G4LUM3_SCHMA Loading...

Predicted actin-bundling protein-like protein

AlphaFold DB , UniProt , Accession G4LUM3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 288 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	48.9	Very low	62.7	Low	243 Å²	243	154.8 Å²	154.8	100%	1.197	81%	0.808	S	S	*	*				0	103.2	0	-80.7	-172.3	169.6	0	0	106.6
2	D	61.1	Low	62.6	Low	140 Å²	140	154.8 Å²	154.8	75%	0.749	81%	0.808	S	S	*	*			trans	-90.2	119	177.6	-98.6	-23.3	0	0	0	110.2	Y4 S5	D2-Y4 PolarHBondContact O-N 3.2Å; D2-S5 PolarHBondContact O-N 2.96Å; D2-S5 PolarHBondContact O-OG 3.38Å
3	S	61.9	Low	62.5	Low	105 Å²	105	158.2 Å²	158.2	73%	0.734	81%	0.812	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-3.6	-176.5	-44.8	0	0	0	0	114.2
4	Y	65.4	Low	62.1	Low	202 Å²	202	158.2 Å²	158.2	79%	0.792	81%	0.813	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-9.5	-176	-89	-88.8	0	0	0	114.8	D2 F6	D2-Y4 PolarHBondContact O-N 3.2Å; Y4-F6 PolarHBondContact O-N 3.36Å
5	S	64.7	Low	61.2	Low	97 Å²	97	162.1 Å²	162.1	68%	0.678	82%	0.822	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-3	-179	62.2	0	0	0	0	114.7	D2	D2-S5 PolarHBondContact O-N 2.96Å; D2-S5 PolarHBondContact O-OG 3.38Å
6	F	62.4	Low	60.7	Low	173 Å²	173	156.6 Å²	156.6	76%	0.759	82%	0.819	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	-0.6	-178.1	-65	-76.9	0	0	0	114.5	Y4 R8	Y4-F6 PolarHBondContact O-N 3.36Å; F6-R8 PolarHBondContact O-N 3.03Å
7	V	63.2	Low	59.7	Low	110 Å²	110	157.1 Å²	157.1	67%	0.667	82%	0.816	S	S	*	*			trans	-84.8	103.1	-177.1	-167.3	0	0	0	0	110.4	P9	V7-P9 WeakPolarHBondContact O-CD 3.49Å
8	R	62.1	Low	59.1	Low	231 Å²	231	160.2 Å²	160.2	87%	0.872	82%	0.822	S	S	*	*			trans	-67	120.6	170.9	-63.9	-178	-177.3	-168.2	0.4	109.2	F6 G10	F6-R8 PolarHBondContact O-N 3.03Å; R8-G10 PolarHBondContact O-N 3.42Å
9	P	65.7	Low	58.7	Low	132 Å²	132	161.1 Å²	161.1	86%	0.857	82%	0.819	S	S	*	*			trans	-71.7	95.4	176.9	28.4	-31.9	0	0	0	109.5	V7	V7-P9 WeakPolarHBondContact O-CD 3.49Å
10	G	67.1	Low	58.5	Low	68 Å²	68	162.3 Å²	162.3	70%	0.701	82%	0.818	S	S	*	*			trans	-75	133.3	170.8	0	0	0	0	0	110.9	R8 L12	R8-G10 PolarHBondContact O-N 3.42Å; G10-L12 PolarHBondContact O-N 3.25Å; G10-L12 VanDerWaalsContact O-N 3.16Å
11	K	67.8	Low	58.1	Low	202 Å²	202	163.7 Å²	163.7	88%	0.878	82%	0.819	S	S	*	*			trans	-57.1	117.7	174	-98.2	178.4	176.9	170.1	0	110.6	K13	K11-K13 PolarHBondContact O-N 2.84Å
12	L	60.9	Low	58.1	Low	154 Å²	154	160.9 Å²	160.9	81%	0.806	80%	0.803	S	S	*	*			trans	-56.6	114.6	169	-165.8	75.3	0	0	0	109.5	G10	G10-L12 PolarHBondContact O-N 3.25Å; G10-L12 VanDerWaalsContact O-N 3.16Å
13	K	61.5	Low	57.6	Low	199 Å²	199	162.9 Å²	162.9	87%	0.865	81%	0.807	S	S	*	*			trans	-95.2	100.5	172.1	-70.8	-170.4	-179.5	178.3	0	108.8	K11 K15	K11-K13 PolarHBondContact O-N 2.84Å; K13-K15 PolarHBondContact O-N 3.47Å
14	L	57.4	Low	56.8	Low	159 Å²	159	167.8 Å²	167.8	83%	0.832	82%	0.815	S	S	*	*			trans	-69.8	115.2	170.4	-85.4	158.2	0	0	0	109.8	G16	L14-G16 PolarHBondContact O-N 2.68Å
15	K	48.5	Very low	55.9	Low	216 Å²	216	169.6 Å²	169.6	94%	0.939	82%	0.821	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	101.4	177.2	-152.9	178.2	-171.3	-177.3	0	106.8	K13	K13-K15 PolarHBondContact O-N 3.47Å
16	G	52.2	Low	54.8	Low	75 Å²	75	176.4 Å²	176.4	77%	0.773	83%	0.832	S	S	*	*	T	Hydrogen-bonded Turn	trans	175.1	-27.3	178.4	0	0	0	0	0	118.5	L14	L14-G16 PolarHBondContact O-N 2.68Å
17	E	44.8	Very low	54.1	Low	165 Å²	165	177.2 Å²	177.2	77%	0.771	84%	0.838	S	S	*	*			trans	-106	114.2	-175.9	-73.1	-170.5	149.9	0	0	113	K19	E17-K19 VanDerWaalsContact C-N 3.27Å; E17-K19 PolarHBondContact O-N 3.39Å
18	K	48.5	Very low	53.2	Low	212 Å²	212	181 Å²	181	92%	0.922	85%	0.848	S	S	*	*			trans	-66.1	86.5	163.6	-70.5	-177.9	179.5	175.9	0	108.8	K20	K18-K20 PolarHBondContact O-N 2.8Å; K18-K20 VanDerWaalsContact O-N 3.09Å
19	K	52.5	Low	52	Low	177 Å²	177	174.8 Å²	174.8	77%	0.77	84%	0.84	S	S	*	*			trans	-63.4	111.8	170.9	-72.3	-167.9	177	-174.6	0	109.2	E17 K21	E17-K19 VanDerWaalsContact C-N 3.27Å; E17-K19 PolarHBondContact O-N 3.39Å; K19-K21 PolarHBondContact O-N 2.74Å
20	K	54.3	Low	51.1	Low	185 Å²	185	177.4 Å²	177.4	80%	0.804	84%	0.838	S	S	*	*			trans	-52.1	123.6	169	-68.2	-178.4	178.6	178.1	0	108.1	K18 H22	K18-K20 PolarHBondContact O-N 2.8Å; K18-K20 VanDerWaalsContact O-N 3.09Å; K20-H22 PolarHBondContact O-N 3.48Å
21	K	48.8	Very low	49.7	Very low	193 Å²	193	179.5 Å²	179.5	84%	0.839	84%	0.84	S	S	*	*			trans	-60.8	107.4	175.1	-70.2	-179.4	179.2	177.5	0	108	K19 H23	K19-K21 PolarHBondContact O-N 2.74Å; K21-H23 PolarHBondContact O-N 2.99Å; K21-H23 VanDerWaalsContact O-N 3.09Å
22	H	49.5	Very low	48.5	Very low	184 Å²	184	179.4 Å²	179.4	85%	0.852	84%	0.839	S	S	*	*			trans	-67.9	107.6	167.6	-78.1	-85.3	0	0	0	107.6	K20 K24	K20-H22 PolarHBondContact O-N 3.48Å; H22-K24 PolarHBondContact O-N 3.45Å; H22-K24 VanDerWaalsContact O-N 3.11Å
23	H	50	Low	47.9	Very low	182 Å²	182	175.8 Å²	175.8	84%	0.843	82%	0.823	S	S	*	*			trans	-56.6	116.5	166	-80.9	-83.6	0	0	0	107.9	K21 R25	K21-H23 PolarHBondContact O-N 2.99Å; K21-H23 VanDerWaalsContact O-N 3.09Å; H23-R25 PolarHBondContact O-N 2.83Å
24	K	45.4	Very low	47.3	Very low	208 Å²	208	174.4 Å²	174.4	90%	0.904	82%	0.82	S	S	*	*			trans	-60.1	107.6	172.8	-149.9	177.3	-173.8	-176.4	0	106.3	H22 R26	H22-K24 PolarHBondContact O-N 3.45Å; H22-K24 VanDerWaalsContact O-N 3.11Å; K24-R26 PolarHBondContact O-N 3.19Å; K24-R26 VanDerWaalsContact O-N 3.08Å
25	R	46.6	Very low	47.2	Very low	240 Å²	240	172.9 Å²	172.9	91%	0.906	81%	0.806	S	S	*	*			trans	-55.8	115.5	177	-131.9	175.1	167.2	-172.6	-8.4	106.5	H23 Q27	H23-R25 PolarHBondContact O-N 2.83Å; R25-Q27 PolarHBondContact O-N 2.97Å; R25-Q27 VanDerWaalsContact O-N 3.07Å
26	R	41.3	Very low	48.4	Very low	240 Å²	240	166.4 Å²	166.4	91%	0.906	79%	0.785	S	S	*	*			trans	-52.3	117.6	170.3	-93.7	-179.9	163.5	-176.1	-5.6	106.2	K24 E28	K24-R26 PolarHBondContact O-N 3.19Å; K24-R26 VanDerWaalsContact O-N 3.08Å; R26-E28 PolarHBondContact O-N 3.22Å
27	Q	48.6	Very low	49.8	Very low	189 Å²	189	170.6 Å²	170.6	88%	0.883	79%	0.785	S	S	*	*			trans	-58.1	120.8	155.6	-88.1	176.2	-24.1	0	0	104.8	R25 S29	R25-Q27 PolarHBondContact O-N 2.97Å; R25-Q27 VanDerWaalsContact O-N 3.07Å; Q27-S29 PolarHBondContact O-N 3.3Å
28	E	43.7	Very low	51.6	Low	189 Å²	189	165 Å²	165	88%	0.883	76%	0.756	S	S	*	*			trans	-53.5	111.2	164.3	-76.4	170.8	174	0	0	105.8	R26 K30	R26-E28 PolarHBondContact O-N 3.22Å; E28-K30 PolarHBondContact O-N 2.88Å
29	S	37.3	Very low	53.2	Low	102 Å²	102	156.3 Å²	156.3	71%	0.713	72%	0.72	S	S	*	*			trans	-53.4	124.2	170.4	47.3	0	0	0	0	106.2	Q27	Q27-S29 PolarHBondContact O-N 3.3Å
30	K	47.7	Very low	54.7	Low	187 Å²	187	151.9 Å²	151.9	81%	0.813	70%	0.704	S	S	*	*			trans	-39.3	134.8	166	-67.8	-175.3	176.7	-172	0	107.8	E28 K32	E28-K30 PolarHBondContact O-N 2.88Å; K30-K32 PolarHBondContact O-N 2.99Å
31	P	37.5	Very low	56.4	Low	112 Å²	112	145.5 Å²	145.5	73%	0.727	68%	0.677	S	S	*	*			trans	-48.4	124	-178.5	20.1	-30.8	0	0	0	107.4	V33	P31-V33 PolarHBondContact O-N 2.78Å
32	K	41.9	Very low	58.3	Low	200 Å²	200	136.7 Å²	136.7	87%	0.87	64%	0.64	S	S	*	*			trans	-62.5	98.3	170.5	-80.2	-175.9	176.6	-178.1	0	104.4	K30 E34	K30-K32 PolarHBondContact O-N 2.99Å; K32-E34 PolarHBondContact O-N 3.48Å
33	V	49.1	Very low	60.2	Low	77 Å²	77	131.1 Å²	131.1	47%	0.467	62%	0.617	S	S	.	*			trans	-62.1	105	174.2	178.7	0	0	0	0	105	P31 K35 I39 I217	P31-V33 PolarHBondContact O-N 2.78Å; V33-K35 PolarHBondContact O-N 3.48Å; V33-K35 VanDerWaalsContact O-N 3.12Å; V33-I39 HydrophobicContact CG1-CD1 3.59Å; V33-I217 HydrophobicContact CB-CD1 4.48Å; V33-I217 HydrophobicContact CG1-CD1 3.5Å; V33-I217 VanDerWaalsContact CG1-CD1 3.5Å; V33-I217 HydrophobicContact CG2-CD1 4.13Å
34	E	47.3	Very low	62.2	Low	170 Å²	170	123 Å²	123	79%	0.794	58%	0.581	S	S	*	*			trans	-55.6	119.7	165.6	-78.4	-177.6	163.8	0	0	106	K32 T36	K32-E34 PolarHBondContact O-N 3.48Å; E34-T36 PolarHBondContact O-N 2.96Å
35	K	56	Low	64.4	Low	128 Å²	128	113.7 Å²	113.7	56%	0.557	54%	0.541	S	S	*	.			trans	-65.8	91.9	177.8	-69.5	-163.1	174.3	-150.4	0	107.4	V33 L40 D43	V33-K35 PolarHBondContact O-N 3.48Å; V33-K35 VanDerWaalsContact O-N 3.12Å; K35-L40 HydrophobicContact CB-CD2 4.14Å; K35-L40 HydrophobicContact CB-CG 4.12Å; K35-L40 HydrophobicContact CD-CD2 3.54Å; K35-L40 HydrophobicContact CD-CG 4.39Å; K35-D43 IonicContact NZ-OD2 3.59Å; K35-D43 PolarHBondContact NZ-OD2 3.03Å; K35-D43 VanDerWaalsContact NZ-OD2 3.13Å
36	T	73.5	Confident	66.5	Low	80 Å²	80	103.9 Å²	103.9	49%	0.491	51%	0.514	S	S	.	.			trans	-59.9	152.2	168.9	51.2	0	0	0	0	108.6	E34 R38 I39 L40	E34-T36 PolarHBondContact O-N 2.96Å; T36-R38 PolarHBondContact O-N 3.26Å; T36-I39 WeakPolarHBondContact O-CA 3.47Å; T36-I39 WeakPolarHBondContact O-CB 3.41Å; T36-I39 PolarHBondContact O-N 3.03Å; T36-I39 WeakPolarHBondContact OG1-CD1 3.38Å; T36-I39 WeakPolarHBondContact OG1-CG1 3.18Å; T36-L40 PolarHBondContact O-N 3.33Å
37	E	81.4	Confident	68.9	Low	163 Å²	163	94.3 Å²	94.3	76%	0.762	49%	0.49	S	S	*	.	H	α-helix	trans	-49.9	-35.6	179.6	-64.9	176.7	166.6	0	0	112	I39 L40 E41	E37-I39 VanDerWaalsContact C-N 3.35Å; E37-I39 PolarHBondContact O-N 2.98Å; E37-L40 PolarHBondContact O-N 3.38Å; E37-E41 WeakPolarHBondContact O-CB 3.5Å; E37-E41 PolarHBondContact O-N 3.13Å
38	R	82.8	Confident	71.1	Confident	46 Å²	46	86 Å²	86	17%	0.174	45%	0.451	C	S	.	.	H	α-helix	trans	-63.5	-34.8	176.7	-159.1	177.1	-165.4	166.3	23.7	113.9	T36 A42 W49 S50 E56 L216	T36-R38 PolarHBondContact O-N 3.26Å; R38-A42 WeakPolarHBondContact O-CB 3.15Å; R38-A42 PolarHBondContact O-N 2.9Å; R38-W49 HydrophobicContact CG-CB 3.91Å; R38-W49 VanDerWaalsContact CZ-CE3 3.4Å; R38-W49 VanDerWaalsContact CZ-CZ3 3.46Å; R38-S50 PolarHBondContact NH2-O 2.9Å; R38-E56 IonicContact CZ-OE1 2.77Å; R38-E56 IonicContact CZ-OE2 3.13Å; R38-E56 IonicContact NH1-OE1 3.77Å; R38-E56 PolarHBondContact NH1-OE1 3.19Å; R38-E56 IonicContact NH1-OE2 3.86Å; R38-E56 IonicContact NH2-OE1 2.63Å; R38-E56 PolarHBondContact NH2-OE1 3.42Å; R38-E56 IonicContact NH2-OE2 3.18Å; R38-E56 PolarHBondContact NH2-OE2 2.9Å; R38-L216 HydrophobicContact CB-CD1 4.39Å; R38-L216 HydrophobicContact CG-CD1 3.84Å; R38-L216 HydrophobicContact CG-CD2 4.26Å
39	I	82.9	Confident	73.5	Confident	30 Å²	30	77.5 Å²	77.5	15%	0.154	41%	0.41	C	S	.	.	H	α-helix	trans	-73.3	-40.6	175.7	-65.2	168.6	0	0	0	110	V33 T36 E37 E41 A42 D43 L216 I217	V33-I39 HydrophobicContact CG1-CD1 3.59Å; T36-I39 WeakPolarHBondContact O-CA 3.47Å; T36-I39 WeakPolarHBondContact O-CB 3.41Å; T36-I39 PolarHBondContact O-N 3.03Å; T36-I39 WeakPolarHBondContact OG1-CD1 3.38Å; T36-I39 WeakPolarHBondContact OG1-CG1 3.18Å; E37-I39 VanDerWaalsContact C-N 3.35Å; E37-I39 PolarHBondContact O-N 2.98Å; I39-E41 VanDerWaalsContact C-N 3.33Å; I39-A42 PolarHBondContact O-N 2.95Å; I39-D43 PolarHBondContact O-N 2.9Å; I39-L216 HydrophobicContact CG1-CD1 4.35Å; I39-I217 HydrophobicContact CD1-CD1 4.06Å
40	L	83.5	Confident	76.2	Confident	85 Å²	85	73.4 Å²	73.4	45%	0.445	38%	0.382	S	S	.	.	H	α-helix	trans	-63.9	-40.1	175.2	-68	171.5	0	0	0	111.7	K35 T36 E37 D43 A44	K35-L40 HydrophobicContact CB-CD2 4.14Å; K35-L40 HydrophobicContact CB-CG 4.12Å; K35-L40 HydrophobicContact CD-CD2 3.54Å; K35-L40 HydrophobicContact CD-CG 4.39Å; T36-L40 PolarHBondContact O-N 3.33Å; E37-L40 PolarHBondContact O-N 3.38Å; L40-D43 PolarHBondContact O-N 3.14Å; L40-A44 PolarHBondContact O-N 3.06Å
41	E	88.5	Confident	78.5	Confident	51 Å²	51	64.8 Å²	64.8	24%	0.238	35%	0.346	C	S	.	.	H	α-helix	trans	-64.7	-45.3	173	-166.8	-165	169.6	0	0	111	E37 I39 D43 A44 H45 S50 R211	E37-E41 WeakPolarHBondContact O-CB 3.5Å; E37-E41 PolarHBondContact O-N 3.13Å; I39-E41 VanDerWaalsContact C-N 3.33Å; E41-D43 VanDerWaalsContact C-N 3.31Å; E41-D43 PolarHBondContact O-N 2.79Å; E41-A44 WeakPolarHBondContact O-CA 3.41Å; E41-A44 WeakPolarHBondContact O-CB 3.45Å; E41-A44 PolarHBondContact O-N 2.9Å; E41-H45 PolarHBondContact O-CD2 2.76Å; E41-H45 VanDerWaalsContact O-CD2 3.3Å; E41-H45 PolarHBondContact O-N 2.8Å; E41-S50 VanDerWaalsContact OE1-CB 3.25Å; E41-S50 WeakPolarHBondContact OE1-CB 3.43Å; E41-S50 PolarHBondContact OE1-OG 3.43Å; E41-S50 WeakPolarHBondContact OE2-CB 3.12Å; E41-S50 PolarHBondContact OE2-OG 3.46Å; E41-R211 IonicContact OE1-CZ 3.51Å; E41-R211 IonicContact OE1-NH1 3.42Å; E41-R211 PolarHBondContact OE1-NH1 2.77Å; E41-R211 IonicContact OE1-NH2 2.73Å; E41-R211 PolarHBondContact OE1-NH2 2.74Å
42	A	90.6	Very high	81.1	Confident	8 Å²	8	65.9 Å²	65.9	7%	0.066	34%	0.339	C	S	.	.	H	α-helix	trans	-56.8	-45	175.4	0	0	0	0	0	111.7	R38 I39 A44 H45 G46 G47 W49	R38-A42 WeakPolarHBondContact O-CB 3.15Å; R38-A42 PolarHBondContact O-N 2.9Å; I39-A42 PolarHBondContact O-N 2.95Å; A42-A44 PolarHBondContact O-N 2.8Å; A42-H45 CarbonylContact O-C 3.56Å; A42-H45 PolarHBondContact O-N 2.81Å; A42-H45 VanDerWaalsContact O-N 3.09Å; A42-G46 PolarHBondContact O-N 2.85Å; A42-G47 WeakPolarHBondContact O-CA 3.28Å; A42-G47 PolarHBondContact O-N 2.77Å; A42-W49 HydrophobicContact CB-CB 4.16Å
43	D	89	Confident	83.6	Confident	67 Å²	67	61.3 Å²	61.3	36%	0.358	32%	0.321	S	S	.	.	H	α-helix	trans	-56.3	-36.4	175.8	-74.1	-13.3	0	0	0	111.1	K35 I39 L40 E41 H45 G115	K35-D43 IonicContact NZ-OD2 3.59Å; K35-D43 PolarHBondContact NZ-OD2 3.03Å; K35-D43 VanDerWaalsContact NZ-OD2 3.13Å; I39-D43 PolarHBondContact O-N 2.9Å; L40-D43 PolarHBondContact O-N 3.14Å; E41-D43 VanDerWaalsContact C-N 3.31Å; E41-D43 PolarHBondContact O-N 2.79Å; D43-H45 VanDerWaalsContact C-N 3.34Å; D43-H45 PolarHBondContact O-N 2.82Å; D43-G115 WeakPolarHBondContact O-CA 3.48Å
44	A	90.5	Very high	85.7	Confident	10 Å²	10	59.3 Å²	59.3	8%	0.083	31%	0.306	C	S	.	.	H	α-helix	trans	-72	-22	179.4	0	0	0	0	0	114.3	L40 E41 A42 F92 Y114 G115	L40-A44 PolarHBondContact O-N 3.06Å; E41-A44 WeakPolarHBondContact O-CA 3.41Å; E41-A44 WeakPolarHBondContact O-CB 3.45Å; E41-A44 PolarHBondContact O-N 2.9Å; A42-A44 PolarHBondContact O-N 2.8Å; A44-F92 HydrophobicContact CB-CD2 4.05Å; A44-F92 HydrophobicContact CB-CE2 3.74Å; A44-F92 WeakPolarHBondContact O-CE2 3.32Å; A44-F92 WeakPolarHBondContact O-CZ 3.4Å; A44-Y114 VanDerWaalsContact CA-CE2 3.46Å; A44-Y114 HydrophobicContact CB-CD2 3.7Å; A44-Y114 HydrophobicContact CB-CE2 3.36Å; A44-G115 PolarHBondContact O-N 2.79Å
45	H	92.9	Very high	87.9	Confident	14 Å²	14	55.6 Å²	55.6	7%	0.065	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	31.8	-178.8	-62.3	-88.6	0	0	0	112.3	E41 A42 D43 G47 W48 F92 Y97 E116 R211	E41-H45 PolarHBondContact O-CD2 2.76Å; E41-H45 VanDerWaalsContact O-CD2 3.3Å; E41-H45 PolarHBondContact O-N 2.8Å; A42-H45 CarbonylContact O-C 3.56Å; A42-H45 PolarHBondContact O-N 2.81Å; A42-H45 VanDerWaalsContact O-N 3.09Å; D43-H45 VanDerWaalsContact C-N 3.34Å; D43-H45 PolarHBondContact O-N 2.82Å; H45-G47 VanDerWaalsContact C-N 3.35Å; H45-G47 PolarHBondContact O-N 2.89Å; H45-W48 HydrophobicContact CB-CB 4.22Å; H45-W48 WeakPolarHBondContact CB-O 3.09Å; H45-W48 WeakPolarHBondContact O-CB 3.33Å; H45-W48 VanDerWaalsContact O-CD1 3.32Å; H45-W48 PolarHBondContact O-N 2.85Å; H45-F92 AromaticContact CE1-CE2 3.54Å; H45-F92 AromaticContact CE1-CZ 3.48Å; H45-F92 VanDerWaalsContact CE1-CZ 3.48Å; H45-F92 WeakPolarHBondContact CE1-CZ 3.4Å; H45-F92 AromaticContact ND1-CZ 3.73Å; H45-F92 AromaticContact NE2-CE2 3.59Å; H45-Y97 PolarHBondContact ND1-OH 3.38Å; H45-E116 CarbonylContact C-O 3.6Å; H45-R211 PolarHBondContact CD2-NH1 3.49Å; H45-R211 VanDerWaalsContact CE1-CZ 3.41Å; H45-R211 PolarHBondContact CE1-NH2 2.87Å; H45-R211 VanDerWaalsContact CG-CZ 3.48Å; H45-R211 PolarHBondContact ND1-NE 3.31Å; H45-R211 PolarHBondContact NE2-NH1 3.46Å; H45-R211 PolarHBondContact NE2-NH2 3.49Å
46	G	91.1	Very high	89.7	Confident	33 Å²	33	50.9 Å²	50.9	34%	0.34	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	66	32.2	173.9	0	0	0	0	0	114.7	A42 G115	A42-G46 PolarHBondContact O-N 2.85Å; G46-G115 VanDerWaalsContact CA-O 3.26Å; G46-G115 WeakPolarHBondContact CA-O 3.47Å
47	G	91.6	Very high	90.8	Very high	40 Å²	40	47.1 Å²	47.1	41%	0.412	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.1	-0.2	-178.8	0	0	0	0	0	114.8	A42 H45	A42-G47 WeakPolarHBondContact O-CA 3.28Å; A42-G47 PolarHBondContact O-N 2.77Å; H45-G47 VanDerWaalsContact C-N 3.35Å; H45-G47 PolarHBondContact O-N 2.89Å
48	W	94.8	Very high	91.3	Very high	13 Å²	13	41.7 Å²	41.7	5%	0.049	22%	0.222	C	C	.	.			trans	-95.2	118.8	-178.5	-68.6	75.4	0	0	0	112	H45 A62 P118 I123 R211 S212 N213	H45-W48 HydrophobicContact CB-CB 4.22Å; H45-W48 WeakPolarHBondContact CB-O 3.09Å; H45-W48 WeakPolarHBondContact O-CB 3.33Å; H45-W48 VanDerWaalsContact O-CD1 3.32Å; H45-W48 PolarHBondContact O-N 2.85Å; W48-A62 HydrophobicContact CE3-CB 4.14Å; W48-A62 HydrophobicContact CZ3-CB 4.03Å; W48-P118 HydrophobicContact CD2-CG 4Å; W48-P118 HydrophobicContact CE3-CG 4.44Å; W48-P118 HydrophobicContact CG-CG 4.17Å; W48-I123 HydrophobicContact CH2-CB 4.4Å; W48-I123 HydrophobicContact CH2-CD1 4Å; W48-I123 HydrophobicContact CH2-CG1 3.72Å; W48-I123 HydrophobicContact CH2-CG2 3.87Å; W48-I123 HydrophobicContact CZ2-CD1 3.57Å; W48-I123 HydrophobicContact CZ2-CG1 3.73Å; W48-R211 HydrophobicContact CB-CB 4.11Å; W48-R211 HydrophobicContact CE3-CB 4.17Å; W48-R211 PolarHBondContact O-NH1 3.41Å; W48-S212 CarbonylContact C-O 3.52Å; W48-S212 WeakPolarHBondContact CA-O 3.4Å; W48-N213 HydrophobicContact CD2-CB 3.76Å; W48-N213 HydrophobicContact CE3-CB 3.95Å; W48-N213 HydrophobicContact CG-CB 4.32Å; W48-N213 HydrophobicContact CH2-CB 4.06Å; W48-N213 HydrophobicContact CZ2-CB 3.87Å; W48-N213 HydrophobicContact CZ3-CB 4.09Å
49	W	93.7	Very high	91.9	Very high	11 Å²	11	44.3 Å²	44.3	4%	0.042	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	154.1	-177.6	47.1	-91.5	0	0	0	112.4	R38 A42 A51 E56 R211 S212 K214 L216	R38-W49 HydrophobicContact CG-CB 3.91Å; R38-W49 VanDerWaalsContact CZ-CE3 3.4Å; R38-W49 VanDerWaalsContact CZ-CZ3 3.46Å; A42-W49 HydrophobicContact CB-CB 4.16Å; W49-A51 HydrophobicContact CZ3-CB 4.23Å; W49-E56 HydrophobicContact CH2-CB 3.91Å; W49-E56 HydrophobicContact CH2-CG 3.96Å; W49-E56 HydrophobicContact CZ3-CB 3.88Å; W49-E56 HydrophobicContact CZ3-CG 4.11Å; W49-R211 CarbonylContact O-C 3.46Å; W49-R211 WeakPolarHBondContact O-CA 3.16Å; W49-S212 PolarHBondContact N-O 3.35Å; W49-S212 PolarHBondContact NE1-O 3.1Å; W49-S212 PolarHBondContact O-N 2.74Å; W49-K214 HydrophobicContact CZ2-CB 3.92Å; W49-K214 PolarHBondContact NE1-O 2.79Å; W49-L216 HydrophobicContact CB-CD1 4.09Å; W49-L216 VanDerWaalsContact CD1-CG 3.47Å; W49-L216 HydrophobicContact CD2-CD2 3.63Å; W49-L216 HydrophobicContact CD2-CG 4.17Å; W49-L216 HydrophobicContact CE3-CD2 4.33Å; W49-L216 HydrophobicContact CG-CD1 3.83Å; W49-L216 HydrophobicContact CG-CD2 3.82Å; W49-L216 HydrophobicContact CG-CG 3.87Å; W49-L216 HydrophobicContact CH2-CD2 4.37Å; W49-L216 HydrophobicContact CZ2-CD2 3.72Å; W49-L216 HydrophobicContact CZ2-CG 4.46Å
50	S	94.5	Very high	92.6	Very high	17 Å²	17	44.8 Å²	44.8	12%	0.119	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	127.5	175.2	58.5	0	0	0	0	112.3	R38 E41 F210	R38-S50 PolarHBondContact NH2-O 2.9Å; E41-S50 VanDerWaalsContact OE1-CB 3.25Å; E41-S50 WeakPolarHBondContact OE1-CB 3.43Å; E41-S50 PolarHBondContact OE1-OG 3.43Å; E41-S50 WeakPolarHBondContact OE2-CB 3.12Å; E41-S50 PolarHBondContact OE2-OG 3.46Å; S50-F210 WeakPolarHBondContact CA-O 3.39Å
51	A	94.6	Very high	93.3	Very high	6 Å²	6	40.8 Å²	40.8	5%	0.05	23%	0.225	C	C	.	.			trans	-72.4	138.3	169.8	0	0	0	0	0	109.8	W49 E56 V57 F171 F210	W49-A51 HydrophobicContact CZ3-CB 4.23Å; A51-E56 WeakPolarHBondContact CA-OE2 3.38Å; A51-E56 HydrophobicContact CB-CB 3.84Å; A51-V57 HydrophobicContact CB-CG2 4.17Å; A51-F171 HydrophobicContact CB-CZ 4.49Å; A51-F171 WeakPolarHBondContact O-CE1 3.39Å; A51-F210 HydrophobicContact CB-CB 4.1Å; A51-F210 PolarHBondContact N-O 2.86Å
52	K	92.4	Very high	93.7	Very high	134 Å²	134	38.3 Å²	38.3	58%	0.583	21%	0.213	S	C	*	.			trans	-109.4	-16.6	-178.5	-64.5	-171.1	177.6	-171	0	112.8	E56 F171	K52-E56 PolarHBondContact N-OE2 2.88Å; K52-F171 WeakPolarHBondContact O-CD1 3.26Å
53	E	93.9	Very high	94	Very high	105 Å²	105	38 Å²	38	49%	0.491	21%	0.21	S	C	.	.	S	Bend	trans	-142.9	161.5	-177.4	63.4	-172.5	-175.6	0	0	111.3	D55 E56	E53-D55 VanDerWaalsContact C-N 3.27Å; E53-D55 HydrophobicContact CG-CB 4.46Å; E53-D55 PolarHBondContact O-N 2.96Å; E53-E56 HydrophobicContact CG-CB 4.38Å; E53-E56 HydrophobicContact CG-CG 3.72Å; E53-E56 PolarHBondContact O-N 3.12Å
54	F	95	Very high	94.4	Very high	34 Å²	34	35.5 Å²	35.5	15%	0.149	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-58	-37.6	-178.6	177	-97	0	0	0	113	E56 V57 Q128 D131 T132 V134 P169 F171	F54-E56 PolarHBondContact O-N 3.42Å; F54-E56 VanDerWaalsContact O-N 3.16Å; F54-V57 PolarHBondContact O-N 3.47Å; F54-Q128 HydrophobicContact CE1-CG 4.12Å; F54-Q128 HydrophobicContact CZ-CG 4.17Å; F54-D131 WeakPolarHBondContact CD1-O 3.39Å; F54-D131 WeakPolarHBondContact CE1-O 3.21Å; F54-T132 WeakPolarHBondContact CE2-O 3.22Å; F54-T132 VanDerWaalsContact CZ-C 3.48Å; F54-V134 HydrophobicContact CD2-CG1 4.45Å; F54-V134 HydrophobicContact CE2-CG1 3.53Å; F54-V134 HydrophobicContact CZ-CG1 3.77Å; F54-P169 HydrophobicContact CD2-CB 4.48Å; F54-P169 HydrophobicContact CD2-CG 4.28Å; F54-P169 HydrophobicContact CE2-CG 4.37Å; F54-F171 HydrophobicContact CB-CE2 4.47Å
55	D	93.3	Very high	94.5	Very high	92 Å²	92	35.3 Å²	35.3	49%	0.492	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-65.4	-19.6	-177.7	-86.7	-35.4	0	0	0	114.3	E53 K58	E53-D55 VanDerWaalsContact C-N 3.27Å; E53-D55 HydrophobicContact CG-CB 4.46Å; E53-D55 PolarHBondContact O-N 2.96Å; D55-K58 WeakPolarHBondContact O-CD 3.27Å; D55-K58 VanDerWaalsContact O-CE 3.26Å; D55-K58 WeakPolarHBondContact O-CE 3.32Å; D55-K58 IonicContact OD1-NZ 2.74Å; D55-K58 PolarHBondContact OD1-NZ 2.83Å
56	E	93.4	Very high	94.1	Very high	30 Å²	30	39.7 Å²	39.7	14%	0.14	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-86.1	-13.6	176.7	-66.3	179.1	147.6	0	0	113	R38 W49 A51 K52 E53 F54 K58	R38-E56 IonicContact CZ-OE1 2.77Å; R38-E56 IonicContact CZ-OE2 3.13Å; R38-E56 IonicContact NH1-OE1 3.77Å; R38-E56 PolarHBondContact NH1-OE1 3.19Å; R38-E56 IonicContact NH1-OE2 3.86Å; R38-E56 IonicContact NH2-OE1 2.63Å; R38-E56 PolarHBondContact NH2-OE1 3.42Å; R38-E56 IonicContact NH2-OE2 3.18Å; R38-E56 PolarHBondContact NH2-OE2 2.9Å; W49-E56 HydrophobicContact CH2-CB 3.91Å; W49-E56 HydrophobicContact CH2-CG 3.96Å; W49-E56 HydrophobicContact CZ3-CB 3.88Å; W49-E56 HydrophobicContact CZ3-CG 4.11Å; A51-E56 WeakPolarHBondContact CA-OE2 3.38Å; A51-E56 HydrophobicContact CB-CB 3.84Å; K52-E56 PolarHBondContact N-OE2 2.88Å; E53-E56 HydrophobicContact CG-CB 4.38Å; E53-E56 HydrophobicContact CG-CG 3.72Å; E53-E56 PolarHBondContact O-N 3.12Å; F54-E56 PolarHBondContact O-N 3.42Å; F54-E56 VanDerWaalsContact O-N 3.16Å; E56-K58 PolarHBondContact O-N 2.79Å
57	V	95.4	Very high	93.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-84.4	66.6	177	-168.7	0	0	0	0	110	A51 F54 I61 A126 F136 P169 F171 F210	A51-V57 HydrophobicContact CB-CG2 4.17Å; F54-V57 PolarHBondContact O-N 3.47Å; V57-I61 HydrophobicContact CG1-CD1 4.5Å; V57-I61 HydrophobicContact CG1-CG1 4.25Å; V57-A126 HydrophobicContact CG1-CB 4.26Å; V57-F136 HydrophobicContact CG1-CE1 4.12Å; V57-F136 HydrophobicContact CG1-CZ 4.26Å; V57-P169 HydrophobicContact CG1-CG 4.32Å; V57-F171 HydrophobicContact CG2-CE2 4.01Å; V57-F171 HydrophobicContact CG2-CZ 3.6Å; V57-F210 HydrophobicContact CG1-CD1 4.23Å; V57-F210 HydrophobicContact CG1-CG 4.46Å; V57-F210 HydrophobicContact CG2-CB 4.19Å; V57-F210 HydrophobicContact CG2-CD2 4.39Å; V57-F210 HydrophobicContact CG2-CG 4.18Å
58	K	93.8	Very high	92	Very high	50 Å²	50	41.8 Å²	41.8	22%	0.217	22%	0.218	C	C	.	.			trans	-139.2	158.2	-178.7	-60	-176.4	-168.7	179.2	0	110.5	D55 E56 S60 Q128	D55-K58 WeakPolarHBondContact O-CD 3.27Å; D55-K58 VanDerWaalsContact O-CE 3.26Å; D55-K58 WeakPolarHBondContact O-CE 3.32Å; D55-K58 IonicContact OD1-NZ 2.74Å; D55-K58 PolarHBondContact OD1-NZ 2.83Å; E56-K58 PolarHBondContact O-N 2.79Å; K58-S60 PolarHBondContact O-N 2.88Å; K58-Q128 VanDerWaalsContact CE-OE1 3.27Å
59	D	94.8	Very high	90	Very high	100 Å²	100	46.8 Å²	46.8	54%	0.535	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	60	-131	179.5	-51.7	-49	0	0	0	111.2	I61 T125 A126	D59-I61 PolarHBondContact O-N 2.84Å; D59-T125 CarbonylContact O-C 3.51Å; D59-T125 VanDerWaalsContact O-CA 3.28Å; D59-T125 WeakPolarHBondContact O-CA 3.21Å; D59-A126 PolarHBondContact N-O 3.16Å; D59-A126 PolarHBondContact O-N 2.81Å
60	S	97	Very high	88.1	Confident	41 Å²	41	48 Å²	48	29%	0.287	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	117.7	-178.4	-62.6	0	0	0	0	111.5	K58 F124 N213	K58-S60 PolarHBondContact O-N 2.88Å; S60-F124 WeakPolarHBondContact CA-O 3.31Å; S60-N213 WeakPolarHBondContact CB-OD1 3.48Å
61	I	97.8	Very high	85.4	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	139.6	-179.1	-65.4	-66.2	0	0	0	109.9	V57 D59 I63 F124 A126 F136 F210 R211	V57-I61 HydrophobicContact CG1-CD1 4.5Å; V57-I61 HydrophobicContact CG1-CG1 4.25Å; D59-I61 PolarHBondContact O-N 2.84Å; I61-I63 HydrophobicContact CG2-CG1 4.37Å; I61-F124 PolarHBondContact N-O 3.11Å; I61-F124 PolarHBondContact O-N 2.81Å; I61-A126 HydrophobicContact CB-CB 4.19Å; I61-A126 HydrophobicContact CG1-CB 3.68Å; I61-F136 HydrophobicContact CG2-CE1 4.32Å; I61-F210 HydrophobicContact CG2-CB 4.37Å; I61-F210 HydrophobicContact CG2-CD1 4.28Å; I61-R211 CarbonylContact C-O 3.52Å; I61-R211 VanDerWaalsContact CA-O 3.29Å; I61-R211 WeakPolarHBondContact CA-O 3.41Å
62	A	97.9	Very high	82.7	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	142.9	164.5	0	0	0	0	0	109.1	W48 Y97 P118 R211	W48-A62 HydrophobicContact CE3-CB 4.14Å; W48-A62 HydrophobicContact CZ3-CB 4.03Å; A62-Y97 HydrophobicContact CB-CD1 3.89Å; A62-Y97 HydrophobicContact CB-CE1 4.25Å; A62-P118 HydrophobicContact CB-CB 3.85Å; A62-P118 HydrophobicContact CB-CG 3.53Å; A62-R211 PolarHBondContact N-O 2.97Å; A62-R211 PolarHBondContact O-N 2.95Å
63	I	97.6	Very high	79.7	Confident	1 Å²	1	57 Å²	57	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	108	-179.6	-58.2	174	0	0	0	107.7	I61 Y97 L98 F136 L178 V208 F210	I61-I63 HydrophobicContact CG2-CG1 4.37Å; I63-Y97 CarbonylContact O-C 3.57Å; I63-Y97 VanDerWaalsContact O-CA 3.3Å; I63-Y97 WeakPolarHBondContact O-CA 3.27Å; I63-L98 HydrophobicContact CB-CB 4.44Å; I63-L98 HydrophobicContact CB-CD1 3.91Å; I63-L98 HydrophobicContact CB-CG 4.07Å; I63-L98 HydrophobicContact CD1-CD1 4.09Å; I63-L98 HydrophobicContact CG2-CD1 3.84Å; I63-L98 HydrophobicContact CG2-CG 4.13Å; I63-L98 PolarHBondContact O-N 2.82Å; I63-F136 HydrophobicContact CD1-CD1 4.45Å; I63-F136 HydrophobicContact CD1-CD2 4.48Å; I63-F136 HydrophobicContact CD1-CE1 4.24Å; I63-F136 HydrophobicContact CD1-CE2 4.27Å; I63-F136 HydrophobicContact CD1-CZ 4.14Å; I63-L178 HydrophobicContact CD1-CD2 4.34Å; I63-V208 HydrophobicContact CG2-CB 4.06Å; I63-V208 HydrophobicContact CG2-CG1 4.28Å; I63-V208 HydrophobicContact CG2-CG2 4.43Å; I63-F210 HydrophobicContact CD1-CE1 4.24Å; I63-F210 HydrophobicContact CG1-CD1 4.01Å; I63-F210 HydrophobicContact CG1-CE1 4.16Å
64	Q	95.9	Very high	76.9	Confident	14 Å²	14	56.7 Å²	56.7	7%	0.065	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	133.2	174.1	-172.3	-176.9	-21.7	0	0	109.6	A95 C96 Y97 V208 I209 R211	Q64-A95 HydrophobicContact CG-CB 4.35Å; Q64-C96 VanDerWaalsContact CA-O 3.31Å; Q64-C96 WeakPolarHBondContact CA-O 3.44Å; Q64-C96 WeakPolarHBondContact CG-O 3.4Å; Q64-Y97 HydrophobicContact CB-CD1 3.88Å; Q64-Y97 HydrophobicContact CB-CE1 3.69Å; Q64-Y97 HydrophobicContact CG-CD1 4.46Å; Q64-Y97 HydrophobicContact CG-CE1 4.16Å; Q64-V208 CarbonylContact O-C 3.46Å; Q64-V208 VanDerWaalsContact O-CA 3.28Å; Q64-V208 WeakPolarHBondContact O-CA 3.43Å; Q64-V208 WeakPolarHBondContact O-CB 3Å; Q64-I209 HydrophobicContact CB-CB 4.06Å; Q64-I209 PolarHBondContact N-O 3.4Å; Q64-I209 PolarHBondContact O-N 2.86Å; Q64-R211 VanDerWaalsContact OE1-CZ 3.23Å
65	V	93.3	Very high	74.2	Confident	7 Å²	7	60.6 Å²	60.6	4%	0.042	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	147	176.3	-66.7	0	0	0	0	110	V67 C96 L98 I108 L186 V208	V65-V67 HydrophobicContact CG2-CG2 4.46Å; V65-C96 HydrophobicContact CG2-CB 4.35Å; V65-C96 PolarHBondContact N-O 2.83Å; V65-L98 HydrophobicContact CG1-CD2 3.63Å; V65-L98 HydrophobicContact CG1-CG 3.98Å; V65-L98 HydrophobicContact CG2-CD2 4.41Å; V65-I108 HydrophobicContact CG2-CD1 4.26Å; V65-I108 HydrophobicContact CG2-CG1 4.18Å; V65-I108 HydrophobicContact CG2-CG2 3.96Å; V65-L186 HydrophobicContact CG1-CD2 3.97Å; V65-V208 HydrophobicContact CG1-CG1 4.24Å
66	Y	84.9	Confident	71.6	Confident	106 Å²	106	62.4 Å²	62.4	42%	0.416	35%	0.353	S	S	.	.			trans	-85.9	121	171.5	-67.2	-77.1	0	0	0	109.5	M207 I209	Y66-M207 HydrophobicContact CD2-CB 4.01Å; Y66-M207 WeakPolarHBondContact CD2-O 3.41Å; Y66-M207 HydrophobicContact CE2-CB 3.96Å; Y66-I209 WeakPolarHBondContact OH-CD1 3.42Å
67	V	76.2	Confident	69.5	Low	32 Å²	32	66.4 Å²	66.4	19%	0.194	37%	0.372	C	S	.	.			trans	-97.7	141.1	173.1	-172.6	0	0	0	0	107.4	V65 T69 D70 C96 I108	V65-V67 HydrophobicContact CG2-CG2 4.46Å; V67-T69 HydrophobicContact CG1-CG2 4.43Å; V67-T69 PolarHBondContact O-N 3.37Å; V67-D70 WeakPolarHBondContact O-CB 3.23Å; V67-D70 PolarHBondContact O-N 3.27Å; V67-C96 HydrophobicContact CG2-CB 3.88Å; V67-I108 HydrophobicContact CG2-CD1 4.06Å; V67-I108 HydrophobicContact CG2-CG2 3.88Å
68	A	61.4	Low	67.3	Low	84 Å²	84	72.2 Å²	72.2	69%	0.694	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-8	-175.7	0	0	0	0	0	114.7	D70	A68-D70 PolarHBondContact O-N 2.84Å
69	T	53.9	Low	64.7	Low	118 Å²	118	76.4 Å²	76.4	72%	0.724	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-17.3	167.2	51.7	0	0	0	0	112.9	V67 K71	V67-T69 HydrophobicContact CG1-CG2 4.43Å; V67-T69 PolarHBondContact O-N 3.37Å; T69-K71 VanDerWaalsContact C-N 3.31Å; T69-K71 PolarHBondContact O-N 2.87Å
70	D	53	Low	62.1	Low	38 Å²	38	74.7 Å²	74.7	20%	0.203	42%	0.422	C	S	.	.			trans	-91.3	39.8	178.9	-57.8	-25.8	0	0	0	112.3	V67 A68 P72	V67-D70 WeakPolarHBondContact O-CB 3.23Å; V67-D70 PolarHBondContact O-N 3.27Å; A68-D70 PolarHBondContact O-N 2.84Å; D70-P72 WeakPolarHBondContact O-CD 3.37Å; D70-P72 VanDerWaalsContact O-N 3.1Å
71	K	38.5	Very low	59.6	Low	180 Å²	180	76 Å²	76	78%	0.783	44%	0.436	S	S	*	.			trans	-66.8	111	167.9	-80	-175.7	-178.2	176.9	0	107.6	T69 S73	T69-K71 VanDerWaalsContact C-N 3.31Å; T69-K71 PolarHBondContact O-N 2.87Å; K71-S73 PolarHBondContact O-N 2.83Å
72	P	36.6	Very low	56.9	Low	106 Å²	106	81.7 Å²	81.7	69%	0.688	47%	0.471	S	S	*	.			trans	-59.2	128.2	157.6	28.7	-31.8	0	0	0	105.2	D70 T74	D70-P72 WeakPolarHBondContact O-CD 3.37Å; D70-P72 VanDerWaalsContact O-N 3.1Å; P72-T74 PolarHBondContact O-N 2.93Å
73	S	30.6	Very low	54.6	Low	58 Å²	58	92.2 Å²	92.2	41%	0.406	51%	0.51	S	S	.	.			trans	-49	135.5	167.9	45.3	0	0	0	0	108.3	K71 E77	K71-S73 PolarHBondContact O-N 2.83Å; S73-E77 WeakPolarHBondContact CB-OE2 3.26Å; S73-E77 PolarHBondContact OG-OE2 3.03Å
74	T	33.9	Very low	51.7	Low	100 Å²	100	95.3 Å²	95.3	61%	0.613	53%	0.532	S	S	*	.			trans	-27.8	145.4	-179.2	-1.3	0	0	0	0	114.2	P72 D76 E77	P72-T74 PolarHBondContact O-N 2.93Å; T74-D76 PolarHBondContact O-N 3.4Å; T74-E77 PolarHBondContact O-N 3.17Å
75	T	39.2	Very low	48.9	Very low	115 Å²	115	99 Å²	99	71%	0.706	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46.5	-11.5	-179.3	-20.6	0	0	0	0	116
76	D	39.1	Very low	46.2	Very low	131 Å²	131	106.6 Å²	106.6	70%	0.701	61%	0.609	S	S	*	*	H	α-helix	trans	-76.3	-21.2	172.5	-66.7	-35.1	0	0	0	114.4	T74	T74-D76 PolarHBondContact O-N 3.4Å
77	E	48.4	Very low	43.8	Very low	113 Å²	113	108.6 Å²	108.6	53%	0.528	63%	0.627	S	S	.	*	H	α-helix	trans	-87.2	-27.8	-177.2	-69.4	-170.9	-168.2	0	0	113.7	S73 T74 E79 A80 A81	S73-E77 WeakPolarHBondContact CB-OE2 3.26Å; S73-E77 PolarHBondContact OG-OE2 3.03Å; T74-E77 PolarHBondContact O-N 3.17Å; E77-E79 VanDerWaalsContact C-N 3.33Å; E77-E79 PolarHBondContact O-N 3.2Å; E77-A80 PolarHBondContact O-N 2.85Å; E77-A81 PolarHBondContact O-N 3.31Å
78	L	48.8	Very low	41.8	Very low	122 Å²	122	111.8 Å²	111.8	64%	0.639	66%	0.657	S	S	*	*	H	α-helix	trans	-68.8	-29	174.2	-87.6	134.2	0	0	0	112.9	T82	L78-T82 PolarHBondContact O-OG1 3.12Å
79	E	40	Very low	40.7	Very low	139 Å²	139	115 Å²	115	65%	0.65	66%	0.662	S	S	*	*	H	α-helix	trans	-79.6	-20.5	174.6	-65.6	-165	166.4	0	0	113	E77	E77-E79 VanDerWaalsContact C-N 3.33Å; E77-E79 PolarHBondContact O-N 3.2Å
80	A	41.1	Very low	40.4	Very low	64 Å²	64	116.6 Å²	116.6	53%	0.529	67%	0.666	S	S	.	*	H	α-helix	trans	-81.4	-36.3	176.8	0	0	0	0	0	112.8	E77 T82 R83	E77-A80 PolarHBondContact O-N 2.85Å; A80-T82 PolarHBondContact O-N 3.03Å; A80-R83 PolarHBondContact O-N 3.22Å
81	A	43.7	Very low	40.7	Very low	68 Å²	68	123.4 Å²	123.4	56%	0.562	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-65	-19.7	177.7	0	0	0	0	0	113.7	E77 R83	E77-A81 PolarHBondContact O-N 3.31Å; A81-R83 VanDerWaalsContact C-N 3.28Å; A81-R83 PolarHBondContact O-N 3.15Å
82	T	41.7	Very low	42.2	Very low	120 Å²	120	117.7 Å²	117.7	74%	0.736	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-78.3	-6.1	-178.7	-55.5	0	0	0	0	113.3	L78 A80	L78-T82 PolarHBondContact O-OG1 3.12Å; A80-T82 PolarHBondContact O-N 3.03Å
83	R	48	Very low	44.1	Very low	221 Å²	221	116.9 Å²	116.9	83%	0.834	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-103.3	-6.3	-177.1	-63.1	-174.9	-165.9	-179.2	5.5	115.5	A80 A81	A80-R83 PolarHBondContact O-N 3.22Å; A81-R83 VanDerWaalsContact C-N 3.28Å; A81-R83 PolarHBondContact O-N 3.15Å
84	S	38.7	Very low	46.6	Very low	65 Å²	65	115.2 Å²	115.2	46%	0.455	66%	0.658	S	S	.	*	S	Bend	trans	-113.6	111.7	173.4	52.7	0	0	0	0	109.4	Q86	S84-Q86 PolarHBondContact O-N 2.73Å
85	G	36.4	Very low	49.3	Very low	93 Å²	93	110.5 Å²	110.5	96%	0.959	63%	0.628	S	S	*	*			trans	-68.9	55.7	178.2	0	0	0	0	0	114
86	Q	37.1	Very low	52	Low	166 Å²	166	105.4 Å²	105.4	78%	0.776	60%	0.597	S	S	*	*	S	Bend	trans	-118.4	126.3	175.7	-70.7	-177.1	-17.3	0	0	108.2	S84 A88	S84-Q86 PolarHBondContact O-N 2.73Å; Q86-A88 PolarHBondContact O-N 2.79Å
87	N	34.4	Very low	54.7	Low	148 Å²	148	99.1 Å²	99.1	79%	0.791	56%	0.564	S	S	*	*			trans	-28	126.2	-175.8	-59.8	-37.7	0	0	0	115	N89	N87-N89 PolarHBondContact O-N 3.42Å
88	A	34	Very low	57	Low	99 Å²	99	93.8 Å²	93.8	82%	0.818	54%	0.539	S	S	*	.			trans	-62.3	79.9	168.9	0	0	0	0	0	110.6	Q86 N90	Q86-A88 PolarHBondContact O-N 2.79Å; A88-N90 PolarHBondContact O-N 3.35Å
89	N	37.4	Very low	59.3	Low	150 Å²	150	88.5 Å²	88.5	80%	0.802	51%	0.512	S	S	*	.			trans	-70.8	82.8	151	-72.4	-14.5	0	0	0	105.2	N87 E91	N87-N89 PolarHBondContact O-N 3.42Å; N89-E91 PolarHBondContact O-N 2.87Å
90	N	48.4	Very low	62.1	Low	153 Å²	153	82 Å²	82	82%	0.818	48%	0.482	S	S	*	.			trans	-55.9	105.6	173.2	-152.5	39.3	0	0	0	106.3	A88 F92	A88-N90 PolarHBondContact O-N 3.35Å; N90-F92 PolarHBondContact O-N 3.34Å
91	E	58.7	Low	64.7	Low	181 Å²	181	80.6 Å²	80.6	85%	0.846	47%	0.467	S	S	*	.			trans	-63.6	101.6	-173.1	-164.7	167	-166.7	0	0	107.5	N89 T93	N89-E91 PolarHBondContact O-N 2.87Å; E91-T93 PolarHBondContact O-N 3.45Å
92	F	70.5	Confident	67.2	Low	60 Å²	60	83.5 Å²	83.5	26%	0.263	47%	0.473	S	S	.	.			trans	-66.9	103.9	-178.8	-179.8	-90.6	0	0	0	107.8	A44 H45 N90 G94 A95 R112 Y114	A44-F92 HydrophobicContact CB-CD2 4.05Å; A44-F92 HydrophobicContact CB-CE2 3.74Å; A44-F92 WeakPolarHBondContact O-CE2 3.32Å; A44-F92 WeakPolarHBondContact O-CZ 3.4Å; H45-F92 AromaticContact CE1-CE2 3.54Å; H45-F92 AromaticContact CE1-CZ 3.48Å; H45-F92 VanDerWaalsContact CE1-CZ 3.48Å; H45-F92 WeakPolarHBondContact CE1-CZ 3.4Å; H45-F92 AromaticContact ND1-CZ 3.73Å; H45-F92 AromaticContact NE2-CE2 3.59Å; N90-F92 PolarHBondContact O-N 3.34Å; F92-G94 PolarHBondContact O-N 2.86Å; F92-A95 HydrophobicContact CZ-CB 4.29Å; F92-R112 WeakPolarHBondContact CE1-O 3.34Å; F92-Y114 HydrophobicContact CB-CD2 4.16Å; F92-Y114 AromaticContact CD2-CD2 3.82Å; F92-Y114 HydrophobicContact CD2-CD2 3.82Å; F92-Y114 HydrophobicContact CE2-CD2 4.42Å; F92-Y114 HydrophobicContact CG-CD2 4.04Å
93	T	75.9	Confident	69.7	Low	89 Å²	89	85.1 Å²	85.1	55%	0.546	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-65.9	127.2	170.9	56	0	0	0	0	107.6	E91 A95	E91-T93 PolarHBondContact O-N 3.45Å; T93-A95 PolarHBondContact O-N 2.91Å
94	G	83.4	Confident	71.9	Confident	23 Å²	23	75 Å²	75	24%	0.237	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-53.7	134.6	-175.2	0	0	0	0	0	111.5	F92 R112	F92-G94 PolarHBondContact O-N 2.86Å; G94-R112 VanDerWaalsContact CA-O 3.31Å; G94-R112 WeakPolarHBondContact CA-O 3.44Å
95	A	91	Very high	74.6	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	44%	0.438	C	S	.	.	B	Isolated β-bridge	trans	-92.4	123.2	-177.7	0	0	0	0	0	110.2	Q64 F92 T93 Y97 R112	Q64-A95 HydrophobicContact CG-CB 4.35Å; F92-A95 HydrophobicContact CZ-CB 4.29Å; T93-A95 PolarHBondContact O-N 2.91Å; A95-Y97 HydrophobicContact CB-CE2 3.88Å; A95-R112 PolarHBondContact N-O 3.19Å; A95-R112 WeakPolarHBondContact O-CB 3.49Å; A95-R112 PolarHBondContact O-N 3.31Å
96	C	94.4	Very high	77.5	Confident	8 Å²	8	72.2 Å²	72.2	5%	0.054	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	137.3	174.6	-62.4	0	0	0	0	110.4	Q64 V65 V67 I108	Q64-C96 VanDerWaalsContact CA-O 3.31Å; Q64-C96 WeakPolarHBondContact CA-O 3.44Å; Q64-C96 WeakPolarHBondContact CG-O 3.4Å; V65-C96 HydrophobicContact CG2-CB 4.35Å; V65-C96 PolarHBondContact N-O 2.83Å; V67-C96 HydrophobicContact CG2-CB 3.88Å; C96-I108 HydrophobicContact CB-CG2 3.63Å
97	Y	96.4	Very high	80.3	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	154.9	-179.9	-61.1	-81.7	0	0	0	110.8	H45 A62 I63 Q64 A95 S99 G109 R112 P118 R211	H45-Y97 PolarHBondContact ND1-OH 3.38Å; A62-Y97 HydrophobicContact CB-CD1 3.89Å; A62-Y97 HydrophobicContact CB-CE1 4.25Å; I63-Y97 CarbonylContact O-C 3.57Å; I63-Y97 VanDerWaalsContact O-CA 3.3Å; I63-Y97 WeakPolarHBondContact O-CA 3.27Å; Q64-Y97 HydrophobicContact CB-CD1 3.88Å; Q64-Y97 HydrophobicContact CB-CE1 3.69Å; Q64-Y97 HydrophobicContact CG-CD1 4.46Å; Q64-Y97 HydrophobicContact CG-CE1 4.16Å; A95-Y97 HydrophobicContact CB-CE2 3.88Å; Y97-S99 PolarHBondContact O-N 2.96Å; Y97-G109 PolarHBondContact O-N 2.83Å; Y97-R112 HydrophobicContact CD2-CG 3.73Å; Y97-R112 HydrophobicContact CE2-CB 4.08Å; Y97-R112 HydrophobicContact CE2-CG 3.58Å; Y97-P118 HydrophobicContact CD1-CG 4.22Å; Y97-P118 HydrophobicContact CD2-CB 4.3Å; Y97-P118 HydrophobicContact CD2-CG 4.26Å; Y97-P118 HydrophobicContact CE1-CG 4Å; Y97-P118 HydrophobicContact CE2-CG 4.06Å; Y97-P118 HydrophobicContact CG-CB 4.35Å; Y97-P118 HydrophobicContact CG-CG 4.34Å; Y97-R211 HydrophobicContact CE1-CG 4.29Å; Y97-R211 WeakPolarHBondContact OH-CD 3.18Å; Y97-R211 PolarHBondContact OH-NE 2.84Å
98	L	97.3	Very high	83.2	Confident	0 Å²	0	62 Å²	62	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	134.1	165.2	-62.8	-172.8	0	0	0	109.4	I63 V65 V106 E122 F124 L154 L186 I195	I63-L98 HydrophobicContact CB-CB 4.44Å; I63-L98 HydrophobicContact CB-CD1 3.91Å; I63-L98 HydrophobicContact CB-CG 4.07Å; I63-L98 HydrophobicContact CD1-CD1 4.09Å; I63-L98 HydrophobicContact CG2-CD1 3.84Å; I63-L98 HydrophobicContact CG2-CG 4.13Å; I63-L98 PolarHBondContact O-N 2.82Å; V65-L98 HydrophobicContact CG1-CD2 3.63Å; V65-L98 HydrophobicContact CG1-CG 3.98Å; V65-L98 HydrophobicContact CG2-CD2 4.41Å; L98-V106 HydrophobicContact CB-CG1 4.13Å; L98-V106 HydrophobicContact CD2-CG1 4.44Å; L98-E122 WeakPolarHBondContact O-CA 3.4Å; L98-E122 WeakPolarHBondContact O-CB 3.22Å; L98-F124 HydrophobicContact CB-CE2 3.93Å; L98-F124 HydrophobicContact CB-CZ 4.15Å; L98-F124 WeakPolarHBondContact O-CE2 3.3Å; L98-L154 HydrophobicContact CD1-CD2 4.11Å; L98-L186 HydrophobicContact CD1-CD1 3.87Å; L98-I195 HydrophobicContact CD2-CD1 3.63Å; L98-I195 HydrophobicContact CD2-CG1 3.7Å; L98-I195 HydrophobicContact CD2-CG2 4.26Å
99	S	97.4	Very high	86.1	Confident	12 Å²	12	57.6 Å²	57.6	8%	0.084	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	129	179.7	-176.5	0	0	0	0	109.8	Y97 V106 V107 E121	Y97-S99 PolarHBondContact O-N 2.96Å; S99-V106 WeakPolarHBondContact O-CA 3.32Å; S99-V107 PolarHBondContact N-O 3.06Å; S99-V107 PolarHBondContact O-N 2.74Å; S99-E121 WeakPolarHBondContact OG-CG 3.43Å
100	A	97.6	Very high	88.7	Confident	2 Å²	2	54.2 Å²	54.2	2%	0.017	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	146.7	173.5	0	0	0	0	0	110.9	E121 F124 Y140	A100-E121 PolarHBondContact N-O 2.89Å; A100-F124 HydrophobicContact CB-CE1 4.05Å; A100-F124 HydrophobicContact CB-CZ 4.42Å; A100-Y140 HydrophobicContact CB-CD2 3.99Å; A100-Y140 HydrophobicContact CB-CE2 4.15Å; A100-Y140 VanDerWaalsContact O-CE2 3.32Å; A100-Y140 WeakPolarHBondContact O-CE2 3.16Å
101	T	96.8	Very high	90.8	Very high	35 Å²	35	50.9 Å²	50.9	22%	0.215	28%	0.284	C	S	.	.			trans	-107	160.8	170.8	62.3	0	0	0	0	110.5	E103 G104 L105 V107	T101-E103 PolarHBondContact O-N 2.81Å; T101-G104 PolarHBondContact O-N 3.11Å; T101-G104 VanDerWaalsContact O-N 3.13Å; T101-L105 HydrophobicContact CG2-CB 4.47Å; T101-L105 PolarHBondContact N-O 3.27Å; T101-L105 WeakPolarHBondContact OG1-CA 3.43Å; T101-L105 VanDerWaalsContact OG1-CB 3.32Å; T101-L105 WeakPolarHBondContact OG1-CB 3.47Å; T101-L105 PolarHBondContact OG1-N 2.88Å; T101-L105 PolarHBondContact OG1-O 2.98Å; T101-V107 HydrophobicContact CG2-CG2 4.26Å
102	D	95.1	Very high	92.5	Very high	129 Å²	129	43.6 Å²	43.6	69%	0.69	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-25.1	174	59	-23.4	0	0	0	113.1	G104 Y140	D102-G104 PolarHBondContact O-N 2.92Å; D102-Y140 HydrophobicContact CB-CD1 4.14Å; D102-Y140 HydrophobicContact CB-CE1 3.81Å
103	E	95.6	Very high	93.5	Very high	154 Å²	154	48.3 Å²	48.3	72%	0.72	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-6.9	172.2	-60.5	-174.2	172.7	0	0	113.6	T101	T101-E103 PolarHBondContact O-N 2.81Å
104	G	94.3	Very high	94.3	Very high	7 Å²	7	51 Å²	51	7%	0.072	27%	0.27	C	S	.	.	S	Bend	trans	83.3	13.2	-179.5	0	0	0	0	0	114.3	T101 D102 A156	T101-G104 PolarHBondContact O-N 3.11Å; T101-G104 VanDerWaalsContact O-N 3.13Å; D102-G104 PolarHBondContact O-N 2.92Å; G104-A156 WeakPolarHBondContact CA-O 3.44Å; G104-A156 PolarHBondContact O-N 3.2Å
105	L	95.4	Very high	94.7	Very high	95 Å²	95	51.6 Å²	51.6	50%	0.497	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-81.2	152.7	167	-54.5	175	0	0	0	110.4	T101	T101-L105 HydrophobicContact CG2-CB 4.47Å; T101-L105 PolarHBondContact N-O 3.27Å; T101-L105 WeakPolarHBondContact OG1-CA 3.43Å; T101-L105 VanDerWaalsContact OG1-CB 3.32Å; T101-L105 WeakPolarHBondContact OG1-CB 3.47Å; T101-L105 PolarHBondContact OG1-N 2.88Å; T101-L105 PolarHBondContact OG1-O 2.98Å
106	V	96.9	Very high	94.8	Very high	6 Å²	6	54.8 Å²	54.8	4%	0.036	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	121.6	171.1	-177.7	0	0	0	0	108.4	L98 S99 L154 A156	L98-V106 HydrophobicContact CB-CG1 4.13Å; L98-V106 HydrophobicContact CD2-CG1 4.44Å; S99-V106 WeakPolarHBondContact O-CA 3.32Å; V106-L154 HydrophobicContact CB-CD2 4.37Å; V106-L154 HydrophobicContact CB-CG 4.26Å; V106-L154 HydrophobicContact CG1-CD2 4.03Å; V106-L154 HydrophobicContact CG1-CG 4.47Å; V106-L154 HydrophobicContact CG2-CG 4.21Å; V106-A156 HydrophobicContact CG2-CB 4.01Å
107	V	95.5	Very high	94.9	Very high	60 Å²	60	57.1 Å²	57.1	36%	0.364	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	172.7	-175.7	-59.4	0	0	0	0	110.4	S99 T101	S99-V107 PolarHBondContact N-O 3.06Å; S99-V107 PolarHBondContact O-N 2.74Å; T101-V107 HydrophobicContact CG2-CG2 4.26Å
108	I	95.1	Very high	94.9	Very high	39 Å²	39	57.4 Å²	57.4	20%	0.2	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	120.8	171.6	-55.7	177.5	0	0	0	108.6	V65 V67 C96 A188 I195	V65-I108 HydrophobicContact CG2-CD1 4.26Å; V65-I108 HydrophobicContact CG2-CG1 4.18Å; V65-I108 HydrophobicContact CG2-CG2 3.96Å; V67-I108 HydrophobicContact CG2-CD1 4.06Å; V67-I108 HydrophobicContact CG2-CG2 3.88Å; C96-I108 HydrophobicContact CB-CG2 3.63Å; I108-A188 HydrophobicContact CD1-CB 3.73Å; I108-I195 HydrophobicContact CD1-CD1 3.95Å; I108-I195 HydrophobicContact CG1-CD1 3.61Å; I108-I195 HydrophobicContact CG1-CG1 4.47Å
109	G	94.2	Very high	94.9	Very high	6 Å²	6	58 Å²	58	6%	0.062	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-66.6	162.5	174.1	0	0	0	0	0	112.6	Y97	Y97-G109 PolarHBondContact O-N 2.83Å
110	P	92.6	Very high	94.9	Very high	79 Å²	79	62.2 Å²	62.2	51%	0.513	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-62.2	153.2	177.7	29	-35.3	0	0	0	111.3	R112	P110-R112 PolarHBondContact O-N 2.97Å
111	P	93.1	Very high	94.8	Very high	84 Å²	84	65.5 Å²	65.5	55%	0.545	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-62.8	121.7	178.4	25	-33.7	0	0	0	111.1
112	R	93.2	Very high	94.9	Very high	28 Å²	28	63.9 Å²	63.9	11%	0.106	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-76.3	144.2	175	-60.3	-64	170.5	-165.9	-12.2	110.8	F92 G94 A95 Y97 P110 E116 E122	F92-R112 WeakPolarHBondContact CE1-O 3.34Å; G94-R112 VanDerWaalsContact CA-O 3.31Å; G94-R112 WeakPolarHBondContact CA-O 3.44Å; A95-R112 PolarHBondContact N-O 3.19Å; A95-R112 WeakPolarHBondContact O-CB 3.49Å; A95-R112 PolarHBondContact O-N 3.31Å; Y97-R112 HydrophobicContact CD2-CG 3.73Å; Y97-R112 HydrophobicContact CE2-CB 4.08Å; Y97-R112 HydrophobicContact CE2-CG 3.58Å; P110-R112 PolarHBondContact O-N 2.97Å; R112-E116 HydrophobicContact CB-CB 4.31Å; R112-E116 VanDerWaalsContact CD-OE1 3.3Å; R112-E116 WeakPolarHBondContact CD-OE1 3.45Å; R112-E116 IonicContact CZ-OE1 3.22Å; R112-E116 IonicContact NE-OE1 2.94Å; R112-E116 IonicContact NH1-OE1 2.7Å; R112-E116 PolarHBondContact NH1-OE1 3.45Å; R112-E122 IonicContact CZ-OE1 3.06Å; R112-E122 IonicContact CZ-OE2 3.74Å; R112-E122 IonicContact NE-OE1 2.69Å; R112-E122 PolarHBondContact NE-OE1 3.03Å; R112-E122 IonicContact NE-OE2 2.88Å; R112-E122 PolarHBondContact NE-OE2 3.16Å; R112-E122 IonicContact NH2-OE1 2.74Å; R112-E122 PolarHBondContact NH2-OE1 3.2Å; R112-E122 IonicContact NH2-OE2 3.94Å; R112-E122 PolarHBondContact NH2-OE2 3.29Å; R112-E122 VanDerWaalsContact NH2-OE2 3.11Å
113	K	92	Very high	95	Very high	158 Å²	158	59.8 Å²	59.8	69%	0.687	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-85	168	176.2	-65.1	176.4	-176.1	172.7	0	111.3	G115 E116	K113-G115 PolarHBondContact O-N 3.4Å; K113-E116 PolarHBondContact N-OE2 3.5Å; K113-E116 VanDerWaalsContact N-OE2 3.16Å; K113-E116 VanDerWaalsContact O-CB 3.29Å; K113-E116 WeakPolarHBondContact O-CB 3.47Å; K113-E116 PolarHBondContact O-N 2.9Å
114	Y	92.6	Very high	95.1	Very high	147 Å²	147	52.4 Å²	52.4	58%	0.576	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	127.4	172.6	-177.7	-85.4	0	0	0	111.2	A44 F92 E116	A44-Y114 VanDerWaalsContact CA-CE2 3.46Å; A44-Y114 HydrophobicContact CB-CD2 3.7Å; A44-Y114 HydrophobicContact CB-CE2 3.36Å; F92-Y114 HydrophobicContact CB-CD2 4.16Å; F92-Y114 AromaticContact CD2-CD2 3.82Å; F92-Y114 HydrophobicContact CD2-CD2 3.82Å; F92-Y114 HydrophobicContact CE2-CD2 4.42Å; F92-Y114 HydrophobicContact CG-CD2 4.04Å; Y114-E116 VanDerWaalsContact C-N 3.26Å; Y114-E116 PolarHBondContact O-N 2.85Å
115	G	92.1	Very high	95.3	Very high	35 Å²	35	55.1 Å²	55.1	36%	0.361	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	-1.8	179.8	0	0	0	0	0	114.8	D43 A44 G46 K113	D43-G115 WeakPolarHBondContact O-CA 3.48Å; A44-G115 PolarHBondContact O-N 2.79Å; G46-G115 VanDerWaalsContact CA-O 3.26Å; G46-G115 WeakPolarHBondContact CA-O 3.47Å; K113-G115 PolarHBondContact O-N 3.4Å
116	E	94.2	Very high	95.4	Very high	66 Å²	66	50.8 Å²	50.8	31%	0.308	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-86.4	127.5	176.2	-165.6	-176.7	162.8	0	0	110	H45 R112 K113 Y114	H45-E116 CarbonylContact C-O 3.6Å; R112-E116 HydrophobicContact CB-CB 4.31Å; R112-E116 VanDerWaalsContact CD-OE1 3.3Å; R112-E116 WeakPolarHBondContact CD-OE1 3.45Å; R112-E116 IonicContact CZ-OE1 3.22Å; R112-E116 IonicContact NE-OE1 2.94Å; R112-E116 IonicContact NH1-OE1 2.7Å; R112-E116 PolarHBondContact NH1-OE1 3.45Å; K113-E116 PolarHBondContact N-OE2 3.5Å; K113-E116 VanDerWaalsContact N-OE2 3.16Å; K113-E116 VanDerWaalsContact O-CB 3.29Å; K113-E116 WeakPolarHBondContact O-CB 3.47Å; K113-E116 PolarHBondContact O-N 2.9Å; Y114-E116 VanDerWaalsContact C-N 3.26Å; Y114-E116 PolarHBondContact O-N 2.85Å
117	P	95.2	Very high	95.4	Very high	58 Å²	58	53.5 Å²	53.5	38%	0.377	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-76.2	162.5	174.6	32.8	-34.9	0	0	0	111.2
118	P	96.7	Very high	95.5	Very high	6 Å²	6	54.6 Å²	54.6	4%	0.039	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-52.9	142.5	164.2	-22	32.8	0	0	0	111.5	W48 A62 Y97 E122 I123	W48-P118 HydrophobicContact CD2-CG 4Å; W48-P118 HydrophobicContact CE3-CG 4.44Å; W48-P118 HydrophobicContact CG-CG 4.17Å; A62-P118 HydrophobicContact CB-CB 3.85Å; A62-P118 HydrophobicContact CB-CG 3.53Å; Y97-P118 HydrophobicContact CD1-CG 4.22Å; Y97-P118 HydrophobicContact CD2-CB 4.3Å; Y97-P118 HydrophobicContact CD2-CG 4.26Å; Y97-P118 HydrophobicContact CE1-CG 4Å; Y97-P118 HydrophobicContact CE2-CG 4.06Å; Y97-P118 HydrophobicContact CG-CB 4.35Å; Y97-P118 HydrophobicContact CG-CG 4.34Å; P118-E122 VanDerWaalsContact CA-OE2 3.29Å; P118-E122 WeakPolarHBondContact CA-OE2 3.48Å; P118-E122 HydrophobicContact CB-CB 3.96Å; P118-I123 HydrophobicContact CB-CG1 4.17Å
119	A	97	Very high	95.5	Very high	11 Å²	11	55.7 Å²	55.7	9%	0.091	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-70.6	161	175	0	0	0	0	0	111.9	E121 E122 I123	A119-E121 HydrophobicContact CB-CG 4.31Å; A119-E121 WeakPolarHBondContact CB-OE1 3.24Å; A119-E121 PolarHBondContact O-N 2.8Å; A119-E121 VanDerWaalsContact O-N 3.15Å; A119-E122 HydrophobicContact CB-CG 4.39Å; A119-E122 PolarHBondContact N-OE2 2.95Å; A119-E122 WeakPolarHBondContact O-CA 3.32Å; A119-E122 WeakPolarHBondContact O-CB 3.29Å; A119-E122 PolarHBondContact O-N 2.59Å; A119-I123 WeakPolarHBondContact O-CG1 3.26Å; A119-I123 PolarHBondContact O-N 2.9Å
120	P	96.8	Very high	95.6	Very high	102 Å²	102	57.5 Å²	57.5	66%	0.662	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-52.1	-37.9	179.6	-28.5	36.9	0	0	0	114.4	E122 I123	P120-E122 VanDerWaalsContact C-N 3.27Å; P120-E122 PolarHBondContact O-N 3.02Å; P120-I123 PolarHBondContact O-N 3.39Å
121	E	96.9	Very high	95.7	Very high	71 Å²	71	60.5 Å²	60.5	33%	0.332	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-71.7	-17.2	176.6	60.6	-86.3	-163.7	0	0	114.2	S99 A100 A119	S99-E121 WeakPolarHBondContact OG-CG 3.43Å; A100-E121 PolarHBondContact N-O 2.89Å; A119-E121 HydrophobicContact CB-CG 4.31Å; A119-E121 WeakPolarHBondContact CB-OE1 3.24Å; A119-E121 PolarHBondContact O-N 2.8Å; A119-E121 VanDerWaalsContact O-N 3.15Å
122	E	97.7	Very high	95.8	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-93	-5.2	176.3	-64.3	167.8	172.1	0	0	113	L98 R112 P118 A119 P120 F124	L98-E122 WeakPolarHBondContact O-CA 3.4Å; L98-E122 WeakPolarHBondContact O-CB 3.22Å; R112-E122 IonicContact CZ-OE1 3.06Å; R112-E122 IonicContact CZ-OE2 3.74Å; R112-E122 IonicContact NE-OE1 2.69Å; R112-E122 PolarHBondContact NE-OE1 3.03Å; R112-E122 IonicContact NE-OE2 2.88Å; R112-E122 PolarHBondContact NE-OE2 3.16Å; R112-E122 IonicContact NH2-OE1 2.74Å; R112-E122 PolarHBondContact NH2-OE1 3.2Å; R112-E122 IonicContact NH2-OE2 3.94Å; R112-E122 PolarHBondContact NH2-OE2 3.29Å; R112-E122 VanDerWaalsContact NH2-OE2 3.11Å; P118-E122 VanDerWaalsContact CA-OE2 3.29Å; P118-E122 WeakPolarHBondContact CA-OE2 3.48Å; P118-E122 HydrophobicContact CB-CB 3.96Å; A119-E122 HydrophobicContact CB-CG 4.39Å; A119-E122 PolarHBondContact N-OE2 2.95Å; A119-E122 WeakPolarHBondContact O-CA 3.32Å; A119-E122 WeakPolarHBondContact O-CB 3.29Å; A119-E122 PolarHBondContact O-N 2.59Å; P120-E122 VanDerWaalsContact C-N 3.27Å; P120-E122 PolarHBondContact O-N 3.02Å; E122-F124 WeakPolarHBondContact O-CD2 3.28Å; E122-F124 WeakPolarHBondContact O-CE2 3.43Å
123	I	98	Very high	96	Very high	43 Å²	43	61.8 Å²	61.8	22%	0.221	33%	0.33	C	S	.	.			trans	-97.3	125.8	-179.1	-62.5	166.3	0	0	0	109.5	W48 P118 A119 P120	W48-I123 HydrophobicContact CH2-CB 4.4Å; W48-I123 HydrophobicContact CH2-CD1 4Å; W48-I123 HydrophobicContact CH2-CG1 3.72Å; W48-I123 HydrophobicContact CH2-CG2 3.87Å; W48-I123 HydrophobicContact CZ2-CD1 3.57Å; W48-I123 HydrophobicContact CZ2-CG1 3.73Å; P118-I123 HydrophobicContact CB-CG1 4.17Å; A119-I123 WeakPolarHBondContact O-CG1 3.26Å; A119-I123 PolarHBondContact O-N 2.9Å; P120-I123 PolarHBondContact O-N 3.39Å
124	F	98.3	Very high	96.3	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	155	176.3	-56.6	-83.7	0	0	0	110.5	S60 I61 L98 A100 E122 F136 K137 L144	S60-F124 WeakPolarHBondContact CA-O 3.31Å; I61-F124 PolarHBondContact N-O 3.11Å; I61-F124 PolarHBondContact O-N 2.81Å; L98-F124 HydrophobicContact CB-CE2 3.93Å; L98-F124 HydrophobicContact CB-CZ 4.15Å; L98-F124 WeakPolarHBondContact O-CE2 3.3Å; A100-F124 HydrophobicContact CB-CE1 4.05Å; A100-F124 HydrophobicContact CB-CZ 4.42Å; E122-F124 WeakPolarHBondContact O-CD2 3.28Å; E122-F124 WeakPolarHBondContact O-CE2 3.43Å; F124-F136 HydrophobicContact CB-CB 4.32Å; F124-F136 HydrophobicContact CB-CD1 4.43Å; F124-K137 CarbonylContact C-O 3.48Å; F124-K137 VanDerWaalsContact CA-O 3.28Å; F124-K137 WeakPolarHBondContact CA-O 3.06Å; F124-L144 HydrophobicContact CD1-CD1 3.37Å; F124-L144 HydrophobicContact CD1-CD2 4.04Å; F124-L144 HydrophobicContact CD1-CG 4.33Å; F124-L144 HydrophobicContact CE1-CD1 3.61Å; F124-L144 HydrophobicContact CE1-CD2 3.8Å; F124-L144 HydrophobicContact CE1-CG 4.21Å; F124-L144 HydrophobicContact CG-CD1 4.4Å; F124-L144 HydrophobicContact CZ-CD2 4.29Å
125	T	98	Very high	96.5	Very high	63 Å²	63	47.3 Å²	47.3	39%	0.387	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	112.2	166.2	-52.5	0	0	0	0	109.3	D59 M127 F136 K137	D59-T125 CarbonylContact O-C 3.51Å; D59-T125 VanDerWaalsContact O-CA 3.28Å; D59-T125 WeakPolarHBondContact O-CA 3.21Å; T125-M127 HydrophobicContact CG2-CG 4.43Å; T125-F136 CarbonylContact O-C 3.59Å; T125-F136 WeakPolarHBondContact O-CA 3.31Å; T125-K137 PolarHBondContact N-O 3.37Å; T125-K137 PolarHBondContact O-N 3.4Å
126	A	98	Very high	96.8	Very high	4 Å²	4	45.7 Å²	45.7	3%	0.033	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	124.3	172.6	0	0	0	0	0	110.4	V57 D59 I61 A135 F136	V57-A126 HydrophobicContact CG1-CB 4.26Å; D59-A126 PolarHBondContact N-O 3.16Å; D59-A126 PolarHBondContact O-N 2.81Å; I61-A126 HydrophobicContact CB-CB 4.19Å; I61-A126 HydrophobicContact CG1-CB 3.68Å; A126-A135 WeakPolarHBondContact CA-O 3.39Å; A126-F136 HydrophobicContact CB-CD1 3.83Å; A126-F136 HydrophobicContact CB-CE1 3.74Å
127	M	96.9	Very high	97	Very high	63 Å²	63	45.9 Å²	45.9	31%	0.31	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126.2	177	-73.9	167.4	-78.8	0	0	109.4	T125 V129 V134 A135 K137 Y143	T125-M127 HydrophobicContact CG2-CG 4.43Å; M127-V129 PolarHBondContact O-N 3.25Å; M127-V134 CarbonylContact O-C 3.46Å; M127-V134 VanDerWaalsContact O-CA 3.26Å; M127-V134 WeakPolarHBondContact O-CA 3.28Å; M127-A135 PolarHBondContact N-O 3.37Å; M127-A135 PolarHBondContact O-N 3.38Å; M127-K137 HydrophobicContact CE-CB 3.63Å; M127-K137 HydrophobicContact CE-CD 4.19Å; M127-Y143 HydrophobicContact CE-CD1 4.23Å; M127-Y143 HydrophobicContact CE-CE1 3.31Å; M127-Y143 HydrophobicContact SD-CE1 4.4Å
128	Q	96.6	Very high	97.1	Very high	83 Å²	83	43.4 Å²	43.4	39%	0.388	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	123.9	174.4	-172.9	175.3	-0.2	0	0	109.9	F54 K58 S130	F54-Q128 HydrophobicContact CE1-CG 4.12Å; F54-Q128 HydrophobicContact CZ-CG 4.17Å; K58-Q128 VanDerWaalsContact CE-OE1 3.27Å; Q128-S130 WeakPolarHBondContact CG-O 3.19Å; Q128-S130 PolarHBondContact NE2-O 3.01Å
129	V	95.9	Very high	97.1	Very high	62 Å²	62	46 Å²	46	38%	0.376	27%	0.266	S	S	.	.			trans	-102.8	-34.5	179.4	-177.4	0	0	0	0	111.1	M127 K133 A135 V161 Q166	M127-V129 PolarHBondContact O-N 3.25Å; V129-K133 HydrophobicContact CB-CB 4.49Å; V129-K133 PolarHBondContact N-O 3.28Å; V129-A135 HydrophobicContact CG2-CB 3.68Å; V129-V161 HydrophobicContact CG2-CG1 4.05Å; V129-Q166 HydrophobicContact CB-CG 4.43Å; V129-Q166 HydrophobicContact CG1-CG 3.99Å; V129-Q166 HydrophobicContact CG2-CG 4.4Å
130	S	94.8	Very high	97	Very high	45 Å²	45	51.1 Å²	51.1	32%	0.315	28%	0.283	S	S	.	.	S	Bend	trans	-145.2	-172.8	172.8	74.2	0	0	0	0	110.4	Q128 T132 K133	Q128-S130 WeakPolarHBondContact CG-O 3.19Å; Q128-S130 PolarHBondContact NE2-O 3.01Å; S130-T132 PolarHBondContact O-N 3.2Å; S130-T132 PolarHBondContact OG-N 3.41Å; S130-K133 PolarHBondContact N-O 2.9Å; S130-K133 VanDerWaalsContact OG-CB 3.31Å; S130-K133 WeakPolarHBondContact OG-CB 3.26Å; S130-K133 PolarHBondContact OG-N 3.33Å
131	D	94.5	Very high	97	Very high	141 Å²	141	47.9 Å²	47.9	75%	0.754	27%	0.268	S	S	*	.	S	Bend	trans	-63.4	-20.4	176	-60.7	-22.6	0	0	0	113.5	F54	F54-D131 WeakPolarHBondContact CD1-O 3.39Å; F54-D131 WeakPolarHBondContact CE1-O 3.21Å
132	T	95.7	Very high	97	Very high	63 Å²	63	49.5 Å²	49.5	39%	0.387	27%	0.271	S	S	.	.	S	Bend	trans	-126.6	-9.7	-178.9	71.6	0	0	0	0	114.3	F54 S130 E168	F54-T132 WeakPolarHBondContact CE2-O 3.22Å; F54-T132 VanDerWaalsContact CZ-C 3.48Å; S130-T132 PolarHBondContact O-N 3.2Å; S130-T132 PolarHBondContact OG-N 3.41Å; T132-E168 VanDerWaalsContact CB-OE1 3.27Å; T132-E168 WeakPolarHBondContact CB-OE1 3.5Å; T132-E168 WeakPolarHBondContact O-CG 3.47Å; T132-E168 PolarHBondContact OG1-OE1 3.48Å; T132-E168 VanDerWaalsContact OG1-OE1 3.12Å
133	K	97.2	Very high	97	Very high	76 Å²	76	51.1 Å²	51.1	33%	0.33	28%	0.278	S	S	.	.			trans	-113.5	142.5	-174.8	-61.4	179.3	-179.7	177.8	0	112.6	V129 S130 Q166 F167	V129-K133 HydrophobicContact CB-CB 4.49Å; V129-K133 PolarHBondContact N-O 3.28Å; S130-K133 PolarHBondContact N-O 2.9Å; S130-K133 VanDerWaalsContact OG-CB 3.31Å; S130-K133 WeakPolarHBondContact OG-CB 3.26Å; S130-K133 PolarHBondContact OG-N 3.33Å; K133-Q166 HydrophobicContact CD-CB 4.19Å; K133-F167 CarbonylContact C-O 3.58Å; K133-F167 VanDerWaalsContact CA-O 3.22Å; K133-F167 WeakPolarHBondContact CA-O 3.47Å
134	V	98.1	Very high	97	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	153.6	172.2	-56.1	0	0	0	0	110.2	F54 M127 F136 F167 P169	F54-V134 HydrophobicContact CD2-CG1 4.45Å; F54-V134 HydrophobicContact CE2-CG1 3.53Å; F54-V134 HydrophobicContact CZ-CG1 3.77Å; M127-V134 CarbonylContact O-C 3.46Å; M127-V134 VanDerWaalsContact O-CA 3.26Å; M127-V134 WeakPolarHBondContact O-CA 3.28Å; V134-F136 HydrophobicContact CG2-CD2 4.3Å; V134-F136 HydrophobicContact CG2-CE1 4.07Å; V134-F136 HydrophobicContact CG2-CE2 3.52Å; V134-F136 HydrophobicContact CG2-CZ 3.38Å; V134-F167 PolarHBondContact N-O 3Å; V134-F167 PolarHBondContact O-N 3.22Å; V134-P169 HydrophobicContact CG1-CG 4.24Å; V134-P169 HydrophobicContact CG2-CG 3.6Å
135	A	98.3	Very high	97	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	143.2	164.5	0	0	0	0	0	108.8	A126 M127 V129 Y143 V161 E165	A126-A135 WeakPolarHBondContact CA-O 3.39Å; M127-A135 PolarHBondContact N-O 3.37Å; M127-A135 PolarHBondContact O-N 3.38Å; V129-A135 HydrophobicContact CG2-CB 3.68Å; A135-Y143 HydrophobicContact CB-CD1 4.34Å; A135-V161 HydrophobicContact CB-CB 4.33Å; A135-V161 HydrophobicContact CB-CG1 3.74Å; A135-V161 HydrophobicContact CB-CG2 3.56Å; A135-E165 WeakPolarHBondContact CA-O 3.42Å; A135-E165 WeakPolarHBondContact CB-O 3.34Å
136	F	98.4	Very high	97	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	136.4	176.2	-58.9	-79.3	0	0	0	109.8	V57 I61 I63 F124 T125 A126 V134 Y143 L144 F167 L178 F210	V57-F136 HydrophobicContact CG1-CE1 4.12Å; V57-F136 HydrophobicContact CG1-CZ 4.26Å; I61-F136 HydrophobicContact CG2-CE1 4.32Å; I63-F136 HydrophobicContact CD1-CD1 4.45Å; I63-F136 HydrophobicContact CD1-CD2 4.48Å; I63-F136 HydrophobicContact CD1-CE1 4.24Å; I63-F136 HydrophobicContact CD1-CE2 4.27Å; I63-F136 HydrophobicContact CD1-CZ 4.14Å; F124-F136 HydrophobicContact CB-CB 4.32Å; F124-F136 HydrophobicContact CB-CD1 4.43Å; T125-F136 CarbonylContact O-C 3.59Å; T125-F136 WeakPolarHBondContact O-CA 3.31Å; A126-F136 HydrophobicContact CB-CD1 3.83Å; A126-F136 HydrophobicContact CB-CE1 3.74Å; V134-F136 HydrophobicContact CG2-CD2 4.3Å; V134-F136 HydrophobicContact CG2-CE1 4.07Å; V134-F136 HydrophobicContact CG2-CE2 3.52Å; V134-F136 HydrophobicContact CG2-CZ 3.38Å; F136-Y143 WeakPolarHBondContact O-CA 3.43Å; F136-L144 HydrophobicContact CB-CB 4.19Å; F136-L144 HydrophobicContact CB-CD1 3.72Å; F136-L144 HydrophobicContact CB-CD2 4.18Å; F136-L144 HydrophobicContact CB-CG 4.23Å; F136-L144 VanDerWaalsContact O-CD1 3.29Å; F136-L144 WeakPolarHBondContact O-CD1 3.19Å; F136-L144 PolarHBondContact O-N 3.1Å; F136-F167 AromaticContact CD2-CD2 3.87Å; F136-F167 HydrophobicContact CD2-CD2 3.87Å; F136-F167 HydrophobicContact CD2-CE2 4.38Å; F136-F167 HydrophobicContact CD2-CG 4.45Å; F136-F167 HydrophobicContact CE2-CB 4.23Å; F136-F167 HydrophobicContact CE2-CD2 4.23Å; F136-F167 HydrophobicContact CE2-CG 4.4Å; F136-L178 HydrophobicContact CE2-CD1 3.89Å; F136-L178 HydrophobicContact CE2-CD2 4.01Å; F136-L178 HydrophobicContact CZ-CD1 4.28Å; F136-F210 HydrophobicContact CZ-CD1 4.44Å; F136-F210 HydrophobicContact CZ-CE1 4.01Å
137	K	98.2	Very high	96.8	Very high	70 Å²	70	48.3 Å²	48.3	30%	0.304	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.8	173.9	-172.5	177.1	-179.7	171.3	0	109.6	F124 T125 M127 G141 R142 Y143	F124-K137 CarbonylContact C-O 3.48Å; F124-K137 VanDerWaalsContact CA-O 3.28Å; F124-K137 WeakPolarHBondContact CA-O 3.06Å; T125-K137 PolarHBondContact N-O 3.37Å; T125-K137 PolarHBondContact O-N 3.4Å; M127-K137 HydrophobicContact CE-CB 3.63Å; M127-K137 HydrophobicContact CE-CD 4.19Å; K137-G141 VanDerWaalsContact CE-CA 3.48Å; K137-G141 VanDerWaalsContact CE-O 3.23Å; K137-G141 WeakPolarHBondContact CE-O 3.5Å; K137-R142 CarbonylContact C-O 3.57Å; K137-R142 WeakPolarHBondContact CA-O 3.27Å; K137-Y143 HydrophobicContact CB-CD1 4.17Å; K137-Y143 HydrophobicContact CB-CE1 4.13Å; K137-Y143 HydrophobicContact CD-CE1 4.39Å; K137-Y143 HydrophobicContact CD-CE2 4.39Å; K137-Y143 HydrophobicContact CG-CE1 4.48Å
138	S	97.9	Very high	96.4	Very high	6 Å²	6	50.5 Å²	50.5	4%	0.042	28%	0.282	C	S	.	.			trans	-71.3	162	176.4	70.5	0	0	0	0	111.9	Y140 G141 R142	S138-Y140 PolarHBondContact O-N 2.71Å; S138-Y140 VanDerWaalsContact O-N 3.12Å; S138-Y140 PolarHBondContact OG-N 3.29Å; S138-G141 PolarHBondContact O-N 2.9Å; S138-R142 PolarHBondContact N-O 3.37Å; S138-R142 PolarHBondContact OG-N 2.98Å; S138-R142 PolarHBondContact OG-O 2.9Å
139	G	95.1	Very high	95.9	Very high	62 Å²	62	53.6 Å²	53.6	64%	0.639	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-20.1	171.1	0	0	0	0	0	114.2	G141	G139-G141 VanDerWaalsContact C-N 3.26Å; G139-G141 PolarHBondContact O-N 3.36Å
140	Y	96.4	Very high	95.2	Very high	118 Å²	118	56.9 Å²	56.9	46%	0.463	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	3.5	175.4	-60	-79.1	0	0	0	113.7	A100 D102 S138	A100-Y140 HydrophobicContact CB-CD2 3.99Å; A100-Y140 HydrophobicContact CB-CE2 4.15Å; A100-Y140 VanDerWaalsContact O-CE2 3.32Å; A100-Y140 WeakPolarHBondContact O-CE2 3.16Å; D102-Y140 HydrophobicContact CB-CD1 4.14Å; D102-Y140 HydrophobicContact CB-CE1 3.81Å; S138-Y140 PolarHBondContact O-N 2.71Å; S138-Y140 VanDerWaalsContact O-N 3.12Å; S138-Y140 PolarHBondContact OG-N 3.29Å
141	G	95.7	Very high	94.8	Very high	33 Å²	33	57.1 Å²	57.1	34%	0.34	32%	0.318	S	S	.	.	S	Bend	trans	82.9	11	174.4	0	0	0	0	0	115	K137 S138 G139	K137-G141 VanDerWaalsContact CE-CA 3.48Å; K137-G141 VanDerWaalsContact CE-O 3.23Å; K137-G141 WeakPolarHBondContact CE-O 3.5Å; S138-G141 PolarHBondContact O-N 2.9Å; G139-G141 VanDerWaalsContact C-N 3.26Å; G139-G141 PolarHBondContact O-N 3.36Å
142	R	97.7	Very high	94.7	Very high	106 Å²	106	51 Å²	51	40%	0.4	29%	0.286	S	S	.	.			trans	-105.5	149.5	178.3	-58	-59.7	-175.2	111.5	0.8	111.5	K137 S138 A156 T157 A158 D159	K137-R142 CarbonylContact C-O 3.57Å; K137-R142 WeakPolarHBondContact CA-O 3.27Å; S138-R142 PolarHBondContact N-O 3.37Å; S138-R142 PolarHBondContact OG-N 2.98Å; S138-R142 PolarHBondContact OG-O 2.9Å; R142-A156 HydrophobicContact CB-CB 4.44Å; R142-A156 WeakPolarHBondContact CB-O 3.38Å; R142-A156 WeakPolarHBondContact CG-O 3.4Å; R142-T157 PolarHBondContact NH1-O 3.06Å; R142-A158 CarbonylContact C-O 3.58Å; R142-A158 WeakPolarHBondContact CA-O 3.3Å; R142-D159 WeakPolarHBondContact CD-OD1 3.38Å; R142-D159 IonicContact CZ-OD1 3.4Å; R142-D159 IonicContact NE-OD1 3.47Å; R142-D159 PolarHBondContact NE-OD1 3.06Å; R142-D159 IonicContact NH1-OD1 3.25Å; R142-D159 PolarHBondContact NH1-OD1 3.5Å
143	Y	98.2	Very high	94.7	Very high	33 Å²	33	50.1 Å²	50.1	13%	0.129	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	139.1	176.2	-69.2	-89	0	0	0	111	M127 A135 F136 K137 A156 T157 A158 D159 V161	M127-Y143 HydrophobicContact CE-CD1 4.23Å; M127-Y143 HydrophobicContact CE-CE1 3.31Å; M127-Y143 HydrophobicContact SD-CE1 4.4Å; A135-Y143 HydrophobicContact CB-CD1 4.34Å; F136-Y143 WeakPolarHBondContact O-CA 3.43Å; K137-Y143 HydrophobicContact CB-CD1 4.17Å; K137-Y143 HydrophobicContact CB-CE1 4.13Å; K137-Y143 HydrophobicContact CD-CE1 4.39Å; K137-Y143 HydrophobicContact CD-CE2 4.39Å; K137-Y143 HydrophobicContact CG-CE1 4.48Å; Y143-A156 CarbonylContact O-C 3.55Å; Y143-A156 WeakPolarHBondContact O-CA 3.28Å; Y143-T157 PolarHBondContact O-N 2.8Å; Y143-A158 PolarHBondContact N-O 2.55Å; Y143-A158 PolarHBondContact O-N 2.88Å; Y143-D159 WeakPolarHBondContact CE2-O 3.2Å; Y143-V161 HydrophobicContact CD1-CG2 3.39Å; Y143-V161 HydrophobicContact CE1-CG2 3.18Å; Y143-V161 HydrophobicContact CE2-CG2 4.47Å; Y143-V161 HydrophobicContact CG-CG2 4.09Å
144	L	98.1	Very high	94.7	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.01	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	136.8	172.1	-76.1	78.5	0	0	0	108.1	F124 F136 L154 G155 A156 E165 F167	F124-L144 HydrophobicContact CD1-CD1 3.37Å; F124-L144 HydrophobicContact CD1-CD2 4.04Å; F124-L144 HydrophobicContact CD1-CG 4.33Å; F124-L144 HydrophobicContact CE1-CD1 3.61Å; F124-L144 HydrophobicContact CE1-CD2 3.8Å; F124-L144 HydrophobicContact CE1-CG 4.21Å; F124-L144 HydrophobicContact CG-CD1 4.4Å; F124-L144 HydrophobicContact CZ-CD2 4.29Å; F136-L144 HydrophobicContact CB-CB 4.19Å; F136-L144 HydrophobicContact CB-CD1 3.72Å; F136-L144 HydrophobicContact CB-CD2 4.18Å; F136-L144 HydrophobicContact CB-CG 4.23Å; F136-L144 VanDerWaalsContact O-CD1 3.29Å; F136-L144 WeakPolarHBondContact O-CD1 3.19Å; F136-L144 PolarHBondContact O-N 3.1Å; L144-L154 HydrophobicContact CB-CD1 4.11Å; L144-L154 HydrophobicContact CD2-CD1 4.41Å; L144-L154 HydrophobicContact CD2-CD2 4.19Å; L144-L154 HydrophobicContact CD2-CG 4.49Å; L144-G155 CarbonylContact C-O 3.59Å; L144-G155 VanDerWaalsContact CA-O 3.26Å; L144-G155 WeakPolarHBondContact CA-O 3.45Å; L144-A156 HydrophobicContact CD1-CB 4.45Å; L144-A156 HydrophobicContact CG-CB 4.34Å; L144-E165 WeakPolarHBondContact O-CA 3.49Å; L144-E165 VanDerWaalsContact O-CB 3.27Å; L144-E165 WeakPolarHBondContact O-CB 3.29Å; L144-E165 WeakPolarHBondContact O-CG 3.31Å; L144-F167 HydrophobicContact CB-CE2 4.11Å; L144-F167 HydrophobicContact CB-CZ 4.33Å; L144-F167 VanDerWaalsContact O-CE2 3.3Å; L144-F167 WeakPolarHBondContact O-CE2 3.39Å
145	G	97.7	Very high	94.7	Very high	8 Å²	8	47.4 Å²	47.4	8%	0.082	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	149.3	-179.7	0	0	0	0	0	112	G155 F164	G145-G155 PolarHBondContact N-O 3.45Å; G145-G155 PolarHBondContact O-N 2.74Å; G145-F164 VanDerWaalsContact CA-O 3.28Å; G145-F164 WeakPolarHBondContact CA-O 3.14Å
146	V	97	Very high	94.6	Very high	6 Å²	6	47.5 Å²	47.5	4%	0.036	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	123.6	174.3	-173.7	0	0	0	0	109.2	T148 A152 F164 F167 F197	V146-T148 PolarHBondContact O-N 3.3Å; V146-A152 HydrophobicContact CG1-CB 4.12Å; V146-F164 PolarHBondContact N-O 3.27Å; V146-F167 HydrophobicContact CG2-CE1 3.61Å; V146-F167 HydrophobicContact CG2-CZ 4.21Å; V146-F197 HydrophobicContact CG1-CB 4.2Å; V146-F197 HydrophobicContact CG1-CD2 4.38Å; V146-F197 HydrophobicContact CG1-CG 4.5Å; V146-F197 HydrophobicContact CG2-CD1 4.48Å; V146-F197 HydrophobicContact CG2-CD2 3.73Å; V146-F197 HydrophobicContact CG2-CE2 4Å; V146-F197 HydrophobicContact CG2-CG 3.99Å; V146-F197 HydrophobicContact CG2-CZ 4.45Å
147	S	93.7	Very high	94.5	Very high	36 Å²	36	51.7 Å²	51.7	25%	0.252	30%	0.299	S	S	.	.			trans	-53.4	132.9	173.5	171.1	0	0	0	0	111	K149 D151 I153	S147-K149 PolarHBondContact O-N 3.28Å; S147-K149 WeakPolarHBondContact OG-CB 3.43Å; S147-K149 PolarHBondContact OG-N 3.14Å; S147-D151 WeakPolarHBondContact CB-OD1 3.3Å; S147-D151 PolarHBondContact OG-OD1 2.63Å; S147-I153 WeakPolarHBondContact CB-O 3.28Å; S147-I153 PolarHBondContact N-O 2.7Å
148	T	88.6	Confident	94.4	Very high	108 Å²	108	49.3 Å²	49.3	66%	0.663	29%	0.292	S	S	*	.	S	Bend	trans	-76.9	-5.3	175	64	0	0	0	0	113	V146 F164	V146-T148 PolarHBondContact O-N 3.3Å; T148-F164 HydrophobicContact CG2-CD1 4.21Å; T148-F164 HydrophobicContact CG2-CD2 3.82Å; T148-F164 HydrophobicContact CG2-CE1 3.99Å; T148-F164 HydrophobicContact CG2-CE2 3.56Å; T148-F164 HydrophobicContact CG2-CG 4.15Å; T148-F164 HydrophobicContact CG2-CZ 3.66Å
149	K	87.1	Confident	94.4	Very high	148 Å²	148	55 Å²	55	64%	0.643	32%	0.322	S	S	*	.	S	Bend	trans	-73.4	166.3	174.2	-59.1	175.9	-176.3	171.6	0	109.4	S147 D151 A152	S147-K149 PolarHBondContact O-N 3.28Å; S147-K149 WeakPolarHBondContact OG-CB 3.43Å; S147-K149 PolarHBondContact OG-N 3.14Å; K149-D151 WeakPolarHBondContact CB-OD1 3.34Å; K149-D151 PolarHBondContact O-N 2.87Å; K149-A152 PolarHBondContact O-N 2.69Å
150	S	80.8	Confident	94.5	Very high	132 Å²	132	55.1 Å²	55.1	92%	0.923	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-15.1	-178.8	54.8	0	0	0	0	114.6
151	D	86.4	Confident	94.5	Very high	50 Å²	50	52 Å²	52	27%	0.267	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-23.4	-179.2	56.4	20.8	0	0	0	113.5	S147 K149 I153 K198	S147-D151 WeakPolarHBondContact CB-OD1 3.3Å; S147-D151 PolarHBondContact OG-OD1 2.63Å; K149-D151 WeakPolarHBondContact CB-OD1 3.34Å; K149-D151 PolarHBondContact O-N 2.87Å; D151-I153 HydrophobicContact CB-CD1 3.75Å; D151-I153 HydrophobicContact CB-CG1 3.78Å; D151-I153 PolarHBondContact O-N 2.88Å; D151-I153 PolarHBondContact OD1-N 2.84Å; D151-K198 VanDerWaalsContact O-CE 3.32Å; D151-K198 WeakPolarHBondContact O-CE 3.35Å
152	A	92.7	Very high	94.5	Very high	11 Å²	11	51.9 Å²	51.9	9%	0.091	31%	0.309	C	S	.	.			trans	49.2	35.6	-176.1	0	0	0	0	0	113.3	V146 K149 V196 F197	V146-A152 HydrophobicContact CG1-CB 4.12Å; K149-A152 PolarHBondContact O-N 2.69Å; A152-V196 WeakPolarHBondContact O-CA 3.42Å; A152-F197 HydrophobicContact CB-CB 4.48Å; A152-F197 PolarHBondContact O-N 2.77Å
153	I	96	Very high	94.4	Very high	45 Å²	45	51.8 Å²	51.8	23%	0.231	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-70.4	140.9	178.9	-66.4	168.1	0	0	0	110.1	S147 D151 D194 I195 V196	S147-I153 WeakPolarHBondContact CB-O 3.28Å; S147-I153 PolarHBondContact N-O 2.7Å; D151-I153 HydrophobicContact CB-CD1 3.75Å; D151-I153 HydrophobicContact CB-CG1 3.78Å; D151-I153 PolarHBondContact O-N 2.88Å; D151-I153 PolarHBondContact OD1-N 2.84Å; I153-D194 HydrophobicContact CG1-CB 4.41Å; I153-I195 CarbonylContact C-O 3.52Å; I153-I195 WeakPolarHBondContact CA-O 3.4Å; I153-V196 HydrophobicContact CG1-CG1 3.9Å
154	L	97.4	Very high	94.4	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.016	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	122.5	171.5	-176.2	60.1	0	0	0	110.1	L98 V106 L144 F167 L186 I195 F197	L98-L154 HydrophobicContact CD1-CD2 4.11Å; V106-L154 HydrophobicContact CB-CD2 4.37Å; V106-L154 HydrophobicContact CB-CG 4.26Å; V106-L154 HydrophobicContact CG1-CD2 4.03Å; V106-L154 HydrophobicContact CG1-CG 4.47Å; V106-L154 HydrophobicContact CG2-CG 4.21Å; L144-L154 HydrophobicContact CB-CD1 4.11Å; L144-L154 HydrophobicContact CD2-CD1 4.41Å; L144-L154 HydrophobicContact CD2-CD2 4.19Å; L144-L154 HydrophobicContact CD2-CG 4.49Å; L154-F167 HydrophobicContact CD1-CE1 4.08Å; L154-F167 HydrophobicContact CD1-CZ 3.76Å; L154-L186 HydrophobicContact CD2-CD1 3.82Å; L154-I195 HydrophobicContact CB-CB 4.1Å; L154-I195 HydrophobicContact CB-CG2 3.85Å; L154-I195 HydrophobicContact CD2-CB 4.41Å; L154-I195 HydrophobicContact CD2-CG2 3.62Å; L154-I195 HydrophobicContact CG-CG2 4.41Å; L154-I195 PolarHBondContact N-O 3.27Å; L154-F197 HydrophobicContact CB-CE2 4.14Å; L154-F197 HydrophobicContact CD1-CE2 3.95Å; L154-F197 HydrophobicContact CD2-CE2 4.28Å; L154-F197 HydrophobicContact CG-CE2 4.35Å
155	G	96.7	Very high	94.4	Very high	18 Å²	18	55.9 Å²	55.9	19%	0.186	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	162.3	173	0	0	0	0	0	111.4	L144 G145	L144-G155 CarbonylContact C-O 3.59Å; L144-G155 VanDerWaalsContact CA-O 3.26Å; L144-G155 WeakPolarHBondContact CA-O 3.45Å; G145-G155 PolarHBondContact N-O 3.45Å; G145-G155 PolarHBondContact O-N 2.74Å
156	A	97.1	Very high	94.4	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.008	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	66.9	174.7	0	0	0	0	0	109.9	G104 V106 R142 Y143 L144	G104-A156 WeakPolarHBondContact CA-O 3.44Å; G104-A156 PolarHBondContact O-N 3.2Å; V106-A156 HydrophobicContact CG2-CB 4.01Å; R142-A156 HydrophobicContact CB-CB 4.44Å; R142-A156 WeakPolarHBondContact CB-O 3.38Å; R142-A156 WeakPolarHBondContact CG-O 3.4Å; Y143-A156 CarbonylContact O-C 3.55Å; Y143-A156 WeakPolarHBondContact O-CA 3.28Å; L144-A156 HydrophobicContact CD1-CB 4.45Å; L144-A156 HydrophobicContact CG-CB 4.34Å
157	T	96.3	Very high	94.4	Very high	90 Å²	90	57.4 Å²	57.4	55%	0.552	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.4	-18.1	-173.6	56.3	0	0	0	0	114	R142 Y143	R142-T157 PolarHBondContact NH1-O 3.06Å; Y143-T157 PolarHBondContact O-N 2.8Å
158	A	96.4	Very high	94.6	Very high	20 Å²	20	58.6 Å²	58.6	17%	0.165	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	140.8	-173.5	0	0	0	0	0	112.4	R142 Y143 E165	R142-A158 CarbonylContact C-O 3.58Å; R142-A158 WeakPolarHBondContact CA-O 3.3Å; Y143-A158 PolarHBondContact N-O 2.55Å; Y143-A158 PolarHBondContact O-N 2.88Å; A158-E165 HydrophobicContact CB-CG 3.69Å
159	D	96.8	Very high	95.1	Very high	124 Å²	124	53.8 Å²	53.8	66%	0.663	32%	0.316	S	S	*	.	S	Bend	trans	-85.9	-16.6	177.2	-65.6	-33.9	0	0	0	112.8	R142 Y143	R142-D159 WeakPolarHBondContact CD-OD1 3.38Å; R142-D159 IonicContact CZ-OD1 3.4Å; R142-D159 IonicContact NE-OD1 3.47Å; R142-D159 PolarHBondContact NE-OD1 3.06Å; R142-D159 IonicContact NH1-OD1 3.25Å; R142-D159 PolarHBondContact NH1-OD1 3.5Å; Y143-D159 WeakPolarHBondContact CE2-O 3.2Å
160	A	96.7	Very high	95.5	Very high	66 Å²	66	49.5 Å²	49.5	55%	0.545	30%	0.299	S	S	.	.	S	Bend	trans	-144.1	161.5	-178.4	0	0	0	0	0	111.3	G162	A160-G162 PolarHBondContact O-N 2.76Å
161	V	97.3	Very high	96.3	Very high	53 Å²	53	45.9 Å²	45.9	32%	0.321	27%	0.267	S	S	.	.			trans	-78.2	107.4	176.1	-176.4	0	0	0	0	109.8	V129 A135 Y143 E165 Q166	V129-V161 HydrophobicContact CG2-CG1 4.05Å; A135-V161 HydrophobicContact CB-CB 4.33Å; A135-V161 HydrophobicContact CB-CG1 3.74Å; A135-V161 HydrophobicContact CB-CG2 3.56Å; Y143-V161 HydrophobicContact CD1-CG2 3.39Å; Y143-V161 HydrophobicContact CE1-CG2 3.18Å; Y143-V161 HydrophobicContact CE2-CG2 4.47Å; Y143-V161 HydrophobicContact CG-CG2 4.09Å; V161-E165 HydrophobicContact CG1-CB 4.26Å; V161-Q166 HydrophobicContact CG1-CG 3.92Å
162	G	96.2	Very high	96.6	Very high	29 Å²	29	49.8 Å²	49.8	30%	0.299	28%	0.284	S	S	.	.			trans	-96.9	-158.1	167.5	0	0	0	0	0	112.2	A160 E165 Q166	A160-G162 PolarHBondContact O-N 2.76Å; G162-E165 WeakPolarHBondContact CA-OE2 2.93Å; G162-E165 PolarHBondContact N-OE2 3.09Å; G162-Q166 WeakPolarHBondContact O-CG 3.48Å; G162-Q166 PolarHBondContact O-NE2 3.25Å
163	V	96.2	Very high	96.5	Very high	105 Å²	105	56.1 Å²	56.1	64%	0.636	32%	0.316	S	S	*	.	S	Bend	trans	-73.7	-34.9	176	177.2	0	0	0	0	111.1	E165 Q166 A181	V163-E165 VanDerWaalsContact C-N 3.32Å; V163-Q166 PolarHBondContact O-N 3.46Å; V163-A181 WeakPolarHBondContact O-CB 3.3Å
164	F	96.6	Very high	96.2	Very high	91 Å²	91	58.3 Å²	58.3	40%	0.399	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-14.7	-177.3	-64.7	-72.2	0	0	0	113.6	G145 V146 T148 A181	G145-F164 VanDerWaalsContact CA-O 3.28Å; G145-F164 WeakPolarHBondContact CA-O 3.14Å; V146-F164 PolarHBondContact N-O 3.27Å; T148-F164 HydrophobicContact CG2-CD1 4.21Å; T148-F164 HydrophobicContact CG2-CD2 3.82Å; T148-F164 HydrophobicContact CG2-CE1 3.99Å; T148-F164 HydrophobicContact CG2-CE2 3.56Å; T148-F164 HydrophobicContact CG2-CG 4.15Å; T148-F164 HydrophobicContact CG2-CZ 3.66Å; F164-A181 HydrophobicContact CD1-CB 4.07Å
165	E	97.8	Very high	96	Very high	30 Å²	30	65.6 Å²	65.6	14%	0.14	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	1.7	176	-63.3	63.6	-133.5	0	0	113	A135 L144 A158 V161 G162 V163 F167	A135-E165 WeakPolarHBondContact CA-O 3.42Å; A135-E165 WeakPolarHBondContact CB-O 3.34Å; L144-E165 WeakPolarHBondContact O-CA 3.49Å; L144-E165 VanDerWaalsContact O-CB 3.27Å; L144-E165 WeakPolarHBondContact O-CB 3.29Å; L144-E165 WeakPolarHBondContact O-CG 3.31Å; A158-E165 HydrophobicContact CB-CG 3.69Å; V161-E165 HydrophobicContact CG1-CB 4.26Å; G162-E165 WeakPolarHBondContact CA-OE2 2.93Å; G162-E165 PolarHBondContact N-OE2 3.09Å; V163-E165 VanDerWaalsContact C-N 3.32Å; E165-F167 WeakPolarHBondContact O-CD2 3.33Å; E165-F167 WeakPolarHBondContact O-CE2 3.2Å
166	Q	97.8	Very high	96	Very high	44 Å²	44	65.2 Å²	65.2	21%	0.206	37%	0.371	C	S	.	.			trans	-96.6	127.7	174.5	-72.4	172.1	51.2	0	0	110.4	V129 K133 V161 G162 V163	V129-Q166 HydrophobicContact CB-CG 4.43Å; V129-Q166 HydrophobicContact CG1-CG 3.99Å; V129-Q166 HydrophobicContact CG2-CG 4.4Å; K133-Q166 HydrophobicContact CD-CB 4.19Å; V161-Q166 HydrophobicContact CG1-CG 3.92Å; G162-Q166 WeakPolarHBondContact O-CG 3.48Å; G162-Q166 PolarHBondContact O-NE2 3.25Å; V163-Q166 PolarHBondContact O-N 3.46Å
167	F	98.4	Very high	96	Very high	2 Å²	2	65.4 Å²	65.4	1%	0.009	37%	0.373	C	S	.	.	B	Isolated β-bridge	trans	-125.6	156.3	178.4	-53.9	-92.7	0	0	0	110.4	K133 V134 F136 L144 V146 L154 E165 L178 L179 F197	K133-F167 CarbonylContact C-O 3.58Å; K133-F167 VanDerWaalsContact CA-O 3.22Å; K133-F167 WeakPolarHBondContact CA-O 3.47Å; V134-F167 PolarHBondContact N-O 3Å; V134-F167 PolarHBondContact O-N 3.22Å; F136-F167 AromaticContact CD2-CD2 3.87Å; F136-F167 HydrophobicContact CD2-CD2 3.87Å; F136-F167 HydrophobicContact CD2-CE2 4.38Å; F136-F167 HydrophobicContact CD2-CG 4.45Å; F136-F167 HydrophobicContact CE2-CB 4.23Å; F136-F167 HydrophobicContact CE2-CD2 4.23Å; F136-F167 HydrophobicContact CE2-CG 4.4Å; L144-F167 HydrophobicContact CB-CE2 4.11Å; L144-F167 HydrophobicContact CB-CZ 4.33Å; L144-F167 VanDerWaalsContact O-CE2 3.3Å; L144-F167 WeakPolarHBondContact O-CE2 3.39Å; V146-F167 HydrophobicContact CG2-CE1 3.61Å; V146-F167 HydrophobicContact CG2-CZ 4.21Å; L154-F167 HydrophobicContact CD1-CE1 4.08Å; L154-F167 HydrophobicContact CD1-CZ 3.76Å; E165-F167 WeakPolarHBondContact O-CD2 3.33Å; E165-F167 WeakPolarHBondContact O-CE2 3.2Å; F167-L178 HydrophobicContact CB-CD1 3.63Å; F167-L178 HydrophobicContact CB-CD2 4.39Å; F167-L178 HydrophobicContact CB-CG 4.07Å; F167-L178 HydrophobicContact CD1-CD2 4.18Å; F167-L178 HydrophobicContact CD1-CG 4.32Å; F167-L178 HydrophobicContact CG-CD1 4.44Å; F167-L178 HydrophobicContact CG-CD2 4.35Å; F167-L178 HydrophobicContact CG-CG 4.46Å; F167-L179 CarbonylContact C-O 3.58Å; F167-L179 VanDerWaalsContact CA-O 3.28Å; F167-L179 WeakPolarHBondContact CA-O 3.29Å; F167-L179 WeakPolarHBondContact CB-O 3.35Å; F167-F197 AromaticContact CD1-CE1 3.99Å; F167-F197 HydrophobicContact CD1-CE1 3.99Å; F167-F197 HydrophobicContact CD1-CE2 4.48Å; F167-F197 AromaticContact CD1-CZ 3.65Å; F167-F197 HydrophobicContact CD1-CZ 3.65Å; F167-F197 HydrophobicContact CE1-CE1 4.15Å; F167-F197 AromaticContact CE1-CE2 3.86Å; F167-F197 HydrophobicContact CE1-CE2 3.86Å; F167-F197 AromaticContact CE1-CZ 3.46Å; F167-F197 HydrophobicContact CE1-CZ 3.46Å; F167-F197 VanDerWaalsContact CE1-CZ 3.46Å
168	E	97.9	Very high	96.1	Very high	60 Å²	60	61.3 Å²	61.3	28%	0.28	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	103	179.9	177.3	159.7	-153.1	0	0	109.3	T132 I170 L179	T132-E168 VanDerWaalsContact CB-OE1 3.27Å; T132-E168 WeakPolarHBondContact CB-OE1 3.5Å; T132-E168 WeakPolarHBondContact O-CG 3.47Å; T132-E168 PolarHBondContact OG1-OE1 3.48Å; T132-E168 VanDerWaalsContact OG1-OE1 3.12Å; E168-I170 HydrophobicContact CG-CG1 4.29Å; E168-I170 PolarHBondContact O-N 3.26Å; E168-L179 HydrophobicContact CB-CB 4.17Å; E168-L179 HydrophobicContact CB-CD2 4.41Å; E168-L179 PolarHBondContact N-O 3.26Å; E168-L179 WeakPolarHBondContact O-CB 3.46Å; E168-L179 PolarHBondContact O-N 3.03Å
169	P	97.8	Very high	96.2	Very high	8 Å²	8	61.4 Å²	61.4	5%	0.052	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	122.3	171.1	-20	33.7	0	0	0	109.9	F54 V57 V134 F171 L178 F210	F54-P169 HydrophobicContact CD2-CB 4.48Å; F54-P169 HydrophobicContact CD2-CG 4.28Å; F54-P169 HydrophobicContact CE2-CG 4.37Å; V57-P169 HydrophobicContact CG1-CG 4.32Å; V134-P169 HydrophobicContact CG1-CG 4.24Å; V134-P169 HydrophobicContact CG2-CG 3.6Å; P169-F171 HydrophobicContact CB-CE2 3.84Å; P169-F171 HydrophobicContact CB-CZ 4.42Å; P169-L178 HydrophobicContact CB-CD1 4.5Å; P169-L178 HydrophobicContact CG-CD1 4.09Å; P169-F210 HydrophobicContact CB-CE2 3.82Å; P169-F210 HydrophobicContact CB-CZ 3.86Å; P169-F210 HydrophobicContact CG-CZ 4.33Å
170	I	97.1	Very high	96.2	Very high	57 Å²	57	55.7 Å²	55.7	29%	0.292	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	128.2	179.6	-55.4	-168.4	0	0	0	108.6	E168 S176 A177 L179 F185	E168-I170 HydrophobicContact CG-CG1 4.29Å; E168-I170 PolarHBondContact O-N 3.26Å; I170-S176 CarbonylContact O-C 3.56Å; I170-S176 WeakPolarHBondContact O-CA 3.38Å; I170-A177 PolarHBondContact N-O 2.87Å; I170-A177 PolarHBondContact O-N 2.91Å; I170-L179 HydrophobicContact CD1-CB 4.11Å; I170-L179 HydrophobicContact CD1-CD2 4.32Å; I170-L179 HydrophobicContact CG1-CB 4.43Å; I170-F185 HydrophobicContact CD1-CE1 3.78Å; I170-F185 HydrophobicContact CD1-CZ 3.98Å; I170-F185 HydrophobicContact CG1-CE1 4.41Å
171	F	96.1	Very high	96	Very high	56 Å²	56	54.1 Å²	54.1	25%	0.246	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	120.8	176.1	-63.1	-90	0	0	0	109.2	A51 K52 F54 V57 P169 R175 F210	A51-F171 HydrophobicContact CB-CZ 4.49Å; A51-F171 WeakPolarHBondContact O-CE1 3.39Å; K52-F171 WeakPolarHBondContact O-CD1 3.26Å; F54-F171 HydrophobicContact CB-CE2 4.47Å; V57-F171 HydrophobicContact CG2-CE2 4.01Å; V57-F171 HydrophobicContact CG2-CZ 3.6Å; P169-F171 HydrophobicContact CB-CE2 3.84Å; P169-F171 HydrophobicContact CB-CZ 4.42Å; F171-R175 WeakPolarHBondContact CA-O 3.4Å; F171-F210 HydrophobicContact CE1-CD2 4.06Å; F171-F210 AromaticContact CZ-CD2 3.74Å; F171-F210 HydrophobicContact CZ-CD2 3.74Å; F171-F210 HydrophobicContact CZ-CE2 4.24Å
172	Q	93.7	Very high	95.9	Very high	133 Å²	133	54.4 Å²	54.4	62%	0.621	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.1	133.4	179.2	-170	-174.8	-26.9	0	0	110.2	G174 R175	Q172-G174 PolarHBondContact O-N 3.27Å; Q172-G174 VanDerWaalsContact O-N 3.11Å; Q172-R175 PolarHBondContact N-O 3.37Å; Q172-R175 PolarHBondContact O-N 2.9Å
173	D	91.1	Very high	95.9	Very high	143 Å²	143	58.5 Å²	58.5	77%	0.765	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	36.6	173.4	-56.2	-40.8	0	0	0	114.2	R175	D173-R175 VanDerWaalsContact C-N 3.26Å; D173-R175 PolarHBondContact O-N 3.46Å
174	G	89	Confident	95.9	Very high	91 Å²	91	54 Å²	54	94%	0.938	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	8.7	-179.3	0	0	0	0	0	115	Q172	Q172-G174 PolarHBondContact O-N 3.27Å; Q172-G174 VanDerWaalsContact O-N 3.11Å
175	R	93.5	Very high	95.9	Very high	157 Å²	157	50.8 Å²	50.8	59%	0.592	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	158.8	174.2	-57.5	-178.3	-171.3	175.7	1.8	110.2	F171 Q172 D173 M207	F171-R175 WeakPolarHBondContact CA-O 3.4Å; Q172-R175 PolarHBondContact N-O 3.37Å; Q172-R175 PolarHBondContact O-N 2.9Å; D173-R175 VanDerWaalsContact C-N 3.26Å; D173-R175 PolarHBondContact O-N 3.46Å; R175-M207 HydrophobicContact CB-SD 3.83Å; R175-M207 HydrophobicContact CG-SD 4.48Å
176	S	96.1	Very high	95.9	Very high	10 Å²	10	49.4 Å²	49.4	7%	0.07	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	148.3	174.9	43.7	0	0	0	0	112.3	I170 M207 V208	I170-S176 CarbonylContact O-C 3.56Å; I170-S176 WeakPolarHBondContact O-CA 3.38Å; S176-M207 WeakPolarHBondContact O-CA 3.37Å; S176-V208 CarbonylContact C-O 3.52Å; S176-V208 PolarHBondContact O-N 3.44Å; S176-V208 PolarHBondContact OG-O 3.3Å
177	A	97.3	Very high	95.7	Very high	5 Å²	5	48 Å²	48	4%	0.041	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	158.6	174.8	0	0	0	0	0	109.1	I170 F185 A202	I170-A177 PolarHBondContact N-O 2.87Å; I170-A177 PolarHBondContact O-N 2.91Å; A177-F185 HydrophobicContact CB-CD1 3.58Å; A177-F185 HydrophobicContact CB-CE1 3.78Å; A177-A202 HydrophobicContact CB-CB 3.89Å
178	L	98	Very high	95.4	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.016	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	116.5	176.9	-171.7	65.5	0	0	0	110.2	I63 F136 F167 P169 F185 L186 F197 V208 F210	I63-L178 HydrophobicContact CD1-CD2 4.34Å; F136-L178 HydrophobicContact CE2-CD1 3.89Å; F136-L178 HydrophobicContact CE2-CD2 4.01Å; F136-L178 HydrophobicContact CZ-CD1 4.28Å; F167-L178 HydrophobicContact CB-CD1 3.63Å; F167-L178 HydrophobicContact CB-CD2 4.39Å; F167-L178 HydrophobicContact CB-CG 4.07Å; F167-L178 HydrophobicContact CD1-CD2 4.18Å; F167-L178 HydrophobicContact CD1-CG 4.32Å; F167-L178 HydrophobicContact CG-CD1 4.44Å; F167-L178 HydrophobicContact CG-CD2 4.35Å; F167-L178 HydrophobicContact CG-CG 4.46Å; P169-L178 HydrophobicContact CB-CD1 4.5Å; P169-L178 HydrophobicContact CG-CD1 4.09Å; L178-F185 VanDerWaalsContact O-CA 3.31Å; L178-F185 WeakPolarHBondContact O-CA 3.42Å; L178-L186 HydrophobicContact CB-CB 4.11Å; L178-L186 HydrophobicContact CD2-CD1 3.97Å; L178-L186 PolarHBondContact O-N 3.32Å; L178-F197 HydrophobicContact CD2-CZ 4.14Å; L178-F197 HydrophobicContact CG-CE1 4.45Å; L178-F197 HydrophobicContact CG-CZ 4.45Å; L178-F197 WeakPolarHBondContact O-CE1 3.26Å; L178-V208 HydrophobicContact CB-CG2 4.36Å; L178-F210 HydrophobicContact CB-CZ 3.95Å; L178-F210 HydrophobicContact CD1-CE1 3.97Å; L178-F210 HydrophobicContact CD1-CZ 3.7Å; L178-F210 HydrophobicContact CG-CZ 4.33Å
179	L	97.9	Very high	95.1	Very high	23 Å²	23	47.5 Å²	47.5	12%	0.12	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	129.9	176	-171.7	78.5	0	0	0	110.2	F167 E168 I170 C184 F185	F167-L179 CarbonylContact C-O 3.58Å; F167-L179 VanDerWaalsContact CA-O 3.28Å; F167-L179 WeakPolarHBondContact CA-O 3.29Å; F167-L179 WeakPolarHBondContact CB-O 3.35Å; E168-L179 HydrophobicContact CB-CB 4.17Å; E168-L179 HydrophobicContact CB-CD2 4.41Å; E168-L179 PolarHBondContact N-O 3.26Å; E168-L179 WeakPolarHBondContact O-CB 3.46Å; E168-L179 PolarHBondContact O-N 3.03Å; I170-L179 HydrophobicContact CD1-CB 4.11Å; I170-L179 HydrophobicContact CD1-CD2 4.32Å; I170-L179 HydrophobicContact CG1-CB 4.43Å; L179-C184 WeakPolarHBondContact CA-O 3.31Å; L179-C184 WeakPolarHBondContact CD1-O 3.48Å; L179-F185 HydrophobicContact CB-CD1 4.35Å; L179-F185 HydrophobicContact CB-CE1 4.15Å; L179-F185 HydrophobicContact CD1-CD1 4.18Å; L179-F185 HydrophobicContact CD1-CD2 4.32Å; L179-F185 HydrophobicContact CD1-CE1 3.95Å; L179-F185 HydrophobicContact CD1-CE2 4.09Å; L179-F185 HydrophobicContact CD1-CG 4.38Å; L179-F185 HydrophobicContact CD1-CZ 3.9Å
180	G	97.1	Very high	94.5	Very high	4 Å²	4	52.7 Å²	52.7	4%	0.041	30%	0.302	C	S	.	.			trans	-91.7	171	176.6	0	0	0	0	0	113.2	N182 N183 C184 F197	G180-N182 PolarHBondContact O-N 2.7Å; G180-N183 PolarHBondContact O-N 2.92Å; G180-C184 PolarHBondContact N-O 3.49Å; G180-F197 VanDerWaalsContact N-CE1 3.33Å
181	A	94.1	Very high	94.1	Very high	33 Å²	33	57.1 Å²	57.1	27%	0.273	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-18.6	-179.9	0	0	0	0	0	114.9	V163 F164 N183	V163-A181 WeakPolarHBondContact O-CB 3.3Å; F164-A181 HydrophobicContact CD1-CB 4.07Å; A181-N183 VanDerWaalsContact C-N 3.35Å
182	N	94.1	Very high	93.7	Very high	58 Å²	58	58 Å²	58	31%	0.31	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	11	176.8	67.6	-15	0	0	0	113.9	G180 C184 F197	G180-N182 PolarHBondContact O-N 2.7Å; N182-C184 PolarHBondContact O-N 2.94Å; N182-C184 PolarHBondContact OD1-N 3.18Å; N182-F197 PolarHBondContact ND2-O 2.63Å
183	N	95.4	Very high	93.5	Very high	115 Å²	115	56.5 Å²	56.5	62%	0.615	33%	0.331	S	S	*	.	S	Bend	trans	59.5	28.3	-176.5	-58	-37.5	0	0	0	114.3	G180 A181	G180-N183 PolarHBondContact O-N 2.92Å; A181-N183 VanDerWaalsContact C-N 3.35Å
184	C	96.5	Very high	93.6	Very high	12 Å²	12	52.8 Å²	52.8	8%	0.081	31%	0.311	C	S	.	.			trans	-112.4	162.3	170.1	-66.9	0	0	0	0	110.1	L179 G180 N182 F197 K198 S199	L179-C184 WeakPolarHBondContact CA-O 3.31Å; L179-C184 WeakPolarHBondContact CD1-O 3.48Å; G180-C184 PolarHBondContact N-O 3.49Å; N182-C184 PolarHBondContact O-N 2.94Å; N182-C184 PolarHBondContact OD1-N 3.18Å; C184-F197 HydrophobicContact CB-CB 4.1Å; C184-F197 WeakPolarHBondContact CB-O 3.49Å; C184-F197 VanDerWaalsContact O-CD1 3.32Å; C184-F197 WeakPolarHBondContact O-CD1 3.34Å; C184-K198 PolarHBondContact SG-O 3.42Å; C184-S199 CarbonylContact C-O 3.55Å; C184-S199 VanDerWaalsContact CA-O 3.24Å; C184-S199 WeakPolarHBondContact CA-O 3.29Å; C184-S199 WeakPolarHBondContact CB-O 3.47Å
185	F	97.2	Very high	93.9	Very high	23 Å²	23	48.5 Å²	48.5	10%	0.101	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	147.8	176.9	-67.8	-80.3	0	0	0	111.5	I170 A177 L178 L179 F197 S199 Q200 A202 E206	I170-F185 HydrophobicContact CD1-CE1 3.78Å; I170-F185 HydrophobicContact CD1-CZ 3.98Å; I170-F185 HydrophobicContact CG1-CE1 4.41Å; A177-F185 HydrophobicContact CB-CD1 3.58Å; A177-F185 HydrophobicContact CB-CE1 3.78Å; L178-F185 VanDerWaalsContact O-CA 3.31Å; L178-F185 WeakPolarHBondContact O-CA 3.42Å; L179-F185 HydrophobicContact CB-CD1 4.35Å; L179-F185 HydrophobicContact CB-CE1 4.15Å; L179-F185 HydrophobicContact CD1-CD1 4.18Å; L179-F185 HydrophobicContact CD1-CD2 4.32Å; L179-F185 HydrophobicContact CD1-CE1 3.95Å; L179-F185 HydrophobicContact CD1-CE2 4.09Å; L179-F185 HydrophobicContact CD1-CG 4.38Å; L179-F185 HydrophobicContact CD1-CZ 3.9Å; F185-F197 WeakPolarHBondContact O-CA 3.39Å; F185-S199 PolarHBondContact N-O 3Å; F185-Q200 WeakPolarHBondContact CE2-O 2.99Å; F185-A202 HydrophobicContact CD1-CB 3.99Å; F185-A202 HydrophobicContact CD2-CB 3.89Å; F185-A202 VanDerWaalsContact CD2-N 3.31Å; F185-A202 HydrophobicContact CE1-CB 4.04Å; F185-A202 HydrophobicContact CE2-CB 3.95Å; F185-A202 HydrophobicContact CG-CB 3.9Å; F185-A202 HydrophobicContact CZ-CB 4.02Å; F185-E206 HydrophobicContact CB-CB 3.88Å; F185-E206 HydrophobicContact CB-CG 3.89Å
186	L	97	Very high	94	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	132.7	173.3	-173.3	144	0	0	0	110.6	V65 L98 L154 L178 I195 V196 F197 E206 V208	V65-L186 HydrophobicContact CG1-CD2 3.97Å; L98-L186 HydrophobicContact CD1-CD1 3.87Å; L154-L186 HydrophobicContact CD2-CD1 3.82Å; L178-L186 HydrophobicContact CB-CB 4.11Å; L178-L186 HydrophobicContact CD2-CD1 3.97Å; L178-L186 PolarHBondContact O-N 3.32Å; L186-I195 HydrophobicContact CD1-CG2 3.68Å; L186-I195 HydrophobicContact CD2-CG2 4.02Å; L186-I195 HydrophobicContact CG-CG2 3.7Å; L186-V196 CarbonylContact C-O 3.55Å; L186-V196 WeakPolarHBondContact CA-O 3.25Å; L186-F197 HydrophobicContact CB-CD1 4.3Å; L186-F197 HydrophobicContact CB-CE1 3.71Å; L186-F197 HydrophobicContact CB-CE2 4.19Å; L186-F197 HydrophobicContact CB-CZ 3.66Å; L186-F197 HydrophobicContact CD1-CE2 3.91Å; L186-F197 HydrophobicContact CD1-CZ 3.7Å; L186-F197 HydrophobicContact CG-CE2 4.23Å; L186-F197 HydrophobicContact CG-CZ 4.07Å; L186-E206 VanDerWaalsContact O-CA 3.26Å; L186-E206 WeakPolarHBondContact O-CA 3.39Å; L186-V208 HydrophobicContact CD2-CG1 3.84Å
187	S	94.7	Very high	94	Very high	14 Å²	14	40.7 Å²	40.7	10%	0.098	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	163.4	168	55.7	0	0	0	0	111.3	V196	S187-V196 PolarHBondContact N-O 2.82Å; S187-V196 PolarHBondContact O-N 3.25Å
188	A	92.4	Very high	93.8	Very high	26 Å²	26	45.5 Å²	45.5	22%	0.215	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	130.1	167.8	0	0	0	0	0	109.7	I108 I195	I108-A188 HydrophobicContact CD1-CB 3.73Å; A188-I195 HydrophobicContact CB-CD1 4.25Å
189	D	90.4	Very high	93.6	Very high	26 Å²	26	46.5 Å²	46.5	14%	0.139	26%	0.263	C	S	.	.			trans	-68.2	120.9	171.7	-166.1	-54.1	0	0	0	109	I191 T192 D193 D194 V196 K198	D189-I191 PolarHBondContact O-N 3.33Å; D189-I191 PolarHBondContact OD1-N 2.83Å; D189-T192 WeakPolarHBondContact CB-OG1 3.41Å; D189-D193 VanDerWaalsContact O-CA 3.27Å; D189-D193 WeakPolarHBondContact O-CA 3.35Å; D189-D193 PolarHBondContact O-N 3.13Å; D189-D194 PolarHBondContact N-O 3.25Å; D189-V196 HydrophobicContact CB-CG1 4.49Å; D189-V196 HydrophobicContact CB-CG2 4.28Å; D189-K198 IonicContact OD2-NZ 3.35Å; D189-K198 PolarHBondContact OD2-NZ 3.21Å
190	P	86.3	Confident	93.5	Very high	117 Å²	117	53 Å²	53	76%	0.76	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-9	-174.2	28.8	-36.7	0	0	0	114.2
191	I	87.4	Confident	93.4	Very high	150 Å²	150	59 Å²	59	77%	0.769	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-46	-179.3	-58.7	175.3	0	0	0	111.1	D189	D189-I191 PolarHBondContact O-N 3.33Å; D189-I191 PolarHBondContact OD1-N 2.83Å
192	T	89.1	Confident	93.3	Very high	73 Å²	73	59.2 Å²	59.2	45%	0.448	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-10.3	-173.9	63.2	0	0	0	0	113.8	D189 D194	D189-T192 WeakPolarHBondContact CB-OG1 3.41Å; T192-D194 WeakPolarHBondContact CB-OD2 3.48Å; T192-D194 PolarHBondContact O-N 3.16Å; T192-D194 VanDerWaalsContact O-N 3.14Å; T192-D194 WeakPolarHBondContact OG1-CB 3.44Å; T192-D194 PolarHBondContact OG1-N 3.21Å; T192-D194 PolarHBondContact OG1-OD2 3.2Å
193	D	88.1	Confident	93.3	Very high	103 Å²	103	62.2 Å²	62.2	55%	0.551	33%	0.332	S	S	*	.			trans	57.9	12.8	-168.8	-66.3	-32.5	0	0	0	113.9	D189	D189-D193 VanDerWaalsContact O-CA 3.27Å; D189-D193 WeakPolarHBondContact O-CA 3.35Å; D189-D193 PolarHBondContact O-N 3.13Å
194	D	93.1	Very high	93.1	Very high	65 Å²	65	61.8 Å²	61.8	35%	0.348	33%	0.333	S	S	.	.			trans	-70.3	143.7	175.1	-65.9	-44.4	0	0	0	110.6	I153 D189 T192 V196	I153-D194 HydrophobicContact CG1-CB 4.41Å; D189-D194 PolarHBondContact N-O 3.25Å; T192-D194 WeakPolarHBondContact CB-OD2 3.48Å; T192-D194 PolarHBondContact O-N 3.16Å; T192-D194 VanDerWaalsContact O-N 3.14Å; T192-D194 WeakPolarHBondContact OG1-CB 3.44Å; T192-D194 PolarHBondContact OG1-N 3.21Å; T192-D194 PolarHBondContact OG1-OD2 3.2Å; D194-V196 HydrophobicContact CB-CG1 4.14Å
195	I	95.6	Very high	92.8	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	119.3	173.3	-55.2	-59.2	0	0	0	109.4	L98 I108 I153 L154 L186 A188	L98-I195 HydrophobicContact CD2-CD1 3.63Å; L98-I195 HydrophobicContact CD2-CG1 3.7Å; L98-I195 HydrophobicContact CD2-CG2 4.26Å; I108-I195 HydrophobicContact CD1-CD1 3.95Å; I108-I195 HydrophobicContact CG1-CD1 3.61Å; I108-I195 HydrophobicContact CG1-CG1 4.47Å; I153-I195 CarbonylContact C-O 3.52Å; I153-I195 WeakPolarHBondContact CA-O 3.4Å; L154-I195 HydrophobicContact CB-CB 4.1Å; L154-I195 HydrophobicContact CB-CG2 3.85Å; L154-I195 HydrophobicContact CD2-CB 4.41Å; L154-I195 HydrophobicContact CD2-CG2 3.62Å; L154-I195 HydrophobicContact CG-CG2 4.41Å; L154-I195 PolarHBondContact N-O 3.27Å; L186-I195 HydrophobicContact CD1-CG2 3.68Å; L186-I195 HydrophobicContact CD2-CG2 4.02Å; L186-I195 HydrophobicContact CG-CG2 3.7Å; A188-I195 HydrophobicContact CB-CD1 4.25Å
196	V	95.6	Very high	92.7	Very high	3 Å²	3	65.8 Å²	65.8	2%	0.018	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	157.2	-169.8	-64.1	0	0	0	0	112.3	A152 I153 L186 S187 D189 D194 K198	A152-V196 WeakPolarHBondContact O-CA 3.42Å; I153-V196 HydrophobicContact CG1-CG1 3.9Å; L186-V196 CarbonylContact C-O 3.55Å; L186-V196 WeakPolarHBondContact CA-O 3.25Å; S187-V196 PolarHBondContact N-O 2.82Å; S187-V196 PolarHBondContact O-N 3.25Å; D189-V196 HydrophobicContact CB-CG1 4.49Å; D189-V196 HydrophobicContact CB-CG2 4.28Å; D194-V196 HydrophobicContact CB-CG1 4.14Å; V196-K198 HydrophobicContact CB-CD 4.21Å; V196-K198 HydrophobicContact CB-CG 4.09Å; V196-K198 HydrophobicContact CG2-CD 3.93Å; V196-K198 HydrophobicContact CG2-CG 4.05Å
197	F	96.4	Very high	92.6	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	75.9	173	-74.7	-98.5	0	0	0	110.3	V146 A152 L154 F167 L178 G180 N182 C184 F185 L186	V146-F197 HydrophobicContact CG1-CB 4.2Å; V146-F197 HydrophobicContact CG1-CD2 4.38Å; V146-F197 HydrophobicContact CG1-CG 4.5Å; V146-F197 HydrophobicContact CG2-CD1 4.48Å; V146-F197 HydrophobicContact CG2-CD2 3.73Å; V146-F197 HydrophobicContact CG2-CE2 4Å; V146-F197 HydrophobicContact CG2-CG 3.99Å; V146-F197 HydrophobicContact CG2-CZ 4.45Å; A152-F197 HydrophobicContact CB-CB 4.48Å; A152-F197 PolarHBondContact O-N 2.77Å; L154-F197 HydrophobicContact CB-CE2 4.14Å; L154-F197 HydrophobicContact CD1-CE2 3.95Å; L154-F197 HydrophobicContact CD2-CE2 4.28Å; L154-F197 HydrophobicContact CG-CE2 4.35Å; F167-F197 AromaticContact CD1-CE1 3.99Å; F167-F197 HydrophobicContact CD1-CE1 3.99Å; F167-F197 HydrophobicContact CD1-CE2 4.48Å; F167-F197 AromaticContact CD1-CZ 3.65Å; F167-F197 HydrophobicContact CD1-CZ 3.65Å; F167-F197 HydrophobicContact CE1-CE1 4.15Å; F167-F197 AromaticContact CE1-CE2 3.86Å; F167-F197 HydrophobicContact CE1-CE2 3.86Å; F167-F197 AromaticContact CE1-CZ 3.46Å; F167-F197 HydrophobicContact CE1-CZ 3.46Å; F167-F197 VanDerWaalsContact CE1-CZ 3.46Å; L178-F197 HydrophobicContact CD2-CZ 4.14Å; L178-F197 HydrophobicContact CG-CE1 4.45Å; L178-F197 HydrophobicContact CG-CZ 4.45Å; L178-F197 WeakPolarHBondContact O-CE1 3.26Å; G180-F197 VanDerWaalsContact N-CE1 3.33Å; N182-F197 PolarHBondContact ND2-O 2.63Å; C184-F197 HydrophobicContact CB-CB 4.1Å; C184-F197 WeakPolarHBondContact CB-O 3.49Å; C184-F197 VanDerWaalsContact O-CD1 3.32Å; C184-F197 WeakPolarHBondContact O-CD1 3.34Å; F185-F197 WeakPolarHBondContact O-CA 3.39Å; L186-F197 HydrophobicContact CB-CD1 4.3Å; L186-F197 HydrophobicContact CB-CE1 3.71Å; L186-F197 HydrophobicContact CB-CE2 4.19Å; L186-F197 HydrophobicContact CB-CZ 3.66Å; L186-F197 HydrophobicContact CD1-CE2 3.91Å; L186-F197 HydrophobicContact CD1-CZ 3.7Å; L186-F197 HydrophobicContact CG-CE2 4.23Å; L186-F197 HydrophobicContact CG-CZ 4.07Å
198	K	94	Very high	92.7	Very high	107 Å²	107	66.6 Å²	66.6	47%	0.465	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-32.2	-173.5	-70.1	177.4	-171.9	169	0	114.9	D151 C184 D189 V196	D151-K198 VanDerWaalsContact O-CE 3.32Å; D151-K198 WeakPolarHBondContact O-CE 3.35Å; C184-K198 PolarHBondContact SG-O 3.42Å; D189-K198 IonicContact OD2-NZ 3.35Å; D189-K198 PolarHBondContact OD2-NZ 3.21Å; V196-K198 HydrophobicContact CB-CD 4.21Å; V196-K198 HydrophobicContact CB-CG 4.09Å; V196-K198 HydrophobicContact CG2-CD 3.93Å; V196-K198 HydrophobicContact CG2-CG 4.05Å
199	S	94.3	Very high	92.8	Very high	24 Å²	24	66.6 Å²	66.6	17%	0.168	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	128	-174.1	-175	0	0	0	0	111.7	C184 F185 Q201 E206	C184-S199 CarbonylContact C-O 3.55Å; C184-S199 VanDerWaalsContact CA-O 3.24Å; C184-S199 WeakPolarHBondContact CA-O 3.29Å; C184-S199 WeakPolarHBondContact CB-O 3.47Å; F185-S199 PolarHBondContact N-O 3Å; S199-Q201 PolarHBondContact O-N 3.43Å; S199-Q201 PolarHBondContact OG-N 3.4Å; S199-Q201 PolarHBondContact OG-O 3.46Å; S199-E206 WeakPolarHBondContact CB-OE1 3.41Å
200	Q	95	Very high	93.2	Very high	158 Å²	158	65.3 Å²	65.3	74%	0.738	35%	0.346	S	S	*	.	S	Bend	trans	-76.4	-9.2	172.8	-67.1	179.9	11	0	0	113.3	F185	F185-Q200 WeakPolarHBondContact CE2-O 2.99Å
201	Q	94.8	Very high	93.6	Very high	131 Å²	131	60 Å²	60	61%	0.612	31%	0.311	S	S	*	.	S	Bend	trans	-123	128.5	179.8	-68	-176.5	-12.8	0	0	109.9	S199 K203	S199-Q201 PolarHBondContact O-N 3.43Å; S199-Q201 PolarHBondContact OG-N 3.4Å; S199-Q201 PolarHBondContact OG-O 3.46Å; Q201-K203 PolarHBondContact O-N 2.84Å
202	A	93.1	Very high	94	Very high	37 Å²	37	52.8 Å²	52.8	31%	0.306	27%	0.274	S	S	.	.			trans	-75.2	102.8	173.9	0	0	0	0	0	109.8	A177 F185 E206 M207	A177-A202 HydrophobicContact CB-CB 3.89Å; F185-A202 HydrophobicContact CD1-CB 3.99Å; F185-A202 HydrophobicContact CD2-CB 3.89Å; F185-A202 VanDerWaalsContact CD2-N 3.31Å; F185-A202 HydrophobicContact CE1-CB 4.04Å; F185-A202 HydrophobicContact CE2-CB 3.95Å; F185-A202 HydrophobicContact CG-CB 3.9Å; F185-A202 HydrophobicContact CZ-CB 4.02Å; A202-E206 HydrophobicContact CB-CB 4.22Å; A202-M207 HydrophobicContact CB-CE 4.04Å; A202-M207 WeakPolarHBondContact O-CE 3.45Å
203	K	92.4	Very high	94.1	Very high	122 Å²	122	52.9 Å²	52.9	53%	0.53	27%	0.272	S	S	.	.			trans	-100.1	-164.8	170	-52.2	170	-175.8	167	0	107.9	Q201 N205 E206 M207	Q201-K203 PolarHBondContact O-N 2.84Å; K203-N205 VanDerWaalsContact C-N 3.27Å; K203-N205 PolarHBondContact O-N 3.03Å; K203-E206 WeakPolarHBondContact CA-OE2 3.33Å; K203-E206 WeakPolarHBondContact CB-OE2 3.48Å; K203-E206 PolarHBondContact N-OE2 3.15Å; K203-E206 PolarHBondContact O-N 3.34Å; K203-M207 VanDerWaalsContact O-CE 3.3Å; K203-M207 WeakPolarHBondContact O-CE 3.43Å; K203-M207 WeakPolarHBondContact O-CG 3.32Å
204	T	91.6	Very high	94.2	Very high	105 Å²	105	52.7 Å²	52.7	64%	0.644	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-58.9	-35	-176.4	-46.4	0	0	0	0	113.5
205	N	91.3	Very high	93.8	Very high	103 Å²	103	54.5 Å²	54.5	55%	0.551	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-81.7	-16.6	-175.9	-65.7	-0.2	0	0	0	113.2	K203	K203-N205 VanDerWaalsContact C-N 3.27Å; K203-N205 PolarHBondContact O-N 3.03Å
206	E	93.9	Very high	93	Very high	17 Å²	17	57.4 Å²	57.4	8%	0.079	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-93.4	-3	179.2	-65.4	74.2	-169.7	0	0	112.7	F185 L186 S199 A202 K203	F185-E206 HydrophobicContact CB-CB 3.88Å; F185-E206 HydrophobicContact CB-CG 3.89Å; L186-E206 VanDerWaalsContact O-CA 3.26Å; L186-E206 WeakPolarHBondContact O-CA 3.39Å; S199-E206 WeakPolarHBondContact CB-OE1 3.41Å; A202-E206 HydrophobicContact CB-CB 4.22Å; K203-E206 WeakPolarHBondContact CA-OE2 3.33Å; K203-E206 WeakPolarHBondContact CB-OE2 3.48Å; K203-E206 PolarHBondContact N-OE2 3.15Å; K203-E206 PolarHBondContact O-N 3.34Å
207	M	94.8	Very high	92.1	Very high	29 Å²	29	62.1 Å²	62.1	14%	0.143	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	138	177.1	-60.3	-62.8	159.8	0	0	109.7	Y66 R175 S176 A202 K203	Y66-M207 HydrophobicContact CD2-CB 4.01Å; Y66-M207 WeakPolarHBondContact CD2-O 3.41Å; Y66-M207 HydrophobicContact CE2-CB 3.96Å; R175-M207 HydrophobicContact CB-SD 3.83Å; R175-M207 HydrophobicContact CG-SD 4.48Å; S176-M207 WeakPolarHBondContact O-CA 3.37Å; A202-M207 HydrophobicContact CB-CE 4.04Å; A202-M207 WeakPolarHBondContact O-CE 3.45Å; K203-M207 VanDerWaalsContact O-CE 3.3Å; K203-M207 WeakPolarHBondContact O-CE 3.43Å; K203-M207 WeakPolarHBondContact O-CG 3.32Å
208	V	96.2	Very high	90.9	Very high	2 Å²	2	67 Å²	67	1%	0.012	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	160.6	175.5	-58.6	0	0	0	0	109.4	I63 Q64 V65 S176 L178 L186 F210	I63-V208 HydrophobicContact CG2-CB 4.06Å; I63-V208 HydrophobicContact CG2-CG1 4.28Å; I63-V208 HydrophobicContact CG2-CG2 4.43Å; Q64-V208 CarbonylContact O-C 3.46Å; Q64-V208 VanDerWaalsContact O-CA 3.28Å; Q64-V208 WeakPolarHBondContact O-CA 3.43Å; Q64-V208 WeakPolarHBondContact O-CB 3Å; V65-V208 HydrophobicContact CG1-CG1 4.24Å; S176-V208 CarbonylContact C-O 3.52Å; S176-V208 PolarHBondContact O-N 3.44Å; S176-V208 PolarHBondContact OG-O 3.3Å; L178-V208 HydrophobicContact CB-CG2 4.36Å; L186-V208 HydrophobicContact CD2-CG1 3.84Å; V208-F210 HydrophobicContact CG2-CD2 4.46Å; V208-F210 HydrophobicContact CG2-CE1 4.32Å; V208-F210 HydrophobicContact CG2-CE2 3.82Å; V208-F210 HydrophobicContact CG2-CZ 3.73Å
209	I	96.2	Very high	89.9	Confident	26 Å²	26	65.5 Å²	65.5	13%	0.133	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	119.7	168.1	-54.1	175.5	0	0	0	108.2	Q64 Y66 R211	Q64-I209 HydrophobicContact CB-CB 4.06Å; Q64-I209 PolarHBondContact N-O 3.4Å; Q64-I209 PolarHBondContact O-N 2.86Å; Y66-I209 WeakPolarHBondContact OH-CD1 3.42Å; I209-R211 HydrophobicContact CG2-CG 4.1Å; I209-R211 PolarHBondContact O-N 3.41Å
210	F	97.1	Very high	89.1	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	119.5	167.9	-57.3	-78.5	0	0	0	108.2	S50 A51 V57 I61 I63 F136 P169 F171 L178 V208	S50-F210 WeakPolarHBondContact CA-O 3.39Å; A51-F210 HydrophobicContact CB-CB 4.1Å; A51-F210 PolarHBondContact N-O 2.86Å; V57-F210 HydrophobicContact CG1-CD1 4.23Å; V57-F210 HydrophobicContact CG1-CG 4.46Å; V57-F210 HydrophobicContact CG2-CB 4.19Å; V57-F210 HydrophobicContact CG2-CD2 4.39Å; V57-F210 HydrophobicContact CG2-CG 4.18Å; I61-F210 HydrophobicContact CG2-CB 4.37Å; I61-F210 HydrophobicContact CG2-CD1 4.28Å; I63-F210 HydrophobicContact CD1-CE1 4.24Å; I63-F210 HydrophobicContact CG1-CD1 4.01Å; I63-F210 HydrophobicContact CG1-CE1 4.16Å; F136-F210 HydrophobicContact CZ-CD1 4.44Å; F136-F210 HydrophobicContact CZ-CE1 4.01Å; P169-F210 HydrophobicContact CB-CE2 3.82Å; P169-F210 HydrophobicContact CB-CZ 3.86Å; P169-F210 HydrophobicContact CG-CZ 4.33Å; F171-F210 HydrophobicContact CE1-CD2 4.06Å; F171-F210 AromaticContact CZ-CD2 3.74Å; F171-F210 HydrophobicContact CZ-CD2 3.74Å; F171-F210 HydrophobicContact CZ-CE2 4.24Å; L178-F210 HydrophobicContact CB-CZ 3.95Å; L178-F210 HydrophobicContact CD1-CE1 3.97Å; L178-F210 HydrophobicContact CD1-CZ 3.7Å; L178-F210 HydrophobicContact CG-CZ 4.33Å; V208-F210 HydrophobicContact CG2-CD2 4.46Å; V208-F210 HydrophobicContact CG2-CE1 4.32Å; V208-F210 HydrophobicContact CG2-CE2 3.82Å; V208-F210 HydrophobicContact CG2-CZ 3.73Å
211	R	96.5	Very high	88.3	Confident	4 Å²	4	64.5 Å²	64.5	2%	0.015	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	133.7	175	-62.7	-160.7	176.7	-81.6	-17.4	110.7	E41 H45 W48 W49 I61 A62 Q64 Y97 I209	E41-R211 IonicContact OE1-CZ 3.51Å; E41-R211 IonicContact OE1-NH1 3.42Å; E41-R211 PolarHBondContact OE1-NH1 2.77Å; E41-R211 IonicContact OE1-NH2 2.73Å; E41-R211 PolarHBondContact OE1-NH2 2.74Å; H45-R211 PolarHBondContact CD2-NH1 3.49Å; H45-R211 VanDerWaalsContact CE1-CZ 3.41Å; H45-R211 PolarHBondContact CE1-NH2 2.87Å; H45-R211 VanDerWaalsContact CG-CZ 3.48Å; H45-R211 PolarHBondContact ND1-NE 3.31Å; H45-R211 PolarHBondContact NE2-NH1 3.46Å; H45-R211 PolarHBondContact NE2-NH2 3.49Å; W48-R211 HydrophobicContact CB-CB 4.11Å; W48-R211 HydrophobicContact CE3-CB 4.17Å; W48-R211 PolarHBondContact O-NH1 3.41Å; W49-R211 CarbonylContact O-C 3.46Å; W49-R211 WeakPolarHBondContact O-CA 3.16Å; I61-R211 CarbonylContact C-O 3.52Å; I61-R211 VanDerWaalsContact CA-O 3.29Å; I61-R211 WeakPolarHBondContact CA-O 3.41Å; A62-R211 PolarHBondContact N-O 2.97Å; A62-R211 PolarHBondContact O-N 2.95Å; Q64-R211 VanDerWaalsContact OE1-CZ 3.23Å; Y97-R211 HydrophobicContact CE1-CG 4.29Å; Y97-R211 WeakPolarHBondContact OH-CD 3.18Å; Y97-R211 PolarHBondContact OH-NE 2.84Å; I209-R211 HydrophobicContact CG2-CG 4.1Å; I209-R211 PolarHBondContact O-N 3.41Å
212	S	95.2	Very high	87.4	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	148.8	175.1	-173.5	0	0	0	0	110.5	W48 W49 K214	W48-S212 CarbonylContact C-O 3.52Å; W48-S212 WeakPolarHBondContact CA-O 3.4Å; W49-S212 PolarHBondContact N-O 3.35Å; W49-S212 PolarHBondContact NE1-O 3.1Å; W49-S212 PolarHBondContact O-N 2.74Å; S212-K214 WeakPolarHBondContact OG-CB 3.16Å; S212-K214 PolarHBondContact OG-N 2.9Å; S212-K214 VanDerWaalsContact OG-N 3.14Å
213	N	92	Very high	86.9	Confident	74 Å²	74	66.9 Å²	66.9	40%	0.396	35%	0.354	S	S	.	.			trans	-104.9	11.7	169.6	70.5	-11.6	0	0	0	112.5	W48 S60	W48-N213 HydrophobicContact CD2-CB 3.76Å; W48-N213 HydrophobicContact CE3-CB 3.95Å; W48-N213 HydrophobicContact CG-CB 4.32Å; W48-N213 HydrophobicContact CH2-CB 4.06Å; W48-N213 HydrophobicContact CZ2-CB 3.87Å; W48-N213 HydrophobicContact CZ3-CB 4.09Å; S60-N213 WeakPolarHBondContact CB-OD1 3.48Å
214	K	89.4	Confident	86.4	Confident	99 Å²	99	63.1 Å²	63.1	43%	0.43	34%	0.339	S	S	.	.	S	Bend	trans	-60.2	137.7	177.5	-179.9	176	-177.6	174.8	0	109.7	W49 S212 L216	W49-K214 HydrophobicContact CZ2-CB 3.92Å; W49-K214 PolarHBondContact NE1-O 2.79Å; S212-K214 WeakPolarHBondContact OG-CB 3.16Å; S212-K214 PolarHBondContact OG-N 2.9Å; S212-K214 VanDerWaalsContact OG-N 3.14Å; K214-L216 PolarHBondContact O-N 3.27Å
215	P	84.4	Confident	86.1	Confident	104 Å²	104	61 Å²	61	68%	0.675	33%	0.327	S	S	*	.			trans	-56.9	116.2	-178.8	-26.6	34.7	0	0	0	112.1	I217	P215-I217 VanDerWaalsContact C-N 3.28Å; P215-I217 PolarHBondContact O-N 2.93Å
216	L	79.8	Confident	85.8	Confident	61 Å²	61	63 Å²	63	32%	0.319	33%	0.333	S	S	.	.	S	Bend	trans	-66.7	-32.8	175.8	-74.6	174.2	0	0	0	112.6	R38 I39 W49 K214	R38-L216 HydrophobicContact CB-CD1 4.39Å; R38-L216 HydrophobicContact CG-CD1 3.84Å; R38-L216 HydrophobicContact CG-CD2 4.26Å; I39-L216 HydrophobicContact CG1-CD1 4.35Å; W49-L216 HydrophobicContact CB-CD1 4.09Å; W49-L216 VanDerWaalsContact CD1-CG 3.47Å; W49-L216 HydrophobicContact CD2-CD2 3.63Å; W49-L216 HydrophobicContact CD2-CG 4.17Å; W49-L216 HydrophobicContact CE3-CD2 4.33Å; W49-L216 HydrophobicContact CG-CD1 3.83Å; W49-L216 HydrophobicContact CG-CD2 3.82Å; W49-L216 HydrophobicContact CG-CG 3.87Å; W49-L216 HydrophobicContact CH2-CD2 4.37Å; W49-L216 HydrophobicContact CZ2-CD2 3.72Å; W49-L216 HydrophobicContact CZ2-CG 4.46Å; K214-L216 PolarHBondContact O-N 3.27Å
217	I	75.1	Confident	85.5	Confident	101 Å²	101	63.3 Å²	63.3	52%	0.518	34%	0.335	S	S	.	.	S	Bend	trans	-113.4	108.4	-179.3	-57.8	172.6	0	0	0	106.1	V33 I39 P215 D219	V33-I217 HydrophobicContact CB-CD1 4.48Å; V33-I217 HydrophobicContact CG1-CD1 3.5Å; V33-I217 VanDerWaalsContact CG1-CD1 3.5Å; V33-I217 HydrophobicContact CG2-CD1 4.13Å; I39-I217 HydrophobicContact CD1-CD1 4.06Å; P215-I217 VanDerWaalsContact C-N 3.28Å; P215-I217 PolarHBondContact O-N 2.93Å; I217-D219 PolarHBondContact O-N 3.12Å
218	H	71	Confident	85.1	Confident	104 Å²	104	63 Å²	63	48%	0.481	33%	0.333	S	S	.	.			trans	-74.3	120	167.2	-175.1	49.6	0	0	0	108.2	P220 D223	H218-P220 VanDerWaalsContact O-CD 3.23Å; H218-P220 WeakPolarHBondContact O-CD 3.36Å; H218-D223 IonicContact CD2-OD2 2.81Å; H218-D223 IonicContact CE1-OD1 2.68Å; H218-D223 PolarHBondContact CE1-OD1 2.96Å; H218-D223 IonicContact CE1-OD2 2.92Å; H218-D223 IonicContact NE2-OD1 3.65Å; H218-D223 PolarHBondContact NE2-OD1 3.04Å; H218-D223 IonicContact NE2-OD2 3.11Å; H218-D223 PolarHBondContact NE2-OD2 3.32Å
219	D	74.7	Confident	84.7	Confident	74 Å²	74	67.4 Å²	67.4	40%	0.396	35%	0.349	S	S	.	.			trans	-79.9	111.3	169.5	-177.8	-4.8	0	0	0	107.7	I217 L221 L222	I217-D219 PolarHBondContact O-N 3.12Å; D219-L221 PolarHBondContact O-N 3.19Å; D219-L221 VanDerWaalsContact OD1-CB 3.26Å; D219-L221 WeakPolarHBondContact OD1-CB 3.37Å; D219-L221 VanDerWaalsContact OD1-CG 3.3Å; D219-L221 WeakPolarHBondContact OD1-CG 3.36Å; D219-L221 PolarHBondContact OD1-N 2.89Å; D219-L222 HydrophobicContact CB-CD1 4.25Å; D219-L222 HydrophobicContact CB-CG 4.15Å; D219-L222 WeakPolarHBondContact O-CB 3.44Å; D219-L222 PolarHBondContact O-N 2.97Å
220	P	75.6	Confident	84	Confident	86 Å²	86	71.9 Å²	71.9	56%	0.558	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-59.9	-16.8	-179.1	-21.6	34.3	0	0	0	113	H218 L222 D223	H218-P220 VanDerWaalsContact O-CD 3.23Å; H218-P220 WeakPolarHBondContact O-CD 3.36Å; P220-L222 PolarHBondContact O-N 2.68Å; P220-D223 PolarHBondContact O-N 2.96Å
221	L	78.6	Confident	83.4	Confident	76 Å²	76	73.5 Å²	73.5	40%	0.398	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-66.4	-24.4	173	-61.5	176.2	0	0	0	112.4	D219 D223 I224 R229	D219-L221 PolarHBondContact O-N 3.19Å; D219-L221 VanDerWaalsContact OD1-CB 3.26Å; D219-L221 WeakPolarHBondContact OD1-CB 3.37Å; D219-L221 VanDerWaalsContact OD1-CG 3.3Å; D219-L221 WeakPolarHBondContact OD1-CG 3.36Å; D219-L221 PolarHBondContact OD1-N 2.89Å; L221-D223 VanDerWaalsContact C-N 3.27Å; L221-D223 PolarHBondContact O-N 2.91Å; L221-I224 HydrophobicContact CD2-CD1 4.3Å; L221-I224 PolarHBondContact O-N 3.45Å; L221-I224 VanDerWaalsContact O-N 3.15Å; L221-I224 VanDerWaalsContact O-O 3.08Å; L221-R229 HydrophobicContact CB-CG 4.33Å; L221-R229 WeakPolarHBondContact O-CD 3.23Å; L221-R229 PolarHBondContact O-NE 3.05Å
222	L	77.5	Confident	83	Confident	102 Å²	102	75.4 Å²	75.4	53%	0.534	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-67.7	-28.2	178	-66.7	176.8	0	0	0	112.5	D219 P220 I224	D219-L222 HydrophobicContact CB-CD1 4.25Å; D219-L222 HydrophobicContact CB-CG 4.15Å; D219-L222 WeakPolarHBondContact O-CB 3.44Å; D219-L222 PolarHBondContact O-N 2.97Å; P220-L222 PolarHBondContact O-N 2.68Å; L222-I224 PolarHBondContact O-N 3.29Å
223	D	80.8	Confident	82.4	Confident	116 Å²	116	82.7 Å²	82.7	62%	0.62	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-73.7	-12.1	174.7	-59.2	-27.3	0	0	0	112.9	H218 P220 L221	H218-D223 IonicContact CD2-OD2 2.81Å; H218-D223 IonicContact CE1-OD1 2.68Å; H218-D223 PolarHBondContact CE1-OD1 2.96Å; H218-D223 IonicContact CE1-OD2 2.92Å; H218-D223 IonicContact NE2-OD1 3.65Å; H218-D223 PolarHBondContact NE2-OD1 3.04Å; H218-D223 IonicContact NE2-OD2 3.11Å; H218-D223 PolarHBondContact NE2-OD2 3.32Å; P220-D223 PolarHBondContact O-N 2.96Å; L221-D223 VanDerWaalsContact C-N 3.27Å; L221-D223 PolarHBondContact O-N 2.91Å
224	I	82.8	Confident	82.3	Confident	43 Å²	43	84.1 Å²	84.1	22%	0.221	43%	0.431	C	S	.	.	S	Bend	trans	-101	133.3	-178.5	-56.5	173.1	0	0	0	108.2	L221 L222 E226 E228 R229	L221-I224 HydrophobicContact CD2-CD1 4.3Å; L221-I224 PolarHBondContact O-N 3.45Å; L221-I224 VanDerWaalsContact O-N 3.15Å; L221-I224 VanDerWaalsContact O-O 3.08Å; L222-I224 PolarHBondContact O-N 3.29Å; I224-E226 PolarHBondContact O-N 3.02Å; I224-E228 HydrophobicContact CG2-CB 3.43Å; I224-E228 VanDerWaalsContact CG2-CB 3.43Å; I224-R229 HydrophobicContact CB-CG 4.25Å; I224-R229 HydrophobicContact CG2-CG 4.26Å; I224-R229 PolarHBondContact O-NE 3.46Å; I224-R229 PolarHBondContact O-NH2 2.89Å
225	P	85.3	Confident	82.2	Confident	60 Å²	60	79.4 Å²	79.4	39%	0.39	41%	0.411	S	S	.	.			trans	-48.5	139.1	171.5	-27.9	34.9	0	0	0	111.1	E227 E228 R229	P225-E227 PolarHBondContact O-N 3.12Å; P225-E228 PolarHBondContact O-N 3.47Å; P225-R229 PolarHBondContact O-N 3.13Å
226	E	85.9	Confident	82.5	Confident	144 Å²	144	75.3 Å²	75.3	67%	0.673	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-51.4	-38.2	-173	-171.4	-176.4	168	0	0	112.2	I224 E228 R229	I224-E226 PolarHBondContact O-N 3.02Å; E226-E228 VanDerWaalsContact C-N 3.25Å; E226-E228 PolarHBondContact O-N 2.83Å; E226-R229 PolarHBondContact O-N 3Å
227	E	86.5	Confident	83	Confident	25 Å²	25	74.1 Å²	74.1	12%	0.117	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-62	-31.9	179.7	-61.7	79.8	-176.8	0	0	112.8	P225 A235 N238 Y239 K242	P225-E227 PolarHBondContact O-N 3.12Å; E227-A235 VanDerWaalsContact O-CA 3.26Å; E227-A235 WeakPolarHBondContact O-CA 3.49Å; E227-N238 HydrophobicContact CB-CB 3.8Å; E227-N238 HydrophobicContact CG-CB 4.07Å; E227-N238 PolarHBondContact O-ND2 2.8Å; E227-Y239 HydrophobicContact CB-CD1 4.05Å; E227-Y239 HydrophobicContact CB-CD2 4.01Å; E227-Y239 HydrophobicContact CB-CE1 3.9Å; E227-Y239 HydrophobicContact CB-CE2 3.88Å; E227-Y239 HydrophobicContact CB-CG 4.14Å; E227-Y239 HydrophobicContact CG-CD1 3.86Å; E227-Y239 HydrophobicContact CG-CE1 3.88Å; E227-Y239 HydrophobicContact CG-CG 4.31Å; E227-K242 HydrophobicContact CG-CD 4.45Å; E227-K242 WeakPolarHBondContact OE1-CD 3.26Å; E227-K242 WeakPolarHBondContact OE1-CE 3.3Å; E227-K242 IonicContact OE1-NZ 3.39Å; E227-K242 PolarHBondContact OE1-NZ 3.46Å
228	E	87.3	Confident	83.7	Confident	22 Å²	22	71 Å²	71	10%	0.103	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-90.3	-14.9	-173.2	-72.4	178.3	-144.2	0	0	114.2	I224 P225 E226 E230 G231 A235 Y239 R265 L270	I224-E228 HydrophobicContact CG2-CB 3.43Å; I224-E228 VanDerWaalsContact CG2-CB 3.43Å; P225-E228 PolarHBondContact O-N 3.47Å; E226-E228 VanDerWaalsContact C-N 3.25Å; E226-E228 PolarHBondContact O-N 2.83Å; E228-E230 PolarHBondContact O-N 3.16Å; E228-E230 VanDerWaalsContact O-N 3.15Å; E228-G231 PolarHBondContact O-N 3.46Å; E228-G231 VanDerWaalsContact O-N 3.08Å; E228-A235 HydrophobicContact CB-CB 4.43Å; E228-A235 HydrophobicContact CG-CB 3.92Å; E228-Y239 HydrophobicContact CG-CE2 3.72Å; E228-Y239 PolarHBondContact OE1-OH 2.97Å; E228-R265 IonicContact OE2-NH1 3.77Å; E228-R265 PolarHBondContact OE2-NH1 2.82Å; E228-L270 HydrophobicContact CG-CD2 4.26Å; E228-L270 WeakPolarHBondContact OE2-CD2 3.14Å
229	R	86	Confident	84.6	Confident	94 Å²	94	66.4 Å²	66.4	36%	0.355	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.7	-173.3	-65.6	178.3	-176.2	176.5	-1.4	114.1	L221 I224 P225 E226 G231	L221-R229 HydrophobicContact CB-CG 4.33Å; L221-R229 WeakPolarHBondContact O-CD 3.23Å; L221-R229 PolarHBondContact O-NE 3.05Å; I224-R229 HydrophobicContact CB-CG 4.25Å; I224-R229 HydrophobicContact CG2-CG 4.26Å; I224-R229 PolarHBondContact O-NE 3.46Å; I224-R229 PolarHBondContact O-NH2 2.89Å; P225-R229 PolarHBondContact O-N 3.13Å; E226-R229 PolarHBondContact O-N 3Å; R229-G231 VanDerWaalsContact C-N 3.32Å
230	E	82.5	Confident	85.3	Confident	120 Å²	120	63 Å²	63	56%	0.561	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	12.5	-178.4	-51.1	-167.9	169.4	0	0	113.8	E228 K234	E228-E230 PolarHBondContact O-N 3.16Å; E228-E230 VanDerWaalsContact O-N 3.15Å; E230-K234 HydrophobicContact CB-CB 3.97Å; E230-K234 HydrophobicContact CB-CD 3.39Å; E230-K234 HydrophobicContact CB-CG 4.36Å; E230-K234 HydrophobicContact CG-CD 4.38Å; E230-K234 WeakPolarHBondContact OE2-CD 3.29Å; E230-K234 WeakPolarHBondContact OE2-CE 3.4Å; E230-K234 IonicContact OE2-NZ 3.53Å; E230-K234 PolarHBondContact OE2-NZ 2.95Å
231	G	85.3	Confident	85.9	Confident	35 Å²	35	65.4 Å²	65.4	36%	0.361	32%	0.32	S	S	.	.			trans	91.4	162.2	176.7	0	0	0	0	0	114.3	E228 R229 K233 K234 A235	E228-G231 PolarHBondContact O-N 3.46Å; E228-G231 VanDerWaalsContact O-N 3.08Å; R229-G231 VanDerWaalsContact C-N 3.32Å; G231-K233 VanDerWaalsContact C-N 3.31Å; G231-K233 PolarHBondContact O-N 3.19Å; G231-K233 VanDerWaalsContact O-N 3.09Å; G231-K234 PolarHBondContact O-N 3.28Å; G231-A235 PolarHBondContact O-N 2.85Å
232	L	86.3	Confident	86.3	Confident	44 Å²	44	66.9 Å²	66.9	23%	0.23	32%	0.324	C	S	.	.	H	α-helix	trans	-54.5	-37.6	-165.9	-64.4	174.5	0	0	0	115.4	K234 A235 E236 F258 K262 R265 L270	L232-K234 VanDerWaalsContact C-N 3.29Å; L232-K234 PolarHBondContact O-N 3.38Å; L232-A235 WeakPolarHBondContact O-CB 3.41Å; L232-A235 PolarHBondContact O-N 3.11Å; L232-E236 PolarHBondContact O-N 2.92Å; L232-F258 HydrophobicContact CB-CE1 4.22Å; L232-F258 HydrophobicContact CB-CE2 4.45Å; L232-F258 HydrophobicContact CB-CZ 3.53Å; L232-K262 HydrophobicContact CD1-CG 4.04Å; L232-R265 HydrophobicContact CD1-CB 4.1Å; L232-R265 HydrophobicContact CD1-CG 4.35Å; L232-R265 HydrophobicContact CD2-CB 3.82Å; L232-R265 HydrophobicContact CD2-CG 3.89Å; L232-L270 HydrophobicContact CD2-CD1 4.07Å; L232-L270 HydrophobicContact CD2-CD2 3.67Å
233	K	84.2	Confident	86.8	Confident	153 Å²	153	63.6 Å²	63.6	67%	0.665	31%	0.305	S	S	*	.	H	α-helix	trans	-67	-35.7	180	-74.1	-169.3	176.6	-168.7	0	111.9	G231 V237 F258	G231-K233 VanDerWaalsContact C-N 3.31Å; G231-K233 PolarHBondContact O-N 3.19Å; G231-K233 VanDerWaalsContact O-N 3.09Å; K233-V237 WeakPolarHBondContact O-CG2 3.5Å; K233-F258 HydrophobicContact CB-CE2 4.47Å; K233-F258 HydrophobicContact CB-CZ 4.22Å; K233-F258 HydrophobicContact CG-CE1 3.86Å; K233-F258 HydrophobicContact CG-CE2 3.94Å; K233-F258 HydrophobicContact CG-CZ 3.49Å; K233-F258 VanDerWaalsContact CG-CZ 3.49Å
234	K	88.8	Confident	87	Confident	103 Å²	103	58.3 Å²	58.3	45%	0.448	28%	0.277	S	S	.	.	H	α-helix	trans	-83	-29.8	177.6	-71.2	-178.5	165.3	-168.9	0	111.1	E230 G231 L232 E236 V237 N238	E230-K234 HydrophobicContact CB-CB 3.97Å; E230-K234 HydrophobicContact CB-CD 3.39Å; E230-K234 HydrophobicContact CB-CG 4.36Å; E230-K234 HydrophobicContact CG-CD 4.38Å; E230-K234 WeakPolarHBondContact OE2-CD 3.29Å; E230-K234 WeakPolarHBondContact OE2-CE 3.4Å; E230-K234 IonicContact OE2-NZ 3.53Å; E230-K234 PolarHBondContact OE2-NZ 2.95Å; G231-K234 PolarHBondContact O-N 3.28Å; L232-K234 VanDerWaalsContact C-N 3.29Å; L232-K234 PolarHBondContact O-N 3.38Å; K234-E236 PolarHBondContact O-N 2.69Å; K234-V237 CarbonylContact O-C 3.59Å; K234-V237 PolarHBondContact O-N 3.32Å; K234-N238 VanDerWaalsContact O-CB 3.26Å; K234-N238 WeakPolarHBondContact O-CB 3.46Å; K234-N238 PolarHBondContact O-N 3.35Å; K234-N238 PolarHBondContact O-ND2 3.45Å
235	A	88	Confident	86.9	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-52.1	-54.1	170.9	0	0	0	0	0	111.6	E227 E228 G231 L232 V237 N238 Y239	E227-A235 VanDerWaalsContact O-CA 3.26Å; E227-A235 WeakPolarHBondContact O-CA 3.49Å; E228-A235 HydrophobicContact CB-CB 4.43Å; E228-A235 HydrophobicContact CG-CB 3.92Å; G231-A235 PolarHBondContact O-N 2.85Å; L232-A235 WeakPolarHBondContact O-CB 3.41Å; L232-A235 PolarHBondContact O-N 3.11Å; A235-V237 VanDerWaalsContact C-N 3.33Å; A235-V237 PolarHBondContact O-N 2.97Å; A235-N238 PolarHBondContact O-N 3.06Å; A235-Y239 HydrophobicContact CB-CD2 4.48Å; A235-Y239 WeakPolarHBondContact O-CD2 3.05Å; A235-Y239 PolarHBondContact O-N 3.42Å
236	E	89.7	Confident	86.6	Confident	19 Å²	19	60.7 Å²	60.7	9%	0.089	28%	0.281	C	S	.	.	H	α-helix	trans	-56.4	-47.5	177.2	-174.4	173.6	-156.2	0	0	111.4	L232 K234 N238 V240 L274 R277	L232-E236 PolarHBondContact O-N 2.92Å; K234-E236 PolarHBondContact O-N 2.69Å; E236-N238 PolarHBondContact O-N 3.02Å; E236-V240 WeakPolarHBondContact O-CB 3.25Å; E236-V240 WeakPolarHBondContact O-CG2 3.41Å; E236-V240 PolarHBondContact O-N 3.23Å; E236-L274 HydrophobicContact CB-CD2 3.94Å; E236-L274 HydrophobicContact CG-CD2 4.04Å; E236-R277 IonicContact OE1-CZ 3.35Å; E236-R277 IonicContact OE1-NE 2.84Å; E236-R277 PolarHBondContact OE1-NE 2.93Å; E236-R277 IonicContact OE1-NH2 2.98Å; E236-R277 PolarHBondContact OE1-NH2 3.26Å; E236-R277 IonicContact OE2-NH2 3.94Å
237	V	90.6	Very high	85.9	Confident	36 Å²	36	62.4 Å²	62.4	22%	0.218	29%	0.289	C	S	.	.	H	α-helix	trans	-61.3	-41.8	178.3	173.8	0	0	0	0	112.5	K233 K234 A235 R241 L251 L253	K233-V237 WeakPolarHBondContact O-CG2 3.5Å; K234-V237 CarbonylContact O-C 3.59Å; K234-V237 PolarHBondContact O-N 3.32Å; A235-V237 VanDerWaalsContact C-N 3.33Å; A235-V237 PolarHBondContact O-N 2.97Å; V237-R241 VanDerWaalsContact O-CB 3.31Å; V237-R241 WeakPolarHBondContact O-CB 3.18Å; V237-R241 PolarHBondContact O-N 3.13Å; V237-L251 HydrophobicContact CG1-CD2 4.09Å; V237-L253 HydrophobicContact CG2-CD1 4.02Å; V237-L253 HydrophobicContact CG2-CD2 3.98Å
238	N	90.4	Very high	85.4	Confident	34 Å²	34	65.7 Å²	65.7	18%	0.182	31%	0.308	C	S	.	.	H	α-helix	trans	-70.1	-45	-177.1	-71.9	-17.6	0	0	0	110.9	E227 K234 A235 E236 R241 K242	E227-N238 HydrophobicContact CB-CB 3.8Å; E227-N238 HydrophobicContact CG-CB 4.07Å; E227-N238 PolarHBondContact O-ND2 2.8Å; K234-N238 VanDerWaalsContact O-CB 3.26Å; K234-N238 WeakPolarHBondContact O-CB 3.46Å; K234-N238 PolarHBondContact O-N 3.35Å; K234-N238 PolarHBondContact O-ND2 3.45Å; A235-N238 PolarHBondContact O-N 3.06Å; E236-N238 PolarHBondContact O-N 3.02Å; N238-R241 PolarHBondContact O-N 2.62Å; N238-K242 WeakPolarHBondContact O-CB 3.49Å; N238-K242 PolarHBondContact O-N 3.43Å
239	Y	90	Very high	84.9	Confident	9 Å²	9	72.6 Å²	72.6	4%	0.035	34%	0.34	C	S	.	.	H	α-helix	trans	-63.1	-44.4	174.5	-78.2	-61.7	0	0	0	111.9	E227 E228 A235 R241 K242 F243 Y271 L274	E227-Y239 HydrophobicContact CB-CD1 4.05Å; E227-Y239 HydrophobicContact CB-CD2 4.01Å; E227-Y239 HydrophobicContact CB-CE1 3.9Å; E227-Y239 HydrophobicContact CB-CE2 3.88Å; E227-Y239 HydrophobicContact CB-CG 4.14Å; E227-Y239 HydrophobicContact CG-CD1 3.86Å; E227-Y239 HydrophobicContact CG-CE1 3.88Å; E227-Y239 HydrophobicContact CG-CG 4.31Å; E228-Y239 HydrophobicContact CG-CE2 3.72Å; E228-Y239 PolarHBondContact OE1-OH 2.97Å; A235-Y239 HydrophobicContact CB-CD2 4.48Å; A235-Y239 WeakPolarHBondContact O-CD2 3.05Å; A235-Y239 PolarHBondContact O-N 3.42Å; Y239-R241 VanDerWaalsContact C-N 3.31Å; Y239-R241 PolarHBondContact O-N 3.08Å; Y239-K242 PolarHBondContact O-N 3.1Å; Y239-F243 HydrophobicContact CD1-CD2 4.46Å; Y239-F243 AromaticContact CD1-CE2 3.86Å; Y239-F243 HydrophobicContact CD1-CE2 3.86Å; Y239-F243 WeakPolarHBondContact O-CD2 3.27Å; Y239-F243 PolarHBondContact O-N 3.44Å; Y239-F243 VanDerWaalsContact O-N 3.12Å; Y239-Y271 HydrophobicContact CE1-CD2 4.23Å; Y239-Y271 AromaticContact CE1-CE2 3.94Å; Y239-Y271 HydrophobicContact CE1-CE2 3.94Å; Y239-L274 HydrophobicContact CD2-CD1 3.5Å; Y239-L274 VanDerWaalsContact CD2-CD1 3.5Å; Y239-L274 HydrophobicContact CE2-CD1 3.68Å
240	V	89	Confident	84.7	Confident	3 Å²	3	75.1 Å²	75.1	2%	0.018	35%	0.354	C	S	.	.	H	α-helix	trans	-59.4	-45.2	173.7	172.2	0	0	0	0	110.3	E236 K242 F243 Q244 L251 R252 L253 R278 M281	E236-V240 WeakPolarHBondContact O-CB 3.25Å; E236-V240 WeakPolarHBondContact O-CG2 3.41Å; E236-V240 PolarHBondContact O-N 3.23Å; V240-K242 VanDerWaalsContact C-N 3.28Å; V240-K242 PolarHBondContact O-N 3.41Å; V240-F243 PolarHBondContact O-N 2.74Å; V240-Q244 HydrophobicContact CG1-CB 4.07Å; V240-Q244 VanDerWaalsContact CG1-OE1 3.27Å; V240-Q244 WeakPolarHBondContact O-CA 3.43Å; V240-Q244 WeakPolarHBondContact O-CB 3.5Å; V240-Q244 PolarHBondContact O-N 3.15Å; V240-L251 HydrophobicContact CB-CD1 4.38Å; V240-L251 HydrophobicContact CG1-CD1 3.59Å; V240-L251 HydrophobicContact CG1-CG 4.22Å; V240-R252 WeakPolarHBondContact CG1-O 3.47Å; V240-L253 HydrophobicContact CB-CD2 4.1Å; V240-L253 HydrophobicContact CG1-CD2 4.17Å; V240-L253 HydrophobicContact CG2-CD2 4.03Å; V240-R278 HydrophobicContact CG2-CG 4.04Å; V240-M281 HydrophobicContact CG1-CE 4.31Å; V240-M281 HydrophobicContact CG2-CE 3.66Å
241	R	87.9	Confident	84.7	Confident	136 Å²	136	72.6 Å²	72.6	51%	0.513	34%	0.344	S	S	.	.	H	α-helix	trans	-60.4	-38	177.4	-178.6	179.5	-65.2	147	-0.4	112.7	V237 N238 Y239 W246 L251	V237-R241 VanDerWaalsContact O-CB 3.31Å; V237-R241 WeakPolarHBondContact O-CB 3.18Å; V237-R241 PolarHBondContact O-N 3.13Å; N238-R241 PolarHBondContact O-N 2.62Å; Y239-R241 VanDerWaalsContact C-N 3.31Å; Y239-R241 PolarHBondContact O-N 3.08Å; R241-W246 HydrophobicContact CB-CH2 3.93Å; R241-W246 HydrophobicContact CB-CZ3 4.36Å; R241-W246 HydrophobicContact CG-CH2 3.6Å; R241-W246 HydrophobicContact CG-CZ2 4.42Å; R241-W246 HydrophobicContact CG-CZ3 4.1Å; R241-W246 VanDerWaalsContact O-CZ3 3.25Å; R241-W246 WeakPolarHBondContact O-CZ3 3.26Å; R241-L251 HydrophobicContact CB-CD1 4.48Å
242	K	87.9	Confident	84.7	Confident	107 Å²	107	76.2 Å²	76.2	47%	0.465	35%	0.346	S	S	.	.	H	α-helix	trans	-66.4	-37.5	179.9	-171.2	170.4	-173.6	173.6	0	112.5	E227 N238 Y239 V240 R285	E227-K242 HydrophobicContact CG-CD 4.45Å; E227-K242 WeakPolarHBondContact OE1-CD 3.26Å; E227-K242 WeakPolarHBondContact OE1-CE 3.3Å; E227-K242 IonicContact OE1-NZ 3.39Å; E227-K242 PolarHBondContact OE1-NZ 3.46Å; N238-K242 WeakPolarHBondContact O-CB 3.49Å; N238-K242 PolarHBondContact O-N 3.43Å; Y239-K242 PolarHBondContact O-N 3.1Å; V240-K242 VanDerWaalsContact C-N 3.28Å; V240-K242 PolarHBondContact O-N 3.41Å; K242-R285 PolarHBondContact O-NH2 3.16Å
243	F	88.3	Confident	84.7	Confident	33 Å²	33	77.7 Å²	77.7	15%	0.145	35%	0.354	C	S	.	.	H	α-helix	trans	-114.4	-20.4	-167.2	-59.9	-65	0	0	0	115.2	Y239 V240 D284 R285 Y286	Y239-F243 HydrophobicContact CD1-CD2 4.46Å; Y239-F243 AromaticContact CD1-CE2 3.86Å; Y239-F243 HydrophobicContact CD1-CE2 3.86Å; Y239-F243 WeakPolarHBondContact O-CD2 3.27Å; Y239-F243 PolarHBondContact O-N 3.44Å; Y239-F243 VanDerWaalsContact O-N 3.12Å; V240-F243 PolarHBondContact O-N 2.74Å; F243-D284 WeakPolarHBondContact CB-OD2 3.42Å; F243-R285 WeakPolarHBondContact O-CB 3.48Å; F243-R285 WeakPolarHBondContact O-CG 3.42Å; F243-R285 PolarHBondContact O-N 2.96Å; F243-R285 PolarHBondContact O-NE 3.25Å; F243-Y286 AromaticContact CD1-CD2 3.73Å; F243-Y286 HydrophobicContact CD1-CD2 3.73Å; F243-Y286 AromaticContact CD1-CE2 3.77Å; F243-Y286 HydrophobicContact CD1-CE2 3.77Å; F243-Y286 HydrophobicContact CE1-CD2 4.44Å; F243-Y286 HydrophobicContact CE1-CE2 4.39Å
244	Q	85.2	Confident	84.8	Confident	5 Å²	5	71.4 Å²	71.4	2%	0.023	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-66.5	142.7	177.4	-162.5	-167.4	-24.9	0	0	111.3	V240 W246 K250 S283 R285	V240-Q244 HydrophobicContact CG1-CB 4.07Å; V240-Q244 VanDerWaalsContact CG1-OE1 3.27Å; V240-Q244 WeakPolarHBondContact O-CA 3.43Å; V240-Q244 WeakPolarHBondContact O-CB 3.5Å; V240-Q244 PolarHBondContact O-N 3.15Å; Q244-W246 HydrophobicContact CB-CZ3 4.21Å; Q244-K250 PolarHBondContact NE2-O 3.23Å; Q244-S283 WeakPolarHBondContact CA-O 3.33Å; Q244-S283 WeakPolarHBondContact CG-O 3.44Å; Q244-R285 PolarHBondContact O-NE 2.9Å; Q244-R285 VanDerWaalsContact O-NE 3.16Å; Q244-R285 PolarHBondContact O-NH2 3.18Å
245	S	79.8	Confident	84.6	Confident	41 Å²	41	76.6 Å²	76.6	29%	0.287	35%	0.352	S	S	.	.			trans	-73.9	137	168.8	55.9	0	0	0	0	110.8	S283	S245-S283 PolarHBondContact N-O 3.02Å; S245-S283 PolarHBondContact OG-O 3.35Å; S245-S283 VanDerWaalsContact OG-O 3.1Å
246	W	79.2	Confident	84.6	Confident	111 Å²	111	80 Å²	80	42%	0.42	37%	0.368	S	S	.	.			trans	-99.2	15	-172.2	-123.8	-95.3	0	0	0	115.3	R241 Q244 D248 Q249 L251	R241-W246 HydrophobicContact CB-CH2 3.93Å; R241-W246 HydrophobicContact CB-CZ3 4.36Å; R241-W246 HydrophobicContact CG-CH2 3.6Å; R241-W246 HydrophobicContact CG-CZ2 4.42Å; R241-W246 HydrophobicContact CG-CZ3 4.1Å; R241-W246 VanDerWaalsContact O-CZ3 3.25Å; R241-W246 WeakPolarHBondContact O-CZ3 3.26Å; Q244-W246 HydrophobicContact CB-CZ3 4.21Å; W246-D248 PolarHBondContact O-N 2.83Å; W246-D248 VanDerWaalsContact O-N 3.15Å; W246-Q249 PolarHBondContact O-N 3.43Å; W246-L251 HydrophobicContact CH2-CD1 3.65Å; W246-L251 HydrophobicContact CZ2-CD1 4.27Å; W246-L251 HydrophobicContact CZ3-CD1 4.47Å
247	Q	71.1	Confident	84.5	Confident	180 Å²	180	84.1 Å²	84.1	84%	0.841	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-38.8	-173	-71.1	179.4	-13.1	0	0	112.9
248	D	75.8	Confident	84.4	Confident	94 Å²	94	84.1 Å²	84.1	50%	0.503	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	4.4	-179.7	-65.1	-19.9	0	0	0	114.4	W246 K250 R252	W246-D248 PolarHBondContact O-N 2.83Å; W246-D248 VanDerWaalsContact O-N 3.15Å; D248-K250 HydrophobicContact CB-CB 4.46Å; D248-K250 WeakPolarHBondContact O-CG 3.45Å; D248-K250 PolarHBondContact O-N 3.5Å; D248-R252 IonicContact OD2-CZ 2.64Å; D248-R252 IonicContact OD2-NH2 2.66Å; D248-R252 PolarHBondContact OD2-NH2 2.87Å
249	Q	76.2	Confident	84.4	Confident	168 Å²	168	84.8 Å²	84.8	79%	0.785	40%	0.395	S	S	*	.	S	Bend	trans	51.8	18.2	-170.1	-62.4	-164.8	-20.8	0	0	115.8	W246	W246-Q249 PolarHBondContact O-N 3.43Å
250	K	81.9	Confident	84.3	Confident	147 Å²	147	87.5 Å²	87.5	64%	0.639	41%	0.41	S	S	*	.			trans	-113.2	124.6	-176.8	-73	171.3	-174.7	174.6	0	111.1	Q244 D248 R252	Q244-K250 PolarHBondContact NE2-O 3.23Å; D248-K250 HydrophobicContact CB-CB 4.46Å; D248-K250 WeakPolarHBondContact O-CG 3.45Å; D248-K250 PolarHBondContact O-N 3.5Å; K250-R252 PolarHBondContact O-N 2.64Å
251	L	84.2	Confident	84.4	Confident	67 Å²	67	87.4 Å²	87.4	35%	0.351	41%	0.409	S	S	.	.			trans	-73	124.8	170.1	-171.4	78.4	0	0	0	109.4	V237 V240 R241 W246 L253	V237-L251 HydrophobicContact CG1-CD2 4.09Å; V240-L251 HydrophobicContact CB-CD1 4.38Å; V240-L251 HydrophobicContact CG1-CD1 3.59Å; V240-L251 HydrophobicContact CG1-CG 4.22Å; R241-L251 HydrophobicContact CB-CD1 4.48Å; W246-L251 HydrophobicContact CH2-CD1 3.65Å; W246-L251 HydrophobicContact CZ2-CD1 4.27Å; W246-L251 HydrophobicContact CZ3-CD1 4.47Å; L251-L253 HydrophobicContact CD2-CD1 4.22Å; L251-L253 HydrophobicContact CD2-CD2 4Å; L251-L253 HydrophobicContact CD2-CG 4.04Å; L251-L253 HydrophobicContact CG-CD2 4.29Å; L251-L253 HydrophobicContact CG-CG 4.31Å
252	R	84	Confident	84.6	Confident	110 Å²	110	86.3 Å²	86.3	42%	0.415	41%	0.408	S	S	.	.			trans	-107.4	117.1	175.3	-64.2	179.5	-171.4	165.2	4.4	107.6	V240 D248 K250 M281	V240-R252 WeakPolarHBondContact CG1-O 3.47Å; D248-R252 IonicContact OD2-CZ 2.64Å; D248-R252 IonicContact OD2-NH2 2.66Å; D248-R252 PolarHBondContact OD2-NH2 2.87Å; K250-R252 PolarHBondContact O-N 2.64Å; R252-M281 VanDerWaalsContact C-SD 3.59Å; R252-M281 HydrophobicContact CB-SD 4.37Å; R252-M281 WeakPolarHBondContact O-CE 3.31Å
253	L	85.9	Confident	84.8	Confident	75 Å²	75	89.2 Å²	89.2	39%	0.393	42%	0.416	S	S	.	.			trans	-104.6	152.8	175.5	-64.8	173.2	0	0	0	109.7	V237 V240 L251	V237-L253 HydrophobicContact CG2-CD1 4.02Å; V237-L253 HydrophobicContact CG2-CD2 3.98Å; V240-L253 HydrophobicContact CB-CD2 4.1Å; V240-L253 HydrophobicContact CG1-CD2 4.17Å; V240-L253 HydrophobicContact CG2-CD2 4.03Å; L251-L253 HydrophobicContact CD2-CD1 4.22Å; L251-L253 HydrophobicContact CD2-CD2 4Å; L251-L253 HydrophobicContact CD2-CG 4.04Å; L251-L253 HydrophobicContact CG-CD2 4.29Å; L251-L253 HydrophobicContact CG-CG 4.31Å
254	S	86.2	Confident	84.9	Confident	21 Å²	21	87.9 Å²	87.9	15%	0.147	41%	0.411	C	S	.	.			trans	-63.1	141.5	179	179.4	0	0	0	0	110.1	E256 M281	S254-E256 VanDerWaalsContact C-N 3.34Å; S254-E256 PolarHBondContact OG-N 3.44Å; S254-M281 PolarHBondContact N-SD 3.09Å
255	K	86	Confident	85.2	Confident	213 Å²	213	92.9 Å²	92.9	93%	0.926	43%	0.43	S	S	*	.			trans	-87.3	-8.5	176.2	-63.5	-178.5	-178.6	177.4	0	112.7
256	E	87.4	Confident	85.7	Confident	72 Å²	72	98.7 Å²	98.7	34%	0.336	45%	0.452	S	S	.	.	S	Bend	trans	-68.1	156.3	-179.9	-69.6	-178.7	163.9	0	0	111.3	S254 R277 K280	S254-E256 VanDerWaalsContact C-N 3.34Å; S254-E256 PolarHBondContact OG-N 3.44Å; E256-R277 PolarHBondContact O-NH2 3.5Å; E256-R277 IonicContact OE2-NH1 3.59Å; E256-K280 WeakPolarHBondContact OE1-CD 3.41Å; E256-K280 WeakPolarHBondContact OE1-CE 3.42Å; E256-K280 IonicContact OE1-NZ 2.81Å; E256-K280 PolarHBondContact OE1-NZ 3.09Å; E256-K280 IonicContact OE2-NZ 3.95Å
257	D	87.4	Confident	86.3	Confident	105 Å²	105	97 Å²	97	56%	0.561	46%	0.458	S	S	*	.			trans	-61.4	143	-178.6	-169	12	0	0	0	111	S259 R277	D257-S259 PolarHBondContact O-N 2.99Å; D257-S259 PolarHBondContact OD1-N 3.24Å; D257-S259 VanDerWaalsContact OD2-CB 3.28Å; D257-S259 WeakPolarHBondContact OD2-CB 3.35Å; D257-S259 PolarHBondContact OD2-OG 3.35Å; D257-R277 PolarHBondContact O-NH1 3.18Å
258	F	88.9	Confident	87.1	Confident	36 Å²	36	91.9 Å²	91.9	16%	0.158	45%	0.453	C	S	.	.	H	α-helix	trans	-79.7	-10.1	-179.8	-171.8	-97.7	0	0	0	111.9	L232 K233 D260 V261 K262	L232-F258 HydrophobicContact CB-CE1 4.22Å; L232-F258 HydrophobicContact CB-CE2 4.45Å; L232-F258 HydrophobicContact CB-CZ 3.53Å; K233-F258 HydrophobicContact CB-CE2 4.47Å; K233-F258 HydrophobicContact CB-CZ 4.22Å; K233-F258 HydrophobicContact CG-CE1 3.86Å; K233-F258 HydrophobicContact CG-CE2 3.94Å; K233-F258 HydrophobicContact CG-CZ 3.49Å; K233-F258 VanDerWaalsContact CG-CZ 3.49Å; F258-D260 VanDerWaalsContact C-N 3.26Å; F258-D260 PolarHBondContact O-N 3.42Å; F258-V261 HydrophobicContact CD2-CB 4.15Å; F258-V261 HydrophobicContact CD2-CG2 4.22Å; F258-V261 HydrophobicContact CE2-CB 4.12Å; F258-V261 HydrophobicContact CE2-CG1 4Å; F258-V261 HydrophobicContact CE2-CG2 4.47Å; F258-V261 HydrophobicContact CZ-CG1 4.32Å; F258-V261 PolarHBondContact O-N 3.18Å; F258-K262 HydrophobicContact CD1-CD 4.28Å; F258-K262 HydrophobicContact CD1-CG 3.99Å; F258-K262 HydrophobicContact CE1-CD 4.32Å; F258-K262 HydrophobicContact CE1-CG 3.78Å; F258-K262 PolarHBondContact O-N 2.76Å
259	S	89.4	Confident	87.9	Confident	47 Å²	47	90.4 Å²	90.4	33%	0.329	45%	0.445	S	S	.	.	H	α-helix	trans	-59.7	-35.7	174.6	61.4	0	0	0	0	112.4	D257 K262 R263	D257-S259 PolarHBondContact O-N 2.99Å; D257-S259 PolarHBondContact OD1-N 3.24Å; D257-S259 VanDerWaalsContact OD2-CB 3.28Å; D257-S259 WeakPolarHBondContact OD2-CB 3.35Å; D257-S259 PolarHBondContact OD2-OG 3.35Å; S259-K262 WeakPolarHBondContact O-CB 3.47Å; S259-K262 PolarHBondContact O-N 3.03Å; S259-R263 PolarHBondContact O-N 3.24Å
260	D	89.4	Confident	88.6	Confident	67 Å²	67	82.7 Å²	82.7	36%	0.358	41%	0.409	S	S	.	.	H	α-helix	trans	-66.5	-41.2	177.4	-64.7	-32.2	0	0	0	111.9	F258 K262 R263 A264	F258-D260 VanDerWaalsContact C-N 3.26Å; F258-D260 PolarHBondContact O-N 3.42Å; D260-K262 VanDerWaalsContact C-N 3.3Å; D260-K262 PolarHBondContact O-N 3.18Å; D260-R263 WeakPolarHBondContact O-CB 3.33Å; D260-R263 PolarHBondContact O-N 3.46Å; D260-R263 IonicContact OD1-NH2 3.93Å; D260-A264 VanDerWaalsContact O-CB 3.31Å; D260-A264 WeakPolarHBondContact O-CB 3.18Å; D260-A264 PolarHBondContact O-N 3.3Å
261	V	90.5	Very high	89	Confident	0 Å²	0	81.5 Å²	81.5	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-62	-39.8	175.2	-177.4	0	0	0	0	111	F258 A264 R265 L270 L274	F258-V261 HydrophobicContact CD2-CB 4.15Å; F258-V261 HydrophobicContact CD2-CG2 4.22Å; F258-V261 HydrophobicContact CE2-CB 4.12Å; F258-V261 HydrophobicContact CE2-CG1 4Å; F258-V261 HydrophobicContact CE2-CG2 4.47Å; F258-V261 HydrophobicContact CZ-CG1 4.32Å; F258-V261 PolarHBondContact O-N 3.18Å; V261-A264 PolarHBondContact O-N 3.15Å; V261-R265 PolarHBondContact O-N 2.8Å; V261-R265 VanDerWaalsContact O-N 3.13Å; V261-L270 HydrophobicContact CG1-CD1 3.59Å; V261-L274 HydrophobicContact CG1-CD2 4.09Å; V261-L274 HydrophobicContact CG2-CD2 4.28Å
262	K	91.5	Very high	89.3	Confident	113 Å²	113	84.1 Å²	84.1	49%	0.491	41%	0.412	S	S	.	.	H	α-helix	trans	-64.7	-44.8	174.4	-71.8	-179.9	176.6	178.7	0	111.6	L232 F258 S259 D260 A264 R265 H266	L232-K262 HydrophobicContact CD1-CG 4.04Å; F258-K262 HydrophobicContact CD1-CD 4.28Å; F258-K262 HydrophobicContact CD1-CG 3.99Å; F258-K262 HydrophobicContact CE1-CD 4.32Å; F258-K262 HydrophobicContact CE1-CG 3.78Å; F258-K262 PolarHBondContact O-N 2.76Å; S259-K262 WeakPolarHBondContact O-CB 3.47Å; S259-K262 PolarHBondContact O-N 3.03Å; D260-K262 VanDerWaalsContact C-N 3.3Å; D260-K262 PolarHBondContact O-N 3.18Å; K262-A264 VanDerWaalsContact C-N 3.32Å; K262-R265 PolarHBondContact O-N 3.48Å; K262-H266 PolarHBondContact O-ND1 2.94Å
263	R	92.2	Very high	89.7	Confident	168 Å²	168	80 Å²	80	63%	0.634	40%	0.399	S	S	*	.	H	α-helix	trans	-60.2	-46.8	177.1	-167.6	-171.1	-46.6	-142.9	5	110.3	S259 D260 R265 H266 S267	S259-R263 PolarHBondContact O-N 3.24Å; D260-R263 WeakPolarHBondContact O-CB 3.33Å; D260-R263 PolarHBondContact O-N 3.46Å; D260-R263 IonicContact OD1-NH2 3.93Å; R263-R265 VanDerWaalsContact C-N 3.25Å; R263-R265 PolarHBondContact O-N 3.39Å; R263-H266 PolarHBondContact O-N 3.37Å; R263-S267 PolarHBondContact O-N 2.89Å; R263-S267 PolarHBondContact O-OG 3.09Å
264	A	91.7	Very high	90	Very high	5 Å²	5	76.6 Å²	76.6	4%	0.041	38%	0.382	C	S	.	.	H	α-helix	trans	-59.3	-35	-178.7	0	0	0	0	0	113.1	D260 V261 K262 H266 S267 G268 N269 L270 C273	D260-A264 VanDerWaalsContact O-CB 3.31Å; D260-A264 WeakPolarHBondContact O-CB 3.18Å; D260-A264 PolarHBondContact O-N 3.3Å; V261-A264 PolarHBondContact O-N 3.15Å; K262-A264 VanDerWaalsContact C-N 3.32Å; A264-H266 VanDerWaalsContact C-N 3.32Å; A264-H266 PolarHBondContact O-N 3.08Å; A264-S267 WeakPolarHBondContact CA-OG 3.48Å; A264-S267 PolarHBondContact O-N 2.66Å; A264-S267 PolarHBondContact O-OG 3.13Å; A264-G268 PolarHBondContact O-N 3.17Å; A264-G268 VanDerWaalsContact O-N 3.1Å; A264-N269 WeakPolarHBondContact CA-OD1 3.41Å; A264-N269 WeakPolarHBondContact CB-OD1 3.49Å; A264-N269 PolarHBondContact O-N 3.25Å; A264-N269 VanDerWaalsContact O-N 3.08Å; A264-N269 PolarHBondContact O-OD1 3.04Å; A264-N269 VanDerWaalsContact O-OD1 3.13Å; A264-L270 PolarHBondContact O-N 2.92Å; A264-C273 HydrophobicContact CB-CB 3.5Å
265	R	90.5	Very high	90.2	Very high	111 Å²	111	78.5 Å²	78.5	42%	0.419	39%	0.39	S	S	.	.	H	α-helix	trans	-61.2	-38.8	172.3	-179.5	59.8	-178.2	-178.7	3.1	113.1	E228 L232 V261 K262 R263	E228-R265 IonicContact OE2-NH1 3.77Å; E228-R265 PolarHBondContact OE2-NH1 2.82Å; L232-R265 HydrophobicContact CD1-CB 4.1Å; L232-R265 HydrophobicContact CD1-CG 4.35Å; L232-R265 HydrophobicContact CD2-CB 3.82Å; L232-R265 HydrophobicContact CD2-CG 3.89Å; V261-R265 PolarHBondContact O-N 2.8Å; V261-R265 VanDerWaalsContact O-N 3.13Å; K262-R265 PolarHBondContact O-N 3.48Å; R263-R265 VanDerWaalsContact C-N 3.25Å; R263-R265 PolarHBondContact O-N 3.39Å
266	H	89.6	Confident	90.5	Very high	162 Å²	162	72.2 Å²	72.2	75%	0.75	37%	0.366	S	S	*	.	H	α-helix	trans	-80.6	-29.2	-178.5	-62.4	82.5	0	0	0	112.1	K262 R263 A264 G268	K262-H266 PolarHBondContact O-ND1 2.94Å; R263-H266 PolarHBondContact O-N 3.37Å; A264-H266 VanDerWaalsContact C-N 3.32Å; A264-H266 PolarHBondContact O-N 3.08Å; H266-G268 VanDerWaalsContact C-N 3.34Å
267	S	91.6	Very high	90.6	Very high	77 Å²	77	69 Å²	69	54%	0.538	35%	0.351	S	S	.	.	H	α-helix	trans	-85.3	-2	175.7	43.2	0	0	0	0	114.5	R263 A264 N269	R263-S267 PolarHBondContact O-N 2.89Å; R263-S267 PolarHBondContact O-OG 3.09Å; A264-S267 WeakPolarHBondContact CA-OG 3.48Å; A264-S267 PolarHBondContact O-N 2.66Å; A264-S267 PolarHBondContact O-OG 3.13Å; S267-N269 VanDerWaalsContact C-N 3.3Å; S267-N269 PolarHBondContact O-N 3.38Å; S267-N269 PolarHBondContact OG-OD1 3.05Å
268	G	89.4	Confident	90.7	Very high	71 Å²	71	64.5 Å²	64.5	73%	0.732	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	5.9	177.3	0	0	0	0	0	115.2	A264 H266	A264-G268 PolarHBondContact O-N 3.17Å; A264-G268 VanDerWaalsContact O-N 3.1Å; H266-G268 VanDerWaalsContact C-N 3.34Å
269	N	92.4	Very high	90.7	Very high	64 Å²	64	67.3 Å²	67.3	34%	0.342	34%	0.34	S	S	.	.			trans	-110.1	31.5	-179.4	65.9	-20.7	0	0	0	112.6	A264 S267 Y271 E272 C273	A264-N269 WeakPolarHBondContact CA-OD1 3.41Å; A264-N269 WeakPolarHBondContact CB-OD1 3.49Å; A264-N269 PolarHBondContact O-N 3.25Å; A264-N269 VanDerWaalsContact O-N 3.08Å; A264-N269 PolarHBondContact O-OD1 3.04Å; A264-N269 VanDerWaalsContact O-OD1 3.13Å; S267-N269 VanDerWaalsContact C-N 3.3Å; S267-N269 PolarHBondContact O-N 3.38Å; S267-N269 PolarHBondContact OG-OD1 3.05Å; N269-Y271 VanDerWaalsContact C-N 3.33Å; N269-Y271 PolarHBondContact O-N 2.95Å; N269-E272 PolarHBondContact O-N 2.73Å; N269-C273 WeakPolarHBondContact O-CB 3.31Å; N269-C273 PolarHBondContact O-N 3.45Å
270	L	91.3	Very high	90.7	Very high	6 Å²	6	71.4 Å²	71.4	3%	0.031	35%	0.352	C	S	.	.	H	α-helix	trans	-58.4	-44.9	179.8	177.2	63.8	0	0	0	112.1	E228 L232 V261 A264 E272 C273 L274	E228-L270 HydrophobicContact CG-CD2 4.26Å; E228-L270 WeakPolarHBondContact OE2-CD2 3.14Å; L232-L270 HydrophobicContact CD2-CD1 4.07Å; L232-L270 HydrophobicContact CD2-CD2 3.67Å; V261-L270 HydrophobicContact CG1-CD1 3.59Å; A264-L270 PolarHBondContact O-N 2.92Å; L270-E272 PolarHBondContact O-N 2.99Å; L270-C273 PolarHBondContact O-N 2.94Å; L270-L274 HydrophobicContact CD1-CD1 3.9Å; L270-L274 HydrophobicContact CD1-CG 4.05Å; L270-L274 HydrophobicContact CG-CD1 3.92Å; L270-L274 HydrophobicContact CG-CG 4.41Å; L270-L274 WeakPolarHBondContact O-CG 3.48Å; L270-L274 PolarHBondContact O-N 3.17Å
271	Y	89.4	Confident	90.4	Very high	121 Å²	121	69.9 Å²	69.9	48%	0.475	34%	0.343	S	S	.	.	H	α-helix	trans	-62.8	-44.2	-176.3	-173.4	-97.8	0	0	0	111.8	Y239 N269 L274 L275	Y239-Y271 HydrophobicContact CE1-CD2 4.23Å; Y239-Y271 AromaticContact CE1-CE2 3.94Å; Y239-Y271 HydrophobicContact CE1-CE2 3.94Å; N269-Y271 VanDerWaalsContact C-N 3.33Å; N269-Y271 PolarHBondContact O-N 2.95Å; Y271-L274 PolarHBondContact O-N 2.94Å; Y271-L275 PolarHBondContact O-N 2.98Å
272	E	91.4	Very high	90	Very high	123 Å²	123	78.5 Å²	78.5	58%	0.575	38%	0.38	S	S	*	.	H	α-helix	trans	-62.5	-47.4	175.5	-63.9	178.3	171.2	0	0	111.4	N269 L270 L274 L275 D276	N269-E272 PolarHBondContact O-N 2.73Å; L270-E272 PolarHBondContact O-N 2.99Å; E272-L274 VanDerWaalsContact C-N 3.26Å; E272-L274 PolarHBondContact O-N 3.25Å; E272-L275 WeakPolarHBondContact O-CA 3.46Å; E272-L275 VanDerWaalsContact O-CB 3.29Å; E272-L275 WeakPolarHBondContact O-CB 3.13Å; E272-L275 PolarHBondContact O-N 2.84Å; E272-D276 PolarHBondContact O-N 2.85Å
273	C	92.3	Very high	89.6	Confident	22 Å²	22	73.2 Å²	73.2	15%	0.149	36%	0.358	C	S	.	.	H	α-helix	trans	-57.8	-40	176.7	-179.3	0	0	0	0	112.1	A264 N269 L270 R277	A264-C273 HydrophobicContact CB-CB 3.5Å; N269-C273 WeakPolarHBondContact O-CB 3.31Å; N269-C273 PolarHBondContact O-N 3.45Å; L270-C273 PolarHBondContact O-N 2.94Å; C273-R277 WeakPolarHBondContact O-CB 3.38Å; C273-R277 WeakPolarHBondContact O-CG 3.13Å; C273-R277 PolarHBondContact O-N 3.48Å; C273-R277 VanDerWaalsContact O-N 3.11Å
274	L	92	Very high	89.3	Confident	4 Å²	4	65.9 Å²	65.9	2%	0.021	33%	0.331	C	S	.	.	H	α-helix	trans	-73.7	-27.8	176.7	-68.6	176.3	0	0	0	113	E236 Y239 V261 L270 Y271 E272 R278	E236-L274 HydrophobicContact CB-CD2 3.94Å; E236-L274 HydrophobicContact CG-CD2 4.04Å; Y239-L274 HydrophobicContact CD2-CD1 3.5Å; Y239-L274 VanDerWaalsContact CD2-CD1 3.5Å; Y239-L274 HydrophobicContact CE2-CD1 3.68Å; V261-L274 HydrophobicContact CG1-CD2 4.09Å; V261-L274 HydrophobicContact CG2-CD2 4.28Å; L270-L274 HydrophobicContact CD1-CD1 3.9Å; L270-L274 HydrophobicContact CD1-CG 4.05Å; L270-L274 HydrophobicContact CG-CD1 3.92Å; L270-L274 HydrophobicContact CG-CG 4.41Å; L270-L274 WeakPolarHBondContact O-CG 3.48Å; L270-L274 PolarHBondContact O-N 3.17Å; Y271-L274 PolarHBondContact O-N 2.94Å; E272-L274 VanDerWaalsContact C-N 3.26Å; E272-L274 PolarHBondContact O-N 3.25Å; L274-R278 WeakPolarHBondContact O-CB 3.26Å; L274-R278 VanDerWaalsContact O-CG 3.27Å; L274-R278 WeakPolarHBondContact O-CG 3.41Å; L274-R278 PolarHBondContact O-N 3.41Å; L274-R278 PolarHBondContact O-NE 3.21Å
275	L	90.8	Very high	88.9	Confident	62 Å²	62	72 Å²	72	33%	0.325	35%	0.354	S	S	.	.	H	α-helix	trans	-65	-53.2	170.2	-173.9	94	0	0	0	110.3	Y271 E272 R277 R278 E279	Y271-L275 PolarHBondContact O-N 2.98Å; E272-L275 WeakPolarHBondContact O-CA 3.46Å; E272-L275 VanDerWaalsContact O-CB 3.29Å; E272-L275 WeakPolarHBondContact O-CB 3.13Å; E272-L275 PolarHBondContact O-N 2.84Å; L275-R277 VanDerWaalsContact C-N 3.27Å; L275-R277 PolarHBondContact O-N 2.91Å; L275-R278 WeakPolarHBondContact O-CA 3.4Å; L275-R278 WeakPolarHBondContact O-CB 3.16Å; L275-R278 PolarHBondContact O-N 3.32Å; L275-E279 PolarHBondContact O-N 3.07Å
276	D	90.7	Very high	88.6	Confident	80 Å²	80	74.5 Å²	74.5	43%	0.428	36%	0.364	S	S	.	.	H	α-helix	trans	-57.7	-41.6	-179.6	-67.6	-15	0	0	0	111.7	E272 R278 E279 K280	E272-D276 PolarHBondContact O-N 2.85Å; D276-R278 VanDerWaalsContact C-N 3.32Å; D276-R278 PolarHBondContact O-N 2.6Å; D276-E279 PolarHBondContact O-N 3.42Å; D276-K280 WeakPolarHBondContact O-CG 3.18Å; D276-K280 PolarHBondContact O-N 2.98Å; D276-K280 VanDerWaalsContact O-N 3.13Å
277	R	90.6	Very high	88	Confident	6 Å²	6	68 Å²	68	2%	0.023	34%	0.336	C	S	.	.	H	α-helix	trans	-64.1	-36.2	175.9	-72.1	174.4	77.2	90.6	-2.3	112.2	E236 E256 D257 C273 L275 M281	E236-R277 IonicContact OE1-CZ 3.35Å; E236-R277 IonicContact OE1-NE 2.84Å; E236-R277 PolarHBondContact OE1-NE 2.93Å; E236-R277 IonicContact OE1-NH2 2.98Å; E236-R277 PolarHBondContact OE1-NH2 3.26Å; E236-R277 IonicContact OE2-NH2 3.94Å; E256-R277 PolarHBondContact O-NH2 3.5Å; E256-R277 IonicContact OE2-NH1 3.59Å; D257-R277 PolarHBondContact O-NH1 3.18Å; C273-R277 WeakPolarHBondContact O-CB 3.38Å; C273-R277 WeakPolarHBondContact O-CG 3.13Å; C273-R277 PolarHBondContact O-N 3.48Å; C273-R277 VanDerWaalsContact O-N 3.11Å; L275-R277 VanDerWaalsContact C-N 3.27Å; L275-R277 PolarHBondContact O-N 2.91Å; R277-M281 WeakPolarHBondContact O-CG 3.48Å
278	R	90	Very high	86.8	Confident	9 Å²	9	76.5 Å²	76.5	3%	0.034	36%	0.364	C	S	.	.	H	α-helix	trans	-72.4	-42	176.8	-77.4	-175.2	-61.3	130.6	-11.2	112.3	V240 L274 L275 D276 K280 M281 D284	V240-R278 HydrophobicContact CG2-CG 4.04Å; L274-R278 WeakPolarHBondContact O-CB 3.26Å; L274-R278 VanDerWaalsContact O-CG 3.27Å; L274-R278 WeakPolarHBondContact O-CG 3.41Å; L274-R278 PolarHBondContact O-N 3.41Å; L274-R278 PolarHBondContact O-NE 3.21Å; L275-R278 WeakPolarHBondContact O-CA 3.4Å; L275-R278 WeakPolarHBondContact O-CB 3.16Å; L275-R278 PolarHBondContact O-N 3.32Å; D276-R278 VanDerWaalsContact C-N 3.32Å; D276-R278 PolarHBondContact O-N 2.6Å; R278-K280 PolarHBondContact O-N 3.11Å; R278-M281 HydrophobicContact CB-CE 4.37Å; R278-M281 HydrophobicContact CG-CE 4.05Å; R278-M281 WeakPolarHBondContact O-CB 3.16Å; R278-M281 PolarHBondContact O-N 3.29Å; R278-M281 VanDerWaalsContact O-N 3.16Å; R278-D284 HydrophobicContact CB-CB 4.39Å; R278-D284 WeakPolarHBondContact CD-OD2 3.28Å; R278-D284 IonicContact CZ-OD2 3.92Å; R278-D284 IonicContact NE-OD2 2.74Å; R278-D284 IonicContact NH1-OD1 3.82Å; R278-D284 IonicContact NH1-OD2 2.97Å; R278-D284 PolarHBondContact NH1-OD2 3.29Å
279	E	88.2	Confident	86.7	Confident	96 Å²	96	76.8 Å²	76.8	45%	0.449	35%	0.345	S	S	.	.	H	α-helix	trans	-57	-49	176.6	-179.1	178	159.4	0	0	111.5	L275 D276 M281 K282 C287	L275-E279 PolarHBondContact O-N 3.07Å; D276-E279 PolarHBondContact O-N 3.42Å; E279-M281 PolarHBondContact O-N 3.08Å; E279-K282 PolarHBondContact O-N 3Å; E279-C287 HydrophobicContact CB-CB 3.83Å; E279-C287 HydrophobicContact CG-CB 3.99Å
280	K	88.1	Confident	86.3	Confident	132 Å²	132	77.5 Å²	77.5	57%	0.574	35%	0.346	S	S	*	.	H	α-helix	trans	-57.7	-25.2	178.6	-72.7	172	-177	171.7	0	114.2	E256 D276 R278 K282	E256-K280 WeakPolarHBondContact OE1-CD 3.41Å; E256-K280 WeakPolarHBondContact OE1-CE 3.42Å; E256-K280 IonicContact OE1-NZ 2.81Å; E256-K280 PolarHBondContact OE1-NZ 3.09Å; E256-K280 IonicContact OE2-NZ 3.95Å; D276-K280 WeakPolarHBondContact O-CG 3.18Å; D276-K280 PolarHBondContact O-N 2.98Å; D276-K280 VanDerWaalsContact O-N 3.13Å; R278-K280 PolarHBondContact O-N 3.11Å; K280-K282 VanDerWaalsContact C-N 3.31Å; K280-K282 PolarHBondContact O-N 2.88Å
281	M	84.6	Confident	86.1	Confident	35 Å²	35	81.4 Å²	81.4	17%	0.172	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-11.8	179.3	-65.6	-169.5	-70	0	0	114	V240 R252 S254 R277 R278 E279 S283	V240-M281 HydrophobicContact CG1-CE 4.31Å; V240-M281 HydrophobicContact CG2-CE 3.66Å; R252-M281 VanDerWaalsContact C-SD 3.59Å; R252-M281 HydrophobicContact CB-SD 4.37Å; R252-M281 WeakPolarHBondContact O-CE 3.31Å; S254-M281 PolarHBondContact N-SD 3.09Å; R277-M281 WeakPolarHBondContact O-CG 3.48Å; R278-M281 HydrophobicContact CB-CE 4.37Å; R278-M281 HydrophobicContact CG-CE 4.05Å; R278-M281 WeakPolarHBondContact O-CB 3.16Å; R278-M281 PolarHBondContact O-N 3.29Å; R278-M281 VanDerWaalsContact O-N 3.16Å; E279-M281 PolarHBondContact O-N 3.08Å; M281-S283 PolarHBondContact O-N 3.25Å; M281-S283 PolarHBondContact O-OG 3.48Å
282	K	82	Confident	85.9	Confident	181 Å²	181	79.1 Å²	79.1	79%	0.787	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	29.2	-179.4	-55.8	-173.8	177.8	-171.8	0	114.1	E279 K280	E279-K282 PolarHBondContact O-N 3Å; K280-K282 VanDerWaalsContact C-N 3.31Å; K280-K282 PolarHBondContact O-N 2.88Å
283	S	81.8	Confident	85.5	Confident	3 Å²	3	76.4 Å²	76.4	2%	0.021	34%	0.343	C	S	.	.			trans	-126.4	-5.6	-179.9	53.8	0	0	0	0	112.6	Q244 S245 M281	Q244-S283 WeakPolarHBondContact CA-O 3.33Å; Q244-S283 WeakPolarHBondContact CG-O 3.44Å; S245-S283 PolarHBondContact N-O 3.02Å; S245-S283 PolarHBondContact OG-O 3.35Å; S245-S283 VanDerWaalsContact OG-O 3.1Å; M281-S283 PolarHBondContact O-N 3.25Å; M281-S283 PolarHBondContact O-OG 3.48Å
284	D	85.7	Confident	85.1	Confident	14 Å²	14	80 Å²	80	8%	0.075	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-65.6	140.2	168.4	-160.8	-71.9	0	0	0	110	F243 R278 Y286 C287	F243-D284 WeakPolarHBondContact CB-OD2 3.42Å; R278-D284 HydrophobicContact CB-CB 4.39Å; R278-D284 WeakPolarHBondContact CD-OD2 3.28Å; R278-D284 IonicContact CZ-OD2 3.92Å; R278-D284 IonicContact NE-OD2 2.74Å; R278-D284 IonicContact NH1-OD1 3.82Å; R278-D284 IonicContact NH1-OD2 2.97Å; R278-D284 PolarHBondContact NH1-OD2 3.29Å; D284-Y286 VanDerWaalsContact C-N 3.31Å; D284-Y286 PolarHBondContact OD1-N 3.29Å; D284-C287 HydrophobicContact CB-CB 3.91Å; D284-C287 PolarHBondContact OD1-N 3.41Å
285	R	84.4	Confident	84.6	Confident	134 Å²	134	85.4 Å²	85.4	51%	0.506	38%	0.38	S	S	.	.	S	Bend	trans	-73.6	-23.3	179.1	-75.9	178.5	-89.4	164.8	-7.5	113.3	K242 F243 Q244	K242-R285 PolarHBondContact O-NH2 3.16Å; F243-R285 WeakPolarHBondContact O-CB 3.48Å; F243-R285 WeakPolarHBondContact O-CG 3.42Å; F243-R285 PolarHBondContact O-N 2.96Å; F243-R285 PolarHBondContact O-NE 3.25Å; Q244-R285 PolarHBondContact O-NE 2.9Å; Q244-R285 VanDerWaalsContact O-NE 3.16Å; Q244-R285 PolarHBondContact O-NH2 3.18Å
286	Y	84.4	Confident	84.1	Confident	162 Å²	162	87.2 Å²	87.2	64%	0.635	38%	0.384	S	S	*	.	S	Bend	trans	-112.9	-24.8	-169.4	-59.3	-73.7	0	0	0	113.2	F243 D284	F243-Y286 AromaticContact CD1-CD2 3.73Å; F243-Y286 HydrophobicContact CD1-CD2 3.73Å; F243-Y286 AromaticContact CD1-CE2 3.77Å; F243-Y286 HydrophobicContact CD1-CE2 3.77Å; F243-Y286 HydrophobicContact CE1-CD2 4.44Å; F243-Y286 HydrophobicContact CE1-CE2 4.39Å; D284-Y286 VanDerWaalsContact C-N 3.31Å; D284-Y286 PolarHBondContact OD1-N 3.29Å
287	C	77.5	Confident	83.6	Confident	26 Å²	26	87.8 Å²	87.8	18%	0.176	38%	0.38	C	S	.	.			trans	-82.9	125.9	171.5	-52.5	0	0	0	0	109.8	E279 D284	E279-C287 HydrophobicContact CB-CB 3.83Å; E279-C287 HydrophobicContact CG-CB 3.99Å; D284-C287 HydrophobicContact CB-CB 3.91Å; D284-C287 PolarHBondContact OD1-N 3.41Å
288	K	65.3	Low	82.9	Confident	256 Å²	256	95.3 Å²	95.3	100%	1.113	41%	0.413	S	S	*	.			trans	-105.5	0	178.2	-74.7	-173.5	178.4	177.1	0	111.3

Retrieved 288 of 288 residues in 79.3 ms (Link to these results)

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