0.294	33%	0.33	S	S	.	.			trans	-59.8	137.3	176.1	-70.3	-19.8	0	0	0	111.9	Q40 S92 T94 Y98	Q40-N96 PolarHBondContact NE2-OD1 2.63Å; S92-N96 PolarHBondContact N-O 3.3Å; T94-N96 VanDerWaalsContact C-N 3.33Å; N96-Y98 HydrophobicContact CB-CD2 4.23Å; N96-Y98 HydrophobicContact CB-CE2 3.39Å; N96-Y98 PolarHBondContact ND2-OH 2.96Å
97	V	73.8	Confident	73.3	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	136.8	173.1	-168.7	0	0	0	0	109.9	I41 T72 K76 L79 L89	I41-V97 HydrophobicContact CB-CB 4.43Å; I41-V97 HydrophobicContact CD1-CG1 4.13Å; I41-V97 PolarHBondContact N-O 2.77Å; T72-V97 HydrophobicContact CG2-CG2 3.95Å; K76-V97 HydrophobicContact CB-CG2 3.41Å; K76-V97 VanDerWaalsContact CB-CG2 3.41Å; L79-V97 HydrophobicContact CD1-CB 4.35Å; L79-V97 HydrophobicContact CD1-CG1 3.94Å; L79-V97 HydrophobicContact CD1-CG2 4.24Å; L89-V97 HydrophobicContact CD2-CG1 4.32Å
98	Y	76.1	Confident	73.2	Confident	48 Å²	48	64.3 Å²	64.3	19%	0.188	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	142.4	178.4	-62.7	-93.9	0	0	0	111.1	S39 Q40 L89 Y90 N96	S39-Y98 CarbonylContact O-C 3.58Å; S39-Y98 VanDerWaalsContact O-CA 3.26Å; S39-Y98 WeakPolarHBondContact O-CA 3.35Å; Q40-Y98 HydrophobicContact CB-CD1 3.94Å; Q40-Y98 HydrophobicContact CB-CE1 3.74Å; Q40-Y98 HydrophobicContact CG-CD1 4.31Å; Q40-Y98 HydrophobicContact CG-CE1 3.97Å; L89-Y98 WeakPolarHBondContact CA-O 3.3Å; Y90-Y98 HydrophobicContact CD2-CD2 4.18Å; Y90-Y98 HydrophobicContact CE1-CG 4.24Å; Y90-Y98 AromaticContact CE2-CD2 3.61Å; Y90-Y98 HydrophobicContact CE2-CD2 3.61Å; Y90-Y98 HydrophobicContact CE2-CE2 4.42Å; Y90-Y98 AromaticContact CE2-CG 3.8Å; Y90-Y98 HydrophobicContact CE2-CG 3.8Å; Y90-Y98 AromaticContact CZ-CD2 3.98Å; Y90-Y98 AromaticContact CZ-CG 3.65Å; Y90-Y98 PolarHBondContact N-O 3.47Å; Y90-Y98 PolarHBondContact O-N 2.82Å; N96-Y98 HydrophobicContact CB-CD2 4.23Å; N96-Y98 HydrophobicContact CB-CE2 3.39Å; N96-Y98 PolarHBondContact ND2-OH 2.96Å
99	V	78.7	Confident	72.7	Confident	22 Å²	22	64.3 Å²	64.3	13%	0.133	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	139.5	160.7	-174.2	0	0	0	0	107.8	E38 S39 I41 I81 A87 N88 L89 I109	E38-V99 CarbonylContact C-O 3.59Å; E38-V99 VanDerWaalsContact C-O 3.25Å; E38-V99 WeakPolarHBondContact CA-O 3.39Å; E38-V99 WeakPolarHBondContact CB-O 3.3Å; S39-V99 PolarHBondContact N-O 3.15Å; S39-V99 PolarHBondContact O-N 2.95Å; I41-V99 HydrophobicContact CD1-CG2 3.57Å; I41-V99 HydrophobicContact CG1-CG2 3.77Å; I81-V99 HydrophobicContact CD1-CG1 4.2Å; A87-V99 HydrophobicContact CB-CG1 3.66Å; N88-V99 CarbonylContact O-C 3.44Å; N88-V99 WeakPolarHBondContact O-CA 3.32Å; L89-V99 HydrophobicContact CD2-CG2 4.12Å; V99-I109 HydrophobicContact CG2-CD1 3.72Å
100	Q	70.7	Confident	72.3	Confident	65 Å²	65	67.4 Å²	67.4	30%	0.304	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	119.5	165.8	173.9	178.5	81.5	0	0	108.3	E38 A87 N88 Y90 L102	E38-Q100 HydrophobicContact CG-CB 4.37Å; E38-Q100 HydrophobicContact CG-CG 4.31Å; E38-Q100 WeakPolarHBondContact OE1-CG 3.31Å; E38-Q100 PolarHBondContact OE1-NE2 2.79Å; A87-Q100 CarbonylContact C-O 3.38Å; A87-Q100 WeakPolarHBondContact CA-O 3.21Å; A87-Q100 VanDerWaalsContact CB-O 3.31Å; A87-Q100 WeakPolarHBondContact CB-O 3.16Å; N88-Q100 PolarHBondContact N-O 2.86Å; N88-Q100 PolarHBondContact O-N 3.07Å; Y90-Q100 HydrophobicContact CD1-CB 4.01Å; Y90-Q100 HydrophobicContact CE1-CB 4Å; Q100-L102 HydrophobicContact CG-CD2 4.4Å
101	G	73.4	Confident	71.5	Confident	16 Å²	16	67.1 Å²	67.1	17%	0.165	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	143.8	172.2	0	0	0	0	0	112.1	Y36 Q37	Y36-G101 WeakPolarHBondContact CB-O 3.46Å; Q37-G101 PolarHBondContact O-N 2.82Å
102	L	62.7	Low	70.2	Confident	80 Å²	80	64 Å²	64	42%	0.419	37%	0.369	S	S	.	.			trans	-126.3	-30.2	-179.1	-67.3	-178.2	0	0	0	113.1	Y36 S84 V86 N88 Q100	Y36-L102 VanDerWaalsContact CE2-C 3.47Å; Y36-L102 WeakPolarHBondContact CE2-O 3.31Å; S84-L102 WeakPolarHBondContact O-CD1 3.16Å; V86-L102 PolarHBondContact O-N 3.17Å; N88-L102 HydrophobicContact CB-CD1 3.84Å; N88-L102 HydrophobicContact CB-CG 4.4Å; Q100-L102 HydrophobicContact CG-CD2 4.4Å
103	S	58.3	Low	68.8	Low	45 Å²	45	71 Å²	71	32%	0.315	39%	0.391	S	S	.	.	S	Bend	trans	-149.8	161.8	170.5	63	0	0	0	0	112	R85 V86 G105	R85-S103 WeakPolarHBondContact O-CB 3.48Å; R85-S103 PolarHBondContact O-N 2.8Å; R85-S103 PolarHBondContact O-OG 2.82Å; V86-S103 WeakPolarHBondContact CA-OG 3.23Å; V86-S103 PolarHBondContact O-N 3.26Å; V86-S103 VanDerWaalsContact O-N 3.12Å; S103-G105 PolarHBondContact O-N 2.76Å
104	V	65.8	Low	67.3	Low	114 Å²	114	67 Å²	67	69%	0.691	36%	0.359	S	S	*	.	S	Bend	trans	-65.4	117.3	173.3	-177.9	0	0	0	0	109.4	Y36	Y36-V104 HydrophobicContact CE1-CG2 3.78Å
105	G	56.8	Low	65.6	Low	42 Å²	42	70.3 Å²	70.3	43%	0.433	36%	0.362	S	S	.	.	S	Bend	trans	178.4	-175.3	177.3	0	0	0	0	0	113.1	S103	S103-G105 PolarHBondContact O-N 2.76Å
106	Y	58.6	Low	63.9	Low	153 Å²	153	75.5 Å²	75.5	60%	0.6	38%	0.38	S	S	*	.			trans	-110.9	140	171.1	-62.3	-80.4	0	0	0	109.3	S238	Y106-S238 WeakPolarHBondContact CE2-O 3.16Å; Y106-S238 PolarHBondContact OH-N 3.48Å; Y106-S238 VanDerWaalsContact OH-N 3.09Å; Y106-S238 PolarHBondContact OH-O 2.82Å; Y106-S238 VanDerWaalsContact OH-O 3.1Å
107	T	68.5	Low	61.4	Low	39 Å²	39	77.8 Å²	77.8	24%	0.239	40%	0.4	C	S	.	.			trans	-152.3	133.2	178.4	-164.6	0	0	0	0	110	I81 D83 V86 A87	I81-T107 HydrophobicContact CG2-CG2 3.81Å; I81-T107 WeakPolarHBondContact CG2-OG1 3.35Å; D83-T107 WeakPolarHBondContact CA-OG1 3.24Å; D83-T107 WeakPolarHBondContact CB-OG1 3.37Å; D83-T107 PolarHBondContact N-OG1 2.79Å; D83-T107 PolarHBondContact O-OG1 2.77Å; V86-T107 HydrophobicContact CB-CG2 3.93Å; V86-T107 HydrophobicContact CG1-CG2 3.66Å; A87-T107 HydrophobicContact CB-CG2 3.95Å
108	D	72.8	Confident	59	Low	106 Å²	106	86.9 Å²	86.9	57%	0.567	44%	0.44	S	S	*	.			trans	-84.2	149.7	179.6	-78.6	-20.5	0	0	0	110.8	I81 A82 H110	I81-D108 CarbonylContact C-O 3.58Å; I81-D108 WeakPolarHBondContact CA-O 3.27Å; A82-D108 HydrophobicContact CB-CB 4.06Å; A82-D108 WeakPolarHBondContact CB-O 3.41Å; A82-D108 PolarHBondContact N-O 3.06Å; D108-H110 VanDerWaalsContact CB-CE1 3.48Å; D108-H110 WeakPolarHBondContact CB-CE1 3.28Å; D108-H110 IonicContact OD2-CE1 3.12Å
109	I	71.9	Confident	56.6	Low	77 Å²	77	91 Å²	91	40%	0.395	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	116.1	171.6	-60.9	158.3	0	0	0	108	I41 L79 K80 I81 V99	I41-I109 HydrophobicContact CD1-CD1 4.12Å; I41-I109 HydrophobicContact CD1-CG2 4.37Å; L79-I109 HydrophobicContact CD2-CG2 3.65Å; K80-I109 CarbonylContact O-C 3.54Å; K80-I109 WeakPolarHBondContact O-CA 3.02Å; I81-I109 HydrophobicContact CG1-CG1 4.03Å; V99-I109 HydrophobicContact CG2-CD1 3.72Å
110	H	75.2	Confident	54	Low	91 Å²	91	96.1 Å²	96.1	42%	0.421	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124.7	-177.3	-57.3	-56.7	0	0	0	111.3	K80 D108 S112	K80-H110 PolarHBondContact N-O 2.68Å; K80-H110 PolarHBondContact O-N 2.79Å; D108-H110 VanDerWaalsContact CB-CE1 3.48Å; D108-H110 WeakPolarHBondContact CB-CE1 3.28Å; D108-H110 IonicContact OD2-CE1 3.12Å; H110-S112 PolarHBondContact O-N 2.81Å
111	V	66.4	Low	51.7	Low	68 Å²	68	102.3 Å²	102.3	41%	0.412	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	100	164.1	-175.8	0	0	0	0	108	V43 T75 H78 L79 Y113 F114	V43-V111 HydrophobicContact CG1-CG2 4.49Å; T75-V111 HydrophobicContact CG2-CG1 3.99Å; H78-V111 HydrophobicContact CB-CG1 4.4Å; L79-V111 HydrophobicContact CD2-CG2 3.71Å; V111-Y113 PolarHBondContact O-N 2.94Å; V111-F114 HydrophobicContact CG1-CB 4.44Å
112	S	58.4	Low	49.2	Very low	32 Å²	32	105.3 Å²	105.3	22%	0.224	55%	0.547	C	S	.	.			trans	-83	107.2	-176.6	-62.1	0	0	0	0	111.5	H78 K80 H110	H78-S112 WeakPolarHBondContact CB-O 3.4Å; H78-S112 PolarHBondContact CD2-O 2.9Å; H78-S112 WeakPolarHBondContact O-CB 3.43Å; H78-S112 PolarHBondContact O-N 2.81Å; K80-S112 WeakPolarHBondContact CD-OG 3.47Å; H110-S112 PolarHBondContact O-N 2.81Å
113	Y	52.5	Low	47.4	Very low	178 Å²	178	111.3 Å²	111.3	70%	0.698	57%	0.566	S	S	*	*			trans	50.4	62.4	167.2	-65.6	-77.4	0	0	0	116.1	H78 V111 Y115	H78-Y113 PolarHBondContact CD2-O 3.4Å; V111-Y113 PolarHBondContact O-N 2.94Å; Y113-Y115 HydrophobicContact CD1-CE2 4Å; Y113-Y115 HydrophobicContact CG-CE2 4.26Å; Y113-Y115 PolarHBondContact O-N 2.83Å
114	F	44.4	Very low	45.6	Very low	59 Å²	59	115.1 Å²	115.1	26%	0.259	59%	0.587	S	S	.	*			trans	-73.1	91.2	167.6	-167.2	-91.5	0	0	0	111.2	L74 T75 H78 V111 F116	L74-F114 HydrophobicContact CB-CE2 3.71Å; L74-F114 HydrophobicContact CB-CZ 3.75Å; L74-F114 HydrophobicContact CD1-CZ 4.37Å; L74-F114 HydrophobicContact CD2-CZ 4.38Å; L74-F114 HydrophobicContact CG-CZ 4.39Å; L74-F114 WeakPolarHBondContact O-CE2 3.38Å; T75-F114 HydrophobicContact CG2-CD2 4.28Å; T75-F114 HydrophobicContact CG2-CG 4.44Å; H78-F114 AromaticContact CE1-CD2 3.74Å; H78-F114 AromaticContact CE1-CE2 3.91Å; H78-F114 AromaticContact CG-CD2 3.94Å; H78-F114 AromaticContact ND1-CD2 3.56Å; H78-F114 AromaticContact ND1-CE2 3.97Å; V111-F114 HydrophobicContact CG1-CB 4.44Å; F114-F116 AromaticContact CD1-CD2 3.57Å; F114-F116 HydrophobicContact CD1-CD2 3.57Å; F114-F116 AromaticContact CD1-CE2 3.46Å; F114-F116 HydrophobicContact CD1-CE2 3.46Å; F114-F116 VanDerWaalsContact CD1-CE2 3.46Å; F114-F116 HydrophobicContact CD1-CG 4.25Å; F114-F116 HydrophobicContact CD1-CZ 4.06Å; F114-F116 HydrophobicContact CE1-CD1 4.01Å; F114-F116 AromaticContact CE1-CD2 3.59Å; F114-F116 HydrophobicContact CE1-CD2 3.59Å; F114-F116 AromaticContact CE1-CE1 3.82Å; F114-F116 HydrophobicContact CE1-CE1 3.82Å; F114-F116 AromaticContact CE1-CE2 3.38Å; F114-F116 HydrophobicContact CE1-CE2 3.38Å; F114-F116 AromaticContact CE1-CG 3.9Å; F114-F116 HydrophobicContact CE1-CG 3.9Å; F114-F116 AromaticContact CE1-CZ 3.49Å; F114-F116 HydrophobicContact CE1-CZ 3.49Å; F114-F116 VanDerWaalsContact CE1-CZ 3.49Å; F114-F116 HydrophobicContact CZ-CZ 4.49Å; F114-F116 PolarHBondContact O-N 2.82Å
115	Y	41.1	Very low	43.7	Very low	170 Å²	170	113.8 Å²	113.8	67%	0.667	58%	0.579	S	S	*	*			trans	-76.6	101.7	178.2	-83.4	-85.9	0	0	0	111.9	Y113 S117	Y113-Y115 HydrophobicContact CD1-CE2 4Å; Y113-Y115 HydrophobicContact CG-CE2 4.26Å; Y113-Y115 PolarHBondContact O-N 2.83Å; Y115-S117 PolarHBondContact O-N 2.8Å
116	F	38.2	Very low	42.1	Very low	126 Å²	126	118.8 Å²	118.8	55%	0.553	60%	0.596	S	S	*	*			trans	-68.6	64.3	158.3	-81.8	-77.5	0	0	0	110.7	F47 F114 K118	F47-F116 HydrophobicContact CE1-CE1 4.26Å; F47-F116 AromaticContact CE1-CE2 3.74Å; F47-F116 HydrophobicContact CE1-CE2 3.74Å; F47-F116 AromaticContact CE1-CZ 3.53Å; F47-F116 HydrophobicContact CE1-CZ 3.53Å; F47-F116 HydrophobicContact CZ-CE2 4.33Å; F47-F116 AromaticContact CZ-CZ 3.77Å; F47-F116 HydrophobicContact CZ-CZ 3.77Å; F114-F116 AromaticContact CD1-CD2 3.57Å; F114-F116 HydrophobicContact CD1-CD2 3.57Å; F114-F116 AromaticContact CD1-CE2 3.46Å; F114-F116 HydrophobicContact CD1-CE2 3.46Å; F114-F116 VanDerWaalsContact CD1-CE2 3.46Å; F114-F116 HydrophobicContact CD1-CG 4.25Å; F114-F116 HydrophobicContact CD1-CZ 4.06Å; F114-F116 HydrophobicContact CE1-CD1 4.01Å; F114-F116 AromaticContact CE1-CD2 3.59Å; F114-F116 HydrophobicContact CE1-CD2 3.59Å; F114-F116 AromaticContact CE1-CE1 3.82Å; F114-F116 HydrophobicContact CE1-CE1 3.82Å; F114-F116 AromaticContact CE1-CE2 3.38Å; F114-F116 HydrophobicContact CE1-CE2 3.38Å; F114-F116 AromaticContact CE1-CG 3.9Å; F114-F116 HydrophobicContact CE1-CG 3.9Å; F114-F116 AromaticContact CE1-CZ 3.49Å; F114-F116 HydrophobicContact CE1-CZ 3.49Å; F114-F116 VanDerWaalsContact CE1-CZ 3.49Å; F114-F116 HydrophobicContact CZ-CZ 4.49Å; F114-F116 PolarHBondContact O-N 2.82Å; F116-K118 PolarHBondContact O-N 2.8Å
117	S	25.5	Very low	40.5	Very low	102 Å²	102	116.3 Å²	116.3	71%	0.713	59%	0.59	S	S	*	*			trans	-73.1	2	-167.7	-151.5	0	0	0	0	115	Y115	Y115-S117 PolarHBondContact O-N 2.8Å
118	K	23.9	Very low	38.3	Very low	192 Å²	192	124 Å²	124	84%	0.835	62%	0.621	S	S	*	*	S	Bend	trans	-147.5	96.6	-179.9	-68.5	-172.5	179	179.3	0	111.7	F116	F116-K118 PolarHBondContact O-N 2.8Å
119	V	24.6	Very low	36	Very low	135 Å²	135	124.8 Å²	124.8	82%	0.818	62%	0.619	S	S	*	*	S	Bend	trans	175	112	134.7	148.9	0	0	0	0	108.8
120	V	23.7	Very low	33.6	Very low	128 Å²	128	130.1 Å²	130.1	78%	0.776	63%	0.634	S	S	*	*			trans	62.3	141.9	165.5	-180	0	0	0	0	117.7	S122	V120-S122 PolarHBondContact O-N 2.79Å; V120-S122 VanDerWaalsContact O-N 3.12Å
121	E	22.9	Very low	31.2	Very low	195 Å²	195	133.9 Å²	133.9	91%	0.911	65%	0.65	S	S	*	*	S	Bend	trans	-64	106.6	174.8	-65.5	169.9	110.1	0	0	111.2
122	S	22	Very low	29.1	Very low	79 Å²	79	137 Å²	137	55%	0.552	66%	0.658	S	S	*	*			trans	-156.8	136.5	170.2	-75.4	0	0	0	0	109.4	V120 V124	V120-S122 PolarHBondContact O-N 2.79Å; V120-S122 VanDerWaalsContact O-N 3.12Å; S122-V124 VanDerWaalsContact C-N 3.35Å; S122-V124 PolarHBondContact O-N 2.87Å
123	Y	23.1	Very low	27.5	Very low	206 Å²	206	143.7 Å²	143.7	81%	0.808	68%	0.678	S	S	*	*			trans	-74.4	82.7	-174	-70	-91.1	0	0	0	111.7	T125	Y123-T125 PolarHBondContact O-N 3.43Å
124	V	22.5	Very low	26.2	Very low	125 Å²	125	142.4 Å²	142.4	76%	0.758	68%	0.678	S	S	*	*			trans	-66.9	102.2	172.5	-179.9	0	0	0	0	109.4	S122 N126	S122-V124 VanDerWaalsContact C-N 3.35Å; S122-V124 PolarHBondContact O-N 2.87Å; V124-N126 PolarHBondContact O-N 2.56Å
125	T	24.5	Very low	25.3	Very low	86 Å²	86	143.2 Å²	143.2	53%	0.528	68%	0.682	S	S	.	*			trans	-72	115.8	174	51.1	0	0	0	0	110.2	Y123 Q127	Y123-T125 PolarHBondContact O-N 3.43Å; T125-Q127 PolarHBondContact O-N 2.64Å
126	N	23.1	Very low	24.6	Very low	147 Å²	147	142 Å²	142	79%	0.786	69%	0.686	S	S	*	*			trans	-58.9	104	174.8	-74.5	-46.4	0	0	0	111.1	V124	V124-N126 PolarHBondContact O-N 2.56Å
127	Q	24.7	Very low	24.3	Very low	102 Å²	102	142.8 Å²	142.8	48%	0.477	70%	0.696	S	S	.	*			trans	-91	115.4	167.9	-67	-161.3	-21.8	0	0	109.6	T125 F129	T125-Q127 PolarHBondContact O-N 2.64Å; Q127-F129 HydrophobicContact CB-CE2 4.49Å; Q127-F129 WeakPolarHBondContact O-CD2 3.41Å; Q127-F129 PolarHBondContact O-N 3.23Å; Q127-F129 VanDerWaalsContact O-N 3.13Å
128	F	22.6	Very low	24.6	Very low	201 Å²	201	142 Å²	142	88%	0.882	68%	0.679	S	S	*	*			trans	-65.8	107.6	167	-76.7	-92	0	0	0	109.2	R130	F128-R130 PolarHBondContact O-N 3Å; F128-R130 VanDerWaalsContact O-N 3.1Å
129	F	24	Very low	25.1	Very low	122 Å²	122	139.2 Å²	139.2	54%	0.535	67%	0.672	S	S	.	*			trans	-73.6	99.6	170.6	-80.1	-91.7	0	0	0	109.6	Q127 F131	Q127-F129 HydrophobicContact CB-CE2 4.49Å; Q127-F129 WeakPolarHBondContact O-CD2 3.41Å; Q127-F129 PolarHBondContact O-N 3.23Å; Q127-F129 VanDerWaalsContact O-N 3.13Å; F129-F131 HydrophobicContact CB-CE2 4.13Å
130	R	22	Very low	25.8	Very low	188 Å²	188	136.7 Å²	136.7	71%	0.709	65%	0.652	S	S	*	*			trans	-94.9	100.3	176	-163.5	174.2	-167.5	-169.2	4.7	109.4	F128 F132	F128-R130 PolarHBondContact O-N 3Å; F128-R130 VanDerWaalsContact O-N 3.1Å; R130-F132 HydrophobicContact CB-CE2 4.3Å; R130-F132 HydrophobicContact CG-CD2 4.38Å; R130-F132 HydrophobicContact CG-CE2 3.86Å; R130-F132 HydrophobicContact CG-CZ 4.12Å; R130-F132 PolarHBondContact O-N 3.24Å
131	F	24.2	Very low	26.7	Very low	171 Å²	171	134.2 Å²	134.2	75%	0.75	63%	0.632	S	S	*	*			trans	-75.4	108.2	177.6	-73.5	-86.9	0	0	0	110.5	F129	F129-F131 HydrophobicContact CB-CE2 4.13Å
132	F	23.5	Very low	27.7	Very low	134 Å²	134	125.2 Å²	125.2	59%	0.588	59%	0.591	S	S	*	*			trans	-93.6	131.5	166.8	-70.1	-82.9	0	0	0	109.7	R130	R130-F132 HydrophobicContact CB-CE2 4.3Å; R130-F132 HydrophobicContact CG-CD2 4.38Å; R130-F132 HydrophobicContact CG-CE2 3.86Å; R130-F132 HydrophobicContact CG-CZ 4.12Å; R130-F132 PolarHBondContact O-N 3.24Å
133	R	24.7	Very low	29.1	Very low	171 Å²	171	125 Å²	125	65%	0.645	58%	0.58	S	S	*	*			trans	-128.6	83.9	171.6	-165.1	177.3	-170.9	-167.5	2.5	110.1	F135 R237	R133-F135 HydrophobicContact CG-CE1 4.45Å; R133-R237 PolarHBondContact O-NH1 3.11Å; R133-R237 PolarHBondContact O-NH2 3.49Å
134	H	24.7	Very low	30.7	Very low	151 Å²	151	115.9 Å²	115.9	70%	0.699	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-58.9	142.3	164.8	-83.1	-85.4	0	0	0	109.6
135	F	25.8	Very low	32.3	Very low	77 Å²	77	112.6 Å²	112.6	34%	0.338	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-103	128.9	155.5	-82.5	4.2	0	0	0	105.7	R133 Y138 R237	R133-F135 HydrophobicContact CG-CE1 4.45Å; F135-Y138 VanDerWaalsContact CA-CE2 3.44Å; F135-Y138 HydrophobicContact CB-CD2 3.67Å; F135-Y138 HydrophobicContact CB-CE2 3.19Å; F135-Y138 HydrophobicContact CD1-CE1 4.35Å; F135-Y138 AromaticContact CD1-CE2 3.72Å; F135-Y138 HydrophobicContact CD1-CE2 3.72Å; F135-Y138 AromaticContact CD1-CZ 3.5Å; F135-Y138 VanDerWaalsContact CD1-CZ 3.5Å; F135-Y138 WeakPolarHBondContact CD1-OH 3.45Å; F135-Y138 HydrophobicContact CD2-CD2 4.1Å; F135-Y138 HydrophobicContact CD2-CE1 4.42Å; F135-Y138 AromaticContact CD2-CE2 3.89Å; F135-Y138 HydrophobicContact CD2-CE2 3.89Å; F135-Y138 HydrophobicContact CE1-CE1 4.47Å; F135-Y138 AromaticContact CE1-CZ 3.99Å; F135-Y138 AromaticContact CG-CD2 3.92Å; F135-Y138 HydrophobicContact CG-CD2 3.92Å; F135-Y138 HydrophobicContact CG-CE1 4.34Å; F135-Y138 AromaticContact CG-CE2 3.32Å; F135-Y138 HydrophobicContact CG-CE2 3.32Å; F135-Y138 AromaticContact CG-CZ 3.55Å; F135-R237 HydrophobicContact CB-CG 4.37Å; F135-R237 HydrophobicContact CD2-CG 4.24Å; F135-R237 VanDerWaalsContact CD2-NH2 3.28Å
136	L	26.7	Very low	34	Very low	144 Å²	144	108.5 Å²	108.5	75%	0.754	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-99.1	129.5	165.4	-58.8	108.6	0	0	0	107.8	Y138	L136-Y138 WeakPolarHBondContact O-CD2 3.32Å; L136-Y138 WeakPolarHBondContact O-CE2 3.35Å; L136-Y138 PolarHBondContact O-N 3.39Å
137	D	30.7	Very low	35.8	Very low	143 Å²	143	102.1 Å²	102.1	77%	0.765	46%	0.464	S	S	*	.			trans	2.6	98.7	175.5	-52.1	-10.4	0	0	0	116.1	L139 E197	D137-L139 PolarHBondContact O-N 3.46Å; D137-E197 WeakPolarHBondContact CA-OE1 3.12Å
138	Y	32.5	Very low	37.5	Very low	86 Å²	86	97.3 Å²	97.3	34%	0.337	44%	0.442	S	S	.	.			trans	-85.2	98	-165.6	-89.9	-111.1	0	0	0	114.2	F135 L136 M140 E197	F135-Y138 VanDerWaalsContact CA-CE2 3.44Å; F135-Y138 HydrophobicContact CB-CD2 3.67Å; F135-Y138 HydrophobicContact CB-CE2 3.19Å; F135-Y138 HydrophobicContact CD1-CE1 4.35Å; F135-Y138 AromaticContact CD1-CE2 3.72Å; F135-Y138 HydrophobicContact CD1-CE2 3.72Å; F135-Y138 AromaticContact CD1-CZ 3.5Å; F135-Y138 VanDerWaalsContact CD1-CZ 3.5Å; F135-Y138 WeakPolarHBondContact CD1-OH 3.45Å; F135-Y138 HydrophobicContact CD2-CD2 4.1Å; F135-Y138 HydrophobicContact CD2-CE1 4.42Å; F135-Y138 AromaticContact CD2-CE2 3.89Å; F135-Y138 HydrophobicContact CD2-CE2 3.89Å; F135-Y138 HydrophobicContact CE1-CE1 4.47Å; F135-Y138 AromaticContact CE1-CZ 3.99Å; F135-Y138 AromaticContact CG-CD2 3.92Å; F135-Y138 HydrophobicContact CG-CD2 3.92Å; F135-Y138 HydrophobicContact CG-CE1 4.34Å; F135-Y138 AromaticContact CG-CE2 3.32Å; F135-Y138 HydrophobicContact CG-CE2 3.32Å; F135-Y138 AromaticContact CG-CZ 3.55Å; L136-Y138 WeakPolarHBondContact O-CD2 3.32Å; L136-Y138 WeakPolarHBondContact O-CE2 3.35Å; L136-Y138 PolarHBondContact O-N 3.39Å; Y138-M140 PolarHBondContact O-N 3.47Å; Y138-E197 PolarHBondContact N-OE1 2.79Å
139	L	33.7	Very low	38.9	Very low	132 Å²	132	88.5 Å²	88.5	69%	0.691	40%	0.404	S	S	*	.			trans	-67.2	93.5	158.5	-71.1	176.8	0	0	0	110.1	D137	D137-L139 PolarHBondContact O-N 3.46Å
140	M	40.5	Very low	40.4	Very low	83 Å²	83	85.1 Å²	85.1	41%	0.409	39%	0.388	S	S	.	.			trans	-91.6	112.6	178.6	-62.9	-173.2	64.4	0	0	111.5	Y138 C142 L193 I440	Y138-M140 PolarHBondContact O-N 3.47Å; M140-C142 PolarHBondContact O-N 3.08Å; M140-L193 WeakPolarHBondContact O-CA 3.32Å; M140-I440 HydrophobicContact CE-CD1 3.87Å
141	E	42.7	Very low	41.8	Very low	75 Å²	75	78.3 Å²	78.3	35%	0.35	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	98.8	172.1	-175.6	-177.1	-173.2	0	0	111	R191 L193 I440	E141-R191 WeakPolarHBondContact OE1-CD 3.2Å; E141-R191 IonicContact OE1-CZ 2.65Å; E141-R191 IonicContact OE1-NE 2.68Å; E141-R191 IonicContact OE1-NH1 2.69Å; E141-R191 PolarHBondContact OE1-NH1 3.44Å; E141-L193 HydrophobicContact CB-CD2 4.08Å; E141-I440 WeakPolarHBondContact O-CG1 3.45Å; E141-I440 WeakPolarHBondContact O-CG2 3.21Å
142	C	43.3	Very low	43.1	Very low	7 Å²	7	75.2 Å²	75.2	5%	0.047	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	140.7	179.8	-56.6	0	0	0	0	111.7	M140 R191 Y192 P438 I440	M140-C142 PolarHBondContact O-N 3.08Å; C142-R191 CarbonylContact O-C 3.25Å; C142-R191 WeakPolarHBondContact O-CA 3.22Å; C142-Y192 HydrophobicContact CB-CD1 3.7Å; C142-Y192 HydrophobicContact CB-CD2 3.75Å; C142-Y192 HydrophobicContact CB-CE1 3.36Å; C142-Y192 HydrophobicContact CB-CE2 3.41Å; C142-Y192 VanDerWaalsContact CB-CE2 3.41Å; C142-Y192 HydrophobicContact CB-CG 3.88Å; C142-Y192 WeakPolarHBondContact CB-O 2.99Å; C142-Y192 PolarHBondContact N-O 3.16Å; C142-Y192 PolarHBondContact O-N 3.15Å; C142-Y192 VanDerWaalsContact SG-CE2 3.5Å; C142-P438 HydrophobicContact CB-CB 4.06Å; C142-P438 HydrophobicContact CB-CG 4.21Å; C142-I440 HydrophobicContact CB-CD1 4.24Å; C142-I440 VanDerWaalsContact SG-CD1 3.5Å
143	F	52.5	Low	44.1	Very low	74 Å²	74	71.4 Å²	71.4	33%	0.325	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	122.8	168.2	-65.8	-93.2	0	0	0	111.4	R191 P438	F143-R191 HydrophobicContact CD1-CG 3.82Å; F143-R191 HydrophobicContact CE1-CG 3.82Å; F143-P438 VanDerWaalsContact O-CB 3.28Å; F143-P438 WeakPolarHBondContact O-CB 3.24Å; F143-P438 WeakPolarHBondContact O-CG 3.43Å
144	L	56.2	Low	45.5	Very low	15 Å²	15	66.3 Å²	66.3	8%	0.079	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	119.3	173.3	-164.5	74.5	0	0	0	109.6	I146 V170 F190 Y192 I203 V205 M434	L144-I146 HydrophobicContact CD2-CD1 4.34Å; L144-I146 HydrophobicContact CD2-CG1 4.41Å; L144-I146 HydrophobicContact CG-CG1 4.49Å; L144-V170 HydrophobicContact CD2-CG1 3.97Å; L144-V170 HydrophobicContact CD2-CG2 4.17Å; L144-F190 HydrophobicContact CB-CB 4.08Å; L144-F190 HydrophobicContact CD2-CB 4.24Å; L144-F190 HydrophobicContact CD2-CD2 4.45Å; L144-F190 PolarHBondContact N-O 3.41Å; L144-Y192 HydrophobicContact CB-CD1 4.31Å; L144-Y192 HydrophobicContact CB-CE1 4.43Å; L144-Y192 HydrophobicContact CD1-CD1 4.42Å; L144-Y192 HydrophobicContact CD1-CE1 4.05Å; L144-I203 HydrophobicContact CD1-CD1 4.3Å; L144-I203 HydrophobicContact CD1-CG2 4.49Å; L144-I203 HydrophobicContact CD2-CG2 4.09Å; L144-V205 HydrophobicContact CD2-CG2 3.91Å; L144-M434 HydrophobicContact CD1-CE 3.48Å; L144-M434 VanDerWaalsContact CD1-CE 3.48Å; L144-M434 HydrophobicContact CD2-CE 4.03Å; L144-M434 HydrophobicContact CG-CE 3.56Å
145	N	56.2	Low	47.2	Very low	56 Å²	56	63.7 Å²	63.7	30%	0.299	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	114	176.6	179.5	19.3	0	0	0	109.8	M434 S435	N145-M434 VanDerWaalsContact O-CA 3.24Å; N145-M434 WeakPolarHBondContact O-CA 3.33Å; N145-M434 WeakPolarHBondContact O-CB 3.3Å; N145-S435 VanDerWaalsContact CB-OG 3.26Å; N145-S435 WeakPolarHBondContact CB-OG 3.25Å; N145-S435 WeakPolarHBondContact ND2-CB 2.73Å; N145-S435 PolarHBondContact ND2-OG 2.97Å; N145-S435 PolarHBondContact O-N 2.74Å
146	I	60.6	Low	48.8	Very low	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	142.1	178.3	-55.2	153.3	0	0	0	108.5	L144 L158 F190 V205 V207 I432 M434	L144-I146 HydrophobicContact CD2-CD1 4.34Å; L144-I146 HydrophobicContact CD2-CG1 4.41Å; L144-I146 HydrophobicContact CG-CG1 4.49Å; I146-L158 HydrophobicContact CB-CB 3.87Å; I146-L158 HydrophobicContact CB-CD2 3.7Å; I146-L158 HydrophobicContact CB-CG 4.42Å; I146-L158 HydrophobicContact CD1-CD2 3.62Å; I146-L158 HydrophobicContact CG1-CD2 4.28Å; I146-L158 HydrophobicContact CG2-CB 4.09Å; I146-L158 HydrophobicContact CG2-CD2 3.83Å; I146-L158 HydrophobicContact CG2-CG 4.48Å; I146-L158 WeakPolarHBondContact O-CB 3.19Å; I146-L158 PolarHBondContact O-N 2.91Å; I146-F190 HydrophobicContact CD1-CD2 3.85Å; I146-F190 HydrophobicContact CD1-CE2 3.76Å; I146-V205 HydrophobicContact CD1-CG1 3.62Å; I146-V205 HydrophobicContact CD1-CG2 4.45Å; I146-V205 HydrophobicContact CG1-CG1 4.21Å; I146-V207 HydrophobicContact CG2-CG2 4.45Å; I146-I432 HydrophobicContact CG2-CG2 3.89Å; I146-M434 HydrophobicContact CB-CE 4.46Å; I146-M434 HydrophobicContact CG1-CE 3.58Å; I146-M434 HydrophobicContact CG1-SD 4.43Å
147	V	61	Low	50.4	Low	12 Å²	12	55.4 Å²	55.4	7%	0.073	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	136.8	-179.5	178.9	0	0	0	0	108.2	K155 T156 A157 I432 H433	V147-K155 HydrophobicContact CG1-CB 4.37Å; V147-T156 CarbonylContact C-O 3.36Å; V147-T156 WeakPolarHBondContact CG1-O 3.49Å; V147-A157 HydrophobicContact CG2-CB 4.06Å; V147-I432 CarbonylContact O-C 3.6Å; V147-I432 VanDerWaalsContact O-CA 3.23Å; V147-I432 WeakPolarHBondContact O-CA 3.17Å; V147-I432 VanDerWaalsContact O-CG2 3.26Å; V147-I432 WeakPolarHBondContact O-CG2 3.36Å; V147-H433 CarbonylContact C-O 3.5Å; V147-H433 WeakPolarHBondContact CA-O 3.33Å; V147-H433 HydrophobicContact CB-CB 3.86Å; V147-H433 VanDerWaalsContact CB-ND1 3.33Å; V147-H433 WeakPolarHBondContact CB-ND1 3.46Å; V147-H433 VanDerWaalsContact CB-O 3.3Å; V147-H433 WeakPolarHBondContact CB-O 3.17Å; V147-H433 HydrophobicContact CG1-CB 3.99Å; V147-H433 VanDerWaalsContact CG2-ND1 3.25Å; V147-H433 WeakPolarHBondContact CG2-ND1 3.39Å; V147-H433 PolarHBondContact N-O 3.32Å; V147-H433 CarbonylContact O-C 3.59Å; V147-H433 PolarHBondContact O-N 2.91Å
148	L	58.7	Low	52	Low	2 Å²	2	48.6 Å²	48.6	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	130.8	171	-50	-168.1	0	0	0	109.1	Y150 K155 T156 L161 L225 V430 S431 I432	L148-Y150 HydrophobicContact CB-CE2 3.85Å; L148-K155 CarbonylContact O-C 3.54Å; L148-K155 WeakPolarHBondContact O-CA 3.46Å; L148-T156 PolarHBondContact N-O 3.36Å; L148-T156 PolarHBondContact O-N 2.83Å; L148-L161 HydrophobicContact CD1-CD1 3.56Å; L148-L161 HydrophobicContact CG-CD1 4.09Å; L148-L225 HydrophobicContact CD1-CD2 3.77Å; L148-V430 HydrophobicContact CB-CG1 4.23Å; L148-V430 HydrophobicContact CD1-CG1 4.29Å; L148-S431 WeakPolarHBondContact CA-O 3.24Å; L148-I432 HydrophobicContact CD2-CD1 3.87Å; L148-I432 HydrophobicContact CD2-CG1 3.77Å
149	E	53.1	Low	53.5	Low	15 Å²	15	47.3 Å²	47.3	7%	0.07	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	161.3	162.2	178.6	-172.4	-117.8	0	0	107.6	T154 K155 F369 V430 S431	E149-T154 CarbonylContact C-O 3.56Å; E149-T154 VanDerWaalsContact CA-O 3.24Å; E149-T154 WeakPolarHBondContact CA-O 3.36Å; E149-K155 HydrophobicContact CB-CG 4Å; E149-K155 VanDerWaalsContact CD-CE 3.48Å; E149-K155 HydrophobicContact CG-CD 4.49Å; E149-K155 HydrophobicContact CG-CG 3.97Å; E149-K155 WeakPolarHBondContact OE1-CE 3.12Å; E149-K155 IonicContact OE1-NZ 3.69Å; E149-K155 PolarHBondContact OE1-NZ 2.95Å; E149-F369 WeakPolarHBondContact OE1-CE1 3.49Å; E149-V430 CarbonylContact O-C 3.55Å; E149-V430 WeakPolarHBondContact O-CA 3.32Å; E149-V430 WeakPolarHBondContact O-CG1 3.47Å; E149-S431 WeakPolarHBondContact CB-OG 3.26Å; E149-S431 VanDerWaalsContact CD-OG 3.32Å; E149-S431 WeakPolarHBondContact CG-OG 3.28Å; E149-S431 PolarHBondContact N-O 2.89Å; E149-S431 CarbonylContact O-C 3.47Å; E149-S431 PolarHBondContact O-N 2.8Å; E149-S431 WeakPolarHBondContact OE2-CB 3.48Å; E149-S431 PolarHBondContact OE2-OG 3.38Å
150	Y	55.6	Low	54.7	Low	52 Å²	52	47.5 Å²	47.5	20%	0.204	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	161.2	-178	-55.6	-101.9	0	0	0	110.6	L148 D152 G153 T154 E429 V430	L148-Y150 HydrophobicContact CB-CE2 3.85Å; Y150-D152 WeakPolarHBondContact CB-OD1 3.25Å; Y150-D152 PolarHBondContact O-N 2.65Å; Y150-D152 VanDerWaalsContact O-N 3.07Å; Y150-G153 WeakPolarHBondContact O-CA 3.41Å; Y150-G153 PolarHBondContact O-N 2.89Å; Y150-T154 VanDerWaalsContact CD2-OG1 3.32Å; Y150-T154 WeakPolarHBondContact CD2-OG1 3.26Å; Y150-T154 PolarHBondContact N-O 2.85Å; Y150-E429 CarbonylContact C-O 3.55Å; Y150-E429 VanDerWaalsContact CA-O 3.27Å; Y150-E429 WeakPolarHBondContact CA-O 3.43Å; Y150-V430 HydrophobicContact CD1-CG1 4.3Å; Y150-V430 HydrophobicContact CD1-CG2 3.94Å; Y150-V430 HydrophobicContact CE1-CG1 4.28Å; Y150-V430 HydrophobicContact CE1-CG2 4.2Å
151	S	51.7	Low	55.7	Low	45 Å²	45	45 Å²	45	32%	0.315	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-22.1	-177.3	56.1	0	0	0	0	115.1	G153 S428 E429	S151-G153 PolarHBondContact O-N 3.47Å; S151-S428 WeakPolarHBondContact OG-CA 3.3Å; S151-S428 WeakPolarHBondContact OG-CB 3.46Å; S151-E429 VanDerWaalsContact CB-N 3.29Å; S151-E429 PolarHBondContact N-O 3.28Å; S151-E429 PolarHBondContact OG-N 2.85Å
152	D	49.8	Very low	56.4	Low	106 Å²	106	44.4 Å²	44.4	57%	0.567	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	1.3	174.7	64.1	3.1	0	0	0	112.7	Y150 T154	Y150-D152 WeakPolarHBondContact CB-OD1 3.25Å; Y150-D152 PolarHBondContact O-N 2.65Å; Y150-D152 VanDerWaalsContact O-N 3.07Å; D152-T154 VanDerWaalsContact C-N 3.3Å; D152-T154 VanDerWaalsContact OD1-CB 3.29Å; D152-T154 WeakPolarHBondContact OD1-CB 3.28Å; D152-T154 VanDerWaalsContact OD1-CG2 3.31Å; D152-T154 WeakPolarHBondContact OD1-CG2 3.32Å; D152-T154 PolarHBondContact OD1-N 2.81Å; D152-T154 PolarHBondContact OD1-OG1 3.24Å
153	G	46.2	Very low	57.3	Low	54 Å²	54	48.1 Å²	48.1	56%	0.557	27%	0.268	S	S	*	.	S	Bend	trans	81.5	3.4	-178	0	0	0	0	0	113.9	Y150 S151	Y150-G153 WeakPolarHBondContact O-CA 3.41Å; Y150-G153 PolarHBondContact O-N 2.89Å; S151-G153 PolarHBondContact O-N 3.47Å
154	T	53	Low	57.5	Low	63 Å²	63	49.6 Å²	49.6	39%	0.387	28%	0.283	S	S	.	.			trans	-70.7	155.4	175.8	61.4	0	0	0	0	111.4	E149 Y150 D152	E149-T154 CarbonylContact C-O 3.56Å; E149-T154 VanDerWaalsContact CA-O 3.24Å; E149-T154 WeakPolarHBondContact CA-O 3.36Å; Y150-T154 VanDerWaalsContact CD2-OG1 3.32Å; Y150-T154 WeakPolarHBondContact CD2-OG1 3.26Å; Y150-T154 PolarHBondContact N-O 2.85Å; D152-T154 VanDerWaalsContact C-N 3.3Å; D152-T154 VanDerWaalsContact OD1-CB 3.29Å; D152-T154 WeakPolarHBondContact OD1-CB 3.28Å; D152-T154 VanDerWaalsContact OD1-CG2 3.31Å; D152-T154 WeakPolarHBondContact OD1-CG2 3.32Å; D152-T154 PolarHBondContact OD1-N 2.81Å; D152-T154 PolarHBondContact OD1-OG1 3.24Å
155	K	60.6	Low	57.5	Low	96 Å²	96	52.7 Å²	52.7	42%	0.417	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	133.1	175.9	-66	-177.4	179.7	-175.6	0	108.6	V147 L148 E149	V147-K155 HydrophobicContact CG1-CB 4.37Å; L148-K155 CarbonylContact O-C 3.54Å; L148-K155 WeakPolarHBondContact O-CA 3.46Å; E149-K155 HydrophobicContact CB-CG 4Å; E149-K155 VanDerWaalsContact CD-CE 3.48Å; E149-K155 HydrophobicContact CG-CD 4.49Å; E149-K155 HydrophobicContact CG-CG 3.97Å; E149-K155 WeakPolarHBondContact OE1-CE 3.12Å; E149-K155 IonicContact OE1-NZ 3.69Å; E149-K155 PolarHBondContact OE1-NZ 2.95Å
156	T	59	Low	57.7	Low	37 Å²	37	50.4 Å²	50.4	23%	0.227	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	121.7	-178.5	-53.1	0	0	0	0	107.6	V147 L148 E160 L161	V147-T156 CarbonylContact C-O 3.36Å; V147-T156 WeakPolarHBondContact CG1-O 3.49Å; L148-T156 PolarHBondContact N-O 3.36Å; L148-T156 PolarHBondContact O-N 2.83Å; T156-E160 WeakPolarHBondContact CA-OE2 3.46Å; T156-E160 HydrophobicContact CG2-CB 3.91Å; T156-L161 HydrophobicContact CG2-CD2 4.02Å; T156-L161 HydrophobicContact CG2-CG 4.13Å
157	A	62	Low	57.7	Low	10 Å²	10	56 Å²	56	8%	0.083	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	147.8	177.6	0	0	0	0	0	110.8	V147 S159 E160 L161	V147-A157 HydrophobicContact CG2-CB 4.06Å; A157-S159 VanDerWaalsContact CB-OG 3.28Å; A157-S159 WeakPolarHBondContact CB-OG 3.37Å; A157-S159 PolarHBondContact O-N 2.77Å; A157-E160 HydrophobicContact CB-CB 4.13Å; A157-E160 HydrophobicContact CB-CG 3.82Å; A157-E160 PolarHBondContact N-OE2 3.08Å; A157-E160 WeakPolarHBondContact O-CA 3.38Å; A157-E160 WeakPolarHBondContact O-CB 3.43Å; A157-E160 PolarHBondContact O-N 2.83Å; A157-L161 PolarHBondContact O-N 3.14Å; A157-L161 VanDerWaalsContact O-N 3.11Å
158	L	62.9	Low	57.7	Low	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-25.8	170.8	-166.9	66.3	0	0	0	110.2	I146 L161 F166 A168 A188 V207	I146-L158 HydrophobicContact CB-CB 3.87Å; I146-L158 HydrophobicContact CB-CD2 3.7Å; I146-L158 HydrophobicContact CB-CG 4.42Å; I146-L158 HydrophobicContact CD1-CD2 3.62Å; I146-L158 HydrophobicContact CG1-CD2 4.28Å; I146-L158 HydrophobicContact CG2-CB 4.09Å; I146-L158 HydrophobicContact CG2-CD2 3.83Å; I146-L158 HydrophobicContact CG2-CG 4.48Å; I146-L158 WeakPolarHBondContact O-CB 3.19Å; I146-L158 PolarHBondContact O-N 2.91Å; L158-L161 HydrophobicContact CD1-CD1 4Å; L158-L161 PolarHBondContact O-N 2.92Å; L158-F166 HydrophobicContact CD1-CB 4.23Å; L158-F166 HydrophobicContact CD1-CD1 3.9Å; L158-F166 HydrophobicContact CD1-CD2 3.46Å; L158-F166 VanDerWaalsContact CD1-CD2 3.46Å; L158-F166 HydrophobicContact CD1-CE1 4.08Å; L158-F166 HydrophobicContact CD1-CE2 3.65Å; L158-F166 HydrophobicContact CD1-CG 3.58Å; L158-F166 HydrophobicContact CD1-CZ 3.97Å; L158-F166 HydrophobicContact CD2-CD2 4.09Å; L158-F166 HydrophobicContact CD2-CE2 3.77Å; L158-F166 HydrophobicContact CD2-CZ 4.43Å; L158-F166 HydrophobicContact CG-CD2 3.88Å; L158-F166 HydrophobicContact CG-CE1 4.26Å; L158-F166 HydrophobicContact CG-CE2 3.52Å; L158-F166 HydrophobicContact CG-CG 4.38Å; L158-F166 HydrophobicContact CG-CZ 3.74Å; L158-F166 WeakPolarHBondContact O-CE1 3.39Å; L158-F166 WeakPolarHBondContact O-CZ 3.44Å; L158-A168 HydrophobicContact CD2-CB 4.03Å; L158-A188 HydrophobicContact CB-CB 4.02Å; L158-A188 HydrophobicContact CD2-CB 4.34Å; L158-A188 HydrophobicContact CG-CB 3.95Å; L158-A188 VanDerWaalsContact O-CB 3.31Å; L158-A188 WeakPolarHBondContact O-CB 3.3Å; L158-V207 HydrophobicContact CD1-CG1 4.26Å
159	S	63.8	Low	57.9	Low	59 Å²	59	58.3 Å²	58.3	41%	0.413	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-12.7	171.6	51.3	0	0	0	0	114.8	A157 A188	A157-S159 VanDerWaalsContact CB-OG 3.28Å; A157-S159 WeakPolarHBondContact CB-OG 3.37Å; A157-S159 PolarHBondContact O-N 2.77Å; S159-A188 VanDerWaalsContact CA-CB 3.46Å; S159-A188 VanDerWaalsContact N-CB 3.32Å
160	E	60.4	Low	58.4	Low	136 Å²	136	58.7 Å²	58.7	64%	0.636	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-19.3	170.4	-71.4	164	175.5	0	0	111.7	T156 A157	T156-E160 WeakPolarHBondContact CA-OE2 3.46Å; T156-E160 HydrophobicContact CG2-CB 3.91Å; A157-E160 HydrophobicContact CB-CB 4.13Å; A157-E160 HydrophobicContact CB-CG 3.82Å; A157-E160 PolarHBondContact N-OE2 3.08Å; A157-E160 WeakPolarHBondContact O-CA 3.38Å; A157-E160 WeakPolarHBondContact O-CB 3.43Å; A157-E160 PolarHBondContact O-N 2.83Å
161	L	61.3	Low	58.9	Low	30 Å²	30	59.6 Å²	59.6	16%	0.157	34%	0.341	C	S	.	.	S	Bend	trans	-73.6	140.6	170.1	-70.5	177.5	0	0	0	111.4	L148 T156 A157 L158 F166	L148-L161 HydrophobicContact CD1-CD1 3.56Å; L148-L161 HydrophobicContact CG-CD1 4.09Å; T156-L161 HydrophobicContact CG2-CD2 4.02Å; T156-L161 HydrophobicContact CG2-CG 4.13Å; A157-L161 PolarHBondContact O-N 3.14Å; A157-L161 VanDerWaalsContact O-N 3.11Å; L158-L161 HydrophobicContact CD1-CD1 4Å; L158-L161 PolarHBondContact O-N 2.92Å; L161-F166 HydrophobicContact CB-CD1 3.77Å; L161-F166 HydrophobicContact CB-CE1 3.77Å; L161-F166 HydrophobicContact CD1-CD1 4.32Å
162	P	57.7	Low	59.7	Low	63 Å²	63	59.9 Å²	59.9	41%	0.409	34%	0.34	S	S	.	.			trans	-67.8	140	173.4	30.4	-34.4	0	0	0	109.9	T164 D165	P162-T164 PolarHBondContact O-N 2.73Å; P162-D165 HydrophobicContact CG-CB 3.98Å; P162-D165 PolarHBondContact O-N 3.35Å
163	H	60.9	Low	60.3	Low	86 Å²	86	57.9 Å²	57.9	40%	0.398	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-1.4	-175.3	-41.8	-37.1	0	0	0	114	F185 S186	H163-F185 PolarHBondContact CD2-O 2.68Å; H163-S186 PolarHBondContact CE1-OG 3Å; H163-S186 VanDerWaalsContact CE1-OG 3.26Å
164	T	57.4	Low	61.1	Low	105 Å²	105	58.3 Å²	58.3	64%	0.644	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-19.5	168.8	48.4	0	0	0	0	113.4	P162 S210	P162-T164 PolarHBondContact O-N 2.73Å; T164-S210 WeakPolarHBondContact O-CB 3.31Å
165	D	55.3	Low	61.4	Low	79 Å²	79	57.5 Å²	57.5	42%	0.422	33%	0.328	S	S	.	.	S	Bend	trans	-104.7	-9	-160.9	-71.4	22.5	0	0	0	113.8	P162 S210	P162-D165 HydrophobicContact CG-CB 3.98Å; P162-D165 PolarHBondContact O-N 3.35Å; D165-S210 VanDerWaalsContact C-CB 3.44Å; D165-S210 VanDerWaalsContact CA-CB 3.47Å; D165-S210 WeakPolarHBondContact CA-OG 3.27Å; D165-S210 WeakPolarHBondContact O-CB 3.29Å; D165-S210 PolarHBondContact O-N 3.21Å; D165-S210 VanDerWaalsContact O-N 3.15Å; D165-S210 PolarHBondContact O-OG 3.24Å
166	F	61.1	Low	61.2	Low	9 Å²	9	53 Å²	53	4%	0.039	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	151.2	177.4	68.3	-85.6	0	0	0	112.5	L158 L161 A168 A188 V207 A208	L158-F166 HydrophobicContact CD1-CB 4.23Å; L158-F166 HydrophobicContact CD1-CD1 3.9Å; L158-F166 HydrophobicContact CD1-CD2 3.46Å; L158-F166 VanDerWaalsContact CD1-CD2 3.46Å; L158-F166 HydrophobicContact CD1-CE1 4.08Å; L158-F166 HydrophobicContact CD1-CE2 3.65Å; L158-F166 HydrophobicContact CD1-CG 3.58Å; L158-F166 HydrophobicContact CD1-CZ 3.97Å; L158-F166 HydrophobicContact CD2-CD2 4.09Å; L158-F166 HydrophobicContact CD2-CE2 3.77Å; L158-F166 HydrophobicContact CD2-CZ 4.43Å; L158-F166 HydrophobicContact CG-CD2 3.88Å; L158-F166 HydrophobicContact CG-CE1 4.26Å; L158-F166 HydrophobicContact CG-CE2 3.52Å; L158-F166 HydrophobicContact CG-CG 4.38Å; L158-F166 HydrophobicContact CG-CZ 3.74Å; L158-F166 WeakPolarHBondContact O-CE1 3.39Å; L158-F166 WeakPolarHBondContact O-CZ 3.44Å; L161-F166 HydrophobicContact CB-CD1 3.77Å; L161-F166 HydrophobicContact CB-CE1 3.77Å; L161-F166 HydrophobicContact CD1-CD1 4.32Å; F166-A168 HydrophobicContact CD2-CB 4.06Å; F166-A168 HydrophobicContact CE2-CB 4.24Å; F166-A188 HydrophobicContact CZ-CB 4.04Å; F166-V207 HydrophobicContact CB-CG1 4.16Å; F166-A208 CarbonylContact C-O 3.43Å; F166-A208 WeakPolarHBondContact CA-O 3.47Å
167	E	60.6	Low	61.2	Low	117 Å²	117	51.4 Å²	51.4	55%	0.547	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	127.6	165	-179.4	177.1	172.3	0	0	107.2	V207 A208 C213	E167-V207 CarbonylContact O-C 3.47Å; E167-V207 WeakPolarHBondContact O-CA 3.49Å; E167-A208 HydrophobicContact CB-CB 4.38Å; E167-A208 PolarHBondContact N-O 2.91Å; E167-A208 PolarHBondContact O-N 3.38Å; E167-C213 PolarHBondContact OE2-SG 3.4Å; E167-C213 VanDerWaalsContact OE2-SG 3.36Å
168	A	61.1	Low	61	Low	19 Å²	19	53.8 Å²	53.8	16%	0.157	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	120.2	-178	0	0	0	0	0	110.5	L158 F166 F190 K206	L158-A168 HydrophobicContact CD2-CB 4.03Å; F166-A168 HydrophobicContact CD2-CB 4.06Å; F166-A168 HydrophobicContact CE2-CB 4.24Å; A168-F190 HydrophobicContact CB-CE2 3.99Å; A168-F190 HydrophobicContact CB-CZ 3.77Å; A168-F190 WeakPolarHBondContact O-CZ 3.19Å; A168-K206 CarbonylContact C-O 3.55Å; A168-K206 VanDerWaalsContact CA-O 3.32Å; A168-K206 WeakPolarHBondContact CA-O 3.03Å
169	S	62.9	Low	60.8	Low	44 Å²	44	55.6 Å²	55.6	31%	0.308	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	145.7	170	85.2	0	0	0	0	110.5	E171 V205 K206	S169-E171 PolarHBondContact OG-OE1 3.5Å; S169-V205 WeakPolarHBondContact O-CA 3.42Å; S169-K206 PolarHBondContact N-O 3.03Å; S169-K206 PolarHBondContact O-N 2.72Å
170	V	63.5	Low	60.4	Low	22 Å²	22	56 Å²	56	13%	0.133	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	125.8	176.4	-168.1	0	0	0	0	108.9	L144 I179 F190 I203 R204 V205	L144-V170 HydrophobicContact CD2-CG1 3.97Å; L144-V170 HydrophobicContact CD2-CG2 4.17Å; V170-I179 VanDerWaalsContact C-CD1 3.48Å; V170-I179 HydrophobicContact CB-CD1 3.93Å; V170-I179 HydrophobicContact CG1-CD1 3.55Å; V170-I179 HydrophobicContact CG1-CG1 4.43Å; V170-I179 VanDerWaalsContact O-CD1 3.24Å; V170-I179 WeakPolarHBondContact O-CD1 3.35Å; V170-F190 HydrophobicContact CB-CD1 4.12Å; V170-F190 HydrophobicContact CB-CE1 4.41Å; V170-F190 HydrophobicContact CB-CG 4.35Å; V170-F190 HydrophobicContact CG2-CB 4.33Å; V170-F190 HydrophobicContact CG2-CD1 3.56Å; V170-F190 HydrophobicContact CG2-CD2 3.61Å; V170-F190 HydrophobicContact CG2-CE1 3.68Å; V170-F190 HydrophobicContact CG2-CE2 3.74Å; V170-F190 HydrophobicContact CG2-CG 3.53Å; V170-F190 HydrophobicContact CG2-CZ 3.77Å; V170-I203 HydrophobicContact CG1-CG2 3.37Å; V170-R204 CarbonylContact C-O 3.5Å; V170-R204 VanDerWaalsContact CA-O 3.29Å; V170-R204 WeakPolarHBondContact CA-O 3.42Å; V170-V205 HydrophobicContact CG1-CG2 4.27Å; V170-V205 HydrophobicContact CG2-CG1 4.49Å; V170-V205 HydrophobicContact CG2-CG2 4.29Å
171	E	65.9	Low	60.2	Low	72 Å²	72	57.2 Å²	57.2	34%	0.336	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	134.3	-170.3	-70.8	159.4	-151.9	0	0	110.8	S169 R204 K206	S169-E171 PolarHBondContact OG-OE1 3.5Å; E171-R204 HydrophobicContact CB-CB 4.34Å; E171-R204 PolarHBondContact N-O 3.46Å; E171-R204 PolarHBondContact O-N 3.32Å; E171-K206 VanDerWaalsContact OE1-CE 3.3Å; E171-K206 WeakPolarHBondContact OE1-CE 3.39Å; E171-K206 IonicContact OE1-NZ 2.64Å; E171-K206 PolarHBondContact OE1-NZ 2.99Å; E171-K206 VanDerWaalsContact OE2-CE 3.31Å; E171-K206 WeakPolarHBondContact OE2-CE 3.37Å; E171-K206 IonicContact OE2-NZ 2.73Å; E171-K206 PolarHBondContact OE2-NZ 3.5Å
172	T	67.5	Low	59.7	Low	50 Å²	50	57.1 Å²	57.1	31%	0.307	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	127.2	170.6	54.9	0	0	0	0	110.2	L177 I179 T202	T172-L177 HydrophobicContact CG2-CB 3.68Å; T172-L177 HydrophobicContact CG2-CD1 4.39Å; T172-I179 HydrophobicContact CG2-CD1 3.63Å; T172-I179 HydrophobicContact CG2-CG1 3.73Å; T172-T202 WeakPolarHBondContact CA-O 3.36Å
173	S	62.4	Low	59.2	Low	64 Å²	64	61.8 Å²	61.8	45%	0.448	35%	0.345	S	S	.	.	S	Bend	trans	-96.2	0.7	-176.1	83.8	0	0	0	0	116.5	T202 R204	S173-T202 PolarHBondContact N-O 3.17Å; S173-T202 PolarHBondContact OG-OG1 2.75Å; S173-R204 VanDerWaalsContact CB-CZ 3.42Å; S173-R204 PolarHBondContact OG-NH2 3.32Å
174	D	63.9	Low	58.4	Low	63 Å²	63	61.2 Å²	61.2	34%	0.337	35%	0.351	S	S	.	.	S	Bend	trans	-135.3	-13.2	-169.9	33.5	31.7	0	0	0	115.2	S176 G201 T202	D174-S176 PolarHBondContact O-N 2.8Å; D174-S176 PolarHBondContact OD1-OG 3.49Å; D174-G201 WeakPolarHBondContact OD1-CA 3.29Å; D174-G201 VanDerWaalsContact OD2-C 3.26Å; D174-G201 VanDerWaalsContact OD2-CA 3.26Å; D174-G201 WeakPolarHBondContact OD2-CA 3.41Å; D174-T202 VanDerWaalsContact CG-N 3.35Å; D174-T202 PolarHBondContact OD1-N 3.4Å; D174-T202 VanDerWaalsContact OD1-N 3.08Å; D174-T202 PolarHBondContact OD1-OG1 3.32Å; D174-T202 VanDerWaalsContact OD2-CB 3.28Å; D174-T202 WeakPolarHBondContact OD2-CB 3.15Å; D174-T202 VanDerWaalsContact OD2-CG2 3.32Å; D174-T202 WeakPolarHBondContact OD2-CG2 3.45Å; D174-T202 PolarHBondContact OD2-N 2.58Å; D174-T202 PolarHBondContact OD2-OG1 3.38Å
175	G	60.1	Low	57.7	Low	46 Å²	46	65.8 Å²	65.8	47%	0.474	36%	0.363	S	S	.	.	S	Bend	trans	68.8	14.1	175.5	0	0	0	0	0	115.3	L177 M195	G175-L177 VanDerWaalsContact C-N 3.29Å; G175-M195 WeakPolarHBondContact O-CE 3.25Å
176	S	56.3	Low	57.3	Low	2 Å²	2	63.2 Å²	63.2	1%	0.014	35%	0.351	C	S	.	.	S	Bend	trans	-84	-7.1	168.1	48.1	0	0	0	0	112.8	D174 M195 E200 G201	D174-S176 PolarHBondContact O-N 2.8Å; D174-S176 PolarHBondContact OD1-OG 3.49Å; S176-M195 PolarHBondContact O-N 3.42Å; S176-E200 WeakPolarHBondContact CB-O 3.17Å; S176-E200 PolarHBondContact OG-O 3.23Å; S176-G201 WeakPolarHBondContact OG-CA 3.16Å
177	L	59.2	Low	56.8	Low	4 Å²	4	65.4 Å²	65.4	2%	0.021	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	145.8	176.2	-55.2	175	0	0	0	109.7	T172 G175 Y192 L193 V194 I203 V232	T172-L177 HydrophobicContact CG2-CB 3.68Å; T172-L177 HydrophobicContact CG2-CD1 4.39Å; G175-L177 VanDerWaalsContact C-N 3.29Å; L177-Y192 HydrophobicContact CD2-CD2 4.39Å; L177-L193 CarbonylContact C-O 3.53Å; L177-L193 VanDerWaalsContact CA-O 3.28Å; L177-L193 WeakPolarHBondContact CA-O 3.48Å; L177-V194 HydrophobicContact CD2-CB 4.27Å; L177-V194 HydrophobicContact CD2-CG1 4.29Å; L177-V194 HydrophobicContact CD2-CG2 3.88Å; L177-I203 HydrophobicContact CD1-CD1 4.07Å; L177-I203 HydrophobicContact CD1-CG1 3.47Å; L177-I203 VanDerWaalsContact CD1-CG1 3.47Å; L177-V232 HydrophobicContact CD1-CB 4.02Å; L177-V232 HydrophobicContact CD1-CG2 3.97Å; L177-V232 HydrophobicContact CD2-CB 4.13Å; L177-V232 HydrophobicContact CD2-CG1 3.99Å
178	L	56.4	Low	56.3	Low	59 Å²	59	59.9 Å²	59.9	31%	0.309	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	118.2	166.5	-95.9	171.2	0	0	0	108.5	Y192 L193 M195	L178-Y192 CarbonylContact O-C 3.46Å; L178-Y192 VanDerWaalsContact O-CA 3.25Å; L178-Y192 WeakPolarHBondContact O-CA 3.1Å; L178-L193 HydrophobicContact CB-CB 4.06Å; L178-L193 PolarHBondContact N-O 3.36Å; L178-L193 PolarHBondContact O-N 3.43Å; L178-M195 HydrophobicContact CB-CG 4.4Å; L178-M195 HydrophobicContact CB-SD 4.47Å; L178-M195 HydrophobicContact CD1-CE 4.47Å; L178-M195 HydrophobicContact CD1-CG 3.99Å; L178-M195 HydrophobicContact CD1-SD 3.41Å; L178-M195 WeakPolarHBondContact CD1-SD 3.26Å; L178-M195 HydrophobicContact CG-CE 3.99Å; L178-M195 HydrophobicContact CG-CG 4.1Å; L178-M195 HydrophobicContact CG-SD 3.56Å; L178-M195 VanDerWaalsContact CG-SD 3.56Å
179	I	60.2	Low	55.8	Low	38 Å²	38	61.6 Å²	61.6	20%	0.195	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	133.9	168.3	-66.2	165.1	0	0	0	108.6	V170 T172 R191	V170-I179 VanDerWaalsContact C-CD1 3.48Å; V170-I179 HydrophobicContact CB-CD1 3.93Å; V170-I179 HydrophobicContact CG1-CD1 3.55Å; V170-I179 HydrophobicContact CG1-CG1 4.43Å; V170-I179 VanDerWaalsContact O-CD1 3.24Å; V170-I179 WeakPolarHBondContact O-CD1 3.35Å; T172-I179 HydrophobicContact CG2-CD1 3.63Å; T172-I179 HydrophobicContact CG2-CG1 3.73Å; I179-R191 WeakPolarHBondContact CA-O 3.49Å
180	L	55	Low	55.6	Low	69 Å²	69	60.3 Å²	60.3	36%	0.361	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	111.9	167.8	-63.1	174.4	0	0	0	107.4	R191 L193	L180-R191 HydrophobicContact CB-CB 4.07Å; L180-R191 PolarHBondContact N-O 3.07Å; L180-R191 PolarHBondContact O-N 2.93Å; L180-L193 HydrophobicContact CD1-CD1 3.77Å; L180-L193 HydrophobicContact CD1-CG 4.1Å; L180-L193 HydrophobicContact CG-CD1 4.3Å
181	E	54.8	Low	55.2	Low	161 Å²	161	62.8 Å²	62.8	75%	0.752	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.9	147.6	167.3	-61.8	-177	153.3	0	0	109.3
182	S	52.3	Low	54.7	Low	28 Å²	28	60.6 Å²	60.6	20%	0.196	34%	0.335	C	S	.	.			trans	-90.1	128.7	-175.1	67.1	0	0	0	0	112.9	S184 T189	S182-S184 PolarHBondContact O-N 2.89Å; S182-T189 WeakPolarHBondContact CB-O 3.18Å; S182-T189 PolarHBondContact OG-O 3.07Å; S182-T189 PolarHBondContact OG-OG1 2.7Å; S182-T189 VanDerWaalsContact OG-OG1 3.06Å
183	D	45.7	Very low	53.9	Low	160 Å²	160	59.9 Å²	59.9	86%	0.856	33%	0.329	S	S	*	.	S	Bend	trans	-63.6	11.8	177.8	-63.4	-55.6	0	0	0	115.3
184	S	45.2	Very low	53.4	Low	74 Å²	74	57.6 Å²	57.6	52%	0.517	31%	0.312	S	S	.	.	S	Bend	trans	-130.6	45.4	-155.3	-64.2	0	0	0	0	114.9	S182 S186	S182-S184 PolarHBondContact O-N 2.89Å; S184-S186 PolarHBondContact O-N 3.43Å
185	F	42.8	Very low	52.7	Low	202 Å²	202	58.4 Å²	58.4	89%	0.886	32%	0.315	S	S	*	.	S	Bend	trans	58	-2.1	165	-76.1	-85.9	0	0	0	118.7	H163	H163-F185 PolarHBondContact CD2-O 2.68Å
186	S	47.4	Very low	52.3	Low	25 Å²	25	58.2 Å²	58.2	18%	0.175	30%	0.303	C	S	.	.			trans	-113.5	108.5	-178.4	179.5	0	0	0	0	110.6	H163 S184 A188 T189	H163-S186 PolarHBondContact CE1-OG 3Å; H163-S186 VanDerWaalsContact CE1-OG 3.26Å; S184-S186 PolarHBondContact O-N 3.43Å; S186-A188 PolarHBondContact O-N 2.74Å; S186-T189 PolarHBondContact O-N 3.21Å; S186-T189 PolarHBondContact O-OG1 3.21Å
187	S	49.1	Very low	52.2	Low	54 Å²	54	61.1 Å²	61.1	38%	0.378	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	0.4	179.7	-44	0	0	0	0	114.3	F190	S187-F190 WeakPolarHBondContact O-CE2 3.28Å; S187-F190 VanDerWaalsContact O-CZ 3.32Å; S187-F190 WeakPolarHBondContact O-CZ 3.2Å
188	A	50.5	Low	52	Low	2 Å²	2	64 Å²	64	2%	0.017	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-18.7	-175	0	0	0	0	0	114.8	L158 S159 F166 S186	L158-A188 HydrophobicContact CB-CB 4.02Å; L158-A188 HydrophobicContact CD2-CB 4.34Å; L158-A188 HydrophobicContact CG-CB 3.95Å; L158-A188 VanDerWaalsContact O-CB 3.31Å; L158-A188 WeakPolarHBondContact O-CB 3.3Å; S159-A188 VanDerWaalsContact CA-CB 3.46Å; S159-A188 VanDerWaalsContact N-CB 3.32Å; F166-A188 HydrophobicContact CZ-CB 4.04Å; S186-A188 PolarHBondContact O-N 2.74Å
189	T	51.7	Low	52	Low	55 Å²	55	68.5 Å²	68.5	34%	0.337	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	104	-177.9	45.7	0	0	0	0	111	S182 S186	S182-T189 WeakPolarHBondContact CB-O 3.18Å; S182-T189 PolarHBondContact OG-O 3.07Å; S182-T189 PolarHBondContact OG-OG1 2.7Å; S182-T189 VanDerWaalsContact OG-OG1 3.06Å; S186-T189 PolarHBondContact O-N 3.21Å; S186-T189 PolarHBondContact O-OG1 3.21Å
190	F	58	Low	52.1	Low	17 Å²	17	71.4 Å²	71.4	8%	0.075	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	147.2	169.4	-55.1	-91	0	0	0	109.1	L144 I146 A168 V170 S187	L144-F190 HydrophobicContact CB-CB 4.08Å; L144-F190 HydrophobicContact CD2-CB 4.24Å; L144-F190 HydrophobicContact CD2-CD2 4.45Å; L144-F190 PolarHBondContact N-O 3.41Å; I146-F190 HydrophobicContact CD1-CD2 3.85Å; I146-F190 HydrophobicContact CD1-CE2 3.76Å; A168-F190 HydrophobicContact CB-CE2 3.99Å; A168-F190 HydrophobicContact CB-CZ 3.77Å; A168-F190 WeakPolarHBondContact O-CZ 3.19Å; V170-F190 HydrophobicContact CB-CD1 4.12Å; V170-F190 HydrophobicContact CB-CE1 4.41Å; V170-F190 HydrophobicContact CB-CG 4.35Å; V170-F190 HydrophobicContact CG2-CB 4.33Å; V170-F190 HydrophobicContact CG2-CD1 3.56Å; V170-F190 HydrophobicContact CG2-CD2 3.61Å; V170-F190 HydrophobicContact CG2-CE1 3.68Å; V170-F190 HydrophobicContact CG2-CE2 3.74Å; V170-F190 HydrophobicContact CG2-CG 3.53Å; V170-F190 HydrophobicContact CG2-CZ 3.77Å; S187-F190 WeakPolarHBondContact O-CE2 3.28Å; S187-F190 VanDerWaalsContact O-CZ 3.32Å; S187-F190 WeakPolarHBondContact O-CZ 3.2Å
191	R	54.8	Low	52.4	Low	73 Å²	73	68.1 Å²	68.1	28%	0.275	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	152.8	169.3	-53.6	-175.3	-157.2	-170.6	4.8	109.4	E141 C142 F143 I179 L180	E141-R191 WeakPolarHBondContact OE1-CD 3.2Å; E141-R191 IonicContact OE1-CZ 2.65Å; E141-R191 IonicContact OE1-NE 2.68Å; E141-R191 IonicContact OE1-NH1 2.69Å; E141-R191 PolarHBondContact OE1-NH1 3.44Å; C142-R191 CarbonylContact O-C 3.25Å; C142-R191 WeakPolarHBondContact O-CA 3.22Å; F143-R191 HydrophobicContact CD1-CG 3.82Å; F143-R191 HydrophobicContact CE1-CG 3.82Å; I179-R191 WeakPolarHBondContact CA-O 3.49Å; L180-R191 HydrophobicContact CB-CB 4.07Å; L180-R191 PolarHBondContact N-O 3.07Å; L180-R191 PolarHBondContact O-N 2.93Å
192	Y	55.9	Low	52.6	Low	27 Å²	27	61.9 Å²	61.9	11%	0.106	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	139.5	172.5	67.9	-90.1	0	0	0	111.9	C142 L144 L177 L178 V194 I203 V232	C142-Y192 HydrophobicContact CB-CD1 3.7Å; C142-Y192 HydrophobicContact CB-CD2 3.75Å; C142-Y192 HydrophobicContact CB-CE1 3.36Å; C142-Y192 HydrophobicContact CB-CE2 3.41Å; C142-Y192 VanDerWaalsContact CB-CE2 3.41Å; C142-Y192 HydrophobicContact CB-CG 3.88Å; C142-Y192 WeakPolarHBondContact CB-O 2.99Å; C142-Y192 PolarHBondContact N-O 3.16Å; C142-Y192 PolarHBondContact O-N 3.15Å; C142-Y192 VanDerWaalsContact SG-CE2 3.5Å; L144-Y192 HydrophobicContact CB-CD1 4.31Å; L144-Y192 HydrophobicContact CB-CE1 4.43Å; L144-Y192 HydrophobicContact CD1-CD1 4.42Å; L144-Y192 HydrophobicContact CD1-CE1 4.05Å; L177-Y192 HydrophobicContact CD2-CD2 4.39Å; L178-Y192 CarbonylContact O-C 3.46Å; L178-Y192 VanDerWaalsContact O-CA 3.25Å; L178-Y192 WeakPolarHBondContact O-CA 3.1Å; Y192-V194 HydrophobicContact CE2-CG2 4.45Å; Y192-I203 HydrophobicContact CD1-CD1 3.62Å; Y192-I203 HydrophobicContact CD2-CD1 3.98Å; Y192-I203 HydrophobicContact CE1-CD1 3.77Å; Y192-I203 HydrophobicContact CE2-CD1 4.12Å; Y192-I203 HydrophobicContact CG-CD1 3.72Å; Y192-V232 HydrophobicContact CE2-CG1 3.96Å; Y192-V232 HydrophobicContact CE2-CG2 3.87Å
193	L	50.2	Low	53.3	Low	35 Å²	35	60.6 Å²	60.6	18%	0.183	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	134	173.1	-71.6	166.8	0	0	0	109.2	M140 E141 L177 L178 L180	M140-L193 WeakPolarHBondContact O-CA 3.32Å; E141-L193 HydrophobicContact CB-CD2 4.08Å; L177-L193 CarbonylContact C-O 3.53Å; L177-L193 VanDerWaalsContact CA-O 3.28Å; L177-L193 WeakPolarHBondContact CA-O 3.48Å; L178-L193 HydrophobicContact CB-CB 4.06Å; L178-L193 PolarHBondContact N-O 3.36Å; L178-L193 PolarHBondContact O-N 3.43Å; L180-L193 HydrophobicContact CD1-CD1 3.77Å; L180-L193 HydrophobicContact CD1-CG 4.1Å; L180-L193 HydrophobicContact CG-CD1 4.3Å
194	V	52.5	Low	54.3	Low	16 Å²	16	58.6 Å²	58.6	10%	0.097	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	124.3	167.4	-173	0	0	0	0	108.3	L177 Y192 V232 P234	L177-V194 HydrophobicContact CD2-CB 4.27Å; L177-V194 HydrophobicContact CD2-CG1 4.29Å; L177-V194 HydrophobicContact CD2-CG2 3.88Å; Y192-V194 HydrophobicContact CE2-CG2 4.45Å; V194-V232 HydrophobicContact CG2-CG1 4.1Å; V194-P234 HydrophobicContact CG1-CB 4.23Å
195	M	47.9	Very low	55.3	Low	79 Å²	79	55.1 Å²	55.1	39%	0.389	27%	0.265	S	S	.	.			trans	-98.1	-21.3	-176	-73	-158	-66.3	0	0	114.8	G175 S176 L178	G175-M195 WeakPolarHBondContact O-CE 3.25Å; S176-M195 PolarHBondContact O-N 3.42Å; L178-M195 HydrophobicContact CB-CG 4.4Å; L178-M195 HydrophobicContact CB-SD 4.47Å; L178-M195 HydrophobicContact CD1-CE 4.47Å; L178-M195 HydrophobicContact CD1-CG 3.99Å; L178-M195 HydrophobicContact CD1-SD 3.41Å; L178-M195 WeakPolarHBondContact CD1-SD 3.26Å; L178-M195 HydrophobicContact CG-CE 3.99Å; L178-M195 HydrophobicContact CG-CG 4.1Å; L178-M195 HydrophobicContact CG-SD 3.56Å; L178-M195 VanDerWaalsContact CG-SD 3.56Å
196	D	52.8	Low	56.4	Low	43 Å²	43	48.3 Å²	48.3	23%	0.23	24%	0.235	C	C	.	.			trans	-136.1	114.7	-171.6	-172.3	-33.6	0	0	0	109	S198 R199 P234	D196-S198 PolarHBondContact O-N 2.98Å; D196-S198 VanDerWaalsContact OD1-CA 3.26Å; D196-S198 WeakPolarHBondContact OD1-CA 3.08Å; D196-S198 WeakPolarHBondContact OD1-CB 3.13Å; D196-S198 PolarHBondContact OD1-N 2.71Å; D196-S198 PolarHBondContact OD1-OG 2.76Å; D196-R199 HydrophobicContact CB-CB 4.25Å; D196-R199 HydrophobicContact CB-CG 4.36Å; D196-R199 PolarHBondContact OD1-N 3.23Å; D196-R199 WeakPolarHBondContact OD2-CD 3.47Å; D196-R199 VanDerWaalsContact OD2-CG 3.3Å; D196-R199 WeakPolarHBondContact OD2-CG 3.29Å; D196-R199 IonicContact OD2-CZ 3.62Å; D196-R199 IonicContact OD2-NE 3.8Å; D196-R199 PolarHBondContact OD2-NE 3.03Å; D196-R199 IonicContact OD2-NH2 2.69Å; D196-P234 WeakPolarHBondContact O-CG 3.39Å
197	E	53.7	Low	57.2	Low	62 Å²	62	47.1 Å²	47.1	29%	0.29	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-5.3	177.2	-72.1	-159.8	-171.3	0	0	113.1	D137 Y138 P234 K236	D137-E197 WeakPolarHBondContact CA-OE1 3.12Å; Y138-E197 PolarHBondContact N-OE1 2.79Å; E197-P234 VanDerWaalsContact C-CG 3.49Å; E197-P234 WeakPolarHBondContact O-CB 3.36Å; E197-P234 WeakPolarHBondContact O-CG 3.48Å; E197-K236 VanDerWaalsContact O-CG 3.25Å; E197-K236 WeakPolarHBondContact O-CG 3.44Å
198	S	54.9	Low	57.8	Low	65 Å²	65	45.9 Å²	45.9	46%	0.455	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-18.4	-172.5	86.1	0	0	0	0	116.7	D196 K236	D196-S198 PolarHBondContact O-N 2.98Å; D196-S198 VanDerWaalsContact OD1-CA 3.26Å; D196-S198 WeakPolarHBondContact OD1-CA 3.08Å; D196-S198 WeakPolarHBondContact OD1-CB 3.13Å; D196-S198 PolarHBondContact OD1-N 2.71Å; D196-S198 PolarHBondContact OD1-OG 2.76Å; S198-K236 WeakPolarHBondContact O-CE 3.41Å; S198-K236 PolarHBondContact O-NZ 3.12Å
199	R	56.9	Low	58	Low	154 Å²	154	47 Å²	47	58%	0.581	23%	0.231	S	C	*	.	S	Bend	trans	-111.9	136	-174.9	-66.1	-179.4	-156.1	-138.9	-2.5	113	D196 P234	D196-R199 HydrophobicContact CB-CB 4.25Å; D196-R199 HydrophobicContact CB-CG 4.36Å; D196-R199 PolarHBondContact OD1-N 3.23Å; D196-R199 WeakPolarHBondContact OD2-CD 3.47Å; D196-R199 VanDerWaalsContact OD2-CG 3.3Å; D196-R199 WeakPolarHBondContact OD2-CG 3.29Å; D196-R199 IonicContact OD2-CZ 3.62Å; D196-R199 IonicContact OD2-NE 3.8Å; D196-R199 PolarHBondContact OD2-NE 3.03Å; D196-R199 IonicContact OD2-NH2 2.69Å; R199-P234 WeakPolarHBondContact O-CD 3.42Å; R199-P234 WeakPolarHBondContact O-CG 3.44Å
200	E	61.1	Low	57.9	Low	99 Å²	99	47.4 Å²	47.4	46%	0.463	24%	0.237	S	C	.	.			trans	-64.5	151.7	166.7	-45.9	-164.1	161.7	0	0	110.6	S176 I231 R233	S176-E200 WeakPolarHBondContact CB-O 3.17Å; S176-E200 PolarHBondContact OG-O 3.23Å; E200-I231 HydrophobicContact CB-CG2 4.3Å; E200-R233 HydrophobicContact CB-CG 4.37Å; E200-R233 HydrophobicContact CG-CG 4.05Å; E200-R233 WeakPolarHBondContact OE1-CD 3.38Å; E200-R233 IonicContact OE1-CZ 3.74Å; E200-R233 IonicContact OE1-NE 3.62Å; E200-R233 PolarHBondContact OE1-NE 3.29Å; E200-R233 IonicContact OE1-NH2 3.99Å; E200-R233 IonicContact OE2-CZ 2.81Å; E200-R233 VanDerWaalsContact OE2-CZ 3.28Å; E200-R233 IonicContact OE2-NE 3.28Å; E200-R233 PolarHBondContact OE2-NE 3.43Å; E200-R233 VanDerWaalsContact OE2-NE 3.12Å; E200-R233 IonicContact OE2-NH2 2.73Å; E200-R233 PolarHBondContact OE2-NH2 3.32Å
201	G	61.7	Low	57.4	Low	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	146.9	-180	0	0	0	0	0	111.8	D174 S176 I231 V232	D174-G201 WeakPolarHBondContact OD1-CA 3.29Å; D174-G201 VanDerWaalsContact OD2-C 3.26Å; D174-G201 VanDerWaalsContact OD2-CA 3.26Å; D174-G201 WeakPolarHBondContact OD2-CA 3.41Å; S176-G201 WeakPolarHBondContact OG-CA 3.16Å; G201-I231 CarbonylContact O-C 3.54Å; G201-I231 WeakPolarHBondContact O-CA 3.4Å; G201-V232 PolarHBondContact N-O 3.1Å; G201-V232 PolarHBondContact O-N 2.56Å
202	T	60.3	Low	56.7	Low	29 Å²	29	61.7 Å²	61.7	18%	0.178	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	99.1	-171.1	48.4	0	0	0	0	111.6	T172 S173 D174 I231	T172-T202 WeakPolarHBondContact CA-O 3.36Å; S173-T202 PolarHBondContact N-O 3.17Å; S173-T202 PolarHBondContact OG-OG1 2.75Å; D174-T202 VanDerWaalsContact CG-N 3.35Å; D174-T202 PolarHBondContact OD1-N 3.4Å; D174-T202 VanDerWaalsContact OD1-N 3.08Å; D174-T202 PolarHBondContact OD1-OG1 3.32Å; D174-T202 VanDerWaalsContact OD2-CB 3.28Å; D174-T202 WeakPolarHBondContact OD2-CB 3.15Å; D174-T202 VanDerWaalsContact OD2-CG2 3.32Å; D174-T202 WeakPolarHBondContact OD2-CG2 3.45Å; D174-T202 PolarHBondContact OD2-N 2.58Å; D174-T202 PolarHBondContact OD2-OG1 3.38Å; T202-I231 HydrophobicContact CG2-CG1 4.29Å; T202-I231 HydrophobicContact CG2-CG2 4.3Å
203	I	65.6	Low	55.4	Low	1 Å²	1	64.8 Å²	64.8	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	120.3	174.6	-59.5	-176	0	0	0	108.2	L144 V170 L177 Y192 V205 S229 V230 V232	L144-I203 HydrophobicContact CD1-CD1 4.3Å; L144-I203 HydrophobicContact CD1-CG2 4.49Å; L144-I203 HydrophobicContact CD2-CG2 4.09Å; V170-I203 HydrophobicContact CG1-CG2 3.37Å; L177-I203 HydrophobicContact CD1-CD1 4.07Å; L177-I203 HydrophobicContact CD1-CG1 3.47Å; L177-I203 VanDerWaalsContact CD1-CG1 3.47Å; Y192-I203 HydrophobicContact CD1-CD1 3.62Å; Y192-I203 HydrophobicContact CD2-CD1 3.98Å; Y192-I203 HydrophobicContact CE1-CD1 3.77Å; Y192-I203 HydrophobicContact CE2-CD1 4.12Å; Y192-I203 HydrophobicContact CG-CD1 3.72Å; I203-V205 HydrophobicContact CG2-CG2 4.17Å; I203-S229 CarbonylContact O-C 3.55Å; I203-S229 VanDerWaalsContact O-CA 3.24Å; I203-S229 WeakPolarHBondContact O-CA 2.99Å; I203-V230 PolarHBondContact N-O 3.34Å; I203-V230 PolarHBondContact O-N 3.19Å; I203-V232 HydrophobicContact CD1-CG2 3.59Å; I203-V232 HydrophobicContact CG1-CG2 3.93Å
204	R	67	Low	54.8	Low	118 Å²	118	71 Å²	71	45%	0.445	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	120.7	171	-61.6	178.4	-176.8	159.9	3.5	109	V170 E171 S173	V170-R204 CarbonylContact C-O 3.5Å; V170-R204 VanDerWaalsContact CA-O 3.29Å; V170-R204 WeakPolarHBondContact CA-O 3.42Å; E171-R204 HydrophobicContact CB-CB 4.34Å; E171-R204 PolarHBondContact N-O 3.46Å; E171-R204 PolarHBondContact O-N 3.32Å; S173-R204 VanDerWaalsContact CB-CZ 3.42Å; S173-R204 PolarHBondContact OG-NH2 3.32Å
205	V	67	Low	54.2	Low	1 Å²	1	77.5 Å²	77.5	1%	0.006	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	127.3	176.1	-176.4	0	0	0	0	108.6	L144 I146 S169 V170 I203 V207 R227 A228 M434	L144-V205 HydrophobicContact CD2-CG2 3.91Å; I146-V205 HydrophobicContact CD1-CG1 3.62Å; I146-V205 HydrophobicContact CD1-CG2 4.45Å; I146-V205 HydrophobicContact CG1-CG1 4.21Å; S169-V205 WeakPolarHBondContact O-CA 3.42Å; V170-V205 HydrophobicContact CG1-CG2 4.27Å; V170-V205 HydrophobicContact CG2-CG1 4.49Å; V170-V205 HydrophobicContact CG2-CG2 4.29Å; I203-V205 HydrophobicContact CG2-CG2 4.17Å; V205-V207 HydrophobicContact CG1-CG2 4.07Å; V205-R227 WeakPolarHBondContact O-CA 3.16Å; V205-A228 HydrophobicContact CB-CB 4.44Å; V205-A228 PolarHBondContact N-O 2.95Å; V205-A228 PolarHBondContact O-N 3.43Å; V205-M434 HydrophobicContact CG2-CE 4.26Å; V205-M434 HydrophobicContact CG2-SD 4.45Å
206	K	66.2	Low	53.5	Low	60 Å²	60	82.4 Å²	82.4	26%	0.261	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.2	169.6	-56.9	172.2	-173.6	161.3	0	107.3	A168 S169 E171 R227	A168-K206 CarbonylContact C-O 3.55Å; A168-K206 VanDerWaalsContact CA-O 3.32Å; A168-K206 WeakPolarHBondContact CA-O 3.03Å; S169-K206 PolarHBondContact N-O 3.03Å; S169-K206 PolarHBondContact O-N 2.72Å; E171-K206 VanDerWaalsContact OE1-CE 3.3Å; E171-K206 WeakPolarHBondContact OE1-CE 3.39Å; E171-K206 IonicContact OE1-NZ 2.64Å; E171-K206 PolarHBondContact OE1-NZ 2.99Å; E171-K206 VanDerWaalsContact OE2-CE 3.31Å; E171-K206 WeakPolarHBondContact OE2-CE 3.37Å; E171-K206 IonicContact OE2-NZ 2.73Å; E171-K206 PolarHBondContact OE2-NZ 3.5Å; K206-R227 HydrophobicContact CG-CG 4.28Å
207	V	63.6	Low	52.7	Low	0 Å²	0	84.1 Å²	84.1	0%	0	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	127.8	170.3	-173.9	0	0	0	0	107.2	I146 L158 F166 E167 V205 S224 L225 G226 I432	I146-V207 HydrophobicContact CG2-CG2 4.45Å; L158-V207 HydrophobicContact CD1-CG1 4.26Å; F166-V207 HydrophobicContact CB-CG1 4.16Å; E167-V207 CarbonylContact O-C 3.47Å; E167-V207 WeakPolarHBondContact O-CA 3.49Å; V205-V207 HydrophobicContact CG1-CG2 4.07Å; V207-S224 CarbonylContact O-C 3.55Å; V207-S224 VanDerWaalsContact O-CA 3.31Å; V207-S224 WeakPolarHBondContact O-CA 3.42Å; V207-L225 HydrophobicContact CB-CB 4.44Å; V207-L225 HydrophobicContact CG1-CB 4.12Å; V207-L225 HydrophobicContact CG1-CD2 4.4Å; V207-L225 WeakPolarHBondContact O-CA 3.46Å; V207-L225 PolarHBondContact O-N 2.82Å; V207-G226 PolarHBondContact N-O 3.22Å; V207-G226 PolarHBondContact O-N 2.73Å; V207-G226 VanDerWaalsContact O-O 3.13Å; V207-I432 HydrophobicContact CG2-CD1 4.26Å
208	A	60.7	Low	52	Low	27 Å²	27	86.8 Å²	86.8	22%	0.223	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	149.2	175.4	0	0	0	0	0	110.2	F166 E167	F166-A208 CarbonylContact C-O 3.43Å; F166-A208 WeakPolarHBondContact CA-O 3.47Å; E167-A208 HydrophobicContact CB-CB 4.38Å; E167-A208 PolarHBondContact N-O 2.91Å; E167-A208 PolarHBondContact O-N 3.38Å
209	G	54.7	Low	51.2	Low	25 Å²	25	89 Å²	89	26%	0.258	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	149.1	179.2	0	0	0	0	0	112.3	H211 N223	G209-H211 PolarHBondContact O-N 2.71Å; G209-N223 PolarHBondContact N-O 3.07Å
210	S	50.6	Low	50.2	Low	64 Å²	64	85.4 Å²	85.4	45%	0.448	47%	0.473	S	S	.	.			trans	-66.7	26	-178.9	62.3	0	0	0	0	117.2	T164 D165 R212	T164-S210 WeakPolarHBondContact O-CB 3.31Å; D165-S210 VanDerWaalsContact C-CB 3.44Å; D165-S210 VanDerWaalsContact CA-CB 3.47Å; D165-S210 WeakPolarHBondContact CA-OG 3.27Å; D165-S210 WeakPolarHBondContact O-CB 3.29Å; D165-S210 PolarHBondContact O-N 3.21Å; D165-S210 VanDerWaalsContact O-N 3.15Å; D165-S210 PolarHBondContact O-OG 3.24Å; S210-R212 PolarHBondContact O-N 2.69Å
211	H	47.4	Very low	49.2	Very low	173 Å²	173	89.2 Å²	89.2	80%	0.801	49%	0.49	S	S	*	.	S	Bend	trans	-79.3	48.1	-176.5	-149.8	-69.1	0	0	0	113.4	G209	G209-H211 PolarHBondContact O-N 2.71Å
212	R	40.5	Very low	48.4	Very low	218 Å²	218	95.1 Å²	95.1	82%	0.823	52%	0.518	S	S	*	.			trans	58.9	108.5	-177.7	-64.1	-179.4	175.2	-179.7	-2.7	114.5	S210	S210-R212 PolarHBondContact O-N 2.69Å
213	C	28.2	Very low	47.8	Very low	92 Å²	92	99.8 Å²	99.8	62%	0.622	54%	0.542	S	S	*	.	S	Bend	trans	-47.5	144.3	149.5	-36.1	0	0	0	0	108.7	E167	E167-C213 PolarHBondContact OE2-SG 3.4Å; E167-C213 VanDerWaalsContact OE2-SG 3.36Å
214	L	37.1	Very low	47.1	Very low	166 Å²	166	102 Å²	102	87%	0.869	56%	0.558	S	S	*	*			trans	72.9	78.2	-177.2	-48	160.2	0	0	0	115.4
215	L	39.3	Very low	46.5	Very low	151 Å²	151	100 Å²	100	79%	0.791	56%	0.555	S	S	*	*			trans	-167.4	75	142.1	-106.9	162.1	0	0	0	113.2	S217	L215-S217 PolarHBondContact O-N 3.09Å
216	E	33.3	Very low	45.9	Very low	182 Å²	182	100.7 Å²	100.7	85%	0.85	56%	0.562	S	S	*	*			trans	53.3	36.8	133.2	-151.6	163.9	-144.7	0	0	119.5	S218	E216-S218 PolarHBondContact O-N 3.18Å; E216-S218 VanDerWaalsContact O-N 3.1Å
217	S	36.8	Very low	45.5	Very low	80 Å²	80	103.6 Å²	103.6	56%	0.559	57%	0.572	S	S	*	*			trans	-80.7	83.4	167.8	58.7	0	0	0	0	111.4	L215 T219	L215-S217 PolarHBondContact O-N 3.09Å; S217-T219 PolarHBondContact O-N 2.91Å
218	S	38.8	Very low	45.1	Very low	117 Å²	117	104.8 Å²	104.8	82%	0.818	58%	0.581	S	S	*	*			trans	-70	28	-179.6	62.5	0	0	0	0	115	E216	E216-S218 PolarHBondContact O-N 3.18Å; E216-S218 VanDerWaalsContact O-N 3.1Å
219	T	39.2	Very low	44.8	Very low	111 Å²	111	107.8 Å²	107.8	68%	0.681	60%	0.601	S	S	*	*	S	Bend	trans	-143.9	63.1	-171.2	56.1	0	0	0	0	112.7	S217 E221	S217-T219 PolarHBondContact O-N 2.91Å; T219-E221 VanDerWaalsContact C-N 3.3Å; T219-E221 PolarHBondContact O-N 2.6Å
220	G	34.6	Very low	44.8	Very low	80 Å²	80	109.4 Å²	109.4	83%	0.825	61%	0.606	S	S	*	*	S	Bend	trans	68.8	-16.1	140.2	0	0	0	0	0	121.7
221	E	40.5	Very low	45.1	Very low	178 Å²	178	110.3 Å²	110.3	83%	0.832	61%	0.605	S	S	*	*			trans	-109.1	120.4	-179.5	-66	-172.3	131.1	0	0	110.8	T219	T219-E221 VanDerWaalsContact C-N 3.3Å; T219-E221 PolarHBondContact O-N 2.6Å
222	E	44.1	Very low	45.4	Very low	124 Å²	124	103 Å²	103	58%	0.579	57%	0.572	S	S	*	*			trans	-92	134.6	-168.1	-63.8	171.6	91.8	0	0	112.1	S224 R227	E222-S224 PolarHBondContact O-N 2.6Å; E222-R227 IonicContact OE1-CZ 3.73Å; E222-R227 IonicContact OE1-NH1 3.53Å; E222-R227 IonicContact OE1-NH2 2.7Å; E222-R227 PolarHBondContact OE1-NH2 2.83Å; E222-R227 IonicContact OE2-CZ 3.17Å; E222-R227 IonicContact OE2-NH1 3.99Å; E222-R227 PolarHBondContact OE2-NH1 3.32Å; E222-R227 IonicContact OE2-NH2 2.85Å; E222-R227 PolarHBondContact OE2-NH2 3.1Å
223	N	48.1	Very low	46	Very low	128 Å²	128	99.5 Å²	99.5	68%	0.684	56%	0.559	S	S	*	*			trans	-73.1	42.3	178.6	-67.8	-43.9	0	0	0	113.8	G209 L225	G209-N223 PolarHBondContact N-O 3.07Å; N223-L225 PolarHBondContact O-N 3.42Å
224	S	51.1	Low	47.1	Very low	48 Å²	48	96.4 Å²	96.4	34%	0.336	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	122.1	175	60.5	0	0	0	0	110.9	V207 E222 G226	V207-S224 CarbonylContact O-C 3.55Å; V207-S224 VanDerWaalsContact O-CA 3.31Å; V207-S224 WeakPolarHBondContact O-CA 3.42Å; E222-S224 PolarHBondContact O-N 2.6Å; S224-G226 PolarHBondContact O-N 2.73Å
225	L	54.7	Low	47.5	Very low	74 Å²	74	96.9 Å²	96.9	39%	0.387	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	-29.7	166	-140.2	76.3	0	0	0	111.4	L148 V207 N223	L148-L225 HydrophobicContact CD1-CD2 3.77Å; V207-L225 HydrophobicContact CB-CB 4.44Å; V207-L225 HydrophobicContact CG1-CB 4.12Å; V207-L225 HydrophobicContact CG1-CD2 4.4Å; V207-L225 WeakPolarHBondContact O-CA 3.46Å; V207-L225 PolarHBondContact O-N 2.82Å; N223-L225 PolarHBondContact O-N 3.42Å
226	G	54.3	Low	47.8	Very low	16 Å²	16	96.5 Å²	96.5	17%	0.165	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.9	163.1	170.2	0	0	0	0	0	113	V207 S224	V207-G226 PolarHBondContact N-O 3.22Å; V207-G226 PolarHBondContact O-N 2.73Å; V207-G226 VanDerWaalsContact O-O 3.13Å; S224-G226 PolarHBondContact O-N 2.73Å
227	R	56.9	Low	48	Very low	122 Å²	122	92.6 Å²	92.6	46%	0.46	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	127.5	173.7	-73.2	-174.9	153.4	161.9	-3.7	109.5	V205 K206 E222	V205-R227 WeakPolarHBondContact O-CA 3.16Å; K206-R227 HydrophobicContact CG-CG 4.28Å; E222-R227 IonicContact OE1-CZ 3.73Å; E222-R227 IonicContact OE1-NH1 3.53Å; E222-R227 IonicContact OE1-NH2 2.7Å; E222-R227 PolarHBondContact OE1-NH2 2.83Å; E222-R227 IonicContact OE2-CZ 3.17Å; E222-R227 IonicContact OE2-NH1 3.99Å; E222-R227 PolarHBondContact OE2-NH1 3.32Å; E222-R227 IonicContact OE2-NH2 2.85Å; E222-R227 PolarHBondContact OE2-NH2 3.1Å
228	A	55.4	Low	47.7	Very low	24 Å²	24	93 Å²	93	20%	0.198	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	155.1	176.1	0	0	0	0	0	110.1	V205	V205-A228 HydrophobicContact CB-CB 4.44Å; V205-A228 PolarHBondContact N-O 2.95Å; V205-A228 PolarHBondContact O-N 3.43Å
229	S	54.6	Low	47.4	Very low	91 Å²	91	91.5 Å²	91.5	64%	0.636	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.4	124.4	172.1	60.7	0	0	0	0	111.1	I203	I203-S229 CarbonylContact O-C 3.55Å; I203-S229 VanDerWaalsContact O-CA 3.24Å; I203-S229 WeakPolarHBondContact O-CA 2.99Å
230	V	55.2	Low	46.7	Very low	59 Å²	59	94 Å²	94	36%	0.358	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	130.3	-176	-179.5	0	0	0	0	109.1	I203 M434	I203-V230 PolarHBondContact N-O 3.34Å; I203-V230 PolarHBondContact O-N 3.19Å; V230-M434 HydrophobicContact CG2-SD 4.16Å
231	I	57.7	Low	46.5	Very low	83 Å²	83	96.2 Å²	96.2	43%	0.426	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	107.7	175.4	-46.8	-176.9	0	0	0	109	E200 G201 T202 R233	E200-I231 HydrophobicContact CB-CG2 4.3Å; G201-I231 CarbonylContact O-C 3.54Å; G201-I231 WeakPolarHBondContact O-CA 3.4Å; T202-I231 HydrophobicContact CG2-CG1 4.29Å; T202-I231 HydrophobicContact CG2-CG2 4.3Å; I231-R233 HydrophobicContact CG2-CG 4.25Å
232	V	54.2	Low	45.9	Very low	19 Å²	19	98.4 Å²	98.4	12%	0.115	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	120.7	172.8	-178.1	0	0	0	0	108.4	L177 Y192 V194 G201 I203	L177-V232 HydrophobicContact CD1-CB 4.02Å; L177-V232 HydrophobicContact CD1-CG2 3.97Å; L177-V232 HydrophobicContact CD2-CB 4.13Å; L177-V232 HydrophobicContact CD2-CG1 3.99Å; Y192-V232 HydrophobicContact CE2-CG1 3.96Å; Y192-V232 HydrophobicContact CE2-CG2 3.87Å; V194-V232 HydrophobicContact CG2-CG1 4.1Å; G201-V232 PolarHBondContact N-O 3.1Å; G201-V232 PolarHBondContact O-N 2.56Å; I203-V232 HydrophobicContact CD1-CG2 3.59Å; I203-V232 HydrophobicContact CG1-CG2 3.93Å
233	R	52.5	Low	45.1	Very low	144 Å²	144	96.9 Å²	96.9	54%	0.543	52%	0.515	S	S	.	.			trans	-110.3	125	176.8	-67.6	-175.9	164.5	86.8	15.9	110.4	E200 I231	E200-R233 HydrophobicContact CB-CG 4.37Å; E200-R233 HydrophobicContact CG-CG 4.05Å; E200-R233 WeakPolarHBondContact OE1-CD 3.38Å; E200-R233 IonicContact OE1-CZ 3.74Å; E200-R233 IonicContact OE1-NE 3.62Å; E200-R233 PolarHBondContact OE1-NE 3.29Å; E200-R233 IonicContact OE1-NH2 3.99Å; E200-R233 IonicContact OE2-CZ 2.81Å; E200-R233 VanDerWaalsContact OE2-CZ 3.28Å; E200-R233 IonicContact OE2-NE 3.28Å; E200-R233 PolarHBondContact OE2-NE 3.43Å; E200-R233 VanDerWaalsContact OE2-NE 3.12Å; E200-R233 IonicContact OE2-NH2 2.73Å; E200-R233 PolarHBondContact OE2-NH2 3.32Å; I231-R233 HydrophobicContact CG2-CG 4.25Å
234	P	49.9	Very low	44.4	Very low	28 Å²	28	98 Å²	98	18%	0.182	52%	0.521	C	S	.	.			trans	-70	140.1	173.6	30.5	-36.4	0	0	0	110.8	V194 D196 E197 R199 K236	V194-P234 HydrophobicContact CG1-CB 4.23Å; D196-P234 WeakPolarHBondContact O-CG 3.39Å; E197-P234 VanDerWaalsContact C-CG 3.49Å; E197-P234 WeakPolarHBondContact O-CB 3.36Å; E197-P234 WeakPolarHBondContact O-CG 3.48Å; R199-P234 WeakPolarHBondContact O-CD 3.42Å; R199-P234 WeakPolarHBondContact O-CG 3.44Å; P234-K236 PolarHBondContact O-N 3.01Å
235	Q	46.9	Very low	43.5	Very low	176 Å²	176	103.4 Å²	103.4	82%	0.822	55%	0.546	S	S	*	.			trans	-90.9	81.9	-175.8	-167.1	179.3	16.9	0	0	111.4	R237	Q235-R237 PolarHBondContact O-N 3.49Å; Q235-R237 VanDerWaalsContact O-N 3.07Å
236	K	44.8	Very low	42.6	Very low	142 Å²	142	104.8 Å²	104.8	62%	0.617	57%	0.568	S	S	*	*			trans	-43.3	112.8	179.4	-75.5	-179.9	177.7	170.5	0	113.2	E197 S198 P234	E197-K236 VanDerWaalsContact O-CG 3.25Å; E197-K236 WeakPolarHBondContact O-CG 3.44Å; S198-K236 WeakPolarHBondContact O-CE 3.41Å; S198-K236 PolarHBondContact O-NZ 3.12Å; P234-K236 PolarHBondContact O-N 3.01Å
237	R	38.5	Very low	41.8	Very low	101 Å²	101	112 Å²	112	38%	0.381	60%	0.603	S	S	.	*			trans	-67.4	130.7	169.2	-92.3	-106.2	-179.9	160.4	0.4	110.6	R133 F135 Q235	R133-R237 PolarHBondContact O-NH1 3.11Å; R133-R237 PolarHBondContact O-NH2 3.49Å; F135-R237 HydrophobicContact CB-CG 4.37Å; F135-R237 HydrophobicContact CD2-CG 4.24Å; F135-R237 VanDerWaalsContact CD2-NH2 3.28Å; Q235-R237 PolarHBondContact O-N 3.49Å; Q235-R237 VanDerWaalsContact O-N 3.07Å
238	S	30.1	Very low	40.8	Very low	89 Å²	89	111.2 Å²	111.2	62%	0.622	61%	0.608	S	S	*	*			trans	-128.9	90.9	179.7	-175.9	0	0	0	0	110.7	Y106	Y106-S238 WeakPolarHBondContact CE2-O 3.16Å; Y106-S238 PolarHBondContact OH-N 3.48Å; Y106-S238 VanDerWaalsContact OH-N 3.09Å; Y106-S238 PolarHBondContact OH-O 2.82Å; Y106-S238 VanDerWaalsContact OH-O 3.1Å
239	A	31.7	Very low	39.7	Very low	85 Å²	85	116.5 Å²	116.5	70%	0.702	64%	0.64	S	S	*	*			trans	-152.3	114.4	176.5	0	0	0	0	0	111.4
240	M	25.8	Very low	38.6	Very low	164 Å²	164	115.3 Å²	115.3	81%	0.808	63%	0.632	S	S	*	*			trans	-114.9	107.3	-177.9	179.5	-161.9	74.3	0	0	110.9
241	V	29.4	Very low	37.7	Very low	125 Å²	125	121.9 Å²	121.9	76%	0.758	66%	0.655	S	S	*	*			trans	-141.5	136.5	167.2	-174.1	0	0	0	0	109.4
242	R	27.8	Very low	36.4	Very low	224 Å²	224	130.1 Å²	130.1	85%	0.845	68%	0.681	S	S	*	*			trans	-79.2	145.7	-177.7	-58.4	-179.8	-175.9	93.8	3	111.9
243	A	28.6	Very low	35.4	Very low	92 Å²	92	136.9 Å²	136.9	76%	0.76	72%	0.715	S	S	*	*			trans	-116.5	137.7	158.4	0	0	0	0	0	108.8
244	N	32	Very low	34.4	Very low	151 Å²	151	135.7 Å²	135.7	81%	0.807	73%	0.729	S	S	*	*			trans	-155.4	157.4	168.2	-93.4	-6.4	0	0	0	107.2
245	D	33	Very low	33.8	Very low	162 Å²	162	139.4 Å²	139.4	87%	0.866	76%	0.756	S	S	*	*			trans	58.9	88.4	172.8	-59.1	-21.2	0	0	0	118.1
246	A	34.9	Very low	33.1	Very low	103 Å²	103	136.1 Å²	136.1	85%	0.851	75%	0.752	S	S	*	*			trans	-165.7	71.4	148.1	0	0	0	0	0	112.1
247	D	38.7	Very low	32.4	Very low	168 Å²	168	139 Å²	139	90%	0.898	77%	0.765	S	S	*	*			trans	-74.7	156.4	178.4	-94.1	-48.4	0	0	0	114.9
248	D	36.1	Very low	32.1	Very low	105 Å²	105	138.6 Å²	138.6	56%	0.561	78%	0.783	S	S	*	*			trans	-42.5	131.6	-173.2	172.9	44	0	0	0	118.5	S250	D248-S250 VanDerWaalsContact CG-N 3.35Å; D248-S250 PolarHBondContact O-N 2.84Å; D248-S250 VanDerWaalsContact OD1-CB 3.29Å; D248-S250 WeakPolarHBondContact OD1-CB 3.41Å; D248-S250 PolarHBondContact OD1-N 2.98Å; D248-S250 VanDerWaalsContact OD1-N 3.1Å; D248-S250 PolarHBondContact OD1-OG 3.45Å; D248-S250 VanDerWaalsContact OD2-CB 3.27Å; D248-S250 WeakPolarHBondContact OD2-CB 3.26Å; D248-S250 PolarHBondContact OD2-N 2.86Å; D248-S250 PolarHBondContact OD2-OG 3.28Å
249	P	30.8	Very low	32.1	Very low	135 Å²	135	137.3 Å²	137.3	88%	0.877	78%	0.784	S	S	*	*			trans	-91.3	41	170.1	38.4	-35.8	0	0	0	114.8
250	S	32.2	Very low	32.1	Very low	67 Å²	67	138.4 Å²	138.4	47%	0.469	78%	0.782	S	S	.	*			trans	-111.2	87	-179.6	88.1	0	0	0	0	115.3	D248	D248-S250 VanDerWaalsContact CG-N 3.35Å; D248-S250 PolarHBondContact O-N 2.84Å; D248-S250 VanDerWaalsContact OD1-CB 3.29Å; D248-S250 WeakPolarHBondContact OD1-CB 3.41Å; D248-S250 PolarHBondContact OD1-N 2.98Å; D248-S250 VanDerWaalsContact OD1-N 3.1Å; D248-S250 PolarHBondContact OD1-OG 3.45Å; D248-S250 VanDerWaalsContact OD2-CB 3.27Å; D248-S250 WeakPolarHBondContact OD2-CB 3.26Å; D248-S250 PolarHBondContact OD2-N 2.86Å; D248-S250 PolarHBondContact OD2-OG 3.28Å
251	K	35.1	Very low	32.4	Very low	196 Å²	196	140.8 Å²	140.8	85%	0.852	78%	0.783	S	S	*	*			trans	167.9	117	153	-91.9	141.7	-160.5	152.1	0	111.4
252	R	31.2	Very low	32.4	Very low	256 Å²	256	137.8 Å²	137.8	97%	0.966	78%	0.778	S	S	*	*			trans	-176.1	56	154.7	-109	172.8	-153.7	-120.3	6.3	115.5
253	I	34	Very low	32.6	Very low	162 Å²	162	135.5 Å²	135.5	83%	0.831	78%	0.781	S	S	*	*			trans	-136.6	138.1	160.6	-59.6	-177.2	0	0	0	108.9
254	S	31.9	Very low	32.7	Very low	118 Å²	118	136.6 Å²	136.6	83%	0.825	78%	0.784	S	S	*	*			trans	67.9	148.6	-173.8	84.4	0	0	0	0	114.3
255	S	36.5	Very low	32.8	Very low	107 Å²	107	132.2 Å²	132.2	75%	0.748	77%	0.774	S	S	*	*			cis	-144.7	151.8	-0.6	56.7	0	0	0	0	112.9
256	S	31.7	Very low	33.1	Very low	106 Å²	106	132.5 Å²	132.5	74%	0.741	77%	0.772	S	S	*	*			trans	-6.2	146.3	160.6	55.1	0	0	0	0	123.4
257	F	30.3	Very low	33.3	Very low	204 Å²	204	134 Å²	134	90%	0.895	76%	0.761	S	S	*	*				118.7	109.6	125.7	-136.7	-101.1	0	0	0	120
258	A	32.1	Very low	33.4	Very low	92 Å²	92	133.9 Å²	133.9	76%	0.76	75%	0.753	S	S	*	*			trans	59.2	154.4	147	0	0	0	0	0	123.7
259	G	31.4	Very low	33.4	Very low	62 Å²	62	138.8 Å²	138.8	64%	0.639	76%	0.763	S	S	*	*			trans	93.4	69.1	164.4	0	0	0	0	0	116
260	T	30.7	Very low	33.8	Very low	107 Å²	107	138.8 Å²	138.8	66%	0.656	76%	0.755	S	S	*	*				71.2	138	72.1	-28.8	0	0	0	0	115.6
261	Y	31.7	Very low	33.9	Very low	214 Å²	214	144 Å²	144	84%	0.839	77%	0.769	S	S	*	*			trans	50.5	118.4	165.5	34.8	-121.9	0	0	0	123.1
262	G	29.9	Very low	34.1	Very low	62 Å²	62	139.4 Å²	139.4	64%	0.639	77%	0.768	S	S	*	*				135	108.3	116.8	0	0	0	0	0	120.8
263	L	32.5	Very low	34.4	Very low	176 Å²	176	134.5 Å²	134.5	92%	0.921	76%	0.76	S	S	*	*			trans	60.9	170.4	149.5	-64.3	116.5	0	0	0	118.2
264	S	30.1	Very low	34.5	Very low	116 Å²	116	131.8 Å²	131.8	81%	0.811	76%	0.755	S	S	*	*			cis	-167	151.4	-38.8	-179	0	0	0	0	109.5
265	G	34.2	Very low	34.9	Very low	59 Å²	59	133.2 Å²	133.2	61%	0.608	75%	0.753	S	S	*	*			trans	143.7	110.7	173.6	0	0	0	0	0	112.5
266	M	40.1	Very low	35	Very low	167 Å²	167	133.9 Å²	133.9	82%	0.823	75%	0.748	S	S	*	*				72.6	126.8	74	-71.4	-175.1	79.6	0	0	112.9
267	H	38.8	Very low	35.4	Very low	134 Å²	134	134.8 Å²	134.8	62%	0.62	74%	0.74	S	S	*	*			cis	-171.3	161.4	4.3	-146.9	2.1	0	0	0	112.3
268	K	39.6	Very low	35.8	Very low	167 Å²	167	131.9 Å²	131.9	73%	0.726	73%	0.734	S	S	*	*			trans	71.1	150.1	157.1	-63.8	160.3	178.6	165.4	0	116.4
269	R	37.6	Very low	35.9	Very low	207 Å²	207	137.1 Å²	137.1	78%	0.781	73%	0.734	S	S	*	*			cis	-162.4	143.4	-3.9	-125.4	-165.8	174.1	175.7	-3	112
270	L	38.3	Very low	36.2	Very low	135 Å²	135	141.3 Å²	141.3	71%	0.707	74%	0.741	S	S	*	*			trans	53	153.6	144.6	-94.3	78.1	0	0	0	120.7
271	K	35.6	Very low	36.6	Very low	176 Å²	176	145.4 Å²	145.4	77%	0.765	75%	0.753	S	S	*	*			cis	-168.9	135.7	-21.8	-141.9	-174.9	-174	-173.9	0	109.6
272	A	38.7	Very low	36.8	Very low	100 Å²	100	139.9 Å²	139.9	83%	0.826	75%	0.746	S	S	*	*			trans	-162.3	139	153.9	0	0	0	0	0	109.3
273	I	36.1	Very low	37.1	Very low	154 Å²	154	142.3 Å²	142.3	79%	0.79	74%	0.744	S	S	*	*			trans	-150	132.5	-176.7	-59.9	176.6	0	0	0	108.9
274	S	36.8	Very low	37.4	Very low	104 Å²	104	142.3 Å²	142.3	73%	0.727	74%	0.737	S	S	*	*			trans	155.7	136.2	163.4	178	0	0	0	0	108.4
275	L	41.2	Very low	37.6	Very low	149 Å²	149	141.3 Å²	141.3	78%	0.78	73%	0.729	S	S	*	*			cis	-163.6	169.2	-12.8	-129.4	68.1	0	0	0	105.9
276	D	37.9	Very low	37.5	Very low	121 Å²	121	143.6 Å²	143.6	65%	0.647	74%	0.736	S	S	*	*			cis	-143.5	-102.8	-8.9	-165.9	3.4	0	0	0	111.2
277	Q	40.6	Very low	37.3	Very low	124 Å²	124	142.7 Å²	142.7	58%	0.579	73%	0.732	S	S	*	*			trans	-148.3	150.9	-164.5	-75.2	165	62.8	0	0	114.7
278	N	38.8	Very low	37.2	Very low	144 Å²	144	142.7 Å²	142.7	77%	0.77	74%	0.736	S	S	*	*				172.7	110.7	118.5	-85.6	-41.9	0	0	0	108.5
279	R	33.8	Very low	37	Very low	202 Å²	202	138.6 Å²	138.6	76%	0.762	73%	0.728	S	S	*	*				59.6	145.2	77.2	-79.8	-173.3	146.1	148.5	-7.6	114.6
280	L	36.5	Very low	37	Very low	150 Å²	150	135.2 Å²	135.2	79%	0.785	73%	0.726	S	S	*	*			cis	157.9	112.6	-25.4	-118.9	167.7	0	0	0	106.4
281	Q	39.3	Very low	36.9	Very low	192 Å²	192	134.1 Å²	134.1	90%	0.897	73%	0.725	S	S	*	*			trans	172.8	131.3	153.4	-97.2	156.6	3.9	0	0	106.7
282	S	35.5	Very low	37.1	Very low	99 Å²	99	134.1 Å²	134.1	69%	0.692	73%	0.727	S	S	*	*			cis	96.6	105.3	37.4	-165.4	0	0	0	0	112.2
283	D	37.9	Very low	36.9	Very low	112 Å²	112	134 Å²	134	60%	0.599	72%	0.72	S	S	*	*				171.4	141.9	116.6	-100.7	30.9	0	0	0	115.7
284	K	37.7	Very low	36.8	Very low	177 Å²	177	136 Å²	136	77%	0.77	73%	0.726	S	S	*	*			trans	62.5	164.7	146.3	-69.1	-174.5	-176.3	83.6	0	121
285	S	34	Very low	36.9	Very low	94 Å²	94	136.7 Å²	136.7	66%	0.657	73%	0.731	S	S	*	*			cis	177	156.6	-46.9	55.8	0	0	0	0	110.4
286	S	32.6	Very low	36.6	Very low	107 Å²	107	134.1 Å²	134.1	75%	0.748	73%	0.731	S	S	*	*			trans	69.2	157.2	167.4	-93.5	0	0	0	0	117.7
287	M	36.2	Very low	36.7	Very low	149 Å²	149	132.3 Å²	132.3	73%	0.734	73%	0.733	S	S	*	*			cis	-169.6	166.4	-28.2	-119.3	173.3	71.1	0	0	108.8
288	N	37	Very low	37	Very low	133 Å²	133	133.7 Å²	133.7	71%	0.711	74%	0.744	S	S	*	*			trans	66.2	168.8	164.2	-60.5	-0.3	0	0	0	118.6
289	S	35.5	Very low	37.1	Very low	81 Å²	81	138.3 Å²	138.3	57%	0.566	75%	0.753	S	S	*	*				-168.2	167.9	-55.2	60.6	0	0	0	0	109.6
290	D	36.9	Very low	37.8	Very low	136 Å²	136	132.2 Å²	132.2	73%	0.727	74%	0.741	S	S	*	*			trans	64.4	112.7	155.9	-51.9	-44.2	0	0	0	118.7
291	V	37.1	Very low	38.7	Very low	113 Å²	113	133.8 Å²	133.8	69%	0.685	74%	0.737	S	S	*	*				100.6	119.6	72.6	158.6	0	0	0	0	112.4
292	H	38.4	Very low	39.9	Very low	175 Å²	175	129.3 Å²	129.3	81%	0.81	72%	0.724	S	S	*	*			trans	160.3	105.9	147.7	-89.9	-70.3	0	0	0	106.2
293	S	34.4	Very low	41.4	Very low	98 Å²	98	129.1 Å²	129.1	69%	0.685	72%	0.72	S	S	*	*				65.3	99.2	67.1	-61.3	0	0	0	0	113.9
294	E	35.5	Very low	43.1	Very low	197 Å²	197	128.3 Å²	128.3	92%	0.921	71%	0.713	S	S	*	*				-173	162	127.8	-108.4	-173.8	118.8	0	0	115.1
295	S	38.8	Very low	45	Very low	118 Å²	118	124.1 Å²	124.1	83%	0.825	70%	0.698	S	S	*	*			trans	60.2	118.5	160	-149.4	0	0	0	0	122.2
296	A	33.5	Very low	47.2	Very low	94 Å²	94	124.1 Å²	124.1	78%	0.777	69%	0.694	S	S	*	*			trans	-69	154.6	178.2	0	0	0	0	0	116.7
297	A	41	Very low	49.7	Very low	83 Å²	83	123.3 Å²	123.3	69%	0.686	68%	0.679	S	S	*	*				-169.6	125.8	128.3	0	0	0	0	0	114	Y299	A297-Y299 PolarHBondContact O-N 2.97Å
298	N	46.6	Very low	52.2	Low	153 Å²	153	123.3 Å²	123.3	82%	0.818	67%	0.672	S	S	*	*			trans	36.3	76.6	145.2	-60.4	-19.1	0	0	0	120.1	S300	N298-S300 VanDerWaalsContact C-N 3.28Å; N298-S300 PolarHBondContact O-N 3.48Å
299	Y	40.7	Very low	54.6	Low	242 Å²	242	120.5 Å²	120.5	95%	0.949	66%	0.662	S	S	*	*			trans	-69.8	80.8	158	-92.2	-90.4	0	0	0	111.7	A297	A297-Y299 PolarHBondContact O-N 2.97Å
300	S	49	Very low	57.2	Low	74 Å²	74	122.1 Å²	122.1	52%	0.517	66%	0.662	S	S	.	*			trans	-95.1	144.9	161.2	52.2	0	0	0	0	109.6	N298	N298-S300 VanDerWaalsContact C-N 3.28Å; N298-S300 PolarHBondContact O-N 3.48Å
301	R	55.6	Low	59.8	Low	183 Å²	183	120.3 Å²	120.3	69%	0.691	65%	0.651	S	S	*	*			trans	-72.1	130.8	-160.2	-67.1	177.2	175.9	137.8	-2.7	111.6	P303 E304	R301-P303 VanDerWaalsContact C-CD 3.42Å; R301-E304 PolarHBondContact O-N 3.35Å
302	P	63.7	Low	62.4	Low	98 Å²	98	117.3 Å²	117.3	64%	0.636	64%	0.638	S	S	*	*	H	α-helix	trans	-55.8	-35.7	-173.7	17.1	-28.6	0	0	0	117	E304 V306	P302-E304 VanDerWaalsContact C-N 3.34Å; P302-E304 PolarHBondContact O-N 2.94Å; P302-V306 WeakPolarHBondContact O-CG2 3.32Å; P302-V306 PolarHBondContact O-N 2.72Å
303	P	66.7	Low	65.1	Low	94 Å²	94	113 Å²	113	61%	0.61	62%	0.624	S	S	*	*	H	α-helix	trans	-67.9	-28.7	-179.6	25.9	-35.6	0	0	0	114.1	R301 M307	R301-P303 VanDerWaalsContact C-CD 3.42Å; P303-M307 WeakPolarHBondContact O-CB 3.42Å; P303-M307 PolarHBondContact O-N 3.47Å
304	E	74.4	Confident	67.8	Low	95 Å²	95	112.3 Å²	112.3	44%	0.444	62%	0.619	S	S	.	*	H	α-helix	trans	-73.3	-42.9	-176.6	-68	177.9	111.1	0	0	111.4	R301 P302 V306 M307 Y308	R301-E304 PolarHBondContact O-N 3.35Å; P302-E304 VanDerWaalsContact C-N 3.34Å; P302-E304 PolarHBondContact O-N 2.94Å; E304-V306 VanDerWaalsContact C-N 3.32Å; E304-V306 PolarHBondContact O-N 2.96Å; E304-M307 WeakPolarHBondContact O-CB 3.32Å; E304-M307 PolarHBondContact O-N 3.18Å; E304-Y308 HydrophobicContact CB-CE2 4.34Å; E304-Y308 WeakPolarHBondContact O-CD2 3.39Å; E304-Y308 PolarHBondContact O-N 2.98Å
305	I	77.4	Confident	70.5	Confident	89 Å²	89	106 Å²	106	46%	0.456	60%	0.6	S	S	.	*	H	α-helix	trans	-59.9	-44.7	176.1	-60.6	172.8	0	0	0	110.5	M307 Y308 C309	I305-M307 VanDerWaalsContact C-N 3.34Å; I305-M307 PolarHBondContact O-N 3.3Å; I305-Y308 PolarHBondContact O-N 3.46Å; I305-C309 WeakPolarHBondContact O-CB 3.17Å; I305-C309 PolarHBondContact O-N 2.9Å; I305-C309 PolarHBondContact O-SG 3.48Å; I305-C309 VanDerWaalsContact O-SG 3.4Å
306	V	81.2	Confident	73.1	Confident	94 Å²	94	105.2 Å²	105.2	57%	0.57	59%	0.585	S	S	*	*	H	α-helix	trans	-62.8	-40.9	177.2	176.4	0	0	0	0	111.2	P302 E304 C309 M310	P302-V306 WeakPolarHBondContact O-CG2 3.32Å; P302-V306 PolarHBondContact O-N 2.72Å; E304-V306 VanDerWaalsContact C-N 3.32Å; E304-V306 PolarHBondContact O-N 2.96Å; V306-C309 PolarHBondContact O-N 3.3Å; V306-M310 HydrophobicContact CG1-CG 4.44Å; V306-M310 VanDerWaalsContact O-CG 3.31Å; V306-M310 WeakPolarHBondContact O-CG 3.31Å; V306-M310 PolarHBondContact O-N 2.93Å
307	M	84.5	Confident	75.9	Confident	91 Å²	91	105 Å²	105	45%	0.448	57%	0.574	S	S	.	*	H	α-helix	trans	-60.1	-49.1	174.9	-175.3	-170.8	70.6	0	0	111.8	P303 E304 I305 C309 M310 I311	P303-M307 WeakPolarHBondContact O-CB 3.42Å; P303-M307 PolarHBondContact O-N 3.47Å; E304-M307 WeakPolarHBondContact O-CB 3.32Å; E304-M307 PolarHBondContact O-N 3.18Å; I305-M307 VanDerWaalsContact C-N 3.34Å; I305-M307 PolarHBondContact O-N 3.3Å; M307-C309 PolarHBondContact O-N 3.39Å; M307-M310 PolarHBondContact O-N 3.02Å; M307-I311 HydrophobicContact CE-CD1 4.49Å; M307-I311 HydrophobicContact CG-CD1 3.86Å; M307-I311 WeakPolarHBondContact O-CG1 3.48Å; M307-I311 PolarHBondContact O-N 3.05Å; M307-I311 HydrophobicContact SD-CD1 4.45Å
308	Y	88.3	Confident	78.3	Confident	149 Å²	149	102.8 Å²	102.8	58%	0.584	56%	0.559	S	S	*	*	H	α-helix	trans	-63.5	-40.3	179	-70.6	-62	0	0	0	112.4	E304 I305 I311 A312	E304-Y308 HydrophobicContact CB-CE2 4.34Å; E304-Y308 WeakPolarHBondContact O-CD2 3.39Å; E304-Y308 PolarHBondContact O-N 2.98Å; I305-Y308 PolarHBondContact O-N 3.46Å; Y308-I311 PolarHBondContact O-N 2.92Å; Y308-A312 WeakPolarHBondContact O-CB 3.48Å; Y308-A312 PolarHBondContact O-N 3.39Å
309	C	88.5	Confident	80.5	Confident	74 Å²	74	97.8 Å²	97.8	50%	0.5	54%	0.54	S	S	.	.	H	α-helix	trans	-60.5	-45	173.2	-73.9	0	0	0	0	112.3	I305 V306 M307 A312 V313	I305-C309 WeakPolarHBondContact O-CB 3.17Å; I305-C309 PolarHBondContact O-N 2.9Å; I305-C309 PolarHBondContact O-SG 3.48Å; I305-C309 VanDerWaalsContact O-SG 3.4Å; V306-C309 PolarHBondContact O-N 3.3Å; M307-C309 PolarHBondContact O-N 3.39Å; C309-A312 PolarHBondContact O-N 2.88Å; C309-V313 WeakPolarHBondContact O-CG2 3.3Å; C309-V313 PolarHBondContact O-N 2.85Å
310	M	89.3	Confident	82.9	Confident	115 Å²	115	90.6 Å²	90.6	57%	0.567	52%	0.517	S	S	*	.	H	α-helix	trans	-65.8	-38.1	178	-71.2	-61.5	-66.7	0	0	112.5	V306 M307 C314	V306-M310 HydrophobicContact CG1-CG 4.44Å; V306-M310 VanDerWaalsContact O-CG 3.31Å; V306-M310 WeakPolarHBondContact O-CG 3.31Å; V306-M310 PolarHBondContact O-N 2.93Å; M307-M310 PolarHBondContact O-N 3.02Å; M310-C314 WeakPolarHBondContact O-CB 3.46Å; M310-C314 PolarHBondContact O-N 2.82Å; M310-C314 PolarHBondContact O-SG 2.8Å; M310-C314 VanDerWaalsContact O-SG 3.34Å
311	I	91.7	Very high	84.7	Confident	97 Å²	97	94 Å²	94	50%	0.497	52%	0.522	S	S	.	.	H	α-helix	trans	-64.3	-44.6	174	-68.7	167.2	0	0	0	110.6	M307 Y308 C314 A315	M307-I311 HydrophobicContact CE-CD1 4.49Å; M307-I311 HydrophobicContact CG-CD1 3.86Å; M307-I311 WeakPolarHBondContact O-CG1 3.48Å; M307-I311 PolarHBondContact O-N 3.05Å; M307-I311 HydrophobicContact SD-CD1 4.45Å; Y308-I311 PolarHBondContact O-N 2.92Å; I311-C314 PolarHBondContact O-N 2.88Å; I311-A315 WeakPolarHBondContact O-CB 3.29Å; I311-A315 PolarHBondContact O-N 3.21Å
312	A	92.4	Very high	86.3	Confident	50 Å²	50	88.4 Å²	88.4	41%	0.413	51%	0.511	S	S	.	.	H	α-helix	trans	-62.2	-44.9	178.2	0	0	0	0	0	112.3	Y308 C309 A315 I316	Y308-A312 WeakPolarHBondContact O-CB 3.48Å; Y308-A312 PolarHBondContact O-N 3.39Å; C309-A312 PolarHBondContact O-N 2.88Å; A312-A315 PolarHBondContact O-N 3.48Å; A312-I316 VanDerWaalsContact O-CG1 3.3Å; A312-I316 WeakPolarHBondContact O-CG1 3.3Å; A312-I316 PolarHBondContact O-N 3.23Å
313	V	94	Very high	87.4	Confident	84 Å²	84	88.8 Å²	88.8	51%	0.509	51%	0.507	S	S	.	.	H	α-helix	trans	-61.9	-45.3	175.9	171.1	0	0	0	0	111.2	C309 A315 I316 V317	C309-V313 WeakPolarHBondContact O-CG2 3.3Å; C309-V313 PolarHBondContact O-N 2.85Å; V313-A315 VanDerWaalsContact C-N 3.33Å; V313-A315 PolarHBondContact O-N 2.82Å; V313-I316 PolarHBondContact O-N 3.07Å; V313-V317 HydrophobicContact CG1-CG2 4.49Å; V313-V317 WeakPolarHBondContact O-CG2 3.38Å; V313-V317 PolarHBondContact O-N 2.9Å
314	C	91.1	Very high	88	Confident	85 Å²	85	88.4 Å²	88.4	57%	0.574	50%	0.5	S	S	*	.	H	α-helix	trans	-61	-39.6	175.5	-76	0	0	0	0	112.7	M310 I311 G318	M310-C314 WeakPolarHBondContact O-CB 3.46Å; M310-C314 PolarHBondContact O-N 2.82Å; M310-C314 PolarHBondContact O-SG 2.8Å; M310-C314 VanDerWaalsContact O-SG 3.34Å; I311-C314 PolarHBondContact O-N 2.88Å; C314-G318 PolarHBondContact O-N 3.25Å
315	A	92.8	Very high	88.3	Confident	63 Å²	63	87.1 Å²	87.1	52%	0.521	50%	0.501	S	S	.	.	H	α-helix	trans	-65.1	-42.7	176.1	0	0	0	0	0	112.1	I311 A312 V313 G318 A319	I311-A315 WeakPolarHBondContact O-CB 3.29Å; I311-A315 PolarHBondContact O-N 3.21Å; A312-A315 PolarHBondContact O-N 3.48Å; V313-A315 VanDerWaalsContact C-N 3.33Å; V313-A315 PolarHBondContact O-N 2.82Å; A315-G318 PolarHBondContact O-N 3.43Å; A315-A319 WeakPolarHBondContact O-CB 3.39Å; A315-A319 PolarHBondContact O-N 3.49Å
316	I	93.6	Very high	88.2	Confident	102 Å²	102	88.6 Å²	88.6	52%	0.523	51%	0.509	S	S	.	.	H	α-helix	trans	-63.1	-46.6	176.3	-69	163.7	0	0	0	110.9	A312 V313 G318 A319 I320	A312-I316 VanDerWaalsContact O-CG1 3.3Å; A312-I316 WeakPolarHBondContact O-CG1 3.3Å; A312-I316 PolarHBondContact O-N 3.23Å; V313-I316 PolarHBondContact O-N 3.07Å; I316-G318 PolarHBondContact O-N 3.12Å; I316-A319 PolarHBondContact O-N 3.27Å; I316-I320 HydrophobicContact CG2-CD1 3.75Å; I316-I320 HydrophobicContact CG2-CG1 4.49Å; I316-I320 VanDerWaalsContact O-CG1 3.29Å; I316-I320 WeakPolarHBondContact O-CG1 3.13Å; I316-I320 PolarHBondContact O-N 3.36Å
317	V	92.6	Very high	87.9	Confident	90 Å²	90	89 Å²	89	55%	0.545	51%	0.512	S	S	.	.	H	α-helix	trans	-63.3	-41.6	177.3	173.1	0	0	0	0	111.3	V313 I320 F321	V313-V317 HydrophobicContact CG1-CG2 4.49Å; V313-V317 WeakPolarHBondContact O-CG2 3.38Å; V313-V317 PolarHBondContact O-N 2.9Å; V317-I320 PolarHBondContact O-N 2.91Å; V317-F321 WeakPolarHBondContact O-CB 3.39Å; V317-F321 PolarHBondContact O-N 2.97Å
318	G	91.1	Very high	86.6	Confident	36 Å²	36	95.3 Å²	95.3	37%	0.371	53%	0.53	S	S	.	.	H	α-helix	trans	-62.8	-40	175.1	0	0	0	0	0	113.5	C314 A315 I316 S322	C314-G318 PolarHBondContact O-N 3.25Å; A315-G318 PolarHBondContact O-N 3.43Å; I316-G318 PolarHBondContact O-N 3.12Å; G318-S322 WeakPolarHBondContact O-CB 3.31Å; G318-S322 PolarHBondContact O-N 2.66Å; G318-S322 PolarHBondContact O-OG 3.39Å
319	A	92.2	Very high	84.8	Confident	49 Å²	49	92.4 Å²	92.4	41%	0.405	53%	0.532	S	S	.	.	H	α-helix	trans	-65.8	-44.8	174.2	0	0	0	0	0	111.8	A315 I316 F321 S322 L323	A315-A319 WeakPolarHBondContact O-CB 3.39Å; A315-A319 PolarHBondContact O-N 3.49Å; I316-A319 PolarHBondContact O-N 3.27Å; A319-F321 PolarHBondContact O-N 2.82Å; A319-S322 PolarHBondContact O-N 2.91Å; A319-L323 WeakPolarHBondContact O-CB 3.45Å; A319-L323 WeakPolarHBondContact O-CG 3.26Å; A319-L323 PolarHBondContact O-N 2.95Å
320	I	90.5	Very high	82.8	Confident	91 Å²	91	94.7 Å²	94.7	47%	0.467	54%	0.544	S	S	.	.	H	α-helix	trans	-62.1	-41.9	176.7	-69.4	166.7	0	0	0	111.1	I316 V317 N324	I316-I320 HydrophobicContact CG2-CD1 3.75Å; I316-I320 HydrophobicContact CG2-CG1 4.49Å; I316-I320 VanDerWaalsContact O-CG1 3.29Å; I316-I320 WeakPolarHBondContact O-CG1 3.13Å; I316-I320 PolarHBondContact O-N 3.36Å; V317-I320 PolarHBondContact O-N 2.91Å; I320-N324 WeakPolarHBondContact O-CB 3.44Å; I320-N324 PolarHBondContact O-N 2.96Å; I320-N324 PolarHBondContact O-ND2 2.92Å
321	F	87.7	Confident	80.8	Confident	144 Å²	144	92.3 Å²	92.3	63%	0.632	55%	0.549	S	S	*	.	H	α-helix	trans	-64.6	-45.5	175.9	-169.9	-94.9	0	0	0	111.4	V317 A319 L323 N324 C325	V317-F321 WeakPolarHBondContact O-CB 3.39Å; V317-F321 PolarHBondContact O-N 2.97Å; A319-F321 PolarHBondContact O-N 2.82Å; F321-L323 PolarHBondContact O-N 3.3Å; F321-N324 PolarHBondContact O-N 2.65Å; F321-C325 PolarHBondContact O-N 2.87Å; F321-C325 PolarHBondContact O-SG 3.32Å
322	S	89.4	Confident	78.2	Confident	66 Å²	66	93.4 Å²	93.4	46%	0.462	56%	0.563	S	S	.	*	H	α-helix	trans	-61.1	-42.8	177.5	-56.4	0	0	0	0	112.3	G318 A319 C325 L326	G318-S322 WeakPolarHBondContact O-CB 3.31Å; G318-S322 PolarHBondContact O-N 2.66Å; G318-S322 PolarHBondContact O-OG 3.39Å; A319-S322 PolarHBondContact O-N 2.91Å; S322-C325 PolarHBondContact O-N 2.96Å; S322-L326 PolarHBondContact O-N 2.92Å
323	L	85.9	Confident	75.7	Confident	106 Å²	106	100.2 Å²	100.2	56%	0.555	58%	0.583	S	S	*	*	H	α-helix	trans	-62.8	-42.4	173.8	-79.5	164	0	0	0	111.7	A319 F321 C325 L326 V327	A319-L323 WeakPolarHBondContact O-CB 3.45Å; A319-L323 WeakPolarHBondContact O-CG 3.26Å; A319-L323 PolarHBondContact O-N 2.95Å; F321-L323 PolarHBondContact O-N 3.3Å; L323-C325 PolarHBondContact O-N 3.27Å; L323-L326 PolarHBondContact O-N 2.91Å; L323-V327 WeakPolarHBondContact O-CB 3.33Å; L323-V327 VanDerWaalsContact O-CG2 3.3Å; L323-V327 WeakPolarHBondContact O-CG2 3.34Å; L323-V327 PolarHBondContact O-N 3.36Å
324	N	80.1	Confident	72.8	Confident	87 Å²	87	103.8 Å²	103.8	47%	0.465	60%	0.598	S	S	.	*	H	α-helix	trans	-64.1	-38.3	176	-86	-78.3	0	0	0	112.5	I320 F321 R328	I320-N324 WeakPolarHBondContact O-CB 3.44Å; I320-N324 PolarHBondContact O-N 2.96Å; I320-N324 PolarHBondContact O-ND2 2.92Å; F321-N324 PolarHBondContact O-N 2.65Å; N324-R328 WeakPolarHBondContact O-CB 3.44Å; N324-R328 PolarHBondContact O-N 3.43Å
325	C	80.1	Confident	70	Confident	67 Å²	67	103.9 Å²	103.9	45%	0.453	61%	0.605	S	S	.	*	H	α-helix	trans	-63.9	-44	172.5	-70.4	0	0	0	0	112.1	F321 S322 L323 R328 S329	F321-C325 PolarHBondContact O-N 2.87Å; F321-C325 PolarHBondContact O-SG 3.32Å; S322-C325 PolarHBondContact O-N 2.96Å; L323-C325 PolarHBondContact O-N 3.27Å; C325-R328 PolarHBondContact O-N 3.34Å; C325-S329 WeakPolarHBondContact O-CB 3.44Å; C325-S329 PolarHBondContact O-N 3.36Å; C325-S329 VanDerWaalsContact O-N 3.11Å
326	L	76	Confident	67.3	Low	120 Å²	120	107.3 Å²	107.3	63%	0.628	62%	0.619	S	S	*	*	H	α-helix	trans	-62.7	-45.7	175.5	-88.8	157.4	0	0	0	112.5	S322 L323 R328 S329	S322-L326 PolarHBondContact O-N 2.92Å; L323-L326 PolarHBondContact O-N 2.91Å; L326-R328 PolarHBondContact O-N 3.03Å; L326-S329 VanDerWaalsContact O-CB 3.29Å; L326-S329 WeakPolarHBondContact O-CB 3.49Å; L326-S329 PolarHBondContact O-N 2.57Å
327	V	74.4	Confident	64.4	Low	103 Å²	103	109.7 Å²	109.7	62%	0.624	63%	0.632	S	S	*	*	H	α-helix	trans	-69	-31.9	179.9	172.3	0	0	0	0	111.9	L323 S329 T330	L323-V327 WeakPolarHBondContact O-CB 3.33Å; L323-V327 VanDerWaalsContact O-CG2 3.3Å; L323-V327 WeakPolarHBondContact O-CG2 3.34Å; L323-V327 PolarHBondContact O-N 3.36Å; V327-S329 VanDerWaalsContact C-N 3.27Å; V327-S329 PolarHBondContact O-N 2.88Å; V327-T330 PolarHBondContact O-OG1 3.25Å
328	R	58.1	Low	61.7	Low	223 Å²	223	110.7 Å²	110.7	84%	0.842	64%	0.643	S	S	*	*	H	α-helix	trans	-76.9	-8.2	168.7	-97.8	-175.9	166.5	95.3	-2.7	114.4	N324 C325 L326	N324-R328 WeakPolarHBondContact O-CB 3.44Å; N324-R328 PolarHBondContact O-N 3.43Å; C325-R328 PolarHBondContact O-N 3.34Å; L326-R328 PolarHBondContact O-N 3.03Å
329	S	49.9	Very low	59	Low	89 Å²	89	114.3 Å²	114.3	62%	0.622	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-4.9	-179.6	-169.1	0	0	0	0	114	C325 L326 V327 G331	C325-S329 WeakPolarHBondContact O-CB 3.44Å; C325-S329 PolarHBondContact O-N 3.36Å; C325-S329 VanDerWaalsContact O-N 3.11Å; L326-S329 VanDerWaalsContact O-CB 3.29Å; L326-S329 WeakPolarHBondContact O-CB 3.49Å; L326-S329 PolarHBondContact O-N 2.57Å; V327-S329 VanDerWaalsContact C-N 3.27Å; V327-S329 PolarHBondContact O-N 2.88Å; S329-G331 PolarHBondContact O-N 2.9Å
330	T	45.3	Very low	56.5	Low	121 Å²	121	117 Å²	117	74%	0.742	68%	0.676	S	S	*	*			trans	-81.1	52.6	-177	61.1	0	0	0	0	113.2	V327	V327-T330 PolarHBondContact O-OG1 3.25Å
331	G	47.9	Very low	53.5	Low	66 Å²	66	118.6 Å²	118.6	68%	0.68	69%	0.694	S	S	*	*			trans	-108.2	102.6	167.6	0	0	0	0	0	110.2	S329	S329-G331 PolarHBondContact O-N 2.9Å
332	P	38.4	Very low	50.8	Low	120 Å²	120	121.1 Å²	121.1	78%	0.779	71%	0.705	S	S	*	*			trans	-84.2	121.7	-168.2	30.7	-34	0	0	0	113.2
333	K	38.2	Very low	48.1	Very low	192 Å²	192	129.2 Å²	129.2	84%	0.835	73%	0.725	S	S	*	*			trans	-166.4	112.8	135.1	-105.2	147.7	-171.2	177.2	0	114.5
334	L	33.2	Very low	45.7	Very low	159 Å²	159	130.3 Å²	130.3	83%	0.832	74%	0.736	S	S	*	*			trans	31.7	127.7	148.8	-69.1	87.3	0	0	0	121.2
335	A	33.7	Very low	43.7	Very low	87 Å²	87	131.7 Å²	131.7	72%	0.719	75%	0.748	S	S	*	*			trans	61.6	139.2	142.4	0	0	0	0	0	118.6
336	V	36.1	Very low	41.4	Very low	135 Å²	135	135.7 Å²	135.7	82%	0.818	77%	0.765	S	S	*	*			cis	-124.7	147.8	21.4	170.9	0	0	0	0	111.5
337	L	31.9	Very low	39.4	Very low	153 Å²	153	137.6 Å²	137.6	80%	0.801	78%	0.775	S	S	*	*			trans	-86	134.9	171	-67.9	85.5	0	0	0	111.2
338	S	35	Very low	37.5	Very low	110 Å²	110	138.1 Å²	138.1	77%	0.769	78%	0.778	S	S	*	*			trans	-156	63	150.4	54.1	0	0	0	0	113.5	S340	S338-S340 PolarHBondContact O-N 3.32Å
339	P	34.6	Very low	36.4	Very low	113 Å²	113	132.5 Å²	132.5	73%	0.734	77%	0.773	S	S	*	*			trans	-81.4	111.4	171.2	33	-31.2	0	0	0	111.3
340	S	40.3	Very low	35.7	Very low	106 Å²	106	135.2 Å²	135.2	74%	0.741	79%	0.786	S	S	*	*			trans	-139.7	97.6	168.6	55.9	0	0	0	0	109.3	S338	S338-S340 PolarHBondContact O-N 3.32Å
341	C	28.5	Very low	35	Very low	124 Å²	124	135 Å²	135	84%	0.838	79%	0.789	S	S	*	*				68.6	89.6	92.3	-76.8	0	0	0	0	114.2
342	F	29.9	Very low	34.2	Very low	196 Å²	196	136.3 Å²	136.3	86%	0.86	79%	0.794	S	S	*	*				-143.3	138.6	127.7	-142.4	-101.9	0	0	0	111.4	V344	F342-V344 HydrophobicContact CD1-CG2 3.95Å; F342-V344 HydrophobicContact CE1-CG2 4.02Å
343	R	32.1	Very low	33.8	Very low	236 Å²	236	137.5 Å²	137.5	89%	0.891	79%	0.793	S	S	*	*			trans	-103.4	126.9	171.9	-70.9	176.9	175.3	172.8	-2.6	108.2
344	V	35.8	Very low	33.5	Very low	129 Å²	129	136 Å²	136	78%	0.782	79%	0.787	S	S	*	*			trans	-134.9	142.5	151.4	-174.9	0	0	0	0	108	F342	F342-V344 HydrophobicContact CD1-CG2 3.95Å; F342-V344 HydrophobicContact CE1-CG2 4.02Å
345	T	39.1	Very low	33.2	Very low	116 Å²	116	131.8 Å²	131.8	71%	0.712	77%	0.771	S	S	*	*			trans	-93.2	151.9	-171.1	47.4	0	0	0	0	113.3
346	N	31.5	Very low	33.3	Very low	151 Å²	151	132.5 Å²	132.5	81%	0.807	76%	0.761	S	S	*	*			trans	37.3	98.4	150.7	-65.1	-7.2	0	0	0	118.2
347	L	34.1	Very low	33.1	Very low	161 Å²	161	133.9 Å²	133.9	84%	0.843	76%	0.757	S	S	*	*			trans	-155.6	119.5	143.6	-105.2	144	0	0	0	111.7
348	T	34.3	Very low	33	Very low	114 Å²	114	136.3 Å²	136.3	70%	0.699	76%	0.755	S	S	*	*			trans	31.9	123.1	150	53	0	0	0	0	122
349	S	35.3	Very low	32.6	Very low	105 Å²	105	136.4 Å²	136.4	73%	0.734	74%	0.739	S	S	*	*			trans	66.9	80.7	131.4	-52.4	0	0	0	0	119.7	S351	S349-S351 PolarHBondContact O-N 2.96Å
350	T	33.8	Very low	32.3	Very low	145 Å²	145	136 Å²	136	89%	0.89	73%	0.73	S	S	*	*			trans	22.9	88.2	140.6	56.2	0	0	0	0	117.7
351	S	30.8	Very low	31.7	Very low	116 Å²	116	137.8 Å²	137.8	81%	0.811	73%	0.727	S	S	*	*			trans	-72.5	162	158.7	51.5	0	0	0	0	111.8	S349	S349-S351 PolarHBondContact O-N 2.96Å
352	A	30.9	Very low	31.6	Very low	95 Å²	95	134 Å²	134	79%	0.785	70%	0.7	S	S	*	*			trans	-66.6	143.6	-173.1	0	0	0	0	0	114.1
353	L	30.8	Very low	31.4	Very low	145 Å²	145	127.8 Å²	127.8	76%	0.759	67%	0.674	S	S	*	*			trans	-142.8	125.3	159.6	-76.1	-175.8	0	0	0	111.6
354	F	31.6	Very low	31.3	Very low	161 Å²	161	117.5 Å²	117.5	71%	0.706	64%	0.638	S	S	*	*			trans	56	91	156.3	-52.3	-54.5	0	0	0	120.4	I356	F354-I356 HydrophobicContact CB-CD1 4.16Å; F354-I356 HydrophobicContact CB-CG1 3.97Å; F354-I356 HydrophobicContact CD1-CD1 4.14Å; F354-I356 HydrophobicContact CD1-CG1 4.33Å; F354-I356 HydrophobicContact CG-CD1 4.26Å; F354-I356 HydrophobicContact CG-CG1 4.47Å
355	S	27	Very low	30.9	Very low	70 Å²	70	113.4 Å²	113.4	49%	0.49	62%	0.618	S	S	.	*			trans	-77.8	137	130.6	53	0	0	0	0	109.9	R447	S355-R447 PolarHBondContact O-NH1 2.9Å; S355-R447 PolarHBondContact O-NH2 2.67Å; S355-R447 PolarHBondContact OG-NH2 3.2Å
356	I	35.6	Very low	30.3	Very low	101 Å²	101	109.8 Å²	109.8	52%	0.518	60%	0.603	S	S	.	*			trans	-157.9	140.3	169.4	-22.7	171	0	0	0	109.8	F354	F354-I356 HydrophobicContact CB-CD1 4.16Å; F354-I356 HydrophobicContact CB-CG1 3.97Å; F354-I356 HydrophobicContact CD1-CD1 4.14Å; F354-I356 HydrophobicContact CD1-CG1 4.33Å; F354-I356 HydrophobicContact CG-CD1 4.26Å; F354-I356 HydrophobicContact CG-CG1 4.47Å
357	F	31.7	Very low	30.2	Very low	165 Å²	165	109.3 Å²	109.3	72%	0.724	60%	0.596	S	S	*	*			trans	69.7	135.8	170.3	-50.3	-57.5	0	0	0	115.9
358	R	30.8	Very low	29.9	Very low	204 Å²	204	106 Å²	106	77%	0.77	58%	0.577	S	S	*	*			cis	-155.6	157.8	9	-110.1	150.6	-172.5	158.4	-1.4	111.1
359	R	26.3	Very low	29.6	Very low	111 Å²	111	104.3 Å²	104.3	42%	0.419	56%	0.56	S	S	.	*			trans	-120.1	161.7	153.7	-89.2	-174.1	159.7	-157.2	-16.4	108.7	V442 E444	R359-V442 PolarHBondContact NH1-O 3.14Å; R359-E444 IonicContact CZ-OE1 2.71Å; R359-E444 IonicContact CZ-OE2 3.34Å; R359-E444 IonicContact NE-OE2 2.65Å; R359-E444 IonicContact NH2-OE1 3.59Å; R359-E444 PolarHBondContact NH2-OE1 3.38Å; R359-E444 IonicContact NH2-OE2 2.67Å; R359-E444 PolarHBondContact NH2-OE2 3.22Å
360	D	27.7	Very low	29.2	Very low	104 Å²	104	104.3 Å²	104.3	56%	0.556	55%	0.551	S	S	*	*			trans	-138	161.4	172.3	-59.4	-85.8	0	0	0	110	K42	K42-D360 IonicContact NZ-OD1 2.6Å; K42-D360 IonicContact NZ-OD2 3.2Å; K42-D360 PolarHBondContact NZ-OD2 2.95Å
361	E	27.5	Very low	29	Very low	144 Å²	144	106 Å²	106	67%	0.673	54%	0.541	S	S	*	.			trans	-123.1	153.1	-156.4	156.6	-153.7	-149.1	0	0	112
362	V	26.9	Very low	28.8	Very low	45 Å²	45	104.8 Å²	104.8	27%	0.273	53%	0.528	S	S	.	.			trans	-151.6	156.8	156	-177.6	0	0	0	0	114	E38	E38-V362 VanDerWaalsContact C-CG1 3.41Å; E38-V362 HydrophobicContact CB-CG1 3.75Å; E38-V362 HydrophobicContact CG-CG1 4.4Å; E38-V362 WeakPolarHBondContact O-CB 3.37Å; E38-V362 WeakPolarHBondContact O-CG1 3.49Å
363	M	26.3	Very low	28.6	Very low	65 Å²	65	107.7 Å²	107.7	32%	0.32	52%	0.523	S	S	.	.			trans	-124.2	-173.2	-171.7	-63.8	-124	98.2	0	0	112.5	Q37 H437 V439	Q37-M363 WeakPolarHBondContact CA-O 3.05Å; M363-H437 HydrophobicContact CE-CB 3.9Å; M363-V439 HydrophobicContact CE-CG2 3.97Å; M363-V439 HydrophobicContact SD-CG2 4.42Å
364	P	29.2	Very low	28.4	Very low	21 Å²	21	103.5 Å²	103.5	14%	0.136	51%	0.509	C	S	.	.				-150.6	-157	-60.1	49.2	-31.8	0	0	0	115.7	R35 H437	R35-P364 WeakPolarHBondContact CB-O 3.43Å; R35-P364 WeakPolarHBondContact CD-O 3.45Å; R35-P364 WeakPolarHBondContact CG-O 3.32Å; P364-H437 HydrophobicContact CB-CB 4.33Å; P364-H437 WeakPolarHBondContact CB-CD2 3.37Å; P364-H437 VanDerWaalsContact CB-NE2 3.28Å; P364-H437 WeakPolarHBondContact CB-NE2 3.46Å; P364-H437 WeakPolarHBondContact CG-CD2 3.09Å; P364-H437 WeakPolarHBondContact CG-NE2 3.5Å
365	A	26.8	Very low	28.3	Very low	43 Å²	43	99.4 Å²	99.4	36%	0.355	50%	0.495	S	S	.	.			trans	-165.2	120.7	176.3	0	0	0	0	0	122.7	R35 H437	R35-A365 HydrophobicContact CB-CB 3.61Å; R35-A365 VanDerWaalsContact O-CB 3.29Å; R35-A365 WeakPolarHBondContact O-CB 3.4Å; A365-H437 PolarHBondContact N-CE1 2.99Å; A365-H437 PolarHBondContact N-NE2 2.79Å; A365-H437 PolarHBondContact O-CE1 2.98Å
366	G	28.2	Very low	28.3	Very low	39 Å²	39	105.8 Å²	105.8	40%	0.402	51%	0.508	S	S	.	.			trans	115	101.3	134.1	0	0	0	0	0	121.8	D436	G366-D436 VanDerWaalsContact C-CG 3.46Å; G366-D436 PolarHBondContact N-OD2 3.18Å; G366-D436 VanDerWaalsContact O-CG 3.26Å
367	E	28.8	Very low	28	Very low	141 Å²	141	110.7 Å²	110.7	66%	0.659	53%	0.526	S	S	*	.			trans	-88.1	147	-177.1	-56.5	170.5	175	0	0	115.5	F369 D436	E367-F369 HydrophobicContact CB-CE2 4.42Å; E367-D436 WeakPolarHBondContact CG-OD2 3.46Å; E367-D436 PolarHBondContact N-OD2 3.04Å
368	E	26.9	Very low	27.9	Very low	92 Å²	92	107.5 Å²	107.5	43%	0.43	52%	0.524	S	S	.	.			trans	-140.1	153.2	167.9	-69.4	-175.9	-177.9	0	0	112.3	F30 C32	F30-E368 WeakPolarHBondContact CB-OE1 3.48Å; F30-E368 HydrophobicContact CD1-CB 4.07Å; F30-E368 HydrophobicContact CD1-CG 3.96Å; F30-E368 VanDerWaalsContact CD1-OE2 3.31Å; F30-E368 WeakPolarHBondContact CD1-OE2 3.32Å; F30-E368 HydrophobicContact CE1-CB 4.34Å; C32-E368 PolarHBondContact SG-OE1 3.26Å
369	F	28.7	Very low	27.8	Very low	79 Å²	79	109.4 Å²	109.4	35%	0.346	53%	0.531	S	S	.	.			trans	-133	147.8	-174.2	-72.4	-87.9	0	0	0	113.3	E149 E367	E149-F369 WeakPolarHBondContact OE1-CE1 3.49Å; E367-F369 HydrophobicContact CB-CE2 4.42Å
370	I	27.7	Very low	27.9	Very low	105 Å²	105	109.9 Å²	109.9	54%	0.538	55%	0.549	S	S	.	.			trans	-134.8	129.9	175.3	-57.2	177.7	0	0	0	109.9	F30 S431	F30-I370 HydrophobicContact CE1-CG1 4.49Å; F30-I370 HydrophobicContact CZ-CG1 4.29Å; I370-S431 VanDerWaalsContact O-CB 3.28Å; I370-S431 WeakPolarHBondContact O-CB 3.47Å
371	W	28.2	Very low	28.1	Very low	181 Å²	181	112.4 Å²	112.4	69%	0.686	56%	0.562	S	S	*	*			trans	-102.2	140	178.6	-62.8	83.1	0	0	0	111.2
372	V	27.7	Very low	28.3	Very low	89 Å²	89	110.4 Å²	110.4	54%	0.539	57%	0.57	S	S	.	*			trans	-129.3	116.1	-178	-175.9	0	0	0	0	110.7	E429	V372-E429 VanDerWaalsContact O-CB 3.3Å; V372-E429 WeakPolarHBondContact O-CB 3.35Å; V372-E429 VanDerWaalsContact O-CD 3.28Å; V372-E429 WeakPolarHBondContact O-CG 3.3Å
373	K	26.1	Very low	28.6	Very low	156 Å²	156	117 Å²	117	68%	0.678	60%	0.597	S	S	*	*			trans	-70.7	126.8	-166.7	-168.9	-166.1	-173.9	-162.7	0	114.4	D375 E429	K373-D375 VanDerWaalsContact CE-OD2 3.26Å; K373-D375 WeakPolarHBondContact CE-OD2 3.49Å; K373-D375 IonicContact NZ-OD2 2.71Å; K373-D375 PolarHBondContact NZ-OD2 2.96Å; K373-D375 PolarHBondContact O-N 2.96Å; K373-E429 VanDerWaalsContact CA-OE1 3.32Å; K373-E429 WeakPolarHBondContact CA-OE1 3.19Å
374	A	27.1	Very low	28.9	Very low	57 Å²	57	118.5 Å²	118.5	47%	0.471	62%	0.615	S	S	.	*			trans	-78.3	102.1	169.7	0	0	0	0	0	113.1	E429	A374-E429 HydrophobicContact CB-CG 3.72Å; A374-E429 PolarHBondContact N-OE1 3.47Å
375	D	28.9	Very low	29.1	Very low	75 Å²	75	126 Å²	126	40%	0.401	65%	0.646	S	S	.	*			trans	-126.7	114.3	175	-127.8	-38.4	0	0	0	111.7	K373	K373-D375 VanDerWaalsContact CE-OD2 3.26Å; K373-D375 WeakPolarHBondContact CE-OD2 3.49Å; K373-D375 IonicContact NZ-OD2 2.71Å; K373-D375 PolarHBondContact NZ-OD2 2.96Å; K373-D375 PolarHBondContact O-N 2.96Å
376	R	26.8	Very low	29.5	Very low	204 Å²	204	130 Å²	130	77%	0.77	66%	0.661	S	S	*	*			trans	54.6	89.9	154.3	-57.2	166.1	-149.5	-151.7	1	120.1
377	F	30.4	Very low	30	Very low	205 Å²	205	135.6 Å²	135.6	90%	0.899	68%	0.677	S	S	*	*			trans	-131.7	69	145.4	-83.7	-74	0	0	0	113.3	R379	F377-R379 PolarHBondContact O-N 3.44Å
378	S	28.4	Very low	30.4	Very low	97 Å²	97	134.1 Å²	134.1	68%	0.678	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-64.2	119.2	154.8	52.3	0	0	0	0	109.1	P380	S378-P380 VanDerWaalsContact O-CD 3.26Å; S378-P380 WeakPolarHBondContact O-CD 3.12Å
379	R	28.7	Very low	30.8	Very low	244 Å²	244	137.5 Å²	137.5	92%	0.921	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-64.1	122.1	171.3	-80.5	-171	173.2	-170.6	-2	110.1	F377	F377-R379 PolarHBondContact O-N 3.44Å
380	P	29.6	Very low	31	Very low	121 Å²	121	137.6 Å²	137.6	79%	0.786	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-66.8	160.5	163.2	-13.6	30.3	0	0	0	110.1	S378	S378-P380 VanDerWaalsContact O-CD 3.26Å; S378-P380 WeakPolarHBondContact O-CD 3.12Å
381	N	31.2	Very low	31.3	Very low	158 Å²	158	144 Å²	144	85%	0.845	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-63.3	153.3	167.4	-80.5	-37.1	0	0	0	111	H383	N381-H383 PolarHBondContact O-N 3.32Å; N381-H383 VanDerWaalsContact O-N 3.15Å
382	A	31.2	Very low	31.8	Very low	101 Å²	101	140.9 Å²	140.9	84%	0.835	75%	0.745	S	S	*	*			trans	-65.9	112.9	-177.2	0	0	0	0	0	112.5
383	H	34.3	Very low	32.3	Very low	183 Å²	183	140.8 Å²	140.8	85%	0.847	75%	0.748	S	S	*	*			trans	-102.7	154.5	144.4	-67.6	-58.7	0	0	0	107	N381	N381-H383 PolarHBondContact O-N 3.32Å; N381-H383 VanDerWaalsContact O-N 3.15Å
384	S	32.4	Very low	32.9	Very low	98 Å²	98	139.4 Å²	139.4	69%	0.685	75%	0.748	S	S	*	*			cis	-156.7	-165.2	34.2	58.6	0	0	0	0	112.4
385	F	32.6	Very low	33.3	Very low	179 Å²	179	144.2 Å²	144.2	79%	0.785	77%	0.766	S	S	*	*			trans	63.6	95.6	173.6	-87.7	-97	0	0	0	117.6
386	N	35.3	Very low	33.6	Very low	126 Å²	126	144.7 Å²	144.7	67%	0.674	79%	0.789	S	S	*	*				-161.6	147.8	88.3	-105.5	-46.5	0	0	0	115.2
387	Q	38.7	Very low	33.8	Very low	157 Å²	157	139.1 Å²	139.1	73%	0.734	80%	0.795	S	S	*	*			trans	49.2	104	143.9	-69	174.4	25.3	0	0	121.5
388	T	37.3	Very low	33.9	Very low	110 Å²	110	133.4 Å²	133.4	68%	0.675	79%	0.794	S	S	*	*				49.3	126.6	122.9	59.9	0	0	0	0	122
389	N	35.3	Very low	34	Very low	163 Å²	163	133.7 Å²	133.7	87%	0.872	80%	0.802	S	S	*	*			trans	58.3	108.1	137	-55.1	-14.9	0	0	0	119.3
390	G	33.7	Very low	34.2	Very low	81 Å²	81	128.3 Å²	128.3	84%	0.835	80%	0.8	S	S	*	*			trans	176.5	111.2	162.3	0	0	0	0	0	114.9
391	R	34.1	Very low	34.3	Very low	239 Å²	239	127.2 Å²	127.2	90%	0.902	80%	0.795	S	S	*	*			trans	-66.7	150.7	171.3	-66.6	165.7	164.6	157.1	-7.8	112
392	S	37.3	Very low	34.6	Very low	116 Å²	116	125.5 Å²	125.5	81%	0.811	79%	0.791	S	S	*	*			trans	65.9	159.8	153.1	-60.3	0	0	0	0	117.2
393	S	38.3	Very low	34.9	Very low	87 Å²	87	126.9 Å²	126.9	61%	0.608	78%	0.784	S	S	*	*			cis	-162.7	173.9	-29	53	0	0	0	0	108.7
394	D	39.7	Very low	35.1	Very low	126 Å²	126	125.9 Å²	125.9	67%	0.674	78%	0.784	S	S	*	*			trans	67.7	123	157	-54.7	-56.7	0	0	0	121.6
395	N	35.2	Very low	35.3	Very low	159 Å²	159	124.1 Å²	124.1	85%	0.85	78%	0.782	S	S	*	*			trans	42.7	123.4	130.8	-56.4	-41.9	0	0	0	121.6
396	G	35.4	Very low	35.6	Very low	85 Å²	85	124.2 Å²	124.2	88%	0.876	79%	0.79	S	S	*	*			trans	172.1	120.5	155.4	0	0	0	0	0	113.3
397	G	31	Very low	35.3	Very low	87 Å²	87	123.3 Å²	123.3	90%	0.897	79%	0.794	S	S	*	*			trans	-120	159	173.8	0	0	0	0	0	112.1
398	G	32.7	Very low	35	Very low	85 Å²	85	122.2 Å²	122.2	88%	0.876	80%	0.802	S	S	*	*			trans	176.3	148.4	175.8	0	0	0	0	0	112.4
399	A	31.1	Very low	34.8	Very low	103 Å²	103	122 Å²	122	85%	0.851	81%	0.805	S	S	*	*			trans	-144.4	138	-177.5	0	0	0	0	0	112.6
400	C	31.1	Very low	34.7	Very low	130 Å²	130	123.9 Å²	123.9	88%	0.878	81%	0.808	S	S	*	*			trans	-156.7	140	164.7	-83.1	0	0	0	0	106.9
401	S	32.6	Very low	34.7	Very low	99 Å²	99	123.8 Å²	123.8	69%	0.692	80%	0.8	S	S	*	*			cis	108.6	114.1	6.3	-161.7	0	0	0	0	115.2
402	T	36.8	Very low	34.5	Very low	122 Å²	122	118.6 Å²	118.6	75%	0.748	80%	0.795	S	S	*	*			trans	66.9	162.1	171.9	74.2	0	0	0	0	116.1
403	N	37.9	Very low	34.5	Very low	130 Å²	130	120.1 Å²	120.1	70%	0.695	80%	0.799	S	S	*	*			cis	-164.3	169.2	22.1	-138.9	-26.4	0	0	0	113.2
404	L	38.8	Very low	34	Very low	161 Å²	161	124.4 Å²	124.4	84%	0.843	81%	0.81	S	S	*	*			trans	60.5	152.4	171.1	-80.7	69.1	0	0	0	118.5
405	G	35.8	Very low	33.5	Very low	62 Å²	62	129.8 Å²	129.8	64%	0.639	82%	0.82	S	S	*	*			cis	148.4	110.6	-14.6	0	0	0	0	0	115.4
406	N	38.6	Very low	33.4	Very low	181 Å²	181	130.7 Å²	130.7	97%	0.968	82%	0.817	S	S	*	*			trans	-177.8	158	144.4	-100.6	-20.2	0	0	0	112.5
407	S	30.7	Very low	33.2	Very low	106 Å²	106	134.8 Å²	134.8	74%	0.741	81%	0.813	S	S	*	*			trans	-137.9	138.1	-177.3	179.2	0	0	0	0	111.7
408	C	32.6	Very low	33.1	Very low	135 Å²	135	134.2 Å²	134.2	91%	0.912	81%	0.807	S	S	*	*			trans	-141.6	117.3	162.7	-85	0	0	0	0	109.6
409	S	31.6	Very low	32.9	Very low	105 Å²	105	142.1 Å²	142.1	73%	0.734	81%	0.81	S	S	*	*			trans	-104.3	133.7	177.4	53.2	0	0	0	0	111.3
410	H	34.1	Very low	32.6	Very low	202 Å²	202	149.5 Å²	149.5	94%	0.935	82%	0.816	S	S	*	*			trans	-139.9	150.7	160.4	-118.4	-91.5	0	0	0	110.8
411	A	33.4	Very low	32.4	Very low	80 Å²	80	147.7 Å²	147.7	66%	0.661	81%	0.81	S	S	*	*			trans	-108.9	144.1	-151.8	0	0	0	0	0	115.6
412	T	30.5	Very low	32	Very low	130 Å²	130	147.1 Å²	147.1	80%	0.798	82%	0.82	S	S	*	*			trans	35.7	101	142.4	58.8	0	0	0	0	119.8
413	T	35.7	Very low	31.5	Very low	147 Å²	147	144 Å²	144	90%	0.902	81%	0.812	S	S	*	*				-139.2	151.3	128	40.7	0	0	0	0	110
414	E	29.8	Very low	30.7	Very low	178 Å²	178	142.9 Å²	142.9	83%	0.832	82%	0.815	S	S	*	*			trans	-70.1	140.9	-166.6	-49.3	170.8	104.3	0	0	114.6
415	R	29	Very low	30.1	Very low	238 Å²	238	145.5 Å²	145.5	90%	0.898	82%	0.815	S	S	*	*				-172.4	114.7	105.1	-98.7	165.7	-173.7	-170.5	1.5	114.2
416	K	31.8	Very low	29.5	Very low	179 Å²	179	150 Å²	150	78%	0.778	82%	0.821	S	S	*	*			trans	19.6	124.3	151.7	-68.7	-174.1	176.7	-178.1	0	120.8
417	H	32.4	Very low	28.8	Very low	171 Å²	171	144.6 Å²	144.6	79%	0.792	81%	0.808	S	S	*	*			trans	39.1	125.7	140	-39.8	-61.6	0	0	0	119.5
418	G	28	Very low	28.6	Very low	75 Å²	75	142.8 Å²	142.8	77%	0.773	80%	0.795	S	S	*	*			cis	103.6	102.7	-1.6	0	0	0	0	0	114.9
419	R	28.9	Very low	28.3	Very low	251 Å²	251	138.9 Å²	138.9	95%	0.947	76%	0.764	S	S	*	*			trans	-152.3	118.7	148.6	-111.1	-179.6	-175.5	-161.4	-0.1	110
420	R	24.8	Very low	28	Very low	257 Å²	257	135.8 Å²	135.8	97%	0.97	74%	0.74	S	S	*	*			trans	-85.8	117.4	159.7	-77.6	-179.9	173.3	177.4	-3.1	107.8
421	A	27.1	Very low	27.7	Very low	92 Å²	92	126.5 Å²	126.5	76%	0.76	70%	0.698	S	S	*	*			trans	-156	137.8	155.1	0	0	0	0	0	105.7
422	G	23.6	Very low	27.4	Very low	87 Å²	87	124.5 Å²	124.5	90%	0.897	68%	0.676	S	S	*	*			cis	84.9	46.1	22	0	0	0	0	0	110.6
423	G	26	Very low	27.3	Very low	56 Å²	56	120.9 Å²	120.9	58%	0.577	65%	0.65	S	S	*	*			trans	-134.9	89.8	179.7	0	0	0	0	0	109.9	Y425	G423-Y425 PolarHBondContact O-N 2.96Å
424	S	22	Very low	26.9	Very low	107 Å²	107	115.4 Å²	115.4	75%	0.748	61%	0.614	S	S	*	*			trans	-75.4	109.2	171.6	50.9	0	0	0	0	109.7
425	Y	25.5	Very low	26.7	Very low	216 Å²	216	108.8 Å²	108.8	85%	0.847	59%	0.588	S	S	*	*			trans	-93	103.5	167	-77.3	-88.7	0	0	0	108.7	G423	G423-Y425 PolarHBondContact O-N 2.96Å
426	M	23.7	Very low	26.8	Very low	158 Å²	158	100.1 Å²	100.1	78%	0.778	56%	0.559	S	S	*	*			trans	-100.5	135.4	174.6	-60.7	-173.1	74.1	0	0	108.9
427	G	23.6	Very low	26.7	Very low	66 Å²	66	93.8 Å²	93.8	68%	0.68	53%	0.532	S	S	*	.			trans	79.6	84.1	175	0	0	0	0	0	112.9
428	S	26.1	Very low	26.4	Very low	69 Å²	69	87.1 Å²	87.1	48%	0.483	50%	0.504	S	S	.	.			trans	-140.6	135.6	164.7	-56.6	0	0	0	0	108.7	S151	S151-S428 WeakPolarHBondContact OG-CA 3.3Å; S151-S428 WeakPolarHBondContact OG-CB 3.46Å
429	E	26.2	Very low	26.5	Very low	52 Å²	52	87 Å²	87	24%	0.243	49%	0.488	C	S	.	.			trans	-81.1	165.4	178.9	-49.3	169.1	142.2	0	0	110.1	Y150 S151 V372 K373 A374	Y150-E429 CarbonylContact C-O 3.55Å; Y150-E429 VanDerWaalsContact CA-O 3.27Å; Y150-E429 WeakPolarHBondContact CA-O 3.43Å; S151-E429 VanDerWaalsContact CB-N 3.29Å; S151-E429 PolarHBondContact N-O 3.28Å; S151-E429 PolarHBondContact OG-N 2.85Å; V372-E429 VanDerWaalsContact O-CB 3.3Å; V372-E429 WeakPolarHBondContact O-CB 3.35Å; V372-E429 VanDerWaalsContact O-CD 3.28Å; V372-E429 WeakPolarHBondContact O-CG 3.3Å; K373-E429 VanDerWaalsContact CA-OE1 3.32Å; K373-E429 WeakPolarHBondContact CA-OE1 3.19Å; A374-E429 HydrophobicContact CB-CG 3.72Å; A374-E429 PolarHBondContact N-OE1 3.47Å
430	V	26.6	Very low	26.4	Very low	41 Å²	41	77.5 Å²	77.5	25%	0.248	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	123.8	172.1	-171.2	0	0	0	0	107.9	L148 E149 Y150	L148-V430 HydrophobicContact CB-CG1 4.23Å; L148-V430 HydrophobicContact CD1-CG1 4.29Å; E149-V430 CarbonylContact O-C 3.55Å; E149-V430 WeakPolarHBondContact O-CA 3.32Å; E149-V430 WeakPolarHBondContact O-CG1 3.47Å; Y150-V430 HydrophobicContact CD1-CG1 4.3Å; Y150-V430 HydrophobicContact CD1-CG2 3.94Å; Y150-V430 HydrophobicContact CE1-CG1 4.28Å; Y150-V430 HydrophobicContact CE1-CG2 4.2Å
431	S	26.7	Very low	26.5	Very low	7 Å²	7	71.8 Å²	71.8	5%	0.049	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	175.6	167.5	37.7	0	0	0	0	109.3	L148 E149 I370	L148-S431 WeakPolarHBondContact CA-O 3.24Å; E149-S431 WeakPolarHBondContact CB-OG 3.26Å; E149-S431 VanDerWaalsContact CD-OG 3.32Å; E149-S431 WeakPolarHBondContact CG-OG 3.28Å; E149-S431 PolarHBondContact N-O 2.89Å; E149-S431 CarbonylContact O-C 3.47Å; E149-S431 PolarHBondContact O-N 2.8Å; E149-S431 WeakPolarHBondContact OE2-CB 3.48Å; E149-S431 PolarHBondContact OE2-OG 3.38Å; I370-S431 VanDerWaalsContact O-CB 3.28Å; I370-S431 WeakPolarHBondContact O-CB 3.47Å
432	I	27.5	Very low	26.6	Very low	38 Å²	38	71.7 Å²	71.7	20%	0.195	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	110.7	-176.6	-60.9	-170.4	0	0	0	109.3	I146 V147 L148 V207 M434	I146-I432 HydrophobicContact CG2-CG2 3.89Å; V147-I432 CarbonylContact O-C 3.6Å; V147-I432 VanDerWaalsContact O-CA 3.23Å; V147-I432 WeakPolarHBondContact O-CA 3.17Å; V147-I432 VanDerWaalsContact O-CG2 3.26Å; V147-I432 WeakPolarHBondContact O-CG2 3.36Å; L148-I432 HydrophobicContact CD2-CD1 3.87Å; L148-I432 HydrophobicContact CD2-CG1 3.77Å; V207-I432 HydrophobicContact CG2-CD1 4.26Å; I432-M434 HydrophobicContact CG2-CG 4.14Å
433	H	28.3	Very low	26.8	Very low	53 Å²	53	72.5 Å²	72.5	25%	0.245	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	150	165.2	163.9	-79.1	0	0	0	108.5	V147	V147-H433 CarbonylContact C-O 3.5Å; V147-H433 WeakPolarHBondContact CA-O 3.33Å; V147-H433 HydrophobicContact CB-CB 3.86Å; V147-H433 VanDerWaalsContact CB-ND1 3.33Å; V147-H433 WeakPolarHBondContact CB-ND1 3.46Å; V147-H433 VanDerWaalsContact CB-O 3.3Å; V147-H433 WeakPolarHBondContact CB-O 3.17Å; V147-H433 HydrophobicContact CG1-CB 3.99Å; V147-H433 VanDerWaalsContact CG2-ND1 3.25Å; V147-H433 WeakPolarHBondContact CG2-ND1 3.39Å; V147-H433 PolarHBondContact N-O 3.32Å; V147-H433 CarbonylContact O-C 3.59Å; V147-H433 PolarHBondContact O-N 2.91Å
434	M	27.4	Very low	27.2	Very low	33 Å²	33	76.7 Å²	76.7	16%	0.163	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	133.8	167.2	-62.4	-167.6	60.1	0	0	105.6	L144 N145 I146 V205 V230 I432 D436	L144-M434 HydrophobicContact CD1-CE 3.48Å; L144-M434 VanDerWaalsContact CD1-CE 3.48Å; L144-M434 HydrophobicContact CD2-CE 4.03Å; L144-M434 HydrophobicContact CG-CE 3.56Å; N145-M434 VanDerWaalsContact O-CA 3.24Å; N145-M434 WeakPolarHBondContact O-CA 3.33Å; N145-M434 WeakPolarHBondContact O-CB 3.3Å; I146-M434 HydrophobicContact CB-CE 4.46Å; I146-M434 HydrophobicContact CG1-CE 3.58Å; I146-M434 HydrophobicContact CG1-SD 4.43Å; V205-M434 HydrophobicContact CG2-CE 4.26Å; V205-M434 HydrophobicContact CG2-SD 4.45Å; V230-M434 HydrophobicContact CG2-SD 4.16Å; I432-M434 HydrophobicContact CG2-CG 4.14Å; M434-D436 PolarHBondContact O-N 3.42Å
435	S	25.6	Very low	27.7	Very low	38 Å²	38	76.7 Å²	76.7	27%	0.266	41%	0.406	S	S	.	.			trans	-70.8	113.1	179.4	72.4	0	0	0	0	108.1	N145 H437	N145-S435 VanDerWaalsContact CB-OG 3.26Å; N145-S435 WeakPolarHBondContact CB-OG 3.25Å; N145-S435 WeakPolarHBondContact ND2-CB 2.73Å; N145-S435 PolarHBondContact ND2-OG 2.97Å; N145-S435 PolarHBondContact O-N 2.74Å; S435-H437 PolarHBondContact O-N 3.42Å
436	D	31.6	Very low	28	Very low	57 Å²	57	70.7 Å²	70.7	31%	0.305	41%	0.41	S	S	.	.	S	Bend	trans	-43	-17.8	177.2	-49.7	-11	0	0	0	114.7	G366 E367 M434 P438	G366-D436 VanDerWaalsContact C-CG 3.46Å; G366-D436 PolarHBondContact N-OD2 3.18Å; G366-D436 VanDerWaalsContact O-CG 3.26Å; E367-D436 WeakPolarHBondContact CG-OD2 3.46Å; E367-D436 PolarHBondContact N-OD2 3.04Å; M434-D436 PolarHBondContact O-N 3.42Å; D436-P438 WeakPolarHBondContact O-CD 3.49Å
437	H	29.1	Very low	28.2	Very low	45 Å²	45	69.3 Å²	69.3	21%	0.208	40%	0.397	C	S	.	.			trans	-126.1	89.2	-167.1	-50.4	-29	0	0	0	112	M363 P364 A365 S435 V439	M363-H437 HydrophobicContact CE-CB 3.9Å; P364-H437 HydrophobicContact CB-CB 4.33Å; P364-H437 WeakPolarHBondContact CB-CD2 3.37Å; P364-H437 VanDerWaalsContact CB-NE2 3.28Å; P364-H437 WeakPolarHBondContact CB-NE2 3.46Å; P364-H437 WeakPolarHBondContact CG-CD2 3.09Å; P364-H437 WeakPolarHBondContact CG-NE2 3.5Å; A365-H437 PolarHBondContact N-CE1 2.99Å; A365-H437 PolarHBondContact N-NE2 2.79Å; A365-H437 PolarHBondContact O-CE1 2.98Å; S435-H437 PolarHBondContact O-N 3.42Å; H437-V439 PolarHBondContact O-N 3.46Å
438	P	27	Very low	28.6	Very low	31 Å²	31	77.8 Å²	77.8	20%	0.201	41%	0.408	C	S	.	.			trans	-49.2	119.3	151.9	-23.1	33.5	0	0	0	109.8	C142 F143 D436 I440	C142-P438 HydrophobicContact CB-CB 4.06Å; C142-P438 HydrophobicContact CB-CG 4.21Å; F143-P438 VanDerWaalsContact O-CB 3.28Å; F143-P438 WeakPolarHBondContact O-CB 3.24Å; F143-P438 WeakPolarHBondContact O-CG 3.43Å; D436-P438 WeakPolarHBondContact O-CD 3.49Å; P438-I440 HydrophobicContact CB-CD1 4.39Å; P438-I440 HydrophobicContact CB-CG1 4.12Å; P438-I440 PolarHBondContact O-N 3.23Å
439	V	28.1	Very low	28.7	Very low	72 Å²	72	77.7 Å²	77.7	44%	0.436	41%	0.412	S	S	.	.			trans	-83.3	111.6	170.4	179.1	0	0	0	0	107.8	M363 H437 E441	M363-V439 HydrophobicContact CE-CG2 3.97Å; M363-V439 HydrophobicContact SD-CG2 4.42Å; H437-V439 PolarHBondContact O-N 3.46Å; V439-E441 HydrophobicContact CG1-CG 4.34Å
440	I	27.4	Very low	28.8	Very low	53 Å²	53	80.5 Å²	80.5	27%	0.272	44%	0.437	S	S	.	.			trans	-109.4	87.5	-173.2	-53.6	178.3	0	0	0	109	M140 E141 C142 P438 V442	M140-I440 HydrophobicContact CE-CD1 3.87Å; E141-I440 WeakPolarHBondContact O-CG1 3.45Å; E141-I440 WeakPolarHBondContact O-CG2 3.21Å; C142-I440 HydrophobicContact CB-CD1 4.24Å; C142-I440 VanDerWaalsContact SG-CD1 3.5Å; P438-I440 HydrophobicContact CB-CD1 4.39Å; P438-I440 HydrophobicContact CB-CG1 4.12Å; P438-I440 PolarHBondContact O-N 3.23Å; I440-V442 VanDerWaalsContact C-N 3.29Å; I440-V442 HydrophobicContact CG2-CG2 3.7Å; I440-V442 PolarHBondContact O-N 2.93Å
441	E	27.2	Very low	29	Very low	136 Å²	136	83.4 Å²	83.4	64%	0.636	46%	0.459	S	S	*	.			trans	-75.5	74.4	176.3	-69.4	-166	148.8	0	0	112.2	V439 H443	V439-E441 HydrophobicContact CG1-CG 4.34Å; E441-H443 PolarHBondContact O-N 3.24Å
442	V	28.2	Very low	29	Very low	91 Å²	91	94.1 Å²	94.1	55%	0.552	50%	0.498	S	S	*	.			trans	-67.4	109.4	170.7	-173.7	0	0	0	0	109.5	R359 I440	R359-V442 PolarHBondContact NH1-O 3.14Å; I440-V442 VanDerWaalsContact C-N 3.29Å; I440-V442 HydrophobicContact CG2-CG2 3.7Å; I440-V442 PolarHBondContact O-N 2.93Å
443	H	29.1	Very low	29	Very low	103 Å²	103	99.1 Å²	99.1	48%	0.477	53%	0.526	S	S	.	.			trans	-92.7	111	176	-109.8	-112.6	0	0	0	110.7	E441 D445 R447	E441-H443 PolarHBondContact O-N 3.24Å; H443-D445 VanDerWaalsContact C-N 3.33Å; H443-R447 PolarHBondContact ND1-O 2.84Å
444	E	34.2	Very low	29	Very low	145 Å²	145	103 Å²	103	68%	0.678	55%	0.546	S	S	*	.	S	Bend	trans	-75.9	-23.6	-179.2	-138.8	158.8	-115	0	0	112.4	R359	R359-E444 IonicContact CZ-OE1 2.71Å; R359-E444 IonicContact CZ-OE2 3.34Å; R359-E444 IonicContact NE-OE2 2.65Å; R359-E444 IonicContact NH2-OE1 3.59Å; R359-E444 PolarHBondContact NH2-OE1 3.38Å; R359-E444 IonicContact NH2-OE2 2.67Å; R359-E444 PolarHBondContact NH2-OE2 3.22Å
445	D	32	Very low	29.1	Very low	106 Å²	106	105.3 Å²	105.3	57%	0.567	57%	0.571	S	S	*	*	S	Bend	trans	-85.9	125.2	161.4	-75.8	-40.7	0	0	0	108.9	H443 R447	H443-D445 VanDerWaalsContact C-N 3.33Å; D445-R447 PolarHBondContact O-N 3.4Å
446	G	31.8	Very low	29.3	Very low	91 Å²	91	113.8 Å²	113.8	94%	0.938	60%	0.597	S	S	*	*	S	Bend	trans	-67	61.6	178.3	0	0	0	0	0	114.7
447	R	28.6	Very low	29.2	Very low	129 Å²	129	116.3 Å²	116.3	49%	0.487	62%	0.62	S	S	.	*			trans	-131.9	118.6	-179.7	-72.9	-172.9	170.9	178.7	6.8	109.4	S355 H443 D445 A449	S355-R447 PolarHBondContact O-NH1 2.9Å; S355-R447 PolarHBondContact O-NH2 2.67Å; S355-R447 PolarHBondContact OG-NH2 3.2Å; H443-R447 PolarHBondContact ND1-O 2.84Å; D445-R447 PolarHBondContact O-N 3.4Å; R447-A449 PolarHBondContact O-N 2.86Å
448	R	31.2	Very low	29.3	Very low	243 Å²	243	125.6 Å²	125.6	92%	0.917	65%	0.653	S	S	*	*			trans	-36	129.3	-178.7	-63.4	174.2	175.9	174.6	-4.5	112.9	S450	R448-S450 PolarHBondContact O-N 3.1Å
449	A	28.6	Very low	29.4	Very low	68 Å²	68	129.1 Å²	129.1	56%	0.562	68%	0.678	S	S	*	*			trans	-53.4	121.7	161.8	0	0	0	0	0	109	R447	R447-A449 PolarHBondContact O-N 2.86Å
450	S	29.4	Very low	29.4	Very low	111 Å²	111	137.3 Å²	137.3	78%	0.776	70%	0.701	S	S	*	*			trans	-100.8	111.4	174.8	59.8	0	0	0	0	108.5	R448	R448-S450 PolarHBondContact O-N 3.1Å
451	S	29.3	Very low	29.7	Very low	101 Å²	101	139.8 Å²	139.8	71%	0.706	72%	0.72	S	S	*	*			trans	-43.3	138.3	177.6	53.6	0	0	0	0	113.7	N453	S451-N453 PolarHBondContact O-N 3.34Å
452	W	27.4	Very low	29.7	Very low	233 Å²	233	142 Å²	142	88%	0.883	73%	0.73	S	S	*	*			trans	6.5	106.8	154.6	-65.9	88.6	0	0	0	116.2	I454	W452-I454 HydrophobicContact CE3-CD1 4.02Å; W452-I454 HydrophobicContact CE3-CG1 4.36Å; W452-I454 HydrophobicContact CZ3-CD1 4.31Å
453	N	27.7	Very low	29.7	Very low	143 Å²	143	141.9 Å²	141.9	77%	0.765	74%	0.74	S	S	*	*			trans	-123.5	74.6	173.9	-163.3	-12.4	0	0	0	111.2	S451 A455	S451-N453 PolarHBondContact O-N 3.34Å; N453-A455 PolarHBondContact O-N 3.1Å
454	I	27.6	Very low	29.6	Very low	133 Å²	133	145.1 Å²	145.1	68%	0.682	76%	0.759	S	S	*	*			trans	-76.9	65.8	173.3	-53.3	179.5	0	0	0	109.1	W452 R456	W452-I454 HydrophobicContact CE3-CD1 4.02Å; W452-I454 HydrophobicContact CE3-CG1 4.36Å; W452-I454 HydrophobicContact CZ3-CD1 4.31Å; I454-R456 PolarHBondContact O-N 3.25Å
455	A	29.6	Very low	29.5	Very low	83 Å²	83	144.3 Å²	144.3	69%	0.686	76%	0.764	S	S	*	*			trans	-69.9	101.5	177.2	0	0	0	0	0	110.6	N453	N453-A455 PolarHBondContact O-N 3.1Å
456	R	30.2	Very low	29.3	Very low	215 Å²	215	146 Å²	146	81%	0.811	77%	0.773	S	S	*	*			trans	-62.3	136.8	-170.5	-59.6	-178.6	-173.1	-170.8	1.4	114	I454	I454-R456 PolarHBondContact O-N 3.25Å
457	S	29.6	Very low	29	Very low	111 Å²	111	146.1 Å²	146.1	78%	0.776	76%	0.759	S	S	*	*			trans	14.5	129.3	141.9	-174	0	0	0	0	119.5	S459	S457-S459 PolarHBondContact O-N 3.23Å
458	R	30.1	Very low	29	Very low	240 Å²	240	146 Å²	146	91%	0.906	78%	0.779	S	S	*	*	S	Bend	trans	-76.7	109.4	160.4	-83	-170.4	173.6	-169	-1.1	111.6
459	S	30.2	Very low	28.9	Very low	104 Å²	104	139.4 Å²	139.4	73%	0.727	77%	0.77	S	S	*	*			trans	57	101.5	145.4	61.8	0	0	0	0	119.4	S457	S457-S459 PolarHBondContact O-N 3.23Å
460	R	28.8	Very low	29	Very low	245 Å²	245	144.9 Å²	144.9	93%	0.925	78%	0.783	S	S	*	*				-154.9	136	123.4	-103.7	168.4	-169.7	-157	1.4	109.1
461	P	31.9	Very low	29.2	Very low	104 Å²	104	150.9 Å²	150.9	68%	0.675	79%	0.789	S	S	*	*			trans	-93.8	170.4	-174.3	35.6	-34.9	0	0	0	114.5
462	H	28.4	Very low	29.4	Very low	182 Å²	182	153.1 Å²	153.1	84%	0.843	79%	0.793	S	S	*	*			trans	91.4	147.4	174	-51.8	-70.3	0	0	0	117.3
463	A	29	Very low	29.6	Very low	90 Å²	90	149.8 Å²	149.8	74%	0.744	79%	0.791	S	S	*	*			trans	61.2	99.5	-159.8	0	0	0	0	0	113.2
464	L	26.3	Very low	29.7	Very low	171 Å²	171	148.4 Å²	148.4	90%	0.895	79%	0.793	S	S	*	*				93.4	143.5	57.7	-81.2	171	0	0	0	113.1
465	V	31	Very low	29.9	Very low	127 Å²	127	149.8 Å²	149.8	77%	0.77	80%	0.796	S	S	*	*			trans	84.1	114.4	172.7	-167	0	0	0	0	117
466	D	28.1	Very low	29.8	Very low	142 Å²	142	155.8 Å²	155.8	76%	0.759	80%	0.802	S	S	*	*			trans	54.9	157	152.9	-65.5	-36.9	0	0	0	125
467	S	26.7	Very low	29.8	Very low	93 Å²	93	151.4 Å²	151.4	65%	0.65	80%	0.8	S	S	*	*			cis	-171.5	113	-43.4	-100.1	0	0	0	0	110
468	S	27	Very low	29.7	Very low	128 Å²	128	151 Å²	151	90%	0.895	80%	0.797	S	S	*	*			trans	62.9	151	174.9	-54.9	0	0	0	0	115.7
469	S	30.6	Very low	29.5	Very low	104 Å²	104	146.9 Å²	146.9	73%	0.727	79%	0.793	S	S	*	*			cis	-147.2	4.5	17.5	56.6	0	0	0	0	115.6	R471	S469-R471 PolarHBondContact O-N 3.4Å
470	E	30.6	Very low	29.6	Very low	182 Å²	182	147 Å²	147	85%	0.85	79%	0.792	S	S	*	*	S	Bend	trans	-63	21	-163	-55.4	-177.3	113.8	0	0	119.1
471	R	32.7	Very low	29.4	Very low	238 Å²	238	140.6 Å²	140.6	90%	0.898	78%	0.784	S	S	*	*	S	Bend	trans	-114.3	10.7	-165.7	-82	-165.6	173.8	-159.5	-0.8	118.2	S469	S469-R471 PolarHBondContact O-N 3.4Å
472	N	34.3	Very low	29.3	Very low	148 Å²	148	141.9 Å²	141.9	79%	0.791	79%	0.79	S	S	*	*	S	Bend	trans	-124.8	7.8	-168.6	-144.3	30.8	0	0	0	117.5
473	I	31.5	Very low	29.2	Very low	162 Å²	162	142.3 Å²	142.3	83%	0.831	79%	0.793	S	S	*	*	S	Bend	trans	-108.5	-15.2	-171.2	-63	177.9	0	0	0	113.6	Q475	I473-Q475 VanDerWaalsContact C-N 3.33Å; I473-Q475 PolarHBondContact O-N 2.85Å
474	S	29.5	Very low	29.2	Very low	115 Å²	115	146 Å²	146	80%	0.804	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	19.9	-171.8	54.8	0	0	0	0	116.4
475	Q	31.8	Very low	29.3	Very low	162 Å²	162	145.4 Å²	145.4	76%	0.757	79%	0.791	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.9	-9.6	-171.9	-70.3	-166	-24.5	0	0	117.1	I473	I473-Q475 VanDerWaalsContact C-N 3.33Å; I473-Q475 PolarHBondContact O-N 2.85Å
476	Y	28.5	Very low	29.2	Very low	208 Å²	208	150.6 Å²	150.6	82%	0.816	80%	0.797	S	S	*	*	S	Bend	trans	-138	132.2	179.3	-81.7	-108.6	0	0	0	110.4
477	T	29.8	Very low	29.2	Very low	123 Å²	123	148.9 Å²	148.9	76%	0.755	79%	0.788	S	S	*	*			cis	-150.4	152.8	-12.6	20.4	0	0	0	0	109.4
478	S	26.9	Very low	29.4	Very low	103 Å²	103	149.3 Å²	149.3	72%	0.72	79%	0.791	S	S	*	*			trans	-84.3	148.9	173.4	54.9	0	0	0	0	113.2
479	N	26.6	Very low	29.8	Very low	154 Å²	154	153.5 Å²	153.5	82%	0.824	79%	0.787	S	S	*	*			trans	68.8	155.4	171	-70	-10.8	0	0	0	117
480	P	31.9	Very low	30	Very low	107 Å²	107	153.3 Å²	153.3	70%	0.695	79%	0.786	S	S	*	*			cis	-133.2	-166.4	-28.9	38	-20	0	0	0	112.8
481	S	24.9	Very low	30.3	Very low	110 Å²	110	149.3 Å²	149.3	77%	0.769	77%	0.769	S	S	*	*			trans	-27.7	120.7	165.6	53.1	0	0	0	0	118.6
482	T	29.6	Very low	30.5	Very low	131 Å²	131	141.6 Å²	141.6	80%	0.804	76%	0.764	S	S	*	*			trans	-149.8	146.9	143.9	39.2	0	0	0	0	109.7	L484	T482-L484 PolarHBondContact O-N 3.23Å
483	E	25.7	Very low	30.9	Very low	191 Å²	191	138.3 Å²	138.3	89%	0.893	75%	0.746	S	S	*	*			trans	-75.4	115.4	178.4	-64.2	154.2	120.2	0	0	110.8	H485	E483-H485 PolarHBondContact O-N 2.85Å
484	L	28.7	Very low	32	Very low	167 Å²	167	135.4 Å²	135.4	87%	0.874	73%	0.732	S	S	*	*			trans	-92.5	90.4	167.8	-94	160.8	0	0	0	109.5	T482 W486	T482-L484 PolarHBondContact O-N 3.23Å; L484-W486 PolarHBondContact O-N 3.31Å
485	H	28.9	Very low	33	Very low	158 Å²	158	137.6 Å²	137.6	73%	0.731	73%	0.73	S	S	*	*			trans	-53.5	119.4	-178.1	-178.8	-65.5	0	0	0	112.7	E483 N487	E483-H485 PolarHBondContact O-N 2.85Å; H485-N487 PolarHBondContact O-N 2.94Å
486	W	28.3	Very low	34.7	Very low	237 Å²	237	134.2 Å²	134.2	90%	0.898	72%	0.72	S	S	*	*			trans	-57.5	107.9	170	-72.9	92.9	0	0	0	109.7	L484	L484-W486 PolarHBondContact O-N 3.31Å
487	N	29.2	Very low	36.3	Very low	105 Å²	105	129.2 Å²	129.2	56%	0.561	70%	0.704	S	S	*	*			trans	-95.2	120.9	-176.1	-154.5	-16.7	0	0	0	108.9	H485 R489	H485-N487 PolarHBondContact O-N 2.94Å; N487-R489 PolarHBondContact O-N 3.47Å
488	S	31	Very low	37.2	Very low	102 Å²	102	126.8 Å²	126.8	71%	0.713	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	25.4	-163.8	49.5	0	0	0	0	115.8
489	R	33.9	Very low	38.7	Very low	217 Å²	217	126.8 Å²	126.8	82%	0.819	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	-16.5	-178.2	-64.6	-175.6	175.3	-168.6	-2.8	114.1	N487 L491	N487-R489 PolarHBondContact O-N 3.47Å; R489-L491 PolarHBondContact O-N 3.46Å
490	S	35.5	Very low	40.6	Very low	99 Å²	99	124.1 Å²	124.1	69%	0.692	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-6.9	-177.9	52	0	0	0	0	115.2
491	L	36.1	Very low	41.7	Very low	98 Å²	98	124.1 Å²	124.1	51%	0.513	65%	0.65	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108.9	-0.5	-179.4	-77.7	167.9	0	0	0	114.3	R489 L493	R489-L491 PolarHBondContact O-N 3.46Å; L491-L493 PolarHBondContact O-N 3.25Å
492	G	37.4	Very low	43.4	Very low	76 Å²	76	122.9 Å²	122.9	78%	0.784	63%	0.634	S	S	*	*			trans	63.9	-2.9	179	0	0	0	0	0	116.5
493	L	42.7	Very low	44.9	Very low	80 Å²	80	119.8 Å²	119.8	42%	0.419	61%	0.612	S	S	.	*			trans	-100	137.2	-176	-69.8	164.1	0	0	0	111.2	L491 Q497	L491-L493 PolarHBondContact O-N 3.25Å; L493-Q497 HydrophobicContact CB-CB 4.45Å; L493-Q497 HydrophobicContact CD2-CB 4.09Å
494	N	55.9	Low	46.5	Very low	100 Å²	100	113.9 Å²	113.9	54%	0.535	59%	0.592	S	S	.	*			trans	-67.5	151.5	170.2	-171.1	2	0	0	0	110.4	V496 Q497 L498	N494-V496 PolarHBondContact O-N 2.78Å; N494-Q497 HydrophobicContact CB-CB 4.44Å; N494-Q497 HydrophobicContact CB-CG 4.15Å; N494-Q497 CarbonylContact O-C 3.59Å; N494-Q497 WeakPolarHBondContact O-CA 3.4Å; N494-Q497 WeakPolarHBondContact O-CB 3.35Å; N494-Q497 PolarHBondContact O-N 3.42Å; N494-L498 PolarHBondContact O-N 2.92Å
495	E	49.9	Very low	47.2	Very low	162 Å²	162	110.2 Å²	110.2	76%	0.757	57%	0.573	S	S	*	*	H	α-helix	trans	-55.5	-37.6	179.9	-170.1	168.9	-151.2	0	0	112.1	L498 Q499	E495-L498 PolarHBondContact O-N 2.9Å; E495-Q499 WeakPolarHBondContact O-CB 3.45Å; E495-Q499 PolarHBondContact O-N 2.94Å
496	V	67.9	Low	48	Very low	91 Å²	91	112.1 Å²	112.1	55%	0.552	57%	0.573	S	S	*	*	H	α-helix	trans	-67.2	-34.5	173.4	-176.8	0	0	0	0	112.5	N494 N500	N494-V496 PolarHBondContact O-N 2.78Å; V496-N500 WeakPolarHBondContact O-CB 3.42Å; V496-N500 PolarHBondContact O-N 2.8Å; V496-N500 PolarHBondContact O-ND2 3.13Å
497	Q	60.9	Low	49	Very low	102 Å²	102	108.2 Å²	108.2	48%	0.477	57%	0.565	S	S	.	*	H	α-helix	trans	-72	-40.1	175.5	-67.8	171.4	-52.9	0	0	110.9	L493 N494 N500 F501	L493-Q497 HydrophobicContact CB-CB 4.45Å; L493-Q497 HydrophobicContact CD2-CB 4.09Å; N494-Q497 HydrophobicContact CB-CB 4.44Å; N494-Q497 HydrophobicContact CB-CG 4.15Å; N494-Q497 CarbonylContact O-C 3.59Å; N494-Q497 WeakPolarHBondContact O-CA 3.4Å; N494-Q497 WeakPolarHBondContact O-CB 3.35Å; N494-Q497 PolarHBondContact O-N 3.42Å; Q497-N500 PolarHBondContact O-N 2.97Å; Q497-F501 WeakPolarHBondContact O-CB 3.42Å; Q497-F501 PolarHBondContact O-N 3.46Å
498	L	50	Low	49.6	Very low	72 Å²	72	108.5 Å²	108.5	38%	0.377	57%	0.571	S	S	.	*	H	α-helix	trans	-61.7	-45.9	174.4	-171.7	69.7	0	0	0	111.1	N494 E495 N500 F501 I502	N494-L498 PolarHBondContact O-N 2.92Å; E495-L498 PolarHBondContact O-N 2.9Å; L498-N500 PolarHBondContact O-N 3.28Å; L498-F501 PolarHBondContact O-N 2.76Å; L498-I502 HydrophobicContact CG-CD1 4.06Å; L498-I502 VanDerWaalsContact O-CG1 3.31Å; L498-I502 WeakPolarHBondContact O-CG1 3.27Å; L498-I502 PolarHBondContact O-N 2.69Å
499	Q	57.6	Low	50	Low	103 Å²	103	110.2 Å²	110.2	48%	0.481	57%	0.571	S	S	.	*	H	α-helix	trans	-63.1	-41.4	176.7	-170	62.7	66	0	0	112.1	E495 I502 N503	E495-Q499 WeakPolarHBondContact O-CB 3.45Å; E495-Q499 PolarHBondContact O-N 2.94Å; Q499-I502 PolarHBondContact O-N 2.86Å; Q499-N503 PolarHBondContact NE2-OD1 3.23Å; Q499-N503 WeakPolarHBondContact O-CB 3.48Å; Q499-N503 PolarHBondContact O-N 2.99Å; Q499-N503 PolarHBondContact O-ND2 3.41Å; Q499-N503 PolarHBondContact O-OD1 3.35Å
500	N	67.7	Low	50.2	Low	99 Å²	99	108.5 Å²	108.5	53%	0.529	59%	0.585	S	S	.	*	H	α-helix	trans	-68.2	-35.3	176.2	-73.5	-12.4	0	0	0	112.6	V496 Q497 L498 N503 S504	V496-N500 WeakPolarHBondContact O-CB 3.42Å; V496-N500 PolarHBondContact O-N 2.8Å; V496-N500 PolarHBondContact O-ND2 3.13Å; Q497-N500 PolarHBondContact O-N 2.97Å; L498-N500 PolarHBondContact O-N 3.28Å; N500-N503 PolarHBondContact O-N 3.48Å; N500-S504 VanDerWaalsContact O-CB 3.32Å; N500-S504 WeakPolarHBondContact O-CB 3.46Å; N500-S504 PolarHBondContact O-N 3.31Å
501	F	53.8	Low	50.9	Low	107 Å²	107	109 Å²	109	47%	0.469	58%	0.579	S	S	.	*	H	α-helix	trans	-65.8	-45.5	174.1	-176.1	-108	0	0	0	111.4	Q497 L498 N503 S504 L505	Q497-F501 WeakPolarHBondContact O-CB 3.42Å; Q497-F501 PolarHBondContact O-N 3.46Å; L498-F501 PolarHBondContact O-N 2.76Å; F501-N503 VanDerWaalsContact C-N 3.34Å; F501-N503 PolarHBondContact O-N 3.11Å; F501-S504 PolarHBondContact O-N 3.02Å; F501-L505 HydrophobicContact CD1-CD1 3.94Å; F501-L505 HydrophobicContact CE1-CD1 3.63Å; F501-L505 HydrophobicContact CE1-CG 4.5Å; F501-L505 HydrophobicContact CZ-CD1 4.07Å; F501-L505 WeakPolarHBondContact O-CG 3.32Å; F501-L505 PolarHBondContact O-N 3.31Å
502	I	61.2	Low	51.7	Low	84 Å²	84	109.6 Å²	109.6	43%	0.431	58%	0.583	S	S	.	*	H	α-helix	trans	-61.7	-41.2	174.5	-69.3	166.7	0	0	0	111.3	L498 Q499 R506	L498-I502 HydrophobicContact CG-CD1 4.06Å; L498-I502 VanDerWaalsContact O-CG1 3.31Å; L498-I502 WeakPolarHBondContact O-CG1 3.27Å; L498-I502 PolarHBondContact O-N 2.69Å; Q499-I502 PolarHBondContact O-N 2.86Å; I502-R506 WeakPolarHBondContact O-CB 3.39Å; I502-R506 PolarHBondContact O-N 2.84Å; I502-R506 VanDerWaalsContact O-N 3.08Å
503	N	59.9	Low	52.5	Low	66 Å²	66	111.4 Å²	111.4	35%	0.353	57%	0.572	S	S	.	*	H	α-helix	trans	-66	-43.1	176.7	-67.8	-7.5	0	0	0	111.7	Q499 N500 F501 L505 R506 E507	Q499-N503 PolarHBondContact NE2-OD1 3.23Å; Q499-N503 WeakPolarHBondContact O-CB 3.48Å; Q499-N503 PolarHBondContact O-N 2.99Å; Q499-N503 PolarHBondContact O-ND2 3.41Å; Q499-N503 PolarHBondContact O-OD1 3.35Å; N500-N503 PolarHBondContact O-N 3.48Å; F501-N503 VanDerWaalsContact C-N 3.34Å; F501-N503 PolarHBondContact O-N 3.11Å; N503-L505 PolarHBondContact O-N 3.42Å; N503-R506 WeakPolarHBondContact O-CA 3.19Å; N503-R506 WeakPolarHBondContact O-CB 3.5Å; N503-R506 PolarHBondContact O-N 2.96Å; N503-E507 PolarHBondContact O-N 2.99Å
504	S	59.6	Low	53.1	Low	66 Å²	66	113.3 Å²	113.3	46%	0.462	58%	0.581	S	S	.	*	H	α-helix	trans	-61.4	-42.9	176.5	-177.9	0	0	0	0	112.5	N500 F501 R506 E507 T508	N500-S504 VanDerWaalsContact O-CB 3.32Å; N500-S504 WeakPolarHBondContact O-CB 3.46Å; N500-S504 PolarHBondContact O-N 3.31Å; F501-S504 PolarHBondContact O-N 3.02Å; S504-R506 PolarHBondContact O-N 3.05Å; S504-E507 PolarHBondContact O-N 3.12Å; S504-T508 PolarHBondContact O-N 2.87Å; S504-T508 PolarHBondContact O-OG1 3.01Å
505	L	43.1	Very low	52.9	Low	91 Å²	91	114.1 Å²	114.1	48%	0.476	58%	0.583	S	S	.	*	H	α-helix	trans	-60.5	-35.2	171.7	-72.7	171.5	0	0	0	111.9	F501 N503 T508 I509	F501-L505 HydrophobicContact CD1-CD1 3.94Å; F501-L505 HydrophobicContact CE1-CD1 3.63Å; F501-L505 HydrophobicContact CE1-CG 4.5Å; F501-L505 HydrophobicContact CZ-CD1 4.07Å; F501-L505 WeakPolarHBondContact O-CG 3.32Å; F501-L505 PolarHBondContact O-N 3.31Å; N503-L505 PolarHBondContact O-N 3.42Å; L505-T508 PolarHBondContact O-N 3.17Å; L505-I509 WeakPolarHBondContact O-CD1 3.42Å; L505-I509 WeakPolarHBondContact O-CG1 3.4Å
506	R	46.3	Very low	53.1	Low	197 Å²	197	110.9 Å²	110.9	74%	0.743	57%	0.572	S	S	*	*	H	α-helix	trans	-73.6	-35.2	179.6	-154.7	176.9	-160.2	-137.9	2.6	113.4	I502 N503 S504 T508	I502-R506 WeakPolarHBondContact O-CB 3.39Å; I502-R506 PolarHBondContact O-N 2.84Å; I502-R506 VanDerWaalsContact O-N 3.08Å; N503-R506 WeakPolarHBondContact O-CA 3.19Å; N503-R506 WeakPolarHBondContact O-CB 3.5Å; N503-R506 PolarHBondContact O-N 2.96Å; S504-R506 PolarHBondContact O-N 3.05Å; R506-T508 VanDerWaalsContact C-N 3.26Å; R506-T508 PolarHBondContact O-N 2.8Å
507	E	48.4	Very low	52.1	Low	156 Å²	156	112.4 Å²	112.4	73%	0.729	57%	0.573	S	S	*	*	H	α-helix	trans	-75.5	-12.6	175.5	-70.4	179.5	171.1	0	0	113.2	N503 S504	N503-E507 PolarHBondContact O-N 2.99Å; S504-E507 PolarHBondContact O-N 3.12Å
508	T	43.3	Very low	51.4	Low	111 Å²	111	113.2 Å²	113.2	68%	0.681	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-3	176.9	-48.2	0	0	0	0	112.8	S504 L505 R506	S504-T508 PolarHBondContact O-N 2.87Å; S504-T508 PolarHBondContact O-OG1 3.01Å; L505-T508 PolarHBondContact O-N 3.17Å; R506-T508 VanDerWaalsContact C-N 3.26Å; R506-T508 PolarHBondContact O-N 2.8Å
509	I	39.5	Very low	51.5	Low	138 Å²	138	116.6 Å²	116.6	71%	0.708	60%	0.598	S	S	*	*			trans	-121.3	27.8	-171.8	-55.3	171.8	0	0	0	111.2	L505	L505-I509 WeakPolarHBondContact O-CD1 3.42Å; L505-I509 WeakPolarHBondContact O-CG1 3.4Å
510	T	37.5	Very low	51	Low	181 Å²	181	117.8 Å²	117.8	100%	1.11	61%	0.608	S	S	*	*			trans	-133.3	0	172	57.9	0	0	0	0	111.7

Retrieved 510 of 510 residues in 147.5 ms (Link to these results)

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