A0A096MTD2_PAPAN Loading...

Tumor necrosis factor-inducible gene 6 protein

AlphaFold DB , UniProt , Accession A0A096MTD2, Species PAPAN (Papio anubis, Olive baboon), Gene TNFAIP6, Length 277 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	53.9	Low	44.3	Very low	220 Å²	220	157.5 Å²	157.5	100%	1.084	78%	0.779	S	S	*	*				0	51.5	0	-156.9	174	81.7	0	0	110.3
2	I	50.2	Low	43.9	Very low	133 Å²	133	163.2 Å²	163.2	68%	0.682	79%	0.786	S	S	*	*			trans	-130.9	-4	-171.6	-69.3	174.7	0	0	0	111
3	I	45.6	Very low	43.3	Very low	151 Å²	151	165.3 Å²	165.3	77%	0.774	79%	0.794	S	S	*	*	S	Bend	trans	-93	-16	-178.4	-63.7	174.7	0	0	0	112.5
4	L	41.6	Very low	42.9	Very low	159 Å²	159	166.4 Å²	166.4	83%	0.832	80%	0.797	S	S	*	*	S	Bend	trans	-89	-1.9	178.5	-85.8	155.5	0	0	0	114.3
5	I	49.1	Very low	42.5	Very low	112 Å²	112	160.9 Å²	160.9	57%	0.574	79%	0.79	S	S	*	*	S	Bend	trans	-96.5	-16.7	179.9	-62.9	173.8	0	0	0	111.6
6	Y	39.5	Very low	42.6	Very low	170 Å²	170	163.4 Å²	163.4	67%	0.667	80%	0.8	S	S	*	*	S	Bend	trans	-96	-13.6	-174.5	-96.1	-85.9	0	0	0	116.1	F8	Y6-F8 VanDerWaalsContact C-N 3.33Å
7	L	41.6	Very low	41.6	Very low	163 Å²	163	157.3 Å²	157.3	85%	0.853	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-7.2	172	-108.7	94.7	0	0	0	113.6
8	F	44	Very low	40.8	Very low	189 Å²	189	162.7 Å²	162.7	83%	0.829	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	1.9	-178.5	-136	-96.4	0	0	0	113.5	Y6	Y6-F8 VanDerWaalsContact C-N 3.33Å
9	L	41.5	Very low	40.1	Very low	125 Å²	125	157.4 Å²	157.4	65%	0.654	79%	0.791	S	S	*	*	S	Bend	trans	-126.2	6.3	-173.5	-85.6	162.2	0	0	0	115
10	L	41	Very low	39.7	Very low	147 Å²	147	160.2 Å²	160.2	77%	0.77	80%	0.798	S	S	*	*	S	Bend	trans	-123.1	30.3	180	-81.8	173.4	0	0	0	114.9
11	L	39.6	Very low	39.3	Very low	163 Å²	163	160.9 Å²	160.9	85%	0.853	80%	0.796	S	S	*	*	S	Bend	trans	-138.3	28.3	161.3	-70.4	174.6	0	0	0	112
12	W	38.7	Very low	38.3	Very low	226 Å²	226	157.2 Å²	157.2	86%	0.856	78%	0.781	S	S	*	*	S	Bend	trans	-93.8	-1.9	173.7	-165.6	-73.8	0	0	0	112.9
13	E	36.8	Very low	37.3	Very low	191 Å²	191	153.9 Å²	153.9	89%	0.893	78%	0.78	S	S	*	*	S	Bend	trans	-121.3	45.5	176	-84.1	-171.6	155.4	0	0	114
14	E	37.8	Very low	36.6	Very low	180 Å²	180	153.4 Å²	153.4	84%	0.841	78%	0.777	S	S	*	*			trans	-123.5	40.4	152.9	-74.9	-169.7	167	0	0	110.9
15	A	37	Very low	35.9	Very low	84 Å²	84	154 Å²	154	69%	0.694	77%	0.773	S	S	*	*			trans	-73.6	126.7	158.2	0	0	0	0	0	108.9
16	Q	44.5	Very low	35	Very low	201 Å²	201	156.7 Å²	156.7	94%	0.939	78%	0.783	S	S	*	*	S	Bend	trans	96.1	70.3	175.1	-52.3	-91.6	-47	0	0	115.5
17	G	25.3	Very low	34.5	Very low	60 Å²	60	152.5 Å²	152.5	62%	0.619	77%	0.772	S	S	*	*	S	Bend	trans	-171.2	93.9	165.1	0	0	0	0	0	113.6
18	W	26.6	Very low	34.2	Very low	254 Å²	254	149.3 Å²	149.3	96%	0.962	76%	0.763	S	S	*	*			trans	77.7	91.2	161.6	-56.5	71.7	0	0	0	115.8
19	G	27.7	Very low	33.9	Very low	63 Å²	63	144 Å²	144	65%	0.649	74%	0.743	S	S	*	*			trans	-57.8	143.8	179	0	0	0	0	0	115.1	K21	G19-K21 PolarHBondContact O-N 2.87Å
20	F	31.2	Very low	33.7	Very low	213 Å²	213	145.9 Å²	145.9	93%	0.934	74%	0.741	S	S	*	*			trans	20.4	73.3	133.2	-103.5	-96.8	0	0	0	115.4
21	K	31.1	Very low	33.7	Very low	175 Å²	175	145.5 Å²	145.5	76%	0.761	74%	0.739	S	S	*	*			trans	-130.8	119.8	157.5	-72	-178.7	177.5	-179.4	0	103.5	G19	G19-K21 PolarHBondContact O-N 2.87Å
22	D	34.1	Very low	34	Very low	143 Å²	143	140 Å²	140	77%	0.765	71%	0.709	S	S	*	*			cis	-141.8	93.9	22.8	-68.9	-53.9	0	0	0	108.2	I24	D22-I24 VanDerWaalsContact C-N 3.34Å; D22-I24 PolarHBondContact O-N 3.22Å
23	G	29.2	Very low	34.8	Very low	63 Å²	63	131 Å²	131	65%	0.649	68%	0.675	S	S	*	*			trans	-65.6	97.8	162.5	0	0	0	0	0	108.4	F25	G23-F25 PolarHBondContact O-N 3.34Å
24	I	30.5	Very low	36.1	Very low	140 Å²	140	122.2 Å²	122.2	72%	0.718	64%	0.635	S	S	*	*			trans	-65.9	83.3	164.1	-59.4	175.2	0	0	0	106.9	D22	D22-I24 VanDerWaalsContact C-N 3.34Å; D22-I24 PolarHBondContact O-N 3.22Å
25	F	27.3	Very low	37.7	Very low	173 Å²	173	115.6 Å²	115.6	76%	0.759	61%	0.611	S	S	*	*			trans	-97.4	104	149.2	-97.5	-87.6	0	0	0	106.2	G23 N27	G23-F25 PolarHBondContact O-N 3.34Å; F25-N27 PolarHBondContact O-N 2.79Å
26	H	29.8	Very low	39.7	Very low	168 Å²	168	111.8 Å²	111.8	78%	0.778	58%	0.58	S	S	*	*			trans	-63.7	77.1	160.4	-83	-77.3	0	0	0	108.8
27	N	29.6	Very low	41.7	Very low	82 Å²	82	102.2 Å²	102.2	44%	0.439	54%	0.535	S	S	.	.			trans	-130.7	36.4	168.2	-89.1	-22.5	0	0	0	109.6	F25 I29 W30	F25-N27 PolarHBondContact O-N 2.79Å; N27-I29 PolarHBondContact O-N 3.38Å; N27-W30 PolarHBondContact O-NE1 3.39Å
28	S	34.3	Very low	44.6	Very low	95 Å²	95	99.9 Å²	99.9	66%	0.664	51%	0.507	S	S	*	.			trans	-78.9	68.5	162.8	65	0	0	0	0	110.7	W30	S28-W30 PolarHBondContact O-N 3.05Å
29	I	38.8	Very low	47.6	Very low	78 Å²	78	89.6 Å²	89.6	40%	0.4	47%	0.47	S	S	.	.			trans	-75.7	11.2	154.1	-135.7	153.5	0	0	0	110	N27 V138	N27-I29 PolarHBondContact O-N 3.38Å; I29-V138 HydrophobicContact CG2-CG2 4.42Å
30	W	36.7	Very low	50.5	Low	164 Å²	164	89.7 Å²	89.7	62%	0.621	45%	0.451	S	S	*	.			trans	-76.9	122.7	-173.9	-66.3	114.3	0	0	0	111.3	N27 S28 T140	N27-W30 PolarHBondContact O-NE1 3.39Å; S28-W30 PolarHBondContact O-N 3.05Å; W30-T140 HydrophobicContact CH2-CG2 4.06Å; W30-T140 WeakPolarHBondContact CH2-OG1 3.42Å; W30-T140 HydrophobicContact CZ3-CG2 4.27Å; W30-T140 VanDerWaalsContact CZ3-OG1 3.31Å; W30-T140 WeakPolarHBondContact CZ3-OG1 3.24Å
31	L	41.5	Very low	53.2	Low	139 Å²	139	83.9 Å²	83.9	73%	0.728	43%	0.427	S	S	*	.			trans	82.9	71.4	-178.6	-64.7	123.3	0	0	0	114.3	R33	L31-R33 PolarHBondContact O-N 2.97Å
32	E	44.8	Very low	55.6	Low	48 Å²	48	76.8 Å²	76.8	22%	0.224	40%	0.399	C	S	.	.	S	Bend	trans	-51.4	-16.3	-179.1	-79.5	-147.5	139.4	0	0	117.2	Y38 G137 V138 H164 Y199	E32-Y38 WeakPolarHBondContact O-CB 3.41Å; E32-G137 WeakPolarHBondContact OE2-CA 3.34Å; E32-V138 HydrophobicContact CG-CB 3.72Å; E32-V138 HydrophobicContact CG-CG2 3.26Å; E32-V138 VanDerWaalsContact CG-N 3.25Å; E32-V138 WeakPolarHBondContact OE1-CG2 3.18Å; E32-V138 PolarHBondContact OE2-N 3.21Å; E32-H164 IonicContact OE1-CD2 2.67Å; E32-H164 IonicContact OE2-CD2 3.19Å; E32-H164 PolarHBondContact OE2-CD2 2.98Å; E32-Y199 PolarHBondContact OE1-OH 3.39Å
33	R	56.7	Low	57.3	Low	38 Å²	38	78.9 Å²	78.9	14%	0.143	40%	0.396	C	S	.	.	S	Bend	trans	-144.9	95.9	169.2	-64.9	-172.4	175.9	165.8	-13.4	109.2	L31 A35 G36 V37 Y38 N129 A132	L31-R33 PolarHBondContact O-N 2.97Å; R33-A35 PolarHBondContact O-N 2.75Å; R33-G36 PolarHBondContact O-N 2.78Å; R33-V37 CarbonylContact C-O 3.59Å; R33-V37 VanDerWaalsContact CA-O 3.29Å; R33-V37 WeakPolarHBondContact CA-O 3.18Å; R33-Y38 HydrophobicContact CG-CD1 3.81Å; R33-Y38 HydrophobicContact CG-CG 4.32Å; R33-N129 VanDerWaalsContact NH1-CG 3.25Å; R33-N129 PolarHBondContact NH1-ND2 3.49Å; R33-N129 PolarHBondContact NH2-ND2 3.43Å; R33-A132 HydrophobicContact CB-CB 3.75Å; R33-A132 HydrophobicContact CG-CB 4.07Å
34	A	63.6	Low	59.3	Low	5 Å²	5	80 Å²	80	4%	0.041	39%	0.394	C	S	.	.	B	Isolated β-bridge	trans	-70.4	103.5	175.2	0	0	0	0	0	109	G36 V37 A74 I77 F79	A34-G36 PolarHBondContact O-N 3.2Å; A34-V37 PolarHBondContact N-O 3.31Å; A34-V37 PolarHBondContact O-N 2.94Å; A34-V37 VanDerWaalsContact O-N 3.08Å; A34-A74 HydrophobicContact CB-CB 3.79Å; A34-A74 WeakPolarHBondContact O-CB 3.12Å; A34-I77 HydrophobicContact CB-CD1 3.92Å; A34-I77 HydrophobicContact CB-CG1 4.1Å; A34-F79 HydrophobicContact CB-CB 3.52Å; A34-F79 HydrophobicContact CB-CD2 3.84Å; A34-F79 HydrophobicContact CB-CG 3.86Å
35	A	71.9	Confident	61.6	Low	42 Å²	42	74.5 Å²	74.5	35%	0.347	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	37.9	-172.2	0	0	0	0	0	112.7	R33 I77 Y128	R33-A35 PolarHBondContact O-N 2.75Å; A35-I77 HydrophobicContact CB-CD1 4.05Å; A35-Y128 WeakPolarHBondContact O-CE2 3.32Å
36	G	77.6	Confident	64.4	Low	3 Å²	3	70.2 Å²	70.2	3%	0.031	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	-11	-179.2	0	0	0	0	0	115.9	R33 A34 Y128 N129 A132	R33-G36 PolarHBondContact O-N 2.78Å; A34-G36 PolarHBondContact O-N 3.2Å; G36-Y128 VanDerWaalsContact O-CA 3.31Å; G36-Y128 WeakPolarHBondContact O-CA 3.45Å; G36-N129 WeakPolarHBondContact CA-O 3.49Å; G36-N129 PolarHBondContact O-N 3.5Å; G36-A132 VanDerWaalsContact CA-CB 3.44Å
37	V	87.2	Confident	67.4	Low	0 Å²	0	66.2 Å²	66.2	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	137.3	-177.8	-179.1	0	0	0	0	112.3	R33 A34 A66 Q70 L71 A74 F79 C127 Y128	R33-V37 CarbonylContact C-O 3.59Å; R33-V37 VanDerWaalsContact CA-O 3.29Å; R33-V37 WeakPolarHBondContact CA-O 3.18Å; A34-V37 PolarHBondContact N-O 3.31Å; A34-V37 PolarHBondContact O-N 2.94Å; A34-V37 VanDerWaalsContact O-N 3.08Å; V37-A66 HydrophobicContact CG1-CB 4.28Å; V37-A66 HydrophobicContact CG2-CB 4.3Å; V37-Q70 HydrophobicContact CG2-CB 3.85Å; V37-Q70 WeakPolarHBondContact CG2-O 3.31Å; V37-L71 HydrophobicContact CG1-CD1 3.66Å; V37-A74 HydrophobicContact CB-CB 3.65Å; V37-A74 HydrophobicContact CG1-CB 4.18Å; V37-A74 HydrophobicContact CG2-CB 3.84Å; V37-F79 HydrophobicContact CG1-CD1 4.3Å; V37-F79 HydrophobicContact CG1-CE1 3.88Å; V37-F79 HydrophobicContact CG1-CZ 4.42Å; V37-C127 VanDerWaalsContact CA-O 3.28Å; V37-C127 WeakPolarHBondContact CA-O 3.26Å; V37-Y128 HydrophobicContact CG2-CD2 3.78Å
38	Y	86.2	Confident	70.4	Confident	11 Å²	11	66.9 Å²	66.9	4%	0.043	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	163.3	174.9	60.1	-83	0	0	0	111.7	E32 R33 R40 E61 Y126 C127 N129	E32-Y38 WeakPolarHBondContact O-CB 3.41Å; R33-Y38 HydrophobicContact CG-CD1 3.81Å; R33-Y38 HydrophobicContact CG-CG 4.32Å; Y38-R40 HydrophobicContact CD2-CG 3.77Å; Y38-R40 HydrophobicContact CE2-CG 3.58Å; Y38-E61 WeakPolarHBondContact CE2-OE2 3.47Å; Y38-E61 WeakPolarHBondContact OH-CB 3.06Å; Y38-E61 PolarHBondContact OH-OE2 2.98Å; Y38-E61 VanDerWaalsContact OH-OE2 3.1Å; Y38-Y126 WeakPolarHBondContact O-CA 3.23Å; Y38-C127 HydrophobicContact CD1-CB 4.09Å; Y38-C127 HydrophobicContact CD2-CB 3.92Å; Y38-C127 HydrophobicContact CE1-CB 3.57Å; Y38-C127 HydrophobicContact CE2-CB 3.35Å; Y38-C127 HydrophobicContact CG-CB 4.26Å; Y38-C127 PolarHBondContact N-O 3.42Å; Y38-C127 PolarHBondContact O-N 3.24Å; Y38-C127 WeakPolarHBondContact OH-CB 3.36Å; Y38-N129 HydrophobicContact CE1-CB 4.13Å
39	H	90.1	Very high	73.3	Confident	38 Å²	38	62.7 Å²	62.7	18%	0.176	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	137.5	-178.6	177.5	-103	0	0	0	110.5	E41 F79 V81 D124 A125 Y126	H39-E41 IonicContact CE1-OE1 3.7Å; H39-F79 HydrophobicContact CB-CZ 4.19Å; H39-V81 HydrophobicContact CB-CG1 4.28Å; H39-V81 HydrophobicContact CB-CG2 4.09Å; H39-D124 IonicContact CE1-OD2 3.15Å; H39-D124 PolarHBondContact CE1-OD2 3.39Å; H39-D124 WeakPolarHBondContact NE2-CB 3.15Å; H39-D124 IonicContact NE2-OD2 3.24Å; H39-D124 PolarHBondContact NE2-OD2 3.22Å; H39-A125 CarbonylContact C-O 3.59Å; H39-A125 WeakPolarHBondContact CA-O 3.41Å; H39-Y126 HydrophobicContact CB-CD1 4.28Å; H39-Y126 HydrophobicContact CB-CE1 4.01Å; H39-Y126 AromaticContact CD2-CE1 3.63Å; H39-Y126 AromaticContact CD2-CZ 3.61Å
40	R	87.7	Confident	76.1	Confident	66 Å²	66	60 Å²	60	25%	0.249	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	129	177.9	-73.6	-56.9	-166.1	-163.5	4.6	112.1	Y38 V57 E61 D124 A125	Y38-R40 HydrophobicContact CD2-CG 3.77Å; Y38-R40 HydrophobicContact CE2-CG 3.58Å; R40-V57 HydrophobicContact CB-CG1 4.17Å; R40-V57 HydrophobicContact CG-CG1 4.34Å; R40-E61 IonicContact CZ-OE1 3.16Å; R40-E61 VanDerWaalsContact CZ-OE1 3.23Å; R40-E61 IonicContact CZ-OE2 3.54Å; R40-E61 VanDerWaalsContact CZ-OE2 3.23Å; R40-E61 IonicContact NE-OE1 3.93Å; R40-E61 PolarHBondContact NE-OE1 3.28Å; R40-E61 IonicContact NE-OE2 2.86Å; R40-E61 PolarHBondContact NE-OE2 2.89Å; R40-E61 IonicContact NH2-OE1 3.28Å; R40-E61 PolarHBondContact NH2-OE1 3.44Å; R40-E61 VanDerWaalsContact NH2-OE1 3.15Å; R40-E61 IonicContact NH2-OE2 3.98Å; R40-E61 PolarHBondContact NH2-OE2 2.95Å; R40-D124 CarbonylContact O-C 3.54Å; R40-D124 WeakPolarHBondContact O-CB 3.41Å; R40-A125 HydrophobicContact CB-CB 4.31Å; R40-A125 PolarHBondContact N-O 3.15Å; R40-A125 PolarHBondContact O-N 2.9Å
41	E	88.7	Confident	79	Confident	90 Å²	90	54.4 Å²	54.4	42%	0.421	27%	0.267	S	S	.	.			trans	-93.3	163.6	166.7	-58.7	-173	-174.3	0	0	109.4	H39 K46	H39-E41 IonicContact CE1-OE1 3.7Å; E41-K46 PolarHBondContact OE2-N 2.84Å
42	S	80.5	Confident	81.7	Confident	26 Å²	26	51 Å²	51	18%	0.182	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-66.3	154.6	166.6	-178.8	0	0	0	0	110.1	S44 G45	S42-S44 PolarHBondContact O-N 3.42Å; S42-S44 VanDerWaalsContact O-N 3.14Å; S42-S44 PolarHBondContact OG-N 3.26Å; S42-S44 PolarHBondContact OG-OG 2.99Å; S42-G45 WeakPolarHBondContact CB-O 3.43Å; S42-G45 PolarHBondContact N-O 3.32Å; S42-G45 WeakPolarHBondContact O-CA 3.18Å; S42-G45 PolarHBondContact O-N 3.2Å
43	R	69.9	Low	84.1	Confident	188 Å²	188	52.5 Å²	52.5	71%	0.709	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-28.1	166.8	-65.5	-176.3	175.8	-171.4	-4.4	112.6	G45 D201 V202	R43-G45 PolarHBondContact O-N 2.81Å; R43-D201 IonicContact NH2-OD1 2.81Å; R43-D201 PolarHBondContact NH2-OD1 2.77Å; R43-V202 VanDerWaalsContact NH2-CG2 3.31Å
44	S	72.6	Confident	86	Confident	85 Å²	85	50.7 Å²	50.7	59%	0.594	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	10.9	175.1	66.8	0	0	0	0	113.9	S42 K48	S42-S44 PolarHBondContact O-N 3.42Å; S42-S44 VanDerWaalsContact O-N 3.14Å; S42-S44 PolarHBondContact OG-N 3.26Å; S42-S44 PolarHBondContact OG-OG 2.99Å; S44-K48 WeakPolarHBondContact OG-CB 3.44Å; S44-K48 WeakPolarHBondContact OG-CG 3.32Å
45	G	78.2	Confident	87.6	Confident	26 Å²	26	54.5 Å²	54.5	27%	0.268	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	96.8	-175	179.8	0	0	0	0	0	115.1	S42 R43 K48	S42-G45 WeakPolarHBondContact CB-O 3.43Å; S42-G45 PolarHBondContact N-O 3.32Å; S42-G45 WeakPolarHBondContact O-CA 3.18Å; S42-G45 PolarHBondContact O-N 3.2Å; R43-G45 PolarHBondContact O-N 2.81Å; G45-K48 WeakPolarHBondContact O-CG 3.28Å
46	K	85.9	Confident	88.3	Confident	82 Å²	82	55 Å²	55	36%	0.357	28%	0.28	S	S	.	.	S	Bend	trans	-60.4	141.8	-174.2	-155.3	-177	-168.9	-177.1	0	114.7	E41 K48 C82 D124	E41-K46 PolarHBondContact OE2-N 2.84Å; K46-K48 WeakPolarHBondContact O-CG 3.35Å; K46-C82 PolarHBondContact NZ-O 3Å; K46-D124 WeakPolarHBondContact CA-OD1 2.86Å; K46-D124 WeakPolarHBondContact CE-OD2 3.34Å; K46-D124 WeakPolarHBondContact CG-OD2 3.43Å
47	Y	92.6	Very high	88.7	Confident	85 Å²	85	56.8 Å²	56.8	33%	0.333	29%	0.29	S	S	.	.	S	Bend	trans	56.8	49.2	175.4	-51.7	-36.1	0	0	0	113.3	A83 A84 R122 W123 D124	Y47-A83 HydrophobicContact CE1-CB 4.28Å; Y47-A83 WeakPolarHBondContact OH-CA 3.42Å; Y47-A84 VanDerWaalsContact CE1-O 3.28Å; Y47-A84 WeakPolarHBondContact CE1-O 3.36Å; Y47-A84 PolarHBondContact OH-N 3.17Å; Y47-R122 VanDerWaalsContact O-CB 3.26Å; Y47-R122 WeakPolarHBondContact O-CB 3.45Å; Y47-W123 HydrophobicContact CD1-CE3 4.44Å; Y47-D124 HydrophobicContact CD1-CB 4.48Å; Y47-D124 VanDerWaalsContact CE1-OD2 3.3Å; Y47-D124 WeakPolarHBondContact CE1-OD2 3.37Å; Y47-D124 PolarHBondContact N-OD1 3.02Å
48	K	94	Very high	88.6	Confident	96 Å²	96	56.8 Å²	56.8	42%	0.417	29%	0.29	S	S	.	.			trans	-120.5	-0.9	-179.7	-55.7	-64.5	176.4	-177.4	0	113.8	S44 G45 K46 R122	S44-K48 WeakPolarHBondContact OG-CB 3.44Å; S44-K48 WeakPolarHBondContact OG-CG 3.32Å; G45-K48 WeakPolarHBondContact O-CG 3.28Å; K46-K48 WeakPolarHBondContact O-CG 3.35Å; K48-R122 PolarHBondContact O-NH1 3.22Å
49	L	94.4	Very high	88.5	Confident	7 Å²	7	60.5 Å²	60.5	4%	0.037	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-99.1	125	-177.9	-56.9	170.2	0	0	0	111.1	E53 A54 V57 W86 R122 W123 A125	L49-E53 HydrophobicContact CB-CB 4.32Å; L49-E53 HydrophobicContact CD2-CB 3.96Å; L49-A54 HydrophobicContact CB-CB 4Å; L49-A54 HydrophobicContact CD1-CB 4.39Å; L49-V57 HydrophobicContact CD1-CG2 4.43Å; L49-V57 HydrophobicContact CD2-CG2 4.15Å; L49-W86 PolarHBondContact O-NE1 3.35Å; L49-R122 WeakPolarHBondContact O-CA 3.36Å; L49-W123 WeakPolarHBondContact CB-O 3.36Å; L49-W123 PolarHBondContact N-O 3.44Å; L49-W123 PolarHBondContact O-N 3.08Å; L49-A125 HydrophobicContact CD1-CB 4.13Å
50	T	98.2	Very high	87.8	Confident	21 Å²	21	64 Å²	64	13%	0.129	32%	0.322	C	S	.	.			trans	-65.7	168.3	159.3	62.1	0	0	0	0	110.3	A52 E53 A54 E121 R122	T50-A52 VanDerWaalsContact C-N 3.28Å; T50-A52 PolarHBondContact O-N 2.51Å; T50-E53 WeakPolarHBondContact CB-OE2 3.29Å; T50-E53 WeakPolarHBondContact CG2-OE2 3.23Å; T50-E53 PolarHBondContact N-OE2 2.81Å; T50-E53 PolarHBondContact O-N 2.88Å; T50-E53 VanDerWaalsContact OG1-CG 3.26Å; T50-E53 WeakPolarHBondContact OG1-CG 3.49Å; T50-E53 PolarHBondContact OG1-N 2.82Å; T50-E53 PolarHBondContact OG1-OE2 2.03Å; T50-A54 VanDerWaalsContact O-CB 3.3Å; T50-A54 WeakPolarHBondContact O-CB 3.38Å; T50-A54 PolarHBondContact O-N 2.94Å; T50-E121 WeakPolarHBondContact CA-O 3.37Å; T50-R122 HydrophobicContact CG2-CG 4.48Å
51	Y	98	Very high	87	Confident	46 Å²	46	61.8 Å²	61.8	18%	0.18	32%	0.315	C	S	.	.	H	α-helix	trans	-59.9	-39.7	179.4	180	-107.5	0	0	0	112.6	K55 L65 W86 K89 G90 R119	Y51-K55 WeakPolarHBondContact O-CB 3.27Å; Y51-K55 PolarHBondContact O-N 2.77Å; Y51-L65 HydrophobicContact CD2-CD1 3.94Å; Y51-L65 HydrophobicContact CE2-CD1 3.32Å; Y51-W86 HydrophobicContact CD2-CB 4.35Å; Y51-W86 AromaticContact CD2-CD2 3.89Å; Y51-W86 HydrophobicContact CD2-CD2 3.89Å; Y51-W86 AromaticContact CD2-CE3 3.67Å; Y51-W86 HydrophobicContact CD2-CE3 3.67Å; Y51-W86 HydrophobicContact CD2-CG 4.22Å; Y51-W86 HydrophobicContact CD2-CZ3 4.24Å; Y51-W86 HydrophobicContact CG-CE3 4.41Å; Y51-K89 PolarHBondContact OH-N 3.41Å; Y51-G90 VanDerWaalsContact CD2-CA 3.45Å; Y51-G90 PolarHBondContact OH-N 3.02Å; Y51-R119 PolarHBondContact N-O 2.93Å; Y51-R119 VanDerWaalsContact N-O 3.08Å
52	A	97.4	Very high	86.2	Confident	68 Å²	68	58.4 Å²	58.4	56%	0.562	30%	0.304	S	S	*	.	H	α-helix	trans	-67.2	-44.7	178.8	0	0	0	0	0	111.6	T50 K55 A56	T50-A52 VanDerWaalsContact C-N 3.28Å; T50-A52 PolarHBondContact O-N 2.51Å; A52-K55 PolarHBondContact O-N 3.24Å; A52-A56 WeakPolarHBondContact O-CB 3.34Å; A52-A56 PolarHBondContact O-N 2.91Å
53	E	95.8	Very high	86.4	Confident	79 Å²	79	57.8 Å²	57.8	37%	0.369	30%	0.302	S	S	.	.	H	α-helix	trans	-64.1	-42	176.3	-68.5	162.7	151.8	0	0	111.5	L49 T50 K55 A56 V57 R122	L49-E53 HydrophobicContact CB-CB 4.32Å; L49-E53 HydrophobicContact CD2-CB 3.96Å; T50-E53 WeakPolarHBondContact CB-OE2 3.29Å; T50-E53 WeakPolarHBondContact CG2-OE2 3.23Å; T50-E53 PolarHBondContact N-OE2 2.81Å; T50-E53 PolarHBondContact O-N 2.88Å; T50-E53 VanDerWaalsContact OG1-CG 3.26Å; T50-E53 WeakPolarHBondContact OG1-CG 3.49Å; T50-E53 PolarHBondContact OG1-N 2.82Å; T50-E53 PolarHBondContact OG1-OE2 2.03Å; E53-K55 VanDerWaalsContact C-N 3.33Å; E53-K55 PolarHBondContact O-N 3.45Å; E53-A56 PolarHBondContact O-N 3.25Å; E53-V57 WeakPolarHBondContact O-CG2 3.12Å; E53-V57 PolarHBondContact O-N 3.03Å; E53-R122 IonicContact OE1-NH1 3.46Å; E53-R122 IonicContact OE2-NH1 3.1Å
54	A	96	Very high	87.5	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.8	-40.6	176.1	0	0	0	0	0	112.2	L49 T50 C58 L65 W86 A125	L49-A54 HydrophobicContact CB-CB 4Å; L49-A54 HydrophobicContact CD1-CB 4.39Å; T50-A54 VanDerWaalsContact O-CB 3.3Å; T50-A54 WeakPolarHBondContact O-CB 3.38Å; T50-A54 PolarHBondContact O-N 2.94Å; A54-C58 PolarHBondContact O-N 3.15Å; A54-C58 PolarHBondContact O-SG 2.81Å; A54-L65 HydrophobicContact CB-CD2 4.15Å; A54-W86 HydrophobicContact CB-CB 3.89Å; A54-W86 HydrophobicContact CB-CG 3.99Å; A54-A125 HydrophobicContact CB-CB 3.81Å
55	K	95.9	Very high	88.7	Confident	85 Å²	85	49.1 Å²	49.1	37%	0.37	26%	0.26	S	S	.	.	H	α-helix	trans	-61.7	-49.5	173.8	-169.4	-178.8	179.1	-91.9	0	110.9	Y51 A52 E53 V57 C58 E59 L65	Y51-K55 WeakPolarHBondContact O-CB 3.27Å; Y51-K55 PolarHBondContact O-N 2.77Å; A52-K55 PolarHBondContact O-N 3.24Å; E53-K55 VanDerWaalsContact C-N 3.33Å; E53-K55 PolarHBondContact O-N 3.45Å; K55-V57 VanDerWaalsContact C-N 3.34Å; K55-V57 PolarHBondContact O-N 2.75Å; K55-C58 PolarHBondContact O-N 2.89Å; K55-E59 WeakPolarHBondContact CE-OE1 3.24Å; K55-E59 HydrophobicContact CG-CG 4.48Å; K55-E59 VanDerWaalsContact NZ-CD 3.28Å; K55-E59 IonicContact NZ-OE1 2.75Å; K55-E59 PolarHBondContact NZ-OE1 3.3Å; K55-E59 IonicContact NZ-OE2 2.89Å; K55-E59 PolarHBondContact NZ-OE2 2.97Å; K55-E59 VanDerWaalsContact NZ-OE2 3.16Å; K55-E59 WeakPolarHBondContact O-CB 3.15Å; K55-E59 WeakPolarHBondContact O-CG 3.05Å; K55-E59 PolarHBondContact O-N 2.8Å; K55-L65 HydrophobicContact CB-CD1 3.97Å; K55-L65 HydrophobicContact CB-CG 4.46Å; K55-L65 HydrophobicContact CG-CD1 4.43Å
56	A	87.9	Confident	89.6	Confident	54 Å²	54	47.9 Å²	47.9	45%	0.446	25%	0.247	S	C	.	.	H	α-helix	trans	-60.9	-40.2	-180	0	0	0	0	0	112.5	A52 E53 E59 F60	A52-A56 WeakPolarHBondContact O-CB 3.34Å; A52-A56 PolarHBondContact O-N 2.91Å; E53-A56 PolarHBondContact O-N 3.25Å; A56-E59 PolarHBondContact O-N 3.21Å; A56-F60 VanDerWaalsContact O-CB 3.29Å; A56-F60 WeakPolarHBondContact O-CB 3.31Å; A56-F60 PolarHBondContact O-N 3.11Å
57	V	85.5	Confident	90.2	Very high	40 Å²	40	46.5 Å²	46.5	24%	0.242	25%	0.246	C	C	.	.	H	α-helix	trans	-62.8	-43.7	176.1	167.9	0	0	0	0	111.5	R40 L49 E53 K55 E61	R40-V57 HydrophobicContact CB-CG1 4.17Å; R40-V57 HydrophobicContact CG-CG1 4.34Å; L49-V57 HydrophobicContact CD1-CG2 4.43Å; L49-V57 HydrophobicContact CD2-CG2 4.15Å; E53-V57 WeakPolarHBondContact O-CG2 3.12Å; E53-V57 PolarHBondContact O-N 3.03Å; K55-V57 VanDerWaalsContact C-N 3.34Å; K55-V57 PolarHBondContact O-N 2.75Å; V57-E61 PolarHBondContact O-N 3.34Å
58	C	85.1	Confident	90.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.8	-39.5	176.7	-60.6	0	0	0	0	112.2	A54 K55 E61 G63 L65 C127	A54-C58 PolarHBondContact O-N 3.15Å; A54-C58 PolarHBondContact O-SG 2.81Å; K55-C58 PolarHBondContact O-N 2.89Å; C58-E61 PolarHBondContact O-N 3.5Å; C58-G63 CarbonylContact C-O 3.51Å; C58-G63 CarbonylContact O-C 3.58Å; C58-G63 VanDerWaalsContact O-C 3.23Å; C58-G63 VanDerWaalsContact O-CA 3.28Å; C58-G63 WeakPolarHBondContact O-CA 3.34Å; C58-G63 PolarHBondContact O-N 2.93Å; C58-L65 VanDerWaalsContact SG-CD2 3.59Å; C58-C127 WeakPolarHBondContact CA-SG 3.08Å; C58-C127 HydrophobicContact CB-CB 3.69Å; C58-C127 WeakPolarHBondContact CB-SG 3.42Å; C58-C127 WeakPolarHBondContact SG-CA 3Å; C58-C127 WeakPolarHBondContact SG-CB 3.34Å; C58-C127 CovalentContact SG-SG 2.03Å; C58-C127 PolarHBondContact SG-SG 2.71Å
59	E	84.1	Confident	90.5	Very high	89 Å²	89	50.2 Å²	50.2	42%	0.416	26%	0.262	S	S	.	.	H	α-helix	trans	-65.7	-40.7	178.6	-73.6	175.4	162.1	0	0	111.8	K55 A56 E61 G62 G63	K55-E59 WeakPolarHBondContact CE-OE1 3.24Å; K55-E59 HydrophobicContact CG-CG 4.48Å; K55-E59 VanDerWaalsContact NZ-CD 3.28Å; K55-E59 IonicContact NZ-OE1 2.75Å; K55-E59 PolarHBondContact NZ-OE1 3.3Å; K55-E59 IonicContact NZ-OE2 2.89Å; K55-E59 PolarHBondContact NZ-OE2 2.97Å; K55-E59 VanDerWaalsContact NZ-OE2 3.16Å; K55-E59 WeakPolarHBondContact O-CB 3.15Å; K55-E59 WeakPolarHBondContact O-CG 3.05Å; K55-E59 PolarHBondContact O-N 2.8Å; A56-E59 PolarHBondContact O-N 3.21Å; E59-E61 PolarHBondContact O-N 2.95Å; E59-E61 VanDerWaalsContact O-N 3.17Å; E59-G62 PolarHBondContact O-N 2.82Å; E59-G62 VanDerWaalsContact O-N 3.08Å; E59-G63 VanDerWaalsContact CA-O 3.26Å; E59-G63 WeakPolarHBondContact CA-O 3.03Å
60	F	74.9	Confident	90.5	Very high	110 Å²	110	51.8 Å²	51.8	48%	0.482	27%	0.269	S	S	.	.	H	α-helix	trans	-58.9	-26.6	174.7	-177.7	-98.2	0	0	0	113.2	A56	A56-F60 VanDerWaalsContact O-CB 3.29Å; A56-F60 WeakPolarHBondContact O-CB 3.31Å; A56-F60 PolarHBondContact O-N 3.11Å
61	E	71.7	Confident	90.4	Very high	20 Å²	20	50.8 Å²	50.8	9%	0.093	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	19.3	179.7	-62.8	-178.7	-173.5	0	0	113.7	Y38 R40 V57 C58 E59 G63 N129 Y162	Y38-E61 WeakPolarHBondContact CE2-OE2 3.47Å; Y38-E61 WeakPolarHBondContact OH-CB 3.06Å; Y38-E61 PolarHBondContact OH-OE2 2.98Å; Y38-E61 VanDerWaalsContact OH-OE2 3.1Å; R40-E61 IonicContact CZ-OE1 3.16Å; R40-E61 VanDerWaalsContact CZ-OE1 3.23Å; R40-E61 IonicContact CZ-OE2 3.54Å; R40-E61 VanDerWaalsContact CZ-OE2 3.23Å; R40-E61 IonicContact NE-OE1 3.93Å; R40-E61 PolarHBondContact NE-OE1 3.28Å; R40-E61 IonicContact NE-OE2 2.86Å; R40-E61 PolarHBondContact NE-OE2 2.89Å; R40-E61 IonicContact NH2-OE1 3.28Å; R40-E61 PolarHBondContact NH2-OE1 3.44Å; R40-E61 VanDerWaalsContact NH2-OE1 3.15Å; R40-E61 IonicContact NH2-OE2 3.98Å; R40-E61 PolarHBondContact NH2-OE2 2.95Å; V57-E61 PolarHBondContact O-N 3.34Å; C58-E61 PolarHBondContact O-N 3.5Å; E59-E61 PolarHBondContact O-N 2.95Å; E59-E61 VanDerWaalsContact O-N 3.17Å; E61-G63 VanDerWaalsContact C-N 3.26Å; E61-G63 PolarHBondContact O-N 2.89Å; E61-N129 PolarHBondContact O-ND2 2.92Å; E61-Y162 HydrophobicContact CB-CE2 4.27Å; E61-Y162 HydrophobicContact CG-CE2 4.31Å
62	G	72.3	Confident	90.2	Very high	20 Å²	20	50.3 Å²	50.3	21%	0.206	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	25.7	179.3	0	0	0	0	0	113.5	E59 N129	E59-G62 PolarHBondContact O-N 2.82Å; E59-G62 VanDerWaalsContact O-N 3.08Å; G62-N129 VanDerWaalsContact O-CG 3.31Å; G62-N129 PolarHBondContact O-ND2 2.99Å; G62-N129 VanDerWaalsContact O-ND2 3.12Å
63	G	84.6	Confident	89.8	Confident	13 Å²	13	49.2 Å²	49.2	13%	0.134	25%	0.253	C	S	.	.			trans	-122.5	-163.7	176.2	0	0	0	0	0	111.6	C58 E59 E61 Y128	C58-G63 CarbonylContact C-O 3.51Å; C58-G63 CarbonylContact O-C 3.58Å; C58-G63 VanDerWaalsContact O-C 3.23Å; C58-G63 VanDerWaalsContact O-CA 3.28Å; C58-G63 WeakPolarHBondContact O-CA 3.34Å; C58-G63 PolarHBondContact O-N 2.93Å; E59-G63 VanDerWaalsContact CA-O 3.26Å; E59-G63 WeakPolarHBondContact CA-O 3.03Å; E61-G63 VanDerWaalsContact C-N 3.26Å; E61-G63 PolarHBondContact O-N 2.89Å; G63-Y128 CarbonylContact C-O 3.6Å; G63-Y128 WeakPolarHBondContact CA-O 3.44Å
64	H	93.1	Very high	89.3	Confident	81 Å²	81	45.4 Å²	45.4	38%	0.375	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	168.6	170.5	58.7	17.8	0	0	0	107.8	A66 C127 Y128	H64-A66 PolarHBondContact O-N 2.84Å; H64-C127 CarbonylContact O-C 3.52Å; H64-C127 WeakPolarHBondContact O-CA 3.31Å; H64-Y128 AromaticContact CE1-CD1 3.25Å; H64-Y128 WeakPolarHBondContact CE1-CD1 3.43Å; H64-Y128 AromaticContact CE1-CG 3.91Å; H64-Y128 PolarHBondContact N-O 2.89Å; H64-Y128 AromaticContact ND1-CD1 3.89Å; H64-Y128 PolarHBondContact ND1-O 3.41Å; H64-Y128 PolarHBondContact O-N 2.77Å
65	L	97.3	Very high	89.1	Confident	9 Å²	9	47.3 Å²	47.3	5%	0.047	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	129	174.4	-72	169	0	0	0	110.8	Y51 A54 K55 C58 W86 A125 Y126	Y51-L65 HydrophobicContact CD2-CD1 3.94Å; Y51-L65 HydrophobicContact CE2-CD1 3.32Å; A54-L65 HydrophobicContact CB-CD2 4.15Å; K55-L65 HydrophobicContact CB-CD1 3.97Å; K55-L65 HydrophobicContact CB-CG 4.46Å; K55-L65 HydrophobicContact CG-CD1 4.43Å; C58-L65 VanDerWaalsContact SG-CD2 3.59Å; L65-W86 HydrophobicContact CD2-CB 4.11Å; L65-A125 HydrophobicContact CD2-CB 4.15Å; L65-Y126 CarbonylContact C-O 3.48Å; L65-Y126 WeakPolarHBondContact CA-O 3.18Å
66	A	96.8	Very high	88.7	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-61.9	140.5	179.2	0	0	0	0	0	110.6	V37 H64 M87 A88 Y126	V37-A66 HydrophobicContact CG1-CB 4.28Å; V37-A66 HydrophobicContact CG2-CB 4.3Å; H64-A66 PolarHBondContact O-N 2.84Å; A66-M87 CarbonylContact O-C 3.6Å; A66-M87 WeakPolarHBondContact O-CA 3.35Å; A66-M87 VanDerWaalsContact O-CB 3.28Å; A66-M87 WeakPolarHBondContact O-CB 3.28Å; A66-A88 PolarHBondContact O-N 2.97Å; A66-Y126 WeakPolarHBondContact CB-O 3.1Å; A66-Y126 PolarHBondContact N-O 3.02Å
67	T	97.8	Very high	88.3	Confident	53 Å²	53	53.1 Å²	53.1	33%	0.325	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-74	157.8	167.7	66.1	0	0	0	0	110.5	K69 Q70 L71 A88	T67-K69 PolarHBondContact O-N 2.92Å; T67-Q70 PolarHBondContact O-N 3.46Å; T67-Q70 VanDerWaalsContact O-N 3.1Å; T67-Q70 VanDerWaalsContact OG1-CD 3.27Å; T67-Q70 WeakPolarHBondContact OG1-CG 3.3Å; T67-Q70 PolarHBondContact OG1-N 2.8Å; T67-Q70 PolarHBondContact OG1-OE1 3.23Å; T67-L71 PolarHBondContact O-N 2.93Å; T67-A88 HydrophobicContact CG2-CB 4.04Å
68	Y	97.2	Very high	87.9	Confident	88 Å²	88	53.3 Å²	53.3	35%	0.345	27%	0.273	S	S	.	.	H	α-helix	trans	-52.1	-41.3	172.8	-174.8	-82	0	0	0	112.3	L71 E72 M87 I110 D112	Y68-L71 PolarHBondContact O-N 2.01Å; Y68-E72 HydrophobicContact CE1-CB 4.39Å; Y68-E72 WeakPolarHBondContact O-CB 3.39Å; Y68-E72 PolarHBondContact O-N 2.78Å; Y68-M87 HydrophobicContact CD2-SD 4.46Å; Y68-I110 HydrophobicContact CD2-CG2 4.25Å; Y68-I110 HydrophobicContact CE1-CG1 4.41Å; Y68-I110 HydrophobicContact CE2-CB 3.68Å; Y68-I110 HydrophobicContact CE2-CG1 3.99Å; Y68-I110 HydrophobicContact CE2-CG2 3.7Å; Y68-D112 HydrophobicContact CE2-CB 4.22Å; Y68-D112 VanDerWaalsContact CE2-OD2 3.26Å; Y68-D112 WeakPolarHBondContact CE2-OD2 3.44Å
69	K	96.4	Very high	87.8	Confident	172 Å²	172	54.7 Å²	54.7	75%	0.748	28%	0.279	S	S	*	.	H	α-helix	trans	-65.2	-41.4	179.8	-70.3	-174.3	178.6	-178.2	0	112.1	T67 E72 A73	T67-K69 PolarHBondContact O-N 2.92Å; K69-E72 PolarHBondContact O-N 3.23Å; K69-A73 WeakPolarHBondContact O-CB 3.41Å; K69-A73 PolarHBondContact O-N 3.28Å
70	Q	95.2	Very high	87.9	Confident	40 Å²	40	54.2 Å²	54.2	19%	0.187	28%	0.276	C	S	.	.	H	α-helix	trans	-64.7	-46	176.1	-75.1	158	-30.9	0	0	110.7	V37 T67 E72 A73 A74 Y128	V37-Q70 HydrophobicContact CG2-CB 3.85Å; V37-Q70 WeakPolarHBondContact CG2-O 3.31Å; T67-Q70 PolarHBondContact O-N 3.46Å; T67-Q70 VanDerWaalsContact O-N 3.1Å; T67-Q70 VanDerWaalsContact OG1-CD 3.27Å; T67-Q70 WeakPolarHBondContact OG1-CG 3.3Å; T67-Q70 PolarHBondContact OG1-N 2.8Å; T67-Q70 PolarHBondContact OG1-OE1 3.23Å; Q70-E72 VanDerWaalsContact C-N 3.34Å; Q70-E72 PolarHBondContact O-N 2.71Å; Q70-A73 PolarHBondContact O-N 2.68Å; Q70-A74 WeakPolarHBondContact O-CB 3.07Å; Q70-A74 PolarHBondContact O-N 2.88Å; Q70-Y128 HydrophobicContact CB-CD2 3.93Å; Q70-Y128 HydrophobicContact CB-CE2 4.3Å; Q70-Y128 HydrophobicContact CG-CD2 3.76Å; Q70-Y128 HydrophobicContact CG-CE2 3.75Å; Q70-Y128 HydrophobicContact CG-CG 4.27Å; Q70-Y128 VanDerWaalsContact NE2-CD1 3.27Å; Q70-Y128 VanDerWaalsContact NE2-CZ 3.32Å
71	L	94.9	Very high	88.5	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.8	-39.6	177.7	-172	63.9	0	0	0	112.2	V37 T67 Y68 A74 R75 F79 M87 P95 I110 Y126	V37-L71 HydrophobicContact CG1-CD1 3.66Å; T67-L71 PolarHBondContact O-N 2.93Å; Y68-L71 PolarHBondContact O-N 2.01Å; L71-A74 WeakPolarHBondContact O-CB 3.31Å; L71-A74 PolarHBondContact O-N 2.75Å; L71-R75 WeakPolarHBondContact O-CB 3.4Å; L71-R75 PolarHBondContact O-N 2.89Å; L71-F79 HydrophobicContact CD1-CD1 4.03Å; L71-F79 HydrophobicContact CD1-CE1 3.87Å; L71-M87 HydrophobicContact CB-SD 4.33Å; L71-M87 HydrophobicContact CD2-CE 4.27Å; L71-M87 HydrophobicContact CD2-CG 4.14Å; L71-M87 HydrophobicContact CD2-SD 3.46Å; L71-M87 WeakPolarHBondContact CD2-SD 3.38Å; L71-P95 HydrophobicContact CD1-CB 4.23Å; L71-P95 HydrophobicContact CD1-CG 3.84Å; L71-P95 HydrophobicContact CG-CB 4.28Å; L71-P95 HydrophobicContact CG-CG 4.35Å; L71-I110 HydrophobicContact CB-CD1 4.37Å; L71-I110 HydrophobicContact CD2-CD1 3.91Å; L71-I110 HydrophobicContact CD2-CG2 4.34Å; L71-I110 HydrophobicContact CG-CD1 3.71Å; L71-Y126 HydrophobicContact CD1-CD1 3.5Å; L71-Y126 HydrophobicContact CD1-CE1 3.93Å; L71-Y126 HydrophobicContact CD1-CG 3.87Å; L71-Y126 HydrophobicContact CD2-CD1 4.47Å; L71-Y126 HydrophobicContact CD2-CD2 4.16Å; L71-Y126 HydrophobicContact CD2-CG 4.14Å
72	E	94.9	Very high	89.4	Confident	35 Å²	35	52 Å²	52	16%	0.164	28%	0.275	C	S	.	.	H	α-helix	trans	-68.2	-37.5	175.6	178.3	55.1	-156.9	0	0	112.2	Y68 K69 Q70 R75 K76 I110	Y68-E72 HydrophobicContact CE1-CB 4.39Å; Y68-E72 WeakPolarHBondContact O-CB 3.39Å; Y68-E72 PolarHBondContact O-N 2.78Å; K69-E72 PolarHBondContact O-N 3.23Å; Q70-E72 VanDerWaalsContact C-N 3.34Å; Q70-E72 PolarHBondContact O-N 2.71Å; E72-R75 VanDerWaalsContact CD-NE 3.35Å; E72-R75 PolarHBondContact O-N 3.38Å; E72-R75 IonicContact OE1-CZ 3.16Å; E72-R75 IonicContact OE1-NE 3.67Å; E72-R75 PolarHBondContact OE1-NE 2.87Å; E72-R75 VanDerWaalsContact OE1-NE 3.16Å; E72-R75 IonicContact OE1-NH2 3.23Å; E72-R75 PolarHBondContact OE1-NH2 2.81Å; E72-R75 WeakPolarHBondContact OE2-CD 3.41Å; E72-R75 IonicContact OE2-CZ 2.79Å; E72-R75 IonicContact OE2-NE 2.63Å; E72-R75 PolarHBondContact OE2-NE 3.06Å; E72-R75 IonicContact OE2-NH2 3.15Å; E72-K76 WeakPolarHBondContact O-CG 3.38Å; E72-K76 PolarHBondContact O-N 2.83Å; E72-K76 WeakPolarHBondContact OE1-CE 2.96Å; E72-I110 HydrophobicContact CB-CG1 4.22Å; E72-I110 WeakPolarHBondContact OE2-CG1 3.42Å
73	A	89.5	Confident	90.3	Very high	45 Å²	45	51.1 Å²	51.1	37%	0.372	27%	0.266	S	S	.	.	H	α-helix	trans	-63.5	-44.6	173.4	0	0	0	0	0	111.5	K69 Q70 R75 K76 I77	K69-A73 WeakPolarHBondContact O-CB 3.41Å; K69-A73 PolarHBondContact O-N 3.28Å; Q70-A73 PolarHBondContact O-N 2.68Å; A73-R75 VanDerWaalsContact C-N 3.35Å; A73-R75 PolarHBondContact O-N 3.31Å; A73-K76 PolarHBondContact O-N 2.75Å; A73-I77 PolarHBondContact O-N 2.84Å
74	A	85.3	Confident	90.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.3	-46.1	174.2	0	0	0	0	0	111.6	A34 V37 Q70 L71 K76 I77 G78 F79	A34-A74 HydrophobicContact CB-CB 3.79Å; A34-A74 WeakPolarHBondContact O-CB 3.12Å; V37-A74 HydrophobicContact CB-CB 3.65Å; V37-A74 HydrophobicContact CG1-CB 4.18Å; V37-A74 HydrophobicContact CG2-CB 3.84Å; Q70-A74 WeakPolarHBondContact O-CB 3.07Å; Q70-A74 PolarHBondContact O-N 2.88Å; L71-A74 WeakPolarHBondContact O-CB 3.31Å; L71-A74 PolarHBondContact O-N 2.75Å; A74-K76 VanDerWaalsContact C-N 3.35Å; A74-K76 PolarHBondContact O-N 3.07Å; A74-I77 WeakPolarHBondContact O-CG1 3.35Å; A74-I77 PolarHBondContact O-N 2.99Å; A74-G78 PolarHBondContact O-N 3.28Å; A74-F79 HydrophobicContact CB-CB 3.86Å; A74-F79 HydrophobicContact CB-CD1 4.04Å; A74-F79 HydrophobicContact CB-CG 4.14Å; A74-F79 WeakPolarHBondContact O-CB 3.42Å; A74-F79 PolarHBondContact O-N 2.67Å
75	R	91.1	Very high	91.1	Very high	39 Å²	39	46.8 Å²	46.8	15%	0.147	24%	0.243	C	C	.	.	H	α-helix	trans	-59.3	-44.3	177.2	-173.6	-154.3	68.7	71.9	1.3	112	L71 E72 A73 I77 G78 F79 P95 I96 V97 G109 I110	L71-R75 WeakPolarHBondContact O-CB 3.4Å; L71-R75 PolarHBondContact O-N 2.89Å; E72-R75 VanDerWaalsContact CD-NE 3.35Å; E72-R75 PolarHBondContact O-N 3.38Å; E72-R75 IonicContact OE1-CZ 3.16Å; E72-R75 IonicContact OE1-NE 3.67Å; E72-R75 PolarHBondContact OE1-NE 2.87Å; E72-R75 VanDerWaalsContact OE1-NE 3.16Å; E72-R75 IonicContact OE1-NH2 3.23Å; E72-R75 PolarHBondContact OE1-NH2 2.81Å; E72-R75 WeakPolarHBondContact OE2-CD 3.41Å; E72-R75 IonicContact OE2-CZ 2.79Å; E72-R75 IonicContact OE2-NE 2.63Å; E72-R75 PolarHBondContact OE2-NE 3.06Å; E72-R75 IonicContact OE2-NH2 3.15Å; A73-R75 VanDerWaalsContact C-N 3.35Å; A73-R75 PolarHBondContact O-N 3.31Å; R75-I77 PolarHBondContact O-N 3.12Å; R75-I77 VanDerWaalsContact O-N 3.13Å; R75-G78 PolarHBondContact O-N 3.3Å; R75-F79 WeakPolarHBondContact CA-O 3.39Å; R75-P95 HydrophobicContact CB-CB 3.82Å; R75-P95 HydrophobicContact CG-CB 3.86Å; R75-I96 WeakPolarHBondContact CD-O 3.36Å; R75-V97 HydrophobicContact CG-CG2 3.81Å; R75-V97 WeakPolarHBondContact O-CG2 3.24Å; R75-G109 VanDerWaalsContact CD-C 3.48Å; R75-G109 VanDerWaalsContact CD-CA 3.47Å; R75-I110 HydrophobicContact CB-CD1 4.35Å
76	K	87.4	Confident	91.1	Very high	149 Å²	149	46.4 Å²	46.4	65%	0.648	24%	0.241	S	C	*	.	H	α-helix	trans	-58.6	-25.7	-179.8	-77.1	175.4	-179.7	-178.7	0	113.4	E72 A73 A74	E72-K76 WeakPolarHBondContact O-CG 3.38Å; E72-K76 PolarHBondContact O-N 2.83Å; E72-K76 WeakPolarHBondContact OE1-CE 2.96Å; A73-K76 PolarHBondContact O-N 2.75Å; A74-K76 VanDerWaalsContact C-N 3.35Å; A74-K76 PolarHBondContact O-N 3.07Å
77	I	79.1	Confident	91.2	Very high	112 Å²	112	46.4 Å²	46.4	57%	0.574	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.1	10.8	176	65.4	168.4	0	0	0	113.6	A34 A35 A73 A74 R75	A34-I77 HydrophobicContact CB-CD1 3.92Å; A34-I77 HydrophobicContact CB-CG1 4.1Å; A35-I77 HydrophobicContact CB-CD1 4.05Å; A73-I77 PolarHBondContact O-N 2.84Å; A74-I77 WeakPolarHBondContact O-CG1 3.35Å; A74-I77 PolarHBondContact O-N 2.99Å; R75-I77 PolarHBondContact O-N 3.12Å; R75-I77 VanDerWaalsContact O-N 3.13Å
78	G	77.3	Confident	91.2	Very high	45 Å²	45	45.1 Å²	45.1	46%	0.464	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	110.4	2.1	171.7	0	0	0	0	0	115.9	A74 R75 H80	A74-G78 PolarHBondContact O-N 3.28Å; R75-G78 PolarHBondContact O-N 3.3Å; G78-H80 PolarHBondContact O-N 2.87Å
79	F	82.6	Confident	91.2	Very high	28 Å²	28	49.2 Å²	49.2	12%	0.123	26%	0.255	C	S	.	.			trans	-67.4	114.2	177	-168.2	-116.9	0	0	0	111.8	A34 V37 H39 L71 A74 R75 V81 P95 V97 Y126	A34-F79 HydrophobicContact CB-CB 3.52Å; A34-F79 HydrophobicContact CB-CD2 3.84Å; A34-F79 HydrophobicContact CB-CG 3.86Å; V37-F79 HydrophobicContact CG1-CD1 4.3Å; V37-F79 HydrophobicContact CG1-CE1 3.88Å; V37-F79 HydrophobicContact CG1-CZ 4.42Å; H39-F79 HydrophobicContact CB-CZ 4.19Å; L71-F79 HydrophobicContact CD1-CD1 4.03Å; L71-F79 HydrophobicContact CD1-CE1 3.87Å; A74-F79 HydrophobicContact CB-CB 3.86Å; A74-F79 HydrophobicContact CB-CD1 4.04Å; A74-F79 HydrophobicContact CB-CG 4.14Å; A74-F79 WeakPolarHBondContact O-CB 3.42Å; A74-F79 PolarHBondContact O-N 2.67Å; R75-F79 WeakPolarHBondContact CA-O 3.39Å; F79-V81 HydrophobicContact CE1-CG2 3.99Å; F79-V81 HydrophobicContact CE2-CG2 4.09Å; F79-V81 HydrophobicContact CZ-CG2 3.68Å; F79-P95 HydrophobicContact CD1-CB 4.43Å; F79-P95 HydrophobicContact CD1-CG 3.69Å; F79-P95 HydrophobicContact CE1-CG 3.93Å; F79-V97 VanDerWaalsContact O-CG2 3.25Å; F79-V97 WeakPolarHBondContact O-CG2 3.39Å; F79-Y126 AromaticContact CE1-CD1 3.92Å; F79-Y126 HydrophobicContact CE1-CD1 3.92Å; F79-Y126 AromaticContact CE1-CE1 3.78Å; F79-Y126 HydrophobicContact CE1-CE1 3.78Å; F79-Y126 HydrophobicContact CZ-CD1 4.44Å; F79-Y126 HydrophobicContact CZ-CE1 4.3Å
80	H	85.7	Confident	91.2	Very high	80 Å²	80	41 Å²	41	37%	0.37	22%	0.219	S	C	.	.			trans	-131	121.1	-174.8	178.3	61.1	0	0	0	110.5	G78 P95 V97 K98	G78-H80 PolarHBondContact O-N 2.87Å; H80-P95 PolarHBondContact ND1-O 3.2Å; H80-V97 HydrophobicContact CB-CB 4.12Å; H80-V97 HydrophobicContact CB-CG2 3.86Å; H80-V97 PolarHBondContact ND1-N 2.92Å; H80-K98 PolarHBondContact CE1-O 3.22Å
81	V	89	Confident	91.4	Very high	24 Å²	24	42.9 Å²	42.9	15%	0.145	23%	0.225	C	C	.	.			trans	-140.4	125.8	178.2	179.7	0	0	0	0	109.3	H39 F79 A83 P95 Y126	H39-V81 HydrophobicContact CB-CG1 4.28Å; H39-V81 HydrophobicContact CB-CG2 4.09Å; F79-V81 HydrophobicContact CE1-CG2 3.99Å; F79-V81 HydrophobicContact CE2-CG2 4.09Å; F79-V81 HydrophobicContact CZ-CG2 3.68Å; V81-A83 VanDerWaalsContact C-N 3.28Å; V81-A83 HydrophobicContact CG1-CB 3.87Å; V81-A83 PolarHBondContact O-N 2.83Å; V81-P95 HydrophobicContact CB-CG 4.35Å; V81-P95 PolarHBondContact N-O 2.86Å; V81-Y126 HydrophobicContact CB-CE1 4.17Å; V81-Y126 WeakPolarHBondContact CB-OH 3.18Å; V81-Y126 HydrophobicContact CG1-CE1 4.43Å; V81-Y126 WeakPolarHBondContact CG1-OH 3.04Å; V81-Y126 HydrophobicContact CG2-CE1 4.35Å
82	C	89.4	Confident	91.6	Very high	58 Å²	58	42.9 Å²	42.9	39%	0.392	23%	0.225	S	C	.	.			trans	-91.5	51	179.7	-150.9	0	0	0	0	112.8	K46 C103	K46-C82 PolarHBondContact NZ-O 3Å; C82-C103 VanDerWaalsContact CA-SG 3.54Å; C82-C103 HydrophobicContact CB-CB 4.12Å; C82-C103 WeakPolarHBondContact CB-SG 3.34Å; C82-C103 WeakPolarHBondContact SG-CA 3.27Å; C82-C103 WeakPolarHBondContact SG-CB 3.41Å; C82-C103 CovalentContact SG-SG 2.01Å; C82-C103 PolarHBondContact SG-SG 2.82Å
83	A	92	Very high	91.7	Very high	3 Å²	3	41.2 Å²	41.2	3%	0.025	22%	0.217	C	C	.	.	S	Bend	trans	-151.2	125.5	-175.2	0	0	0	0	0	110.6	Y47 V81 Y94 D124 Y126	Y47-A83 HydrophobicContact CE1-CB 4.28Å; Y47-A83 WeakPolarHBondContact OH-CA 3.42Å; V81-A83 VanDerWaalsContact C-N 3.28Å; V81-A83 HydrophobicContact CG1-CB 3.87Å; V81-A83 PolarHBondContact O-N 2.83Å; A83-Y94 WeakPolarHBondContact O-CB 3.31Å; A83-D124 WeakPolarHBondContact CB-OD2 3.49Å; A83-Y126 PolarHBondContact O-OH 3.08Å
84	A	96	Very high	91.9	Very high	3 Å²	3	39.7 Å²	39.7	3%	0.025	20%	0.202	C	C	.	.			trans	-73.2	134.1	178.8	0	0	0	0	0	111.1	Y47 V92 Y94 Y113 W123 D124	Y47-A84 VanDerWaalsContact CE1-O 3.28Å; Y47-A84 WeakPolarHBondContact CE1-O 3.36Å; Y47-A84 PolarHBondContact OH-N 3.17Å; A84-V92 HydrophobicContact CB-CG1 4.09Å; A84-Y94 HydrophobicContact CB-CD1 3.9Å; A84-Y94 HydrophobicContact CB-CE1 4.41Å; A84-Y113 HydrophobicContact CB-CD2 4.27Å; A84-Y113 HydrophobicContact CB-CE2 3.75Å; A84-W123 HydrophobicContact CB-CD2 4.5Å; A84-W123 HydrophobicContact CB-CE3 3.46Å; A84-W123 VanDerWaalsContact CB-CE3 3.46Å; A84-W123 HydrophobicContact CB-CZ3 3.5Å; A84-D124 PolarHBondContact O-N 3.1Å
85	G	97.6	Very high	92.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	157.9	-177	0	0	0	0	0	112.9	V92 G93 D124	G85-V92 WeakPolarHBondContact O-CA 3.27Å; G85-G93 PolarHBondContact N-O 2.86Å; G85-G93 PolarHBondContact O-N 2.86Å; G85-G93 VanDerWaalsContact O-N 3.16Å; G85-D124 CarbonylContact C-O 3.55Å; G85-D124 WeakPolarHBondContact CA-O 3.35Å
86	W	98.6	Very high	92.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	141.1	172.7	-69.8	113.4	0	0	0	111.5	L49 Y51 A54 L65 R91 V92 R116 E121 W123 D124 Y126	L49-W86 PolarHBondContact O-NE1 3.35Å; Y51-W86 HydrophobicContact CD2-CB 4.35Å; Y51-W86 AromaticContact CD2-CD2 3.89Å; Y51-W86 HydrophobicContact CD2-CD2 3.89Å; Y51-W86 AromaticContact CD2-CE3 3.67Å; Y51-W86 HydrophobicContact CD2-CE3 3.67Å; Y51-W86 HydrophobicContact CD2-CG 4.22Å; Y51-W86 HydrophobicContact CD2-CZ3 4.24Å; Y51-W86 HydrophobicContact CG-CE3 4.41Å; A54-W86 HydrophobicContact CB-CB 3.89Å; A54-W86 HydrophobicContact CB-CG 3.99Å; L65-W86 HydrophobicContact CD2-CB 4.11Å; W86-R91 CarbonylContact C-O 3.48Å; W86-V92 HydrophobicContact CD2-CG2 3.75Å; W86-V92 HydrophobicContact CE3-CG2 3.22Å; W86-V92 HydrophobicContact CH2-CG2 4Å; W86-V92 HydrophobicContact CZ2-CG2 4.45Å; W86-V92 HydrophobicContact CZ3-CG2 3.36Å; W86-R116 HydrophobicContact CH2-CB 3.62Å; W86-R116 HydrophobicContact CH2-CG 3.77Å; W86-R116 HydrophobicContact CZ3-CB 3.67Å; W86-R116 HydrophobicContact CZ3-CG 3.62Å; W86-E121 HydrophobicContact CH2-CB 4.35Å; W86-E121 HydrophobicContact CZ2-CB 4.03Å; W86-E121 VanDerWaalsContact CZ2-O 3.32Å; W86-E121 WeakPolarHBondContact CZ2-O 3.27Å; W86-W123 AromaticContact CE2-CD1 3.5Å; W86-W123 HydrophobicContact CG-CB 4.34Å; W86-W123 AromaticContact CZ2-CD1 3.48Å; W86-W123 VanDerWaalsContact CZ2-CD1 3.48Å; W86-W123 AromaticContact NE1-CD1 3.72Å; W86-D124 PolarHBondContact N-O 3.47Å; W86-Y126 PolarHBondContact O-N 3.44Å
87	M	98.4	Very high	92.5	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	170.4	171	-74.5	178.5	-84.5	0	0	109.5	A66 Y68 L71 G90 R91 I110	A66-M87 CarbonylContact O-C 3.6Å; A66-M87 WeakPolarHBondContact O-CA 3.35Å; A66-M87 VanDerWaalsContact O-CB 3.28Å; A66-M87 WeakPolarHBondContact O-CB 3.28Å; Y68-M87 HydrophobicContact CD2-SD 4.46Å; L71-M87 HydrophobicContact CB-SD 4.33Å; L71-M87 HydrophobicContact CD2-CE 4.27Å; L71-M87 HydrophobicContact CD2-CG 4.14Å; L71-M87 HydrophobicContact CD2-SD 3.46Å; L71-M87 WeakPolarHBondContact CD2-SD 3.38Å; M87-G90 VanDerWaalsContact O-CA 3.27Å; M87-G90 WeakPolarHBondContact O-CA 3.4Å; M87-G90 PolarHBondContact O-N 2.85Å; M87-R91 HydrophobicContact CB-CB 4.29Å; M87-R91 HydrophobicContact CE-CB 4.31Å; M87-R91 HydrophobicContact CE-CG 3.85Å; M87-R91 PolarHBondContact N-O 3.32Å; M87-R91 PolarHBondContact O-N 2.83Å; M87-I110 HydrophobicContact CE-CG2 4.43Å
88	A	97.9	Very high	92.8	Very high	25 Å²	25	35.5 Å²	35.5	21%	0.207	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-49.7	147.4	176.7	0	0	0	0	0	112.6	A66 T67 G90	A66-A88 PolarHBondContact O-N 2.97Å; T67-A88 HydrophobicContact CG2-CB 4.04Å; A88-G90 PolarHBondContact O-N 2.87Å
89	K	96.8	Very high	93.1	Very high	175 Å²	175	36.1 Å²	36.1	76%	0.761	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	62.3	16.1	-175	-48.6	-179.2	179.1	-175.6	0	112.9	Y51 R91 R119	Y51-K89 PolarHBondContact OH-N 3.41Å; K89-R91 VanDerWaalsContact C-N 3.34Å; K89-R91 PolarHBondContact O-N 3.4Å; K89-R119 PolarHBondContact O-NH2 3.45Å
90	G	97.4	Very high	92.9	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	53.3	46.7	-176.7	0	0	0	0	0	114	Y51 M87 A88 R116 R119	Y51-G90 VanDerWaalsContact CD2-CA 3.45Å; Y51-G90 PolarHBondContact OH-N 3.02Å; M87-G90 VanDerWaalsContact O-CA 3.27Å; M87-G90 WeakPolarHBondContact O-CA 3.4Å; M87-G90 PolarHBondContact O-N 2.85Å; A88-G90 PolarHBondContact O-N 2.87Å; G90-R116 PolarHBondContact O-N 2.88Å; G90-R119 PolarHBondContact O-NH1 3.39Å
91	R	98.3	Very high	92.4	Very high	79 Å²	79	37.8 Å²	37.8	30%	0.298	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	149.5	158.6	-173	174.5	-73	-98.4	0	108.9	W86 M87 K89 D112 G114 V115	W86-R91 CarbonylContact C-O 3.48Å; M87-R91 HydrophobicContact CB-CB 4.29Å; M87-R91 HydrophobicContact CE-CB 4.31Å; M87-R91 HydrophobicContact CE-CG 3.85Å; M87-R91 PolarHBondContact N-O 3.32Å; M87-R91 PolarHBondContact O-N 2.83Å; K89-R91 VanDerWaalsContact C-N 3.34Å; K89-R91 PolarHBondContact O-N 3.4Å; R91-D112 WeakPolarHBondContact CD-OD1 3.43Å; R91-D112 WeakPolarHBondContact CG-OD1 3.32Å; R91-D112 IonicContact CZ-OD2 3.77Å; R91-D112 IonicContact NH1-OD1 3.99Å; R91-D112 PolarHBondContact NH1-OD1 3.11Å; R91-D112 VanDerWaalsContact NH1-OD1 3.1Å; R91-D112 IonicContact NH1-OD2 2.92Å; R91-D112 PolarHBondContact NH1-OD2 2.85Å; R91-G114 WeakPolarHBondContact CA-O 3.42Å; R91-V115 HydrophobicContact CB-CG2 4.33Å
92	V	98.4	Very high	92	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	141.4	172.3	173.6	0	0	0	0	109.2	A84 G85 W86 Y113 G114 R116 W123	A84-V92 HydrophobicContact CB-CG1 4.09Å; G85-V92 WeakPolarHBondContact O-CA 3.27Å; W86-V92 HydrophobicContact CD2-CG2 3.75Å; W86-V92 HydrophobicContact CE3-CG2 3.22Å; W86-V92 HydrophobicContact CH2-CG2 4Å; W86-V92 HydrophobicContact CZ2-CG2 4.45Å; W86-V92 HydrophobicContact CZ3-CG2 3.36Å; V92-Y113 HydrophobicContact CG1-CD2 3.81Å; V92-Y113 HydrophobicContact CG1-CG 4.44Å; V92-Y113 WeakPolarHBondContact O-CA 3.42Å; V92-Y113 WeakPolarHBondContact O-CB 3.39Å; V92-Y113 PolarHBondContact O-N 2.94Å; V92-G114 PolarHBondContact N-O 3.17Å; V92-R116 HydrophobicContact CB-CG 4.04Å; V92-R116 HydrophobicContact CG2-CG 3.5Å; V92-W123 HydrophobicContact CG1-CD2 3.76Å; V92-W123 HydrophobicContact CG1-CE3 4.08Å; V92-W123 HydrophobicContact CG1-CG 4.05Å; V92-W123 HydrophobicContact CG1-CZ2 4.4Å; V92-W123 HydrophobicContact CG2-CD2 4.5Å; V92-W123 HydrophobicContact CG2-CG 4.11Å
93	G	97	Very high	91.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.4	-173.2	176	0	0	0	0	0	111.6	G85 I111 Y126	G85-G93 PolarHBondContact N-O 2.86Å; G85-G93 PolarHBondContact O-N 2.86Å; G85-G93 VanDerWaalsContact O-N 3.16Å; G93-I111 CarbonylContact C-O 3.47Å; G93-I111 WeakPolarHBondContact CA-O 2.89Å; G93-Y126 WeakPolarHBondContact O-CE2 3.02Å
94	Y	95.6	Very high	91	Very high	13 Å²	13	41.6 Å²	41.6	5%	0.051	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	148.6	178.6	57.6	-78.7	0	0	0	113.6	A83 A84 I96 I110 I111 Y113 Y126	A83-Y94 WeakPolarHBondContact O-CB 3.31Å; A84-Y94 HydrophobicContact CB-CD1 3.9Å; A84-Y94 HydrophobicContact CB-CE1 4.41Å; Y94-I96 HydrophobicContact CD2-CD1 3.72Å; Y94-I96 HydrophobicContact CD2-CG1 3.99Å; Y94-I96 HydrophobicContact CE2-CD1 3.72Å; Y94-I96 HydrophobicContact CE2-CG1 3.93Å; Y94-I110 WeakPolarHBondContact O-CA 3.39Å; Y94-I111 HydrophobicContact CD1-CB 3.97Å; Y94-I111 HydrophobicContact CD1-CG2 4.41Å; Y94-I111 HydrophobicContact CD2-CB 4.34Å; Y94-I111 HydrophobicContact CD2-CG1 4.3Å; Y94-I111 HydrophobicContact CE1-CB 3.53Å; Y94-I111 HydrophobicContact CE1-CG1 4.23Å; Y94-I111 HydrophobicContact CE1-CG2 3.58Å; Y94-I111 HydrophobicContact CE2-CB 3.97Å; Y94-I111 HydrophobicContact CE2-CG1 3.75Å; Y94-I111 HydrophobicContact CG-CB 4.34Å; Y94-I111 PolarHBondContact N-O 3.2Å; Y94-I111 PolarHBondContact O-N 2.82Å; Y94-Y113 HydrophobicContact CE1-CE1 4.01Å; Y94-Y113 HydrophobicContact CE1-CE2 4.38Å; Y94-Y113 AromaticContact CE1-CZ 3.69Å; Y94-Y113 WeakPolarHBondContact CE1-OH 3.02Å; Y94-Y126 WeakPolarHBondContact CB-OH 3.46Å
95	P	94.3	Very high	90.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	126.8	-173.3	34.7	-33.1	0	0	0	113.6	L71 R75 F79 H80 V81 I110 Y126	L71-P95 HydrophobicContact CD1-CB 4.23Å; L71-P95 HydrophobicContact CD1-CG 3.84Å; L71-P95 HydrophobicContact CG-CB 4.28Å; L71-P95 HydrophobicContact CG-CG 4.35Å; R75-P95 HydrophobicContact CB-CB 3.82Å; R75-P95 HydrophobicContact CG-CB 3.86Å; F79-P95 HydrophobicContact CD1-CB 4.43Å; F79-P95 HydrophobicContact CD1-CG 3.69Å; F79-P95 HydrophobicContact CE1-CG 3.93Å; H80-P95 PolarHBondContact ND1-O 3.2Å; V81-P95 HydrophobicContact CB-CG 4.35Å; V81-P95 PolarHBondContact N-O 2.86Å; P95-I110 HydrophobicContact CB-CD1 3.66Å; P95-Y126 VanDerWaalsContact CD-CZ 3.45Å; P95-Y126 WeakPolarHBondContact CD-OH 3.21Å; P95-Y126 HydrophobicContact CG-CE1 4.12Å
96	I	93.1	Very high	89.8	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	113.7	176.3	-57	-63.9	0	0	0	111.4	R75 Y94 P99 C103 K107 G109 I111	R75-I96 WeakPolarHBondContact CD-O 3.36Å; Y94-I96 HydrophobicContact CD2-CD1 3.72Å; Y94-I96 HydrophobicContact CD2-CG1 3.99Å; Y94-I96 HydrophobicContact CE2-CD1 3.72Å; Y94-I96 HydrophobicContact CE2-CG1 3.93Å; I96-P99 HydrophobicContact CG2-CB 4.11Å; I96-C103 WeakPolarHBondContact CD1-SG 3.22Å; I96-K107 VanDerWaalsContact CG2-O 3.25Å; I96-K107 WeakPolarHBondContact CG2-O 3.46Å; I96-G109 PolarHBondContact N-O 2.85Å; I96-G109 PolarHBondContact O-N 2.97Å; I96-I111 HydrophobicContact CG1-CD1 4.38Å; I96-I111 HydrophobicContact CG1-CG1 3.72Å
97	V	87.9	Confident	89.3	Confident	43 Å²	43	58.3 Å²	58.3	26%	0.261	31%	0.312	S	S	.	.	S	Bend	trans	-89.2	-50.7	173.6	-178	0	0	0	0	110.3	R75 F79 H80 T108	R75-V97 HydrophobicContact CG-CG2 3.81Å; R75-V97 WeakPolarHBondContact O-CG2 3.24Å; F79-V97 VanDerWaalsContact O-CG2 3.25Å; F79-V97 WeakPolarHBondContact O-CG2 3.39Å; H80-V97 HydrophobicContact CB-CB 4.12Å; H80-V97 HydrophobicContact CB-CG2 3.86Å; H80-V97 PolarHBondContact ND1-N 2.92Å; V97-T108 WeakPolarHBondContact O-CG2 3.3Å
98	K	86.5	Confident	88.9	Confident	169 Å²	169	62.5 Å²	62.5	74%	0.735	34%	0.337	S	S	*	.	S	Bend	trans	-119.4	116.8	176.1	-65.3	-176.6	-178.7	179.5	0	108.3	H80	H80-K98 PolarHBondContact CE1-O 3.22Å
99	P	83.4	Confident	88.7	Confident	57 Å²	57	61.9 Å²	61.9	37%	0.37	33%	0.334	S	S	.	.			trans	-77.4	143.8	179.4	31.2	-28.6	0	0	0	109.9	I96 C103 T108	I96-P99 HydrophobicContact CG2-CB 4.11Å; P99-C103 WeakPolarHBondContact CA-O 3.48Å; P99-T108 HydrophobicContact CG-CG2 4.02Å
100	G	77.9	Confident	88.7	Confident	25 Å²	25	54.3 Å²	54.3	26%	0.258	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-128.8	172.7	171.4	0	0	0	0	0	111.1	N102 C103	G100-N102 PolarHBondContact O-N 2.61Å; G100-C103 PolarHBondContact N-O 2.81Å; G100-C103 CarbonylContact O-C 3.48Å; G100-C103 PolarHBondContact O-N 2.82Å; G100-C103 VanDerWaalsContact O-N 3.12Å
101	P	75.4	Confident	88.6	Confident	118 Å²	118	55.7 Å²	55.7	77%	0.766	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-33.7	-178.5	20.5	-30.4	0	0	0	112.7
102	N	80.2	Confident	88.5	Confident	150 Å²	150	54.7 Å²	54.7	80%	0.802	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	2.4	-179.9	-59.8	-25.9	0	0	0	113.1	G100	G100-N102 PolarHBondContact O-N 2.61Å
103	C	80.9	Confident	88.4	Confident	16 Å²	16	59.2 Å²	59.2	11%	0.108	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-145.5	110.9	-171.4	-159.3	0	0	0	0	112.5	C82 I96 P99 G100 F105	C82-C103 VanDerWaalsContact CA-SG 3.54Å; C82-C103 HydrophobicContact CB-CB 4.12Å; C82-C103 WeakPolarHBondContact CB-SG 3.34Å; C82-C103 WeakPolarHBondContact SG-CA 3.27Å; C82-C103 WeakPolarHBondContact SG-CB 3.41Å; C82-C103 CovalentContact SG-SG 2.01Å; C82-C103 PolarHBondContact SG-SG 2.82Å; I96-C103 WeakPolarHBondContact CD1-SG 3.22Å; P99-C103 WeakPolarHBondContact CA-O 3.48Å; G100-C103 PolarHBondContact N-O 2.81Å; G100-C103 CarbonylContact O-C 3.48Å; G100-C103 PolarHBondContact O-N 2.82Å; G100-C103 VanDerWaalsContact O-N 3.12Å; C103-F105 PolarHBondContact O-N 2.78Å
104	G	80.2	Confident	88.4	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	80	-6.6	-178	0	0	0	0	0	114.8	G106 K107	G104-G106 VanDerWaalsContact C-N 3.28Å; G104-G106 PolarHBondContact O-N 3.15Å; G104-K107 WeakPolarHBondContact O-CA 3.43Å; G104-K107 WeakPolarHBondContact O-CB 3.45Å; G104-K107 PolarHBondContact O-N 2.66Å
105	F	83.6	Confident	88.5	Confident	146 Å²	146	62.9 Å²	62.9	64%	0.64	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	45.7	173.8	-55.4	-78.8	0	0	0	112.9	C103 K107	C103-F105 PolarHBondContact O-N 2.78Å; F105-K107 VanDerWaalsContact C-N 3.26Å; F105-K107 PolarHBondContact O-N 3.15Å
106	G	84.7	Confident	88.6	Confident	63 Å²	63	66.7 Å²	66.7	65%	0.649	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	1.3	-177.8	0	0	0	0	0	115.3	G104	G104-G106 VanDerWaalsContact C-N 3.28Å; G104-G106 PolarHBondContact O-N 3.15Å
107	K	87.2	Confident	88.7	Confident	145 Å²	145	74.8 Å²	74.8	63%	0.63	41%	0.411	S	S	*	.			trans	-108.7	136.8	-179.7	-58.6	-177.6	-178.6	179.5	0	111.9	I96 G104 F105 I111	I96-K107 VanDerWaalsContact CG2-O 3.25Å; I96-K107 WeakPolarHBondContact CG2-O 3.46Å; G104-K107 WeakPolarHBondContact O-CA 3.43Å; G104-K107 WeakPolarHBondContact O-CB 3.45Å; G104-K107 PolarHBondContact O-N 2.66Å; F105-K107 VanDerWaalsContact C-N 3.26Å; F105-K107 PolarHBondContact O-N 3.15Å; K107-I111 HydrophobicContact CB-CD1 4.07Å
108	T	91.1	Very high	89.2	Confident	88 Å²	88	76.8 Å²	76.8	54%	0.54	42%	0.42	S	S	.	.			trans	-92.9	164.5	166.8	54.8	0	0	0	0	110.6	V97 P99	V97-T108 WeakPolarHBondContact O-CG2 3.3Å; P99-T108 HydrophobicContact CG-CG2 4.02Å
109	G	93.8	Very high	89.6	Confident	13 Å²	13	73.1 Å²	73.1	13%	0.134	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	105.7	-168.3	-178.3	0	0	0	0	0	112.3	R75 I96	R75-G109 VanDerWaalsContact CD-C 3.48Å; R75-G109 VanDerWaalsContact CD-CA 3.47Å; I96-G109 PolarHBondContact N-O 2.85Å; I96-G109 PolarHBondContact O-N 2.97Å
110	I	95.9	Very high	90.3	Very high	15 Å²	15	74.4 Å²	74.4	8%	0.077	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	117.4	168.9	-52.3	-51.4	0	0	0	108.3	Y68 L71 E72 R75 M87 Y94 P95 D112	Y68-I110 HydrophobicContact CD2-CG2 4.25Å; Y68-I110 HydrophobicContact CE1-CG1 4.41Å; Y68-I110 HydrophobicContact CE2-CB 3.68Å; Y68-I110 HydrophobicContact CE2-CG1 3.99Å; Y68-I110 HydrophobicContact CE2-CG2 3.7Å; L71-I110 HydrophobicContact CB-CD1 4.37Å; L71-I110 HydrophobicContact CD2-CD1 3.91Å; L71-I110 HydrophobicContact CD2-CG2 4.34Å; L71-I110 HydrophobicContact CG-CD1 3.71Å; E72-I110 HydrophobicContact CB-CG1 4.22Å; E72-I110 WeakPolarHBondContact OE2-CG1 3.42Å; R75-I110 HydrophobicContact CB-CD1 4.35Å; M87-I110 HydrophobicContact CE-CG2 4.43Å; Y94-I110 WeakPolarHBondContact O-CA 3.39Å; P95-I110 HydrophobicContact CB-CD1 3.66Å; I110-D112 HydrophobicContact CG2-CB 4.42Å; I110-D112 PolarHBondContact O-N 3.48Å; I110-D112 VanDerWaalsContact O-N 3.12Å
111	I	95.6	Very high	91.2	Very high	29 Å²	29	75.1 Å²	75.1	15%	0.149	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	104	165.7	-51.8	-57.8	0	0	0	106.6	G93 Y94 I96 K107 Y113	G93-I111 CarbonylContact C-O 3.47Å; G93-I111 WeakPolarHBondContact CA-O 2.89Å; Y94-I111 HydrophobicContact CD1-CB 3.97Å; Y94-I111 HydrophobicContact CD1-CG2 4.41Å; Y94-I111 HydrophobicContact CD2-CB 4.34Å; Y94-I111 HydrophobicContact CD2-CG1 4.3Å; Y94-I111 HydrophobicContact CE1-CB 3.53Å; Y94-I111 HydrophobicContact CE1-CG1 4.23Å; Y94-I111 HydrophobicContact CE1-CG2 3.58Å; Y94-I111 HydrophobicContact CE2-CB 3.97Å; Y94-I111 HydrophobicContact CE2-CG1 3.75Å; Y94-I111 HydrophobicContact CG-CB 4.34Å; Y94-I111 PolarHBondContact N-O 3.2Å; Y94-I111 PolarHBondContact O-N 2.82Å; I96-I111 HydrophobicContact CG1-CD1 4.38Å; I96-I111 HydrophobicContact CG1-CG1 3.72Å; K107-I111 HydrophobicContact CB-CD1 4.07Å; I111-Y113 HydrophobicContact CG2-CD1 4.34Å; I111-Y113 HydrophobicContact CG2-CE1 3.73Å
112	D	95.5	Very high	92.2	Very high	58 Å²	58	75.7 Å²	75.7	31%	0.31	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	117.8	-166.8	-169.9	-8.5	0	0	0	110.8	Y68 R91 I110 G114	Y68-D112 HydrophobicContact CE2-CB 4.22Å; Y68-D112 VanDerWaalsContact CE2-OD2 3.26Å; Y68-D112 WeakPolarHBondContact CE2-OD2 3.44Å; R91-D112 WeakPolarHBondContact CD-OD1 3.43Å; R91-D112 WeakPolarHBondContact CG-OD1 3.32Å; R91-D112 IonicContact CZ-OD2 3.77Å; R91-D112 IonicContact NH1-OD1 3.99Å; R91-D112 PolarHBondContact NH1-OD1 3.11Å; R91-D112 VanDerWaalsContact NH1-OD1 3.1Å; R91-D112 IonicContact NH1-OD2 2.92Å; R91-D112 PolarHBondContact NH1-OD2 2.85Å; I110-D112 HydrophobicContact CG2-CB 4.42Å; I110-D112 PolarHBondContact O-N 3.48Å; I110-D112 VanDerWaalsContact O-N 3.12Å; D112-G114 VanDerWaalsContact C-N 3.32Å; D112-G114 WeakPolarHBondContact OD1-CA 3.26Å; D112-G114 PolarHBondContact OD1-N 3.08Å
113	Y	95.9	Very high	93.1	Very high	95 Å²	95	71 Å²	71	37%	0.373	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	3.7	177.1	-62.9	-10.3	0	0	0	112.5	A84 V92 Y94 I111 W123	A84-Y113 HydrophobicContact CB-CD2 4.27Å; A84-Y113 HydrophobicContact CB-CE2 3.75Å; V92-Y113 HydrophobicContact CG1-CD2 3.81Å; V92-Y113 HydrophobicContact CG1-CG 4.44Å; V92-Y113 WeakPolarHBondContact O-CA 3.42Å; V92-Y113 WeakPolarHBondContact O-CB 3.39Å; V92-Y113 PolarHBondContact O-N 2.94Å; Y94-Y113 HydrophobicContact CE1-CE1 4.01Å; Y94-Y113 HydrophobicContact CE1-CE2 4.38Å; Y94-Y113 AromaticContact CE1-CZ 3.69Å; Y94-Y113 WeakPolarHBondContact CE1-OH 3.02Å; I111-Y113 HydrophobicContact CG2-CD1 4.34Å; I111-Y113 HydrophobicContact CG2-CE1 3.73Å; Y113-W123 AromaticContact CD2-CH2 3.97Å; Y113-W123 HydrophobicContact CD2-CH2 3.97Å; Y113-W123 HydrophobicContact CD2-CZ2 4.46Å; Y113-W123 HydrophobicContact CD2-CZ3 4.31Å; Y113-W123 AromaticContact CE2-CH2 3.9Å; Y113-W123 HydrophobicContact CE2-CH2 3.9Å; Y113-W123 AromaticContact CE2-CZ3 4Å; Y113-W123 HydrophobicContact CE2-CZ3 4Å
114	G	97.2	Very high	93.8	Very high	20 Å²	20	70.2 Å²	70.2	21%	0.206	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	76.9	-174.9	177.8	0	0	0	0	0	113.6	R91 V92 D112	R91-G114 WeakPolarHBondContact CA-O 3.42Å; V92-G114 PolarHBondContact N-O 3.17Å; D112-G114 VanDerWaalsContact C-N 3.32Å; D112-G114 WeakPolarHBondContact OD1-CA 3.26Å; D112-G114 PolarHBondContact OD1-N 3.08Å
115	V	97.6	Very high	94.6	Very high	71 Å²	71	70.2 Å²	70.2	43%	0.43	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	123.4	175.6	179.3	0	0	0	0	109	R91	R91-V115 HydrophobicContact CB-CG2 4.33Å
116	R	97.8	Very high	95.1	Very high	80 Å²	80	63.3 Å²	63.3	30%	0.302	33%	0.331	S	S	.	.			trans	-86.6	124.7	-179.9	-51.1	-56.4	-60.1	166.7	3.6	110.5	W86 G90 V92 R119 E121	W86-R116 HydrophobicContact CH2-CB 3.62Å; W86-R116 HydrophobicContact CH2-CG 3.77Å; W86-R116 HydrophobicContact CZ3-CB 3.67Å; W86-R116 HydrophobicContact CZ3-CG 3.62Å; G90-R116 PolarHBondContact O-N 2.88Å; V92-R116 HydrophobicContact CB-CG 4.04Å; V92-R116 HydrophobicContact CG2-CG 3.5Å; R116-R119 PolarHBondContact O-NE 2.89Å; R116-R119 PolarHBondContact O-NH1 3.27Å; R116-E121 IonicContact CZ-OE1 3.4Å; R116-E121 IonicContact CZ-OE2 2.77Å; R116-E121 IonicContact NE-OE1 3.19Å; R116-E121 PolarHBondContact NE-OE1 3.32Å; R116-E121 IonicContact NE-OE2 2.8Å; R116-E121 PolarHBondContact NE-OE2 2.81Å; R116-E121 IonicContact NH2-OE1 2.74Å; R116-E121 PolarHBondContact NH2-OE1 2.75Å; R116-E121 IonicContact NH2-OE2 3.34Å; R116-E121 PolarHBondContact NH2-OE2 2.87Å
117	L	95.3	Very high	95.5	Very high	169 Å²	169	60.3 Å²	60.3	89%	0.885	30%	0.3	S	S	*	.	S	Bend	trans	-72.1	-38	176.1	-61.9	177.7	0	0	0	111.5	R119	L117-R119 PolarHBondContact O-N 2.85Å
118	N	96.8	Very high	95.6	Very high	86 Å²	86	55.8 Å²	55.8	46%	0.46	28%	0.279	S	S	.	.			trans	-81.1	101.9	174.5	-177.4	3.4	0	0	0	110.4	S120 E121	N118-S120 PolarHBondContact O-N 3.45Å; N118-S120 WeakPolarHBondContact OD1-CB 3.31Å; N118-S120 PolarHBondContact OD1-N 2.75Å; N118-E121 HydrophobicContact CB-CG 4.01Å; N118-E121 WeakPolarHBondContact O-CG 3.46Å; N118-E121 PolarHBondContact O-N 2.93Å
119	R	96	Very high	95.2	Very high	92 Å²	92	51.6 Å²	51.6	35%	0.347	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-7.3	179.9	-58.8	-54.3	-169.1	-172.7	10.2	114.2	Y51 K89 G90 R116 L117	Y51-R119 PolarHBondContact N-O 2.93Å; Y51-R119 VanDerWaalsContact N-O 3.08Å; K89-R119 PolarHBondContact O-NH2 3.45Å; G90-R119 PolarHBondContact O-NH1 3.39Å; R116-R119 PolarHBondContact O-NE 2.89Å; R116-R119 PolarHBondContact O-NH1 3.27Å; L117-R119 PolarHBondContact O-N 2.85Å
120	S	97.3	Very high	94.3	Very high	84 Å²	84	54.2 Å²	54.2	59%	0.587	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-3.7	176.8	-52.6	0	0	0	0	113.2	N118	N118-S120 PolarHBondContact O-N 3.45Å; N118-S120 WeakPolarHBondContact OD1-CB 3.31Å; N118-S120 PolarHBondContact OD1-N 2.75Å
121	E	97.2	Very high	93	Very high	39 Å²	39	56.5 Å²	56.5	18%	0.182	28%	0.279	C	S	.	.			trans	-55.9	149.3	167.1	-69.2	178.1	-157.1	0	0	110.3	T50 W86 R116 N118 W123	T50-E121 WeakPolarHBondContact CA-O 3.37Å; W86-E121 HydrophobicContact CH2-CB 4.35Å; W86-E121 HydrophobicContact CZ2-CB 4.03Å; W86-E121 VanDerWaalsContact CZ2-O 3.32Å; W86-E121 WeakPolarHBondContact CZ2-O 3.27Å; R116-E121 IonicContact CZ-OE1 3.4Å; R116-E121 IonicContact CZ-OE2 2.77Å; R116-E121 IonicContact NE-OE1 3.19Å; R116-E121 PolarHBondContact NE-OE1 3.32Å; R116-E121 IonicContact NE-OE2 2.8Å; R116-E121 PolarHBondContact NE-OE2 2.81Å; R116-E121 IonicContact NH2-OE1 2.74Å; R116-E121 PolarHBondContact NH2-OE1 2.75Å; R116-E121 IonicContact NH2-OE2 3.34Å; R116-E121 PolarHBondContact NH2-OE2 2.87Å; N118-E121 HydrophobicContact CB-CG 4.01Å; N118-E121 WeakPolarHBondContact O-CG 3.46Å; N118-E121 PolarHBondContact O-N 2.93Å; E121-W123 PolarHBondContact OE2-NE1 2.97Å; E121-W123 VanDerWaalsContact OE2-NE1 3.1Å
122	R	97.3	Very high	91.4	Very high	130 Å²	130	55.9 Å²	55.9	49%	0.491	28%	0.278	S	S	.	.			trans	-111.3	125.5	-176.9	-63.2	-171.6	179.3	-98.5	-0.4	111.2	Y47 K48 L49 T50 E53	Y47-R122 VanDerWaalsContact O-CB 3.26Å; Y47-R122 WeakPolarHBondContact O-CB 3.45Å; K48-R122 PolarHBondContact O-NH1 3.22Å; L49-R122 WeakPolarHBondContact O-CA 3.36Å; T50-R122 HydrophobicContact CG2-CG 4.48Å; E53-R122 IonicContact OE1-NH1 3.46Å; E53-R122 IonicContact OE2-NH1 3.1Å
123	W	97.6	Very high	89.7	Confident	52 Å²	52	61.9 Å²	61.9	20%	0.197	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-141.5	179.5	-179.5	-59.5	97.7	0	0	0	109.2	Y47 L49 A84 W86 V92 Y113 E121	Y47-W123 HydrophobicContact CD1-CE3 4.44Å; L49-W123 WeakPolarHBondContact CB-O 3.36Å; L49-W123 PolarHBondContact N-O 3.44Å; L49-W123 PolarHBondContact O-N 3.08Å; A84-W123 HydrophobicContact CB-CD2 4.5Å; A84-W123 HydrophobicContact CB-CE3 3.46Å; A84-W123 VanDerWaalsContact CB-CE3 3.46Å; A84-W123 HydrophobicContact CB-CZ3 3.5Å; W86-W123 AromaticContact CE2-CD1 3.5Å; W86-W123 HydrophobicContact CG-CB 4.34Å; W86-W123 AromaticContact CZ2-CD1 3.48Å; W86-W123 VanDerWaalsContact CZ2-CD1 3.48Å; W86-W123 AromaticContact NE1-CD1 3.72Å; V92-W123 HydrophobicContact CG1-CD2 3.76Å; V92-W123 HydrophobicContact CG1-CE3 4.08Å; V92-W123 HydrophobicContact CG1-CG 4.05Å; V92-W123 HydrophobicContact CG1-CZ2 4.4Å; V92-W123 HydrophobicContact CG2-CD2 4.5Å; V92-W123 HydrophobicContact CG2-CG 4.11Å; Y113-W123 AromaticContact CD2-CH2 3.97Å; Y113-W123 HydrophobicContact CD2-CH2 3.97Å; Y113-W123 HydrophobicContact CD2-CZ2 4.46Å; Y113-W123 HydrophobicContact CD2-CZ3 4.31Å; Y113-W123 AromaticContact CE2-CH2 3.9Å; Y113-W123 HydrophobicContact CE2-CH2 3.9Å; Y113-W123 AromaticContact CE2-CZ3 4Å; Y113-W123 HydrophobicContact CE2-CZ3 4Å; E121-W123 PolarHBondContact OE2-NE1 2.97Å; E121-W123 VanDerWaalsContact OE2-NE1 3.1Å
124	D	96.6	Very high	88.2	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-168.8	165.2	-63.6	-25.5	0	0	0	109.3	H39 R40 K46 Y47 A83 A84 G85 W86	H39-D124 IonicContact CE1-OD2 3.15Å; H39-D124 PolarHBondContact CE1-OD2 3.39Å; H39-D124 WeakPolarHBondContact NE2-CB 3.15Å; H39-D124 IonicContact NE2-OD2 3.24Å; H39-D124 PolarHBondContact NE2-OD2 3.22Å; R40-D124 CarbonylContact O-C 3.54Å; R40-D124 WeakPolarHBondContact O-CB 3.41Å; K46-D124 WeakPolarHBondContact CA-OD1 2.86Å; K46-D124 WeakPolarHBondContact CE-OD2 3.34Å; K46-D124 WeakPolarHBondContact CG-OD2 3.43Å; Y47-D124 HydrophobicContact CD1-CB 4.48Å; Y47-D124 VanDerWaalsContact CE1-OD2 3.3Å; Y47-D124 WeakPolarHBondContact CE1-OD2 3.37Å; Y47-D124 PolarHBondContact N-OD1 3.02Å; A83-D124 WeakPolarHBondContact CB-OD2 3.49Å; A84-D124 PolarHBondContact O-N 3.1Å; G85-D124 CarbonylContact C-O 3.55Å; G85-D124 WeakPolarHBondContact CA-O 3.35Å; W86-D124 PolarHBondContact N-O 3.47Å
125	A	95.9	Very high	87.2	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	139.9	177.3	0	0	0	0	0	111.3	H39 R40 L49 A54 L65	H39-A125 CarbonylContact C-O 3.59Å; H39-A125 WeakPolarHBondContact CA-O 3.41Å; R40-A125 HydrophobicContact CB-CB 4.31Å; R40-A125 PolarHBondContact N-O 3.15Å; R40-A125 PolarHBondContact O-N 2.9Å; L49-A125 HydrophobicContact CD1-CB 4.13Å; A54-A125 HydrophobicContact CB-CB 3.81Å; L65-A125 HydrophobicContact CD2-CB 4.15Å
126	Y	95.8	Very high	86.3	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	113.4	162.7	-71.3	-77.5	0	0	0	108.2	Y38 H39 L65 A66 L71 F79 V81 A83 W86 G93 Y94 P95	Y38-Y126 WeakPolarHBondContact O-CA 3.23Å; H39-Y126 HydrophobicContact CB-CD1 4.28Å; H39-Y126 HydrophobicContact CB-CE1 4.01Å; H39-Y126 AromaticContact CD2-CE1 3.63Å; H39-Y126 AromaticContact CD2-CZ 3.61Å; L65-Y126 CarbonylContact C-O 3.48Å; L65-Y126 WeakPolarHBondContact CA-O 3.18Å; A66-Y126 WeakPolarHBondContact CB-O 3.1Å; A66-Y126 PolarHBondContact N-O 3.02Å; L71-Y126 HydrophobicContact CD1-CD1 3.5Å; L71-Y126 HydrophobicContact CD1-CE1 3.93Å; L71-Y126 HydrophobicContact CD1-CG 3.87Å; L71-Y126 HydrophobicContact CD2-CD1 4.47Å; L71-Y126 HydrophobicContact CD2-CD2 4.16Å; L71-Y126 HydrophobicContact CD2-CG 4.14Å; F79-Y126 AromaticContact CE1-CD1 3.92Å; F79-Y126 HydrophobicContact CE1-CD1 3.92Å; F79-Y126 AromaticContact CE1-CE1 3.78Å; F79-Y126 HydrophobicContact CE1-CE1 3.78Å; F79-Y126 HydrophobicContact CZ-CD1 4.44Å; F79-Y126 HydrophobicContact CZ-CE1 4.3Å; V81-Y126 HydrophobicContact CB-CE1 4.17Å; V81-Y126 WeakPolarHBondContact CB-OH 3.18Å; V81-Y126 HydrophobicContact CG1-CE1 4.43Å; V81-Y126 WeakPolarHBondContact CG1-OH 3.04Å; V81-Y126 HydrophobicContact CG2-CE1 4.35Å; A83-Y126 PolarHBondContact O-OH 3.08Å; W86-Y126 PolarHBondContact O-N 3.44Å; G93-Y126 WeakPolarHBondContact O-CE2 3.02Å; Y94-Y126 WeakPolarHBondContact CB-OH 3.46Å; P95-Y126 VanDerWaalsContact CD-CZ 3.45Å; P95-Y126 WeakPolarHBondContact CD-OH 3.21Å; P95-Y126 HydrophobicContact CG-CE1 4.12Å
127	C	91.6	Very high	85.1	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	156.2	179.5	-57.1	0	0	0	0	110.1	V37 Y38 C58 H64	V37-C127 VanDerWaalsContact CA-O 3.28Å; V37-C127 WeakPolarHBondContact CA-O 3.26Å; Y38-C127 HydrophobicContact CD1-CB 4.09Å; Y38-C127 HydrophobicContact CD2-CB 3.92Å; Y38-C127 HydrophobicContact CE1-CB 3.57Å; Y38-C127 HydrophobicContact CE2-CB 3.35Å; Y38-C127 HydrophobicContact CG-CB 4.26Å; Y38-C127 PolarHBondContact N-O 3.42Å; Y38-C127 PolarHBondContact O-N 3.24Å; Y38-C127 WeakPolarHBondContact OH-CB 3.36Å; C58-C127 WeakPolarHBondContact CA-SG 3.08Å; C58-C127 HydrophobicContact CB-CB 3.69Å; C58-C127 WeakPolarHBondContact CB-SG 3.42Å; C58-C127 WeakPolarHBondContact SG-CA 3Å; C58-C127 WeakPolarHBondContact SG-CB 3.34Å; C58-C127 CovalentContact SG-SG 2.03Å; C58-C127 PolarHBondContact SG-SG 2.71Å; H64-C127 CarbonylContact O-C 3.52Å; H64-C127 WeakPolarHBondContact O-CA 3.31Å
128	Y	89.8	Confident	84.1	Confident	50 Å²	50	49.7 Å²	49.7	20%	0.196	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	128	172.6	174.4	-89.3	0	0	0	108.8	A35 G36 V37 G63 H64 Q70 P130	A35-Y128 WeakPolarHBondContact O-CE2 3.32Å; G36-Y128 VanDerWaalsContact O-CA 3.31Å; G36-Y128 WeakPolarHBondContact O-CA 3.45Å; V37-Y128 HydrophobicContact CG2-CD2 3.78Å; G63-Y128 CarbonylContact C-O 3.6Å; G63-Y128 WeakPolarHBondContact CA-O 3.44Å; H64-Y128 AromaticContact CE1-CD1 3.25Å; H64-Y128 WeakPolarHBondContact CE1-CD1 3.43Å; H64-Y128 AromaticContact CE1-CG 3.91Å; H64-Y128 PolarHBondContact N-O 2.89Å; H64-Y128 AromaticContact ND1-CD1 3.89Å; H64-Y128 PolarHBondContact ND1-O 3.41Å; H64-Y128 PolarHBondContact O-N 2.77Å; Q70-Y128 HydrophobicContact CB-CD2 3.93Å; Q70-Y128 HydrophobicContact CB-CE2 4.3Å; Q70-Y128 HydrophobicContact CG-CD2 3.76Å; Q70-Y128 HydrophobicContact CG-CE2 3.75Å; Q70-Y128 HydrophobicContact CG-CG 4.27Å; Q70-Y128 VanDerWaalsContact NE2-CD1 3.27Å; Q70-Y128 VanDerWaalsContact NE2-CZ 3.32Å; Y128-P130 HydrophobicContact CE1-CB 3.78Å; Y128-P130 HydrophobicContact CE1-CG 4.35Å
129	N	83.3	Confident	83.5	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.23	C	C	.	.			trans	-115.4	119.5	170	179.9	-35.5	0	0	0	108	R33 G36 Y38 E61 G62 H131 A132 I160	R33-N129 VanDerWaalsContact NH1-CG 3.25Å; R33-N129 PolarHBondContact NH1-ND2 3.49Å; R33-N129 PolarHBondContact NH2-ND2 3.43Å; G36-N129 WeakPolarHBondContact CA-O 3.49Å; G36-N129 PolarHBondContact O-N 3.5Å; Y38-N129 HydrophobicContact CE1-CB 4.13Å; E61-N129 PolarHBondContact O-ND2 2.92Å; G62-N129 VanDerWaalsContact O-CG 3.31Å; G62-N129 PolarHBondContact O-ND2 2.99Å; G62-N129 VanDerWaalsContact O-ND2 3.12Å; N129-H131 VanDerWaalsContact C-N 3.27Å; N129-H131 PolarHBondContact O-N 3.48Å; N129-H131 WeakPolarHBondContact OD1-CA 3.32Å; N129-H131 WeakPolarHBondContact OD1-CB 3.48Å; N129-H131 PolarHBondContact OD1-N 3.29Å; N129-A132 HydrophobicContact CB-CB 4.49Å; N129-A132 WeakPolarHBondContact O-CB 3.36Å; N129-A132 PolarHBondContact O-N 2.83Å; N129-A132 PolarHBondContact OD1-N 3.13Å; N129-I160 PolarHBondContact ND2-O 2.92Å
130	P	74.4	Confident	83	Confident	68 Å²	68	45.1 Å²	45.1	44%	0.442	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-65.4	-28.8	-179.6	22.7	-28.7	0	0	0	113.3	Y128 A132	Y128-P130 HydrophobicContact CE1-CB 3.78Å; Y128-P130 HydrophobicContact CE1-CG 4.35Å; P130-A132 VanDerWaalsContact C-N 3.28Å; P130-A132 PolarHBondContact O-N 2.9Å
131	H	68.8	Low	82.6	Confident	64 Å²	64	43.3 Å²	43.3	30%	0.296	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-85.8	3.1	-179.4	-55	-71.8	0	0	0	113.3	N129 K133 E134 C135	N129-H131 VanDerWaalsContact C-N 3.27Å; N129-H131 PolarHBondContact O-N 3.48Å; N129-H131 WeakPolarHBondContact OD1-CA 3.32Å; N129-H131 WeakPolarHBondContact OD1-CB 3.48Å; N129-H131 PolarHBondContact OD1-N 3.29Å; H131-K133 PolarHBondContact O-N 3.48Å; H131-E134 IonicContact ND1-OE2 3.84Å; H131-E134 PolarHBondContact O-N 2.99Å; H131-C135 PolarHBondContact O-N 2.89Å
132	A	61.8	Low	82.5	Confident	15 Å²	15	45.2 Å²	45.2	12%	0.124	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-55.1	-20.7	178.8	0	0	0	0	0	116.2	R33 G36 N129 P130	R33-A132 HydrophobicContact CB-CB 3.75Å; R33-A132 HydrophobicContact CG-CB 4.07Å; G36-A132 VanDerWaalsContact CA-CB 3.44Å; N129-A132 HydrophobicContact CB-CB 4.49Å; N129-A132 WeakPolarHBondContact O-CB 3.36Å; N129-A132 PolarHBondContact O-N 2.83Å; N129-A132 PolarHBondContact OD1-N 3.13Å; P130-A132 VanDerWaalsContact C-N 3.28Å; P130-A132 PolarHBondContact O-N 2.9Å
133	K	58.8	Low	82.5	Confident	184 Å²	184	44.9 Å²	44.9	80%	0.8	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-81.6	-22.4	174.9	-72.7	-171.4	177.2	-176.4	0	112.9	H131	H131-K133 PolarHBondContact O-N 3.48Å
134	E	66.1	Low	82.4	Confident	124 Å²	124	47.1 Å²	47.1	58%	0.579	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-30	-173.4	-69.6	163.3	-165.9	0	0	111.1	H131 P149	H131-E134 IonicContact ND1-OE2 3.84Å; H131-E134 PolarHBondContact O-N 2.99Å; E134-P149 HydrophobicContact CB-CB 4.28Å
135	C	75.8	Confident	82.4	Confident	4 Å²	4	50.7 Å²	50.7	3%	0.027	26%	0.259	C	S	.	.	S	Bend	trans	-147.2	141.7	173.9	70.6	0	0	0	0	115.7	H131 P149 C161 W163	H131-C135 PolarHBondContact O-N 2.89Å; C135-P149 HydrophobicContact CB-CG 3.7Å; C135-C161 HydrophobicContact CB-CB 3.42Å; C135-C161 VanDerWaalsContact CB-CB 3.42Å; C135-C161 WeakPolarHBondContact CB-SG 3.47Å; C135-C161 WeakPolarHBondContact SG-CB 3.31Å; C135-C161 CovalentContact SG-SG 2.01Å; C135-C161 PolarHBondContact SG-SG 2.78Å; C135-W163 HydrophobicContact CB-CH2 4.03Å; C135-W163 HydrophobicContact CB-CZ2 3.54Å
136	G	77.9	Confident	82.3	Confident	15 Å²	15	51 Å²	51	16%	0.155	26%	0.26	C	S	.	.			trans	98.2	171.4	175.9	0	0	0	0	0	116.7	Y162	G136-Y162 CarbonylContact C-O 3.52Å; G136-Y162 WeakPolarHBondContact CA-O 3.48Å
137	G	73.4	Confident	82.3	Confident	11 Å²	11	55.2 Å²	55.2	11%	0.113	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	135.5	173.9	177.7	0	0	0	0	0	115.3	E32 F139 Y162 H164	E32-G137 WeakPolarHBondContact OE2-CA 3.34Å; G137-F139 WeakPolarHBondContact O-CD2 3Å; G137-F139 WeakPolarHBondContact O-CE2 3.04Å; G137-Y162 PolarHBondContact N-O 2.86Å; G137-H164 PolarHBondContact O-N 3.21Å
138	V	74.9	Confident	82.4	Confident	26 Å²	26	55.4 Å²	55.4	16%	0.158	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	131.4	169.3	175.3	0	0	0	0	107.5	I29 E32 T140 H164 R166 Y199	I29-V138 HydrophobicContact CG2-CG2 4.42Å; E32-V138 HydrophobicContact CG-CB 3.72Å; E32-V138 HydrophobicContact CG-CG2 3.26Å; E32-V138 VanDerWaalsContact CG-N 3.25Å; E32-V138 WeakPolarHBondContact OE1-CG2 3.18Å; E32-V138 PolarHBondContact OE2-N 3.21Å; V138-T140 HydrophobicContact CG1-CG2 3.73Å; V138-H164 CarbonylContact C-O 3.54Å; V138-H164 WeakPolarHBondContact CA-O 3.38Å; V138-H164 HydrophobicContact CG2-CB 4.35Å; V138-R166 HydrophobicContact CG1-CB 4.36Å; V138-Y199 WeakPolarHBondContact CG2-OH 3.3Å
139	F	82.3	Confident	82.3	Confident	29 Å²	29	53.2 Å²	53.2	13%	0.127	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	123.3	173.5	-54.9	-82.6	0	0	0	110.2	G137 R144 F146 W163 H164 I165 R166 Y244	G137-F139 WeakPolarHBondContact O-CD2 3Å; G137-F139 WeakPolarHBondContact O-CE2 3.04Å; F139-R144 VanDerWaalsContact CD1-NE 3.27Å; F139-F146 HydrophobicContact CB-CE1 4.39Å; F139-F146 HydrophobicContact CB-CZ 4.13Å; F139-F146 AromaticContact CD1-CE1 3.87Å; F139-F146 HydrophobicContact CD1-CE1 3.87Å; F139-F146 HydrophobicContact CD1-CZ 4.43Å; F139-F146 AromaticContact CD2-CE1 3.37Å; F139-F146 HydrophobicContact CD2-CE1 3.37Å; F139-F146 AromaticContact CD2-CZ 3.36Å; F139-F146 HydrophobicContact CD2-CZ 3.36Å; F139-F146 AromaticContact CE1-CE1 3.91Å; F139-F146 HydrophobicContact CE1-CE1 3.91Å; F139-F146 HydrophobicContact CE2-CD1 4.36Å; F139-F146 AromaticContact CE2-CE1 3.48Å; F139-F146 HydrophobicContact CE2-CE1 3.48Å; F139-F146 VanDerWaalsContact CE2-CE1 3.48Å; F139-F146 AromaticContact CE2-CZ 3.85Å; F139-F146 HydrophobicContact CE2-CZ 3.85Å; F139-F146 AromaticContact CG-CE1 3.56Å; F139-F146 HydrophobicContact CG-CE1 3.56Å; F139-F146 AromaticContact CG-CZ 3.68Å; F139-F146 HydrophobicContact CG-CZ 3.68Å; F139-F146 HydrophobicContact CZ-CD1 4.39Å; F139-F146 AromaticContact CZ-CE1 3.72Å; F139-F146 HydrophobicContact CZ-CE1 3.72Å; F139-W163 HydrophobicContact CD2-CB 4.27Å; F139-W163 HydrophobicContact CE2-CB 3.99Å; F139-W163 AromaticContact CE2-CD1 3.34Å; F139-W163 HydrophobicContact CE2-CG 4.03Å; F139-W163 AromaticContact CZ-CD1 3.75Å; F139-H164 PolarHBondContact N-O 2.76Å; F139-I165 WeakPolarHBondContact O-CA 3.17Å; F139-R166 PolarHBondContact O-N 2.9Å; F139-Y244 HydrophobicContact CB-CE1 4.04Å; F139-Y244 WeakPolarHBondContact CB-OH 3.46Å
140	T	85.6	Confident	82.6	Confident	52 Å²	52	55.3 Å²	55.3	32%	0.319	29%	0.293	S	S	.	.			trans	-118.8	-3.2	-179.3	65.4	0	0	0	0	112.6	W30 V138 R166	W30-T140 HydrophobicContact CH2-CG2 4.06Å; W30-T140 WeakPolarHBondContact CH2-OG1 3.42Å; W30-T140 HydrophobicContact CZ3-CG2 4.27Å; W30-T140 VanDerWaalsContact CZ3-OG1 3.31Å; W30-T140 WeakPolarHBondContact CZ3-OG1 3.24Å; V138-T140 HydrophobicContact CG1-CG2 3.73Å; T140-R166 VanDerWaalsContact CA-O 3.32Å; T140-R166 WeakPolarHBondContact CA-O 3.31Å; T140-R166 WeakPolarHBondContact CB-O 3.29Å
141	D	90	Very high	83.5	Confident	47 Å²	47	53.8 Å²	53.8	25%	0.251	28%	0.279	S	S	.	.	S	Bend	trans	-67.9	156.1	172.6	45.3	-80	0	0	0	110.9	K143 R144 L167 Y244	D141-K143 PolarHBondContact O-N 3.43Å; D141-R144 VanDerWaalsContact CG-NH2 3.3Å; D141-R144 IonicContact OD1-CZ 3.42Å; D141-R144 IonicContact OD1-NE 3.38Å; D141-R144 PolarHBondContact OD1-NE 3.16Å; D141-R144 IonicContact OD1-NH2 3.95Å; D141-R144 PolarHBondContact OD1-NH2 2.95Å; D141-R144 WeakPolarHBondContact OD2-CB 3.28Å; D141-R144 IonicContact OD2-CZ 2.77Å; D141-R144 IonicContact OD2-NE 3.52Å; D141-R144 PolarHBondContact OD2-NE 3.34Å; D141-R144 IonicContact OD2-NH2 3.92Å; D141-R144 PolarHBondContact OD2-NH2 3.31Å; D141-L167 WeakPolarHBondContact O-CD2 2.99Å; D141-Y244 WeakPolarHBondContact O-CE2 3.26Å; D141-Y244 PolarHBondContact O-OH 3.33Å; D141-Y244 PolarHBondContact OD2-OH 3.36Å
142	S	95	Very high	84.7	Confident	79 Å²	79	55.5 Å²	55.5	55%	0.552	30%	0.297	S	S	*	.	S	Bend	trans	-76.3	-6.5	-175.6	56	0	0	0	0	114	V245 A246	S142-V245 CarbonylContact O-C 3.53Å; S142-V245 WeakPolarHBondContact O-CA 3.21Å; S142-A246 PolarHBondContact O-N 3.05Å
143	K	97.1	Very high	86.3	Confident	122 Å²	122	60.4 Å²	60.4	53%	0.53	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	133.5	179.3	169.4	176.3	168.4	-178.5	0	111	D141 Y244 V245	D141-K143 PolarHBondContact O-N 3.43Å; K143-Y244 VanDerWaalsContact CA-O 3.3Å; K143-Y244 WeakPolarHBondContact CA-O 3.26Å; K143-V245 HydrophobicContact CB-CG1 4.04Å; K143-V245 HydrophobicContact CD-CG1 3.9Å; K143-V245 HydrophobicContact CG-CG1 3.79Å
144	R	95.7	Very high	88.1	Confident	99 Å²	99	56.9 Å²	56.9	37%	0.374	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	162.5	173	-164.6	158.4	-77.1	-97.4	7.6	112.6	F139 D141 F146 K243 Y244	F139-R144 VanDerWaalsContact CD1-NE 3.27Å; D141-R144 VanDerWaalsContact CG-NH2 3.3Å; D141-R144 IonicContact OD1-CZ 3.42Å; D141-R144 IonicContact OD1-NE 3.38Å; D141-R144 PolarHBondContact OD1-NE 3.16Å; D141-R144 IonicContact OD1-NH2 3.95Å; D141-R144 PolarHBondContact OD1-NH2 2.95Å; D141-R144 WeakPolarHBondContact OD2-CB 3.28Å; D141-R144 IonicContact OD2-CZ 2.77Å; D141-R144 IonicContact OD2-NE 3.52Å; D141-R144 PolarHBondContact OD2-NE 3.34Å; D141-R144 IonicContact OD2-NH2 3.92Å; D141-R144 PolarHBondContact OD2-NH2 3.31Å; R144-F146 HydrophobicContact CB-CE1 4.22Å; R144-F146 HydrophobicContact CG-CD1 4.04Å; R144-F146 HydrophobicContact CG-CE1 3.78Å; R144-K243 VanDerWaalsContact O-CA 3.31Å; R144-K243 WeakPolarHBondContact O-CA 3.4Å; R144-Y244 HydrophobicContact CB-CD1 3.84Å; R144-Y244 HydrophobicContact CB-CE1 3.3Å; R144-Y244 HydrophobicContact CG-CE1 4.4Å; R144-Y244 PolarHBondContact N-O 3.4Å; R144-Y244 VanDerWaalsContact N-O 3.15Å; R144-Y244 PolarHBondContact O-N 2.58Å
145	I	96.4	Very high	89.4	Confident	75 Å²	75	51 Å²	51	39%	0.385	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	125.9	164.5	-60	176.3	0	0	0	107.8	K147 L178 Q241 I242 K243	I145-K147 HydrophobicContact CG2-CG 4.29Å; I145-L178 HydrophobicContact CD1-CD1 4.07Å; I145-L178 HydrophobicContact CG1-CD1 4.41Å; I145-Q241 HydrophobicContact CG2-CB 4.37Å; I145-I242 CarbonylContact C-O 3.52Å; I145-I242 WeakPolarHBondContact CA-O 3.42Å; I145-K243 HydrophobicContact CG1-CB 4.07Å; I145-K243 HydrophobicContact CG1-CD 4.49Å; I145-K243 HydrophobicContact CG1-CG 4.08Å
146	F	94.3	Very high	90.1	Very high	6 Å²	6	57.2 Å²	57.2	3%	0.026	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	148.4	168.1	-55.3	-42.9	0	0	0	109.5	F139 R144 W163 I165 L227 Q241 I242 Y244	F139-F146 HydrophobicContact CB-CE1 4.39Å; F139-F146 HydrophobicContact CB-CZ 4.13Å; F139-F146 AromaticContact CD1-CE1 3.87Å; F139-F146 HydrophobicContact CD1-CE1 3.87Å; F139-F146 HydrophobicContact CD1-CZ 4.43Å; F139-F146 AromaticContact CD2-CE1 3.37Å; F139-F146 HydrophobicContact CD2-CE1 3.37Å; F139-F146 AromaticContact CD2-CZ 3.36Å; F139-F146 HydrophobicContact CD2-CZ 3.36Å; F139-F146 AromaticContact CE1-CE1 3.91Å; F139-F146 HydrophobicContact CE1-CE1 3.91Å; F139-F146 HydrophobicContact CE2-CD1 4.36Å; F139-F146 AromaticContact CE2-CE1 3.48Å; F139-F146 HydrophobicContact CE2-CE1 3.48Å; F139-F146 VanDerWaalsContact CE2-CE1 3.48Å; F139-F146 AromaticContact CE2-CZ 3.85Å; F139-F146 HydrophobicContact CE2-CZ 3.85Å; F139-F146 AromaticContact CG-CE1 3.56Å; F139-F146 HydrophobicContact CG-CE1 3.56Å; F139-F146 AromaticContact CG-CZ 3.68Å; F139-F146 HydrophobicContact CG-CZ 3.68Å; F139-F146 HydrophobicContact CZ-CD1 4.39Å; F139-F146 AromaticContact CZ-CE1 3.72Å; F139-F146 HydrophobicContact CZ-CE1 3.72Å; R144-F146 HydrophobicContact CB-CE1 4.22Å; R144-F146 HydrophobicContact CG-CD1 4.04Å; R144-F146 HydrophobicContact CG-CE1 3.78Å; F146-W163 HydrophobicContact CB-CD2 4.48Å; F146-W163 AromaticContact CD1-CD1 3.29Å; F146-W163 HydrophobicContact CD1-CG 4.05Å; F146-W163 AromaticContact CD1-NE1 3.7Å; F146-W163 HydrophobicContact CD2-CB 4.08Å; F146-W163 AromaticContact CD2-CG 4Å; F146-W163 HydrophobicContact CD2-CG 4Å; F146-W163 HydrophobicContact CE1-CB 4.32Å; F146-W163 AromaticContact CE1-CD1 3.49Å; F146-W163 VanDerWaalsContact CE1-CD1 3.49Å; F146-W163 HydrophobicContact CE1-CG 4.16Å; F146-W163 HydrophobicContact CE2-CB 3.75Å; F146-W163 HydrophobicContact CE2-CG 4.11Å; F146-W163 HydrophobicContact CG-CB 4.48Å; F146-W163 AromaticContact CG-CD1 3.59Å; F146-W163 HydrophobicContact CG-CD2 4.37Å; F146-W163 AromaticContact CG-CG 3.96Å; F146-W163 HydrophobicContact CG-CG 3.96Å; F146-W163 AromaticContact CG-NE1 3.88Å; F146-W163 HydrophobicContact CZ-CB 3.88Å; F146-W163 AromaticContact CZ-CD1 3.96Å; F146-W163 HydrophobicContact CZ-CG 4.19Å; F146-I165 HydrophobicContact CE2-CD1 3.99Å; F146-I165 HydrophobicContact CE2-CG1 4.02Å; F146-I165 HydrophobicContact CZ-CG1 4.12Å; F146-L227 HydrophobicContact CD2-CD2 4.13Å; F146-Q241 CarbonylContact O-C 3.35Å; F146-Q241 WeakPolarHBondContact O-CA 3.46Å; F146-I242 PolarHBondContact N-O 2.03Å; F146-I242 PolarHBondContact O-N 3.22Å; F146-Y244 HydrophobicContact CE1-CE1 4.23Å; F146-Y244 AromaticContact CE2-CD1 3.71Å; F146-Y244 HydrophobicContact CE2-CD1 3.71Å; F146-Y244 HydrophobicContact CE2-CE1 4.01Å; F146-Y244 AromaticContact CZ-CD1 3.72Å; F146-Y244 HydrophobicContact CZ-CD1 3.72Å; F146-Y244 AromaticContact CZ-CE1 3.51Å; F146-Y244 HydrophobicContact CZ-CE1 3.51Å
147	K	94.7	Very high	90.6	Very high	90 Å²	90	59.5 Å²	59.5	39%	0.391	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	152.3	176.8	-47.1	-166.2	175.4	-165.7	0	108.9	I145 F151 W163 F240 Q241	I145-K147 HydrophobicContact CG2-CG 4.29Å; K147-F151 HydrophobicContact CB-CB 3.93Å; K147-F151 HydrophobicContact CB-CG 4.24Å; K147-F151 HydrophobicContact CD-CB 4.33Å; K147-F151 HydrophobicContact CD-CD1 3.72Å; K147-F151 HydrophobicContact CD-CG 4.2Å; K147-W163 WeakPolarHBondContact O-CZ2 3.15Å; K147-F240 VanDerWaalsContact CA-O 3.29Å; K147-F240 WeakPolarHBondContact CA-O 2.87Å; K147-Q241 HydrophobicContact CD-CG 4.09Å; K147-Q241 VanDerWaalsContact CE-OE1 3.24Å; K147-Q241 HydrophobicContact CG-CG 4.03Å
148	S	93.8	Very high	90.8	Very high	4 Å²	4	64.1 Å²	64.1	3%	0.028	34%	0.339	C	S	.	.			trans	-58.1	150.6	163.5	51.8	0	0	0	0	110.1	F151 G239 F240	S148-F151 WeakPolarHBondContact O-CB 3.39Å; S148-F151 PolarHBondContact O-N 3.41Å; S148-G239 WeakPolarHBondContact OG-CA 3.25Å; S148-F240 PolarHBondContact N-O 2.88Å; S148-F240 PolarHBondContact OG-N 3.04Å
149	P	88.9	Confident	91.1	Very high	3 Å²	3	63 Å²	63	2%	0.019	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	143	167.6	-25.2	35.3	0	0	0	111.1	E134 C135 F151 Q159	E134-P149 HydrophobicContact CB-CB 4.28Å; C135-P149 HydrophobicContact CB-CG 3.7Å; P149-F151 PolarHBondContact O-N 3.19Å; P149-Q159 VanDerWaalsContact CG-OE1 3.24Å
150	G	88.5	Confident	91	Very high	44 Å²	44	62.7 Å²	62.7	45%	0.454	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	-17.4	177.9	0	0	0	0	0	116.1	N153	G150-N153 CarbonylContact C-O 3.55Å; G150-N153 WeakPolarHBondContact O-CB 3.41Å; G150-N153 PolarHBondContact O-N 2.79Å; G150-N153 PolarHBondContact O-ND2 3.15Å
151	F	93.4	Very high	90.9	Very high	36 Å²	36	60.2 Å²	60.2	16%	0.158	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	132.8	-177.7	-168.3	-78.6	0	0	0	112.8	K147 S148 P149 G238 Q241	K147-F151 HydrophobicContact CB-CB 3.93Å; K147-F151 HydrophobicContact CB-CG 4.24Å; K147-F151 HydrophobicContact CD-CB 4.33Å; K147-F151 HydrophobicContact CD-CD1 3.72Å; K147-F151 HydrophobicContact CD-CG 4.2Å; S148-F151 WeakPolarHBondContact O-CB 3.39Å; S148-F151 PolarHBondContact O-N 3.41Å; P149-F151 PolarHBondContact O-N 3.19Å; F151-G238 WeakPolarHBondContact CD2-O 3.41Å; F151-Q241 HydrophobicContact CD1-CG 4.03Å; F151-Q241 HydrophobicContact CD2-CG 4.32Å; F151-Q241 HydrophobicContact CE1-CG 3.67Å; F151-Q241 HydrophobicContact CE2-CG 3.96Å; F151-Q241 HydrophobicContact CG-CG 4.37Å; F151-Q241 HydrophobicContact CZ-CG 3.64Å
152	P	94.6	Very high	90.4	Very high	101 Å²	101	58.3 Å²	58.3	66%	0.656	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	cis	-89.8	10.3	13.6	37.7	-38.5	0	0	0	115.4
153	N	95.1	Very high	90.1	Very high	117 Å²	117	54.9 Å²	54.9	63%	0.626	28%	0.28	S	S	*	.	S	Bend	trans	-80.3	171	168.1	-49	-67.4	0	0	0	109.4	G150	G150-N153 CarbonylContact C-O 3.55Å; G150-N153 WeakPolarHBondContact O-CB 3.41Å; G150-N153 PolarHBondContact O-N 2.79Å; G150-N153 PolarHBondContact O-ND2 3.15Å
154	E	96.1	Very high	89.4	Confident	110 Å²	110	49.6 Å²	49.6	51%	0.514	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-56.2	146.6	173.7	-61.8	178.5	-164.5	0	0	111.4	T236 A237	E154-T236 PolarHBondContact OE2-OG1 3.04Å; E154-A237 WeakPolarHBondContact CA-O 3.36Å; E154-A237 WeakPolarHBondContact CB-O 3.23Å
155	Y	93.9	Very high	89.2	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.008	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-72	168.4	168.7	56.1	-92.5	0	0	0	110.3	L182 E183 D191 F229 T236 A237	Y155-L182 HydrophobicContact CD1-CD2 4.06Å; Y155-L182 HydrophobicContact CE1-CD2 3.37Å; Y155-E183 PolarHBondContact OH-N 3.42Å; Y155-E183 VanDerWaalsContact OH-N 3.08Å; Y155-D191 WeakPolarHBondContact CE2-OD2 3Å; Y155-D191 PolarHBondContact OH-OD2 2.96Å; Y155-F229 HydrophobicContact CD1-CZ 4.21Å; Y155-F229 HydrophobicContact CD2-CE1 4.49Å; Y155-F229 AromaticContact CD2-CZ 3.82Å; Y155-F229 HydrophobicContact CD2-CZ 3.82Å; Y155-F229 HydrophobicContact CE2-CZ 4.14Å; Y155-F229 HydrophobicContact CG-CE1 4.38Å; Y155-F229 AromaticContact CG-CZ 3.85Å; Y155-F229 HydrophobicContact CG-CZ 3.85Å; Y155-T236 HydrophobicContact CD2-CG2 4.04Å; Y155-T236 HydrophobicContact CE2-CG2 4.02Å; Y155-T236 VanDerWaalsContact O-CB 3.24Å; Y155-T236 WeakPolarHBondContact O-CB 3.28Å; Y155-T236 WeakPolarHBondContact O-CG2 3.08Å; Y155-A237 WeakPolarHBondContact CD1-O 3.2Å; Y155-A237 HydrophobicContact CE1-CB 3.96Å; Y155-A237 VanDerWaalsContact CE1-N 3.34Å; Y155-A237 WeakPolarHBondContact CE1-O 3.3Å; Y155-A237 VanDerWaalsContact CZ-N 3.34Å; Y155-A237 PolarHBondContact N-O 3.45Å; Y155-A237 PolarHBondContact OH-N 2.84Å
156	E	91.1	Very high	88.9	Confident	133 Å²	133	44.6 Å²	44.6	62%	0.621	23%	0.234	S	C	*	.	P	Polyproline II helix	trans	-100.3	161.8	177.7	-56.1	-79.6	158.9	0	0	110.5	Q159 S231	E156-Q159 HydrophobicContact CB-CG 4.38Å; E156-Q159 VanDerWaalsContact O-CG 3.31Å; E156-Q159 WeakPolarHBondContact O-CG 3.29Å; E156-S231 PolarHBondContact O-OG 2.89Å
157	D	87.5	Confident	88.8	Confident	63 Å²	63	44.8 Å²	44.8	34%	0.337	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	156.6	172.3	-56.3	-39.7	0	0	0	112.1	Q159 D232 S234 T236	D157-Q159 VanDerWaalsContact C-N 3.31Å; D157-Q159 PolarHBondContact O-N 3.15Å; D157-D232 CarbonylContact C-O 3.58Å; D157-D232 WeakPolarHBondContact CA-O 2.98Å; D157-D232 WeakPolarHBondContact CB-O 3.46Å; D157-S234 VanDerWaalsContact OD1-CA 3.27Å; D157-S234 WeakPolarHBondContact OD1-CA 3.48Å; D157-S234 PolarHBondContact OD1-N 3.24Å; D157-T236 WeakPolarHBondContact OD1-CG2 3.37Å
158	N	77.7	Confident	88.7	Confident	108 Å²	108	48.4 Å²	48.4	58%	0.578	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	33.2	170.5	-54.4	-85.8	0	0	0	114.3	S231 D232	N158-S231 WeakPolarHBondContact CA-O 3.25Å; N158-S231 PolarHBondContact N-O 2.87Å; N158-S231 PolarHBondContact N-OG 3.32Å; N158-D232 PolarHBondContact N-O 2.63Å
159	Q	80.6	Confident	88.5	Confident	3 Å²	3	57.5 Å²	57.5	1%	0.014	29%	0.286	C	S	.	.			trans	-91.8	139.1	177.7	-64.7	-175.9	-22.3	0	0	110.5	P149 E156 D157 F229 L230 S231	P149-Q159 VanDerWaalsContact CG-OE1 3.24Å; E156-Q159 HydrophobicContact CB-CG 4.38Å; E156-Q159 VanDerWaalsContact O-CG 3.31Å; E156-Q159 WeakPolarHBondContact O-CG 3.29Å; D157-Q159 VanDerWaalsContact C-N 3.31Å; D157-Q159 PolarHBondContact O-N 3.15Å; Q159-F229 HydrophobicContact CB-CE1 4.35Å; Q159-L230 CarbonylContact O-C 3.23Å; Q159-L230 VanDerWaalsContact O-CA 3.27Å; Q159-L230 WeakPolarHBondContact O-CA 3.47Å; Q159-S231 WeakPolarHBondContact CB-OG 3.41Å; Q159-S231 PolarHBondContact N-OG 2.8Å; Q159-S231 PolarHBondContact O-N 3.48Å
160	I	81.2	Confident	88.5	Confident	22 Å²	22	60 Å²	60	11%	0.113	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	125.2	167.2	-45.2	-178.9	0	0	0	109.1	N129 Y162 F229 L230	N129-I160 PolarHBondContact ND2-O 2.92Å; I160-Y162 HydrophobicContact CG2-CD2 4.09Å; I160-Y162 HydrophobicContact CG2-CE2 3.55Å; I160-F229 CarbonylContact C-O 3.59Å; I160-F229 WeakPolarHBondContact CA-O 3.43Å; I160-L230 HydrophobicContact CD1-CD1 3.66Å; I160-L230 HydrophobicContact CD1-CG 4.35Å; I160-L230 HydrophobicContact CG1-CD1 3.89Å; I160-L230 HydrophobicContact CG1-CG 4.06Å
161	C	82.7	Confident	88.8	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	138.3	-174.2	-53.6	0	0	0	0	110.1	C135 W163 K228 F229	C135-C161 HydrophobicContact CB-CB 3.42Å; C135-C161 VanDerWaalsContact CB-CB 3.42Å; C135-C161 WeakPolarHBondContact CB-SG 3.47Å; C135-C161 WeakPolarHBondContact SG-CB 3.31Å; C135-C161 CovalentContact SG-SG 2.01Å; C135-C161 PolarHBondContact SG-SG 2.78Å; C161-W163 HydrophobicContact CB-CE3 4.25Å; C161-W163 HydrophobicContact CB-CH2 3.34Å; C161-W163 HydrophobicContact CB-CZ2 3.95Å; C161-W163 HydrophobicContact CB-CZ3 3.53Å; C161-K228 CarbonylContact O-C 3.59Å; C161-K228 VanDerWaalsContact O-CA 3.26Å; C161-K228 WeakPolarHBondContact O-CA 3.17Å; C161-F229 HydrophobicContact CB-CB 4.14Å; C161-F229 HydrophobicContact CB-CD1 4.45Å; C161-F229 PolarHBondContact N-O 3.18Å; C161-F229 PolarHBondContact O-N 2.79Å
162	Y	80.8	Confident	89	Confident	7 Å²	7	60.1 Å²	60.1	3%	0.027	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	117.1	178.2	-78.1	-93.1	0	0	0	110.4	E61 G136 G137 I160 D201 T226 L227 K228	E61-Y162 HydrophobicContact CB-CE2 4.27Å; E61-Y162 HydrophobicContact CG-CE2 4.31Å; G136-Y162 CarbonylContact C-O 3.52Å; G136-Y162 WeakPolarHBondContact CA-O 3.48Å; G137-Y162 PolarHBondContact N-O 2.86Å; I160-Y162 HydrophobicContact CG2-CD2 4.09Å; I160-Y162 HydrophobicContact CG2-CE2 3.55Å; Y162-D201 HydrophobicContact CE1-CB 4.02Å; Y162-D201 WeakPolarHBondContact CE1-OD2 3.46Å; Y162-D201 PolarHBondContact OH-OD2 2.86Å; Y162-T226 HydrophobicContact CD1-CG2 4.2Å; Y162-L227 CarbonylContact C-O 3.58Å; Y162-L227 WeakPolarHBondContact CA-O 3.5Å; Y162-K228 HydrophobicContact CD1-CB 4.04Å; Y162-K228 HydrophobicContact CD1-CG 4.23Å; Y162-K228 HydrophobicContact CE1-CB 3.87Å; Y162-K228 HydrophobicContact CE1-CD 3.75Å; Y162-K228 HydrophobicContact CE1-CG 3.75Å; Y162-K228 HydrophobicContact CE2-CD 4.44Å; Y162-K228 HydrophobicContact CE2-CG 4.2Å; Y162-K228 WeakPolarHBondContact OH-CD 3.26Å
163	W	88.4	Confident	89.2	Confident	8 Å²	8	55.3 Å²	55.3	3%	0.03	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	115.9	172	-58.3	-99.8	0	0	0	109.4	C135 F139 F146 K147 C161 T226 L227 F229 F240	C135-W163 HydrophobicContact CB-CH2 4.03Å; C135-W163 HydrophobicContact CB-CZ2 3.54Å; F139-W163 HydrophobicContact CD2-CB 4.27Å; F139-W163 HydrophobicContact CE2-CB 3.99Å; F139-W163 AromaticContact CE2-CD1 3.34Å; F139-W163 HydrophobicContact CE2-CG 4.03Å; F139-W163 AromaticContact CZ-CD1 3.75Å; F146-W163 HydrophobicContact CB-CD2 4.48Å; F146-W163 AromaticContact CD1-CD1 3.29Å; F146-W163 HydrophobicContact CD1-CG 4.05Å; F146-W163 AromaticContact CD1-NE1 3.7Å; F146-W163 HydrophobicContact CD2-CB 4.08Å; F146-W163 AromaticContact CD2-CG 4Å; F146-W163 HydrophobicContact CD2-CG 4Å; F146-W163 HydrophobicContact CE1-CB 4.32Å; F146-W163 AromaticContact CE1-CD1 3.49Å; F146-W163 VanDerWaalsContact CE1-CD1 3.49Å; F146-W163 HydrophobicContact CE1-CG 4.16Å; F146-W163 HydrophobicContact CE2-CB 3.75Å; F146-W163 HydrophobicContact CE2-CG 4.11Å; F146-W163 HydrophobicContact CG-CB 4.48Å; F146-W163 AromaticContact CG-CD1 3.59Å; F146-W163 HydrophobicContact CG-CD2 4.37Å; F146-W163 AromaticContact CG-CG 3.96Å; F146-W163 HydrophobicContact CG-CG 3.96Å; F146-W163 AromaticContact CG-NE1 3.88Å; F146-W163 HydrophobicContact CZ-CB 3.88Å; F146-W163 AromaticContact CZ-CD1 3.96Å; F146-W163 HydrophobicContact CZ-CG 4.19Å; K147-W163 WeakPolarHBondContact O-CZ2 3.15Å; C161-W163 HydrophobicContact CB-CE3 4.25Å; C161-W163 HydrophobicContact CB-CH2 3.34Å; C161-W163 HydrophobicContact CB-CZ2 3.95Å; C161-W163 HydrophobicContact CB-CZ3 3.53Å; W163-T226 WeakPolarHBondContact O-CA 3.36Å; W163-L227 HydrophobicContact CB-CB 4.35Å; W163-L227 HydrophobicContact CE3-CB 4.09Å; W163-L227 PolarHBondContact N-O 3.14Å; W163-L227 PolarHBondContact O-N 3.19Å; W163-F229 HydrophobicContact CH2-CB 4Å; W163-F229 HydrophobicContact CZ3-CB 3.67Å; W163-F240 HydrophobicContact CH2-CE2 4.08Å; W163-F240 AromaticContact CH2-CZ 3.54Å; W163-F240 HydrophobicContact CH2-CZ 3.54Å; W163-F240 HydrophobicContact CZ2-CZ 4.44Å; W163-F240 HydrophobicContact CZ3-CE2 4.38Å; W163-F240 AromaticContact CZ3-CZ 3.85Å; W163-F240 HydrophobicContact CZ3-CZ 3.85Å
164	H	81.8	Confident	89.3	Confident	11 Å²	11	52.1 Å²	52.1	5%	0.051	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	114.9	176.4	-61.7	-69.8	0	0	0	109.6	E32 G137 V138 F139 Y199 T226	E32-H164 IonicContact OE1-CD2 2.67Å; E32-H164 IonicContact OE2-CD2 3.19Å; E32-H164 PolarHBondContact OE2-CD2 2.98Å; G137-H164 PolarHBondContact O-N 3.21Å; V138-H164 CarbonylContact C-O 3.54Å; V138-H164 WeakPolarHBondContact CA-O 3.38Å; V138-H164 HydrophobicContact CG2-CB 4.35Å; F139-H164 PolarHBondContact N-O 2.76Å; H164-Y199 HydrophobicContact CB-CD2 4.41Å; H164-Y199 HydrophobicContact CB-CE2 3.79Å; H164-T226 VanDerWaalsContact CE1-CG2 3.48Å; H164-T226 WeakPolarHBondContact CE1-CG2 3.35Å; H164-T226 WeakPolarHBondContact ND1-CG2 3.18Å; H164-T226 PolarHBondContact ND1-OG1 2.96Å
165	I	91.5	Very high	89.5	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	130.5	176.4	-53.3	167.5	0	0	0	108	F139 F146 L167 I173 L175 V224 M225 L227 Y244	F139-I165 WeakPolarHBondContact O-CA 3.17Å; F146-I165 HydrophobicContact CE2-CD1 3.99Å; F146-I165 HydrophobicContact CE2-CG1 4.02Å; F146-I165 HydrophobicContact CZ-CG1 4.12Å; I165-L167 HydrophobicContact CG2-CD2 4.08Å; I165-L167 HydrophobicContact CG2-CG 4.11Å; I165-I173 HydrophobicContact CB-CD1 3.84Å; I165-I173 HydrophobicContact CD1-CG2 3.88Å; I165-I173 HydrophobicContact CG2-CD1 3.55Å; I165-I173 HydrophobicContact CG2-CG1 3.92Å; I165-I173 HydrophobicContact CG2-CG2 4.36Å; I165-L175 HydrophobicContact CD1-CD1 4.39Å; I165-V224 VanDerWaalsContact O-CA 3.26Å; I165-V224 WeakPolarHBondContact O-CA 3.49Å; I165-M225 HydrophobicContact CB-CB 4.49Å; I165-M225 HydrophobicContact CD1-CB 4.39Å; I165-M225 HydrophobicContact CD1-SD 4.48Å; I165-M225 PolarHBondContact N-O 3.48Å; I165-M225 PolarHBondContact O-N 2.72Å; I165-M225 VanDerWaalsContact O-N 3.15Å; I165-L227 HydrophobicContact CD1-CD1 3.82Å; I165-L227 HydrophobicContact CG1-CD1 4.47Å; I165-Y244 HydrophobicContact CD1-CD1 3.58Å; I165-Y244 HydrophobicContact CD1-CD2 4.39Å; I165-Y244 HydrophobicContact CD1-CE1 4.11Å; I165-Y244 HydrophobicContact CD1-CG 3.73Å; I165-Y244 HydrophobicContact CG1-CD1 3.99Å; I165-Y244 HydrophobicContact CG1-CE1 4.01Å; I165-Y244 HydrophobicContact CG1-CG 4.45Å; I165-Y244 HydrophobicContact CG2-CD2 4.12Å; I165-Y244 HydrophobicContact CG2-CE1 4.25Å; I165-Y244 HydrophobicContact CG2-CE2 3.88Å; I165-Y244 HydrophobicContact CG2-CG 4.46Å
166	R	89.7	Confident	89.7	Confident	69 Å²	69	47.5 Å²	47.5	26%	0.26	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	101.3	175.1	-175.3	177	-177.8	-156.6	1.8	111	V138 F139 T140 Y199 N223 V224	V138-R166 HydrophobicContact CG1-CB 4.36Å; F139-R166 PolarHBondContact O-N 2.9Å; T140-R166 VanDerWaalsContact CA-O 3.32Å; T140-R166 WeakPolarHBondContact CA-O 3.31Å; T140-R166 WeakPolarHBondContact CB-O 3.29Å; R166-Y199 HydrophobicContact CB-CE2 4.14Å; R166-N223 WeakPolarHBondContact CA-O 3.41Å; R166-V224 HydrophobicContact CB-CG1 4.44Å; R166-V224 HydrophobicContact CG-CG1 4.12Å
167	L	92.5	Very high	90	Very high	10 Å²	10	41.9 Å²	41.9	5%	0.052	20%	0.204	C	C	.	.			trans	-90.3	177.3	178.4	-56.9	-173.4	0	0	0	112	D141 I165 Q171 H172 I173 N223 Y244 A246	D141-L167 WeakPolarHBondContact O-CD2 2.99Å; I165-L167 HydrophobicContact CG2-CD2 4.08Å; I165-L167 HydrophobicContact CG2-CG 4.11Å; L167-Q171 HydrophobicContact CB-CB 4.2Å; L167-Q171 HydrophobicContact CD1-CB 4.33Å; L167-H172 WeakPolarHBondContact CD1-O 3.14Å; L167-I173 HydrophobicContact CD1-CB 4.46Å; L167-I173 HydrophobicContact CD1-CG1 3.47Å; L167-I173 VanDerWaalsContact CD1-CG1 3.47Å; L167-I173 HydrophobicContact CG-CD1 4.44Å; L167-I173 HydrophobicContact CG-CG1 3.87Å; L167-N223 HydrophobicContact CB-CB 4.23Å; L167-N223 PolarHBondContact N-O 2.77Å; L167-N223 PolarHBondContact O-ND2 2.73Å; L167-Y244 HydrophobicContact CD2-CE2 4.06Å; L167-A246 HydrophobicContact CD1-CB 3.54Å; L167-A246 HydrophobicContact CD2-CB 4.49Å
168	K	92.2	Very high	90.5	Very high	166 Å²	166	42.9 Å²	42.9	72%	0.722	21%	0.209	S	C	*	.			trans	-67.4	151.9	174	-61.5	178.5	179.8	176.4	0	110	G170 Q171 N223	K168-G170 PolarHBondContact O-N 2.84Å; K168-Q171 HydrophobicContact CB-CG 4.4Å; K168-Q171 WeakPolarHBondContact O-CB 2.83Å; K168-Q171 PolarHBondContact O-N 3.22Å; K168-N223 WeakPolarHBondContact O-CB 3.33Å
169	Y	89.8	Confident	91.5	Very high	195 Å²	195	40.9 Å²	40.9	77%	0.765	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	139.9	173.7	-74.3	-74.6	0	0	0	111.1	Q171	Y169-Q171 VanDerWaalsContact C-N 3.33Å
170	G	89.6	Confident	92.3	Very high	54 Å²	54	41.1 Å²	41.1	56%	0.557	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.4	7.4	-177.3	0	0	0	0	0	114.5	K168 P249	K168-G170 PolarHBondContact O-N 2.84Å; G170-P249 WeakPolarHBondContact O-CD 3.36Å; G170-P249 WeakPolarHBondContact O-CG 3.48Å
171	Q	94.8	Very high	93.2	Very high	47 Å²	47	43 Å²	43	22%	0.22	21%	0.21	C	C	.	.			trans	-105.8	155.9	168.6	-56.5	-171.4	-73.5	0	0	110.6	L167 K168 Y169 G222 N223	L167-Q171 HydrophobicContact CB-CB 4.2Å; L167-Q171 HydrophobicContact CD1-CB 4.33Å; K168-Q171 HydrophobicContact CB-CG 4.4Å; K168-Q171 WeakPolarHBondContact O-CB 2.83Å; K168-Q171 PolarHBondContact O-N 3.22Å; Y169-Q171 VanDerWaalsContact C-N 3.33Å; Q171-G222 CarbonylContact O-C 3.6Å; Q171-N223 WeakPolarHBondContact O-CA 3Å; Q171-N223 WeakPolarHBondContact O-CB 3.38Å; Q171-N223 PolarHBondContact O-N 2.84Å
172	H	97.5	Very high	93.9	Very high	37 Å²	37	43.2 Å²	43.2	17%	0.171	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	166.1	165.8	-64.5	-35	0	0	0	111.4	L167 I219 T221 G222 A246 V247 P249	L167-H172 WeakPolarHBondContact CD1-O 3.14Å; H172-I219 HydrophobicContact CB-CG2 4.32Å; H172-T221 VanDerWaalsContact CE1-C 3.42Å; H172-T221 PolarHBondContact CE1-O 3.1Å; H172-G222 WeakPolarHBondContact CA-O 3.37Å; H172-G222 PolarHBondContact ND1-O 2.8Å; H172-G222 VanDerWaalsContact ND1-O 3.15Å; H172-A246 WeakPolarHBondContact O-CA 3.47Å; H172-V247 HydrophobicContact CB-CG2 3.89Å; H172-V247 PolarHBondContact N-O 3.08Å; H172-V247 PolarHBondContact O-N 3.36Å; H172-P249 VanDerWaalsContact CD2-CA 3.43Å; H172-P249 WeakPolarHBondContact CD2-CA 3.48Å
173	I	98.4	Very high	94.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	117.1	-178.6	-59.1	160.3	0	0	0	106.3	I165 L167 I219 S220 V224 M225 Y244	I165-I173 HydrophobicContact CB-CD1 3.84Å; I165-I173 HydrophobicContact CD1-CG2 3.88Å; I165-I173 HydrophobicContact CG2-CD1 3.55Å; I165-I173 HydrophobicContact CG2-CG1 3.92Å; I165-I173 HydrophobicContact CG2-CG2 4.36Å; L167-I173 HydrophobicContact CD1-CB 4.46Å; L167-I173 HydrophobicContact CD1-CG1 3.47Å; L167-I173 VanDerWaalsContact CD1-CG1 3.47Å; L167-I173 HydrophobicContact CG-CD1 4.44Å; L167-I173 HydrophobicContact CG-CG1 3.87Å; I173-I219 WeakPolarHBondContact O-CA 3.44Å; I173-S220 WeakPolarHBondContact CB-OG 3.07Å; I173-S220 PolarHBondContact N-OG 3.2Å; I173-S220 PolarHBondContact O-N 2.79Å; I173-S220 PolarHBondContact O-OG 2.89Å; I173-V224 VanDerWaalsContact CD1-C 3.41Å; I173-M225 HydrophobicContact CB-CE 4.35Å; I173-M225 HydrophobicContact CD1-CB 3.54Å; I173-M225 HydrophobicContact CG2-CE 4.19Å; I173-M225 HydrophobicContact CG2-SD 4.14Å; I173-Y244 HydrophobicContact CG2-CD2 4.31Å; I173-Y244 HydrophobicContact CG2-CG 4.38Å
174	H	98.4	Very high	95.2	Very high	49 Å²	49	50.4 Å²	50.4	23%	0.227	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	112.4	168.3	177	-157.5	0	0	0	108.2	D217 I218 I219 Y244 V245 V247	H174-D217 IonicContact CD2-OD2 3.39Å; H174-D217 IonicContact CE1-OD2 2.84Å; H174-D217 PolarHBondContact CE1-OD2 3.38Å; H174-D217 IonicContact NE2-OD2 3.23Å; H174-D217 PolarHBondContact NE2-OD2 3.44Å; H174-I218 CarbonylContact C-O 3.55Å; H174-I218 WeakPolarHBondContact CA-O 3.32Å; H174-I219 HydrophobicContact CB-CG1 4.36Å; H174-Y244 CarbonylContact O-C 3.52Å; H174-Y244 VanDerWaalsContact O-CA 3.28Å; H174-Y244 WeakPolarHBondContact O-CA 3.47Å; H174-V245 HydrophobicContact CB-CG2 3.97Å; H174-V245 PolarHBondContact N-O 3.4Å; H174-V245 PolarHBondContact O-N 3.27Å; H174-V247 HydrophobicContact CB-CG1 3.73Å; H174-V247 HydrophobicContact CB-CG2 4.11Å
175	L	98.6	Very high	95.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	136.4	179	-162.8	83.4	0	0	0	109.9	I165 F177 I195 D217 I218 M225 L227 I242 K243	I165-L175 HydrophobicContact CD1-CD1 4.39Å; L175-F177 HydrophobicContact CD2-CE2 4.38Å; L175-I195 HydrophobicContact CD2-CD1 3.32Å; L175-I195 HydrophobicContact CD2-CG1 4.37Å; L175-D217 WeakPolarHBondContact O-CA 3.37Å; L175-I218 HydrophobicContact CB-CB 4.32Å; L175-I218 HydrophobicContact CD2-CD1 4.42Å; L175-I218 PolarHBondContact N-O 3.43Å; L175-I218 PolarHBondContact O-N 2.97Å; L175-M225 HydrophobicContact CB-CE 4.4Å; L175-M225 HydrophobicContact CB-SD 4.13Å; L175-M225 HydrophobicContact CD1-SD 4.17Å; L175-M225 HydrophobicContact CD2-SD 4.09Å; L175-M225 HydrophobicContact CG-SD 4.37Å; L175-L227 HydrophobicContact CD1-CD1 4.21Å; L175-L227 HydrophobicContact CD1-CD2 4.07Å; L175-L227 HydrophobicContact CD2-CD2 4.15Å; L175-L227 HydrophobicContact CD2-CG 4.49Å; L175-I242 HydrophobicContact CD1-CG2 3.5Å; L175-I242 HydrophobicContact CD2-CG2 3.9Å; L175-I242 HydrophobicContact CG-CG2 3.6Å; L175-K243 CarbonylContact C-O 3.49Å; L175-K243 WeakPolarHBondContact CA-O 3.13Å
176	S	98.4	Very high	95.9	Very high	15 Å²	15	57.2 Å²	57.2	11%	0.105	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	138.1	179.4	53.4	0	0	0	0	110.2	D217 K243	S176-D217 VanDerWaalsContact CA-OD1 3.23Å; S176-D217 WeakPolarHBondContact CA-OD1 3.33Å; S176-D217 WeakPolarHBondContact CB-OD1 3.27Å; S176-K243 PolarHBondContact N-O 2.93Å; S176-K243 PolarHBondContact O-N 3.22Å; S176-K243 PolarHBondContact OG-O 2.82Å
177	F	98.3	Very high	95.9	Very high	15 Å²	15	56.6 Å²	56.6	7%	0.066	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	128.4	174.6	-65	-102.6	0	0	0	108.9	L175 F180 I195 Y209 L214 P215 I218 I242	L175-F177 HydrophobicContact CD2-CE2 4.38Å; F177-F180 AromaticContact CD1-CD2 3.72Å; F177-F180 HydrophobicContact CD1-CD2 3.72Å; F177-F180 HydrophobicContact CD1-CE2 4.18Å; F177-F180 HydrophobicContact CD1-CG 4.39Å; F177-F180 AromaticContact CE1-CD2 3.96Å; F177-F180 HydrophobicContact CE1-CD2 3.96Å; F177-F180 AromaticContact CE1-CE2 3.93Å; F177-F180 HydrophobicContact CE1-CE2 3.93Å; F177-I195 HydrophobicContact CE2-CD1 4.06Å; F177-I195 HydrophobicContact CZ-CD1 3.6Å; F177-Y209 HydrophobicContact CZ-CD2 4.27Å; F177-L214 HydrophobicContact CB-CD2 3.61Å; F177-P215 HydrophobicContact CD1-CG 3.93Å; F177-P215 HydrophobicContact CD2-CB 3.74Å; F177-P215 HydrophobicContact CD2-CG 4.04Å; F177-P215 HydrophobicContact CE1-CB 4.4Å; F177-P215 HydrophobicContact CE1-CG 3.82Å; F177-P215 HydrophobicContact CE2-CB 3.6Å; F177-P215 HydrophobicContact CE2-CG 3.95Å; F177-P215 HydrophobicContact CG-CB 4.23Å; F177-P215 HydrophobicContact CG-CG 4.04Å; F177-P215 HydrophobicContact CZ-CB 3.94Å; F177-P215 HydrophobicContact CZ-CG 3.82Å; F177-I218 HydrophobicContact CE2-CD1 4.38Å; F177-I242 HydrophobicContact CD1-CD1 3.88Å; F177-I242 HydrophobicContact CD1-CG1 3.57Å; F177-I242 HydrophobicContact CE1-CD1 3.5Å; F177-I242 HydrophobicContact CE1-CG1 3.75Å; F177-I242 HydrophobicContact CG-CG1 4.34Å; F177-I242 HydrophobicContact CZ-CD1 4.28Å
178	L	98.1	Very high	96.1	Very high	84 Å²	84	57 Å²	57	44%	0.44	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	-27.9	179.4	-56.3	-177	0	0	0	112	I145 Q241 K243	I145-L178 HydrophobicContact CD1-CD1 4.07Å; I145-L178 HydrophobicContact CG1-CD1 4.41Å; L178-Q241 HydrophobicContact CB-CB 4.08Å; L178-Q241 WeakPolarHBondContact CB-O 2.88Å; L178-Q241 PolarHBondContact N-O 3.23Å; L178-K243 HydrophobicContact CD1-CB 3.83Å; L178-K243 HydrophobicContact CD1-CD 4.27Å; L178-K243 HydrophobicContact CD2-CB 4.38Å; L178-K243 HydrophobicContact CG-CB 4.03Å
179	D	98.3	Very high	96.1	Very high	67 Å²	67	54.8 Å²	54.8	36%	0.358	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	141.7	179.4	-155.6	-23.7	0	0	0	107.8	F240 Q241	D179-F240 VanDerWaalsContact O-CA 3.28Å; D179-F240 WeakPolarHBondContact O-CA 3.31Å; D179-F240 WeakPolarHBondContact O-CB 3.49Å; D179-Q241 HydrophobicContact CB-CB 4.01Å; D179-Q241 HydrophobicContact CB-CG 4.26Å; D179-Q241 PolarHBondContact N-O 2.01Å; D179-Q241 PolarHBondContact O-N 3.02Å
180	F	98.4	Very high	96.2	Very high	7 Å²	7	45.9 Å²	45.9	3%	0.031	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	115.6	-176	-159.7	-102.1	0	0	0	111.5	F177 L182 V193 G211 D212 L214 P215 G239 F240	F177-F180 AromaticContact CD1-CD2 3.72Å; F177-F180 HydrophobicContact CD1-CD2 3.72Å; F177-F180 HydrophobicContact CD1-CE2 4.18Å; F177-F180 HydrophobicContact CD1-CG 4.39Å; F177-F180 AromaticContact CE1-CD2 3.96Å; F177-F180 HydrophobicContact CE1-CD2 3.96Å; F177-F180 AromaticContact CE1-CE2 3.93Å; F177-F180 HydrophobicContact CE1-CE2 3.93Å; F180-L182 HydrophobicContact CE1-CD1 4.41Å; F180-L182 HydrophobicContact CE1-CG 4.4Å; F180-L182 HydrophobicContact CE2-CD1 4.02Å; F180-L182 HydrophobicContact CE2-CG 4.31Å; F180-L182 HydrophobicContact CZ-CD1 3.65Å; F180-L182 HydrophobicContact CZ-CG 4.02Å; F180-V193 HydrophobicContact CE2-CB 4.27Å; F180-V193 HydrophobicContact CE2-CG2 4.04Å; F180-G211 VanDerWaalsContact CD1-O 3.32Å; F180-G211 WeakPolarHBondContact CD1-O 3.41Å; F180-D212 CarbonylContact O-C 3.34Å; F180-D212 WeakPolarHBondContact O-CA 3.26Å; F180-L214 HydrophobicContact CB-CD2 4.08Å; F180-P215 HydrophobicContact CD1-CG 4.38Å; F180-P215 HydrophobicContact CE1-CG 4.4Å; F180-G239 CarbonylContact C-O 3.57Å; F180-F240 HydrophobicContact CD2-CB 3.74Å; F180-F240 HydrophobicContact CE2-CB 4.3Å
181	D	98.4	Very high	96.6	Very high	63 Å²	63	43.3 Å²	43.3	34%	0.337	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	96.2	178.5	-179.4	31.8	0	0	0	108.9	G211 A237 G238 G239	D181-G211 WeakPolarHBondContact CA-O 3.29Å; D181-A237 VanDerWaalsContact O-CB 3.31Å; D181-A237 WeakPolarHBondContact O-CB 3.48Å; D181-G238 PolarHBondContact O-N 3.12Å; D181-G238 WeakPolarHBondContact OD2-CA 3.44Å; D181-G238 PolarHBondContact OD2-N 3.43Å; D181-G239 PolarHBondContact N-O 3.4Å; D181-G239 WeakPolarHBondContact O-CA 3.05Å; D181-G239 PolarHBondContact O-N 3.49Å
182	L	98.5	Very high	96.7	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.021	24%	0.241	C	C	.	.			trans	-117.1	164.3	174.7	-61.6	-174.3	0	0	0	109.9	Y155 F180 D184 D191 V193 G211 F229 F240	Y155-L182 HydrophobicContact CD1-CD2 4.06Å; Y155-L182 HydrophobicContact CE1-CD2 3.37Å; F180-L182 HydrophobicContact CE1-CD1 4.41Å; F180-L182 HydrophobicContact CE1-CG 4.4Å; F180-L182 HydrophobicContact CE2-CD1 4.02Å; F180-L182 HydrophobicContact CE2-CG 4.31Å; F180-L182 HydrophobicContact CZ-CD1 3.65Å; F180-L182 HydrophobicContact CZ-CG 4.02Å; L182-D184 PolarHBondContact O-N 2.75Å; L182-D191 HydrophobicContact CB-CB 4.36Å; L182-V193 HydrophobicContact CD1-CG2 4.18Å; L182-G211 PolarHBondContact N-O 2.92Å; L182-G211 VanDerWaalsContact O-CA 3.24Å; L182-G211 WeakPolarHBondContact O-CA 3.08Å; L182-G211 PolarHBondContact O-N 3.16Å; L182-F229 HydrophobicContact CD1-CD2 4.33Å; L182-F229 HydrophobicContact CD1-CE2 4.04Å; L182-F229 HydrophobicContact CD2-CE2 3.69Å; L182-F229 HydrophobicContact CD2-CZ 4.25Å; L182-F240 HydrophobicContact CD2-CD1 4.25Å
183	E	98.3	Very high	96.8	Very high	41 Å²	41	40.3 Å²	40.3	19%	0.192	23%	0.233	C	C	.	.			trans	-49.2	129	167.3	-176.3	-179.3	-159.8	0	0	110.1	Y155 A190 D191 C210 V235	Y155-E183 PolarHBondContact OH-N 3.42Å; Y155-E183 VanDerWaalsContact OH-N 3.08Å; E183-A190 WeakPolarHBondContact OE2-CB 3.41Å; E183-D191 HydrophobicContact CB-CB 4Å; E183-C210 WeakPolarHBondContact O-CB 3.44Å; E183-V235 HydrophobicContact CB-CG1 4.01Å; E183-V235 VanDerWaalsContact CD-CB 3.45Å; E183-V235 HydrophobicContact CG-CB 4.11Å; E183-V235 HydrophobicContact CG-CG1 3.6Å; E183-V235 WeakPolarHBondContact OE1-CB 3.39Å
184	D	97.3	Very high	96.7	Very high	124 Å²	124	40.7 Å²	40.7	66%	0.663	24%	0.235	S	C	*	.			trans	-96.3	115.5	177.5	-171.2	19.8	0	0	0	109.7	L182	L182-D184 PolarHBondContact O-N 2.75Å
185	D	94.9	Very high	96.7	Very high	27 Å²	27	38.3 Å²	38.3	14%	0.144	22%	0.224	C	C	.	.			trans	-135.3	152.2	175.3	84.7	-86.2	0	0	0	111.7	G187 C188 L189 A190	D185-G187 PolarHBondContact O-N 2.92Å; D185-C188 PolarHBondContact O-N 3.05Å; D185-C188 VanDerWaalsContact OD1-CA 3.24Å; D185-C188 WeakPolarHBondContact OD1-CA 3.46Å; D185-L189 VanDerWaalsContact CG-N 3.26Å; D185-L189 PolarHBondContact OD1-N 2.78Å; D185-L189 WeakPolarHBondContact OD2-CB 3.28Å; D185-L189 PolarHBondContact OD2-N 3.44Å; D185-A190 PolarHBondContact OD1-N 2.94Å
186	P	93.3	Very high	96.6	Very high	128 Å²	128	39.1 Å²	39.1	83%	0.831	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	102.7	178.3	-26.5	35.8	0	0	0	113.3
187	G	89.8	Confident	96.5	Very high	56 Å²	56	40 Å²	40	58%	0.577	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.9	9.3	177.8	0	0	0	0	0	114.8	D185	D185-G187 PolarHBondContact O-N 2.92Å
188	C	95.9	Very high	95.8	Very high	18 Å²	18	40 Å²	40	12%	0.122	23%	0.232	C	C	.	.	S	Bend	trans	52.8	58.9	177.9	-54.9	0	0	0	0	111.1	D185 Y192 R208 C210	D185-C188 PolarHBondContact O-N 3.05Å; D185-C188 VanDerWaalsContact OD1-CA 3.24Å; D185-C188 WeakPolarHBondContact OD1-CA 3.46Å; C188-Y192 VanDerWaalsContact O-CD1 3.31Å; C188-Y192 WeakPolarHBondContact O-CD1 3.44Å; C188-R208 HydrophobicContact CB-CG 3.93Å; C188-R208 WeakPolarHBondContact O-CD 3.48Å; C188-R208 PolarHBondContact O-NH1 3.18Å; C188-R208 VanDerWaalsContact O-NH1 3.11Å; C188-C210 WeakPolarHBondContact CA-SG 3.48Å; C188-C210 HydrophobicContact CB-CB 3.53Å; C188-C210 WeakPolarHBondContact CB-SG 3.42Å; C188-C210 WeakPolarHBondContact SG-CB 3.45Å; C188-C210 PolarHBondContact SG-N 2.95Å; C188-C210 CovalentContact SG-SG 2.03Å; C188-C210 PolarHBondContact SG-SG 2.96Å
189	L	92.7	Very high	94.8	Very high	119 Å²	119	39.6 Å²	39.6	62%	0.623	23%	0.225	S	C	*	.			trans	-98.7	-24	-177.5	-58.5	-177	0	0	0	112.7	D185	D185-L189 VanDerWaalsContact CG-N 3.26Å; D185-L189 PolarHBondContact OD1-N 2.78Å; D185-L189 WeakPolarHBondContact OD2-CB 3.28Å; D185-L189 PolarHBondContact OD2-N 3.44Å
190	A	92.3	Very high	93.7	Very high	9 Å²	9	39.2 Å²	39.2	7%	0.074	22%	0.223	C	C	.	.	S	Bend	trans	-83.7	-82.7	176.8	0	0	0	0	0	109.7	E183 D185 D232	E183-A190 WeakPolarHBondContact OE2-CB 3.41Å; D185-A190 PolarHBondContact OD1-N 2.94Å; A190-D232 HydrophobicContact CB-CB 4.38Å
191	D	97.6	Very high	92.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-106.9	132.9	-178.8	-63.9	-13	0	0	0	111.6	Y155 L182 E183 C210 L230 S231 D232 V235	Y155-D191 WeakPolarHBondContact CE2-OD2 3Å; Y155-D191 PolarHBondContact OH-OD2 2.96Å; L182-D191 HydrophobicContact CB-CB 4.36Å; E183-D191 HydrophobicContact CB-CB 4Å; D191-C210 WeakPolarHBondContact O-CB 3.4Å; D191-L230 WeakPolarHBondContact CA-O 3.39Å; D191-S231 WeakPolarHBondContact OD1-CA 3.45Å; D191-S231 WeakPolarHBondContact OD1-CB 3.28Å; D191-D232 PolarHBondContact OD1-N 2.87Å; D191-V235 VanDerWaalsContact OD2-O 3.05Å
192	Y	98.1	Very high	91	Very high	21 Å²	21	40.6 Å²	40.6	8%	0.082	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	155.6	-177.6	56.1	-100.2	0	0	0	115.1	C188 E194 R208 Y209 K228 F229 L230	C188-Y192 VanDerWaalsContact O-CD1 3.31Å; C188-Y192 WeakPolarHBondContact O-CD1 3.44Å; Y192-E194 HydrophobicContact CD2-CB 4.5Å; Y192-E194 HydrophobicContact CD2-CG 3.61Å; Y192-E194 HydrophobicContact CE2-CG 3.72Å; Y192-E194 VanDerWaalsContact CE2-OE2 3.3Å; Y192-E194 WeakPolarHBondContact CE2-OE2 3.43Å; Y192-R208 HydrophobicContact CD2-CG 4.07Å; Y192-R208 HydrophobicContact CG-CG 3.86Å; Y192-Y209 VanDerWaalsContact CA-O 3.27Å; Y192-Y209 WeakPolarHBondContact CA-O 3.35Å; Y192-K228 PolarHBondContact OH-NZ 3.01Å; Y192-F229 WeakPolarHBondContact O-CA 3.35Å; Y192-F229 VanDerWaalsContact O-CD2 3.31Å; Y192-F229 WeakPolarHBondContact O-CD2 3.47Å; Y192-L230 HydrophobicContact CD2-CB 4.3Å; Y192-L230 HydrophobicContact CE1-CB 4.21Å; Y192-L230 HydrophobicContact CE1-CD2 3.89Å; Y192-L230 HydrophobicContact CE2-CB 3.77Å; Y192-L230 PolarHBondContact N-O 3.47Å; Y192-L230 PolarHBondContact O-N 2.75Å
193	V	98.1	Very high	90.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	123.5	158.2	174.7	0	0	0	0	109.6	F180 L182 I195 R208 Y209 K228 F229 F240 I242	F180-V193 HydrophobicContact CE2-CB 4.27Å; F180-V193 HydrophobicContact CE2-CG2 4.04Å; L182-V193 HydrophobicContact CD1-CG2 4.18Å; V193-I195 HydrophobicContact CG1-CG1 4.19Å; V193-R208 CarbonylContact O-C 3.53Å; V193-R208 WeakPolarHBondContact O-CA 3.15Å; V193-Y209 PolarHBondContact N-O 3.26Å; V193-Y209 WeakPolarHBondContact O-CD2 3.14Å; V193-Y209 PolarHBondContact O-N 2.82Å; V193-K228 CarbonylContact C-O 3.48Å; V193-K228 VanDerWaalsContact CA-O 3.27Å; V193-K228 WeakPolarHBondContact CA-O 3.44Å; V193-F229 HydrophobicContact CG2-CB 4.22Å; V193-F229 HydrophobicContact CG2-CD2 3.99Å; V193-F240 HydrophobicContact CG2-CD1 3.83Å; V193-F240 HydrophobicContact CG2-CE1 3.57Å; V193-F240 HydrophobicContact CG2-CG 4.48Å; V193-F240 HydrophobicContact CG2-CZ 4Å; V193-I242 HydrophobicContact CG1-CD1 4.08Å; V193-I242 HydrophobicContact CG2-CD1 4.45Å
194	E	97	Very high	89.7	Confident	7 Å²	7	45.8 Å²	45.8	3%	0.033	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	142.3	167.7	-72.7	177.1	135	0	0	110.7	Y192 Y196 F205 G207 R208 L227 K228	Y192-E194 HydrophobicContact CD2-CB 4.5Å; Y192-E194 HydrophobicContact CD2-CG 3.61Å; Y192-E194 HydrophobicContact CE2-CG 3.72Å; Y192-E194 VanDerWaalsContact CE2-OE2 3.3Å; Y192-E194 WeakPolarHBondContact CE2-OE2 3.43Å; E194-Y196 HydrophobicContact CB-CD2 4.47Å; E194-Y196 HydrophobicContact CB-CE2 3.6Å; E194-Y196 VanDerWaalsContact CD-OH 3.26Å; E194-Y196 PolarHBondContact OE2-OH 3.36Å; E194-Y196 VanDerWaalsContact OE2-OH 3.07Å; E194-F205 HydrophobicContact CG-CE2 4.21Å; E194-G207 WeakPolarHBondContact CA-O 3.35Å; E194-R208 HydrophobicContact CG-CB 4.02Å; E194-R208 HydrophobicContact CG-CG 3.79Å; E194-R208 IonicContact OE1-CZ 3.38Å; E194-R208 IonicContact OE1-NE 2.87Å; E194-R208 PolarHBondContact OE1-NE 3.18Å; E194-R208 IonicContact OE1-NH2 2.83Å; E194-R208 PolarHBondContact OE1-NH2 2.86Å; E194-L227 WeakPolarHBondContact O-CA 3.2Å; E194-K228 HydrophobicContact CB-CB 4.31Å; E194-K228 PolarHBondContact N-O 2.98Å; E194-K228 PolarHBondContact O-N 3.4Å; E194-K228 WeakPolarHBondContact OE2-CD 3.37Å; E194-K228 IonicContact OE2-NZ 3.06Å; E194-K228 PolarHBondContact OE2-NZ 3.16Å
195	I	98.2	Very high	89.6	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	135	177.4	-59.5	-179.5	0	0	0	109.7	L175 F177 V193 V206 G207 Y209 I218 M225 L227	L175-I195 HydrophobicContact CD2-CD1 3.32Å; L175-I195 HydrophobicContact CD2-CG1 4.37Å; F177-I195 HydrophobicContact CE2-CD1 4.06Å; F177-I195 HydrophobicContact CZ-CD1 3.6Å; V193-I195 HydrophobicContact CG1-CG1 4.19Å; I195-V206 HydrophobicContact CB-CB 4.26Å; I195-V206 HydrophobicContact CG2-CB 4.14Å; I195-V206 HydrophobicContact CG2-CG2 4.13Å; I195-V206 WeakPolarHBondContact O-CB 3.19Å; I195-V206 PolarHBondContact O-N 2.6Å; I195-G207 PolarHBondContact N-O 3.38Å; I195-Y209 HydrophobicContact CB-CE2 4.4Å; I195-Y209 HydrophobicContact CD1-CD2 4.3Å; I195-Y209 HydrophobicContact CD1-CE2 3.83Å; I195-Y209 HydrophobicContact CG1-CD2 4.47Å; I195-Y209 HydrophobicContact CG1-CE2 4.07Å; I195-I218 HydrophobicContact CB-CD1 4.43Å; I195-I218 HydrophobicContact CD1-CD1 3.39Å; I195-I218 HydrophobicContact CG1-CD1 4.47Å; I195-I218 HydrophobicContact CG2-CD1 4.23Å; I195-M225 HydrophobicContact CG2-CG 4.14Å; I195-M225 HydrophobicContact CG2-SD 3.99Å; I195-L227 HydrophobicContact CG1-CG 4.36Å
196	Y	96	Very high	89.7	Confident	16 Å²	16	46.8 Å²	46.8	6%	0.063	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.5	177.6	-55.9	-96	0	0	0	109.8	E194 S198 D200 D201 G204 F205 M225 T226 K228	E194-Y196 HydrophobicContact CB-CD2 4.47Å; E194-Y196 HydrophobicContact CB-CE2 3.6Å; E194-Y196 VanDerWaalsContact CD-OH 3.26Å; E194-Y196 PolarHBondContact OE2-OH 3.36Å; E194-Y196 VanDerWaalsContact OE2-OH 3.07Å; Y196-S198 PolarHBondContact O-N 3.32Å; Y196-D200 VanDerWaalsContact CB-O 3.29Å; Y196-D200 WeakPolarHBondContact CB-O 3.34Å; Y196-D201 HydrophobicContact CD2-CB 4.2Å; Y196-D201 VanDerWaalsContact CE1-C 3.42Å; Y196-D201 HydrophobicContact CE1-CB 4.28Å; Y196-D201 VanDerWaalsContact CE1-O 3.23Å; Y196-D201 WeakPolarHBondContact CE1-O 3.45Å; Y196-D201 HydrophobicContact CE2-CB 3.77Å; Y196-G204 CarbonylContact C-O 3.53Å; Y196-G204 VanDerWaalsContact CA-O 3.31Å; Y196-G204 WeakPolarHBondContact CA-O 3.44Å; Y196-F205 HydrophobicContact CD1-CB 4.06Å; Y196-F205 HydrophobicContact CD1-CD2 4.22Å; Y196-F205 HydrophobicContact CE1-CB 4.06Å; Y196-F205 AromaticContact CE1-CD2 3.69Å; Y196-F205 HydrophobicContact CE1-CD2 3.69Å; Y196-F205 HydrophobicContact CE1-CG 4.38Å; Y196-M225 CarbonylContact O-C 3.6Å; Y196-M225 WeakPolarHBondContact O-CA 3.45Å; Y196-M225 WeakPolarHBondContact O-CG 3.33Å; Y196-T226 PolarHBondContact N-O 3.31Å; Y196-T226 PolarHBondContact O-N 3.47Å; Y196-K228 HydrophobicContact CE2-CB 4.42Å
197	D	96.2	Very high	89.9	Confident	33 Å²	33	41.1 Å²	41.1	18%	0.176	24%	0.235	C	C	.	.	S	Bend	trans	-78.9	50.4	169.3	-168.7	18.7	0	0	0	110.5	G204 V206 S220 T221	D197-G204 PolarHBondContact N-O 2.8Å; D197-V206 HydrophobicContact CB-CG2 3.85Å; D197-S220 WeakPolarHBondContact OD1-CA 3.32Å; D197-S220 WeakPolarHBondContact OD1-CB 3.25Å; D197-T221 PolarHBondContact OD1-N 2.97Å; D197-T221 VanDerWaalsContact OD2-CB 3.23Å; D197-T221 WeakPolarHBondContact OD2-CB 3.46Å; D197-T221 WeakPolarHBondContact OD2-CG2 3.5Å; D197-T221 PolarHBondContact OD2-N 3.32Å; D197-T221 PolarHBondContact OD2-OG1 3.31Å
198	S	83.6	Confident	90.3	Very high	15 Å²	15	42.5 Å²	42.5	11%	0.105	22%	0.223	C	C	.	.	S	Bend	trans	-156.2	173.9	177.1	89	0	0	0	0	109.7	Y196 D200 H203 M225 T226	Y196-S198 PolarHBondContact O-N 3.32Å; S198-D200 VanDerWaalsContact C-N 3.25Å; S198-D200 PolarHBondContact OG-N 3.19Å; S198-D200 VanDerWaalsContact OG-N 3.15Å; S198-D200 PolarHBondContact OG-O 3.05Å; S198-D200 PolarHBondContact OG-OD1 3.24Å; S198-H203 WeakPolarHBondContact CB-O 3.33Å; S198-H203 PolarHBondContact OG-O 2.77Å; S198-M225 CarbonylContact O-C 3.54Å; S198-M225 WeakPolarHBondContact O-CA 3.37Å; S198-T226 PolarHBondContact O-N 2.89Å; S198-T226 VanDerWaalsContact O-N 3.11Å; S198-T226 PolarHBondContact O-OG1 3Å
199	Y	78.9	Confident	90.4	Very high	76 Å²	76	44.1 Å²	44.1	30%	0.298	23%	0.227	S	C	.	.	S	Bend	trans	-86	3.4	176.6	-162.2	-100.9	0	0	0	112.9	E32 V138 H164 R166 V224 T226	E32-Y199 PolarHBondContact OE1-OH 3.39Å; V138-Y199 WeakPolarHBondContact CG2-OH 3.3Å; H164-Y199 HydrophobicContact CB-CD2 4.41Å; H164-Y199 HydrophobicContact CB-CE2 3.79Å; R166-Y199 HydrophobicContact CB-CE2 4.14Å; Y199-V224 HydrophobicContact CD2-CB 4.24Å; Y199-V224 HydrophobicContact CD2-CG1 4.07Å; Y199-T226 VanDerWaalsContact C-OG1 3.25Å; Y199-T226 PolarHBondContact O-OG1 2.97Å
200	D	74.3	Confident	90.7	Very high	59 Å²	59	39.3 Å²	39.3	32%	0.316	20%	0.202	S	C	.	.	S	Bend	trans	-131	175.2	178.5	65.6	56.3	0	0	0	111.6	Y196 S198 V202 H203	Y196-D200 VanDerWaalsContact CB-O 3.29Å; Y196-D200 WeakPolarHBondContact CB-O 3.34Å; S198-D200 VanDerWaalsContact C-N 3.25Å; S198-D200 PolarHBondContact OG-N 3.19Å; S198-D200 VanDerWaalsContact OG-N 3.15Å; S198-D200 PolarHBondContact OG-O 3.05Å; S198-D200 PolarHBondContact OG-OD1 3.24Å; D200-V202 WeakPolarHBondContact OD1-CA 3.43Å; D200-V202 WeakPolarHBondContact OD1-CB 3.46Å; D200-V202 PolarHBondContact OD1-N 3.44Å; D200-H203 IonicContact OD1-CG 4Å; D200-H203 PolarHBondContact OD1-N 3Å; D200-H203 IonicContact OD1-ND1 3.38Å; D200-H203 PolarHBondContact OD1-ND1 3.44Å; D200-H203 VanDerWaalsContact OD1-ND1 3.15Å; D200-H203 IonicContact OD2-CE1 3.41Å; D200-H203 IonicContact OD2-CG 2.58Å; D200-H203 IonicContact OD2-ND1 3.56Å; D200-H203 PolarHBondContact OD2-ND1 2.88Å
201	D	72.3	Confident	90.9	Very high	31 Å²	31	39 Å²	39	17%	0.166	20%	0.2	C	C	.	.	S	Bend	trans	-101.9	23.6	178.8	67.2	-9.4	0	0	0	112.9	R43 Y162 Y196	R43-D201 IonicContact NH2-OD1 2.81Å; R43-D201 PolarHBondContact NH2-OD1 2.77Å; Y162-D201 HydrophobicContact CE1-CB 4.02Å; Y162-D201 WeakPolarHBondContact CE1-OD2 3.46Å; Y162-D201 PolarHBondContact OH-OD2 2.86Å; Y196-D201 HydrophobicContact CD2-CB 4.2Å; Y196-D201 VanDerWaalsContact CE1-C 3.42Å; Y196-D201 HydrophobicContact CE1-CB 4.28Å; Y196-D201 VanDerWaalsContact CE1-O 3.23Å; Y196-D201 WeakPolarHBondContact CE1-O 3.45Å; Y196-D201 HydrophobicContact CE2-CB 3.77Å
202	V	68.4	Low	91	Very high	68 Å²	68	43.8 Å²	43.8	41%	0.412	23%	0.226	S	C	.	.	S	Bend	trans	-115.9	-39.9	-177.1	-174.6	0	0	0	0	110.8	R43 D200	R43-V202 VanDerWaalsContact NH2-CG2 3.31Å; D200-V202 WeakPolarHBondContact OD1-CA 3.43Å; D200-V202 WeakPolarHBondContact OD1-CB 3.46Å; D200-V202 PolarHBondContact OD1-N 3.44Å
203	H	79.9	Confident	90.9	Very high	115 Å²	115	49.6 Å²	49.6	53%	0.532	25%	0.254	S	S	.	.	S	Bend	trans	-110.3	156.6	-175.9	-53.2	103.7	0	0	0	111.2	S198 D200 F205	S198-H203 WeakPolarHBondContact CB-O 3.33Å; S198-H203 PolarHBondContact OG-O 2.77Å; D200-H203 IonicContact OD1-CG 4Å; D200-H203 PolarHBondContact OD1-N 3Å; D200-H203 IonicContact OD1-ND1 3.38Å; D200-H203 PolarHBondContact OD1-ND1 3.44Å; D200-H203 VanDerWaalsContact OD1-ND1 3.15Å; D200-H203 IonicContact OD2-CE1 3.41Å; D200-H203 IonicContact OD2-CG 2.58Å; D200-H203 IonicContact OD2-ND1 3.56Å; D200-H203 PolarHBondContact OD2-ND1 2.88Å; H203-F205 VanDerWaalsContact C-N 3.27Å; H203-F205 PolarHBondContact O-N 2.8Å
204	G	89.5	Confident	90.9	Very high	39 Å²	39	54.5 Å²	54.5	40%	0.402	28%	0.28	S	S	.	.			trans	66	27.1	173	0	0	0	0	0	113.8	Y196 D197 V206	Y196-G204 CarbonylContact C-O 3.53Å; Y196-G204 VanDerWaalsContact CA-O 3.31Å; Y196-G204 WeakPolarHBondContact CA-O 3.44Å; D197-G204 PolarHBondContact N-O 2.8Å; G204-V206 WeakPolarHBondContact O-CG2 3.39Å; G204-V206 PolarHBondContact O-N 3.28Å; G204-V206 VanDerWaalsContact O-N 3.17Å
205	F	94.9	Very high	90.9	Very high	113 Å²	113	55.2 Å²	55.2	50%	0.496	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.3	123.1	174.9	178.7	-102.8	0	0	0	110.5	E194 Y196 H203 G207 R208	E194-F205 HydrophobicContact CG-CE2 4.21Å; Y196-F205 HydrophobicContact CD1-CB 4.06Å; Y196-F205 HydrophobicContact CD1-CD2 4.22Å; Y196-F205 HydrophobicContact CE1-CB 4.06Å; Y196-F205 AromaticContact CE1-CD2 3.69Å; Y196-F205 HydrophobicContact CE1-CD2 3.69Å; Y196-F205 HydrophobicContact CE1-CG 4.38Å; H203-F205 VanDerWaalsContact C-N 3.27Å; H203-F205 PolarHBondContact O-N 2.8Å; F205-G207 VanDerWaalsContact CZ-C 3.45Å; F205-R208 HydrophobicContact CE2-CB 4.35Å; F205-R208 HydrophobicContact CZ-CB 4.03Å
206	V	97.8	Very high	90.9	Very high	60 Å²	60	62.2 Å²	62.2	36%	0.364	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	-49.8	180	-179.4	0	0	0	0	109.7	I195 D197 G204 I218	I195-V206 HydrophobicContact CB-CB 4.26Å; I195-V206 HydrophobicContact CG2-CB 4.14Å; I195-V206 HydrophobicContact CG2-CG2 4.13Å; I195-V206 WeakPolarHBondContact O-CB 3.19Å; I195-V206 PolarHBondContact O-N 2.6Å; D197-V206 HydrophobicContact CB-CG2 3.85Å; G204-V206 WeakPolarHBondContact O-CG2 3.39Å; G204-V206 PolarHBondContact O-N 3.28Å; G204-V206 VanDerWaalsContact O-N 3.17Å; V206-I218 HydrophobicContact CG1-CD1 4.06Å; V206-I218 HydrophobicContact CG1-CG1 4.33Å; V206-I218 HydrophobicContact CG1-CG2 4.12Å
207	G	96.6	Very high	90.9	Very high	9 Å²	9	65.7 Å²	65.7	9%	0.093	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.2	167	-176.3	0	0	0	0	0	112.9	E194 I195 F205	E194-G207 WeakPolarHBondContact CA-O 3.35Å; I195-G207 PolarHBondContact N-O 3.38Å; F205-G207 VanDerWaalsContact CZ-C 3.45Å
208	R	97.6	Very high	91	Very high	85 Å²	85	65.1 Å²	65.1	32%	0.321	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	135.1	172.8	-174	-177.9	-61.8	179.5	-6.1	108.3	C188 Y192 V193 E194 F205	C188-R208 HydrophobicContact CB-CG 3.93Å; C188-R208 WeakPolarHBondContact O-CD 3.48Å; C188-R208 PolarHBondContact O-NH1 3.18Å; C188-R208 VanDerWaalsContact O-NH1 3.11Å; Y192-R208 HydrophobicContact CD2-CG 4.07Å; Y192-R208 HydrophobicContact CG-CG 3.86Å; V193-R208 CarbonylContact O-C 3.53Å; V193-R208 WeakPolarHBondContact O-CA 3.15Å; E194-R208 HydrophobicContact CG-CB 4.02Å; E194-R208 HydrophobicContact CG-CG 3.79Å; E194-R208 IonicContact OE1-CZ 3.38Å; E194-R208 IonicContact OE1-NE 2.87Å; E194-R208 PolarHBondContact OE1-NE 3.18Å; E194-R208 IonicContact OE1-NH2 2.83Å; E194-R208 PolarHBondContact OE1-NH2 2.86Å; F205-R208 HydrophobicContact CE2-CB 4.35Å; F205-R208 HydrophobicContact CZ-CB 4.03Å
209	Y	98.3	Very high	91.7	Very high	52 Å²	52	68.8 Å²	68.8	20%	0.204	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	138.6	-170	-49.8	-83.5	0	0	0	110.5	F177 Y192 V193 I195 P215 I218	F177-Y209 HydrophobicContact CZ-CD2 4.27Å; Y192-Y209 VanDerWaalsContact CA-O 3.27Å; Y192-Y209 WeakPolarHBondContact CA-O 3.35Å; V193-Y209 PolarHBondContact N-O 3.26Å; V193-Y209 WeakPolarHBondContact O-CD2 3.14Å; V193-Y209 PolarHBondContact O-N 2.82Å; I195-Y209 HydrophobicContact CB-CE2 4.4Å; I195-Y209 HydrophobicContact CD1-CD2 4.3Å; I195-Y209 HydrophobicContact CD1-CE2 3.83Å; I195-Y209 HydrophobicContact CG1-CD2 4.47Å; I195-Y209 HydrophobicContact CG1-CE2 4.07Å; Y209-P215 HydrophobicContact CD1-CB 3.56Å; Y209-P215 HydrophobicContact CD1-CG 3.63Å; Y209-P215 HydrophobicContact CE1-CB 3.78Å; Y209-P215 HydrophobicContact CE1-CG 4.35Å; Y209-P215 HydrophobicContact CG-CB 4.14Å; Y209-P215 HydrophobicContact CG-CG 3.83Å; Y209-I218 HydrophobicContact CE2-CD1 4.38Å
210	C	98.4	Very high	92.6	Very high	17 Å²	17	65.3 Å²	65.3	12%	0.115	34%	0.343	C	S	.	.			trans	-153.2	177.3	176.2	67.6	0	0	0	0	110.2	E183 C188 D191	E183-C210 WeakPolarHBondContact O-CB 3.44Å; C188-C210 WeakPolarHBondContact CA-SG 3.48Å; C188-C210 HydrophobicContact CB-CB 3.53Å; C188-C210 WeakPolarHBondContact CB-SG 3.42Å; C188-C210 WeakPolarHBondContact SG-CB 3.45Å; C188-C210 PolarHBondContact SG-N 2.95Å; C188-C210 CovalentContact SG-SG 2.03Å; C188-C210 PolarHBondContact SG-SG 2.96Å; D191-C210 WeakPolarHBondContact O-CB 3.4Å
211	G	98.2	Very high	93.6	Very high	3 Å²	3	68 Å²	68	3%	0.031	36%	0.361	C	S	.	.	S	Bend	trans	76	-159.9	-174.4	0	0	0	0	0	114.3	F180 D181 L182	F180-G211 VanDerWaalsContact CD1-O 3.32Å; F180-G211 WeakPolarHBondContact CD1-O 3.41Å; D181-G211 WeakPolarHBondContact CA-O 3.29Å; L182-G211 PolarHBondContact N-O 2.92Å; L182-G211 VanDerWaalsContact O-CA 3.24Å; L182-G211 WeakPolarHBondContact O-CA 3.08Å; L182-G211 PolarHBondContact O-N 3.16Å
212	D	97.9	Very high	94.7	Very high	101 Å²	101	67.5 Å²	67.5	54%	0.54	36%	0.364	S	S	.	.	S	Bend	trans	-107.2	0.9	-171.2	71.9	-6.5	0	0	0	114.3	F180	F180-D212 CarbonylContact O-C 3.34Å; F180-D212 WeakPolarHBondContact O-CA 3.26Å
213	Q	97.1	Very high	96	Very high	143 Å²	143	65.4 Å²	65.4	67%	0.668	35%	0.351	S	S	*	.	S	Bend	trans	-85.6	122.7	179.8	-62.1	-56.7	-63.8	0	0	110.1	P215	Q213-P215 WeakPolarHBondContact O-CD 3.37Å
214	L	97.4	Very high	96.5	Very high	103 Å²	103	61.5 Å²	61.5	54%	0.539	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-60.2	119.2	174.4	-84.2	162.9	0	0	0	110.7	F177 F180	F177-L214 HydrophobicContact CB-CD2 3.61Å; F180-L214 HydrophobicContact CB-CD2 4.08Å
215	P	97	Very high	96.9	Very high	22 Å²	22	59.7 Å²	59.7	14%	0.143	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-68.4	156.6	174.9	-19.5	32.7	0	0	0	112.8	F177 F180 Y209 Q213	F177-P215 HydrophobicContact CD1-CG 3.93Å; F177-P215 HydrophobicContact CD2-CB 3.74Å; F177-P215 HydrophobicContact CD2-CG 4.04Å; F177-P215 HydrophobicContact CE1-CB 4.4Å; F177-P215 HydrophobicContact CE1-CG 3.82Å; F177-P215 HydrophobicContact CE2-CB 3.6Å; F177-P215 HydrophobicContact CE2-CG 3.95Å; F177-P215 HydrophobicContact CG-CB 4.23Å; F177-P215 HydrophobicContact CG-CG 4.04Å; F177-P215 HydrophobicContact CZ-CB 3.94Å; F177-P215 HydrophobicContact CZ-CG 3.82Å; F180-P215 HydrophobicContact CD1-CG 4.38Å; F180-P215 HydrophobicContact CE1-CG 4.4Å; Y209-P215 HydrophobicContact CD1-CB 3.56Å; Y209-P215 HydrophobicContact CD1-CG 3.63Å; Y209-P215 HydrophobicContact CE1-CB 3.78Å; Y209-P215 HydrophobicContact CE1-CG 4.35Å; Y209-P215 HydrophobicContact CG-CB 4.14Å; Y209-P215 HydrophobicContact CG-CG 3.83Å; Q213-P215 WeakPolarHBondContact O-CD 3.37Å
216	D	97.6	Very high	96.6	Very high	146 Å²	146	54.3 Å²	54.3	78%	0.781	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-62.8	152.2	174.1	-72.8	-33.2	0	0	0	112.2
217	D	97.6	Very high	96.5	Very high	90 Å²	90	51.5 Å²	51.5	48%	0.481	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-62	143.6	173.2	-80.7	7.4	0	0	0	112	H174 L175 S176	H174-D217 IonicContact CD2-OD2 3.39Å; H174-D217 IonicContact CE1-OD2 2.84Å; H174-D217 PolarHBondContact CE1-OD2 3.38Å; H174-D217 IonicContact NE2-OD2 3.23Å; H174-D217 PolarHBondContact NE2-OD2 3.44Å; L175-D217 WeakPolarHBondContact O-CA 3.37Å; S176-D217 VanDerWaalsContact CA-OD1 3.23Å; S176-D217 WeakPolarHBondContact CA-OD1 3.33Å; S176-D217 WeakPolarHBondContact CB-OD1 3.27Å
218	I	98.1	Very high	96.2	Very high	20 Å²	20	51.5 Å²	51.5	10%	0.103	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	133.9	-177.7	-61.8	158.9	0	0	0	109.5	H174 L175 F177 I195 V206 Y209 M225	H174-I218 CarbonylContact C-O 3.55Å; H174-I218 WeakPolarHBondContact CA-O 3.32Å; L175-I218 HydrophobicContact CB-CB 4.32Å; L175-I218 HydrophobicContact CD2-CD1 4.42Å; L175-I218 PolarHBondContact N-O 3.43Å; L175-I218 PolarHBondContact O-N 2.97Å; F177-I218 HydrophobicContact CE2-CD1 4.38Å; I195-I218 HydrophobicContact CB-CD1 4.43Å; I195-I218 HydrophobicContact CD1-CD1 3.39Å; I195-I218 HydrophobicContact CG1-CD1 4.47Å; I195-I218 HydrophobicContact CG2-CD1 4.23Å; V206-I218 HydrophobicContact CG1-CD1 4.06Å; V206-I218 HydrophobicContact CG1-CG1 4.33Å; V206-I218 HydrophobicContact CG1-CG2 4.12Å; Y209-I218 HydrophobicContact CE2-CD1 4.38Å; I218-M225 HydrophobicContact CG2-CE 3.89Å
219	I	97.8	Very high	96	Very high	92 Å²	92	47.4 Å²	47.4	47%	0.472	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	122.7	171.9	-58	176	0	0	0	108.4	H172 I173 H174	H172-I219 HydrophobicContact CB-CG2 4.32Å; I173-I219 WeakPolarHBondContact O-CA 3.44Å; H174-I219 HydrophobicContact CB-CG1 4.36Å
220	S	97.6	Very high	95.6	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.021	26%	0.256	C	S	.	.			trans	-67	154.6	177.6	60.5	0	0	0	0	112.8	I173 D197 G222	I173-S220 WeakPolarHBondContact CB-OG 3.07Å; I173-S220 PolarHBondContact N-OG 3.2Å; I173-S220 PolarHBondContact O-N 2.79Å; I173-S220 PolarHBondContact O-OG 2.89Å; D197-S220 WeakPolarHBondContact OD1-CA 3.32Å; D197-S220 WeakPolarHBondContact OD1-CB 3.25Å; S220-G222 VanDerWaalsContact C-N 3.33Å; S220-G222 PolarHBondContact OG-O 2.75Å
221	T	96.4	Very high	95.3	Very high	115 Å²	115	45.9 Å²	45.9	71%	0.706	25%	0.251	S	S	*	.	S	Bend	trans	-81.4	-15.4	170.8	60	0	0	0	0	113	H172 D197	H172-T221 VanDerWaalsContact CE1-C 3.42Å; H172-T221 PolarHBondContact CE1-O 3.1Å; D197-T221 PolarHBondContact OD1-N 2.97Å; D197-T221 VanDerWaalsContact OD2-CB 3.23Å; D197-T221 WeakPolarHBondContact OD2-CB 3.46Å; D197-T221 WeakPolarHBondContact OD2-CG2 3.5Å; D197-T221 PolarHBondContact OD2-N 3.32Å; D197-T221 PolarHBondContact OD2-OG1 3.31Å
222	G	95.4	Very high	94.7	Very high	22 Å²	22	48.3 Å²	48.3	23%	0.227	26%	0.264	C	S	.	.	S	Bend	trans	-135.1	-164.3	-178.4	0	0	0	0	0	113.1	Q171 H172 S220	Q171-G222 CarbonylContact O-C 3.6Å; H172-G222 WeakPolarHBondContact CA-O 3.37Å; H172-G222 PolarHBondContact ND1-O 2.8Å; H172-G222 VanDerWaalsContact ND1-O 3.15Å; S220-G222 VanDerWaalsContact C-N 3.33Å; S220-G222 PolarHBondContact OG-O 2.75Å
223	N	94.5	Very high	94.2	Very high	24 Å²	24	46.6 Å²	46.6	13%	0.128	26%	0.264	C	S	.	.	S	Bend	trans	-96	13.6	178.3	66.3	-58.2	0	0	0	112.9	R166 L167 K168 Q171	R166-N223 WeakPolarHBondContact CA-O 3.41Å; L167-N223 HydrophobicContact CB-CB 4.23Å; L167-N223 PolarHBondContact N-O 2.77Å; L167-N223 PolarHBondContact O-ND2 2.73Å; K168-N223 WeakPolarHBondContact O-CB 3.33Å; Q171-N223 WeakPolarHBondContact O-CA 3Å; Q171-N223 WeakPolarHBondContact O-CB 3.38Å; Q171-N223 PolarHBondContact O-N 2.84Å
224	V	91.4	Very high	93.9	Very high	33 Å²	33	42.6 Å²	42.6	20%	0.2	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	144.5	-179.7	-64.1	0	0	0	0	110.8	I165 R166 I173 Y199	I165-V224 VanDerWaalsContact O-CA 3.26Å; I165-V224 WeakPolarHBondContact O-CA 3.49Å; R166-V224 HydrophobicContact CB-CG1 4.44Å; R166-V224 HydrophobicContact CG-CG1 4.12Å; I173-V224 VanDerWaalsContact CD1-C 3.41Å; Y199-V224 HydrophobicContact CD2-CB 4.24Å; Y199-V224 HydrophobicContact CD2-CG1 4.07Å
225	M	96.6	Very high	93.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	144.8	174	-177.9	-176.1	-76.2	0	0	108.6	I165 I173 L175 I195 Y196 S198 I218 L227	I165-M225 HydrophobicContact CB-CB 4.49Å; I165-M225 HydrophobicContact CD1-CB 4.39Å; I165-M225 HydrophobicContact CD1-SD 4.48Å; I165-M225 PolarHBondContact N-O 3.48Å; I165-M225 PolarHBondContact O-N 2.72Å; I165-M225 VanDerWaalsContact O-N 3.15Å; I173-M225 HydrophobicContact CB-CE 4.35Å; I173-M225 HydrophobicContact CD1-CB 3.54Å; I173-M225 HydrophobicContact CG2-CE 4.19Å; I173-M225 HydrophobicContact CG2-SD 4.14Å; L175-M225 HydrophobicContact CB-CE 4.4Å; L175-M225 HydrophobicContact CB-SD 4.13Å; L175-M225 HydrophobicContact CD1-SD 4.17Å; L175-M225 HydrophobicContact CD2-SD 4.09Å; L175-M225 HydrophobicContact CG-SD 4.37Å; I195-M225 HydrophobicContact CG2-CG 4.14Å; I195-M225 HydrophobicContact CG2-SD 3.99Å; Y196-M225 CarbonylContact O-C 3.6Å; Y196-M225 WeakPolarHBondContact O-CA 3.45Å; Y196-M225 WeakPolarHBondContact O-CG 3.33Å; S198-M225 CarbonylContact O-C 3.54Å; S198-M225 WeakPolarHBondContact O-CA 3.37Å; I218-M225 HydrophobicContact CG2-CE 3.89Å; M225-L227 HydrophobicContact CG-CD1 4.08Å; M225-L227 HydrophobicContact SD-CD1 4.04Å
226	T	89.2	Confident	93.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	132.3	175.8	-60.7	0	0	0	0	109.8	Y162 W163 H164 Y196 S198 Y199	Y162-T226 HydrophobicContact CD1-CG2 4.2Å; W163-T226 WeakPolarHBondContact O-CA 3.36Å; H164-T226 VanDerWaalsContact CE1-CG2 3.48Å; H164-T226 WeakPolarHBondContact CE1-CG2 3.35Å; H164-T226 WeakPolarHBondContact ND1-CG2 3.18Å; H164-T226 PolarHBondContact ND1-OG1 2.96Å; Y196-T226 PolarHBondContact N-O 3.31Å; Y196-T226 PolarHBondContact O-N 3.47Å; S198-T226 PolarHBondContact O-N 2.89Å; S198-T226 VanDerWaalsContact O-N 3.11Å; S198-T226 PolarHBondContact O-OG1 3Å; Y199-T226 VanDerWaalsContact C-OG1 3.25Å; Y199-T226 PolarHBondContact O-OG1 2.97Å
227	L	95.4	Very high	93.8	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	135.1	170.4	-69.3	74.5	0	0	0	108.4	F146 Y162 W163 I165 L175 E194 I195 M225 I242	F146-L227 HydrophobicContact CD2-CD2 4.13Å; Y162-L227 CarbonylContact C-O 3.58Å; Y162-L227 WeakPolarHBondContact CA-O 3.5Å; W163-L227 HydrophobicContact CB-CB 4.35Å; W163-L227 HydrophobicContact CE3-CB 4.09Å; W163-L227 PolarHBondContact N-O 3.14Å; W163-L227 PolarHBondContact O-N 3.19Å; I165-L227 HydrophobicContact CD1-CD1 3.82Å; I165-L227 HydrophobicContact CG1-CD1 4.47Å; L175-L227 HydrophobicContact CD1-CD1 4.21Å; L175-L227 HydrophobicContact CD1-CD2 4.07Å; L175-L227 HydrophobicContact CD2-CD2 4.15Å; L175-L227 HydrophobicContact CD2-CG 4.49Å; E194-L227 WeakPolarHBondContact O-CA 3.2Å; I195-L227 HydrophobicContact CG1-CG 4.36Å; M225-L227 HydrophobicContact CG-CD1 4.08Å; M225-L227 HydrophobicContact SD-CD1 4.04Å; L227-I242 HydrophobicContact CD2-CB 4.46Å; L227-I242 HydrophobicContact CD2-CD1 3.98Å; L227-I242 HydrophobicContact CD2-CG2 3.9Å
228	K	90.6	Very high	93.8	Very high	9 Å²	9	32.9 Å²	32.9	4%	0.039	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	125.5	175.1	174.3	-171.9	166	-151.9	0	108.9	C161 Y162 Y192 V193 E194 Y196	C161-K228 CarbonylContact O-C 3.59Å; C161-K228 VanDerWaalsContact O-CA 3.26Å; C161-K228 WeakPolarHBondContact O-CA 3.17Å; Y162-K228 HydrophobicContact CD1-CB 4.04Å; Y162-K228 HydrophobicContact CD1-CG 4.23Å; Y162-K228 HydrophobicContact CE1-CB 3.87Å; Y162-K228 HydrophobicContact CE1-CD 3.75Å; Y162-K228 HydrophobicContact CE1-CG 3.75Å; Y162-K228 HydrophobicContact CE2-CD 4.44Å; Y162-K228 HydrophobicContact CE2-CG 4.2Å; Y162-K228 WeakPolarHBondContact OH-CD 3.26Å; Y192-K228 PolarHBondContact OH-NZ 3.01Å; V193-K228 CarbonylContact C-O 3.48Å; V193-K228 VanDerWaalsContact CA-O 3.27Å; V193-K228 WeakPolarHBondContact CA-O 3.44Å; E194-K228 HydrophobicContact CB-CB 4.31Å; E194-K228 PolarHBondContact N-O 2.98Å; E194-K228 PolarHBondContact O-N 3.4Å; E194-K228 WeakPolarHBondContact OE2-CD 3.37Å; E194-K228 IonicContact OE2-NZ 3.06Å; E194-K228 PolarHBondContact OE2-NZ 3.16Å; Y196-K228 HydrophobicContact CE2-CB 4.42Å
229	F	94.3	Very high	93.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	136.7	166.9	170.2	-121.4	0	0	0	108.9	Y155 Q159 I160 C161 W163 L182 Y192 V193 F240	Y155-F229 HydrophobicContact CD1-CZ 4.21Å; Y155-F229 HydrophobicContact CD2-CE1 4.49Å; Y155-F229 AromaticContact CD2-CZ 3.82Å; Y155-F229 HydrophobicContact CD2-CZ 3.82Å; Y155-F229 HydrophobicContact CE2-CZ 4.14Å; Y155-F229 HydrophobicContact CG-CE1 4.38Å; Y155-F229 AromaticContact CG-CZ 3.85Å; Y155-F229 HydrophobicContact CG-CZ 3.85Å; Q159-F229 HydrophobicContact CB-CE1 4.35Å; I160-F229 CarbonylContact C-O 3.59Å; I160-F229 WeakPolarHBondContact CA-O 3.43Å; C161-F229 HydrophobicContact CB-CB 4.14Å; C161-F229 HydrophobicContact CB-CD1 4.45Å; C161-F229 PolarHBondContact N-O 3.18Å; C161-F229 PolarHBondContact O-N 2.79Å; W163-F229 HydrophobicContact CH2-CB 4Å; W163-F229 HydrophobicContact CZ3-CB 3.67Å; L182-F229 HydrophobicContact CD1-CD2 4.33Å; L182-F229 HydrophobicContact CD1-CE2 4.04Å; L182-F229 HydrophobicContact CD2-CE2 3.69Å; L182-F229 HydrophobicContact CD2-CZ 4.25Å; Y192-F229 WeakPolarHBondContact O-CA 3.35Å; Y192-F229 VanDerWaalsContact O-CD2 3.31Å; Y192-F229 WeakPolarHBondContact O-CD2 3.47Å; V193-F229 HydrophobicContact CG2-CB 4.22Å; V193-F229 HydrophobicContact CG2-CD2 3.99Å; F229-F240 HydrophobicContact CB-CE1 3.9Å; F229-F240 HydrophobicContact CB-CZ 3.91Å; F229-F240 HydrophobicContact CD1-CE1 4.04Å; F229-F240 HydrophobicContact CD1-CZ 4.45Å; F229-F240 HydrophobicContact CD2-CD1 4.46Å; F229-F240 AromaticContact CD2-CE1 3.62Å; F229-F240 HydrophobicContact CD2-CE1 3.62Å; F229-F240 HydrophobicContact CD2-CZ 4.47Å; F229-F240 HydrophobicContact CE1-CE1 4.49Å; F229-F240 HydrophobicContact CE2-CE1 4.13Å; F229-F240 AromaticContact CG-CE1 3.58Å; F229-F240 HydrophobicContact CG-CE1 3.58Å; F229-F240 HydrophobicContact CG-CZ 4.04Å
230	L	90.1	Very high	93.8	Very high	32 Å²	32	27.5 Å²	27.5	17%	0.168	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	135.2	172.1	-174.3	143.5	0	0	0	109	Q159 I160 D191 Y192	Q159-L230 CarbonylContact O-C 3.23Å; Q159-L230 VanDerWaalsContact O-CA 3.27Å; Q159-L230 WeakPolarHBondContact O-CA 3.47Å; I160-L230 HydrophobicContact CD1-CD1 3.66Å; I160-L230 HydrophobicContact CD1-CG 4.35Å; I160-L230 HydrophobicContact CG1-CD1 3.89Å; I160-L230 HydrophobicContact CG1-CG 4.06Å; D191-L230 WeakPolarHBondContact CA-O 3.39Å; Y192-L230 HydrophobicContact CD2-CB 4.3Å; Y192-L230 HydrophobicContact CE1-CB 4.21Å; Y192-L230 HydrophobicContact CE1-CD2 3.89Å; Y192-L230 HydrophobicContact CE2-CB 3.77Å; Y192-L230 PolarHBondContact N-O 3.47Å; Y192-L230 PolarHBondContact O-N 2.75Å
231	S	90.4	Very high	93.8	Very high	4 Å²	4	29.2 Å²	29.2	3%	0.028	19%	0.19	C	C	.	.			trans	-116	146.6	163.3	60.5	0	0	0	0	111.7	E156 N158 Q159 D191	E156-S231 PolarHBondContact O-OG 2.89Å; N158-S231 WeakPolarHBondContact CA-O 3.25Å; N158-S231 PolarHBondContact N-O 2.87Å; N158-S231 PolarHBondContact N-OG 3.32Å; Q159-S231 WeakPolarHBondContact CB-OG 3.41Å; Q159-S231 PolarHBondContact N-OG 2.8Å; Q159-S231 PolarHBondContact O-N 3.48Å; D191-S231 WeakPolarHBondContact OD1-CA 3.45Å; D191-S231 WeakPolarHBondContact OD1-CB 3.28Å
232	D	87.1	Confident	93.9	Very high	54 Å²	54	23.7 Å²	23.7	29%	0.289	16%	0.156	S	C	.	.			trans	-86.1	-161.7	-178.2	99.6	-1.7	0	0	0	112.5	D157 N158 A190 D191 S234	D157-D232 CarbonylContact C-O 3.58Å; D157-D232 WeakPolarHBondContact CA-O 2.98Å; D157-D232 WeakPolarHBondContact CB-O 3.46Å; N158-D232 PolarHBondContact N-O 2.63Å; A190-D232 HydrophobicContact CB-CB 4.38Å; D191-D232 PolarHBondContact OD1-N 2.87Å; D232-S234 VanDerWaalsContact C-N 3.3Å; D232-S234 PolarHBondContact O-N 3.1Å; D232-S234 PolarHBondContact OD1-N 2.85Å
233	A	86.6	Confident	94.1	Very high	66 Å²	66	25.3 Å²	25.3	55%	0.545	16%	0.157	S	C	.	.	S	Bend	trans	-82.7	0.7	-176.3	0	0	0	0	0	114.9
234	S	90.9	Very high	94.3	Very high	58 Å²	58	24.2 Å²	24.2	41%	0.406	15%	0.151	S	C	.	.	S	Bend	trans	-161.1	167.2	-177.4	56.3	0	0	0	0	113.2	D157 D232	D157-S234 VanDerWaalsContact OD1-CA 3.27Å; D157-S234 WeakPolarHBondContact OD1-CA 3.48Å; D157-S234 PolarHBondContact OD1-N 3.24Å; D232-S234 VanDerWaalsContact C-N 3.3Å; D232-S234 PolarHBondContact O-N 3.1Å; D232-S234 PolarHBondContact OD1-N 2.85Å
235	V	96.4	Very high	94.6	Very high	80 Å²	80	24.1 Å²	24.1	49%	0.485	15%	0.15	S	C	.	.			trans	63.1	99.6	173.5	-173.4	0	0	0	0	112.2	E183 D191	E183-V235 HydrophobicContact CB-CG1 4.01Å; E183-V235 VanDerWaalsContact CD-CB 3.45Å; E183-V235 HydrophobicContact CG-CB 4.11Å; E183-V235 HydrophobicContact CG-CG1 3.6Å; E183-V235 WeakPolarHBondContact OE1-CB 3.39Å; D191-V235 VanDerWaalsContact OD2-O 3.05Å
236	T	96.5	Very high	94.6	Very high	44 Å²	44	25.3 Å²	25.3	27%	0.27	16%	0.16	S	C	.	.			trans	-106.5	157	178.6	52.8	0	0	0	0	110.8	E154 Y155 D157	E154-T236 PolarHBondContact OE2-OG1 3.04Å; Y155-T236 HydrophobicContact CD2-CG2 4.04Å; Y155-T236 HydrophobicContact CE2-CG2 4.02Å; Y155-T236 VanDerWaalsContact O-CB 3.24Å; Y155-T236 WeakPolarHBondContact O-CB 3.28Å; Y155-T236 WeakPolarHBondContact O-CG2 3.08Å; D157-T236 WeakPolarHBondContact OD1-CG2 3.37Å
237	A	97.6	Very high	95	Very high	13 Å²	13	27.1 Å²	27.1	11%	0.107	17%	0.171	C	C	.	.			trans	-140.3	-176.2	178.4	0	0	0	0	0	111	E154 Y155 D181 G239	E154-A237 WeakPolarHBondContact CA-O 3.36Å; E154-A237 WeakPolarHBondContact CB-O 3.23Å; Y155-A237 WeakPolarHBondContact CD1-O 3.2Å; Y155-A237 HydrophobicContact CE1-CB 3.96Å; Y155-A237 VanDerWaalsContact CE1-N 3.34Å; Y155-A237 WeakPolarHBondContact CE1-O 3.3Å; Y155-A237 VanDerWaalsContact CZ-N 3.34Å; Y155-A237 PolarHBondContact N-O 3.45Å; Y155-A237 PolarHBondContact OH-N 2.84Å; D181-A237 VanDerWaalsContact O-CB 3.31Å; D181-A237 WeakPolarHBondContact O-CB 3.48Å; A237-G239 PolarHBondContact O-N 3.41Å
238	G	97.8	Very high	94.8	Very high	20 Å²	20	33 Å²	33	21%	0.206	20%	0.203	C	C	.	.			trans	-62.8	-14.8	-171.6	0	0	0	0	0	115.8	F151 D181	F151-G238 WeakPolarHBondContact CD2-O 3.41Å; D181-G238 PolarHBondContact O-N 3.12Å; D181-G238 WeakPolarHBondContact OD2-CA 3.44Å; D181-G238 PolarHBondContact OD2-N 3.43Å
239	G	97.8	Very high	94.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84.3	-145.6	176.9	0	0	0	0	0	113.1	S148 F180 D181 A237	S148-G239 WeakPolarHBondContact OG-CA 3.25Å; F180-G239 CarbonylContact C-O 3.57Å; D181-G239 PolarHBondContact N-O 3.4Å; D181-G239 WeakPolarHBondContact O-CA 3.05Å; D181-G239 PolarHBondContact O-N 3.49Å; A237-G239 PolarHBondContact O-N 3.41Å
240	F	97.9	Very high	93.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	161.2	-176.4	61	-97.4	0	0	0	114	K147 S148 W163 D179 F180 L182 V193 F229 I242	K147-F240 VanDerWaalsContact CA-O 3.29Å; K147-F240 WeakPolarHBondContact CA-O 2.87Å; S148-F240 PolarHBondContact N-O 2.88Å; S148-F240 PolarHBondContact OG-N 3.04Å; W163-F240 HydrophobicContact CH2-CE2 4.08Å; W163-F240 AromaticContact CH2-CZ 3.54Å; W163-F240 HydrophobicContact CH2-CZ 3.54Å; W163-F240 HydrophobicContact CZ2-CZ 4.44Å; W163-F240 HydrophobicContact CZ3-CE2 4.38Å; W163-F240 AromaticContact CZ3-CZ 3.85Å; W163-F240 HydrophobicContact CZ3-CZ 3.85Å; D179-F240 VanDerWaalsContact O-CA 3.28Å; D179-F240 WeakPolarHBondContact O-CA 3.31Å; D179-F240 WeakPolarHBondContact O-CB 3.49Å; F180-F240 HydrophobicContact CD2-CB 3.74Å; F180-F240 HydrophobicContact CE2-CB 4.3Å; L182-F240 HydrophobicContact CD2-CD1 4.25Å; V193-F240 HydrophobicContact CG2-CD1 3.83Å; V193-F240 HydrophobicContact CG2-CE1 3.57Å; V193-F240 HydrophobicContact CG2-CG 4.48Å; V193-F240 HydrophobicContact CG2-CZ 4Å; F229-F240 HydrophobicContact CB-CE1 3.9Å; F229-F240 HydrophobicContact CB-CZ 3.91Å; F229-F240 HydrophobicContact CD1-CE1 4.04Å; F229-F240 HydrophobicContact CD1-CZ 4.45Å; F229-F240 HydrophobicContact CD2-CD1 4.46Å; F229-F240 AromaticContact CD2-CE1 3.62Å; F229-F240 HydrophobicContact CD2-CE1 3.62Å; F229-F240 HydrophobicContact CD2-CZ 4.47Å; F229-F240 HydrophobicContact CE1-CE1 4.49Å; F229-F240 HydrophobicContact CE2-CE1 4.13Å; F229-F240 AromaticContact CG-CE1 3.58Å; F229-F240 HydrophobicContact CG-CE1 3.58Å; F229-F240 HydrophobicContact CG-CZ 4.04Å; F240-I242 HydrophobicContact CD2-CB 4.45Å; F240-I242 HydrophobicContact CD2-CD1 3.61Å; F240-I242 HydrophobicContact CD2-CG1 3.68Å; F240-I242 HydrophobicContact CE2-CD1 3.82Å; F240-I242 HydrophobicContact CE2-CG1 4.25Å; F240-I242 HydrophobicContact CG-CD1 4.25Å; F240-I242 HydrophobicContact CG-CG1 4.39Å
241	Q	98	Very high	91.5	Very high	38 Å²	38	43.2 Å²	43.2	18%	0.178	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	120.2	160.8	-66.9	-170.4	66	0	0	109.8	I145 F146 K147 F151 L178 D179	I145-Q241 HydrophobicContact CG2-CB 4.37Å; F146-Q241 CarbonylContact O-C 3.35Å; F146-Q241 WeakPolarHBondContact O-CA 3.46Å; K147-Q241 HydrophobicContact CD-CG 4.09Å; K147-Q241 VanDerWaalsContact CE-OE1 3.24Å; K147-Q241 HydrophobicContact CG-CG 4.03Å; F151-Q241 HydrophobicContact CD1-CG 4.03Å; F151-Q241 HydrophobicContact CD2-CG 4.32Å; F151-Q241 HydrophobicContact CE1-CG 3.67Å; F151-Q241 HydrophobicContact CE2-CG 3.96Å; F151-Q241 HydrophobicContact CG-CG 4.37Å; F151-Q241 HydrophobicContact CZ-CG 3.64Å; L178-Q241 HydrophobicContact CB-CB 4.08Å; L178-Q241 WeakPolarHBondContact CB-O 2.88Å; L178-Q241 PolarHBondContact N-O 3.23Å; D179-Q241 HydrophobicContact CB-CB 4.01Å; D179-Q241 HydrophobicContact CB-CG 4.26Å; D179-Q241 PolarHBondContact N-O 2.01Å; D179-Q241 PolarHBondContact O-N 3.02Å
242	I	98.2	Very high	89.5	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.9	179.3	-61.5	168.7	0	0	0	108.9	I145 F146 L175 F177 V193 L227 F240	I145-I242 CarbonylContact C-O 3.52Å; I145-I242 WeakPolarHBondContact CA-O 3.42Å; F146-I242 PolarHBondContact N-O 2.03Å; F146-I242 PolarHBondContact O-N 3.22Å; L175-I242 HydrophobicContact CD1-CG2 3.5Å; L175-I242 HydrophobicContact CD2-CG2 3.9Å; L175-I242 HydrophobicContact CG-CG2 3.6Å; F177-I242 HydrophobicContact CD1-CD1 3.88Å; F177-I242 HydrophobicContact CD1-CG1 3.57Å; F177-I242 HydrophobicContact CE1-CD1 3.5Å; F177-I242 HydrophobicContact CE1-CG1 3.75Å; F177-I242 HydrophobicContact CG-CG1 4.34Å; F177-I242 HydrophobicContact CZ-CD1 4.28Å; V193-I242 HydrophobicContact CG1-CD1 4.08Å; V193-I242 HydrophobicContact CG2-CD1 4.45Å; L227-I242 HydrophobicContact CD2-CB 4.46Å; L227-I242 HydrophobicContact CD2-CD1 3.98Å; L227-I242 HydrophobicContact CD2-CG2 3.9Å; F240-I242 HydrophobicContact CD2-CB 4.45Å; F240-I242 HydrophobicContact CD2-CD1 3.61Å; F240-I242 HydrophobicContact CD2-CG1 3.68Å; F240-I242 HydrophobicContact CE2-CD1 3.82Å; F240-I242 HydrophobicContact CE2-CG1 4.25Å; F240-I242 HydrophobicContact CG-CD1 4.25Å; F240-I242 HydrophobicContact CG-CG1 4.39Å
243	K	98.4	Very high	87.4	Confident	56 Å²	56	54.7 Å²	54.7	24%	0.243	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	136.8	179	176.9	-176.1	157.9	-157.3	0	110.2	R144 I145 L175 S176 L178	R144-K243 VanDerWaalsContact O-CA 3.31Å; R144-K243 WeakPolarHBondContact O-CA 3.4Å; I145-K243 HydrophobicContact CG1-CB 4.07Å; I145-K243 HydrophobicContact CG1-CD 4.49Å; I145-K243 HydrophobicContact CG1-CG 4.08Å; L175-K243 CarbonylContact C-O 3.49Å; L175-K243 WeakPolarHBondContact CA-O 3.13Å; S176-K243 PolarHBondContact N-O 2.93Å; S176-K243 PolarHBondContact O-N 3.22Å; S176-K243 PolarHBondContact OG-O 2.82Å; L178-K243 HydrophobicContact CD1-CB 3.83Å; L178-K243 HydrophobicContact CD1-CD 4.27Å; L178-K243 HydrophobicContact CD2-CB 4.38Å; L178-K243 HydrophobicContact CG-CB 4.03Å
244	Y	98.3	Very high	85.2	Confident	0 Å²	0	57 Å²	57	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	151.6	165.5	84.1	-100.3	0	0	0	111.6	F139 D141 K143 R144 F146 I165 L167 I173 H174	F139-Y244 HydrophobicContact CB-CE1 4.04Å; F139-Y244 WeakPolarHBondContact CB-OH 3.46Å; D141-Y244 WeakPolarHBondContact O-CE2 3.26Å; D141-Y244 PolarHBondContact O-OH 3.33Å; D141-Y244 PolarHBondContact OD2-OH 3.36Å; K143-Y244 VanDerWaalsContact CA-O 3.3Å; K143-Y244 WeakPolarHBondContact CA-O 3.26Å; R144-Y244 HydrophobicContact CB-CD1 3.84Å; R144-Y244 HydrophobicContact CB-CE1 3.3Å; R144-Y244 HydrophobicContact CG-CE1 4.4Å; R144-Y244 PolarHBondContact N-O 3.4Å; R144-Y244 VanDerWaalsContact N-O 3.15Å; R144-Y244 PolarHBondContact O-N 2.58Å; F146-Y244 HydrophobicContact CE1-CE1 4.23Å; F146-Y244 AromaticContact CE2-CD1 3.71Å; F146-Y244 HydrophobicContact CE2-CD1 3.71Å; F146-Y244 HydrophobicContact CE2-CE1 4.01Å; F146-Y244 AromaticContact CZ-CD1 3.72Å; F146-Y244 HydrophobicContact CZ-CD1 3.72Å; F146-Y244 AromaticContact CZ-CE1 3.51Å; F146-Y244 HydrophobicContact CZ-CE1 3.51Å; I165-Y244 HydrophobicContact CD1-CD1 3.58Å; I165-Y244 HydrophobicContact CD1-CD2 4.39Å; I165-Y244 HydrophobicContact CD1-CE1 4.11Å; I165-Y244 HydrophobicContact CD1-CG 3.73Å; I165-Y244 HydrophobicContact CG1-CD1 3.99Å; I165-Y244 HydrophobicContact CG1-CE1 4.01Å; I165-Y244 HydrophobicContact CG1-CG 4.45Å; I165-Y244 HydrophobicContact CG2-CD2 4.12Å; I165-Y244 HydrophobicContact CG2-CE1 4.25Å; I165-Y244 HydrophobicContact CG2-CE2 3.88Å; I165-Y244 HydrophobicContact CG2-CG 4.46Å; L167-Y244 HydrophobicContact CD2-CE2 4.06Å; I173-Y244 HydrophobicContact CG2-CD2 4.31Å; I173-Y244 HydrophobicContact CG2-CG 4.38Å; H174-Y244 CarbonylContact O-C 3.52Å; H174-Y244 VanDerWaalsContact O-CA 3.28Å; H174-Y244 WeakPolarHBondContact O-CA 3.47Å
245	V	98.4	Very high	82.9	Confident	31 Å²	31	63.6 Å²	63.6	19%	0.188	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	145	167.8	-64.3	0	0	0	0	110.6	S142 K143 H174 V247	S142-V245 CarbonylContact O-C 3.53Å; S142-V245 WeakPolarHBondContact O-CA 3.21Å; K143-V245 HydrophobicContact CB-CG1 4.04Å; K143-V245 HydrophobicContact CD-CG1 3.9Å; K143-V245 HydrophobicContact CG-CG1 3.79Å; H174-V245 HydrophobicContact CB-CG2 3.97Å; H174-V245 PolarHBondContact N-O 3.4Å; H174-V245 PolarHBondContact O-N 3.27Å; V245-V247 HydrophobicContact CG2-CG1 4.01Å
246	A	97.8	Very high	80.1	Confident	25 Å²	25	63 Å²	63	21%	0.207	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	127.8	168.5	0	0	0	0	0	109.1	S142 L167 H172	S142-A246 PolarHBondContact O-N 3.05Å; L167-A246 HydrophobicContact CD1-CB 3.54Å; L167-A246 HydrophobicContact CD2-CB 4.49Å; H172-A246 WeakPolarHBondContact O-CA 3.47Å
247	V	96.7	Very high	77.3	Confident	39 Å²	39	69.9 Å²	69.9	24%	0.236	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	154.8	174.8	-60.8	0	0	0	0	109.5	H172 H174 V245	H172-V247 HydrophobicContact CB-CG2 3.89Å; H172-V247 PolarHBondContact N-O 3.08Å; H172-V247 PolarHBondContact O-N 3.36Å; H174-V247 HydrophobicContact CB-CG1 3.73Å; H174-V247 HydrophobicContact CB-CG2 4.11Å; V245-V247 HydrophobicContact CG2-CG1 4.01Å
248	D	91.7	Very high	74.4	Confident	124 Å²	124	76.7 Å²	76.7	66%	0.663	44%	0.436	S	S	*	.			trans	-72.2	152.7	171.1	-67.1	-32.4	0	0	0	109.8	V250	D248-V250 PolarHBondContact O-N 2.67Å
249	P	80.1	Confident	71.4	Confident	58 Å²	58	80.9 Å²	80.9	38%	0.377	46%	0.458	S	S	.	.			trans	-56.6	129.2	174.4	-21.6	34	0	0	0	108.7	G170 H172 S251	G170-P249 WeakPolarHBondContact O-CD 3.36Å; G170-P249 WeakPolarHBondContact O-CG 3.48Å; H172-P249 VanDerWaalsContact CD2-CA 3.43Å; H172-P249 WeakPolarHBondContact CD2-CA 3.48Å; P249-S251 VanDerWaalsContact C-N 3.3Å; P249-S251 PolarHBondContact O-N 3.1Å
250	V	68.3	Low	68.4	Low	113 Å²	113	86.4 Å²	86.4	69%	0.685	50%	0.497	S	S	*	.			trans	-60.5	100.6	175.8	-177.9	0	0	0	0	107	D248 K252	D248-V250 PolarHBondContact O-N 2.67Å; V250-K252 PolarHBondContact O-N 3.45Å
251	S	56.3	Low	65.3	Low	85 Å²	85	92.4 Å²	92.4	59%	0.594	53%	0.533	S	S	*	.			trans	-63.6	123.9	169.9	53.2	0	0	0	0	106.1	P249 S253	P249-S251 VanDerWaalsContact C-N 3.3Å; P249-S251 PolarHBondContact O-N 3.1Å; S251-S253 PolarHBondContact O-N 2.8Å; S251-S253 PolarHBondContact OG-OG 3.34Å
252	K	48.7	Very low	62.1	Low	217 Å²	217	96.4 Å²	96.4	94%	0.943	56%	0.561	S	S	*	*			trans	-67	72.4	166.9	-69.7	-172	-179.6	-178.9	0	108.6	V250	V250-K252 PolarHBondContact O-N 3.45Å
253	S	42.5	Very low	59	Low	81 Å²	81	102 Å²	102	57%	0.566	60%	0.599	S	S	*	*			trans	-142.9	72.8	174.3	66.1	0	0	0	0	109.9	S251	S251-S253 PolarHBondContact O-N 2.8Å; S251-S253 PolarHBondContact OG-OG 3.34Å
254	S	41.3	Very low	56	Low	115 Å²	115	106 Å²	106	80%	0.804	63%	0.629	S	S	*	*			trans	163.2	66.5	139	45.3	0	0	0	0	111.6	G256	S254-G256 PolarHBondContact O-N 2.86Å
255	Q	41.9	Very low	52.7	Low	197 Å²	197	109.6 Å²	109.6	92%	0.921	67%	0.666	S	S	*	*	S	Bend	trans	-66.5	112.7	143.2	-94	-177.5	-21.6	0	0	106	K257	Q255-K257 PolarHBondContact O-N 3.23Å
256	G	38.1	Very low	49.8	Very low	68 Å²	68	115.6 Å²	115.6	70%	0.701	70%	0.697	S	S	*	*			trans	-48.5	112.1	179.4	0	0	0	0	0	111.1	S254 N258	S254-G256 PolarHBondContact O-N 2.86Å; G256-N258 PolarHBondContact O-N 3.12Å
257	K	38.4	Very low	47	Very low	188 Å²	188	124.1 Å²	124.1	82%	0.817	73%	0.729	S	S	*	*			trans	-71.3	82.9	164.9	-166.8	-180	-170.5	179.3	0	107.2	Q255 T259	Q255-K257 PolarHBondContact O-N 3.23Å; K257-T259 PolarHBondContact O-N 2.74Å
258	N	36.4	Very low	44.2	Very low	156 Å²	156	129.6 Å²	129.6	83%	0.834	76%	0.757	S	S	*	*			trans	-81.7	94.1	162.2	-84.8	1.7	0	0	0	108.4	G256 S260	G256-N258 PolarHBondContact O-N 3.12Å; N258-S260 PolarHBondContact O-N 3.23Å
259	T	34.6	Very low	41.5	Very low	108 Å²	108	133.3 Å²	133.3	66%	0.663	77%	0.768	S	S	*	*			trans	-50.5	111.1	167	-31.9	0	0	0	0	110.1	K257	K257-T259 PolarHBondContact O-N 2.74Å
260	S	33.5	Very low	39.5	Very low	116 Å²	116	137.8 Å²	137.8	81%	0.811	79%	0.788	S	S	*	*			trans	-96.6	98.8	156.8	-57.9	0	0	0	0	107.3	N258 T262	N258-S260 PolarHBondContact O-N 3.23Å; S260-T262 PolarHBondContact O-N 3.19Å
261	T	33.3	Very low	37.9	Very low	125 Å²	125	137.5 Å²	137.5	77%	0.767	80%	0.797	S	S	*	*			trans	-65.8	124.6	175.2	-51.3	0	0	0	0	109.8
262	T	30.3	Very low	36.7	Very low	123 Å²	123	137.2 Å²	137.2	76%	0.755	81%	0.808	S	S	*	*			trans	-60.4	125.6	170.4	-37.2	0	0	0	0	110.8	S260	S260-T262 PolarHBondContact O-N 3.19Å
263	S	34.1	Very low	36.2	Very low	116 Å²	116	138.1 Å²	138.1	81%	0.811	81%	0.805	S	S	*	*			trans	-113.6	108.8	156	68.5	0	0	0	0	109.2
264	T	34.6	Very low	36	Very low	141 Å²	141	143.9 Å²	143.9	87%	0.865	82%	0.82	S	S	*	*			trans	-67.7	129.1	171.5	-26.8	0	0	0	0	109.7
265	G	30.7	Very low	35.9	Very low	75 Å²	75	143.1 Å²	143.1	77%	0.773	82%	0.815	S	S	*	*			trans	-161.7	89.3	174	0	0	0	0	0	111.3
266	N	35.6	Very low	35.7	Very low	157 Å²	157	142.4 Å²	142.4	84%	0.84	81%	0.811	S	S	*	*			trans	-58.5	137.9	170.6	-104.5	-16.6	0	0	0	111.5
267	K	40.2	Very low	36.1	Very low	205 Å²	205	151 Å²	151	89%	0.891	84%	0.84	S	S	*	*				-176.8	132.1	126.9	-97.4	162.6	-168.9	-175.5	0	112.4
268	N	36.7	Very low	36	Very low	153 Å²	153	149.1 Å²	149.1	82%	0.818	84%	0.841	S	S	*	*			trans	-44.2	142.6	173.8	-59.2	-31.8	0	0	0	114.5
269	F	35.7	Very low	36	Very low	202 Å²	202	148.7 Å²	148.7	89%	0.886	84%	0.841	S	S	*	*			trans	-147.6	153.3	143.7	-125.8	-91.4	0	0	0	111.6
270	L	37.8	Very low	36	Very low	153 Å²	153	151 Å²	151	80%	0.801	85%	0.851	S	S	*	*			trans	-74	162.5	-152.3	-74	143.4	0	0	0	116.2
271	A	35	Very low	36.2	Very low	106 Å²	106	153.1 Å²	153.1	88%	0.876	85%	0.853	S	S	*	*			trans	-51.5	148	168.4	0	0	0	0	0	114.5
272	G	31.8	Very low	36.4	Very low	79 Å²	79	154.8 Å²	154.8	81%	0.814	86%	0.859	S	S	*	*			trans	-153.4	106.7	165.1	0	0	0	0	0	110.8
273	R	38	Very low	36.8	Very low	236 Å²	236	156.9 Å²	156.9	89%	0.891	87%	0.866	S	S	*	*			trans	-67.6	174.6	166.1	-95.2	-178.7	168.7	-166.4	-3.1	111.3
274	F	38.8	Very low	37	Very low	202 Å²	202	159.9 Å²	159.9	89%	0.886	87%	0.87	S	S	*	*			trans	103.1	134.5	165.7	-68.1	-78.5	0	0	0	114.2
275	S	37.5	Very low	37.1	Very low	99 Å²	99	161.3 Å²	161.3	69%	0.692	87%	0.87	S	S	*	*			cis	-176	158.6	-22.1	31.7	0	0	0	0	105.8
276	H	38.1	Very low	37.7	Very low	182 Å²	182	168.5 Å²	168.5	84%	0.843	88%	0.878	S	S	*	*			trans	-25.7	136.5	168.5	-72.9	-81.3	0	0	0	117.4
277	L	47	Very low	37.9	Very low	248 Å²	248	169.5 Å²	169.5	100%	1.298	88%	0.882	S	S	*	*				-155.7	0	112.3	-97.9	162.8	0	0	0	109.1

Retrieved 277 of 277 residues in 2042.2 ms (Link to these results)

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