A0A090N7V8_HUMAN Loading...

peptidylprolyl isomerase

PPIase which accelerates the folding of proteins during protein synthesis. Has a preference for substrates containing 4-hydroxylproline modifications, including type III collagen. May also target type VI and type X collagens.

AlphaFold DB (Q9NWM8), UniProt , Accession A0A090N7V8, Species HUMAN (Homo sapiens, Human), Gene FKBP14, Length 211 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	52.5	Low	56.5	Low	240 Å²	240	174.5 Å²	174.5	100%	1.182	87%	0.872	S	S	*	*				0	98.1	0	-78.6	161.2	65.4	0	0	109.5
2	R	56.2	Low	56.9	Low	250 Å²	250	172.6 Å²	172.6	94%	0.943	87%	0.865	S	S	*	*			trans	-143.8	120.1	165.1	-78.6	-168.7	174.4	-149.2	-2.1	107.3
3	L	52	Low	57.1	Low	177 Å²	177	173.2 Å²	173.2	93%	0.927	86%	0.86	S	S	*	*			trans	-75.3	141.2	-172.2	-78.7	112.6	0	0	0	112.2
4	F	52.4	Low	57.7	Low	190 Å²	190	169.8 Å²	169.8	83%	0.833	85%	0.853	S	S	*	*			trans	-66.7	136.9	162.5	-90.2	-105.7	0	0	0	110.8
5	L	57.3	Low	58	Low	175 Å²	175	166.3 Å²	166.3	92%	0.916	84%	0.844	S	S	*	*			trans	-144.2	118.4	145.8	-78.2	179.4	0	0	0	109.4
6	W	51.8	Low	57.7	Low	246 Å²	246	162.1 Å²	162.1	93%	0.932	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-72.1	132.9	179.3	-118.7	-24.3	0	0	0	110.4	A8	W6-A8 PolarHBondContact O-N 3.39Å
7	N	56.1	Low	57.7	Low	160 Å²	160	162.3 Å²	162.3	86%	0.856	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-72.3	117.7	166.7	-81.2	-33.3	0	0	0	109.5	V9	N7-V9 PolarHBondContact O-N 3.49Å
8	A	62.8	Low	57.9	Low	92 Å²	92	161.3 Å²	161.3	76%	0.76	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-70.8	122.3	174	0	0	0	0	0	110.5	W6	W6-A8 PolarHBondContact O-N 3.39Å
9	V	61.4	Low	57.8	Low	127 Å²	127	156.1 Å²	156.1	77%	0.77	82%	0.821	S	S	*	*			trans	-80.3	114.5	167.1	173.9	0	0	0	0	107.4	N7 T11	N7-V9 PolarHBondContact O-N 3.49Å; V9-T11 HydrophobicContact CG1-CG2 4.27Å
10	L	56.8	Low	57.9	Low	154 Å²	154	152.7 Å²	152.7	81%	0.806	82%	0.816	S	S	*	*			trans	-98.7	94.9	171.9	-130.3	116.3	0	0	0	108
11	T	62.4	Low	58.3	Low	109 Å²	109	153.5 Å²	153.5	67%	0.669	82%	0.819	S	S	*	*			trans	-84.2	107.5	170.2	21.9	0	0	0	0	109.2	V9 F13	V9-T11 HydrophobicContact CG1-CG2 4.27Å; T11-F13 PolarHBondContact O-N 3.43Å
12	L	60.9	Low	59.4	Low	151 Å²	151	149.3 Å²	149.3	79%	0.791	80%	0.8	S	S	*	*			trans	-69.4	104.9	168.6	-101.5	137.7	0	0	0	109.3	V14	L12-V14 PolarHBondContact O-N 3.22Å
13	F	59	Low	60.6	Low	181 Å²	181	142.8 Å²	142.8	79%	0.794	79%	0.79	S	S	*	*			trans	-80.4	105	163.5	-96.6	-89.6	0	0	0	108.8	T11 T15	T11-F13 PolarHBondContact O-N 3.43Å; F13-T15 PolarHBondContact O-N 3.44Å
14	V	65.8	Low	62.3	Low	125 Å²	125	141.9 Å²	141.9	76%	0.758	78%	0.781	S	S	*	*			trans	-83.7	102.4	165.5	177.6	0	0	0	0	107.3	L12 S16	L12-V14 PolarHBondContact O-N 3.22Å; V14-S16 PolarHBondContact O-N 3.34Å
15	T	61.8	Low	64	Low	118 Å²	118	135.1 Å²	135.1	72%	0.724	76%	0.756	S	S	*	*			trans	-80.5	103.6	169.4	50.7	0	0	0	0	109	F13 L17	F13-T15 PolarHBondContact O-N 3.44Å; T15-L17 PolarHBondContact O-N 3.16Å
16	S	54.3	Low	65.7	Low	98 Å²	98	134.1 Å²	134.1	69%	0.685	75%	0.747	S	S	*	*			trans	-69	106.8	167.5	175.4	0	0	0	0	109.4	V14 I18	V14-S16 PolarHBondContact O-N 3.34Å; S16-I18 PolarHBondContact O-N 3.24Å; S16-I18 VanDerWaalsContact O-N 3.16Å
17	L	57.8	Low	67.9	Low	166 Å²	166	123.2 Å²	123.2	87%	0.869	71%	0.707	S	S	*	*			trans	-73.8	94	166	-101.3	142.8	0	0	0	108	T15 G19	T15-L17 PolarHBondContact O-N 3.16Å; L17-G19 VanDerWaalsContact C-N 3.34Å; L17-G19 PolarHBondContact O-N 3.11Å; L17-G19 VanDerWaalsContact O-N 3.11Å
18	I	60.5	Low	69.9	Low	145 Å²	145	121.3 Å²	121.3	74%	0.744	69%	0.692	S	S	*	*			trans	-75.4	94.3	164.2	-60.1	171.3	0	0	0	105.8	S16 A20	S16-I18 PolarHBondContact O-N 3.24Å; S16-I18 VanDerWaalsContact O-N 3.16Å; I18-A20 PolarHBondContact O-N 2.99Å
19	G	56.9	Low	71.6	Confident	62 Å²	62	120.6 Å²	120.6	64%	0.639	67%	0.674	S	S	*	*			trans	-63.1	99.8	163.7	0	0	0	0	0	108	L17 L21	L17-G19 VanDerWaalsContact C-N 3.34Å; L17-G19 PolarHBondContact O-N 3.11Å; L17-G19 VanDerWaalsContact O-N 3.11Å; G19-L21 PolarHBondContact O-N 3.06Å
20	A	59	Low	73.3	Confident	87 Å²	87	117.4 Å²	117.4	72%	0.719	65%	0.651	S	S	*	*			trans	-62.9	109	168.3	0	0	0	0	0	107.5	I18 I22	I18-A20 PolarHBondContact O-N 2.99Å; A20-I22 PolarHBondContact O-N 3.11Å; A20-I22 VanDerWaalsContact O-N 3.11Å
21	L	67.1	Low	75.3	Confident	170 Å²	170	113.2 Å²	113.2	89%	0.89	63%	0.631	S	S	*	*			trans	-57.1	115.3	169.9	-83.4	125	0	0	0	107.9	G19	G19-L21 PolarHBondContact O-N 3.06Å
22	I	74.2	Confident	77	Confident	153 Å²	153	112.6 Å²	112.6	79%	0.785	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-63.7	126.3	171.6	-59.9	172.2	0	0	0	106.1	A20 E24	A20-I22 PolarHBondContact O-N 3.11Å; A20-I22 VanDerWaalsContact O-N 3.11Å; I22-E24 PolarHBondContact O-N 3.44Å
23	P	82.2	Confident	78.8	Confident	112 Å²	112	110.4 Å²	110.4	73%	0.727	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-61	137.6	178.9	26	-33.5	0	0	0	109.9
24	E	86.8	Confident	80.6	Confident	158 Å²	158	108.3 Å²	108.3	74%	0.738	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-56.5	142.1	172.2	-70.5	-70.1	166.1	0	0	109.5	I22 E26	I22-E24 PolarHBondContact O-N 3.44Å; E24-E26 PolarHBondContact O-N 3.16Å
25	P	89.3	Confident	82	Confident	48 Å²	48	104.2 Å²	104.2	31%	0.312	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-64.2	127.7	177.5	27.9	-33.2	0	0	0	109.5	P106 A108 L109	P25-P106 HydrophobicContact CB-CG 4Å; P25-A108 HydrophobicContact CB-CB 3.87Å; P25-A108 HydrophobicContact CG-CB 3.75Å; P25-L109 HydrophobicContact CB-CG 4.21Å; P25-L109 HydrophobicContact CG-CD2 4.35Å; P25-L109 HydrophobicContact CG-CG 4.38Å; P25-L109 WeakPolarHBondContact O-CD1 3.42Å
26	E	93	Very high	83.7	Confident	155 Å²	155	108.6 Å²	108.6	72%	0.724	59%	0.585	S	S	*	*			trans	-122.6	145.1	179.2	-70.2	-173.8	172.6	0	0	111	E24 P106	E24-E26 PolarHBondContact O-N 3.16Å; E26-P106 WeakPolarHBondContact O-CD 3.05Å
27	V	96.8	Very high	85.7	Confident	16 Å²	16	108.7 Å²	108.7	10%	0.097	58%	0.577	C	S	.	*			trans	-77.6	131.1	169.5	178.5	0	0	0	0	110.1	I29 Q90 L103 I104 I105 L109	V27-I29 HydrophobicContact CG1-CG1 4.18Å; V27-Q90 HydrophobicContact CG2-CB 4.31Å; V27-L103 HydrophobicContact CG1-CB 3.95Å; V27-L103 HydrophobicContact CG1-CD2 4.21Å; V27-I104 WeakPolarHBondContact CA-O 3.28Å; V27-I105 HydrophobicContact CG1-CG1 3.96Å; V27-I105 HydrophobicContact CG2-CB 4.47Å; V27-I105 HydrophobicContact CG2-CG1 4.05Å; V27-I105 HydrophobicContact CG2-CG2 4.3Å; V27-L109 HydrophobicContact CG2-CB 4.45Å; V27-L109 HydrophobicContact CG2-CD1 3.54Å
28	K	98.1	Very high	87.6	Confident	120 Å²	120	103.2 Å²	103.2	52%	0.522	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.2	124.2	166.5	-171.2	-173.4	-177.4	-159	0	109.9	E30 L103 I104	K28-E30 WeakPolarHBondContact CE-OE1 3.39Å; K28-E30 IonicContact NZ-OE1 2.7Å; K28-E30 PolarHBondContact NZ-OE1 2.92Å; K28-L103 WeakPolarHBondContact O-CA 3Å; K28-I104 HydrophobicContact CB-CB 4.06Å; K28-I104 HydrophobicContact CB-CG1 4.41Å; K28-I104 HydrophobicContact CD-CD1 3.98Å; K28-I104 PolarHBondContact N-O 3.13Å; K28-I104 PolarHBondContact O-N 3.38Å
29	I	98.5	Very high	89.2	Confident	77 Å²	77	104.6 Å²	104.6	40%	0.395	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.9	121	-178.3	-51.2	170.2	0	0	0	109.5	V27 L103	V27-I29 HydrophobicContact CG1-CG1 4.18Å; I29-L103 HydrophobicContact CB-CD2 4.29Å; I29-L103 HydrophobicContact CG1-CD2 4.02Å; I29-L103 HydrophobicContact CG2-CD2 3.97Å
30	E	98.5	Very high	91	Very high	60 Å²	60	105.6 Å²	105.6	28%	0.28	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	121.1	172.9	-68.3	173.4	-164.5	0	0	109	K28 L32 R101 K102	K28-E30 WeakPolarHBondContact CE-OE1 3.39Å; K28-E30 IonicContact NZ-OE1 2.7Å; K28-E30 PolarHBondContact NZ-OE1 2.92Å; E30-L32 PolarHBondContact O-N 3.28Å; E30-R101 CarbonylContact O-C 3.56Å; E30-R101 WeakPolarHBondContact O-CA 3.26Å; E30-K102 HydrophobicContact CB-CB 4.19Å; E30-K102 PolarHBondContact N-O 3.13Å; E30-K102 PolarHBondContact O-N 2.82Å; E30-K102 IonicContact OE2-NZ 3.95Å
31	V	98.4	Very high	92.8	Very high	66 Å²	66	107.7 Å²	107.7	40%	0.4	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	112	175.4	-173.7	0	0	0	0	109.2	K34 E99 R101	V31-K34 HydrophobicContact CG1-CD 4.22Å; V31-K34 HydrophobicContact CG1-CG 3.58Å; V31-E99 HydrophobicContact CG1-CG 3.82Å; V31-R101 HydrophobicContact CG2-CG 4.27Å
32	L	98.1	Very high	94.2	Very high	96 Å²	96	99.9 Å²	99.9	50%	0.503	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-34.6	-176.1	-55.8	-178	0	0	0	112.2	E30 K100 K102	E30-L32 PolarHBondContact O-N 3.28Å; L32-K100 HydrophobicContact CB-CB 4.12Å; L32-K100 PolarHBondContact N-O 3.34Å; L32-K102 HydrophobicContact CD1-CB 4.07Å; L32-K102 HydrophobicContact CD2-CB 3.98Å; L32-K102 HydrophobicContact CG-CB 4.09Å
33	Q	97.9	Very high	95	Very high	105 Å²	105	96.5 Å²	96.5	49%	0.491	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	143.4	-178.7	179.4	179.4	-26.9	0	0	109.4	E99 K100	Q33-E99 CarbonylContact O-C 3.56Å; Q33-E99 VanDerWaalsContact O-CA 3.28Å; Q33-E99 WeakPolarHBondContact O-CA 3.4Å; Q33-E99 VanDerWaalsContact O-CG 3.26Å; Q33-E99 WeakPolarHBondContact O-CG 3.45Å; Q33-K100 HydrophobicContact CB-CB 4.02Å; Q33-K100 HydrophobicContact CB-CD 4.11Å; Q33-K100 HydrophobicContact CB-CG 3.93Å; Q33-K100 PolarHBondContact N-O 3.26Å; Q33-K100 PolarHBondContact O-N 2.87Å
34	K	97	Very high	95.3	Very high	138 Å²	138	92.6 Å²	92.6	60%	0.6	45%	0.452	S	S	*	.			trans	-123.9	150.1	170.8	-74.8	-170.4	174.5	-178.9	0	110.7	V31 E99	V31-K34 HydrophobicContact CG1-CD 4.22Å; V31-K34 HydrophobicContact CG1-CG 3.58Å; K34-E99 HydrophobicContact CG-CG 4.11Å
35	P	96.6	Very high	95.3	Very high	39 Å²	39	85.1 Å²	85.1	25%	0.253	42%	0.417	S	S	.	.			trans	-67.2	157.5	170.7	33	-38.6	0	0	0	110.8	I37 C38 C96 V97	P35-I37 VanDerWaalsContact C-N 3.31Å; P35-I37 WeakPolarHBondContact CB-O 3.49Å; P35-I37 PolarHBondContact O-N 3.29Å; P35-C38 HydrophobicContact CG-CB 4.41Å; P35-C96 HydrophobicContact CG-CB 3.71Å; P35-V97 WeakPolarHBondContact CB-O 3.12Å; P35-V97 VanDerWaalsContact CG-O 3.32Å; P35-V97 WeakPolarHBondContact CG-O 3.16Å
36	F	96.1	Very high	95.4	Very high	209 Å²	209	82.9 Å²	82.9	92%	0.917	40%	0.403	S	S	*	.	S	Bend	trans	-63.3	-38.5	175	-176.6	-107	0	0	0	111.9
37	I	96.6	Very high	95.4	Very high	100 Å²	100	77.4 Å²	77.4	51%	0.513	38%	0.378	S	S	.	.			trans	-125.4	134.7	175.7	-61.5	165.5	0	0	0	108.7	P35 H39	P35-I37 VanDerWaalsContact C-N 3.31Å; P35-I37 WeakPolarHBondContact CB-O 3.49Å; P35-I37 PolarHBondContact O-N 3.29Å; I37-H39 VanDerWaalsContact CG2-CE1 3.46Å; I37-H39 WeakPolarHBondContact CG2-CE1 3.18Å; I37-H39 WeakPolarHBondContact CG2-NE2 3.25Å
38	C	97.2	Very high	95.4	Very high	52 Å²	52	76.7 Å²	76.7	35%	0.351	37%	0.374	S	S	.	.			trans	-116.3	105.2	173.8	177.1	0	0	0	0	109.9	P35 R40 C96	P35-C38 HydrophobicContact CG-CB 4.41Å; C38-R40 PolarHBondContact SG-O 2.7Å; C38-R40 VanDerWaalsContact SG-O 3.41Å; C38-C96 HydrophobicContact CB-CB 3.71Å; C38-C96 WeakPolarHBondContact CB-SG 3.32Å; C38-C96 WeakPolarHBondContact SG-CB 3.15Å; C38-C96 CovalentContact SG-SG 2.02Å; C38-C96 PolarHBondContact SG-SG 3.06Å
39	H	94.8	Very high	95.4	Very high	173 Å²	173	72.1 Å²	72.1	80%	0.801	36%	0.355	S	S	*	.	S	Bend	trans	-82.9	-32.3	-179.3	-65.4	-73.5	0	0	0	113.4	I37	I37-H39 VanDerWaalsContact CG2-CE1 3.46Å; I37-H39 WeakPolarHBondContact CG2-CE1 3.18Å; I37-H39 WeakPolarHBondContact CG2-NE2 3.25Å
40	R	94.5	Very high	95.3	Very high	83 Å²	83	68.4 Å²	68.4	31%	0.313	34%	0.336	S	S	.	.			trans	-141.2	139.9	-178.3	177.5	-180	175.3	162	4.4	109.1	C38 D46 I134 N136	C38-R40 PolarHBondContact SG-O 2.7Å; C38-R40 VanDerWaalsContact SG-O 3.41Å; R40-D46 IonicContact CZ-OD1 3.49Å; R40-D46 IonicContact NE-OD2 3.26Å; R40-D46 VanDerWaalsContact NH2-CG 3.27Å; R40-D46 IonicContact NH2-OD1 2.91Å; R40-D46 PolarHBondContact NH2-OD1 2.71Å; R40-D46 IonicContact NH2-OD2 2.68Å; R40-D46 PolarHBondContact NH2-OD2 2.64Å; R40-I134 HydrophobicContact CG-CD1 4.23Å; R40-I134 VanDerWaalsContact NE-CG2 3.31Å; R40-N136 VanDerWaalsContact CZ-OD1 3.25Å; R40-N136 PolarHBondContact NH1-OD1 3.36Å; R40-N136 PolarHBondContact NH2-OD1 3.04Å
41	K	97	Very high	95.3	Very high	132 Å²	132	66.9 Å²	66.9	57%	0.574	33%	0.329	S	S	*	.	B	Isolated β-bridge	trans	-109.5	147.2	171.2	-73.8	-177.1	179.4	176.4	0	110.2	M95	K41-M95 CarbonylContact C-O 3.6Å; K41-M95 VanDerWaalsContact CA-O 3.31Å; K41-M95 WeakPolarHBondContact CA-O 3.49Å
42	T	95.8	Very high	95.3	Very high	6 Å²	6	65.3 Å²	65.3	4%	0.037	32%	0.316	C	S	.	.			trans	-64.3	137.9	176	55.5	0	0	0	0	112	D46 M48 L92 G94 M95 L131 I134	T42-D46 WeakPolarHBondContact CA-OD2 3.43Å; T42-M48 HydrophobicContact CG2-CE 3.74Å; T42-M48 HydrophobicContact CG2-CG 3.9Å; T42-M48 HydrophobicContact CG2-SD 3.71Å; T42-L92 PolarHBondContact OG1-O 2.94Å; T42-G94 PolarHBondContact O-N 2.86Å; T42-G94 PolarHBondContact OG1-N 3.4Å; T42-M95 HydrophobicContact CG2-CB 4.19Å; T42-M95 PolarHBondContact N-O 3.06Å; T42-M95 PolarHBondContact OG1-N 3.41Å; T42-L131 HydrophobicContact CG2-CD2 3.61Å; T42-I134 HydrophobicContact CG2-CD1 3.59Å; T42-I134 HydrophobicContact CG2-CG1 3.82Å; T42-I134 HydrophobicContact CG2-CG2 4.47Å
43	K	92.1	Very high	95.4	Very high	81 Å²	81	63.5 Å²	63.5	35%	0.352	31%	0.305	S	S	.	.			trans	-132	170.1	172.5	64.5	-172.7	179.2	-166.9	0	110.6	G45 D46 E142	K43-G45 PolarHBondContact O-N 2.89Å; K43-D46 PolarHBondContact N-OD2 3.36Å; K43-D46 WeakPolarHBondContact O-CB 3.28Å; K43-D46 PolarHBondContact O-N 2.89Å; K43-E142 IonicContact NZ-OE1 2.71Å; K43-E142 PolarHBondContact NZ-OE1 2.02Å; K43-E142 IonicContact NZ-OE2 3.98Å; K43-E142 PolarHBondContact NZ-OE2 3.41Å
44	G	88.8	Confident	95.4	Very high	31 Å²	31	58.5 Å²	58.5	32%	0.32	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	137.8	175	0	0	0	0	0	111.3	D46 L79	G44-D46 VanDerWaalsContact C-N 3.33Å; G44-L79 CarbonylContact C-O 3.56Å; G44-L79 WeakPolarHBondContact CA-O 3.43Å
45	G	86.1	Confident	95.5	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.01	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	-8.9	-175.9	0	0	0	0	0	115.2	K43 L79 G137	K43-G45 PolarHBondContact O-N 2.89Å; G45-L79 PolarHBondContact N-O 2.85Å; G45-G137 WeakPolarHBondContact O-CA 3.36Å; G45-G137 PolarHBondContact O-N 2.72Å; G45-G137 VanDerWaalsContact O-N 3.09Å
46	D	91.8	Very high	95.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	138.7	175.7	-76.2	-9.9	0	0	0	111.4	R40 T42 K43 G44 T78 L79 I134 R135	R40-D46 IonicContact CZ-OD1 3.49Å; R40-D46 IonicContact NE-OD2 3.26Å; R40-D46 VanDerWaalsContact NH2-CG 3.27Å; R40-D46 IonicContact NH2-OD1 2.91Å; R40-D46 PolarHBondContact NH2-OD1 2.71Å; R40-D46 IonicContact NH2-OD2 2.68Å; R40-D46 PolarHBondContact NH2-OD2 2.64Å; T42-D46 WeakPolarHBondContact CA-OD2 3.43Å; K43-D46 PolarHBondContact N-OD2 3.36Å; K43-D46 WeakPolarHBondContact O-CB 3.28Å; K43-D46 PolarHBondContact O-N 2.89Å; G44-D46 VanDerWaalsContact C-N 3.33Å; D46-T78 WeakPolarHBondContact O-CA 3.26Å; D46-L79 PolarHBondContact O-N 3.43Å; D46-I134 HydrophobicContact CB-CG2 3.88Å; D46-I134 WeakPolarHBondContact OD2-CG2 3.46Å; D46-R135 WeakPolarHBondContact CA-O 3.2Å
47	L	93.3	Very high	95.6	Very high	41 Å²	41	47.7 Å²	47.7	22%	0.215	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	121.8	164.3	-81.8	171.7	0	0	0	109.6	W76 T78 I134 R135	L47-W76 HydrophobicContact CB-CE3 3.84Å; L47-W76 HydrophobicContact CB-CZ3 4.04Å; L47-W76 HydrophobicContact CD2-CB 4.49Å; L47-T78 WeakPolarHBondContact CD2-OG1 3.4Å; L47-I134 CarbonylContact O-C 3.53Å; L47-I134 WeakPolarHBondContact O-CA 3.37Å; L47-R135 HydrophobicContact CB-CB 4.05Å; L47-R135 PolarHBondContact N-O 2.86Å; L47-R135 PolarHBondContact O-N 2.75Å
48	M	96.1	Very high	95.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	121	179.9	-61	179.9	57.6	0	0	109.7	T42 V50 W76 F77 L79 L92 M95 L131	T42-M48 HydrophobicContact CG2-CE 3.74Å; T42-M48 HydrophobicContact CG2-CG 3.9Å; T42-M48 HydrophobicContact CG2-SD 3.71Å; M48-V50 HydrophobicContact CB-CG1 4.04Å; M48-V50 HydrophobicContact CE-CG1 4.24Å; M48-W76 CarbonylContact O-C 3.56Å; M48-W76 WeakPolarHBondContact O-CA 3.18Å; M48-F77 PolarHBondContact N-O 3.49Å; M48-F77 PolarHBondContact O-N 2.81Å; M48-F77 HydrophobicContact SD-CD1 4.37Å; M48-L79 HydrophobicContact SD-CB 3.9Å; M48-L79 HydrophobicContact SD-CD1 4.42Å; M48-L79 HydrophobicContact SD-CD2 4.02Å; M48-L79 HydrophobicContact SD-CG 4.34Å; M48-L92 HydrophobicContact CE-CB 4Å; M48-L92 HydrophobicContact CE-CD1 4.25Å; M48-L92 HydrophobicContact CE-CD2 4.48Å; M48-L92 HydrophobicContact CE-CG 4.49Å; M48-L92 HydrophobicContact SD-CB 4.2Å; M48-M95 HydrophobicContact CE-SD 4.35Å; M48-L131 HydrophobicContact CB-CD1 3.91Å; M48-L131 HydrophobicContact CE-CD1 3.7Å; M48-L131 HydrophobicContact CE-CD2 4.01Å; M48-L131 HydrophobicContact CE-CG 4.38Å; M48-L131 HydrophobicContact CG-CD1 4.29Å
49	L	97.4	Very high	95.7	Very high	24 Å²	24	55.5 Å²	55.5	13%	0.126	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	116.6	168	-171.3	62.9	0	0	0	108.2	P74 I75 W76 L132 E133	L49-P74 HydrophobicContact CD1-CB 3.78Å; L49-P74 HydrophobicContact CD1-CG 3.67Å; L49-P74 HydrophobicContact CD2-CG 4.05Å; L49-P74 HydrophobicContact CG-CB 3.94Å; L49-P74 HydrophobicContact CG-CG 3.87Å; L49-I75 WeakPolarHBondContact CA-O 3.47Å; L49-W76 HydrophobicContact CB-CD2 4.24Å; L49-W76 HydrophobicContact CB-CE3 3.93Å; L49-W76 HydrophobicContact CB-CH2 3.71Å; L49-W76 HydrophobicContact CB-CZ2 4.02Å; L49-W76 HydrophobicContact CB-CZ3 3.67Å; L49-W76 HydrophobicContact CD1-CD2 3.9Å; L49-W76 HydrophobicContact CD1-CE3 4.44Å; L49-W76 HydrophobicContact CD1-CG 4.19Å; L49-W76 HydrophobicContact CD1-CZ2 4.03Å; L49-W76 HydrophobicContact CD2-CH2 4.49Å; L49-W76 HydrophobicContact CD2-CZ2 4.22Å; L49-W76 HydrophobicContact CG-CH2 4.47Å; L49-W76 HydrophobicContact CG-CZ2 4.31Å; L49-L132 HydrophobicContact CB-CB 4.31Å; L49-L132 HydrophobicContact CD2-CB 4.16Å; L49-L132 HydrophobicContact CG-CB 4.2Å; L49-L132 WeakPolarHBondContact O-CB 3.33Å; L49-L132 PolarHBondContact O-N 3.23Å; L49-E133 HydrophobicContact CB-CB 3.72Å; L49-E133 HydrophobicContact CD2-CB 4.16Å; L49-E133 PolarHBondContact N-O 2.94Å; L49-E133 PolarHBondContact O-N 2.79Å
50	V	98.2	Very high	95.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	142.2	-174.2	-61.9	0	0	0	0	112.9	M48 P74 I75 W88 I129 D130 L131	M48-V50 HydrophobicContact CB-CG1 4.04Å; M48-V50 HydrophobicContact CE-CG1 4.24Å; V50-P74 WeakPolarHBondContact O-CA 3.41Å; V50-P74 VanDerWaalsContact O-CB 3.29Å; V50-P74 WeakPolarHBondContact O-CB 3.14Å; V50-I75 HydrophobicContact CG2-CG1 3.96Å; V50-I75 PolarHBondContact N-O 3.46Å; V50-I75 PolarHBondContact O-N 2.88Å; V50-W88 HydrophobicContact CG2-CH2 4.31Å; V50-W88 HydrophobicContact CG2-CZ3 4.13Å; V50-I129 HydrophobicContact CB-CG2 4.02Å; V50-I129 HydrophobicContact CG1-CG2 3.99Å; V50-D130 VanDerWaalsContact CA-O 3.25Å; V50-D130 WeakPolarHBondContact CA-O 3.4Å; V50-L131 HydrophobicContact CG1-CD1 4.03Å
51	H	98.4	Very high	96	Very high	27 Å²	27	47.8 Å²	47.8	13%	0.125	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	144.3	153.3	-87.4	-49.1	0	0	0	108.9	T66 H67 G72 Q73 I129 D130 L132	H51-T66 WeakPolarHBondContact CA-OG1 3.49Å; H51-T66 WeakPolarHBondContact ND1-CB 3.49Å; H51-T66 PolarHBondContact ND1-OG1 3.26Å; H51-H67 AromaticContact CD2-CE1 3.36Å; H51-H67 PolarHBondContact CD2-CE1 3.08Å; H51-H67 AromaticContact CD2-NE2 3.88Å; H51-H67 AromaticContact CE1-CE1 3.5Å; H51-H67 AromaticContact CE1-ND1 3.7Å; H51-H67 AromaticContact CG-CE1 3.45Å; H51-H67 VanDerWaalsContact CG-CE1 3.45Å; H51-H67 AromaticContact CG-NE2 3.6Å; H51-H67 AromaticContact ND1-CE1 3.54Å; H51-H67 AromaticContact ND1-ND1 3.93Å; H51-H67 AromaticContact ND1-NE2 3.88Å; H51-H67 AromaticContact NE2-CE1 3.4Å; H51-H67 PolarHBondContact NE2-CE1 3.31Å; H51-H67 AromaticContact NE2-ND1 3.92Å; H51-G72 PolarHBondContact CE1-O 2.79Å; H51-Q73 VanDerWaalsContact CE1-C 3.49Å; H51-I129 WeakPolarHBondContact O-CA 3.33Å; H51-D130 HydrophobicContact CB-CB 4.23Å; H51-D130 PolarHBondContact N-O 2.96Å; H51-D130 PolarHBondContact O-N 3.19Å; H51-L132 HydrophobicContact CB-CD1 4.13Å
52	Y	98.3	Very high	96	Very high	33 Å²	33	43.9 Å²	43.9	13%	0.129	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	160.3	173.5	75	-88.5	0	0	0	113.4	H64 S65 T66 I75 W88 F127 N128	Y52-H64 HydrophobicContact CE2-CB 4.41Å; Y52-H64 AromaticContact CE2-ND1 3.53Å; Y52-H64 AromaticContact CZ-CE1 3.98Å; Y52-H64 AromaticContact CZ-ND1 3.37Å; Y52-H64 PolarHBondContact OH-CE1 3.03Å; Y52-H64 VanDerWaalsContact OH-CE1 3.24Å; Y52-H64 PolarHBondContact OH-ND1 3.06Å; Y52-S65 VanDerWaalsContact O-CA 3.29Å; Y52-S65 WeakPolarHBondContact O-CA 3.23Å; Y52-T66 HydrophobicContact CD1-CG2 3.53Å; Y52-T66 HydrophobicContact CE1-CG2 3.51Å; Y52-T66 HydrophobicContact CG-CG2 4.4Å; Y52-T66 PolarHBondContact N-OG1 3.08Å; Y52-T66 PolarHBondContact O-N 2.93Å; Y52-T66 PolarHBondContact O-OG1 2.95Å; Y52-I75 HydrophobicContact CD1-CD1 4.18Å; Y52-I75 HydrophobicContact CD1-CG1 4.26Å; Y52-I75 HydrophobicContact CE1-CD1 3.52Å; Y52-I75 HydrophobicContact CE1-CG1 3.93Å; Y52-W88 AromaticContact CD1-CH2 3.67Å; Y52-W88 HydrophobicContact CD1-CH2 3.67Å; Y52-W88 HydrophobicContact CD1-CZ2 4.21Å; Y52-W88 HydrophobicContact CD2-CH2 4.43Å; Y52-W88 HydrophobicContact CD2-CZ2 4.15Å; Y52-W88 HydrophobicContact CE1-CH2 4.02Å; Y52-W88 AromaticContact CG-CH2 3.88Å; Y52-W88 HydrophobicContact CG-CH2 3.88Å; Y52-W88 AromaticContact CG-CZ2 3.98Å; Y52-W88 HydrophobicContact CG-CZ2 3.98Å; Y52-F127 AromaticContact CD2-CD1 3.81Å; Y52-F127 HydrophobicContact CD2-CD1 3.81Å; Y52-F127 AromaticContact CD2-CE1 3.81Å; Y52-F127 HydrophobicContact CD2-CE1 3.81Å; Y52-F127 HydrophobicContact CE2-CD1 4.41Å; Y52-F127 AromaticContact CE2-CE1 3.94Å; Y52-F127 HydrophobicContact CE2-CE1 3.94Å; Y52-N128 CarbonylContact C-O 3.59Å; Y52-N128 WeakPolarHBondContact CA-O 3.41Å; Y52-N128 WeakPolarHBondContact CB-O 3.44Å
53	E	98.4	Very high	96.1	Very high	58 Å²	58	44.4 Å²	44.4	27%	0.271	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	131.4	169.7	-56.3	-177.4	135.7	0	0	108.4	Y55 L62 F127 N128	E53-Y55 HydrophobicContact CB-CD2 4.45Å; E53-Y55 HydrophobicContact CB-CE2 3.47Å; E53-Y55 VanDerWaalsContact CB-CE2 3.47Å; E53-Y55 PolarHBondContact OE2-OH 3.17Å; E53-L62 HydrophobicContact CB-CD1 4.08Å; E53-F127 CarbonylContact O-C 3.56Å; E53-F127 VanDerWaalsContact O-CA 3.26Å; E53-F127 WeakPolarHBondContact O-CA 3.44Å; E53-N128 PolarHBondContact N-O 2.73Å; E53-N128 PolarHBondContact O-N 2.77Å
54	G	98.5	Very high	96.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	129.3	-178.9	0	0	0	0	0	111.2	L62 F63 H64 I126	G54-L62 WeakPolarHBondContact O-CD1 3.27Å; G54-F63 VanDerWaalsContact CA-CZ 3.43Å; G54-F63 VanDerWaalsContact O-CD1 3.23Å; G54-F63 WeakPolarHBondContact O-CD1 3.46Å; G54-F63 WeakPolarHBondContact O-CE1 3.3Å; G54-F63 WeakPolarHBondContact O-CG 3.45Å; G54-F63 PolarHBondContact O-N 2.86Å; G54-H64 PolarHBondContact N-O 2.9Å; G54-H64 PolarHBondContact O-N 3.41Å; G54-I126 CarbonylContact C-O 3.55Å; G54-I126 WeakPolarHBondContact CA-O 3.21Å
55	Y	98.6	Very high	96.8	Very high	53 Å²	53	41.7 Å²	41.7	21%	0.208	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	150.6	-176.3	-54.3	-95.2	0	0	0	112.1	E53 G60 S61 L62 F63 L125 I126	E53-Y55 HydrophobicContact CB-CD2 4.45Å; E53-Y55 HydrophobicContact CB-CE2 3.47Å; E53-Y55 VanDerWaalsContact CB-CE2 3.47Å; E53-Y55 PolarHBondContact OE2-OH 3.17Å; Y55-G60 WeakPolarHBondContact CD1-O 3.22Å; Y55-S61 CarbonylContact C-O 3.58Å; Y55-S61 WeakPolarHBondContact CA-O 3.45Å; Y55-L62 HydrophobicContact CD1-CB 3.95Å; Y55-L62 HydrophobicContact CD1-CD1 3.91Å; Y55-L62 HydrophobicContact CE1-CB 3.83Å; Y55-L62 HydrophobicContact CE1-CD1 3.43Å; Y55-L62 VanDerWaalsContact CE1-CD1 3.43Å; Y55-L62 HydrophobicContact CE1-CG 4.23Å; Y55-L62 HydrophobicContact CE2-CD1 4.09Å; Y55-L62 HydrophobicContact CG-CD1 4.42Å; Y55-F63 WeakPolarHBondContact O-CE1 3.38Å; Y55-L125 WeakPolarHBondContact O-CA 3.37Å; Y55-I126 PolarHBondContact N-O 3.49Å; Y55-I126 PolarHBondContact O-N 3.49Å
56	L	98.5	Very high	97.3	Very high	14 Å²	14	41.7 Å²	41.7	7%	0.073	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	128	165.9	-59.6	-179	0	0	0	109	K58 G60 S61 F63 I119 P120 L125	L56-K58 PolarHBondContact O-N 2.87Å; L56-G60 VanDerWaalsContact O-CA 3.22Å; L56-G60 WeakPolarHBondContact O-CA 3.16Å; L56-G60 PolarHBondContact O-N 2.89Å; L56-S61 PolarHBondContact N-O 2.8Å; L56-F63 HydrophobicContact CD2-CD1 4.04Å; L56-F63 HydrophobicContact CG-CD1 4.27Å; L56-I119 HydrophobicContact CD2-CB 4.45Å; L56-I119 HydrophobicContact CD2-CG1 4.36Å; L56-I119 HydrophobicContact CD2-CG2 4.03Å; L56-P120 HydrophobicContact CD1-CG 4.33Å; L56-L125 HydrophobicContact CD2-CD2 3.94Å
57	E	98.2	Very high	97.5	Very high	93 Å²	93	46 Å²	46	44%	0.435	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-36.1	179.2	-178.6	176.9	-111.9	0	0	111.9	D59 I104 T124 I126	E57-D59 VanDerWaalsContact C-N 3.33Å; E57-D59 PolarHBondContact O-N 3.04Å; E57-I104 WeakPolarHBondContact OE1-CG2 3.47Å; E57-T124 HydrophobicContact CB-CG2 4.06Å; E57-T124 WeakPolarHBondContact CB-O 3.35Å; E57-T124 HydrophobicContact CG-CG2 4.46Å; E57-T124 PolarHBondContact N-O 3.47Å; E57-T124 VanDerWaalsContact OE2-CB 3.28Å; E57-T124 WeakPolarHBondContact OE2-CB 3.44Å; E57-T124 VanDerWaalsContact OE2-CG2 3.25Å; E57-T124 WeakPolarHBondContact OE2-CG2 3.44Å; E57-I126 HydrophobicContact CB-CD1 4.07Å; E57-I126 HydrophobicContact CB-CG1 4.14Å; E57-I126 HydrophobicContact CG-CD1 4.05Å; E57-I126 HydrophobicContact CG-CG1 4.49Å
58	K	97.1	Very high	97.6	Very high	207 Å²	207	51.6 Å²	51.6	90%	0.9	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-39.2	-172.7	-177	179.3	177.4	-179	0	113.9	L56	L56-K58 PolarHBondContact O-N 2.87Å
59	D	97.2	Very high	97.6	Very high	109 Å²	109	55.2 Å²	55.2	58%	0.583	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.2	-2	-174.9	64	6.7	0	0	0	113.8	E57 S61	E57-D59 VanDerWaalsContact C-N 3.33Å; E57-D59 PolarHBondContact O-N 3.04Å; D59-S61 PolarHBondContact O-N 3.32Å; D59-S61 WeakPolarHBondContact OD1-CB 3.49Å; D59-S61 PolarHBondContact OD1-N 2.87Å; D59-S61 PolarHBondContact OD1-OG 2.99Å; D59-S61 PolarHBondContact OD2-OG 2.9Å
60	G	97.8	Very high	97.4	Very high	48 Å²	48	56.8 Å²	56.8	50%	0.495	28%	0.281	S	S	.	.			trans	70.7	10.8	-177.4	0	0	0	0	0	114	Y55 L56	Y55-G60 WeakPolarHBondContact CD1-O 3.22Å; L56-G60 VanDerWaalsContact O-CA 3.22Å; L56-G60 WeakPolarHBondContact O-CA 3.16Å; L56-G60 PolarHBondContact O-N 2.89Å
61	S	97.9	Very high	97.2	Very high	45 Å²	45	64 Å²	64	32%	0.315	32%	0.319	S	S	.	.			trans	-69.7	135.2	-178.6	64.8	0	0	0	0	111.5	Y55 L56 D59 F63	Y55-S61 CarbonylContact C-O 3.58Å; Y55-S61 WeakPolarHBondContact CA-O 3.45Å; L56-S61 PolarHBondContact N-O 2.8Å; D59-S61 PolarHBondContact O-N 3.32Å; D59-S61 WeakPolarHBondContact OD1-CB 3.49Å; D59-S61 PolarHBondContact OD1-N 2.87Å; D59-S61 PolarHBondContact OD1-OG 2.99Å; D59-S61 PolarHBondContact OD2-OG 2.9Å; S61-F63 PolarHBondContact O-N 2.86Å
62	L	98.2	Very high	97	Very high	50 Å²	50	64.2 Å²	64.2	26%	0.262	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	116	175.3	-178.8	78	0	0	0	109.6	E53 G54 Y55 H64 K68	E53-L62 HydrophobicContact CB-CD1 4.08Å; G54-L62 WeakPolarHBondContact O-CD1 3.27Å; Y55-L62 HydrophobicContact CD1-CB 3.95Å; Y55-L62 HydrophobicContact CD1-CD1 3.91Å; Y55-L62 HydrophobicContact CE1-CB 3.83Å; Y55-L62 HydrophobicContact CE1-CD1 3.43Å; Y55-L62 VanDerWaalsContact CE1-CD1 3.43Å; Y55-L62 HydrophobicContact CE1-CG 4.23Å; Y55-L62 HydrophobicContact CE2-CD1 4.09Å; Y55-L62 HydrophobicContact CG-CD1 4.42Å; L62-H64 WeakPolarHBondContact CD1-O 3.41Å; L62-K68 HydrophobicContact CD2-CD 3.9Å
63	F	97.4	Very high	96.9	Very high	17 Å²	17	68.2 Å²	68.2	8%	0.075	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-35	174.6	63.9	-103.5	0	0	0	112.3	G54 Y55 L56 S61 K118 I119 L125 F127	G54-F63 VanDerWaalsContact CA-CZ 3.43Å; G54-F63 VanDerWaalsContact O-CD1 3.23Å; G54-F63 WeakPolarHBondContact O-CD1 3.46Å; G54-F63 WeakPolarHBondContact O-CE1 3.3Å; G54-F63 WeakPolarHBondContact O-CG 3.45Å; G54-F63 PolarHBondContact O-N 2.86Å; Y55-F63 WeakPolarHBondContact O-CE1 3.38Å; L56-F63 HydrophobicContact CD2-CD1 4.04Å; L56-F63 HydrophobicContact CG-CD1 4.27Å; S61-F63 PolarHBondContact O-N 2.86Å; F63-K118 HydrophobicContact CB-CB 4.09Å; F63-K118 WeakPolarHBondContact O-CD 3Å; F63-K118 PolarHBondContact O-NZ 2.64Å; F63-I119 HydrophobicContact CB-CG1 4.21Å; F63-I119 HydrophobicContact CD1-CD1 4.35Å; F63-I119 HydrophobicContact CD1-CG1 4.13Å; F63-I119 HydrophobicContact CD2-CD1 3.74Å; F63-I119 HydrophobicContact CD2-CG1 4Å; F63-I119 HydrophobicContact CE1-CD1 4.29Å; F63-I119 HydrophobicContact CE1-CG1 4.49Å; F63-I119 HydrophobicContact CE2-CD1 3.73Å; F63-I119 HydrophobicContact CE2-CG1 4.41Å; F63-I119 HydrophobicContact CG-CD1 4.09Å; F63-I119 HydrophobicContact CG-CG1 3.87Å; F63-I119 HydrophobicContact CZ-CD1 4Å; F63-L125 HydrophobicContact CE1-CD2 4.03Å; F63-F127 HydrophobicContact CE2-CE1 4.34Å; F63-F127 HydrophobicContact CE2-CZ 4.14Å; F63-F127 AromaticContact CZ-CE1 3.96Å; F63-F127 HydrophobicContact CZ-CE1 3.96Å; F63-F127 HydrophobicContact CZ-CE2 4.07Å; F63-F127 AromaticContact CZ-CZ 3.57Å; F63-F127 HydrophobicContact CZ-CZ 3.57Å
64	H	97.4	Very high	96.8	Very high	56 Å²	56	66.9 Å²	66.9	26%	0.259	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	151.3	179.5	-162.9	-94	0	0	0	112.3	Y52 G54 L62 H69	Y52-H64 HydrophobicContact CE2-CB 4.41Å; Y52-H64 AromaticContact CE2-ND1 3.53Å; Y52-H64 AromaticContact CZ-CE1 3.98Å; Y52-H64 AromaticContact CZ-ND1 3.37Å; Y52-H64 PolarHBondContact OH-CE1 3.03Å; Y52-H64 VanDerWaalsContact OH-CE1 3.24Å; Y52-H64 PolarHBondContact OH-ND1 3.06Å; G54-H64 PolarHBondContact N-O 2.9Å; G54-H64 PolarHBondContact O-N 3.41Å; L62-H64 WeakPolarHBondContact CD1-O 3.41Å; H64-H69 AromaticContact CD2-CG 3.98Å; H64-H69 WeakPolarHBondContact NE2-CB 3.33Å
65	S	97.6	Very high	96.7	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	133.6	176.3	160.3	0	0	0	0	108.4	Y52 H67 K68 H69	Y52-S65 VanDerWaalsContact O-CA 3.29Å; Y52-S65 WeakPolarHBondContact O-CA 3.23Å; S65-H67 PolarHBondContact O-N 2.85Å; S65-H67 PolarHBondContact OG-N 2.79Å; S65-K68 PolarHBondContact O-N 3.07Å; S65-K68 PolarHBondContact OG-N 3.44Å; S65-H69 PolarHBondContact N-ND1 3.44Å; S65-H69 VanDerWaalsContact O-CB 3.31Å; S65-H69 WeakPolarHBondContact O-CB 3.5Å; S65-H69 PolarHBondContact O-N 3.32Å; S65-H69 PolarHBondContact O-ND1 2.88Å
66	T	96.5	Very high	96.5	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-60.4	-35.2	174.9	44.3	0	0	0	0	111.9	H51 Y52 K68 N70 G72 Q73 I75	H51-T66 WeakPolarHBondContact CA-OG1 3.49Å; H51-T66 WeakPolarHBondContact ND1-CB 3.49Å; H51-T66 PolarHBondContact ND1-OG1 3.26Å; Y52-T66 HydrophobicContact CD1-CG2 3.53Å; Y52-T66 HydrophobicContact CE1-CG2 3.51Å; Y52-T66 HydrophobicContact CG-CG2 4.4Å; Y52-T66 PolarHBondContact N-OG1 3.08Å; Y52-T66 PolarHBondContact O-N 2.93Å; Y52-T66 PolarHBondContact O-OG1 2.95Å; T66-K68 PolarHBondContact O-N 2.91Å; T66-N70 CarbonylContact O-C 3.6Å; T66-N70 WeakPolarHBondContact O-CB 3.36Å; T66-N70 PolarHBondContact O-N 2.83Å; T66-G72 PolarHBondContact O-N 2.95Å; T66-Q73 WeakPolarHBondContact CB-O 3.19Å; T66-I75 HydrophobicContact CG2-CG1 4.29Å; T66-I75 HydrophobicContact CG2-CG2 4.15Å
67	H	96.1	Very high	96.2	Very high	91 Å²	91	71.3 Å²	71.3	42%	0.421	36%	0.364	S	S	.	.	H	α-helix	trans	-66	-41	180	-65	-62.8	0	0	0	112.4	H51 S65 G72	H51-H67 AromaticContact CD2-CE1 3.36Å; H51-H67 PolarHBondContact CD2-CE1 3.08Å; H51-H67 AromaticContact CD2-NE2 3.88Å; H51-H67 AromaticContact CE1-CE1 3.5Å; H51-H67 AromaticContact CE1-ND1 3.7Å; H51-H67 AromaticContact CG-CE1 3.45Å; H51-H67 VanDerWaalsContact CG-CE1 3.45Å; H51-H67 AromaticContact CG-NE2 3.6Å; H51-H67 AromaticContact ND1-CE1 3.54Å; H51-H67 AromaticContact ND1-ND1 3.93Å; H51-H67 AromaticContact ND1-NE2 3.88Å; H51-H67 AromaticContact NE2-CE1 3.4Å; H51-H67 PolarHBondContact NE2-CE1 3.31Å; H51-H67 AromaticContact NE2-ND1 3.92Å; S65-H67 PolarHBondContact O-N 2.85Å; S65-H67 PolarHBondContact OG-N 2.79Å; H67-G72 PolarHBondContact O-N 2.91Å
68	K	96.4	Very high	95.9	Very high	158 Å²	158	67.4 Å²	67.4	69%	0.687	35%	0.346	S	S	*	.	H	α-helix	trans	-92	-35.1	-176.6	-68.3	-171.1	179.5	179.8	0	114.5	L62 S65 T66	L62-K68 HydrophobicContact CD2-CD 3.9Å; S65-K68 PolarHBondContact O-N 3.07Å; S65-K68 PolarHBondContact OG-N 3.44Å; T66-K68 PolarHBondContact O-N 2.91Å
69	H	96.2	Very high	95.7	Very high	77 Å²	77	57.6 Å²	57.6	36%	0.356	30%	0.304	S	S	.	.	H	α-helix	trans	-109.2	-7.2	-168.5	-56.4	92.4	0	0	0	113.5	H64 S65 K118	H64-H69 AromaticContact CD2-CG 3.98Å; H64-H69 WeakPolarHBondContact NE2-CB 3.33Å; S65-H69 PolarHBondContact N-ND1 3.44Å; S65-H69 VanDerWaalsContact O-CB 3.31Å; S65-H69 WeakPolarHBondContact O-CB 3.5Å; S65-H69 PolarHBondContact O-N 3.32Å; S65-H69 PolarHBondContact O-ND1 2.88Å; H69-K118 PolarHBondContact NE2-NZ 2.84Å
70	N	93	Very high	95.4	Very high	56 Å²	56	53.3 Å²	53.3	30%	0.299	29%	0.285	S	S	.	.	S	Bend	trans	-125.3	37.4	179.9	-164	43.1	0	0	0	112.2	T66 G72 Q73 I75	T66-N70 CarbonylContact O-C 3.6Å; T66-N70 WeakPolarHBondContact O-CB 3.36Å; T66-N70 PolarHBondContact O-N 2.83Å; N70-G72 PolarHBondContact O-N 2.79Å; N70-Q73 PolarHBondContact ND2-O 2.91Å; N70-Q73 WeakPolarHBondContact O-CB 3.46Å; N70-Q73 PolarHBondContact O-N 2.82Å; N70-I75 WeakPolarHBondContact ND2-CG2 3.48Å
71	N	94.2	Very high	94.7	Very high	152 Å²	152	51.7 Å²	51.7	81%	0.813	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	31.2	179	-63.2	62.8	0	0	0	114.1	Q73	N71-Q73 PolarHBondContact O-N 2.79Å
72	G	93.9	Very high	94.3	Very high	31 Å²	31	52.4 Å²	52.4	32%	0.32	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	1.4	-176.5	0	0	0	0	0	114.8	H51 T66 H67 N70	H51-G72 PolarHBondContact CE1-O 2.79Å; T66-G72 PolarHBondContact O-N 2.95Å; H67-G72 PolarHBondContact O-N 2.91Å; N70-G72 PolarHBondContact O-N 2.79Å
73	Q	96.2	Very high	93.7	Very high	118 Å²	118	55.3 Å²	55.3	55%	0.551	28%	0.277	S	S	*	.			trans	-88.5	138.7	-176.2	-58.8	-57	-45.3	0	0	111.6	H51 T66 N70 N71	H51-Q73 VanDerWaalsContact CE1-C 3.49Å; T66-Q73 WeakPolarHBondContact CB-O 3.19Å; N70-Q73 PolarHBondContact ND2-O 2.91Å; N70-Q73 WeakPolarHBondContact O-CB 3.46Å; N70-Q73 PolarHBondContact O-N 2.82Å; N71-Q73 PolarHBondContact O-N 2.79Å
74	P	96.9	Very high	93.4	Very high	29 Å²	29	57 Å²	57	19%	0.188	29%	0.294	C	S	.	.			trans	-70	168.8	170.2	32.7	-35.8	0	0	0	110.5	L49 V50 L132	L49-P74 HydrophobicContact CD1-CB 3.78Å; L49-P74 HydrophobicContact CD1-CG 3.67Å; L49-P74 HydrophobicContact CD2-CG 4.05Å; L49-P74 HydrophobicContact CG-CB 3.94Å; L49-P74 HydrophobicContact CG-CG 3.87Å; V50-P74 WeakPolarHBondContact O-CA 3.41Å; V50-P74 VanDerWaalsContact O-CB 3.29Å; V50-P74 WeakPolarHBondContact O-CB 3.14Å; P74-L132 HydrophobicContact CB-CD2 4.1Å; P74-L132 HydrophobicContact CG-CD2 4.15Å
75	I	95.8	Very high	93.3	Very high	52 Å²	52	54.9 Å²	54.9	27%	0.267	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	153.9	176.3	62.3	156.3	0	0	0	111	L49 V50 Y52 T66 N70	L49-I75 WeakPolarHBondContact CA-O 3.47Å; V50-I75 HydrophobicContact CG2-CG1 3.96Å; V50-I75 PolarHBondContact N-O 3.46Å; V50-I75 PolarHBondContact O-N 2.88Å; Y52-I75 HydrophobicContact CD1-CD1 4.18Å; Y52-I75 HydrophobicContact CD1-CG1 4.26Å; Y52-I75 HydrophobicContact CE1-CD1 3.52Å; Y52-I75 HydrophobicContact CE1-CG1 3.93Å; T66-I75 HydrophobicContact CG2-CG1 4.29Å; T66-I75 HydrophobicContact CG2-CG2 4.15Å; N70-I75 WeakPolarHBondContact ND2-CG2 3.48Å
76	W	95.2	Very high	93.1	Very high	103 Å²	103	58.9 Å²	58.9	39%	0.39	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	141.6	167	-70.8	102.8	0	0	0	110.1	L47 M48 L49 E133 R135	L47-W76 HydrophobicContact CB-CE3 3.84Å; L47-W76 HydrophobicContact CB-CZ3 4.04Å; L47-W76 HydrophobicContact CD2-CB 4.49Å; M48-W76 CarbonylContact O-C 3.56Å; M48-W76 WeakPolarHBondContact O-CA 3.18Å; L49-W76 HydrophobicContact CB-CD2 4.24Å; L49-W76 HydrophobicContact CB-CE3 3.93Å; L49-W76 HydrophobicContact CB-CH2 3.71Å; L49-W76 HydrophobicContact CB-CZ2 4.02Å; L49-W76 HydrophobicContact CB-CZ3 3.67Å; L49-W76 HydrophobicContact CD1-CD2 3.9Å; L49-W76 HydrophobicContact CD1-CE3 4.44Å; L49-W76 HydrophobicContact CD1-CG 4.19Å; L49-W76 HydrophobicContact CD1-CZ2 4.03Å; L49-W76 HydrophobicContact CD2-CH2 4.49Å; L49-W76 HydrophobicContact CD2-CZ2 4.22Å; L49-W76 HydrophobicContact CG-CH2 4.47Å; L49-W76 HydrophobicContact CG-CZ2 4.31Å; W76-E133 HydrophobicContact CH2-CB 4.15Å; W76-E133 HydrophobicContact CH2-CG 4.25Å; W76-R135 HydrophobicContact CH2-CB 4.47Å; W76-R135 HydrophobicContact CH2-CG 3.77Å; W76-R135 HydrophobicContact CZ3-CB 4.28Å; W76-R135 HydrophobicContact CZ3-CG 4.05Å
77	F	92.3	Very high	93.2	Very high	6 Å²	6	58.9 Å²	58.9	3%	0.026	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	133.9	176	167	-106.6	0	0	0	109.2	M48 L79 E83 A84 W88 D89 L92	M48-F77 PolarHBondContact N-O 3.49Å; M48-F77 PolarHBondContact O-N 2.81Å; M48-F77 HydrophobicContact SD-CD1 4.37Å; F77-L79 HydrophobicContact CE1-CB 4.31Å; F77-L79 HydrophobicContact CE1-CD1 4.03Å; F77-E83 HydrophobicContact CD2-CB 4.47Å; F77-E83 HydrophobicContact CE2-CB 4.13Å; F77-A84 HydrophobicContact CD2-CB 3.89Å; F77-A84 HydrophobicContact CE2-CB 3.46Å; F77-A84 VanDerWaalsContact CE2-CB 3.46Å; F77-A84 HydrophobicContact CZ-CB 4.41Å; F77-W88 HydrophobicContact CB-CZ3 4.29Å; F77-W88 AromaticContact CD1-CE3 3.89Å; F77-W88 HydrophobicContact CD1-CE3 3.89Å; F77-W88 HydrophobicContact CD1-CZ3 4.3Å; F77-W88 HydrophobicContact CD2-CE3 4.08Å; F77-W88 HydrophobicContact CD2-CZ3 4.4Å; F77-W88 HydrophobicContact CE1-CB 4.37Å; F77-W88 HydrophobicContact CE1-CE3 4Å; F77-W88 HydrophobicContact CE2-CE3 4.2Å; F77-W88 AromaticContact CG-CE3 3.92Å; F77-W88 HydrophobicContact CG-CE3 3.92Å; F77-W88 HydrophobicContact CG-CZ3 4.06Å; F77-W88 HydrophobicContact CZ-CB 4.04Å; F77-W88 HydrophobicContact CZ-CE3 4.15Å; F77-D89 WeakPolarHBondContact CZ-OD1 3.27Å; F77-L92 HydrophobicContact CD1-CD1 4.16Å; F77-L92 HydrophobicContact CE1-CD1 3.96Å
78	T	91.8	Very high	93.2	Very high	11 Å²	11	55 Å²	55	7%	0.067	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	120.3	177.5	-42.2	0	0	0	0	109.8	D46 L47 I81 E83	D46-T78 WeakPolarHBondContact O-CA 3.26Å; L47-T78 WeakPolarHBondContact CD2-OG1 3.4Å; T78-I81 HydrophobicContact CG2-CD1 3.74Å; T78-I81 HydrophobicContact CG2-CG1 3.92Å; T78-I81 HydrophobicContact CG2-CG2 4.46Å; T78-I81 WeakPolarHBondContact O-CG1 3.13Å; T78-E83 WeakPolarHBondContact CA-OE2 3.41Å; T78-E83 WeakPolarHBondContact CB-OE2 3.34Å; T78-E83 PolarHBondContact N-OE2 3.37Å; T78-E83 PolarHBondContact OG1-OE2 3.35Å
79	L	92.9	Very high	93.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	137.7	-174.8	-179.4	62.1	0	0	0	112.6	G44 G45 D46 M48 F77 L92 K93	G44-L79 CarbonylContact C-O 3.56Å; G44-L79 WeakPolarHBondContact CA-O 3.43Å; G45-L79 PolarHBondContact N-O 2.85Å; D46-L79 PolarHBondContact O-N 3.43Å; M48-L79 HydrophobicContact SD-CB 3.9Å; M48-L79 HydrophobicContact SD-CD1 4.42Å; M48-L79 HydrophobicContact SD-CD2 4.02Å; M48-L79 HydrophobicContact SD-CG 4.34Å; F77-L79 HydrophobicContact CE1-CB 4.31Å; F77-L79 HydrophobicContact CE1-CD1 4.03Å; L79-L92 HydrophobicContact CD1-CB 3.9Å; L79-K93 HydrophobicContact CD1-CG 4.49Å; L79-K93 HydrophobicContact CD2-CG 4.08Å
80	G	89.2	Confident	93.1	Very high	19 Å²	19	48.4 Å²	48.4	20%	0.196	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	15.6	163.9	0	0	0	0	0	114.8	D89	G80-D89 VanDerWaalsContact C-OD2 3.26Å; G80-D89 VanDerWaalsContact CA-CG 3.45Å; G80-D89 VanDerWaalsContact CA-OD2 3.27Å; G80-D89 WeakPolarHBondContact CA-OD2 3.42Å; G80-D89 VanDerWaalsContact N-CG 3.33Å; G80-D89 PolarHBondContact N-OD1 3.27Å
81	I	84.8	Confident	93.3	Very high	15 Å²	15	45.8 Å²	45.8	8%	0.077	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	14	-177.4	63.9	147.8	0	0	0	112.9	T78 E83 D89 R139	T78-I81 HydrophobicContact CG2-CD1 3.74Å; T78-I81 HydrophobicContact CG2-CG1 3.92Å; T78-I81 HydrophobicContact CG2-CG2 4.46Å; T78-I81 WeakPolarHBondContact O-CG1 3.13Å; I81-E83 HydrophobicContact CD1-CB 3.83Å; I81-E83 HydrophobicContact CG1-CB 3.93Å; I81-E83 PolarHBondContact O-N 3.05Å; I81-E83 VanDerWaalsContact O-N 3.17Å; I81-D89 PolarHBondContact N-OD2 2.86Å; I81-R139 VanDerWaalsContact CB-NH2 3.31Å
82	L	88.8	Confident	93.5	Very high	60 Å²	60	38.5 Å²	38.5	31%	0.314	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	29.5	-177.4	-59.4	174.9	0	0	0	114.5	A84 K86 D89	L82-A84 PolarHBondContact O-N 3.46Å; L82-K86 HydrophobicContact CD2-CG 3.78Å; L82-D89 WeakPolarHBondContact CA-OD2 3.44Å; L82-D89 PolarHBondContact N-OD2 3.42Å
83	E	85.6	Confident	93.6	Very high	111 Å²	111	42.8 Å²	42.8	52%	0.519	21%	0.213	S	C	.	.	S	Bend	trans	-64.5	-28.1	178.1	-178.4	176.6	-161.2	0	0	112.9	F77 T78 I81	F77-E83 HydrophobicContact CD2-CB 4.47Å; F77-E83 HydrophobicContact CE2-CB 4.13Å; T78-E83 WeakPolarHBondContact CA-OE2 3.41Å; T78-E83 WeakPolarHBondContact CB-OE2 3.34Å; T78-E83 PolarHBondContact N-OE2 3.37Å; T78-E83 PolarHBondContact OG1-OE2 3.35Å; I81-E83 HydrophobicContact CD1-CB 3.83Å; I81-E83 HydrophobicContact CG1-CB 3.93Å; I81-E83 PolarHBondContact O-N 3.05Å; I81-E83 VanDerWaalsContact O-N 3.17Å
84	A	90.7	Very high	93.7	Very high	52 Å²	52	38.5 Å²	38.5	43%	0.43	20%	0.201	S	C	.	.	S	Bend	trans	-126.5	-112.9	-179	0	0	0	0	0	111.9	F77 L82	F77-A84 HydrophobicContact CD2-CB 3.89Å; F77-A84 HydrophobicContact CE2-CB 3.46Å; F77-A84 VanDerWaalsContact CE2-CB 3.46Å; F77-A84 HydrophobicContact CZ-CB 4.41Å; L82-A84 PolarHBondContact O-N 3.46Å
85	L	94.5	Very high	93.7	Very high	11 Å²	11	37.1 Å²	37.1	6%	0.058	19%	0.192	C	C	.	.			trans	-99.1	139.7	179.7	-63.2	-179.2	0	0	0	110.2	G87 W88 D89 I105 Y111 L125 F127	L85-G87 PolarHBondContact O-N 3.3Å; L85-G87 VanDerWaalsContact O-N 3.08Å; L85-W88 HydrophobicContact CB-CB 4.44Å; L85-W88 HydrophobicContact CB-CG 4.31Å; L85-W88 WeakPolarHBondContact O-CA 3.42Å; L85-W88 WeakPolarHBondContact O-CB 3.47Å; L85-W88 PolarHBondContact O-N 2.83Å; L85-D89 PolarHBondContact O-N 3.17Å; L85-I105 HydrophobicContact CD1-CD1 4.49Å; L85-Y111 HydrophobicContact CD1-CE2 4.12Å; L85-Y111 HydrophobicContact CD2-CD1 4.21Å; L85-Y111 HydrophobicContact CD2-CD2 4.22Å; L85-Y111 HydrophobicContact CD2-CE1 3.86Å; L85-Y111 HydrophobicContact CD2-CE2 3.87Å; L85-Y111 HydrophobicContact CD2-CG 4.39Å; L85-L125 HydrophobicContact CD1-CD1 3.9Å; L85-F127 HydrophobicContact CD1-CE2 3.73Å; L85-F127 HydrophobicContact CD1-CZ 3.81Å
86	K	95	Very high	93.8	Very high	85 Å²	85	34.9 Å²	34.9	37%	0.37	18%	0.181	S	C	.	.	H	α-helix	trans	-48.1	-38.9	168.4	-76.7	175.3	163.5	158	0	111.6	L82 W88 D89 Q90 L109 L211	L82-K86 HydrophobicContact CD2-CG 3.78Å; K86-W88 VanDerWaalsContact C-N 3.33Å; K86-W88 PolarHBondContact O-N 2.8Å; K86-D89 PolarHBondContact O-N 3.19Å; K86-Q90 PolarHBondContact O-N 3.19Å; K86-Q90 VanDerWaalsContact O-N 3.08Å; K86-L109 HydrophobicContact CB-CB 4.26Å; K86-L109 HydrophobicContact CB-CD2 3.9Å; K86-L109 HydrophobicContact CD-CD2 4.23Å; K86-L211 HydrophobicContact CD-CD1 4.09Å; K86-L211 HydrophobicContact CG-CD1 4.35Å
87	G	97.2	Very high	94	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-68.5	-26.2	178.2	0	0	0	0	0	115	L85 G91 L109	L85-G87 PolarHBondContact O-N 3.3Å; L85-G87 VanDerWaalsContact O-N 3.08Å; G87-G91 WeakPolarHBondContact O-CA 3.44Å; G87-G91 PolarHBondContact O-N 3.26Å; G87-L109 PolarHBondContact N-O 3.32Å
88	W	97.6	Very high	94.3	Very high	10 Å²	10	34.8 Å²	34.8	4%	0.038	20%	0.199	C	C	.	.	H	α-helix	trans	-70.8	-45.1	171.5	-81.9	39.6	0	0	0	110.6	V50 Y52 F77 L85 K86 Q90 G91 L92 F127 I129	V50-W88 HydrophobicContact CG2-CH2 4.31Å; V50-W88 HydrophobicContact CG2-CZ3 4.13Å; Y52-W88 AromaticContact CD1-CH2 3.67Å; Y52-W88 HydrophobicContact CD1-CH2 3.67Å; Y52-W88 HydrophobicContact CD1-CZ2 4.21Å; Y52-W88 HydrophobicContact CD2-CH2 4.43Å; Y52-W88 HydrophobicContact CD2-CZ2 4.15Å; Y52-W88 HydrophobicContact CE1-CH2 4.02Å; Y52-W88 AromaticContact CG-CH2 3.88Å; Y52-W88 HydrophobicContact CG-CH2 3.88Å; Y52-W88 AromaticContact CG-CZ2 3.98Å; Y52-W88 HydrophobicContact CG-CZ2 3.98Å; F77-W88 HydrophobicContact CB-CZ3 4.29Å; F77-W88 AromaticContact CD1-CE3 3.89Å; F77-W88 HydrophobicContact CD1-CE3 3.89Å; F77-W88 HydrophobicContact CD1-CZ3 4.3Å; F77-W88 HydrophobicContact CD2-CE3 4.08Å; F77-W88 HydrophobicContact CD2-CZ3 4.4Å; F77-W88 HydrophobicContact CE1-CB 4.37Å; F77-W88 HydrophobicContact CE1-CE3 4Å; F77-W88 HydrophobicContact CE2-CE3 4.2Å; F77-W88 AromaticContact CG-CE3 3.92Å; F77-W88 HydrophobicContact CG-CE3 3.92Å; F77-W88 HydrophobicContact CG-CZ3 4.06Å; F77-W88 HydrophobicContact CZ-CB 4.04Å; F77-W88 HydrophobicContact CZ-CE3 4.15Å; L85-W88 HydrophobicContact CB-CB 4.44Å; L85-W88 HydrophobicContact CB-CG 4.31Å; L85-W88 WeakPolarHBondContact O-CA 3.42Å; L85-W88 WeakPolarHBondContact O-CB 3.47Å; L85-W88 PolarHBondContact O-N 2.83Å; K86-W88 VanDerWaalsContact C-N 3.33Å; K86-W88 PolarHBondContact O-N 2.8Å; W88-Q90 VanDerWaalsContact C-N 3.27Å; W88-Q90 PolarHBondContact O-N 2.86Å; W88-G91 PolarHBondContact O-N 3Å; W88-G91 VanDerWaalsContact O-N 3.15Å; W88-L92 HydrophobicContact CB-CD1 4.04Å; W88-L92 HydrophobicContact CD2-CD1 3.94Å; W88-L92 HydrophobicContact CE3-CD1 3.64Å; W88-L92 HydrophobicContact CG-CD1 4.16Å; W88-L92 HydrophobicContact CZ3-CD1 4.34Å; W88-L92 VanDerWaalsContact O-CB 3.26Å; W88-L92 WeakPolarHBondContact O-CB 3.29Å; W88-L92 WeakPolarHBondContact O-CG 3.34Å; W88-L92 PolarHBondContact O-N 3.48Å; W88-F127 AromaticContact CE2-CE1 3.95Å; W88-F127 AromaticContact CZ2-CD1 3.7Å; W88-F127 HydrophobicContact CZ2-CD1 3.7Å; W88-F127 AromaticContact CZ2-CE1 3.66Å; W88-F127 HydrophobicContact CZ2-CE1 3.66Å; W88-F127 HydrophobicContact CZ2-CG 4.5Å; W88-F127 HydrophobicContact CZ2-CZ 4.42Å; W88-F127 AromaticContact NE1-CD1 3.68Å; W88-F127 AromaticContact NE1-CD2 3.75Å; W88-F127 AromaticContact NE1-CE1 3.63Å; W88-F127 AromaticContact NE1-CE2 3.7Å; W88-F127 AromaticContact NE1-CG 3.72Å; W88-F127 AromaticContact NE1-CZ 3.62Å; W88-I129 HydrophobicContact CD2-CD1 4.2Å; W88-I129 HydrophobicContact CH2-CD1 4.33Å; W88-I129 HydrophobicContact CZ2-CD1 3.81Å; W88-I129 HydrophobicContact CZ2-CG1 4.45Å
89	D	95	Very high	94.6	Very high	12 Å²	12	34.4 Å²	34.4	6%	0.064	20%	0.196	C	C	.	.	H	α-helix	trans	-59.4	-37.2	176.5	-86.2	6.4	0	0	0	112.7	F77 G80 I81 L82 L85 K86 K93	F77-D89 WeakPolarHBondContact CZ-OD1 3.27Å; G80-D89 VanDerWaalsContact C-OD2 3.26Å; G80-D89 VanDerWaalsContact CA-CG 3.45Å; G80-D89 VanDerWaalsContact CA-OD2 3.27Å; G80-D89 WeakPolarHBondContact CA-OD2 3.42Å; G80-D89 VanDerWaalsContact N-CG 3.33Å; G80-D89 PolarHBondContact N-OD1 3.27Å; I81-D89 PolarHBondContact N-OD2 2.86Å; L82-D89 WeakPolarHBondContact CA-OD2 3.44Å; L82-D89 PolarHBondContact N-OD2 3.42Å; L85-D89 PolarHBondContact O-N 3.17Å; K86-D89 PolarHBondContact O-N 3.19Å; D89-K93 WeakPolarHBondContact O-CD 3.37Å; D89-K93 WeakPolarHBondContact O-CE 3.26Å; D89-K93 WeakPolarHBondContact O-CG 3.46Å
90	Q	95	Very high	94.8	Very high	84 Å²	84	37.6 Å²	37.6	39%	0.393	21%	0.21	S	C	.	.	H	α-helix	trans	-73.6	-45.2	172.7	-66.8	-175	10.4	0	0	112.2	V27 K86 W88 L109	V27-Q90 HydrophobicContact CG2-CB 4.31Å; K86-Q90 PolarHBondContact O-N 3.19Å; K86-Q90 VanDerWaalsContact O-N 3.08Å; W88-Q90 VanDerWaalsContact C-N 3.27Å; W88-Q90 PolarHBondContact O-N 2.86Å; Q90-L109 VanDerWaalsContact OE1-CD1 3.27Å
91	G	97.4	Very high	95.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-79.6	-20.4	-168.3	0	0	0	0	0	116.3	G87 W88 R101	G87-G91 WeakPolarHBondContact O-CA 3.44Å; G87-G91 PolarHBondContact O-N 3.26Å; W88-G91 PolarHBondContact O-N 3Å; W88-G91 VanDerWaalsContact O-N 3.15Å; G91-R101 PolarHBondContact O-NH1 3.15Å
92	L	98.1	Very high	96	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	1.6	-169.7	-64.8	-179.7	0	0	0	114.8	T42 M48 F77 L79 W88 M95 L103 I129	T42-L92 PolarHBondContact OG1-O 2.94Å; M48-L92 HydrophobicContact CE-CB 4Å; M48-L92 HydrophobicContact CE-CD1 4.25Å; M48-L92 HydrophobicContact CE-CD2 4.48Å; M48-L92 HydrophobicContact CE-CG 4.49Å; M48-L92 HydrophobicContact SD-CB 4.2Å; F77-L92 HydrophobicContact CD1-CD1 4.16Å; F77-L92 HydrophobicContact CE1-CD1 3.96Å; L79-L92 HydrophobicContact CD1-CB 3.9Å; W88-L92 HydrophobicContact CB-CD1 4.04Å; W88-L92 HydrophobicContact CD2-CD1 3.94Å; W88-L92 HydrophobicContact CE3-CD1 3.64Å; W88-L92 HydrophobicContact CG-CD1 4.16Å; W88-L92 HydrophobicContact CZ3-CD1 4.34Å; W88-L92 VanDerWaalsContact O-CB 3.26Å; W88-L92 WeakPolarHBondContact O-CB 3.29Å; W88-L92 WeakPolarHBondContact O-CG 3.34Å; W88-L92 PolarHBondContact O-N 3.48Å; L92-M95 HydrophobicContact CD2-SD 3.75Å; L92-L103 HydrophobicContact CD2-CD1 4.16Å; L92-L103 HydrophobicContact CG-CD1 4.26Å; L92-I129 HydrophobicContact CD1-CD1 4.2Å; L92-I129 HydrophobicContact CD2-CB 4.37Å; L92-I129 HydrophobicContact CD2-CD1 3.84Å; L92-I129 HydrophobicContact CD2-CG2 4.06Å; L92-I129 HydrophobicContact CG-CD1 4.39Å
93	K	96.4	Very high	96.4	Very high	120 Å²	120	36.5 Å²	36.5	52%	0.522	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	142.9	173.9	-70.7	170.3	179.8	171.5	0	111.9	L79 D89 M95 R101	L79-K93 HydrophobicContact CD1-CG 4.49Å; L79-K93 HydrophobicContact CD2-CG 4.08Å; D89-K93 WeakPolarHBondContact O-CD 3.37Å; D89-K93 WeakPolarHBondContact O-CE 3.26Å; D89-K93 WeakPolarHBondContact O-CG 3.46Å; K93-M95 VanDerWaalsContact C-N 3.32Å; K93-M95 PolarHBondContact O-N 2.92Å; K93-R101 PolarHBondContact O-NH1 2.98Å; K93-R101 PolarHBondContact O-NH2 2.69Å
94	G	97.2	Very high	97	Very high	29 Å²	29	32.5 Å²	32.5	30%	0.299	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	24.6	172.4	0	0	0	0	0	115	T42 R101	T42-G94 PolarHBondContact O-N 2.86Å; T42-G94 PolarHBondContact OG1-N 3.4Å; G94-R101 PolarHBondContact O-NH2 3.36Å
95	M	98.1	Very high	97.4	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.			trans	-91.5	146.2	-176.6	-158	172.4	166.5	0	0	110.9	K41 T42 M48 L92 K93 E99 R101 L131	K41-M95 CarbonylContact C-O 3.6Å; K41-M95 VanDerWaalsContact CA-O 3.31Å; K41-M95 WeakPolarHBondContact CA-O 3.49Å; T42-M95 HydrophobicContact CG2-CB 4.19Å; T42-M95 PolarHBondContact N-O 3.06Å; T42-M95 PolarHBondContact OG1-N 3.41Å; M48-M95 HydrophobicContact CE-SD 4.35Å; L92-M95 HydrophobicContact CD2-SD 3.75Å; K93-M95 VanDerWaalsContact C-N 3.32Å; K93-M95 PolarHBondContact O-N 2.92Å; M95-E99 HydrophobicContact CE-CB 4.05Å; M95-E99 HydrophobicContact CE-CG 4.16Å; M95-E99 WeakPolarHBondContact CE-O 3.46Å; M95-E99 HydrophobicContact CG-CB 3.89Å; M95-E99 HydrophobicContact CG-CG 3.9Å; M95-R101 HydrophobicContact CE-CB 4.16Å; M95-R101 HydrophobicContact CE-CG 3.92Å; M95-R101 HydrophobicContact SD-CG 4.06Å; M95-L131 HydrophobicContact CB-CD2 3.87Å; M95-L131 HydrophobicContact CE-CB 3.68Å; M95-L131 HydrophobicContact CG-CB 4.39Å; M95-L131 HydrophobicContact CG-CD2 3.86Å; M95-L131 HydrophobicContact SD-CB 4.17Å; M95-L131 HydrophobicContact SD-CD2 4.33Å
96	C	98.1	Very high	97.6	Very high	5 Å²	5	31 Å²	31	3%	0.034	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-104.8	150.8	-179.8	-56.8	0	0	0	0	112	P35 C38 G98 E99 L131	P35-C96 HydrophobicContact CG-CB 3.71Å; C38-C96 HydrophobicContact CB-CB 3.71Å; C38-C96 WeakPolarHBondContact CB-SG 3.32Å; C38-C96 WeakPolarHBondContact SG-CB 3.15Å; C38-C96 CovalentContact SG-SG 2.02Å; C38-C96 PolarHBondContact SG-SG 3.06Å; C96-G98 PolarHBondContact O-N 2.95Å; C96-E99 HydrophobicContact CB-CB 4.36Å; C96-E99 PolarHBondContact N-OE2 3.38Å; C96-E99 WeakPolarHBondContact O-CB 3.06Å; C96-E99 PolarHBondContact O-N 3.34Å; C96-L131 WeakPolarHBondContact O-CD2 3.37Å
97	V	98.3	Very high	97.7	Very high	71 Å²	71	28 Å²	28	43%	0.43	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	131.1	171.8	173	0	0	0	0	110.5	P35 E99 L132 I134	P35-V97 WeakPolarHBondContact CB-O 3.12Å; P35-V97 VanDerWaalsContact CG-O 3.32Å; P35-V97 WeakPolarHBondContact CG-O 3.16Å; V97-E99 VanDerWaalsContact C-N 3.31Å; V97-L132 WeakPolarHBondContact CG1-O 3.34Å; V97-I134 HydrophobicContact CG2-CB 4.47Å; V97-I134 HydrophobicContact CG2-CD1 3.99Å; V97-I134 HydrophobicContact CG2-CG1 3.76Å
98	G	97.7	Very high	97.7	Very high	36 Å²	36	30.9 Å²	30.9	37%	0.371	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	-2	-172.4	0	0	0	0	0	114.7	C96 L131	C96-G98 PolarHBondContact O-N 2.95Å; G98-L131 PolarHBondContact N-O 3.24Å
99	E	98.6	Very high	97.6	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.009	18%	0.179	C	C	.	.			trans	-74.5	144.9	171.1	-170.9	172	150.8	0	0	110.5	V31 Q33 K34 M95 C96 V97 R101 L131	V31-E99 HydrophobicContact CG1-CG 3.82Å; Q33-E99 CarbonylContact O-C 3.56Å; Q33-E99 VanDerWaalsContact O-CA 3.28Å; Q33-E99 WeakPolarHBondContact O-CA 3.4Å; Q33-E99 VanDerWaalsContact O-CG 3.26Å; Q33-E99 WeakPolarHBondContact O-CG 3.45Å; K34-E99 HydrophobicContact CG-CG 4.11Å; M95-E99 HydrophobicContact CE-CB 4.05Å; M95-E99 HydrophobicContact CE-CG 4.16Å; M95-E99 WeakPolarHBondContact CE-O 3.46Å; M95-E99 HydrophobicContact CG-CB 3.89Å; M95-E99 HydrophobicContact CG-CG 3.9Å; C96-E99 HydrophobicContact CB-CB 4.36Å; C96-E99 PolarHBondContact N-OE2 3.38Å; C96-E99 WeakPolarHBondContact O-CB 3.06Å; C96-E99 PolarHBondContact O-N 3.34Å; V97-E99 VanDerWaalsContact C-N 3.31Å; E99-R101 IonicContact OE1-CZ 3.4Å; E99-R101 VanDerWaalsContact OE1-CZ 3.23Å; E99-R101 IonicContact OE1-NE 2.85Å; E99-R101 PolarHBondContact OE1-NE 2.74Å; E99-R101 IonicContact OE1-NH2 3.98Å; E99-R101 PolarHBondContact OE1-NH2 2.9Å; E99-R101 IonicContact OE2-NH2 3.23Å; E99-L131 PolarHBondContact O-N 3.12Å
100	K	98.6	Very high	97.7	Very high	67 Å²	67	31.2 Å²	31.2	29%	0.291	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	132.7	173.6	-53.2	-171.8	174.1	-125.1	0	109.6	L32 Q33 I129 D130	L32-K100 HydrophobicContact CB-CB 4.12Å; L32-K100 PolarHBondContact N-O 3.34Å; Q33-K100 HydrophobicContact CB-CB 4.02Å; Q33-K100 HydrophobicContact CB-CD 4.11Å; Q33-K100 HydrophobicContact CB-CG 3.93Å; Q33-K100 PolarHBondContact N-O 3.26Å; Q33-K100 PolarHBondContact O-N 2.87Å; K100-I129 CarbonylContact C-O 3.48Å; K100-I129 VanDerWaalsContact CA-O 3.32Å; K100-I129 WeakPolarHBondContact CA-O 3.42Å; K100-D130 WeakPolarHBondContact CB-OD1 3.45Å; K100-D130 WeakPolarHBondContact CD-OD1 3.37Å; K100-D130 WeakPolarHBondContact CG-OD1 3.29Å; K100-D130 IonicContact NZ-OD1 2.77Å; K100-D130 PolarHBondContact NZ-OD1 2.94Å; K100-D130 IonicContact NZ-OD2 3.45Å; K100-D130 PolarHBondContact NZ-OD2 3.33Å
101	R	98.7	Very high	97.8	Very high	17 Å²	17	31 Å²	31	6%	0.064	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	145	178.2	-75.1	-176.3	-175.7	178.8	6.1	111.6	E30 V31 G91 K93 G94 M95 E99 L103 N128 I129	E30-R101 CarbonylContact O-C 3.56Å; E30-R101 WeakPolarHBondContact O-CA 3.26Å; V31-R101 HydrophobicContact CG2-CG 4.27Å; G91-R101 PolarHBondContact O-NH1 3.15Å; K93-R101 PolarHBondContact O-NH1 2.98Å; K93-R101 PolarHBondContact O-NH2 2.69Å; G94-R101 PolarHBondContact O-NH2 3.36Å; M95-R101 HydrophobicContact CE-CB 4.16Å; M95-R101 HydrophobicContact CE-CG 3.92Å; M95-R101 HydrophobicContact SD-CG 4.06Å; E99-R101 IonicContact OE1-CZ 3.4Å; E99-R101 VanDerWaalsContact OE1-CZ 3.23Å; E99-R101 IonicContact OE1-NE 2.85Å; E99-R101 PolarHBondContact OE1-NE 2.74Å; E99-R101 IonicContact OE1-NH2 3.98Å; E99-R101 PolarHBondContact OE1-NH2 2.9Å; E99-R101 IonicContact OE2-NH2 3.23Å; R101-L103 HydrophobicContact CB-CD2 4.37Å; R101-N128 CarbonylContact O-C 3.6Å; R101-N128 WeakPolarHBondContact O-CA 3.45Å; R101-I129 PolarHBondContact N-O 2.65Å; R101-I129 PolarHBondContact O-N 2.85Å
102	K	98.7	Very high	97.7	Very high	55 Å²	55	32.1 Å²	32.1	24%	0.239	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	125.3	161.2	177.9	-179.3	174.9	-165.5	0	108.9	E30 L32 I126 F127	E30-K102 HydrophobicContact CB-CB 4.19Å; E30-K102 PolarHBondContact N-O 3.13Å; E30-K102 PolarHBondContact O-N 2.82Å; E30-K102 IonicContact OE2-NZ 3.95Å; L32-K102 HydrophobicContact CD1-CB 4.07Å; L32-K102 HydrophobicContact CD2-CB 3.98Å; L32-K102 HydrophobicContact CG-CB 4.09Å; K102-I126 HydrophobicContact CD-CG2 4.3Å; K102-I126 HydrophobicContact CG-CG2 4.01Å; K102-F127 CarbonylContact C-O 3.55Å; K102-F127 WeakPolarHBondContact CA-O 3.18Å
103	L	98.7	Very high	97.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131.5	174.4	-53.4	-174.7	0	0	0	109	V27 K28 I29 L92 R101 I105 I126 F127 I129	V27-L103 HydrophobicContact CG1-CB 3.95Å; V27-L103 HydrophobicContact CG1-CD2 4.21Å; K28-L103 WeakPolarHBondContact O-CA 3Å; I29-L103 HydrophobicContact CB-CD2 4.29Å; I29-L103 HydrophobicContact CG1-CD2 4.02Å; I29-L103 HydrophobicContact CG2-CD2 3.97Å; L92-L103 HydrophobicContact CD2-CD1 4.16Å; L92-L103 HydrophobicContact CG-CD1 4.26Å; R101-L103 HydrophobicContact CB-CD2 4.37Å; L103-I105 HydrophobicContact CB-CD1 4.21Å; L103-I105 HydrophobicContact CB-CG1 3.98Å; L103-I105 HydrophobicContact CD1-CD1 4.34Å; L103-I126 CarbonylContact O-C 3.47Å; L103-I126 VanDerWaalsContact O-CA 3.3Å; L103-I126 WeakPolarHBondContact O-CA 3.27Å; L103-F127 HydrophobicContact CB-CB 4.33Å; L103-F127 PolarHBondContact N-O 3.32Å; L103-F127 PolarHBondContact O-N 2.73Å; L103-I129 HydrophobicContact CD1-CD1 3.73Å; L103-I129 HydrophobicContact CG-CD1 4.28Å
104	I	98.6	Very high	97.6	Very high	27 Å²	27	43 Å²	43	14%	0.138	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	110	166.3	-46.1	-173.3	0	0	0	107.1	V27 K28 E57 T124 L125 I126	V27-I104 WeakPolarHBondContact CA-O 3.28Å; K28-I104 HydrophobicContact CB-CB 4.06Å; K28-I104 HydrophobicContact CB-CG1 4.41Å; K28-I104 HydrophobicContact CD-CD1 3.98Å; K28-I104 PolarHBondContact N-O 3.13Å; K28-I104 PolarHBondContact O-N 3.38Å; E57-I104 WeakPolarHBondContact OE1-CG2 3.47Å; I104-T124 HydrophobicContact CG2-CG2 3.59Å; I104-L125 CarbonylContact C-O 3.56Å; I104-L125 WeakPolarHBondContact CA-O 3.49Å; I104-I126 HydrophobicContact CG1-CG1 4.39Å; I104-I126 HydrophobicContact CG2-CG1 4.36Å
105	I	98.4	Very high	97.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	113.1	-169	-56.8	179.9	0	0	0	108.3	V27 L85 L103 L109 T124 L125 F127	V27-I105 HydrophobicContact CG1-CG1 3.96Å; V27-I105 HydrophobicContact CG2-CB 4.47Å; V27-I105 HydrophobicContact CG2-CG1 4.05Å; V27-I105 HydrophobicContact CG2-CG2 4.3Å; L85-I105 HydrophobicContact CD1-CD1 4.49Å; L103-I105 HydrophobicContact CB-CD1 4.21Å; L103-I105 HydrophobicContact CB-CG1 3.98Å; L103-I105 HydrophobicContact CD1-CD1 4.34Å; I105-L109 VanDerWaalsContact CG2-C 3.5Å; I105-L109 HydrophobicContact CG2-CB 3.74Å; I105-L109 WeakPolarHBondContact CG2-O 3.21Å; I105-T124 WeakPolarHBondContact O-CA 3.36Å; I105-T124 WeakPolarHBondContact O-CG2 3.29Å; I105-L125 HydrophobicContact CB-CB 4.35Å; I105-L125 PolarHBondContact N-O 3.1Å; I105-L125 PolarHBondContact O-N 3.24Å; I105-F127 HydrophobicContact CD1-CD2 3.67Å; I105-F127 HydrophobicContact CD1-CE2 3.95Å; I105-F127 HydrophobicContact CG1-CD2 4.47Å
106	P	97.9	Very high	97.4	Very high	30 Å²	30	48.8 Å²	48.8	20%	0.195	26%	0.263	C	S	.	.			trans	-65	158.2	175.4	29.2	-35.4	0	0	0	110.8	P25 E26 A108 L109 G110	P25-P106 HydrophobicContact CB-CG 4Å; E26-P106 WeakPolarHBondContact O-CD 3.05Å; P106-A108 PolarHBondContact O-N 2.82Å; P106-A108 VanDerWaalsContact O-N 3.13Å; P106-L109 HydrophobicContact CG-CB 4.35Å; P106-L109 HydrophobicContact CG-CD1 4.14Å; P106-L109 HydrophobicContact CG-CG 4.18Å; P106-L109 PolarHBondContact O-N 2.93Å; P106-G110 PolarHBondContact O-N 2.72Å
107	P	97.3	Very high	97.3	Very high	23 Å²	23	52.7 Å²	52.7	15%	0.149	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-56.1	-36.4	-174.1	19.5	-32.3	0	0	0	113.8	L109 G110 G112	P107-L109 PolarHBondContact O-N 3.08Å; P107-G110 CarbonylContact O-C 3.58Å; P107-G110 WeakPolarHBondContact O-CA 3.46Å; P107-G110 PolarHBondContact O-N 2.8Å; P107-G112 VanDerWaalsContact O-CA 3.27Å; P107-G112 WeakPolarHBondContact O-CA 3.31Å; P107-G112 PolarHBondContact O-N 3.19Å
108	A	96.4	Very high	97.1	Very high	61 Å²	61	55.8 Å²	55.8	50%	0.504	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-61.8	-23.1	177.7	0	0	0	0	0	114.3	P25 P106	P25-A108 HydrophobicContact CB-CB 3.87Å; P25-A108 HydrophobicContact CG-CB 3.75Å; P106-A108 PolarHBondContact O-N 2.82Å; P106-A108 VanDerWaalsContact O-N 3.13Å
109	L	96.8	Very high	97.1	Very high	10 Å²	10	54.6 Å²	54.6	5%	0.052	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-105.9	3.1	174.3	-59.6	-176.5	0	0	0	112.9	P25 V27 K86 G87 Q90 I105 P106 P107	P25-L109 HydrophobicContact CB-CG 4.21Å; P25-L109 HydrophobicContact CG-CD2 4.35Å; P25-L109 HydrophobicContact CG-CG 4.38Å; P25-L109 WeakPolarHBondContact O-CD1 3.42Å; V27-L109 HydrophobicContact CG2-CB 4.45Å; V27-L109 HydrophobicContact CG2-CD1 3.54Å; K86-L109 HydrophobicContact CB-CB 4.26Å; K86-L109 HydrophobicContact CB-CD2 3.9Å; K86-L109 HydrophobicContact CD-CD2 4.23Å; G87-L109 PolarHBondContact N-O 3.32Å; Q90-L109 VanDerWaalsContact OE1-CD1 3.27Å; I105-L109 VanDerWaalsContact CG2-C 3.5Å; I105-L109 HydrophobicContact CG2-CB 3.74Å; I105-L109 WeakPolarHBondContact CG2-O 3.21Å; P106-L109 HydrophobicContact CG-CB 4.35Å; P106-L109 HydrophobicContact CG-CD1 4.14Å; P106-L109 HydrophobicContact CG-CG 4.18Å; P106-L109 PolarHBondContact O-N 2.93Å; P107-L109 PolarHBondContact O-N 3.08Å
110	G	96.8	Very high	97	Very high	19 Å²	19	57.6 Å²	57.6	20%	0.196	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-124.7	177.6	0	0	0	0	0	111.3	P106 P107	P106-G110 PolarHBondContact O-N 2.72Å; P107-G110 CarbonylContact O-C 3.58Å; P107-G110 WeakPolarHBondContact O-CA 3.46Å; P107-G110 PolarHBondContact O-N 2.8Å
111	Y	96.4	Very high	97	Very high	80 Å²	80	58 Å²	58	31%	0.314	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	10.9	-179.8	-64.3	-77.6	0	0	0	114	L85 G115 K116 I119 L125	L85-Y111 HydrophobicContact CD1-CE2 4.12Å; L85-Y111 HydrophobicContact CD2-CD1 4.21Å; L85-Y111 HydrophobicContact CD2-CD2 4.22Å; L85-Y111 HydrophobicContact CD2-CE1 3.86Å; L85-Y111 HydrophobicContact CD2-CE2 3.87Å; L85-Y111 HydrophobicContact CD2-CG 4.39Å; Y111-G115 PolarHBondContact O-N 3.4Å; Y111-K116 HydrophobicContact CD1-CB 3.57Å; Y111-K116 HydrophobicContact CD1-CD 3.76Å; Y111-K116 HydrophobicContact CD1-CG 4.32Å; Y111-K116 HydrophobicContact CE1-CB 3.9Å; Y111-K116 HydrophobicContact CE1-CD 3.38Å; Y111-K116 HydrophobicContact CE1-CG 4.27Å; Y111-K116 HydrophobicContact CG-CB 3.93Å; Y111-I119 HydrophobicContact CD2-CB 4.42Å; Y111-I119 HydrophobicContact CD2-CD1 3.43Å; Y111-I119 VanDerWaalsContact CD2-CD1 3.43Å; Y111-I119 HydrophobicContact CD2-CG2 4.06Å; Y111-I119 HydrophobicContact CE2-CD1 3.19Å; Y111-I119 HydrophobicContact CG-CD1 4.49Å; Y111-L125 HydrophobicContact CD2-CD1 3.84Å; Y111-L125 HydrophobicContact CE2-CD1 4.04Å
112	G	95.5	Very high	96.9	Very high	22 Å²	22	62 Å²	62	23%	0.227	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	-148.1	171.3	0	0	0	0	0	115.2	P107 E114 E122	P107-G112 VanDerWaalsContact O-CA 3.27Å; P107-G112 WeakPolarHBondContact O-CA 3.31Å; P107-G112 PolarHBondContact O-N 3.19Å; G112-E114 VanDerWaalsContact C-N 3.26Å; G112-E114 PolarHBondContact O-N 2.99Å; G112-E122 PolarHBondContact O-N 2.84Å
113	K	96.6	Very high	96.9	Very high	171 Å²	171	60.3 Å²	60.3	74%	0.743	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-18.9	-175.5	-40.6	-149.8	169.6	166.8	0	113.6	P121 E122	K113-P121 WeakPolarHBondContact O-CB 3.1Å; K113-P121 WeakPolarHBondContact O-CG 3.38Å; K113-E122 WeakPolarHBondContact CA-OE1 3.34Å; K113-E122 WeakPolarHBondContact CB-OE1 3.48Å; K113-E122 WeakPolarHBondContact CD-OE1 3.28Å; K113-E122 WeakPolarHBondContact CG-OE1 3.1Å
114	E	96.1	Very high	96.9	Very high	177 Å²	177	62.1 Å²	62.1	83%	0.827	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-32.4	-175.8	-60.3	-174.9	168.1	0	0	111.4	G112	G112-E114 VanDerWaalsContact C-N 3.26Å; G112-E114 PolarHBondContact O-N 2.99Å
115	G	95.6	Very high	96.9	Very high	13 Å²	13	60.8 Å²	60.8	13%	0.134	35%	0.345	C	S	.	.			trans	67.9	-169.9	-170.1	0	0	0	0	0	111.7	Y111 I119	Y111-G115 PolarHBondContact O-N 3.4Å; G115-I119 CarbonylContact C-O 3.55Å; G115-I119 WeakPolarHBondContact CA-O 3.21Å
116	K	95.7	Very high	96.9	Very high	138 Å²	138	62.3 Å²	62.3	60%	0.6	35%	0.353	S	S	*	.	B	Isolated β-bridge	trans	-161.8	124.2	176.1	-165.3	173.9	-175.3	173.9	0	111.8	Y111 K118 I119	Y111-K116 HydrophobicContact CD1-CB 3.57Å; Y111-K116 HydrophobicContact CD1-CD 3.76Å; Y111-K116 HydrophobicContact CD1-CG 4.32Å; Y111-K116 HydrophobicContact CE1-CB 3.9Å; Y111-K116 HydrophobicContact CE1-CD 3.38Å; Y111-K116 HydrophobicContact CE1-CG 4.27Å; Y111-K116 HydrophobicContact CG-CB 3.93Å; K116-K118 PolarHBondContact O-N 2.65Å; K116-I119 PolarHBondContact N-O 3.2Å; K116-I119 WeakPolarHBondContact O-CB 3.5Å; K116-I119 PolarHBondContact O-N 2.9Å
117	G	95	Very high	96.9	Very high	88 Å²	88	61.1 Å²	61.1	91%	0.907	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	-112.3	174.9	0	0	0	0	0	112.7	I119	G117-I119 PolarHBondContact O-N 2.72Å
118	K	94.5	Very high	97	Very high	135 Å²	135	62.1 Å²	62.1	59%	0.587	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-4.2	177.5	-64.6	179.7	-174	173	0	114	F63 H69 K116 P120	F63-K118 HydrophobicContact CB-CB 4.09Å; F63-K118 WeakPolarHBondContact O-CD 3Å; F63-K118 PolarHBondContact O-NZ 2.64Å; H69-K118 PolarHBondContact NE2-NZ 2.84Å; K116-K118 PolarHBondContact O-N 2.65Å; K118-P120 WeakPolarHBondContact O-CD 2.92Å
119	I	97.3	Very high	97.1	Very high	11 Å²	11	59.2 Å²	59.2	6%	0.056	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-103.2	111.9	-174.2	-57.6	169	0	0	0	108.5	L56 F63 Y111 G115 K116 G117 L125	L56-I119 HydrophobicContact CD2-CB 4.45Å; L56-I119 HydrophobicContact CD2-CG1 4.36Å; L56-I119 HydrophobicContact CD2-CG2 4.03Å; F63-I119 HydrophobicContact CB-CG1 4.21Å; F63-I119 HydrophobicContact CD1-CD1 4.35Å; F63-I119 HydrophobicContact CD1-CG1 4.13Å; F63-I119 HydrophobicContact CD2-CD1 3.74Å; F63-I119 HydrophobicContact CD2-CG1 4Å; F63-I119 HydrophobicContact CE1-CD1 4.29Å; F63-I119 HydrophobicContact CE1-CG1 4.49Å; F63-I119 HydrophobicContact CE2-CD1 3.73Å; F63-I119 HydrophobicContact CE2-CG1 4.41Å; F63-I119 HydrophobicContact CG-CD1 4.09Å; F63-I119 HydrophobicContact CG-CG1 3.87Å; F63-I119 HydrophobicContact CZ-CD1 4Å; Y111-I119 HydrophobicContact CD2-CB 4.42Å; Y111-I119 HydrophobicContact CD2-CD1 3.43Å; Y111-I119 VanDerWaalsContact CD2-CD1 3.43Å; Y111-I119 HydrophobicContact CD2-CG2 4.06Å; Y111-I119 HydrophobicContact CE2-CD1 3.19Å; Y111-I119 HydrophobicContact CG-CD1 4.49Å; G115-I119 CarbonylContact C-O 3.55Å; G115-I119 WeakPolarHBondContact CA-O 3.21Å; K116-I119 PolarHBondContact N-O 3.2Å; K116-I119 WeakPolarHBondContact O-CB 3.5Å; K116-I119 PolarHBondContact O-N 2.9Å; G117-I119 PolarHBondContact O-N 2.72Å; I119-L125 HydrophobicContact CD1-CD2 4.47Å; I119-L125 HydrophobicContact CG2-CD2 3.69Å
120	P	97.5	Very high	97.2	Very high	65 Å²	65	60.7 Å²	60.7	42%	0.422	33%	0.333	S	S	.	.			trans	-64.3	160.2	177.1	-22	33.5	0	0	0	113.2	L56 K118 S123	L56-P120 HydrophobicContact CD1-CG 4.33Å; K118-P120 WeakPolarHBondContact O-CD 2.92Å; P120-S123 WeakPolarHBondContact CD-OG 3.39Å; P120-S123 WeakPolarHBondContact O-CB 3.44Å; P120-S123 PolarHBondContact O-OG 3.05Å
121	P	97.9	Very high	97.2	Very high	77 Å²	77	59.9 Å²	59.9	50%	0.5	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.9	143.1	162.4	-36.1	41.2	0	0	0	114	K113 S123	K113-P121 WeakPolarHBondContact O-CB 3.1Å; K113-P121 WeakPolarHBondContact O-CG 3.38Å; P121-S123 PolarHBondContact O-N 3.35Å; P121-S123 VanDerWaalsContact O-N 3.16Å
122	E	97.2	Very high	97.3	Very high	100 Å²	100	59.3 Å²	59.3	47%	0.467	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	30.2	172.4	-55.8	-64.1	169.1	0	0	114.2	G112 K113	G112-E122 PolarHBondContact O-N 2.84Å; K113-E122 WeakPolarHBondContact CA-OE1 3.34Å; K113-E122 WeakPolarHBondContact CB-OE1 3.48Å; K113-E122 WeakPolarHBondContact CD-OE1 3.28Å; K113-E122 WeakPolarHBondContact CG-OE1 3.1Å
123	S	98	Very high	97.4	Very high	20 Å²	20	61.3 Å²	61.3	14%	0.14	33%	0.329	C	S	.	.			trans	-82.7	126.5	179	-64.8	0	0	0	0	112.6	P120 P121	P120-S123 WeakPolarHBondContact CD-OG 3.39Å; P120-S123 WeakPolarHBondContact O-CB 3.44Å; P120-S123 PolarHBondContact O-OG 3.05Å; P121-S123 PolarHBondContact O-N 3.35Å; P121-S123 VanDerWaalsContact O-N 3.16Å
124	T	98.5	Very high	97.3	Very high	37 Å²	37	54 Å²	54	23%	0.227	30%	0.298	C	S	.	.			trans	-73.4	131.8	159.1	-54.6	0	0	0	0	109.6	E57 I104 I105	E57-T124 HydrophobicContact CB-CG2 4.06Å; E57-T124 WeakPolarHBondContact CB-O 3.35Å; E57-T124 HydrophobicContact CG-CG2 4.46Å; E57-T124 PolarHBondContact N-O 3.47Å; E57-T124 VanDerWaalsContact OE2-CB 3.28Å; E57-T124 WeakPolarHBondContact OE2-CB 3.44Å; E57-T124 VanDerWaalsContact OE2-CG2 3.25Å; E57-T124 WeakPolarHBondContact OE2-CG2 3.44Å; I104-T124 HydrophobicContact CG2-CG2 3.59Å; I105-T124 WeakPolarHBondContact O-CA 3.36Å; I105-T124 WeakPolarHBondContact O-CG2 3.29Å
125	L	98.6	Very high	97.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	140.2	-176	-47.8	176.3	0	0	0	110.2	Y55 L56 F63 L85 I104 I105 Y111 I119 F127	Y55-L125 WeakPolarHBondContact O-CA 3.37Å; L56-L125 HydrophobicContact CD2-CD2 3.94Å; F63-L125 HydrophobicContact CE1-CD2 4.03Å; L85-L125 HydrophobicContact CD1-CD1 3.9Å; I104-L125 CarbonylContact C-O 3.56Å; I104-L125 WeakPolarHBondContact CA-O 3.49Å; I105-L125 HydrophobicContact CB-CB 4.35Å; I105-L125 PolarHBondContact N-O 3.1Å; I105-L125 PolarHBondContact O-N 3.24Å; Y111-L125 HydrophobicContact CD2-CD1 3.84Å; Y111-L125 HydrophobicContact CE2-CD1 4.04Å; I119-L125 HydrophobicContact CD1-CD2 4.47Å; I119-L125 HydrophobicContact CG2-CD2 3.69Å; L125-F127 HydrophobicContact CB-CD2 4.17Å; L125-F127 HydrophobicContact CB-CE2 3.82Å; L125-F127 HydrophobicContact CD1-CE2 3.91Å
126	I	98.7	Very high	96.7	Very high	31 Å²	31	54 Å²	54	16%	0.159	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125	168.8	-61.3	176.3	0	0	0	108.1	G54 Y55 E57 K102 L103 I104	G54-I126 CarbonylContact C-O 3.55Å; G54-I126 WeakPolarHBondContact CA-O 3.21Å; Y55-I126 PolarHBondContact N-O 3.49Å; Y55-I126 PolarHBondContact O-N 3.49Å; E57-I126 HydrophobicContact CB-CD1 4.07Å; E57-I126 HydrophobicContact CB-CG1 4.14Å; E57-I126 HydrophobicContact CG-CD1 4.05Å; E57-I126 HydrophobicContact CG-CG1 4.49Å; K102-I126 HydrophobicContact CD-CG2 4.3Å; K102-I126 HydrophobicContact CG-CG2 4.01Å; L103-I126 CarbonylContact O-C 3.47Å; L103-I126 VanDerWaalsContact O-CA 3.3Å; L103-I126 WeakPolarHBondContact O-CA 3.27Å; I104-I126 HydrophobicContact CG1-CG1 4.39Å; I104-I126 HydrophobicContact CG2-CG1 4.36Å
127	F	98.8	Very high	95.9	Very high	5 Å²	5	47.5 Å²	47.5	2%	0.022	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	134.3	172.3	-76.5	-93.7	0	0	0	110.8	Y52 E53 F63 L85 W88 K102 L103 I105 L125 I129	Y52-F127 AromaticContact CD2-CD1 3.81Å; Y52-F127 HydrophobicContact CD2-CD1 3.81Å; Y52-F127 AromaticContact CD2-CE1 3.81Å; Y52-F127 HydrophobicContact CD2-CE1 3.81Å; Y52-F127 HydrophobicContact CE2-CD1 4.41Å; Y52-F127 AromaticContact CE2-CE1 3.94Å; Y52-F127 HydrophobicContact CE2-CE1 3.94Å; E53-F127 CarbonylContact O-C 3.56Å; E53-F127 VanDerWaalsContact O-CA 3.26Å; E53-F127 WeakPolarHBondContact O-CA 3.44Å; F63-F127 HydrophobicContact CE2-CE1 4.34Å; F63-F127 HydrophobicContact CE2-CZ 4.14Å; F63-F127 AromaticContact CZ-CE1 3.96Å; F63-F127 HydrophobicContact CZ-CE1 3.96Å; F63-F127 HydrophobicContact CZ-CE2 4.07Å; F63-F127 AromaticContact CZ-CZ 3.57Å; F63-F127 HydrophobicContact CZ-CZ 3.57Å; L85-F127 HydrophobicContact CD1-CE2 3.73Å; L85-F127 HydrophobicContact CD1-CZ 3.81Å; W88-F127 AromaticContact CE2-CE1 3.95Å; W88-F127 AromaticContact CZ2-CD1 3.7Å; W88-F127 HydrophobicContact CZ2-CD1 3.7Å; W88-F127 AromaticContact CZ2-CE1 3.66Å; W88-F127 HydrophobicContact CZ2-CE1 3.66Å; W88-F127 HydrophobicContact CZ2-CG 4.5Å; W88-F127 HydrophobicContact CZ2-CZ 4.42Å; W88-F127 AromaticContact NE1-CD1 3.68Å; W88-F127 AromaticContact NE1-CD2 3.75Å; W88-F127 AromaticContact NE1-CE1 3.63Å; W88-F127 AromaticContact NE1-CE2 3.7Å; W88-F127 AromaticContact NE1-CG 3.72Å; W88-F127 AromaticContact NE1-CZ 3.62Å; K102-F127 CarbonylContact C-O 3.55Å; K102-F127 WeakPolarHBondContact CA-O 3.18Å; L103-F127 HydrophobicContact CB-CB 4.33Å; L103-F127 PolarHBondContact N-O 3.32Å; L103-F127 PolarHBondContact O-N 2.73Å; I105-F127 HydrophobicContact CD1-CD2 3.67Å; I105-F127 HydrophobicContact CD1-CE2 3.95Å; I105-F127 HydrophobicContact CG1-CD2 4.47Å; L125-F127 HydrophobicContact CB-CD2 4.17Å; L125-F127 HydrophobicContact CB-CE2 3.82Å; L125-F127 HydrophobicContact CD1-CE2 3.91Å; F127-I129 HydrophobicContact CB-CD1 3.9Å; F127-I129 HydrophobicContact CB-CG1 3.9Å; F127-I129 HydrophobicContact CG-CD1 4.47Å
128	N	98.6	Very high	94.8	Very high	44 Å²	44	47.4 Å²	47.4	24%	0.235	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	123.3	160.2	-63.7	-33.3	0	0	0	107.4	Y52 E53 R101	Y52-N128 CarbonylContact C-O 3.59Å; Y52-N128 WeakPolarHBondContact CA-O 3.41Å; Y52-N128 WeakPolarHBondContact CB-O 3.44Å; E53-N128 PolarHBondContact N-O 2.73Å; E53-N128 PolarHBondContact O-N 2.77Å; R101-N128 CarbonylContact O-C 3.6Å; R101-N128 WeakPolarHBondContact O-CA 3.45Å
129	I	98.7	Very high	93.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	126.6	-172.5	-55.7	176.6	0	0	0	109.3	V50 H51 W88 L92 K100 R101 L103 F127	V50-I129 HydrophobicContact CB-CG2 4.02Å; V50-I129 HydrophobicContact CG1-CG2 3.99Å; H51-I129 WeakPolarHBondContact O-CA 3.33Å; W88-I129 HydrophobicContact CD2-CD1 4.2Å; W88-I129 HydrophobicContact CH2-CD1 4.33Å; W88-I129 HydrophobicContact CZ2-CD1 3.81Å; W88-I129 HydrophobicContact CZ2-CG1 4.45Å; L92-I129 HydrophobicContact CD1-CD1 4.2Å; L92-I129 HydrophobicContact CD2-CB 4.37Å; L92-I129 HydrophobicContact CD2-CD1 3.84Å; L92-I129 HydrophobicContact CD2-CG2 4.06Å; L92-I129 HydrophobicContact CG-CD1 4.39Å; K100-I129 CarbonylContact C-O 3.48Å; K100-I129 VanDerWaalsContact CA-O 3.32Å; K100-I129 WeakPolarHBondContact CA-O 3.42Å; R101-I129 PolarHBondContact N-O 2.65Å; R101-I129 PolarHBondContact O-N 2.85Å; L103-I129 HydrophobicContact CD1-CD1 3.73Å; L103-I129 HydrophobicContact CG-CD1 4.28Å; F127-I129 HydrophobicContact CB-CD1 3.9Å; F127-I129 HydrophobicContact CB-CG1 3.9Å; F127-I129 HydrophobicContact CG-CD1 4.47Å
130	D	98.4	Very high	93	Very high	41 Å²	41	42.9 Å²	42.9	22%	0.219	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	124.1	175.7	-70.4	-3.7	0	0	0	108.7	V50 H51 K100 L132	V50-D130 VanDerWaalsContact CA-O 3.25Å; V50-D130 WeakPolarHBondContact CA-O 3.4Å; H51-D130 HydrophobicContact CB-CB 4.23Å; H51-D130 PolarHBondContact N-O 2.96Å; H51-D130 PolarHBondContact O-N 3.19Å; K100-D130 WeakPolarHBondContact CB-OD1 3.45Å; K100-D130 WeakPolarHBondContact CD-OD1 3.37Å; K100-D130 WeakPolarHBondContact CG-OD1 3.29Å; K100-D130 IonicContact NZ-OD1 2.77Å; K100-D130 PolarHBondContact NZ-OD1 2.94Å; K100-D130 IonicContact NZ-OD2 3.45Å; K100-D130 PolarHBondContact NZ-OD2 3.33Å; D130-L132 HydrophobicContact CB-CD1 4.1Å; D130-L132 WeakPolarHBondContact O-CD1 3.38Å
131	L	98.4	Very high	92.2	Very high	3 Å²	3	43 Å²	43	2%	0.016	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	115.7	176.7	180	55.4	0	0	0	110.9	T42 M48 V50 M95 C96 G98 E99 E133 I134	T42-L131 HydrophobicContact CG2-CD2 3.61Å; M48-L131 HydrophobicContact CB-CD1 3.91Å; M48-L131 HydrophobicContact CE-CD1 3.7Å; M48-L131 HydrophobicContact CE-CD2 4.01Å; M48-L131 HydrophobicContact CE-CG 4.38Å; M48-L131 HydrophobicContact CG-CD1 4.29Å; V50-L131 HydrophobicContact CG1-CD1 4.03Å; M95-L131 HydrophobicContact CB-CD2 3.87Å; M95-L131 HydrophobicContact CE-CB 3.68Å; M95-L131 HydrophobicContact CG-CB 4.39Å; M95-L131 HydrophobicContact CG-CD2 3.86Å; M95-L131 HydrophobicContact SD-CB 4.17Å; M95-L131 HydrophobicContact SD-CD2 4.33Å; C96-L131 WeakPolarHBondContact O-CD2 3.37Å; G98-L131 PolarHBondContact N-O 3.24Å; E99-L131 PolarHBondContact O-N 3.12Å; L131-E133 WeakPolarHBondContact CD1-O 3.25Å; L131-I134 HydrophobicContact CD1-CG1 4.24Å; L131-I134 HydrophobicContact CD2-CD1 4Å; L131-I134 HydrophobicContact CD2-CG1 3.93Å; L131-I134 HydrophobicContact CG-CG1 4.34Å
132	L	97.8	Very high	91.6	Very high	68 Å²	68	41.7 Å²	41.7	36%	0.356	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-36.5	-176.1	-75.4	69.7	0	0	0	112.7	L49 H51 P74 V97 D130	L49-L132 HydrophobicContact CB-CB 4.31Å; L49-L132 HydrophobicContact CD2-CB 4.16Å; L49-L132 HydrophobicContact CG-CB 4.2Å; L49-L132 WeakPolarHBondContact O-CB 3.33Å; L49-L132 PolarHBondContact O-N 3.23Å; H51-L132 HydrophobicContact CB-CD1 4.13Å; P74-L132 HydrophobicContact CB-CD2 4.1Å; P74-L132 HydrophobicContact CG-CD2 4.15Å; V97-L132 WeakPolarHBondContact CG1-O 3.34Å; D130-L132 HydrophobicContact CB-CD1 4.1Å; D130-L132 WeakPolarHBondContact O-CD1 3.38Å
133	E	97.2	Very high	91	Very high	64 Å²	64	37.5 Å²	37.5	30%	0.299	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	150	-176.1	-162.2	178.7	159.4	0	0	110.6	L49 W76 L131 R135	L49-E133 HydrophobicContact CB-CB 3.72Å; L49-E133 HydrophobicContact CD2-CB 4.16Å; L49-E133 PolarHBondContact N-O 2.94Å; L49-E133 PolarHBondContact O-N 2.79Å; W76-E133 HydrophobicContact CH2-CB 4.15Å; W76-E133 HydrophobicContact CH2-CG 4.25Å; L131-E133 WeakPolarHBondContact CD1-O 3.25Å; E133-R135 IonicContact OE1-CZ 2.64Å; E133-R135 VanDerWaalsContact OE1-CZ 3.26Å; E133-R135 IonicContact OE1-NE 2.66Å; E133-R135 PolarHBondContact OE1-NE 3.07Å; E133-R135 IonicContact OE1-NH2 3.46Å; E133-R135 PolarHBondContact OE1-NH2 2.99Å; E133-R135 IonicContact OE2-NE 3.77Å; E133-R135 IonicContact OE2-NH2 2.71Å; E133-R135 PolarHBondContact OE2-NH2 3.4Å
134	I	95.9	Very high	90.5	Very high	18 Å²	18	36.7 Å²	36.7	9%	0.092	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	126.1	170.6	-52.9	168.1	0	0	0	108.1	R40 T42 D46 L47 V97 L131	R40-I134 HydrophobicContact CG-CD1 4.23Å; R40-I134 VanDerWaalsContact NE-CG2 3.31Å; T42-I134 HydrophobicContact CG2-CD1 3.59Å; T42-I134 HydrophobicContact CG2-CG1 3.82Å; T42-I134 HydrophobicContact CG2-CG2 4.47Å; D46-I134 HydrophobicContact CB-CG2 3.88Å; D46-I134 WeakPolarHBondContact OD2-CG2 3.46Å; L47-I134 CarbonylContact O-C 3.53Å; L47-I134 WeakPolarHBondContact O-CA 3.37Å; V97-I134 HydrophobicContact CG2-CB 4.47Å; V97-I134 HydrophobicContact CG2-CD1 3.99Å; V97-I134 HydrophobicContact CG2-CG1 3.76Å; L131-I134 HydrophobicContact CD1-CG1 4.24Å; L131-I134 HydrophobicContact CD2-CD1 4Å; L131-I134 HydrophobicContact CD2-CG1 3.93Å; L131-I134 HydrophobicContact CG-CG1 4.34Å
135	R	91.7	Very high	90.2	Very high	126 Å²	126	39.4 Å²	39.4	48%	0.475	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	158	170.7	-67.9	-173.5	-177.4	-174.4	5.8	110.3	D46 L47 W76 E133 G137	D46-R135 WeakPolarHBondContact CA-O 3.2Å; L47-R135 HydrophobicContact CB-CB 4.05Å; L47-R135 PolarHBondContact N-O 2.86Å; L47-R135 PolarHBondContact O-N 2.75Å; W76-R135 HydrophobicContact CH2-CB 4.47Å; W76-R135 HydrophobicContact CH2-CG 3.77Å; W76-R135 HydrophobicContact CZ3-CB 4.28Å; W76-R135 HydrophobicContact CZ3-CG 4.05Å; E133-R135 IonicContact OE1-CZ 2.64Å; E133-R135 VanDerWaalsContact OE1-CZ 3.26Å; E133-R135 IonicContact OE1-NE 2.66Å; E133-R135 PolarHBondContact OE1-NE 3.07Å; E133-R135 IonicContact OE1-NH2 3.46Å; E133-R135 PolarHBondContact OE1-NH2 2.99Å; E133-R135 IonicContact OE2-NE 3.77Å; E133-R135 IonicContact OE2-NH2 2.71Å; E133-R135 PolarHBondContact OE2-NH2 3.4Å; R135-G137 PolarHBondContact O-N 3.15Å
136	N	86.3	Confident	89.9	Confident	63 Å²	63	45 Å²	45	34%	0.337	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	118.3	164.8	-65.2	-4.1	0	0	0	106.9	R40 S140 E142	R40-N136 VanDerWaalsContact CZ-OD1 3.25Å; R40-N136 PolarHBondContact NH1-OD1 3.36Å; R40-N136 PolarHBondContact NH2-OD1 3.04Å; N136-S140 WeakPolarHBondContact CB-OG 3.49Å; N136-E142 VanDerWaalsContact ND2-CB 3.27Å; N136-E142 WeakPolarHBondContact ND2-CB 3.46Å; N136-E142 VanDerWaalsContact ND2-CG 3.31Å; N136-E142 WeakPolarHBondContact ND2-CG 3.02Å
137	G	79.7	Confident	89.6	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.01	22%	0.215	C	C	.	.			trans	-81.2	171	171.7	0	0	0	0	0	111.5	G45 R135 R139 S140 S143	G45-G137 WeakPolarHBondContact O-CA 3.36Å; G45-G137 PolarHBondContact O-N 2.72Å; G45-G137 VanDerWaalsContact O-N 3.09Å; R135-G137 PolarHBondContact O-N 3.15Å; G137-R139 PolarHBondContact O-N 3.48Å; G137-S140 WeakPolarHBondContact O-CB 3.37Å; G137-S140 PolarHBondContact O-N 2.79Å; G137-S143 PolarHBondContact O-OG 3.18Å
138	P	72.1	Confident	89.4	Confident	86 Å²	86	44.3 Å²	44.3	56%	0.558	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-14.7	-178.8	26.9	-35.8	0	0	0	113.3	F204	P138-F204 WeakPolarHBondContact O-CZ 2.98Å
139	R	75.3	Confident	89.2	Confident	52 Å²	52	48 Å²	48	20%	0.196	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	19.2	175.7	-68.3	-160.7	-86.6	-141.4	2.6	114.1	I81 G137 F204	I81-R139 VanDerWaalsContact CB-NH2 3.31Å; G137-R139 PolarHBondContact O-N 3.48Å; R139-F204 VanDerWaalsContact CA-CE1 3.46Å; R139-F204 HydrophobicContact CB-CE1 4.25Å; R139-F204 HydrophobicContact CB-CZ 4.41Å; R139-F204 WeakPolarHBondContact CD-O 3.31Å; R139-F204 HydrophobicContact CG-CE2 4.44Å; R139-F204 HydrophobicContact CG-CZ 4.37Å
140	S	77.3	Confident	89.1	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.256	C	S	.	.	S	Bend	trans	-77	157.9	176.1	96.3	0	0	0	0	111	N136 G137 E142 S143 F144	N136-S140 WeakPolarHBondContact CB-OG 3.49Å; G137-S140 WeakPolarHBondContact O-CB 3.37Å; G137-S140 PolarHBondContact O-N 2.79Å; S140-E142 WeakPolarHBondContact CB-OE2 3.31Å; S140-E142 PolarHBondContact O-N 3.05Å; S140-E142 PolarHBondContact OG-N 3.46Å; S140-E142 PolarHBondContact OG-OE2 2.92Å; S140-S143 PolarHBondContact O-N 2.71Å; S140-S143 PolarHBondContact OG-N 2.9Å; S140-F144 PolarHBondContact O-N 2.96Å
141	H	81.4	Confident	88.9	Confident	67 Å²	67	55.9 Å²	55.9	31%	0.31	28%	0.277	S	S	.	.	H	α-helix	trans	-54.5	-37.8	173.8	179	55.6	0	0	0	112.2	F144 Q145 W153	H141-F144 WeakPolarHBondContact O-CB 3.47Å; H141-F144 PolarHBondContact O-N 3.48Å; H141-Q145 VanDerWaalsContact NE2-CD 3.28Å; H141-Q145 PolarHBondContact NE2-NE2 3.32Å; H141-Q145 WeakPolarHBondContact O-CG 3.32Å; H141-Q145 PolarHBondContact O-N 2.88Å; H141-W153 AromaticContact CE1-CH2 3.36Å; H141-W153 WeakPolarHBondContact CE1-CH2 3.35Å; H141-W153 AromaticContact CE1-CZ3 3.43Å; H141-W153 VanDerWaalsContact CE1-CZ3 3.43Å; H141-W153 WeakPolarHBondContact CE1-CZ3 3.46Å; H141-W153 AromaticContact ND1-CZ3 3.99Å
142	E	84.2	Confident	88.7	Confident	50 Å²	50	59 Å²	59	23%	0.234	29%	0.294	C	S	.	.	H	α-helix	trans	-65.5	-40.3	176.4	-58.8	79.9	-175.7	0	0	111.8	K43 N136 S140 F144 Q145 E146	K43-E142 IonicContact NZ-OE1 2.71Å; K43-E142 PolarHBondContact NZ-OE1 2.02Å; K43-E142 IonicContact NZ-OE2 3.98Å; K43-E142 PolarHBondContact NZ-OE2 3.41Å; N136-E142 VanDerWaalsContact ND2-CB 3.27Å; N136-E142 WeakPolarHBondContact ND2-CB 3.46Å; N136-E142 VanDerWaalsContact ND2-CG 3.31Å; N136-E142 WeakPolarHBondContact ND2-CG 3.02Å; S140-E142 WeakPolarHBondContact CB-OE2 3.31Å; S140-E142 PolarHBondContact O-N 3.05Å; S140-E142 PolarHBondContact OG-N 3.46Å; S140-E142 PolarHBondContact OG-OE2 2.92Å; E142-F144 VanDerWaalsContact C-N 3.31Å; E142-F144 PolarHBondContact O-N 2.66Å; E142-Q145 PolarHBondContact O-N 3.42Å; E142-E146 WeakPolarHBondContact O-CG 3Å; E142-E146 PolarHBondContact O-N 2.97Å
143	S	84.8	Confident	88.5	Confident	11 Å²	11	62.8 Å²	62.8	8%	0.077	30%	0.303	C	S	.	.	H	α-helix	trans	-65.9	-34.7	173.2	-67.2	0	0	0	0	112.5	G137 S140 E146 M147	G137-S143 PolarHBondContact O-OG 3.18Å; S140-S143 PolarHBondContact O-N 2.71Å; S140-S143 PolarHBondContact OG-N 2.9Å; S143-E146 PolarHBondContact O-N 3.49Å; S143-M147 WeakPolarHBondContact O-CG 3.36Å; S143-M147 PolarHBondContact O-N 3.14Å
144	F	89.2	Confident	88.4	Confident	3 Å²	3	62.6 Å²	62.6	1%	0.013	30%	0.302	C	S	.	.	H	α-helix	trans	-61.3	-50.1	171.8	-173.9	-87.9	0	0	0	111.1	S140 H141 E142 E146 M147 D148 W153 L155 A201 F204	S140-F144 PolarHBondContact O-N 2.96Å; H141-F144 WeakPolarHBondContact O-CB 3.47Å; H141-F144 PolarHBondContact O-N 3.48Å; E142-F144 VanDerWaalsContact C-N 3.31Å; E142-F144 PolarHBondContact O-N 2.66Å; F144-E146 PolarHBondContact O-N 2.77Å; F144-M147 PolarHBondContact O-N 3.3Å; F144-D148 HydrophobicContact CD1-CB 4.21Å; F144-D148 HydrophobicContact CE1-CB 3.85Å; F144-D148 PolarHBondContact O-N 3.01Å; F144-W153 VanDerWaalsContact CZ-C 3.49Å; F144-W153 WeakPolarHBondContact CZ-O 3.43Å; F144-L155 HydrophobicContact CD2-CD1 3.96Å; F144-L155 HydrophobicContact CD2-CD2 4.19Å; F144-L155 HydrophobicContact CD2-CG 4.04Å; F144-L155 HydrophobicContact CE1-CD2 4.45Å; F144-L155 HydrophobicContact CE2-CD1 3.87Å; F144-L155 HydrophobicContact CE2-CD2 3.85Å; F144-L155 HydrophobicContact CE2-CG 3.51Å; F144-L155 HydrophobicContact CZ-CD2 3.98Å; F144-L155 HydrophobicContact CZ-CG 3.99Å; F144-A201 HydrophobicContact CD1-CB 4.49Å; F144-A201 HydrophobicContact CD2-CB 4.46Å; F144-A201 HydrophobicContact CE1-CB 4.07Å; F144-A201 VanDerWaalsContact CE2-CA 3.47Å; F144-A201 HydrophobicContact CE2-CB 4Å; F144-A201 HydrophobicContact CZ-CB 3.8Å; F144-F204 HydrophobicContact CB-CD1 3.84Å; F144-F204 HydrophobicContact CB-CE1 3.64Å; F144-F204 HydrophobicContact CB-CZ 4.33Å; F144-F204 HydrophobicContact CD2-CB 3.75Å; F144-F204 AromaticContact CD2-CD1 3.54Å; F144-F204 HydrophobicContact CD2-CD1 3.54Å; F144-F204 HydrophobicContact CD2-CD2 4.25Å; F144-F204 HydrophobicContact CD2-CE1 4.09Å; F144-F204 AromaticContact CD2-CG 3.58Å; F144-F204 HydrophobicContact CD2-CG 3.58Å; F144-F204 HydrophobicContact CE2-CB 4Å; F144-F204 HydrophobicContact CE2-CG 4.28Å; F144-F204 HydrophobicContact CG-CD1 4.15Å; F144-F204 HydrophobicContact CG-CE1 4.38Å
145	Q	91.1	Very high	88.4	Confident	95 Å²	95	61.9 Å²	61.9	44%	0.444	30%	0.298	S	S	.	.	H	α-helix	trans	-62.6	-28.2	178.2	-70.5	179.7	-52	0	0	113.4	H141 E142 M147	H141-Q145 VanDerWaalsContact NE2-CD 3.28Å; H141-Q145 PolarHBondContact NE2-NE2 3.32Å; H141-Q145 WeakPolarHBondContact O-CG 3.32Å; H141-Q145 PolarHBondContact O-N 2.88Å; E142-Q145 PolarHBondContact O-N 3.42Å; Q145-M147 VanDerWaalsContact C-N 3.27Å
146	E	91.4	Very high	88.7	Confident	116 Å²	116	56.9 Å²	56.9	54%	0.542	28%	0.282	S	S	.	.	H	α-helix	trans	-70.3	-24.5	173.4	-76.5	177	-169.5	0	0	113.1	E142 S143 F144	E142-E146 WeakPolarHBondContact O-CG 3Å; E142-E146 PolarHBondContact O-N 2.97Å; S143-E146 PolarHBondContact O-N 3.49Å; F144-E146 PolarHBondContact O-N 2.77Å
147	M	93.3	Very high	89.2	Confident	15 Å²	15	57.3 Å²	57.3	7%	0.074	28%	0.281	C	S	.	.	H	α-helix	trans	-97	-35.4	-180	-64.9	-172.4	-68.3	0	0	113.2	S143 F144 Q145 L149 L155 E159 Y163 F204	S143-M147 WeakPolarHBondContact O-CG 3.36Å; S143-M147 PolarHBondContact O-N 3.14Å; F144-M147 PolarHBondContact O-N 3.3Å; Q145-M147 VanDerWaalsContact C-N 3.27Å; M147-L149 WeakPolarHBondContact O-CG 3.45Å; M147-L149 PolarHBondContact O-N 3.33Å; M147-L155 HydrophobicContact CB-CD1 4.33Å; M147-L155 HydrophobicContact CB-CD2 3.68Å; M147-L155 HydrophobicContact CE-CD1 3.49Å; M147-L155 VanDerWaalsContact CE-CD1 3.49Å; M147-L155 HydrophobicContact SD-CD1 4.25Å; M147-E159 WeakPolarHBondContact O-CB 2.89Å; M147-Y163 HydrophobicContact CG-CD1 4.04Å; M147-Y163 HydrophobicContact CG-CD2 3.5Å; M147-Y163 HydrophobicContact CG-CE1 4.45Å; M147-Y163 HydrophobicContact CG-CE2 3.95Å; M147-Y163 HydrophobicContact CG-CG 3.55Å; M147-Y163 HydrophobicContact SD-CD1 3.82Å; M147-Y163 HydrophobicContact SD-CD2 4.37Å; M147-Y163 HydrophobicContact SD-CE1 4.17Å; M147-Y163 HydrophobicContact SD-CG 3.93Å; M147-F204 HydrophobicContact CE-CD2 3.99Å; M147-F204 HydrophobicContact CE-CE1 4.43Å; M147-F204 HydrophobicContact CE-CE2 3.15Å; M147-F204 HydrophobicContact CE-CZ 3.36Å
148	D	95.5	Very high	89.9	Confident	8 Å²	8	63.4 Å²	63.4	4%	0.043	31%	0.313	C	S	.	.			trans	-71.8	93.7	176	-179	-2.3	0	0	0	109.1	F144 N150 D151 D152 W153 L155	F144-D148 HydrophobicContact CD1-CB 4.21Å; F144-D148 HydrophobicContact CE1-CB 3.85Å; F144-D148 PolarHBondContact O-N 3.01Å; D148-N150 VanDerWaalsContact C-N 3.28Å; D148-N150 PolarHBondContact O-N 3.21Å; D148-N150 PolarHBondContact OD1-N 3.28Å; D148-N150 PolarHBondContact OD1-OD1 3.18Å; D148-D151 WeakPolarHBondContact OD1-CA 3.26Å; D148-D151 PolarHBondContact OD1-N 2.84Å; D148-D152 PolarHBondContact OD1-N 2.82Å; D148-D152 PolarHBondContact OD2-N 2.8Å; D148-W153 WeakPolarHBondContact OD2-CA 3.34Å; D148-W153 PolarHBondContact OD2-N 2.89Å; D148-L155 HydrophobicContact CB-CD2 3.89Å
149	L	94.5	Very high	91.1	Very high	121 Å²	121	59.8 Å²	59.8	63%	0.634	29%	0.289	S	S	*	.	S	Bend	trans	-81.2	-14	-172.2	-62.1	-178.7	0	0	0	112.5	M147 E159 A162	M147-L149 WeakPolarHBondContact O-CG 3.45Å; M147-L149 PolarHBondContact O-N 3.33Å; L149-E159 HydrophobicContact CB-CG 4.19Å; L149-E159 HydrophobicContact CD1-CG 4.23Å; L149-E159 HydrophobicContact CG-CG 4.07Å; L149-E159 PolarHBondContact N-OE1 2.96Å; L149-E159 VanDerWaalsContact N-OE1 3.13Å; L149-A162 HydrophobicContact CD1-CB 4.47Å
150	N	95.5	Very high	92	Very high	85 Å²	85	57.8 Å²	57.8	46%	0.455	28%	0.283	S	S	.	.	S	Bend	trans	-115.8	-0.6	-173.8	74.3	50.1	0	0	0	113.3	D148 D152 E159	D148-N150 VanDerWaalsContact C-N 3.28Å; D148-N150 PolarHBondContact O-N 3.21Å; D148-N150 PolarHBondContact OD1-N 3.28Å; D148-N150 PolarHBondContact OD1-OD1 3.18Å; N150-D152 VanDerWaalsContact C-N 3.31Å; N150-D152 PolarHBondContact O-N 2.93Å; N150-D152 WeakPolarHBondContact OD1-CB 3.44Å; N150-D152 PolarHBondContact OD1-N 3.36Å; N150-D152 PolarHBondContact OD1-OD1 2.95Å; N150-D152 VanDerWaalsContact OD1-OD1 3.07Å; N150-D152 PolarHBondContact OD1-OD2 2.94Å; N150-E159 PolarHBondContact ND2-OE1 3.04Å
151	D	94	Very high	92.8	Very high	122 Å²	122	60.4 Å²	60.4	65%	0.652	29%	0.294	S	S	*	.			trans	59.9	30.8	178.1	-63.5	-59.5	0	0	0	113.9	D148	D148-D151 WeakPolarHBondContact OD1-CA 3.26Å; D148-D151 PolarHBondContact OD1-N 2.84Å
152	D	95.3	Very high	93.4	Very high	68 Å²	68	59.3 Å²	59.3	36%	0.364	30%	0.297	S	S	.	.	S	Bend	trans	-92.7	6.1	-179.8	79	-5.3	0	0	0	114.7	D148 N150 K154	D148-D152 PolarHBondContact OD1-N 2.82Å; D148-D152 PolarHBondContact OD2-N 2.8Å; N150-D152 VanDerWaalsContact C-N 3.31Å; N150-D152 PolarHBondContact O-N 2.93Å; N150-D152 WeakPolarHBondContact OD1-CB 3.44Å; N150-D152 PolarHBondContact OD1-N 3.36Å; N150-D152 PolarHBondContact OD1-OD1 2.95Å; N150-D152 VanDerWaalsContact OD1-OD1 3.07Å; N150-D152 PolarHBondContact OD1-OD2 2.94Å; D152-K154 VanDerWaalsContact C-N 3.29Å; D152-K154 VanDerWaalsContact CG-CG 3.48Å; D152-K154 PolarHBondContact O-N 3.4Å; D152-K154 WeakPolarHBondContact OD1-CG 3.08Å; D152-K154 PolarHBondContact OD1-N 3.2Å; D152-K154 WeakPolarHBondContact OD2-CE 3.12Å
153	W	92	Very high	93.7	Very high	148 Å²	148	59.5 Å²	59.5	56%	0.561	30%	0.296	S	S	*	.	S	Bend	trans	67.1	22.8	177.2	-67.2	79.2	0	0	0	115.1	H141 F144 D148 A201	H141-W153 AromaticContact CE1-CH2 3.36Å; H141-W153 WeakPolarHBondContact CE1-CH2 3.35Å; H141-W153 AromaticContact CE1-CZ3 3.43Å; H141-W153 VanDerWaalsContact CE1-CZ3 3.43Å; H141-W153 WeakPolarHBondContact CE1-CZ3 3.46Å; H141-W153 AromaticContact ND1-CZ3 3.99Å; F144-W153 VanDerWaalsContact CZ-C 3.49Å; F144-W153 WeakPolarHBondContact CZ-O 3.43Å; D148-W153 WeakPolarHBondContact OD2-CA 3.34Å; D148-W153 PolarHBondContact OD2-N 2.89Å; W153-A201 HydrophobicContact CE3-CB 4.02Å; W153-A201 PolarHBondContact O-N 3.21Å; W153-A201 VanDerWaalsContact O-N 3.15Å
154	K	95.5	Very high	93.9	Very high	60 Å²	60	60.4 Å²	60.4	26%	0.261	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	156.8	172	55.5	179.3	-175.2	162.7	0	110.5	D152 F198 I199	D152-K154 VanDerWaalsContact C-N 3.29Å; D152-K154 VanDerWaalsContact CG-CG 3.48Å; D152-K154 PolarHBondContact O-N 3.4Å; D152-K154 WeakPolarHBondContact OD1-CG 3.08Å; D152-K154 PolarHBondContact OD1-N 3.2Å; D152-K154 WeakPolarHBondContact OD2-CE 3.12Å; K154-F198 HydrophobicContact CB-CB 4.07Å; K154-F198 HydrophobicContact CD-CB 3.93Å; K154-F198 HydrophobicContact CD-CD1 3.75Å; K154-F198 HydrophobicContact CD-CD2 4.24Å; K154-F198 HydrophobicContact CD-CE1 4.32Å; K154-F198 HydrophobicContact CD-CG 3.71Å; K154-F198 HydrophobicContact CG-CB 4.34Å; K154-F198 HydrophobicContact CG-CD1 4.09Å; K154-F198 HydrophobicContact CG-CG 4.36Å; K154-I199 CarbonylContact C-O 3.55Å; K154-I199 WeakPolarHBondContact CA-O 3.19Å
155	L	96.5	Very high	94	Very high	2 Å²	2	65 Å²	65	1%	0.01	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	121.9	-179.8	-53.8	177	0	0	0	109.7	F144 M147 D148 V160 F188 F198 I199 F204	F144-L155 HydrophobicContact CD2-CD1 3.96Å; F144-L155 HydrophobicContact CD2-CD2 4.19Å; F144-L155 HydrophobicContact CD2-CG 4.04Å; F144-L155 HydrophobicContact CE1-CD2 4.45Å; F144-L155 HydrophobicContact CE2-CD1 3.87Å; F144-L155 HydrophobicContact CE2-CD2 3.85Å; F144-L155 HydrophobicContact CE2-CG 3.51Å; F144-L155 HydrophobicContact CZ-CD2 3.98Å; F144-L155 HydrophobicContact CZ-CG 3.99Å; M147-L155 HydrophobicContact CB-CD1 4.33Å; M147-L155 HydrophobicContact CB-CD2 3.68Å; M147-L155 HydrophobicContact CE-CD1 3.49Å; M147-L155 VanDerWaalsContact CE-CD1 3.49Å; M147-L155 HydrophobicContact SD-CD1 4.25Å; D148-L155 HydrophobicContact CB-CD2 3.89Å; L155-V160 HydrophobicContact CB-CG2 4Å; L155-V160 HydrophobicContact CD1-CG2 4.4Å; L155-F188 WeakPolarHBondContact O-CZ 3.19Å; L155-F198 CarbonylContact O-C 3.57Å; L155-F198 WeakPolarHBondContact O-CA 3.33Å; L155-I199 HydrophobicContact CB-CB 4.3Å; L155-I199 PolarHBondContact N-O 3.43Å; L155-I199 PolarHBondContact O-N 3.47Å; L155-F204 HydrophobicContact CD1-CD2 3.99Å; L155-F204 HydrophobicContact CD1-CE2 4.37Å
156	S	97.3	Very high	94	Very high	22 Å²	22	67.2 Å²	67.2	15%	0.154	33%	0.328	C	S	.	.			trans	-80.8	159.6	168.3	65.7	0	0	0	0	111.6	D158 E159 V160 F188	S156-D158 PolarHBondContact O-N 2.9Å; S156-E159 WeakPolarHBondContact CB-OE2 3.33Å; S156-E159 PolarHBondContact N-OE2 3.45Å; S156-E159 PolarHBondContact O-N 3.07Å; S156-E159 VanDerWaalsContact O-N 3.17Å; S156-E159 VanDerWaalsContact OG-CD 3.25Å; S156-E159 WeakPolarHBondContact OG-CG 3.41Å; S156-E159 PolarHBondContact OG-N 2.95Å; S156-E159 PolarHBondContact OG-OE2 3.03Å; S156-V160 PolarHBondContact O-N 3.09Å; S156-V160 VanDerWaalsContact O-N 3.11Å; S156-F188 VanDerWaalsContact C-CZ 3.41Å
157	K	96.2	Very high	93.7	Very high	72 Å²	72	63.8 Å²	63.8	31%	0.313	31%	0.311	S	S	.	.	H	α-helix	trans	-55.9	-37.5	173.7	-70.2	-177.4	174	-175.4	0	112.2	V160 K161 V184 E185 F188	K157-V160 PolarHBondContact O-N 3.23Å; K157-K161 VanDerWaalsContact O-CB 3.23Å; K157-K161 WeakPolarHBondContact O-CB 3.46Å; K157-K161 PolarHBondContact O-N 2.71Å; K157-V184 HydrophobicContact CB-CG1 3.85Å; K157-V184 HydrophobicContact CG-CG1 4.02Å; K157-E185 WeakPolarHBondContact CD-OE1 3.43Å; K157-E185 WeakPolarHBondContact CE-OE1 3.28Å; K157-E185 IonicContact NZ-OE1 2.65Å; K157-E185 PolarHBondContact NZ-OE1 3.28Å; K157-E185 IonicContact NZ-OE2 2.74Å; K157-E185 PolarHBondContact NZ-OE2 3.24Å; K157-F188 HydrophobicContact CB-CE2 4.32Å; K157-F188 HydrophobicContact CB-CZ 4.22Å; K157-F188 HydrophobicContact CD-CD1 4.42Å; K157-F188 HydrophobicContact CD-CG 4.43Å; K157-F188 HydrophobicContact CG-CD1 3.67Å; K157-F188 HydrophobicContact CG-CD2 3.82Å; K157-F188 HydrophobicContact CG-CE1 3.58Å; K157-F188 HydrophobicContact CG-CE2 3.74Å; K157-F188 HydrophobicContact CG-CG 3.8Å; K157-F188 HydrophobicContact CG-CZ 3.64Å; K157-F188 VanDerWaalsContact N-CZ 3.28Å
158	D	96.2	Very high	93.3	Very high	128 Å²	128	66.7 Å²	66.7	68%	0.684	32%	0.324	S	S	*	.	H	α-helix	trans	-65.8	-39.3	179.1	-72.8	-33.1	0	0	0	112.2	S156 K161 A162	S156-D158 PolarHBondContact O-N 2.9Å; D158-K161 PolarHBondContact O-N 2.83Å; D158-A162 VanDerWaalsContact O-CB 3.28Å; D158-A162 WeakPolarHBondContact O-CB 3.48Å; D158-A162 PolarHBondContact O-N 3.46Å
159	E	96.6	Very high	93	Very high	11 Å²	11	71.6 Å²	71.6	5%	0.051	35%	0.346	C	S	.	.	H	α-helix	trans	-67	-45.9	176.6	-78.2	161.6	151.8	0	0	111.9	M147 L149 N150 S156 K161 A162 Y163	M147-E159 WeakPolarHBondContact O-CB 2.89Å; L149-E159 HydrophobicContact CB-CG 4.19Å; L149-E159 HydrophobicContact CD1-CG 4.23Å; L149-E159 HydrophobicContact CG-CG 4.07Å; L149-E159 PolarHBondContact N-OE1 2.96Å; L149-E159 VanDerWaalsContact N-OE1 3.13Å; N150-E159 PolarHBondContact ND2-OE1 3.04Å; S156-E159 WeakPolarHBondContact CB-OE2 3.33Å; S156-E159 PolarHBondContact N-OE2 3.45Å; S156-E159 PolarHBondContact O-N 3.07Å; S156-E159 VanDerWaalsContact O-N 3.17Å; S156-E159 VanDerWaalsContact OG-CD 3.25Å; S156-E159 WeakPolarHBondContact OG-CG 3.41Å; S156-E159 PolarHBondContact OG-N 2.95Å; S156-E159 PolarHBondContact OG-OE2 3.03Å; E159-K161 PolarHBondContact O-N 2.81Å; E159-A162 PolarHBondContact O-N 2.82Å; E159-Y163 WeakPolarHBondContact O-CB 3.33Å; E159-Y163 PolarHBondContact O-N 2.89Å
160	V	94.3	Very high	92.6	Very high	10 Å²	10	72.5 Å²	72.5	6%	0.061	35%	0.345	C	S	.	.	H	α-helix	trans	-63.3	-43	175.7	179.1	0	0	0	0	110.7	L155 S156 K157 A162 Y163 L164 V184 I187 F188	L155-V160 HydrophobicContact CB-CG2 4Å; L155-V160 HydrophobicContact CD1-CG2 4.4Å; S156-V160 PolarHBondContact O-N 3.09Å; S156-V160 VanDerWaalsContact O-N 3.11Å; K157-V160 PolarHBondContact O-N 3.23Å; V160-A162 VanDerWaalsContact C-N 3.35Å; V160-A162 PolarHBondContact O-N 3.26Å; V160-Y163 PolarHBondContact O-N 2.7Å; V160-L164 HydrophobicContact CG1-CD1 4.05Å; V160-L164 HydrophobicContact CG1-CG 4.41Å; V160-L164 WeakPolarHBondContact O-CB 3.38Å; V160-L164 WeakPolarHBondContact O-CG 3.33Å; V160-L164 PolarHBondContact O-N 2.68Å; V160-V184 HydrophobicContact CG1-CG2 4.31Å; V160-I187 HydrophobicContact CG1-CD1 4.31Å; V160-F188 HydrophobicContact CB-CE2 4.04Å; V160-F188 HydrophobicContact CG1-CE2 4.47Å; V160-F188 HydrophobicContact CG2-CE2 3.74Å; V160-F188 HydrophobicContact CG2-CZ 4.03Å
161	K	93.9	Very high	92	Very high	54 Å²	54	75.5 Å²	75.5	24%	0.235	36%	0.356	C	S	.	.	H	α-helix	trans	-59.1	-45.2	174.7	-176.4	173.8	174.9	171	0	111.3	K157 D158 E159 K165 E177 D181 V184	K157-K161 VanDerWaalsContact O-CB 3.23Å; K157-K161 WeakPolarHBondContact O-CB 3.46Å; K157-K161 PolarHBondContact O-N 2.71Å; D158-K161 PolarHBondContact O-N 2.83Å; E159-K161 PolarHBondContact O-N 2.81Å; K161-K165 WeakPolarHBondContact O-CB 3.04Å; K161-K165 PolarHBondContact O-N 2.93Å; K161-E177 IonicContact NZ-OE1 3.19Å; K161-E177 PolarHBondContact NZ-OE1 2.82Å; K161-D181 VanDerWaalsContact CD-OD1 3.31Å; K161-D181 WeakPolarHBondContact CD-OD1 3.43Å; K161-D181 WeakPolarHBondContact CE-OD1 3.36Å; K161-D181 IonicContact NZ-OD1 2.65Å; K161-D181 PolarHBondContact NZ-OD1 3.49Å; K161-D181 IonicContact NZ-OD2 3.47Å; K161-D181 PolarHBondContact NZ-OD2 2.91Å; K161-V184 HydrophobicContact CB-CG2 4.02Å
162	A	93.4	Very high	91.4	Very high	45 Å²	45	73 Å²	73	37%	0.372	36%	0.359	S	S	.	.	H	α-helix	trans	-63.3	-43.3	178.5	0	0	0	0	0	112	L149 D158 E159 V160 K166	L149-A162 HydrophobicContact CD1-CB 4.47Å; D158-A162 VanDerWaalsContact O-CB 3.28Å; D158-A162 WeakPolarHBondContact O-CB 3.48Å; D158-A162 PolarHBondContact O-N 3.46Å; E159-A162 PolarHBondContact O-N 2.82Å; V160-A162 VanDerWaalsContact C-N 3.35Å; V160-A162 PolarHBondContact O-N 3.26Å; A162-K166 WeakPolarHBondContact O-CB 3.35Å; A162-K166 PolarHBondContact O-N 3.04Å; A162-K166 VanDerWaalsContact O-N 3.08Å
163	Y	91.9	Very high	90.7	Very high	53 Å²	53	71.8 Å²	71.8	21%	0.208	36%	0.359	C	S	.	.	H	α-helix	trans	-62.9	-50.8	177	-179.7	-97.8	0	0	0	112.1	M147 E159 V160 K165 K166 E167	M147-Y163 HydrophobicContact CG-CD1 4.04Å; M147-Y163 HydrophobicContact CG-CD2 3.5Å; M147-Y163 HydrophobicContact CG-CE1 4.45Å; M147-Y163 HydrophobicContact CG-CE2 3.95Å; M147-Y163 HydrophobicContact CG-CG 3.55Å; M147-Y163 HydrophobicContact SD-CD1 3.82Å; M147-Y163 HydrophobicContact SD-CD2 4.37Å; M147-Y163 HydrophobicContact SD-CE1 4.17Å; M147-Y163 HydrophobicContact SD-CG 3.93Å; E159-Y163 WeakPolarHBondContact O-CB 3.33Å; E159-Y163 PolarHBondContact O-N 2.89Å; V160-Y163 PolarHBondContact O-N 2.7Å; Y163-K165 VanDerWaalsContact C-N 3.32Å; Y163-K165 PolarHBondContact O-N 3.36Å; Y163-K166 PolarHBondContact O-N 3.22Å; Y163-K166 VanDerWaalsContact O-N 3.17Å; Y163-E167 HydrophobicContact CD1-CG 4.39Å; Y163-E167 HydrophobicContact CE1-CG 3.88Å; Y163-E167 HydrophobicContact CE2-CG 4.21Å; Y163-E167 PolarHBondContact O-N 3.45Å
164	L	89.4	Confident	90.2	Very high	30 Å²	30	71.3 Å²	71.3	16%	0.157	37%	0.372	C	S	.	.	H	α-helix	trans	-59.1	-43.9	178.5	-72.2	173.2	0	0	0	111.5	V160 K166 E167 F168 L183 V184 I187	V160-L164 HydrophobicContact CG1-CD1 4.05Å; V160-L164 HydrophobicContact CG1-CG 4.41Å; V160-L164 WeakPolarHBondContact O-CB 3.38Å; V160-L164 WeakPolarHBondContact O-CG 3.33Å; V160-L164 PolarHBondContact O-N 2.68Å; L164-K166 PolarHBondContact O-N 2.73Å; L164-E167 PolarHBondContact O-N 2.9Å; L164-F168 WeakPolarHBondContact O-CD2 3.46Å; L164-F168 PolarHBondContact O-N 3.33Å; L164-L183 HydrophobicContact CD1-CD2 4Å; L164-L183 HydrophobicContact CD1-CG 4.29Å; L164-V184 HydrophobicContact CD1-CG2 3.86Å; L164-I187 HydrophobicContact CD1-CD1 4.06Å
165	K	90.6	Very high	89.3	Confident	101 Å²	101	70.5 Å²	70.5	44%	0.439	37%	0.372	S	S	.	.	H	α-helix	trans	-56.8	-49.1	175.8	-179.4	175.6	176.3	-177.3	0	111.5	K161 Y163 E167 F168 E169 V175	K161-K165 WeakPolarHBondContact O-CB 3.04Å; K161-K165 PolarHBondContact O-N 2.93Å; Y163-K165 VanDerWaalsContact C-N 3.32Å; Y163-K165 PolarHBondContact O-N 3.36Å; K165-E167 PolarHBondContact O-N 2.96Å; K165-F168 PolarHBondContact O-N 2.98Å; K165-E169 WeakPolarHBondContact CE-OE1 2.98Å; K165-E169 WeakPolarHBondContact O-CG 3.47Å; K165-E169 PolarHBondContact O-N 3.27Å; K165-V175 HydrophobicContact CG-CG1 4.33Å; K165-V175 HydrophobicContact CG-CG2 4.23Å
166	K	89.9	Confident	88.8	Confident	140 Å²	140	73.9 Å²	73.9	61%	0.609	39%	0.39	S	S	*	.	H	α-helix	trans	-61.8	-42.5	179.5	-178.1	-176.3	175	-171.1	0	112.3	A162 Y163 L164 E169 K170	A162-K166 WeakPolarHBondContact O-CB 3.35Å; A162-K166 PolarHBondContact O-N 3.04Å; A162-K166 VanDerWaalsContact O-N 3.08Å; Y163-K166 PolarHBondContact O-N 3.22Å; Y163-K166 VanDerWaalsContact O-N 3.17Å; L164-K166 PolarHBondContact O-N 2.73Å; K166-E169 PolarHBondContact O-N 3.27Å; K166-K170 VanDerWaalsContact O-CB 3.31Å; K166-K170 WeakPolarHBondContact O-CB 3.4Å; K166-K170 PolarHBondContact O-N 3.17Å
167	E	86.4	Confident	88.3	Confident	44 Å²	44	78.8 Å²	78.8	21%	0.206	41%	0.411	C	S	.	.	H	α-helix	trans	-68.7	-37.6	178.8	-76	-60.6	120.3	0	0	112.2	Y163 L164 K165 K170 H171	Y163-E167 HydrophobicContact CD1-CG 4.39Å; Y163-E167 HydrophobicContact CE1-CG 3.88Å; Y163-E167 HydrophobicContact CE2-CG 4.21Å; Y163-E167 PolarHBondContact O-N 3.45Å; L164-E167 PolarHBondContact O-N 2.9Å; K165-E167 PolarHBondContact O-N 2.96Å; E167-K170 WeakPolarHBondContact OE1-CD 3.17Å; E167-K170 IonicContact OE1-NZ 2.83Å; E167-K170 PolarHBondContact OE1-NZ 3.39Å; E167-K170 IonicContact OE2-NZ 3.04Å; E167-K170 PolarHBondContact OE2-NZ 2.95Å; E167-H171 PolarHBondContact O-CD2 3.2Å; E167-H171 VanDerWaalsContact O-CD2 3.3Å; E167-H171 PolarHBondContact O-N 3.49Å
168	F	84.8	Confident	87.9	Confident	77 Å²	77	78.8 Å²	78.8	34%	0.338	42%	0.42	S	S	.	.	H	α-helix	trans	-63.6	-46.3	172.8	-87.8	-113.8	0	0	0	112	L164 K165 K170 H171 G172 A173 V175 H180	L164-F168 WeakPolarHBondContact O-CD2 3.46Å; L164-F168 PolarHBondContact O-N 3.33Å; K165-F168 PolarHBondContact O-N 2.98Å; F168-K170 VanDerWaalsContact C-N 3.34Å; F168-K170 PolarHBondContact O-N 2.87Å; F168-H171 CarbonylContact O-C 3.57Å; F168-H171 PolarHBondContact O-N 3.5Å; F168-H171 VanDerWaalsContact O-N 3.16Å; F168-G172 PolarHBondContact O-N 3.11Å; F168-A173 HydrophobicContact CB-CB 4.25Å; F168-A173 HydrophobicContact CD1-CB 3.71Å; F168-A173 HydrophobicContact CG-CB 4.33Å; F168-A173 PolarHBondContact O-N 2.82Å; F168-V175 HydrophobicContact CB-CG2 3.83Å; F168-H180 AromaticContact CD1-NE2 3.74Å; F168-H180 AromaticContact CD2-CE1 3.86Å; F168-H180 AromaticContact CE1-NE2 3.93Å; F168-H180 AromaticContact CG-CE1 3.76Å; F168-H180 AromaticContact CG-NE2 3.9Å
169	E	88.9	Confident	87.4	Confident	110 Å²	110	78.9 Å²	78.9	51%	0.514	42%	0.416	S	S	.	.	H	α-helix	trans	-61	-41.1	178.8	-74.5	174.4	176.8	0	0	112	K165 K166 H171 G172 V175	K165-E169 WeakPolarHBondContact CE-OE1 2.98Å; K165-E169 WeakPolarHBondContact O-CG 3.47Å; K165-E169 PolarHBondContact O-N 3.27Å; K166-E169 PolarHBondContact O-N 3.27Å; E169-H171 PolarHBondContact O-N 2.79Å; E169-G172 PolarHBondContact O-N 2.69Å; E169-V175 HydrophobicContact CG-CG2 4.18Å
170	K	86.4	Confident	86.9	Confident	140 Å²	140	78.8 Å²	78.8	61%	0.609	42%	0.415	S	S	*	.	H	α-helix	trans	-60.5	-31.1	176.3	-179.8	-173.6	176.1	-165.6	0	113.2	K166 E167 F168	K166-K170 VanDerWaalsContact O-CB 3.31Å; K166-K170 WeakPolarHBondContact O-CB 3.4Å; K166-K170 PolarHBondContact O-N 3.17Å; E167-K170 WeakPolarHBondContact OE1-CD 3.17Å; E167-K170 IonicContact OE1-NZ 2.83Å; E167-K170 PolarHBondContact OE1-NZ 3.39Å; E167-K170 IonicContact OE2-NZ 3.04Å; E167-K170 PolarHBondContact OE2-NZ 2.95Å; F168-K170 VanDerWaalsContact C-N 3.34Å; F168-K170 PolarHBondContact O-N 2.87Å
171	H	81.8	Confident	86.8	Confident	148 Å²	148	81.2 Å²	81.2	69%	0.685	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	6.5	176.1	-75	-74.4	0	0	0	113.7	E167 F168 E169 A173	E167-H171 PolarHBondContact O-CD2 3.2Å; E167-H171 VanDerWaalsContact O-CD2 3.3Å; E167-H171 PolarHBondContact O-N 3.49Å; F168-H171 CarbonylContact O-C 3.57Å; F168-H171 PolarHBondContact O-N 3.5Å; F168-H171 VanDerWaalsContact O-N 3.16Å; E169-H171 PolarHBondContact O-N 2.79Å; H171-A173 PolarHBondContact O-N 3.13Å
172	G	81.5	Confident	86.7	Confident	69 Å²	69	81.1 Å²	81.1	71%	0.711	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	19	179.2	0	0	0	0	0	114.1	F168 E169	F168-G172 PolarHBondContact O-N 3.11Å; E169-G172 PolarHBondContact O-N 2.69Å
173	A	81.4	Confident	86.6	Confident	43 Å²	43	82.2 Å²	82.2	36%	0.355	44%	0.436	S	S	.	.			trans	-83	141.8	177.1	0	0	0	0	0	110.9	F168 H171 V175	F168-A173 HydrophobicContact CB-CB 4.25Å; F168-A173 HydrophobicContact CD1-CB 3.71Å; F168-A173 HydrophobicContact CG-CB 4.33Å; F168-A173 PolarHBondContact O-N 2.82Å; H171-A173 PolarHBondContact O-N 3.13Å; A173-V175 PolarHBondContact O-N 3.04Å
174	V	80.3	Confident	86.7	Confident	138 Å²	138	79.9 Å²	79.9	84%	0.836	43%	0.428	S	S	*	.			trans	-75.3	122.7	176.7	179.5	0	0	0	0	109.5	N176	V174-N176 PolarHBondContact O-N 3.29Å
175	V	77.5	Confident	87	Confident	44 Å²	44	82.5 Å²	82.5	27%	0.267	44%	0.439	S	S	.	.			trans	-80.4	112.1	176.8	173.3	0	0	0	0	109.3	K165 F168 E169 A173	K165-V175 HydrophobicContact CG-CG1 4.33Å; K165-V175 HydrophobicContact CG-CG2 4.23Å; F168-V175 HydrophobicContact CB-CG2 3.83Å; E169-V175 HydrophobicContact CG-CG2 4.18Å; A173-V175 PolarHBondContact O-N 3.04Å
176	N	85.8	Confident	87.1	Confident	72 Å²	72	82.8 Å²	82.8	39%	0.385	45%	0.445	S	S	.	.			trans	-94.5	111	166.4	-178.7	-29.1	0	0	0	108.6	V174 S178 H179 H180	V174-N176 PolarHBondContact O-N 3.29Å; N176-S178 VanDerWaalsContact C-N 3.31Å; N176-S178 PolarHBondContact O-N 3.38Å; N176-S178 PolarHBondContact OD1-N 3.49Å; N176-S178 VanDerWaalsContact OD1-N 3.13Å; N176-S178 PolarHBondContact OD1-OG 2.98Å; N176-H179 HydrophobicContact CB-CB 4.22Å; N176-H179 PolarHBondContact O-N 3.39Å; N176-H179 VanDerWaalsContact O-N 3.07Å; N176-H180 PolarHBondContact O-CD2 3.4Å; N176-H180 PolarHBondContact O-N 3.32Å
177	E	87.9	Confident	87.1	Confident	126 Å²	126	78.3 Å²	78.3	59%	0.589	43%	0.428	S	S	*	.	H	α-helix	trans	-55.3	-42.6	-174.2	-174.8	162.4	-153	0	0	113.2	K161 H179 H180 D181	K161-E177 IonicContact NZ-OE1 3.19Å; K161-E177 PolarHBondContact NZ-OE1 2.82Å; E177-H179 VanDerWaalsContact C-N 3.31Å; E177-H179 PolarHBondContact O-N 2.94Å; E177-H180 PolarHBondContact O-N 3.28Å; E177-D181 PolarHBondContact O-N 2.98Å
178	S	87.3	Confident	87.5	Confident	72 Å²	72	76.4 Å²	76.4	50%	0.503	42%	0.419	S	S	.	.	H	α-helix	trans	-64.1	-35	179.2	64.3	0	0	0	0	113.4	N176 A182	N176-S178 VanDerWaalsContact C-N 3.31Å; N176-S178 PolarHBondContact O-N 3.38Å; N176-S178 PolarHBondContact OD1-N 3.49Å; N176-S178 VanDerWaalsContact OD1-N 3.13Å; N176-S178 PolarHBondContact OD1-OG 2.98Å; S178-A182 WeakPolarHBondContact O-CB 3.33Å; S178-A182 PolarHBondContact O-N 2.88Å; S178-A182 VanDerWaalsContact O-N 3.12Å
179	H	86.3	Confident	87.9	Confident	130 Å²	130	78 Å²	78	60%	0.602	43%	0.431	S	S	*	.	H	α-helix	trans	-75.5	-34.4	176.6	-67	-176.4	0	0	0	111.3	N176 E177 L183	N176-H179 HydrophobicContact CB-CB 4.22Å; N176-H179 PolarHBondContact O-N 3.39Å; N176-H179 VanDerWaalsContact O-N 3.07Å; E177-H179 VanDerWaalsContact C-N 3.31Å; E177-H179 PolarHBondContact O-N 2.94Å; H179-L183 VanDerWaalsContact O-CB 3.28Å; H179-L183 WeakPolarHBondContact O-CB 3.4Å; H179-L183 PolarHBondContact O-N 2.99Å
180	H	86.2	Confident	88	Confident	8 Å²	8	79.2 Å²	79.2	4%	0.037	43%	0.434	C	S	.	.	H	α-helix	trans	-66.9	-43.3	175.2	-81.4	-123.2	0	0	0	111	F168 N176 E177 L183 V184	F168-H180 AromaticContact CD1-NE2 3.74Å; F168-H180 AromaticContact CD2-CE1 3.86Å; F168-H180 AromaticContact CE1-NE2 3.93Å; F168-H180 AromaticContact CG-CE1 3.76Å; F168-H180 AromaticContact CG-NE2 3.9Å; N176-H180 PolarHBondContact O-CD2 3.4Å; N176-H180 PolarHBondContact O-N 3.32Å; E177-H180 PolarHBondContact O-N 3.28Å; H180-L183 PolarHBondContact O-N 3.42Å; H180-V184 VanDerWaalsContact O-CG2 3.28Å; H180-V184 WeakPolarHBondContact O-CG2 3.38Å; H180-V184 PolarHBondContact O-N 3.36Å
181	D	91.7	Very high	88.2	Confident	62 Å²	62	74.3 Å²	74.3	33%	0.332	41%	0.414	S	S	.	.	H	α-helix	trans	-63.4	-46.9	177.2	-70	-17.2	0	0	0	111.2	K161 E177 L183 V184 E185	K161-D181 VanDerWaalsContact CD-OD1 3.31Å; K161-D181 WeakPolarHBondContact CD-OD1 3.43Å; K161-D181 WeakPolarHBondContact CE-OD1 3.36Å; K161-D181 IonicContact NZ-OD1 2.65Å; K161-D181 PolarHBondContact NZ-OD1 3.49Å; K161-D181 IonicContact NZ-OD2 3.47Å; K161-D181 PolarHBondContact NZ-OD2 2.91Å; E177-D181 PolarHBondContact O-N 2.98Å; D181-L183 VanDerWaalsContact C-N 3.32Å; D181-L183 PolarHBondContact O-N 3.49Å; D181-V184 PolarHBondContact O-N 3.26Å; D181-E185 WeakPolarHBondContact O-CG 3.44Å; D181-E185 PolarHBondContact O-N 3.12Å
182	A	92.2	Very high	88.7	Confident	51 Å²	51	67.8 Å²	67.8	42%	0.421	38%	0.384	S	S	.	.	H	α-helix	trans	-59.4	-42.3	175.6	0	0	0	0	0	112.4	S178 V184 E185 D186	S178-A182 WeakPolarHBondContact O-CB 3.33Å; S178-A182 PolarHBondContact O-N 2.88Å; S178-A182 VanDerWaalsContact O-N 3.12Å; A182-V184 PolarHBondContact O-N 2.71Å; A182-E185 PolarHBondContact O-N 3.07Å; A182-D186 PolarHBondContact O-N 2.65Å
183	L	90.9	Very high	89.2	Confident	69 Å²	69	70.7 Å²	70.7	36%	0.361	38%	0.379	S	S	.	.	H	α-helix	trans	-63.3	-40.6	176.6	177	61	0	0	0	112.1	L164 H179 H180 D181 D186 I187	L164-L183 HydrophobicContact CD1-CD2 4Å; L164-L183 HydrophobicContact CD1-CG 4.29Å; H179-L183 VanDerWaalsContact O-CB 3.28Å; H179-L183 WeakPolarHBondContact O-CB 3.4Å; H179-L183 PolarHBondContact O-N 2.99Å; H180-L183 PolarHBondContact O-N 3.42Å; D181-L183 VanDerWaalsContact C-N 3.32Å; D181-L183 PolarHBondContact O-N 3.49Å; L183-D186 PolarHBondContact O-N 2.88Å; L183-I187 HydrophobicContact CD1-CD1 4.21Å; L183-I187 HydrophobicContact CD1-CG1 4.41Å; L183-I187 HydrophobicContact CG-CD1 4.03Å; L183-I187 WeakPolarHBondContact O-CD1 3.43Å; L183-I187 WeakPolarHBondContact O-CG1 3.46Å; L183-I187 PolarHBondContact O-N 2.99Å
184	V	93.8	Very high	89.8	Confident	4 Å²	4	73.7 Å²	73.7	2%	0.024	39%	0.389	C	S	.	.	H	α-helix	trans	-65.9	-42.9	177.2	171.8	0	0	0	0	110.7	K157 V160 K161 L164 H180 D181 A182 I187 F188	K157-V184 HydrophobicContact CB-CG1 3.85Å; K157-V184 HydrophobicContact CG-CG1 4.02Å; V160-V184 HydrophobicContact CG1-CG2 4.31Å; K161-V184 HydrophobicContact CB-CG2 4.02Å; L164-V184 HydrophobicContact CD1-CG2 3.86Å; H180-V184 VanDerWaalsContact O-CG2 3.28Å; H180-V184 WeakPolarHBondContact O-CG2 3.38Å; H180-V184 PolarHBondContact O-N 3.36Å; D181-V184 PolarHBondContact O-N 3.26Å; A182-V184 PolarHBondContact O-N 2.71Å; V184-I187 PolarHBondContact O-N 3.17Å; V184-F188 HydrophobicContact CG1-CD2 4.06Å; V184-F188 HydrophobicContact CG1-CE2 4.08Å; V184-F188 VanDerWaalsContact O-CD2 3.28Å; V184-F188 WeakPolarHBondContact O-CD2 3.4Å; V184-F188 PolarHBondContact O-N 3.49Å
185	E	94.5	Very high	90.4	Very high	84 Å²	84	73 Å²	73	39%	0.393	38%	0.375	S	S	.	.	H	α-helix	trans	-59.4	-48.4	174.8	-68.3	-60.2	137.9	0	0	111.7	K157 D181 A182 I187 F188 D189	K157-E185 WeakPolarHBondContact CD-OE1 3.43Å; K157-E185 WeakPolarHBondContact CE-OE1 3.28Å; K157-E185 IonicContact NZ-OE1 2.65Å; K157-E185 PolarHBondContact NZ-OE1 3.28Å; K157-E185 IonicContact NZ-OE2 2.74Å; K157-E185 PolarHBondContact NZ-OE2 3.24Å; D181-E185 WeakPolarHBondContact O-CG 3.44Å; D181-E185 PolarHBondContact O-N 3.12Å; A182-E185 PolarHBondContact O-N 3.07Å; E185-I187 VanDerWaalsContact C-N 3.27Å; E185-I187 PolarHBondContact O-N 3.35Å; E185-F188 PolarHBondContact O-N 3.47Å; E185-F188 VanDerWaalsContact O-N 3.14Å; E185-D189 PolarHBondContact O-N 3.49Å
186	D	92.7	Very high	91.3	Very high	108 Å²	108	74.8 Å²	74.8	58%	0.578	38%	0.383	S	S	*	.	H	α-helix	trans	-59.9	-36.6	177.8	-73.5	-13	0	0	0	112.4	A182 L183 K190	A182-D186 PolarHBondContact O-N 2.65Å; L183-D186 PolarHBondContact O-N 2.88Å; D186-K190 PolarHBondContact O-N 2.99Å
187	I	91.8	Very high	91.8	Very high	46 Å²	46	72.9 Å²	72.9	24%	0.236	38%	0.38	C	S	.	.	H	α-helix	trans	-63.1	-52.2	174.5	-72.4	164.1	0	0	0	109.7	V160 L164 L183 V184 E185 D189 K190 E191 I199	V160-I187 HydrophobicContact CG1-CD1 4.31Å; L164-I187 HydrophobicContact CD1-CD1 4.06Å; L183-I187 HydrophobicContact CD1-CD1 4.21Å; L183-I187 HydrophobicContact CD1-CG1 4.41Å; L183-I187 HydrophobicContact CG-CD1 4.03Å; L183-I187 WeakPolarHBondContact O-CD1 3.43Å; L183-I187 WeakPolarHBondContact O-CG1 3.46Å; L183-I187 PolarHBondContact O-N 2.99Å; V184-I187 PolarHBondContact O-N 3.17Å; E185-I187 VanDerWaalsContact C-N 3.27Å; E185-I187 PolarHBondContact O-N 3.35Å; I187-D189 VanDerWaalsContact C-N 3.34Å; I187-D189 PolarHBondContact O-N 2.95Å; I187-K190 PolarHBondContact O-N 3.33Å; I187-K190 VanDerWaalsContact O-N 3.13Å; I187-E191 HydrophobicContact CG2-CG 3.95Å; I187-E191 WeakPolarHBondContact O-CB 3.28Å; I187-E191 VanDerWaalsContact O-CG 3.26Å; I187-E191 WeakPolarHBondContact O-CG 3.23Å; I187-E191 PolarHBondContact O-N 2.88Å; I187-I199 HydrophobicContact CG2-CD1 3.94Å
188	F	94.7	Very high	92.2	Very high	3 Å²	3	69.9 Å²	69.9	1%	0.013	37%	0.365	C	S	.	.	H	α-helix	trans	-65.2	-38.2	-177.8	-83.7	-112.3	0	0	0	111.6	L155 S156 K157 V160 V184 E185 K190 E191 D192 G197 I199	L155-F188 WeakPolarHBondContact O-CZ 3.19Å; S156-F188 VanDerWaalsContact C-CZ 3.41Å; K157-F188 HydrophobicContact CB-CE2 4.32Å; K157-F188 HydrophobicContact CB-CZ 4.22Å; K157-F188 HydrophobicContact CD-CD1 4.42Å; K157-F188 HydrophobicContact CD-CG 4.43Å; K157-F188 HydrophobicContact CG-CD1 3.67Å; K157-F188 HydrophobicContact CG-CD2 3.82Å; K157-F188 HydrophobicContact CG-CE1 3.58Å; K157-F188 HydrophobicContact CG-CE2 3.74Å; K157-F188 HydrophobicContact CG-CG 3.8Å; K157-F188 HydrophobicContact CG-CZ 3.64Å; K157-F188 VanDerWaalsContact N-CZ 3.28Å; V160-F188 HydrophobicContact CB-CE2 4.04Å; V160-F188 HydrophobicContact CG1-CE2 4.47Å; V160-F188 HydrophobicContact CG2-CE2 3.74Å; V160-F188 HydrophobicContact CG2-CZ 4.03Å; V184-F188 HydrophobicContact CG1-CD2 4.06Å; V184-F188 HydrophobicContact CG1-CE2 4.08Å; V184-F188 VanDerWaalsContact O-CD2 3.28Å; V184-F188 WeakPolarHBondContact O-CD2 3.4Å; V184-F188 PolarHBondContact O-N 3.49Å; E185-F188 PolarHBondContact O-N 3.47Å; E185-F188 VanDerWaalsContact O-N 3.14Å; F188-K190 PolarHBondContact O-N 3.46Å; F188-K190 VanDerWaalsContact O-N 3.1Å; F188-E191 PolarHBondContact O-N 3.49Å; F188-D192 HydrophobicContact CD1-CB 4.39Å; F188-D192 WeakPolarHBondContact O-CB 3.32Å; F188-D192 PolarHBondContact O-N 2.83Å; F188-G197 WeakPolarHBondContact CE1-O 3.43Å; F188-I199 HydrophobicContact CD1-CD1 4.39Å; F188-I199 HydrophobicContact CD1-CG1 4.17Å; F188-I199 HydrophobicContact CD2-CD1 3.94Å; F188-I199 HydrophobicContact CE1-CD1 4.23Å; F188-I199 HydrophobicContact CE1-CG1 3.97Å; F188-I199 HydrophobicContact CE2-CD1 3.77Å; F188-I199 HydrophobicContact CE2-CG1 4.41Å; F188-I199 HydrophobicContact CG-CD1 4.25Å; F188-I199 HydrophobicContact CG-CG1 4.48Å; F188-I199 HydrophobicContact CZ-CD1 3.9Å; F188-I199 HydrophobicContact CZ-CG1 4.07Å
189	D	92.7	Very high	92.5	Very high	111 Å²	111	66.8 Å²	66.8	59%	0.594	34%	0.343	S	S	*	.	H	α-helix	trans	-56.6	-32	175.5	-83	-10.1	0	0	0	112.9	E185 I187 K195	E185-D189 PolarHBondContact O-N 3.49Å; I187-D189 VanDerWaalsContact C-N 3.34Å; I187-D189 PolarHBondContact O-N 2.95Å; D189-K195 PolarHBondContact O-NZ 3.13Å
190	K	89.8	Confident	92.8	Very high	136 Å²	136	62.3 Å²	62.3	59%	0.591	33%	0.326	S	S	*	.	H	α-helix	trans	-94	-35.1	-178.5	-168.5	-179.7	179.8	-177.9	0	114.5	D186 I187 F188	D186-K190 PolarHBondContact O-N 2.99Å; I187-K190 PolarHBondContact O-N 3.33Å; I187-K190 VanDerWaalsContact O-N 3.13Å; F188-K190 PolarHBondContact O-N 3.46Å; F188-K190 VanDerWaalsContact O-N 3.1Å
191	E	90.5	Very high	92.9	Very high	37 Å²	37	63 Å²	63	17%	0.173	33%	0.333	C	S	.	.	H	α-helix	trans	-101.9	-30.3	-169.9	-54.1	-51.6	136.9	0	0	113.9	I187 F188 E193 I199 K207	I187-E191 HydrophobicContact CG2-CG 3.95Å; I187-E191 WeakPolarHBondContact O-CB 3.28Å; I187-E191 VanDerWaalsContact O-CG 3.26Å; I187-E191 WeakPolarHBondContact O-CG 3.23Å; I187-E191 PolarHBondContact O-N 2.88Å; F188-E191 PolarHBondContact O-N 3.49Å; E191-E193 PolarHBondContact O-N 2.95Å; E191-I199 HydrophobicContact CB-CD1 3.7Å; E191-I199 HydrophobicContact CB-CG1 4.07Å; E191-I199 HydrophobicContact CB-CG2 4.4Å; E191-I199 HydrophobicContact CG-CD1 4.38Å; E191-K207 WeakPolarHBondContact OE1-CE 3.36Å; E191-K207 IonicContact OE1-NZ 2.7Å; E191-K207 PolarHBondContact OE1-NZ 3.26Å; E191-K207 WeakPolarHBondContact OE2-CE 3.41Å; E191-K207 IonicContact OE2-NZ 3.84Å; E191-K207 PolarHBondContact OE2-NZ 2.91Å
192	D	93.6	Very high	92.7	Very high	10 Å²	10	68.3 Å²	68.3	5%	0.053	35%	0.348	C	S	.	.			trans	-76.8	99.4	173.1	174.1	0.4	0	0	0	107.5	F188 K195 D196 G197 F198 I199	F188-D192 HydrophobicContact CD1-CB 4.39Å; F188-D192 WeakPolarHBondContact O-CB 3.32Å; F188-D192 PolarHBondContact O-N 2.83Å; D192-K195 WeakPolarHBondContact O-CD 3.27Å; D192-K195 WeakPolarHBondContact O-CE 3.04Å; D192-K195 PolarHBondContact O-NZ 3.19Å; D192-K195 WeakPolarHBondContact OD1-CA 3.4Å; D192-K195 PolarHBondContact OD1-N 3.27Å; D192-K195 WeakPolarHBondContact OD2-CA 3.31Å; D192-D196 PolarHBondContact OD1-N 3.21Å; D192-G197 VanDerWaalsContact OD2-CA 3.28Å; D192-G197 WeakPolarHBondContact OD2-CA 3.34Å; D192-G197 PolarHBondContact OD2-N 3Å; D192-F198 WeakPolarHBondContact CB-O 3.47Å; D192-F198 VanDerWaalsContact CG-O 3.28Å; D192-I199 HydrophobicContact CB-CG1 4.41Å
193	E	91.7	Very high	92.5	Very high	131 Å²	131	66.5 Å²	66.5	61%	0.612	33%	0.331	S	S	*	.	S	Bend	trans	-81.2	-39.2	-173.2	-170.9	-178.5	167.9	0	0	110.7	E191 E203 H208	E191-E193 PolarHBondContact O-N 2.95Å; E193-E203 HydrophobicContact CB-CG 4.23Å; E193-E203 WeakPolarHBondContact CB-OE1 3.48Å; E193-E203 PolarHBondContact N-OE1 3.17Å; E193-H208 IonicContact OE2-CD2 3.92Å
194	D	93.5	Very high	92.3	Very high	106 Å²	106	64.2 Å²	64.2	57%	0.567	32%	0.319	S	S	*	.	S	Bend	trans	-89.4	-5.5	-177.1	74.9	12.6	0	0	0	114.7	D196 E203	D194-D196 VanDerWaalsContact C-N 3.29Å; D194-D196 PolarHBondContact O-N 2.7Å; D194-D196 VanDerWaalsContact OD1-CB 3.27Å; D194-D196 WeakPolarHBondContact OD1-CB 3.31Å; D194-D196 PolarHBondContact OD1-N 3.44Å; D194-D196 VanDerWaalsContact OD1-N 3.08Å; D194-E203 PolarHBondContact N-OE1 3.04Å
195	K	94.3	Very high	91.5	Very high	123 Å²	123	65.8 Å²	65.8	54%	0.535	33%	0.328	S	S	.	.			trans	61.8	33.2	176.8	-53.9	-57.6	-179.8	-164.9	0	113	D189 D192 G197	D189-K195 PolarHBondContact O-NZ 3.13Å; D192-K195 WeakPolarHBondContact O-CD 3.27Å; D192-K195 WeakPolarHBondContact O-CE 3.04Å; D192-K195 PolarHBondContact O-NZ 3.19Å; D192-K195 WeakPolarHBondContact OD1-CA 3.4Å; D192-K195 PolarHBondContact OD1-N 3.27Å; D192-K195 WeakPolarHBondContact OD2-CA 3.31Å; K195-G197 VanDerWaalsContact C-N 3.28Å
196	D	95.6	Very high	90.4	Very high	82 Å²	82	68.4 Å²	68.4	44%	0.439	34%	0.335	S	S	.	.	S	Bend	trans	-81.5	-6.5	174.7	87.3	-12.7	0	0	0	113.7	D192 D194 F198	D192-D196 PolarHBondContact OD1-N 3.21Å; D194-D196 VanDerWaalsContact C-N 3.29Å; D194-D196 PolarHBondContact O-N 2.7Å; D194-D196 VanDerWaalsContact OD1-CB 3.27Å; D194-D196 WeakPolarHBondContact OD1-CB 3.31Å; D194-D196 PolarHBondContact OD1-N 3.44Å; D194-D196 VanDerWaalsContact OD1-N 3.08Å; D196-F198 WeakPolarHBondContact O-CD2 3.28Å; D196-F198 WeakPolarHBondContact OD1-CA 3.36Å; D196-F198 VanDerWaalsContact OD1-CB 3.29Å; D196-F198 WeakPolarHBondContact OD1-CB 3.49Å; D196-F198 PolarHBondContact OD1-N 3.38Å
197	G	95.5	Very high	89.2	Confident	32 Å²	32	64.6 Å²	64.6	33%	0.33	31%	0.314	S	S	.	.	S	Bend	trans	89.1	7.2	-178.8	0	0	0	0	0	114.1	F188 D192 K195	F188-G197 WeakPolarHBondContact CE1-O 3.43Å; D192-G197 VanDerWaalsContact OD2-CA 3.28Å; D192-G197 WeakPolarHBondContact OD2-CA 3.34Å; D192-G197 PolarHBondContact OD2-N 3Å; K195-G197 VanDerWaalsContact C-N 3.28Å
198	F	96.5	Very high	87.5	Confident	63 Å²	63	68 Å²	68	28%	0.276	33%	0.328	S	S	.	.	S	Bend	trans	-127.1	161.3	177.3	-58.5	-92.8	0	0	0	110.7	K154 L155 D192 D196	K154-F198 HydrophobicContact CB-CB 4.07Å; K154-F198 HydrophobicContact CD-CB 3.93Å; K154-F198 HydrophobicContact CD-CD1 3.75Å; K154-F198 HydrophobicContact CD-CD2 4.24Å; K154-F198 HydrophobicContact CD-CE1 4.32Å; K154-F198 HydrophobicContact CD-CG 3.71Å; K154-F198 HydrophobicContact CG-CB 4.34Å; K154-F198 HydrophobicContact CG-CD1 4.09Å; K154-F198 HydrophobicContact CG-CG 4.36Å; L155-F198 CarbonylContact O-C 3.57Å; L155-F198 WeakPolarHBondContact O-CA 3.33Å; D192-F198 WeakPolarHBondContact CB-O 3.47Å; D192-F198 VanDerWaalsContact CG-O 3.28Å; D196-F198 WeakPolarHBondContact O-CD2 3.28Å; D196-F198 WeakPolarHBondContact OD1-CA 3.36Å; D196-F198 VanDerWaalsContact OD1-CB 3.29Å; D196-F198 WeakPolarHBondContact OD1-CB 3.49Å; D196-F198 PolarHBondContact OD1-N 3.38Å
199	I	94.4	Very high	85.5	Confident	6 Å²	6	71.6 Å²	71.6	3%	0.031	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	104.2	168.1	-59.1	166.8	0	0	0	107.3	K154 L155 I187 F188 E191 D192 E203 F204	K154-I199 CarbonylContact C-O 3.55Å; K154-I199 WeakPolarHBondContact CA-O 3.19Å; L155-I199 HydrophobicContact CB-CB 4.3Å; L155-I199 PolarHBondContact N-O 3.43Å; L155-I199 PolarHBondContact O-N 3.47Å; I187-I199 HydrophobicContact CG2-CD1 3.94Å; F188-I199 HydrophobicContact CD1-CD1 4.39Å; F188-I199 HydrophobicContact CD1-CG1 4.17Å; F188-I199 HydrophobicContact CD2-CD1 3.94Å; F188-I199 HydrophobicContact CE1-CD1 4.23Å; F188-I199 HydrophobicContact CE1-CG1 3.97Å; F188-I199 HydrophobicContact CE2-CD1 3.77Å; F188-I199 HydrophobicContact CE2-CG1 4.41Å; F188-I199 HydrophobicContact CG-CD1 4.25Å; F188-I199 HydrophobicContact CG-CG1 4.48Å; F188-I199 HydrophobicContact CZ-CD1 3.9Å; F188-I199 HydrophobicContact CZ-CG1 4.07Å; E191-I199 HydrophobicContact CB-CD1 3.7Å; E191-I199 HydrophobicContact CB-CG1 4.07Å; E191-I199 HydrophobicContact CB-CG2 4.4Å; E191-I199 HydrophobicContact CG-CD1 4.38Å; D192-I199 HydrophobicContact CB-CG1 4.41Å; I199-E203 HydrophobicContact CG2-CB 3.9Å; I199-F204 HydrophobicContact CG2-CB 4.05Å
200	S	92.9	Very high	83.1	Confident	37 Å²	37	75.4 Å²	75.4	26%	0.259	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	158.4	176.8	69.2	0	0	0	0	112	R202 E203 F204	S200-R202 PolarHBondContact O-N 3.36Å; S200-E203 WeakPolarHBondContact CB-OE2 3.33Å; S200-E203 PolarHBondContact N-OE2 3.29Å; S200-E203 PolarHBondContact O-N 3.48Å; S200-E203 VanDerWaalsContact O-N 3.12Å; S200-E203 WeakPolarHBondContact OG-CG 3.45Å; S200-E203 PolarHBondContact OG-N 3.35Å; S200-E203 PolarHBondContact OG-OE2 3.08Å; S200-F204 WeakPolarHBondContact O-CB 3.49Å; S200-F204 PolarHBondContact O-N 3.44Å
201	A	88.2	Confident	80.5	Confident	21 Å²	21	77.8 Å²	77.8	17%	0.174	38%	0.38	C	S	.	.	H	α-helix	trans	-54.2	-28	173.1	0	0	0	0	0	113.3	F144 W153 T205	F144-A201 HydrophobicContact CD1-CB 4.49Å; F144-A201 HydrophobicContact CD2-CB 4.46Å; F144-A201 HydrophobicContact CE1-CB 4.07Å; F144-A201 VanDerWaalsContact CE2-CA 3.47Å; F144-A201 HydrophobicContact CE2-CB 4Å; F144-A201 HydrophobicContact CZ-CB 3.8Å; W153-A201 HydrophobicContact CE3-CB 4.02Å; W153-A201 PolarHBondContact O-N 3.21Å; W153-A201 VanDerWaalsContact O-N 3.15Å; A201-T205 WeakPolarHBondContact O-CB 3.28Å; A201-T205 PolarHBondContact O-N 3.39Å; A201-T205 PolarHBondContact O-OG1 3.16Å
202	R	86.4	Confident	80	Confident	174 Å²	174	79.8 Å²	79.8	66%	0.657	39%	0.39	S	S	*	.	H	α-helix	trans	-71.1	-51.8	176.4	179.9	-179	169.1	144.8	-2.3	111.3	S200 F204 T205 Y206	S200-R202 PolarHBondContact O-N 3.36Å; R202-F204 VanDerWaalsContact C-N 3.31Å; R202-F204 PolarHBondContact O-N 2.98Å; R202-T205 PolarHBondContact O-N 3.3Å; R202-Y206 HydrophobicContact CG-CD2 4.07Å; R202-Y206 WeakPolarHBondContact O-CD2 3.5Å; R202-Y206 PolarHBondContact O-N 3.33Å
203	E	89.1	Confident	79.3	Confident	14 Å²	14	83.5 Å²	83.5	7%	0.065	41%	0.408	C	S	.	.	H	α-helix	trans	-61.8	-41.3	178.8	-72	159.1	134.1	0	0	111.3	E193 D194 I199 S200 T205	E193-E203 HydrophobicContact CB-CG 4.23Å; E193-E203 WeakPolarHBondContact CB-OE1 3.48Å; E193-E203 PolarHBondContact N-OE1 3.17Å; D194-E203 PolarHBondContact N-OE1 3.04Å; I199-E203 HydrophobicContact CG2-CB 3.9Å; S200-E203 WeakPolarHBondContact CB-OE2 3.33Å; S200-E203 PolarHBondContact N-OE2 3.29Å; S200-E203 PolarHBondContact O-N 3.48Å; S200-E203 VanDerWaalsContact O-N 3.12Å; S200-E203 WeakPolarHBondContact OG-CG 3.45Å; S200-E203 PolarHBondContact OG-N 3.35Å; S200-E203 PolarHBondContact OG-OE2 3.08Å; E203-T205 VanDerWaalsContact C-N 3.28Å; E203-T205 PolarHBondContact O-N 3.44Å
204	F	86.7	Confident	78.6	Confident	21 Å²	21	80.8 Å²	80.8	9%	0.092	40%	0.397	C	S	.	.	H	α-helix	trans	-58.9	-40.2	175.1	-179.6	-101.7	0	0	0	112.9	P138 R139 F144 M147 L155 I199 S200 R202	P138-F204 WeakPolarHBondContact O-CZ 2.98Å; R139-F204 VanDerWaalsContact CA-CE1 3.46Å; R139-F204 HydrophobicContact CB-CE1 4.25Å; R139-F204 HydrophobicContact CB-CZ 4.41Å; R139-F204 WeakPolarHBondContact CD-O 3.31Å; R139-F204 HydrophobicContact CG-CE2 4.44Å; R139-F204 HydrophobicContact CG-CZ 4.37Å; F144-F204 HydrophobicContact CB-CD1 3.84Å; F144-F204 HydrophobicContact CB-CE1 3.64Å; F144-F204 HydrophobicContact CB-CZ 4.33Å; F144-F204 HydrophobicContact CD2-CB 3.75Å; F144-F204 AromaticContact CD2-CD1 3.54Å; F144-F204 HydrophobicContact CD2-CD1 3.54Å; F144-F204 HydrophobicContact CD2-CD2 4.25Å; F144-F204 HydrophobicContact CD2-CE1 4.09Å; F144-F204 AromaticContact CD2-CG 3.58Å; F144-F204 HydrophobicContact CD2-CG 3.58Å; F144-F204 HydrophobicContact CE2-CB 4Å; F144-F204 HydrophobicContact CE2-CG 4.28Å; F144-F204 HydrophobicContact CG-CD1 4.15Å; F144-F204 HydrophobicContact CG-CE1 4.38Å; M147-F204 HydrophobicContact CE-CD2 3.99Å; M147-F204 HydrophobicContact CE-CE1 4.43Å; M147-F204 HydrophobicContact CE-CE2 3.15Å; M147-F204 HydrophobicContact CE-CZ 3.36Å; L155-F204 HydrophobicContact CD1-CD2 3.99Å; L155-F204 HydrophobicContact CD1-CE2 4.37Å; I199-F204 HydrophobicContact CG2-CB 4.05Å; S200-F204 WeakPolarHBondContact O-CB 3.49Å; S200-F204 PolarHBondContact O-N 3.44Å; R202-F204 VanDerWaalsContact C-N 3.31Å; R202-F204 PolarHBondContact O-N 2.98Å
205	T	77.2	Confident	77.7	Confident	36 Å²	36	79.4 Å²	79.4	22%	0.221	39%	0.387	C	S	.	.	H	α-helix	trans	-81.4	-43.7	-176.2	-56.4	0	0	0	0	112.1	A201 R202 E203	A201-T205 WeakPolarHBondContact O-CB 3.28Å; A201-T205 PolarHBondContact O-N 3.39Å; A201-T205 PolarHBondContact O-OG1 3.16Å; R202-T205 PolarHBondContact O-N 3.3Å; E203-T205 VanDerWaalsContact C-N 3.28Å; E203-T205 PolarHBondContact O-N 3.44Å
206	Y	70.8	Confident	76.7	Confident	139 Å²	139	76.6 Å²	76.6	55%	0.545	38%	0.378	S	S	.	.			trans	-109.7	107.6	-170.2	-65.1	-74.8	0	0	0	110.3	R202	R202-Y206 HydrophobicContact CG-CD2 4.07Å; R202-Y206 WeakPolarHBondContact O-CD2 3.5Å; R202-Y206 PolarHBondContact O-N 3.33Å
207	K	67.4	Low	75.4	Confident	29 Å²	29	76.3 Å²	76.3	13%	0.126	37%	0.373	C	S	.	.			trans	-86.7	122.8	162.9	-95.5	-152.8	171.2	-62.5	0	110.8	E191 D209	E191-K207 WeakPolarHBondContact OE1-CE 3.36Å; E191-K207 IonicContact OE1-NZ 2.7Å; E191-K207 PolarHBondContact OE1-NZ 3.26Å; E191-K207 WeakPolarHBondContact OE2-CE 3.41Å; E191-K207 IonicContact OE2-NZ 3.84Å; E191-K207 PolarHBondContact OE2-NZ 2.91Å; K207-D209 VanDerWaalsContact C-N 3.33Å; K207-D209 PolarHBondContact O-N 2.98Å
208	H	56.2	Low	74	Confident	116 Å²	116	79.4 Å²	79.4	54%	0.537	38%	0.377	S	S	.	.			trans	-88.9	76.5	160.3	-64.6	-62	0	0	0	108.2	E193 E210	E193-H208 IonicContact OE2-CD2 3.92Å; H208-E210 VanDerWaalsContact C-N 3.3Å; H208-E210 PolarHBondContact O-N 3Å; H208-E210 VanDerWaalsContact O-N 3.07Å
209	D	51.8	Low	72.2	Confident	80 Å²	80	80.7 Å²	80.7	43%	0.428	38%	0.384	S	S	.	.			trans	-73	97.6	159.3	-72.4	-20.3	0	0	0	105.5	K207 L211	K207-D209 VanDerWaalsContact C-N 3.33Å; K207-D209 PolarHBondContact O-N 2.98Å; D209-L211 PolarHBondContact O-N 3.02Å
210	E	43.9	Very low	70.4	Confident	190 Å²	190	86.9 Å²	86.9	89%	0.888	41%	0.414	S	S	*	.			trans	-57.5	109.9	169.9	-66.4	-172.1	167.5	0	0	107.9	H208	H208-E210 VanDerWaalsContact C-N 3.3Å; H208-E210 PolarHBondContact O-N 3Å; H208-E210 VanDerWaalsContact O-N 3.07Å
211	L	34.2	Very low	68.3	Low	186 Å²	186	91.5 Å²	91.5	97%	0.974	43%	0.428	S	S	*	.			trans	-73.5	0	171.5	-81.5	159.2	0	0	0	111.4	K86 D209	K86-L211 HydrophobicContact CD-CD1 4.09Å; K86-L211 HydrophobicContact CG-CD1 4.35Å; D209-L211 PolarHBondContact O-N 3.02Å

Retrieved 211 of 211 residues in 42.7 ms (Link to these results)

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