A0A077ZBZ0_TRITR Loading...

WD repeat containing protein 70

AlphaFold DB , UniProt , Accession A0A077ZBZ0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 509 aa.

Structure Viewer

Loading PAE data...

(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	37	Very low	39.4	Very low	216 Å²	216	139.5 Å²	139.5	100%	1.064	76%	0.762	S	S	*	*				0	98.8	0	-136.4	-174.3	-175.7	0	0	105.4
2	F	38.9	Very low	39.3	Very low	162 Å²	162	140.8 Å²	140.8	71%	0.711	77%	0.767	S	S	*	*			cis	-138.9	123.2	15.8	-73.7	-93.3	0	0	0	107.2
3	L	36.2	Very low	39.5	Very low	143 Å²	143	142.1 Å²	142.1	75%	0.749	77%	0.773	S	S	*	*				93.1	97.4	107.2	-76.1	174.2	0	0	0	112.7
4	V	33.2	Very low	39.3	Very low	133 Å²	133	140.7 Å²	140.7	81%	0.806	78%	0.779	S	S	*	*			trans	-94.6	126.9	161.1	175.2	0	0	0	0	104.9
5	D	42.4	Very low	39.4	Very low	150 Å²	150	134.7 Å²	134.7	80%	0.802	76%	0.762	S	S	*	*			trans	-123	129.8	160.7	-80.4	-34.9	0	0	0	108.8
6	S	39.2	Very low	39.1	Very low	92 Å²	92	136.1 Å²	136.1	64%	0.643	77%	0.766	S	S	*	*			trans	-87.4	-179	-173.6	42.5	0	0	0	0	113.1
7	E	40.2	Very low	39.1	Very low	181 Å²	181	137.2 Å²	137.2	85%	0.846	77%	0.769	S	S	*	*			trans	98.2	131	164.8	-58.1	176.4	-172	0	0	114.1
8	S	41.7	Very low	39.3	Very low	95 Å²	95	138.9 Å²	138.9	66%	0.664	77%	0.77	S	S	*	*			cis	-174.8	143.7	4.7	45.3	0	0	0	0	109.2
9	S	40.9	Very low	39.5	Very low	94 Å²	94	140.8 Å²	140.8	66%	0.657	77%	0.773	S	S	*	*			trans	68.7	143.9	139.3	87.2	0	0	0	0	118.4
10	D	41.6	Very low	39.8	Very low	135 Å²	135	136.5 Å²	136.5	72%	0.722	75%	0.753	S	S	*	*			cis	-154.5	141.6	26.2	-81.5	-64.8	0	0	0	111
11	D	42.4	Very low	39.9	Very low	134 Å²	134	135.9 Å²	135.9	72%	0.717	75%	0.749	S	S	*	*			trans	16.3	145.4	138.3	-61.6	-28.3	0	0	0	124
12	N	37.8	Very low	40.3	Very low	154 Å²	154	130.9 Å²	130.9	82%	0.824	73%	0.73	S	S	*	*			trans	84.5	103	151.4	-55.2	-41.3	0	0	0	118.5
13	D	41.6	Very low	40.6	Very low	158 Å²	158	129.3 Å²	129.3	85%	0.845	73%	0.725	S	S	*	*				-163.7	122.8	104	-148.1	-7.4	0	0	0	111.4
14	S	36.8	Very low	41.2	Very low	123 Å²	123	126.4 Å²	126.4	86%	0.86	71%	0.71	S	S	*	*			trans	-103.8	95.3	169.6	55.3	0	0	0	0	106.5
15	G	41.1	Very low	42.2	Very low	50 Å²	50	121 Å²	121	52%	0.515	68%	0.682	S	S	.	*			trans	-146.1	91.3	-174.8	0	0	0	0	0	113.1
16	L	34.1	Very low	43	Very low	158 Å²	158	116 Å²	116	83%	0.827	66%	0.656	S	S	*	*			trans	43.6	80.9	138.2	-57.8	168.3	0	0	0	118.3	E18	L16-E18 PolarHBondContact O-N 3Å
17	D	40.4	Very low	44	Very low	154 Å²	154	117.5 Å²	117.5	82%	0.824	65%	0.651	S	S	*	*			trans	-88	70.6	162.7	-70.6	-30.8	0	0	0	110.8
18	E	42.3	Very low	45.3	Very low	169 Å²	169	110.5 Å²	110.5	79%	0.79	62%	0.621	S	S	*	*			trans	-94.1	-0.9	166.4	-72.3	-170.6	174.7	0	0	112.4	L16	L16-E18 PolarHBondContact O-N 3Å
19	E	42.2	Very low	46.7	Very low	174 Å²	174	106.2 Å²	106.2	81%	0.813	59%	0.59	S	S	*	*	S	Bend	trans	-87.4	-4.1	-178.4	-66.6	-163.1	161.8	0	0	114.7	D21	E19-D21 PolarHBondContact O-N 2.79Å
20	S	45.2	Very low	48.1	Very low	55 Å²	55	101.8 Å²	101.8	39%	0.385	56%	0.559	S	S	.	*	H	α-helix	trans	-76.7	-21.2	-173.8	62	0	0	0	0	115.4	N24	S20-N24 PolarHBondContact O-N 3.49Å; S20-N24 PolarHBondContact O-ND2 3.27Å
21	D	43.1	Very low	49.7	Very low	123 Å²	123	98.3 Å²	98.3	66%	0.658	54%	0.54	S	S	*	.	H	α-helix	trans	-83.4	-31.2	-168.2	-72.8	-10.5	0	0	0	113.3	E19 N24 G25	E19-D21 PolarHBondContact O-N 2.79Å; D21-N24 PolarHBondContact O-N 3.22Å; D21-G25 PolarHBondContact O-N 3.44Å
22	V	44.4	Very low	51.1	Low	112 Å²	112	94.6 Å²	94.6	68%	0.679	52%	0.524	S	S	*	.	H	α-helix	trans	-71.6	-41	178.9	-173.3	0	0	0	0	110.9	N24 G25	V22-N24 VanDerWaalsContact C-N 3.26Å; V22-N24 PolarHBondContact O-N 3.44Å; V22-G25 PolarHBondContact O-N 2.86Å
23	E	46.3	Very low	52.9	Low	129 Å²	129	89.8 Å²	89.8	60%	0.603	50%	0.497	S	S	*	.	H	α-helix	trans	-64.9	-32	175.1	-72.9	-158.6	158.9	0	0	112.6	K27	E23-K27 WeakPolarHBondContact O-CG 3.44Å; E23-K27 PolarHBondContact O-N 2.72Å; E23-K27 IonicContact OE2-NZ 2.76Å
24	N	48.7	Very low	54.7	Low	81 Å²	81	87.4 Å²	87.4	43%	0.433	48%	0.481	S	S	.	.	H	α-helix	trans	-72.7	-31.4	179.1	-75	-22.8	0	0	0	112.6	S20 D21 V22	S20-N24 PolarHBondContact O-N 3.49Å; S20-N24 PolarHBondContact O-ND2 3.27Å; D21-N24 PolarHBondContact O-N 3.22Å; V22-N24 VanDerWaalsContact C-N 3.26Å; V22-N24 PolarHBondContact O-N 3.44Å
25	G	54.2	Low	56.6	Low	20 Å²	20	82.3 Å²	82.3	21%	0.206	44%	0.444	C	S	.	.	H	α-helix	trans	-61.5	-47.9	174.3	0	0	0	0	0	112.6	D21 V22 K27 T28	D21-G25 PolarHBondContact O-N 3.44Å; V22-G25 PolarHBondContact O-N 2.86Å; G25-K27 VanDerWaalsContact C-N 3.34Å; G25-K27 PolarHBondContact O-N 3.01Å; G25-T28 PolarHBondContact O-N 3.39Å; G25-T28 PolarHBondContact O-OG1 2.83Å
26	V	59.3	Low	58.6	Low	44 Å²	44	83.6 Å²	83.6	27%	0.267	45%	0.445	S	S	.	.	H	α-helix	trans	-65.8	-34.9	-178.6	-177.2	0	0	0	0	112.1	T28 I29 I325 Y326	V26-T28 PolarHBondContact O-N 2.77Å; V26-I29 PolarHBondContact O-N 3.27Å; V26-I29 VanDerWaalsContact O-N 3.07Å; V26-I325 HydrophobicContact CG2-CG2 4.11Å; V26-Y326 HydrophobicContact CG1-CD2 4.31Å; V26-Y326 HydrophobicContact CG1-CE2 4.37Å
27	K	59.2	Low	61	Low	125 Å²	125	76.1 Å²	76.1	54%	0.543	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-14.5	176.8	-73.3	170.9	-168.4	160.6	0	113.9	E23 G25	E23-K27 WeakPolarHBondContact O-CG 3.44Å; E23-K27 PolarHBondContact O-N 2.72Å; E23-K27 IonicContact OE2-NZ 2.76Å; G25-K27 VanDerWaalsContact C-N 3.34Å; G25-K27 PolarHBondContact O-N 3.01Å
28	T	67.2	Low	63.2	Low	33 Å²	33	71.8 Å²	71.8	20%	0.202	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-15.6	178.3	67.4	0	0	0	0	114	G25 V26 F297	G25-T28 PolarHBondContact O-N 3.39Å; G25-T28 PolarHBondContact O-OG1 2.83Å; V26-T28 PolarHBondContact O-N 2.77Å; T28-F297 WeakPolarHBondContact OG1-CE2 3.34Å; T28-F297 WeakPolarHBondContact OG1-CZ 3.2Å
29	I	72.7	Confident	65.3	Low	5 Å²	5	63.8 Å²	63.8	3%	0.026	35%	0.351	C	S	.	.	S	Bend	trans	-79	124.6	179.8	-51.5	177.8	0	0	0	108.4	V26 I31 F316 Y326	V26-I29 PolarHBondContact O-N 3.27Å; V26-I29 VanDerWaalsContact O-N 3.07Å; I29-I31 HydrophobicContact CB-CG2 4.46Å; I29-I31 HydrophobicContact CG2-CG2 3.81Å; I29-I31 PolarHBondContact O-N 3.23Å; I29-F316 HydrophobicContact CD1-CB 4.4Å; I29-F316 HydrophobicContact CD1-CD1 4.14Å; I29-F316 HydrophobicContact CD1-CD2 4.49Å; I29-F316 HydrophobicContact CD1-CG 4.11Å; I29-F316 HydrophobicContact CG2-CD1 4.23Å; I29-F316 HydrophobicContact CG2-CE1 3.63Å; I29-F316 HydrophobicContact CG2-CE2 4.16Å; I29-F316 HydrophobicContact CG2-CZ 3.58Å; I29-Y326 HydrophobicContact CD1-CD1 4.26Å; I29-Y326 HydrophobicContact CD1-CG 4.16Å
30	P	70.6	Confident	67.4	Low	1 Å²	1	57.1 Å²	57.1	1%	0.006	33%	0.329	C	S	.	.			trans	-78.1	91.2	-175	31.6	-35	0	0	0	111.5	R346 C348 K360 D362	P30-R346 HydrophobicContact CB-CB 4.24Å; P30-R346 WeakPolarHBondContact CB-O 3.45Å; P30-C348 HydrophobicContact CG-CB 4.04Å; P30-C348 WeakPolarHBondContact CG-SG 3.43Å; P30-K360 WeakPolarHBondContact O-CB 3.26Å; P30-D362 HydrophobicContact CB-CB 4.06Å
31	I	73.9	Confident	69.2	Low	63 Å²	63	63.4 Å²	63.4	32%	0.323	35%	0.352	S	S	.	.			trans	-122	2.3	-177.8	60.7	175.3	0	0	0	113.9	I29 H33 Y326 I328	I29-I31 HydrophobicContact CB-CG2 4.46Å; I29-I31 HydrophobicContact CG2-CG2 3.81Å; I29-I31 PolarHBondContact O-N 3.23Å; I31-H33 PolarHBondContact O-N 3.47Å; I31-Y326 HydrophobicContact CD1-CE1 4.14Å; I31-Y326 HydrophobicContact CG2-CE1 4.33Å; I31-I328 HydrophobicContact CG2-CD1 3.86Å
32	S	72.7	Confident	71.2	Confident	55 Å²	55	61.9 Å²	61.9	39%	0.385	34%	0.34	S	S	.	.	S	Bend	trans	-70.4	-32.5	-170.9	81.3	0	0	0	0	113.3	A361 D362 Q363	S32-A361 PolarHBondContact N-O 2.81Å; S32-A361 VanDerWaalsContact N-O 3.11Å; S32-A361 PolarHBondContact OG-O 2.79Å; S32-D362 VanDerWaalsContact OG-CA 3.29Å; S32-D362 WeakPolarHBondContact OG-CA 3.47Å; S32-Q363 PolarHBondContact OG-N 2.82Å; S32-Q363 VanDerWaalsContact OG-N 3.09Å
33	H	74.1	Confident	72.9	Confident	54 Å²	54	58.6 Å²	58.6	25%	0.25	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	147.1	179	-58.1	-61.3	0	0	0	111.5	I31 K360 A361 F375	I31-H33 PolarHBondContact O-N 3.47Å; H33-K360 CarbonylContact O-C 3.4Å; H33-K360 WeakPolarHBondContact O-CA 3.44Å; H33-A361 PolarHBondContact N-O 2.73Å; H33-A361 PolarHBondContact O-N 2.82Å; H33-F375 HydrophobicContact CB-CD1 4.29Å; H33-F375 HydrophobicContact CB-CE1 3.48Å; H33-F375 VanDerWaalsContact CB-CE1 3.48Å; H33-F375 HydrophobicContact CB-CE2 3.85Å; H33-F375 HydrophobicContact CB-CZ 3.21Å
34	E	79.6	Confident	74.7	Confident	108 Å²	108	52.5 Å²	52.5	51%	0.505	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	147	174.2	67.4	173	-168.6	0	0	112.3	R358 V359 K360	E34-R358 IonicContact OE2-NH1 2.73Å; E34-V359 CarbonylContact C-O 3.43Å; E34-V359 VanDerWaalsContact CA-O 3.31Å; E34-V359 WeakPolarHBondContact CA-O 3.33Å; E34-K360 HydrophobicContact CB-CG 4.2Å
35	V	78	Confident	76.4	Confident	15 Å²	15	49 Å²	49	9%	0.091	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	131.3	172.3	173.2	0	0	0	0	108.8	L37 M77 R358 V359 F375	V35-L37 HydrophobicContact CG1-CD1 4.5Å; V35-L37 HydrophobicContact CG1-CD2 3.68Å; V35-L37 HydrophobicContact CG1-CG 3.94Å; V35-M77 HydrophobicContact CB-CE 4.43Å; V35-M77 HydrophobicContact CG1-CE 3.4Å; V35-M77 HydrophobicContact CG1-SD 3.86Å; V35-M77 HydrophobicContact CG2-CE 4.11Å; V35-R358 CarbonylContact O-C 3.53Å; V35-R358 VanDerWaalsContact O-CA 3.29Å; V35-R358 WeakPolarHBondContact O-CA 3.49Å; V35-V359 PolarHBondContact N-O 3.37Å; V35-V359 PolarHBondContact O-N 3.28Å; V35-F375 HydrophobicContact CG2-CE1 3.67Å; V35-F375 HydrophobicContact CG2-CE2 4.38Å; V35-F375 HydrophobicContact CG2-CZ 3.56Å
36	S	81.7	Confident	78	Confident	77 Å²	77	48.1 Å²	48.1	54%	0.538	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	118.8	174.4	59.7	0	0	0	0	111.3
37	L	85.3	Confident	79.3	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	140	-178.8	-56.5	174	0	0	0	109.6	V35 W56 W68 M73 M77 Y356 V357 V359	V35-L37 HydrophobicContact CG1-CD1 4.5Å; V35-L37 HydrophobicContact CG1-CD2 3.68Å; V35-L37 HydrophobicContact CG1-CG 3.94Å; L37-W56 HydrophobicContact CB-CZ2 4.44Å; L37-W56 HydrophobicContact CD1-CH2 4.28Å; L37-W56 HydrophobicContact CD1-CZ2 3.35Å; L37-W56 HydrophobicContact CG-CZ2 4.47Å; L37-W68 HydrophobicContact CB-CH2 4.25Å; L37-W68 HydrophobicContact CB-CZ3 4.17Å; L37-W68 HydrophobicContact CD1-CE3 4.39Å; L37-M73 HydrophobicContact CD1-SD 4.38Å; L37-M73 HydrophobicContact CD2-CE 4.28Å; L37-M73 HydrophobicContact CD2-SD 3.81Å; L37-M77 HydrophobicContact CD2-CB 3.6Å; L37-M77 HydrophobicContact CD2-CG 3.98Å; L37-M77 HydrophobicContact CD2-SD 3.53Å; L37-M77 VanDerWaalsContact CD2-SD 3.53Å; L37-Y356 CarbonylContact O-C 3.46Å; L37-Y356 WeakPolarHBondContact O-CA 3.46Å; L37-V357 PolarHBondContact N-O 3.14Å; L37-V357 PolarHBondContact O-N 2.59Å; L37-V359 HydrophobicContact CD1-CG2 4.36Å
38	S	87.3	Confident	80.8	Confident	64 Å²	64	40.9 Å²	40.9	45%	0.448	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	117.6	-177.1	66.5	0	0	0	0	112.6	W68	S38-W68 WeakPolarHBondContact O-CH2 3.33Å
39	H	86.5	Confident	81.7	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.23	C	C	.	.			trans	-83.7	-29.2	177.8	179.5	90.7	0	0	0	113.1	V44 S58 D62 A64 K66 S355	H39-V44 HydrophobicContact CB-CG2 3.28Å; H39-S58 PolarHBondContact CE1-O 3.38Å; H39-S58 WeakPolarHBondContact ND1-CB 3.43Å; H39-S58 PolarHBondContact ND1-OG 2.96Å; H39-D62 IonicContact CD2-OD1 3.28Å; H39-D62 IonicContact CD2-OD2 3.43Å; H39-D62 PolarHBondContact CD2-OD2 3.27Å; H39-D62 VanDerWaalsContact CD2-OD2 3.28Å; H39-D62 IonicContact NE2-OD1 2.76Å; H39-D62 PolarHBondContact NE2-OD1 3.27Å; H39-D62 IonicContact NE2-OD2 3.67Å; H39-D62 PolarHBondContact NE2-OD2 2.96Å; H39-A64 PolarHBondContact CE1-O 2.7Å; H39-A64 PolarHBondContact NE2-O 2.84Å; H39-K66 WeakPolarHBondContact O-CD 2.89Å; H39-K66 WeakPolarHBondContact O-CE 2.79Å; H39-K66 PolarHBondContact O-NZ 2.88Å; H39-S355 WeakPolarHBondContact CA-O 3.34Å; H39-S355 WeakPolarHBondContact CB-O 3.31Å; H39-S355 PolarHBondContact N-O 3.21Å
40	G	85	Confident	82.5	Confident	34 Å²	34	40.8 Å²	40.8	35%	0.351	23%	0.229	S	C	.	.			trans	166.5	-140.7	-170.7	0	0	0	0	0	113.3	S355	G40-S355 VanDerWaalsContact C-OG 3.26Å; G40-S355 PolarHBondContact N-OG 2.8Å; G40-S355 WeakPolarHBondContact O-CB 3.4Å; G40-S355 PolarHBondContact O-OG 3.09Å
41	E	83.4	Confident	83.2	Confident	187 Å²	187	43.4 Å²	43.4	87%	0.874	25%	0.247	S	C	*	.	S	Bend	trans	-110.2	-32.8	169.2	-65.9	-177.5	168.1	0	0	111.3
42	K	84.6	Confident	83.6	Confident	92 Å²	92	43 Å²	43	40%	0.4	25%	0.249	S	C	.	.	S	Bend	trans	-81.6	158	-178.7	-66.1	-166	-170	173.6	0	111.7	F61 D62 S355	K42-F61 HydrophobicContact CB-CB 4.19Å; K42-F61 HydrophobicContact CD-CB 4.38Å; K42-F61 WeakPolarHBondContact CD-O 3.21Å; K42-D62 HydrophobicContact CB-CB 3.97Å; K42-D62 HydrophobicContact CD-CB 3.98Å; K42-D62 HydrophobicContact CG-CB 4.21Å; K42-S355 WeakPolarHBondContact O-CB 3.38Å
43	P	80.3	Confident	84	Confident	43 Å²	43	40.5 Å²	40.5	28%	0.279	23%	0.232	S	C	.	.			trans	-64.8	137.3	178.3	23.8	-31.4	0	0	0	111.9	S45 G60 F61	P43-S45 PolarHBondContact O-N 2.67Å; P43-S45 VanDerWaalsContact O-N 3.1Å; P43-G60 WeakPolarHBondContact O-CA 3.46Å; P43-F61 HydrophobicContact CB-CD2 4.15Å; P43-F61 HydrophobicContact CG-CB 4.2Å; P43-F61 HydrophobicContact CG-CD2 3.67Å; P43-F61 HydrophobicContact CG-CE2 4.36Å; P43-F61 HydrophobicContact CG-CG 4.15Å; P43-F61 WeakPolarHBondContact O-CD2 3.49Å; P43-F61 PolarHBondContact O-N 2.75Å
44	V	85	Confident	84.4	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.23	C	C	.	.			trans	-70.1	62.8	177.5	179.7	0	0	0	0	117.4	H39 A46 L47 S58 G59 R351 V357	H39-V44 HydrophobicContact CB-CG2 3.28Å; V44-A46 PolarHBondContact O-N 3.13Å; V44-L47 HydrophobicContact CG1-CD2 3.85Å; V44-L47 HydrophobicContact CG1-CG 4.46Å; V44-S58 VanDerWaalsContact CG1-CB 3.46Å; V44-G59 CarbonylContact C-O 3.54Å; V44-G59 VanDerWaalsContact CA-O 3.29Å; V44-G59 WeakPolarHBondContact CA-O 3.32Å; V44-G59 WeakPolarHBondContact CG1-O 3.45Å; V44-R351 VanDerWaalsContact C-NE 3.34Å; V44-R351 HydrophobicContact CB-CG 3.79Å; V44-R351 VanDerWaalsContact CB-NE 3.25Å; V44-R351 HydrophobicContact CG1-CG 4.13Å; V44-R351 HydrophobicContact CG2-CG 4.5Å; V44-R351 WeakPolarHBondContact O-CD 3.21Å; V44-R351 PolarHBondContact O-NE 2.83Å; V44-R351 PolarHBondContact O-NH1 2.86Å; V44-R351 PolarHBondContact O-NH2 3.22Å; V44-V357 HydrophobicContact CG1-CG2 4Å; V44-V357 HydrophobicContact CG2-CG2 4.18Å
45	S	84.4	Confident	84.8	Confident	7 Å²	7	36.9 Å²	36.9	5%	0.049	22%	0.217	C	C	.	.			trans	-44.5	-8.1	-175.7	54.6	0	0	0	0	121.8	P43 G59 G60 F61 M91 H339 R351	P43-S45 PolarHBondContact O-N 2.67Å; P43-S45 VanDerWaalsContact O-N 3.1Å; S45-G59 PolarHBondContact N-O 3.35Å; S45-G59 PolarHBondContact OG-O 2.89Å; S45-G60 WeakPolarHBondContact OG-CA 3.32Å; S45-G60 PolarHBondContact OG-O 2.86Å; S45-F61 VanDerWaalsContact CB-CE2 3.5Å; S45-M91 WeakPolarHBondContact CB-O 3.34Å; S45-M91 PolarHBondContact OG-O 3.49Å; S45-H339 VanDerWaalsContact C-CD2 3.46Å; S45-H339 PolarHBondContact O-CD2 3.22Å; S45-H339 PolarHBondContact O-NE2 3.24Å; S45-R351 VanDerWaalsContact CA-NH1 3.31Å
46	A	86.1	Confident	85.4	Confident	2 Å²	2	36.4 Å²	36.4	2%	0.017	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	151.5	174.1	0	0	0	0	0	111.5	V44 S58 G59 V94	V44-A46 PolarHBondContact O-N 3.13Å; A46-S58 WeakPolarHBondContact O-CA 3.44Å; A46-G59 PolarHBondContact N-O 3.16Å; A46-G59 PolarHBondContact O-N 2.88Å; A46-V94 HydrophobicContact CB-CB 4.24Å; A46-V94 HydrophobicContact CB-CG2 3.82Å
47	L	88.2	Confident	85.9	Confident	14 Å²	14	32.7 Å²	32.7	7%	0.073	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	142.2	172.2	-67.9	174.1	0	0	0	109.7	V44 W56 A57 V94 H339 L341 T349 R351 V357	V44-L47 HydrophobicContact CG1-CD2 3.85Å; V44-L47 HydrophobicContact CG1-CG 4.46Å; L47-W56 HydrophobicContact CD2-CE3 4.08Å; L47-W56 HydrophobicContact CD2-CZ3 3.72Å; L47-A57 WeakPolarHBondContact CA-O 3.31Å; L47-V94 CarbonylContact C-O 3.11Å; L47-V94 VanDerWaalsContact O-O 3.13Å; L47-H339 HydrophobicContact CB-CB 4.4Å; L47-H339 HydrophobicContact CD1-CB 4.11Å; L47-H339 HydrophobicContact CG-CB 4.26Å; L47-L341 HydrophobicContact CB-CD1 3.61Å; L47-L341 HydrophobicContact CB-CG 4.16Å; L47-T349 HydrophobicContact CD1-CG2 4.12Å; L47-R351 HydrophobicContact CD1-CB 3.78Å; L47-V357 HydrophobicContact CD2-CG1 4.23Å; L47-V357 HydrophobicContact CD2-CG2 4.07Å
48	G	89.1	Confident	86.2	Confident	3 Å²	3	32.7 Å²	32.7	3%	0.031	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	138	170.6	0	0	0	0	0	110.8	W56 A57 V94 F96	G48-W56 CarbonylContact O-C 3.53Å; G48-W56 VanDerWaalsContact O-CA 3.24Å; G48-W56 WeakPolarHBondContact O-CA 3.23Å; G48-W56 WeakPolarHBondContact O-CB 3.46Å; G48-A57 PolarHBondContact N-O 3.5Å; G48-A57 PolarHBondContact O-N 3.15Å; G48-V94 VanDerWaalsContact CA-O 3.27Å; G48-V94 WeakPolarHBondContact CA-O 3.3Å; G48-F96 WeakPolarHBondContact O-CE2 3.44Å
49	L	88.2	Confident	86.4	Confident	35 Å²	35	29.6 Å²	29.6	18%	0.183	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	140.2	177.3	-175.7	70.4	0	0	0	109.7	R55 W56 F96 L341 Y343	L49-R55 WeakPolarHBondContact CD1-O 3.39Å; L49-W56 HydrophobicContact CD1-CB 3.77Å; L49-F96 VanDerWaalsContact C-CD2 3.44Å; L49-F96 WeakPolarHBondContact O-CD2 3.31Å; L49-L341 HydrophobicContact CB-CD1 4Å; L49-Y343 VanDerWaalsContact CD2-CB 3.5Å; L49-Y343 HydrophobicContact CD2-CD2 3.58Å; L49-Y343 HydrophobicContact CD2-CG 3.7Å
50	D	88.7	Confident	86.5	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.005	17%	0.166	C	C	.	.			trans	-69.4	142.1	172.2	-176.1	60.6	0	0	0	110.7	S52 G53 R55 F96 G100 R117	D50-S52 PolarHBondContact O-N 2.88Å; D50-S52 VanDerWaalsContact OD2-CB 3.29Å; D50-S52 WeakPolarHBondContact OD2-CB 3.3Å; D50-S52 PolarHBondContact OD2-N 2.96Å; D50-S52 PolarHBondContact OD2-OG 3.11Å; D50-G53 PolarHBondContact O-N 2.86Å; D50-R55 HydrophobicContact CB-CB 4.04Å; D50-R55 WeakPolarHBondContact CB-O 3Å; D50-R55 PolarHBondContact N-O 2.97Å; D50-F96 HydrophobicContact CB-CD1 4.1Å; D50-F96 HydrophobicContact CB-CE1 4.25Å; D50-F96 HydrophobicContact CB-CG 4.32Å; D50-G100 WeakPolarHBondContact OD1-CA 3.41Å; D50-R117 IonicContact OD1-CZ 2.68Å; D50-R117 IonicContact OD1-NE 2.83Å; D50-R117 IonicContact OD1-NH2 3.56Å; D50-R117 PolarHBondContact OD1-NH2 2.87Å; D50-R117 IonicContact OD2-CZ 3.78Å; D50-R117 IonicContact OD2-NH2 3.8Å; D50-R117 PolarHBondContact OD2-NH2 3.44Å
51	P	85	Confident	86.6	Confident	57 Å²	57	32.3 Å²	32.3	37%	0.37	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-18	178.5	-27.7	36.4	0	0	0	115	N97 H98 Y343	P51-N97 WeakPolarHBondContact CG-O 3.4Å; P51-H98 VanDerWaalsContact CG-O 3.31Å; P51-H98 WeakPolarHBondContact CG-O 3.47Å; P51-Y343 WeakPolarHBondContact O-CE2 3.39Å; P51-Y343 PolarHBondContact O-OH 3.27Å
52	S	83.3	Confident	86.9	Confident	55 Å²	55	25.2 Å²	25.2	39%	0.385	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-10.3	173.7	77.9	0	0	0	0	114.4	D50 A54 Y343	D50-S52 PolarHBondContact O-N 2.88Å; D50-S52 VanDerWaalsContact OD2-CB 3.29Å; D50-S52 WeakPolarHBondContact OD2-CB 3.3Å; D50-S52 PolarHBondContact OD2-N 2.96Å; D50-S52 PolarHBondContact OD2-OG 3.11Å; S52-A54 PolarHBondContact O-N 3.49Å; S52-A54 PolarHBondContact OG-N 3.29Å; S52-Y343 PolarHBondContact O-OH 3.37Å
53	G	80.5	Confident	87.3	Confident	2 Å²	2	24.9 Å²	24.9	2%	0.021	13%	0.133	C	C	.	.	S	Bend	trans	74.2	-10.1	-173.3	0	0	0	0	0	114.8	D50 R55 F70 L370	D50-G53 PolarHBondContact O-N 2.86Å; G53-R55 PolarHBondContact O-N 2.8Å; G53-F70 WeakPolarHBondContact O-CD2 3.42Å; G53-L370 WeakPolarHBondContact O-CD1 3.45Å
54	A	83.3	Confident	87.9	Confident	24 Å²	24	23.3 Å²	23.3	20%	0.198	12%	0.124	C	C	.	.	S	Bend	trans	-76.2	-24.9	-173.4	0	0	0	0	0	114.2	S52 F70	S52-A54 PolarHBondContact O-N 3.49Å; S52-A54 PolarHBondContact OG-N 3.29Å; A54-F70 WeakPolarHBondContact O-CD2 3.19Å; A54-F70 PolarHBondContact O-N 3.42Å
55	R	87.6	Confident	88.4	Confident	61 Å²	61	23.3 Å²	23.3	23%	0.23	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	151.8	-176.1	-70.2	-176.2	173.7	-171.3	-3	111	L49 D50 G53 W68 D69 D118	L49-R55 WeakPolarHBondContact CD1-O 3.39Å; D50-R55 HydrophobicContact CB-CB 4.04Å; D50-R55 WeakPolarHBondContact CB-O 3Å; D50-R55 PolarHBondContact N-O 2.97Å; G53-R55 PolarHBondContact O-N 2.8Å; R55-W68 VanDerWaalsContact CA-O 3.26Å; R55-W68 WeakPolarHBondContact CA-O 3.17Å; R55-W68 WeakPolarHBondContact CB-O 3.18Å; R55-D69 HydrophobicContact CG-CB 4.09Å; R55-D69 IonicContact CZ-OD2 3.33Å; R55-D69 IonicContact NE-OD2 3.28Å; R55-D69 PolarHBondContact NE-OD2 3.48Å; R55-D69 IonicContact NH2-OD2 2.82Å; R55-D69 PolarHBondContact NH2-OD2 3.39Å; R55-D118 IonicContact NH1-OD1 3.04Å
56	W	90.8	Very high	88.8	Confident	5 Å²	5	24.8 Å²	24.8	2%	0.019	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	166.8	175	65	-80.2	0	0	0	110.5	L37 L47 G48 L49 W68 F70 V357	L37-W56 HydrophobicContact CB-CZ2 4.44Å; L37-W56 HydrophobicContact CD1-CH2 4.28Å; L37-W56 HydrophobicContact CD1-CZ2 3.35Å; L37-W56 HydrophobicContact CG-CZ2 4.47Å; L47-W56 HydrophobicContact CD2-CE3 4.08Å; L47-W56 HydrophobicContact CD2-CZ3 3.72Å; G48-W56 CarbonylContact O-C 3.53Å; G48-W56 VanDerWaalsContact O-CA 3.24Å; G48-W56 WeakPolarHBondContact O-CA 3.23Å; G48-W56 WeakPolarHBondContact O-CB 3.46Å; L49-W56 HydrophobicContact CD1-CB 3.77Å; W56-W68 HydrophobicContact CD2-CB 3.79Å; W56-W68 AromaticContact CD2-CD1 3.6Å; W56-W68 AromaticContact CD2-CG 3.84Å; W56-W68 HydrophobicContact CD2-CG 3.84Å; W56-W68 AromaticContact CE2-CD1 3.48Å; W56-W68 VanDerWaalsContact CE2-CD1 3.48Å; W56-W68 AromaticContact CE2-CD2 4Å; W56-W68 AromaticContact CE2-CG 3.28Å; W56-W68 AromaticContact CE3-CD1 3.59Å; W56-W68 HydrophobicContact CE3-CG 4.25Å; W56-W68 HydrophobicContact CG-CB 3.95Å; W56-W68 HydrophobicContact CG-CG 4.48Å; W56-W68 HydrophobicContact CH2-CB 4.47Å; W56-W68 AromaticContact CH2-CD1 3.27Å; W56-W68 AromaticContact CH2-CD2 3.72Å; W56-W68 HydrophobicContact CH2-CD2 3.72Å; W56-W68 AromaticContact CH2-CE2 3.46Å; W56-W68 VanDerWaalsContact CH2-CE2 3.46Å; W56-W68 AromaticContact CH2-CG 3.62Å; W56-W68 HydrophobicContact CH2-CG 3.62Å; W56-W68 HydrophobicContact CH2-CZ2 4.16Å; W56-W68 AromaticContact CH2-NE1 3.17Å; W56-W68 HydrophobicContact CZ2-CB 3.6Å; W56-W68 AromaticContact CZ2-CD1 3.27Å; W56-W68 AromaticContact CZ2-CD2 3.32Å; W56-W68 HydrophobicContact CZ2-CD2 3.32Å; W56-W68 AromaticContact CZ2-CE2 3.62Å; W56-W68 AromaticContact CZ2-CE3 3.99Å; W56-W68 HydrophobicContact CZ2-CE3 3.99Å; W56-W68 AromaticContact CZ2-CG 3.11Å; W56-W68 HydrophobicContact CZ2-CG 3.11Å; W56-W68 HydrophobicContact CZ2-CZ2 4.48Å; W56-W68 AromaticContact CZ2-NE1 3.57Å; W56-W68 AromaticContact CZ3-CD1 3.46Å; W56-W68 VanDerWaalsContact CZ3-CD1 3.46Å; W56-W68 HydrophobicContact CZ3-CG 4.17Å; W56-W68 AromaticContact CZ3-NE1 3.51Å; W56-W68 PolarHBondContact N-O 3.08Å; W56-W68 AromaticContact NE1-CG 3.77Å; W56-W68 PolarHBondContact O-N 3.04Å; W56-F70 AromaticContact CD1-CE1 3.9Å; W56-F70 AromaticContact CD1-CE2 3.34Å; W56-F70 AromaticContact CD1-CZ 3.24Å; W56-F70 HydrophobicContact CG-CE2 4.37Å; W56-F70 HydrophobicContact CG-CZ 4.28Å; W56-F70 AromaticContact NE1-CE1 3.48Å; W56-F70 AromaticContact NE1-CE2 3.84Å; W56-F70 AromaticContact NE1-CZ 3.25Å; W56-V357 HydrophobicContact CH2-CB 3.65Å; W56-V357 HydrophobicContact CH2-CG1 3.58Å; W56-V357 HydrophobicContact CH2-CG2 3.73Å; W56-V357 HydrophobicContact CZ2-CG1 4.32Å; W56-V357 HydrophobicContact CZ3-CB 4.07Å; W56-V357 HydrophobicContact CZ3-CG1 3.68Å; W56-V357 HydrophobicContact CZ3-CG2 3.85Å
57	A	92.3	Very high	89.2	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	140.6	-178	0	0	0	0	0	110.3	L47 G48 L65 K66 L67 V94 F96	L47-A57 WeakPolarHBondContact CA-O 3.31Å; G48-A57 PolarHBondContact N-O 3.5Å; G48-A57 PolarHBondContact O-N 3.15Å; A57-L65 HydrophobicContact CB-CD1 4.29Å; A57-K66 CarbonylContact C-O 3.53Å; A57-K66 VanDerWaalsContact CA-O 3.28Å; A57-K66 WeakPolarHBondContact CA-O 3.38Å; A57-L67 HydrophobicContact CB-CD2 3.58Å; A57-V94 HydrophobicContact CB-CG1 3.74Å; A57-F96 HydrophobicContact CB-CE2 3.78Å; A57-F96 HydrophobicContact CB-CZ 4.06Å
58	S	91.6	Very high	89.3	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	131.8	169.7	46.1	0	0	0	0	111.1	H39 V44 A46 L65 K66 W68	H39-S58 PolarHBondContact CE1-O 3.38Å; H39-S58 WeakPolarHBondContact ND1-CB 3.43Å; H39-S58 PolarHBondContact ND1-OG 2.96Å; V44-S58 VanDerWaalsContact CG1-CB 3.46Å; A46-S58 WeakPolarHBondContact O-CA 3.44Å; S58-L65 CarbonylContact O-C 3.33Å; S58-L65 WeakPolarHBondContact O-CA 3.22Å; S58-K66 PolarHBondContact N-O 3.37Å; S58-K66 PolarHBondContact O-N 3.22Å; S58-W68 PolarHBondContact OG-NE1 3.25Å
59	G	91.1	Very high	89.3	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	140.9	166.7	0	0	0	0	0	110.1	V44 S45 A46 A64	V44-G59 CarbonylContact C-O 3.54Å; V44-G59 VanDerWaalsContact CA-O 3.29Å; V44-G59 WeakPolarHBondContact CA-O 3.32Å; V44-G59 WeakPolarHBondContact CG1-O 3.45Å; S45-G59 PolarHBondContact N-O 3.35Å; S45-G59 PolarHBondContact OG-O 2.89Å; A46-G59 PolarHBondContact N-O 3.16Å; A46-G59 PolarHBondContact O-N 2.88Å; G59-A64 WeakPolarHBondContact CA-O 3.3Å
60	G	88	Confident	89	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.126	C	C	.	.			trans	-121.7	170.1	178.7	0	0	0	0	0	115.4	P43 S45 D62 Y63 A64	P43-G60 WeakPolarHBondContact O-CA 3.46Å; S45-G60 WeakPolarHBondContact OG-CA 3.32Å; S45-G60 PolarHBondContact OG-O 2.86Å; G60-D62 VanDerWaalsContact CA-OD1 3.23Å; G60-D62 WeakPolarHBondContact CA-OD1 3.37Å; G60-D62 PolarHBondContact O-N 3.26Å; G60-Y63 PolarHBondContact O-N 3.16Å; G60-A64 PolarHBondContact N-O 3.32Å
61	F	88.2	Confident	88.7	Confident	91 Å²	91	27.1 Å²	27.1	40%	0.399	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-5.6	166.3	-80.9	-90.2	0	0	0	112.7	K42 P43 S45 V90	K42-F61 HydrophobicContact CB-CB 4.19Å; K42-F61 HydrophobicContact CD-CB 4.38Å; K42-F61 WeakPolarHBondContact CD-O 3.21Å; P43-F61 HydrophobicContact CB-CD2 4.15Å; P43-F61 HydrophobicContact CG-CB 4.2Å; P43-F61 HydrophobicContact CG-CD2 3.67Å; P43-F61 HydrophobicContact CG-CE2 4.36Å; P43-F61 HydrophobicContact CG-CG 4.15Å; P43-F61 WeakPolarHBondContact O-CD2 3.49Å; P43-F61 PolarHBondContact O-N 2.75Å; S45-F61 VanDerWaalsContact CB-CE2 3.5Å; F61-V90 HydrophobicContact CD1-CB 4.37Å; F61-V90 HydrophobicContact CD1-CG1 3.59Å; F61-V90 HydrophobicContact CD1-CG2 3.83Å; F61-V90 HydrophobicContact CD2-CG1 4.49Å; F61-V90 HydrophobicContact CE1-CG1 3.83Å; F61-V90 HydrophobicContact CE1-CG2 4.41Å; F61-V90 HydrophobicContact CG-CG1 3.94Å; F61-V90 HydrophobicContact CZ-CG1 4.39Å
62	D	89.5	Confident	88.3	Confident	37 Å²	37	27.4 Å²	27.4	20%	0.198	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	6.7	168.5	54.7	3.7	0	0	0	113.6	H39 K42 G60 A64	H39-D62 IonicContact CD2-OD1 3.28Å; H39-D62 IonicContact CD2-OD2 3.43Å; H39-D62 PolarHBondContact CD2-OD2 3.27Å; H39-D62 VanDerWaalsContact CD2-OD2 3.28Å; H39-D62 IonicContact NE2-OD1 2.76Å; H39-D62 PolarHBondContact NE2-OD1 3.27Å; H39-D62 IonicContact NE2-OD2 3.67Å; H39-D62 PolarHBondContact NE2-OD2 2.96Å; K42-D62 HydrophobicContact CB-CB 3.97Å; K42-D62 HydrophobicContact CD-CB 3.98Å; K42-D62 HydrophobicContact CG-CB 4.21Å; G60-D62 VanDerWaalsContact CA-OD1 3.23Å; G60-D62 WeakPolarHBondContact CA-OD1 3.37Å; G60-D62 PolarHBondContact O-N 3.26Å; D62-A64 PolarHBondContact O-N 2.89Å; D62-A64 VanDerWaalsContact O-N 3.08Å; D62-A64 PolarHBondContact OD1-N 3.23Å
63	Y	92.8	Very high	88.2	Confident	86 Å²	86	25.6 Å²	25.6	34%	0.337	15%	0.154	S	C	.	.	S	Bend	trans	67.1	1.2	-178.1	-36.7	-56.1	0	0	0	113.5	G60 H89 V90	G60-Y63 PolarHBondContact O-N 3.16Å; Y63-H89 WeakPolarHBondContact CD1-O 3.27Å; Y63-V90 HydrophobicContact CD1-CG2 4.1Å; Y63-V90 HydrophobicContact CE1-CG2 3.68Å
64	A	93	Very high	88.2	Confident	10 Å²	10	29.9 Å²	29.9	8%	0.083	18%	0.176	C	C	.	.			trans	-87.3	136.2	-179.3	0	0	0	0	0	110.5	H39 G59 G60 D62	H39-A64 PolarHBondContact CE1-O 2.7Å; H39-A64 PolarHBondContact NE2-O 2.84Å; G59-A64 WeakPolarHBondContact CA-O 3.3Å; G60-A64 PolarHBondContact N-O 3.32Å; D62-A64 PolarHBondContact O-N 2.89Å; D62-A64 VanDerWaalsContact O-N 3.08Å; D62-A64 PolarHBondContact OD1-N 3.23Å
65	L	94.3	Very high	88	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	118.5	162.9	-177.3	76.5	0	0	0	107.8	A57 S58 L67 L83 P85 V94 V105 L115	A57-L65 HydrophobicContact CB-CD1 4.29Å; S58-L65 CarbonylContact O-C 3.33Å; S58-L65 WeakPolarHBondContact O-CA 3.22Å; L65-L67 HydrophobicContact CD2-CD2 4.28Å; L65-L67 HydrophobicContact CG-CD2 4.36Å; L65-L83 HydrophobicContact CB-CD1 4.04Å; L65-L83 HydrophobicContact CB-CG 4.06Å; L65-L83 HydrophobicContact CD2-CD1 3.93Å; L65-L83 HydrophobicContact CD2-CD2 4.24Å; L65-L83 HydrophobicContact CD2-CG 4.22Å; L65-L83 PolarHBondContact N-O 3.38Å; L65-L83 PolarHBondContact O-N 3.07Å; L65-P85 HydrophobicContact CB-CG 4.31Å; L65-V94 HydrophobicContact CD1-CB 4.4Å; L65-V94 HydrophobicContact CD1-CG1 3.91Å; L65-V94 HydrophobicContact CD1-CG2 3.57Å; L65-V105 HydrophobicContact CD2-CG2 3.88Å; L65-L115 HydrophobicContact CD2-CD1 3.51Å
66	K	93.4	Very high	87.7	Confident	38 Å²	38	32.2 Å²	32.2	17%	0.165	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	136.4	173.7	-71.6	-173	169.6	-170.5	0	110.1	H39 A57 S58 W68 R81	H39-K66 WeakPolarHBondContact O-CD 2.89Å; H39-K66 WeakPolarHBondContact O-CE 2.79Å; H39-K66 PolarHBondContact O-NZ 2.88Å; A57-K66 CarbonylContact C-O 3.53Å; A57-K66 VanDerWaalsContact CA-O 3.28Å; A57-K66 WeakPolarHBondContact CA-O 3.38Å; S58-K66 PolarHBondContact N-O 3.37Å; S58-K66 PolarHBondContact O-N 3.22Å; K66-W68 HydrophobicContact CB-CZ2 4.03Å; K66-W68 HydrophobicContact CD-CZ2 3.92Å; K66-R81 WeakPolarHBondContact CA-O 3.21Å
67	L	93.4	Very high	87.3	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	140.8	176.3	-54.8	179.3	0	0	0	109.4	A57 L65 S79 F80 R81 L83 I103	A57-L67 HydrophobicContact CB-CD2 3.58Å; L65-L67 HydrophobicContact CD2-CD2 4.28Å; L65-L67 HydrophobicContact CG-CD2 4.36Å; L67-S79 WeakPolarHBondContact O-CB 2.91Å; L67-F80 HydrophobicContact CB-CD1 4.15Å; L67-F80 HydrophobicContact CB-CE1 3.35Å; L67-F80 HydrophobicContact CB-CE2 4.19Å; L67-F80 HydrophobicContact CB-CZ 3.37Å; L67-F80 HydrophobicContact CD1-CE2 4.4Å; L67-F80 HydrophobicContact CD1-CZ 3.92Å; L67-F80 HydrophobicContact CG-CZ 4.3Å; L67-F80 WeakPolarHBondContact O-CD1 3.48Å; L67-F80 PolarHBondContact O-N 2.93Å; L67-R81 HydrophobicContact CB-CB 4.32Å; L67-R81 HydrophobicContact CD1-CB 4.4Å; L67-R81 PolarHBondContact N-O 3.44Å; L67-L83 HydrophobicContact CD1-CD2 4.26Å; L67-I103 HydrophobicContact CD2-CD1 3.79Å
68	W	91.1	Very high	87.1	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	139.9	-171.7	-53.4	90.8	0	0	0	109.7	L37 S38 R55 W56 S58 K66 M77	L37-W68 HydrophobicContact CB-CH2 4.25Å; L37-W68 HydrophobicContact CB-CZ3 4.17Å; L37-W68 HydrophobicContact CD1-CE3 4.39Å; S38-W68 WeakPolarHBondContact O-CH2 3.33Å; R55-W68 VanDerWaalsContact CA-O 3.26Å; R55-W68 WeakPolarHBondContact CA-O 3.17Å; R55-W68 WeakPolarHBondContact CB-O 3.18Å; W56-W68 HydrophobicContact CD2-CB 3.79Å; W56-W68 AromaticContact CD2-CD1 3.6Å; W56-W68 AromaticContact CD2-CG 3.84Å; W56-W68 HydrophobicContact CD2-CG 3.84Å; W56-W68 AromaticContact CE2-CD1 3.48Å; W56-W68 VanDerWaalsContact CE2-CD1 3.48Å; W56-W68 AromaticContact CE2-CD2 4Å; W56-W68 AromaticContact CE2-CG 3.28Å; W56-W68 AromaticContact CE3-CD1 3.59Å; W56-W68 HydrophobicContact CE3-CG 4.25Å; W56-W68 HydrophobicContact CG-CB 3.95Å; W56-W68 HydrophobicContact CG-CG 4.48Å; W56-W68 HydrophobicContact CH2-CB 4.47Å; W56-W68 AromaticContact CH2-CD1 3.27Å; W56-W68 AromaticContact CH2-CD2 3.72Å; W56-W68 HydrophobicContact CH2-CD2 3.72Å; W56-W68 AromaticContact CH2-CE2 3.46Å; W56-W68 VanDerWaalsContact CH2-CE2 3.46Å; W56-W68 AromaticContact CH2-CG 3.62Å; W56-W68 HydrophobicContact CH2-CG 3.62Å; W56-W68 HydrophobicContact CH2-CZ2 4.16Å; W56-W68 AromaticContact CH2-NE1 3.17Å; W56-W68 HydrophobicContact CZ2-CB 3.6Å; W56-W68 AromaticContact CZ2-CD1 3.27Å; W56-W68 AromaticContact CZ2-CD2 3.32Å; W56-W68 HydrophobicContact CZ2-CD2 3.32Å; W56-W68 AromaticContact CZ2-CE2 3.62Å; W56-W68 AromaticContact CZ2-CE3 3.99Å; W56-W68 HydrophobicContact CZ2-CE3 3.99Å; W56-W68 AromaticContact CZ2-CG 3.11Å; W56-W68 HydrophobicContact CZ2-CG 3.11Å; W56-W68 HydrophobicContact CZ2-CZ2 4.48Å; W56-W68 AromaticContact CZ2-NE1 3.57Å; W56-W68 AromaticContact CZ3-CD1 3.46Å; W56-W68 VanDerWaalsContact CZ3-CD1 3.46Å; W56-W68 HydrophobicContact CZ3-CG 4.17Å; W56-W68 AromaticContact CZ3-NE1 3.51Å; W56-W68 PolarHBondContact N-O 3.08Å; W56-W68 AromaticContact NE1-CG 3.77Å; W56-W68 PolarHBondContact O-N 3.04Å; S58-W68 PolarHBondContact OG-NE1 3.25Å; K66-W68 HydrophobicContact CB-CZ2 4.03Å; K66-W68 HydrophobicContact CD-CZ2 3.92Å; W68-M77 WeakPolarHBondContact CZ3-O 3.18Å
69	D	88.5	Confident	87	Confident	34 Å²	34	38.9 Å²	38.9	18%	0.182	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	114.4	179.8	-171.6	-23.7	0	0	0	108	R55 G71 G72 M73 F80	R55-D69 HydrophobicContact CG-CB 4.09Å; R55-D69 IonicContact CZ-OD2 3.33Å; R55-D69 IonicContact NE-OD2 3.28Å; R55-D69 PolarHBondContact NE-OD2 3.48Å; R55-D69 IonicContact NH2-OD2 2.82Å; R55-D69 PolarHBondContact NH2-OD2 3.39Å; D69-G71 VanDerWaalsContact C-N 3.27Å; D69-G71 PolarHBondContact O-N 2.81Å; D69-G71 PolarHBondContact OD1-N 3.47Å; D69-G72 PolarHBondContact O-N 2.66Å; D69-M73 WeakPolarHBondContact O-CB 3.29Å; D69-M73 PolarHBondContact O-N 3.19Å; D69-F80 HydrophobicContact CB-CD1 3.89Å; D69-F80 HydrophobicContact CB-CE1 4.11Å
70	F	81.9	Confident	86.9	Confident	6 Å²	6	43.1 Å²	43.1	3%	0.026	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-28.3	-179	-65.4	-63.6	0	0	0	112.3	G53 A54 W56 M73 V359 L370 S373	G53-F70 WeakPolarHBondContact O-CD2 3.42Å; A54-F70 WeakPolarHBondContact O-CD2 3.19Å; A54-F70 PolarHBondContact O-N 3.42Å; W56-F70 AromaticContact CD1-CE1 3.9Å; W56-F70 AromaticContact CD1-CE2 3.34Å; W56-F70 AromaticContact CD1-CZ 3.24Å; W56-F70 HydrophobicContact CG-CE2 4.37Å; W56-F70 HydrophobicContact CG-CZ 4.28Å; W56-F70 AromaticContact NE1-CE1 3.48Å; W56-F70 AromaticContact NE1-CE2 3.84Å; W56-F70 AromaticContact NE1-CZ 3.25Å; F70-M73 HydrophobicContact CD1-CE 3.99Å; F70-V359 HydrophobicContact CE1-CG1 4.47Å; F70-V359 HydrophobicContact CE1-CG2 4.24Å; F70-V359 HydrophobicContact CZ-CG1 4.23Å; F70-V359 HydrophobicContact CZ-CG2 4.13Å; F70-L370 HydrophobicContact CB-CD1 4.03Å; F70-L370 HydrophobicContact CB-CG 3.97Å; F70-L370 HydrophobicContact CD1-CD2 4.07Å; F70-L370 HydrophobicContact CD1-CG 4.28Å; F70-L370 HydrophobicContact CD2-CD1 3.37Å; F70-L370 HydrophobicContact CD2-CD2 4.02Å; F70-L370 HydrophobicContact CD2-CG 3.83Å; F70-L370 HydrophobicContact CE1-CD2 4.1Å; F70-L370 HydrophobicContact CE2-CD1 3.88Å; F70-L370 HydrophobicContact CE2-CD2 4.01Å; F70-L370 HydrophobicContact CE2-CG 4.3Å; F70-L370 HydrophobicContact CG-CD1 3.82Å; F70-L370 HydrophobicContact CG-CD2 4.02Å; F70-L370 HydrophobicContact CG-CG 3.79Å; F70-L370 HydrophobicContact CZ-CD2 4.06Å; F70-S373 WeakPolarHBondContact O-CB 3.19Å; F70-S373 PolarHBondContact O-OG 2.78Å
71	G	82.2	Confident	87.1	Confident	59 Å²	59	48.3 Å²	48.3	61%	0.608	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-31.3	-179	0	0	0	0	0	113.1	D69	D69-G71 VanDerWaalsContact C-N 3.27Å; D69-G71 PolarHBondContact O-N 2.81Å; D69-G71 PolarHBondContact OD1-N 3.47Å
72	G	78.4	Confident	87.3	Confident	64 Å²	64	47.4 Å²	47.4	66%	0.66	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-2.3	179.9	0	0	0	0	0	115.1	D69	D69-G72 PolarHBondContact O-N 2.66Å
73	M	80.8	Confident	87.6	Confident	17 Å²	17	47 Å²	47	8%	0.084	29%	0.286	C	S	.	.			trans	-76.6	126.7	-176.6	-164.3	165	60.5	0	0	111	L37 D69 F70 M77 C374	L37-M73 HydrophobicContact CD1-SD 4.38Å; L37-M73 HydrophobicContact CD2-CE 4.28Å; L37-M73 HydrophobicContact CD2-SD 3.81Å; D69-M73 WeakPolarHBondContact O-CB 3.29Å; D69-M73 PolarHBondContact O-N 3.19Å; F70-M73 HydrophobicContact CD1-CE 3.99Å; M73-M77 HydrophobicContact CE-CE 4.27Å; M73-M77 HydrophobicContact CE-SD 3.33Å; M73-M77 WeakPolarHBondContact CE-SD 3.33Å; M73-M77 HydrophobicContact CG-SD 3.98Å; M73-M77 HydrophobicContact SD-SD 3.51Å; M73-C374 HydrophobicContact CE-CB 4.14Å; M73-C374 VanDerWaalsContact CE-SG 3.58Å
74	D	79.7	Confident	87.6	Confident	92 Å²	92	46.7 Å²	46.7	49%	0.492	29%	0.293	S	S	.	.			trans	-92.1	-174.6	171.2	66.8	-2.9	0	0	0	110.8	S76 M77	D74-S76 PolarHBondContact O-N 2.81Å; D74-S76 WeakPolarHBondContact OD1-CA 3.2Å; D74-S76 WeakPolarHBondContact OD1-CB 3.29Å; D74-S76 PolarHBondContact OD1-N 3.01Å; D74-S76 PolarHBondContact OD1-OG 2.98Å; D74-M77 PolarHBondContact O-N 2.69Å; D74-M77 VanDerWaalsContact O-N 3.15Å
75	A	80.4	Confident	87.5	Confident	73 Å²	73	46.9 Å²	46.9	60%	0.603	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-11.1	176	0	0	0	0	0	113.8	M77	A75-M77 VanDerWaalsContact C-N 3.26Å; A75-M77 PolarHBondContact O-N 3.43Å
76	S	81	Confident	87.3	Confident	60 Å²	60	46.9 Å²	46.9	42%	0.42	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-20.2	176.3	82.1	0	0	0	0	112.6	D74 T78	D74-S76 PolarHBondContact O-N 2.81Å; D74-S76 WeakPolarHBondContact OD1-CA 3.2Å; D74-S76 WeakPolarHBondContact OD1-CB 3.29Å; D74-S76 PolarHBondContact OD1-N 3.01Å; D74-S76 PolarHBondContact OD1-OG 2.98Å; S76-T78 PolarHBondContact O-N 2.9Å; S76-T78 VanDerWaalsContact O-N 3.17Å; S76-T78 WeakPolarHBondContact OG-CG2 3.4Å; S76-T78 PolarHBondContact OG-OG1 2.93Å
77	M	82.5	Confident	86.8	Confident	31 Å²	31	52.5 Å²	52.5	15%	0.153	32%	0.321	C	S	.	.			trans	54.2	35.5	178.4	-65.7	-65.8	-161.2	0	0	112.6	V35 L37 W68 M73 D74 A75	V35-M77 HydrophobicContact CB-CE 4.43Å; V35-M77 HydrophobicContact CG1-CE 3.4Å; V35-M77 HydrophobicContact CG1-SD 3.86Å; V35-M77 HydrophobicContact CG2-CE 4.11Å; L37-M77 HydrophobicContact CD2-CB 3.6Å; L37-M77 HydrophobicContact CD2-CG 3.98Å; L37-M77 HydrophobicContact CD2-SD 3.53Å; L37-M77 VanDerWaalsContact CD2-SD 3.53Å; W68-M77 WeakPolarHBondContact CZ3-O 3.18Å; M73-M77 HydrophobicContact CE-CE 4.27Å; M73-M77 HydrophobicContact CE-SD 3.33Å; M73-M77 WeakPolarHBondContact CE-SD 3.33Å; M73-M77 HydrophobicContact CG-SD 3.98Å; M73-M77 HydrophobicContact SD-SD 3.51Å; D74-M77 PolarHBondContact O-N 2.69Å; D74-M77 VanDerWaalsContact O-N 3.15Å; A75-M77 VanDerWaalsContact C-N 3.26Å; A75-M77 PolarHBondContact O-N 3.43Å
78	T	86.5	Confident	86.5	Confident	89 Å²	89	57.3 Å²	57.3	55%	0.546	35%	0.353	S	S	.	.			trans	-94.2	151.1	-178	55.4	0	0	0	0	111.9	S76	S76-T78 PolarHBondContact O-N 2.9Å; S76-T78 VanDerWaalsContact O-N 3.17Å; S76-T78 WeakPolarHBondContact OG-CG2 3.4Å; S76-T78 PolarHBondContact OG-OG1 2.93Å
79	S	89.7	Confident	86.6	Confident	25 Å²	25	60.2 Å²	60.2	18%	0.175	37%	0.367	C	S	.	.			trans	-68.5	132.1	172.5	57.6	0	0	0	0	109.6	L67 R81	L67-S79 WeakPolarHBondContact O-CB 2.91Å; S79-R81 PolarHBondContact O-N 3.02Å
80	F	90.3	Very high	86.7	Confident	89 Å²	89	60.4 Å²	60.4	39%	0.39	37%	0.369	S	S	.	.	S	Bend	trans	-69.8	-20.3	177.6	78.2	-94.6	0	0	0	112.3	L67 D69	L67-F80 HydrophobicContact CB-CD1 4.15Å; L67-F80 HydrophobicContact CB-CE1 3.35Å; L67-F80 HydrophobicContact CB-CE2 4.19Å; L67-F80 HydrophobicContact CB-CZ 3.37Å; L67-F80 HydrophobicContact CD1-CE2 4.4Å; L67-F80 HydrophobicContact CD1-CZ 3.92Å; L67-F80 HydrophobicContact CG-CZ 4.3Å; L67-F80 WeakPolarHBondContact O-CD1 3.48Å; L67-F80 PolarHBondContact O-N 2.93Å; D69-F80 HydrophobicContact CB-CD1 3.89Å; D69-F80 HydrophobicContact CB-CE1 4.11Å
81	R	91.9	Very high	87.2	Confident	110 Å²	110	60.1 Å²	60.1	42%	0.415	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	138.4	176.5	-173.4	167.9	-72.5	-109.4	-5.3	111.3	K66 L67 S79 L83 D118	K66-R81 WeakPolarHBondContact CA-O 3.21Å; L67-R81 HydrophobicContact CB-CB 4.32Å; L67-R81 HydrophobicContact CD1-CB 4.4Å; L67-R81 PolarHBondContact N-O 3.44Å; S79-R81 PolarHBondContact O-N 3.02Å; R81-L83 HydrophobicContact CG-CD2 4.22Å; R81-D118 WeakPolarHBondContact CD-O 3.17Å; R81-D118 VanDerWaalsContact CZ-O 3.3Å; R81-D118 PolarHBondContact NE-O 3.12Å; R81-D118 PolarHBondContact NH1-O 2.87Å
82	S	92.9	Very high	87.5	Confident	71 Å²	71	59.9 Å²	59.9	50%	0.497	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	129.6	171.2	-173.9	0	0	0	0	108.2
83	L	94.1	Very high	88	Confident	28 Å²	28	57.2 Å²	57.2	15%	0.147	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	155.5	-176	67.4	101.3	0	0	0	111	L65 L67 R81 P85 L115	L65-L83 HydrophobicContact CB-CD1 4.04Å; L65-L83 HydrophobicContact CB-CG 4.06Å; L65-L83 HydrophobicContact CD2-CD1 3.93Å; L65-L83 HydrophobicContact CD2-CD2 4.24Å; L65-L83 HydrophobicContact CD2-CG 4.22Å; L65-L83 PolarHBondContact N-O 3.38Å; L65-L83 PolarHBondContact O-N 3.07Å; L67-L83 HydrophobicContact CD1-CD2 4.26Å; R81-L83 HydrophobicContact CG-CD2 4.22Å; L83-P85 HydrophobicContact CD1-CB 3.66Å; L83-P85 VanDerWaalsContact CD1-CD 3.49Å; L83-P85 HydrophobicContact CD1-CG 3.73Å; L83-L115 HydrophobicContact CD1-CD1 3.66Å; L83-L115 HydrophobicContact CD2-CD1 4.35Å
84	T	94.1	Very high	88.5	Confident	80 Å²	80	56.6 Å²	56.6	49%	0.491	32%	0.318	S	S	.	.			trans	-118.3	84.7	177.2	48.6	0	0	0	0	108.5	C86	T84-C86 VanDerWaalsContact C-N 3.29Å; T84-C86 PolarHBondContact O-N 3.02Å
85	P	91	Very high	89.1	Confident	14 Å²	14	55.3 Å²	55.3	9%	0.091	31%	0.309	C	S	.	.	S	Bend	trans	-70.5	-29.6	-168	26.9	-28.4	0	0	0	112.2	L65 L83 M91 V105 K113 L115	L65-P85 HydrophobicContact CB-CG 4.31Å; L83-P85 HydrophobicContact CD1-CB 3.66Å; L83-P85 VanDerWaalsContact CD1-CD 3.49Å; L83-P85 HydrophobicContact CD1-CG 3.73Å; P85-M91 HydrophobicContact CG-CE 4.34Å; P85-M91 HydrophobicContact CG-SD 4Å; P85-V105 HydrophobicContact CG-CG1 3.86Å; P85-K113 HydrophobicContact CB-CD 4.47Å; P85-K113 WeakPolarHBondContact O-CD 3.24Å; P85-K113 WeakPolarHBondContact O-CE 3.41Å; P85-K113 PolarHBondContact O-NZ 3.43Å; P85-L115 HydrophobicContact CB-CD1 4.17Å; P85-L115 HydrophobicContact CB-CD2 4.46Å
86	C	89.6	Confident	89.7	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.007	28%	0.283	C	S	.	.	S	Bend	trans	-126.1	100.5	174.8	-61.8	0	0	0	0	108.4	T84 C88 H89 M91 S107	T84-C86 VanDerWaalsContact C-N 3.29Å; T84-C86 PolarHBondContact O-N 3.02Å; C86-C88 PolarHBondContact O-N 3.06Å; C86-H89 HydrophobicContact CB-CB 4.18Å; C86-H89 PolarHBondContact O-N 3.3Å; C86-M91 HydrophobicContact CB-CE 4.27Å; C86-S107 PolarHBondContact SG-OG 2.98Å
87	E	82.3	Confident	90.2	Very high	156 Å²	156	49.7 Å²	49.7	73%	0.729	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	129.9	176.3	-62.4	174.9	-178.9	0	0	109.5	H89	E87-H89 VanDerWaalsContact C-N 3.35Å; E87-H89 PolarHBondContact O-N 3.13Å
88	C	88.2	Confident	90.5	Very high	102 Å²	102	51.6 Å²	51.6	69%	0.689	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	4.5	177.4	-49.6	0	0	0	0	118.2	C86	C86-C88 PolarHBondContact O-N 3.06Å
89	H	92.5	Very high	90.7	Very high	64 Å²	64	49.7 Å²	49.7	30%	0.296	26%	0.26	S	S	.	.			trans	-113.2	131.6	178.3	-70.2	-75.8	0	0	0	112.8	Y63 C86 E87 M91 G108	Y63-H89 WeakPolarHBondContact CD1-O 3.27Å; C86-H89 HydrophobicContact CB-CB 4.18Å; C86-H89 PolarHBondContact O-N 3.3Å; E87-H89 VanDerWaalsContact C-N 3.35Å; E87-H89 PolarHBondContact O-N 3.13Å; H89-M91 WeakPolarHBondContact O-CE 3.42Å; H89-G108 PolarHBondContact ND1-O 2.96Å
90	V	91.4	Very high	90.7	Very high	37 Å²	37	48.5 Å²	48.5	22%	0.224	25%	0.252	C	S	.	.			trans	-62.9	138.6	176.1	176.3	0	0	0	0	109.9	F61 Y63 K92 S107 G108	F61-V90 HydrophobicContact CD1-CB 4.37Å; F61-V90 HydrophobicContact CD1-CG1 3.59Å; F61-V90 HydrophobicContact CD1-CG2 3.83Å; F61-V90 HydrophobicContact CD2-CG1 4.49Å; F61-V90 HydrophobicContact CE1-CG1 3.83Å; F61-V90 HydrophobicContact CE1-CG2 4.41Å; F61-V90 HydrophobicContact CG-CG1 3.94Å; F61-V90 HydrophobicContact CZ-CG1 4.39Å; Y63-V90 HydrophobicContact CD1-CG2 4.1Å; Y63-V90 HydrophobicContact CE1-CG2 3.68Å; V90-K92 PolarHBondContact O-N 3.38Å; V90-S107 CarbonylContact O-C 3.58Å; V90-S107 WeakPolarHBondContact O-CA 3.33Å; V90-G108 PolarHBondContact O-N 2.87Å
91	M	91.6	Very high	90.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	123	172.5	-60.4	-60.5	100.1	0	0	108.9	S45 P85 C86 H89 V105	S45-M91 WeakPolarHBondContact CB-O 3.34Å; S45-M91 PolarHBondContact OG-O 3.49Å; P85-M91 HydrophobicContact CG-CE 4.34Å; P85-M91 HydrophobicContact CG-SD 4Å; C86-M91 HydrophobicContact CB-CE 4.27Å; H89-M91 WeakPolarHBondContact O-CE 3.42Å; M91-V105 HydrophobicContact SD-CG1 3.56Å; M91-V105 VanDerWaalsContact SD-CG1 3.56Å
92	K	88.7	Confident	90.9	Very high	54 Å²	54	43.3 Å²	43.3	24%	0.235	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-32.6	178.8	-70.3	-175	177.8	178.2	0	112.7	V90 I106 L145 N146	V90-K92 PolarHBondContact O-N 3.38Å; K92-I106 PolarHBondContact N-O 2.76Å; K92-L145 WeakPolarHBondContact CD-O 3.13Å; K92-L145 WeakPolarHBondContact CE-O 3.38Å; K92-L145 PolarHBondContact NZ-O 2.92Å; K92-N146 WeakPolarHBondContact CB-O 3.33Å; K92-N146 PolarHBondContact NZ-OD1 2.88Å
93	S	89.3	Confident	91	Very high	9 Å²	9	40 Å²	40	6%	0.063	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	143.7	178.9	-163.8	0	0	0	0	110.7	I106 D147 K240	S93-I106 PolarHBondContact N-O 3.5Å; S93-I106 PolarHBondContact O-N 3.05Å; S93-D147 WeakPolarHBondContact CB-OD1 3.29Å; S93-D147 PolarHBondContact OG-OD1 2.91Å; S93-K240 PolarHBondContact OG-NZ 3.47Å
94	V	91.8	Very high	91.1	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.018	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	121.7	177.9	178.2	0	0	0	0	107.2	A46 L47 G48 A57 L65 I103 L104	A46-V94 HydrophobicContact CB-CB 4.24Å; A46-V94 HydrophobicContact CB-CG2 3.82Å; L47-V94 CarbonylContact C-O 3.11Å; L47-V94 VanDerWaalsContact O-O 3.13Å; G48-V94 VanDerWaalsContact CA-O 3.27Å; G48-V94 WeakPolarHBondContact CA-O 3.3Å; A57-V94 HydrophobicContact CB-CG1 3.74Å; L65-V94 HydrophobicContact CD1-CB 4.4Å; L65-V94 HydrophobicContact CD1-CG1 3.91Å; L65-V94 HydrophobicContact CD1-CG2 3.57Å; V94-I103 HydrophobicContact CG1-CG2 3.64Å; V94-L104 WeakPolarHBondContact CA-O 2.97Å
95	Q	92.1	Very high	91.2	Very high	65 Å²	65	34.9 Å²	34.9	30%	0.304	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	134.2	-179.7	-159.1	-167.4	24.3	0	0	111.6	I103 L104 C149 W150	Q95-I103 CarbonylContact O-C 3.55Å; Q95-I103 WeakPolarHBondContact O-CA 3.28Å; Q95-L104 PolarHBondContact N-O 2.79Å; Q95-L104 PolarHBondContact O-N 3.1Å; Q95-C149 PolarHBondContact OE1-SG 3.35Å; Q95-W150 PolarHBondContact O-NE1 3.1Å
96	F	92.3	Very high	91.3	Very high	12 Å²	12	34.2 Å²	34.2	5%	0.053	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	146	169.2	-71.2	-101.6	0	0	0	109.9	G48 L49 D50 A57 A102 I103	G48-F96 WeakPolarHBondContact O-CE2 3.44Å; L49-F96 VanDerWaalsContact C-CD2 3.44Å; L49-F96 WeakPolarHBondContact O-CD2 3.31Å; D50-F96 HydrophobicContact CB-CD1 4.1Å; D50-F96 HydrophobicContact CB-CE1 4.25Å; D50-F96 HydrophobicContact CB-CG 4.32Å; A57-F96 HydrophobicContact CB-CE2 3.78Å; A57-F96 HydrophobicContact CB-CZ 4.06Å; F96-A102 CarbonylContact C-O 3.4Å; F96-A102 WeakPolarHBondContact CA-O 3.35Å; F96-I103 HydrophobicContact CD1-CD1 4.23Å; F96-I103 HydrophobicContact CD1-CG1 3.68Å; F96-I103 HydrophobicContact CE1-CD1 3.49Å; F96-I103 VanDerWaalsContact CE1-CD1 3.49Å; F96-I103 HydrophobicContact CE1-CG1 3.47Å; F96-I103 VanDerWaalsContact CE1-CG1 3.47Å; F96-I103 HydrophobicContact CE2-CD1 4.39Å; F96-I103 HydrophobicContact CE2-CG1 4.43Å; F96-I103 HydrophobicContact CG-CG1 4.27Å; F96-I103 HydrophobicContact CZ-CD1 3.57Å; F96-I103 HydrophobicContact CZ-CG1 3.88Å
97	N	92.5	Very high	91.5	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.016	18%	0.177	C	C	.	.			trans	-69.4	166.8	167.7	71.5	-15.2	0	0	0	110.3	P51 T99 G100 E101 A102 W150	P51-N97 WeakPolarHBondContact CG-O 3.4Å; N97-T99 PolarHBondContact ND2-OG1 2.87Å; N97-T99 PolarHBondContact O-N 2.84Å; N97-T99 PolarHBondContact OD1-OG1 2.99Å; N97-G100 WeakPolarHBondContact O-CA 3.4Å; N97-G100 PolarHBondContact O-N 2.78Å; N97-G100 WeakPolarHBondContact OD1-CA 3.14Å; N97-G100 PolarHBondContact OD1-N 2.83Å; N97-E101 PolarHBondContact OD1-N 2.87Å; N97-A102 HydrophobicContact CB-CB 4.42Å; N97-A102 PolarHBondContact N-O 3.4Å; N97-A102 PolarHBondContact OD1-N 2.93Å; N97-A102 PolarHBondContact OD1-O 3.43Å; N97-W150 HydrophobicContact CB-CD2 3.59Å; N97-W150 HydrophobicContact CB-CE3 4Å; N97-W150 HydrophobicContact CB-CG 3.83Å; N97-W150 HydrophobicContact CB-CZ2 4.23Å
98	H	87.1	Confident	91.9	Very high	71 Å²	71	27 Å²	27	33%	0.329	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.8	-176.6	70.2	77.4	0	0	0	114.6	P51 P152 S153 D154 R155	P51-H98 VanDerWaalsContact CG-O 3.31Å; P51-H98 WeakPolarHBondContact CG-O 3.47Å; H98-P152 WeakPolarHBondContact CB-O 3.23Å; H98-S153 PolarHBondContact NE2-O 3.09Å; H98-S153 VanDerWaalsContact NE2-O 3.12Å; H98-D154 VanDerWaalsContact NE2-C 3.31Å; H98-R155 VanDerWaalsContact NE2-CA 3.31Å; H98-R155 WeakPolarHBondContact NE2-CA 3.44Å; H98-R155 WeakPolarHBondContact NE2-CB 3.5Å; H98-R155 PolarHBondContact NE2-N 2.92Å
99	T	90.6	Very high	92.2	Very high	49 Å²	49	25.7 Å²	25.7	30%	0.301	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-14.1	173.1	64.7	0	0	0	0	112.9	N97 E101 R155	N97-T99 PolarHBondContact ND2-OG1 2.87Å; N97-T99 PolarHBondContact O-N 2.84Å; N97-T99 PolarHBondContact OD1-OG1 2.99Å; T99-E101 PolarHBondContact O-N 2.48Å; T99-E101 WeakPolarHBondContact OG1-CG 3.44Å; T99-E101 PolarHBondContact OG1-N 3.33Å; T99-R155 HydrophobicContact CG2-CB 4.34Å
100	G	90.2	Very high	92.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	79.7	-10.6	-172.7	0	0	0	0	0	115.7	D50 N97 A102 R117	D50-G100 WeakPolarHBondContact OD1-CA 3.41Å; N97-G100 WeakPolarHBondContact O-CA 3.4Å; N97-G100 PolarHBondContact O-N 2.78Å; N97-G100 WeakPolarHBondContact OD1-CA 3.14Å; N97-G100 PolarHBondContact OD1-N 2.83Å; G100-A102 VanDerWaalsContact C-N 3.31Å; G100-A102 PolarHBondContact O-N 3.12Å; G100-R117 VanDerWaalsContact O-CD 3.23Å; G100-R117 WeakPolarHBondContact O-CD 3.45Å; G100-R117 WeakPolarHBondContact O-CG 3.45Å; G100-R117 PolarHBondContact O-NE 2.82Å
101	E	92.4	Very high	92.5	Very high	83 Å²	83	22.9 Å²	22.9	39%	0.388	11%	0.113	S	C	.	.	S	Bend	trans	-64.4	-29.2	-175.3	-67.4	175.2	-178.3	0	0	114.3	N97 T99 R117 R155	N97-E101 PolarHBondContact OD1-N 2.87Å; T99-E101 PolarHBondContact O-N 2.48Å; T99-E101 WeakPolarHBondContact OG1-CG 3.44Å; T99-E101 PolarHBondContact OG1-N 3.33Å; E101-R117 PolarHBondContact O-N 3.06Å; E101-R155 IonicContact OE1-NH1 2.75Å; E101-R155 IonicContact OE2-CZ 2.76Å; E101-R155 VanDerWaalsContact OE2-CZ 3.23Å; E101-R155 IonicContact OE2-NH1 3.65Å; E101-R155 PolarHBondContact OE2-NH1 3.25Å; E101-R155 IonicContact OE2-NH2 3.76Å; E101-R155 PolarHBondContact OE2-NH2 2.76Å
102	A	94	Very high	92.7	Very high	7 Å²	7	23 Å²	23	6%	0.058	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	145.6	-171.5	0	0	0	0	0	111.6	F96 N97 G100 V114 L115 L122 W150	F96-A102 CarbonylContact C-O 3.4Å; F96-A102 WeakPolarHBondContact CA-O 3.35Å; N97-A102 HydrophobicContact CB-CB 4.42Å; N97-A102 PolarHBondContact N-O 3.4Å; N97-A102 PolarHBondContact OD1-N 2.93Å; N97-A102 PolarHBondContact OD1-O 3.43Å; G100-A102 VanDerWaalsContact C-N 3.31Å; G100-A102 PolarHBondContact O-N 3.12Å; A102-V114 HydrophobicContact CB-CG1 3.73Å; A102-L115 CarbonylContact C-O 3.49Å; A102-L115 WeakPolarHBondContact CA-O 3.27Å; A102-L122 HydrophobicContact CB-CD1 4.49Å; A102-W150 HydrophobicContact CB-CH2 4.37Å; A102-W150 HydrophobicContact CB-CZ2 4.01Å
103	I	95.3	Very high	93	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	115.5	-179.3	-52.9	174.5	0	0	0	107.8	L67 V94 Q95 F96 V105 V114 L115	L67-I103 HydrophobicContact CD2-CD1 3.79Å; V94-I103 HydrophobicContact CG1-CG2 3.64Å; Q95-I103 CarbonylContact O-C 3.55Å; Q95-I103 WeakPolarHBondContact O-CA 3.28Å; F96-I103 HydrophobicContact CD1-CD1 4.23Å; F96-I103 HydrophobicContact CD1-CG1 3.68Å; F96-I103 HydrophobicContact CE1-CD1 3.49Å; F96-I103 VanDerWaalsContact CE1-CD1 3.49Å; F96-I103 HydrophobicContact CE1-CG1 3.47Å; F96-I103 VanDerWaalsContact CE1-CG1 3.47Å; F96-I103 HydrophobicContact CE2-CD1 4.39Å; F96-I103 HydrophobicContact CE2-CG1 4.43Å; F96-I103 HydrophobicContact CG-CG1 4.27Å; F96-I103 HydrophobicContact CZ-CD1 3.57Å; F96-I103 HydrophobicContact CZ-CG1 3.88Å; I103-V105 HydrophobicContact CG2-CG2 4.07Å; I103-V114 CarbonylContact O-C 3.53Å; I103-V114 VanDerWaalsContact O-CA 3.31Å; I103-V114 WeakPolarHBondContact O-CA 2.7Å; I103-L115 HydrophobicContact CB-CB 4.4Å; I103-L115 PolarHBondContact N-O 2.93Å; I103-L115 PolarHBondContact O-N 3.14Å
104	L	96	Very high	93.4	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	122.6	170.3	177.8	66.6	0	0	0	108.3	V94 Q95 I106 A112 V114 W150 F158	V94-L104 WeakPolarHBondContact CA-O 2.97Å; Q95-L104 PolarHBondContact N-O 2.79Å; Q95-L104 PolarHBondContact O-N 3.1Å; L104-I106 HydrophobicContact CD1-CD1 3.95Å; L104-I106 HydrophobicContact CD2-CD1 4.18Å; L104-I106 HydrophobicContact CD2-CG1 4.45Å; L104-I106 HydrophobicContact CG-CD1 3.9Å; L104-I106 HydrophobicContact CG-CG1 4.22Å; L104-A112 HydrophobicContact CD1-CB 4.07Å; L104-V114 HydrophobicContact CD1-CG2 3.95Å; L104-W150 HydrophobicContact CB-CZ2 4.15Å; L104-F158 HydrophobicContact CD1-CD2 3.75Å; L104-F158 HydrophobicContact CD1-CE2 3.88Å; L104-F158 HydrophobicContact CD1-CG 4.37Å; L104-F158 HydrophobicContact CD2-CB 4.16Å; L104-F158 HydrophobicContact CD2-CD2 4.02Å; L104-F158 HydrophobicContact CD2-CG 4.38Å
105	V	95.6	Very high	93.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	115.5	179.1	-178.4	0	0	0	0	108.7	L65 P85 M91 I103 K113 L115	L65-V105 HydrophobicContact CD2-CG2 3.88Å; P85-V105 HydrophobicContact CG-CG1 3.86Å; M91-V105 HydrophobicContact SD-CG1 3.56Å; M91-V105 VanDerWaalsContact SD-CG1 3.56Å; I103-V105 HydrophobicContact CG2-CG2 4.07Å; V105-K113 PolarHBondContact N-O 3.17Å; V105-K113 PolarHBondContact O-N 3.15Å; V105-L115 HydrophobicContact CG2-CD1 3.7Å; V105-L115 HydrophobicContact CG2-CG 3.9Å
106	I	94.7	Very high	93.7	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	123	174.7	-53	-59.9	0	0	0	108	K92 S93 L104 A112 L145 T160	K92-I106 PolarHBondContact N-O 2.76Å; S93-I106 PolarHBondContact N-O 3.5Å; S93-I106 PolarHBondContact O-N 3.05Å; L104-I106 HydrophobicContact CD1-CD1 3.95Å; L104-I106 HydrophobicContact CD2-CD1 4.18Å; L104-I106 HydrophobicContact CD2-CG1 4.45Å; L104-I106 HydrophobicContact CG-CD1 3.9Å; L104-I106 HydrophobicContact CG-CG1 4.22Å; I106-A112 HydrophobicContact CD1-CB 3.58Å; I106-L145 HydrophobicContact CD1-CD1 4.27Å; I106-L145 HydrophobicContact CG2-CB 3.53Å; I106-L145 HydrophobicContact CG2-CD1 4.27Å; I106-T160 HydrophobicContact CD1-CG2 3.75Å
107	S	93.3	Very high	93.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	173.8	176	65.4	0	0	0	0	109.2	C86 V90 R109	C86-S107 PolarHBondContact SG-OG 2.98Å; V90-S107 CarbonylContact O-C 3.58Å; V90-S107 WeakPolarHBondContact O-CA 3.33Å; S107-R109 PolarHBondContact O-N 3.15Å; S107-R109 VanDerWaalsContact OG-CB 3.31Å; S107-R109 WeakPolarHBondContact OG-CB 3.21Å; S107-R109 PolarHBondContact OG-N 2.5Å
108	G	90.1	Very high	93.5	Very high	5 Å²	5	26 Å²	26	5%	0.052	13%	0.127	C	C	.	.	S	Bend	trans	-61.7	6.7	168.4	0	0	0	0	0	115.4	H89 V90 Q144	H89-G108 PolarHBondContact ND1-O 2.96Å; V90-G108 PolarHBondContact O-N 2.87Å; G108-Q144 WeakPolarHBondContact O-CB 3.48Å; G108-Q144 WeakPolarHBondContact O-CG 3.49Å
109	R	94.5	Very high	93.7	Very high	75 Å²	75	23.2 Å²	23.2	28%	0.283	12%	0.118	S	C	.	.	S	Bend	trans	-80.8	155.2	171.9	-167.7	175.4	172.6	158.1	-10.5	110.3	S107 Q111 E124 L145	S107-R109 PolarHBondContact O-N 3.15Å; S107-R109 VanDerWaalsContact OG-CB 3.31Å; S107-R109 WeakPolarHBondContact OG-CB 3.21Å; S107-R109 PolarHBondContact OG-N 2.5Å; R109-Q111 HydrophobicContact CG-CB 4.37Å; R109-Q111 VanDerWaalsContact CZ-OE1 3.31Å; R109-Q111 PolarHBondContact O-N 2.87Å; R109-E124 IonicContact CZ-OE1 2.89Å; R109-E124 IonicContact NE-OE1 3.64Å; R109-E124 IonicContact NH1-OE1 2.98Å; R109-E124 IonicContact NH2-OE1 3.23Å; R109-E124 PolarHBondContact NH2-OE1 2.83Å; R109-L145 WeakPolarHBondContact O-CD1 3.44Å; R109-L145 WeakPolarHBondContact O-CG 3.04Å; R109-L145 PolarHBondContact O-N 3.16Å
110	A	94.5	Very high	93.8	Very high	16 Å²	16	28.8 Å²	28.8	13%	0.132	13%	0.133	C	C	.	.	S	Bend	trans	-74.7	0.9	173.3	0	0	0	0	0	114.5	H141 A143	A110-H141 WeakPolarHBondContact O-CB 3.45Å; A110-A143 WeakPolarHBondContact CA-O 3.22Å; A110-A143 WeakPolarHBondContact CB-O 3.49Å
111	Q	95.4	Very high	94	Very high	27 Å²	27	33.3 Å²	33.3	13%	0.126	16%	0.155	C	C	.	.	S	Bend	trans	-125.7	122	-176.4	-64.6	174.2	-83	0	0	108.7	R109 E124 C125 K127	R109-Q111 HydrophobicContact CG-CB 4.37Å; R109-Q111 VanDerWaalsContact CZ-OE1 3.31Å; R109-Q111 PolarHBondContact O-N 2.87Å; Q111-E124 HydrophobicContact CB-CG 4.16Å; Q111-C125 WeakPolarHBondContact CG-O 3.19Å; Q111-C125 PolarHBondContact NE2-O 3.15Å; Q111-K127 HydrophobicContact CG-CB 3.97Å; Q111-K127 HydrophobicContact CG-CG 4.49Å
112	A	96.3	Very high	94.1	Very high	2 Å²	2	32.2 Å²	32.2	2%	0.017	15%	0.151	C	C	.	.			trans	-78.1	141.4	173.4	0	0	0	0	0	109.5	L104 I106 C125 L145 T160	L104-A112 HydrophobicContact CD1-CB 4.07Å; I106-A112 HydrophobicContact CD1-CB 3.58Å; A112-C125 PolarHBondContact O-N 2.83Å; A112-C125 PolarHBondContact O-SG 2.8Å; A112-C125 VanDerWaalsContact O-SG 3.33Å; A112-L145 HydrophobicContact CB-CD1 3.81Å; A112-T160 HydrophobicContact CB-CG2 3.88Å
113	K	95.9	Very high	94.2	Very high	19 Å²	19	32 Å²	32	8%	0.083	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	143.6	173.6	-71.9	-168.6	171.9	-164.8	0	109.8	P85 V105 E121 L123 E124	P85-K113 HydrophobicContact CB-CD 4.47Å; P85-K113 WeakPolarHBondContact O-CD 3.24Å; P85-K113 WeakPolarHBondContact O-CE 3.41Å; P85-K113 PolarHBondContact O-NZ 3.43Å; V105-K113 PolarHBondContact N-O 3.17Å; V105-K113 PolarHBondContact O-N 3.15Å; K113-E121 WeakPolarHBondContact CE-OE2 3.5Å; K113-E121 IonicContact NZ-OE1 3.77Å; K113-E121 IonicContact NZ-OE2 2.69Å; K113-E121 PolarHBondContact NZ-OE2 3.42Å; K113-L123 CarbonylContact C-O 3.59Å; K113-L123 WeakPolarHBondContact CA-O 3.32Å; K113-E124 HydrophobicContact CG-CB 4.32Å; K113-E124 HydrophobicContact CG-CG 4.2Å
114	V	96.6	Very high	94.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	123.9	168.1	-178.8	0	0	0	0	107.9	A102 I103 L104 L122 L123 W150 F158 Y172	A102-V114 HydrophobicContact CB-CG1 3.73Å; I103-V114 CarbonylContact O-C 3.53Å; I103-V114 VanDerWaalsContact O-CA 3.31Å; I103-V114 WeakPolarHBondContact O-CA 2.7Å; L104-V114 HydrophobicContact CD1-CG2 3.95Å; V114-L122 HydrophobicContact CG1-CD1 4.48Å; V114-L122 WeakPolarHBondContact O-CB 3.3Å; V114-L122 PolarHBondContact O-N 3.25Å; V114-L123 HydrophobicContact CB-CB 4.13Å; V114-L123 HydrophobicContact CB-CD2 4.48Å; V114-L123 HydrophobicContact CG2-CD2 4Å; V114-L123 PolarHBondContact N-O 3.49Å; V114-L123 PolarHBondContact O-N 2.79Å; V114-W150 HydrophobicContact CG1-CH2 4.11Å; V114-W150 HydrophobicContact CG1-CZ2 3.76Å; V114-W150 HydrophobicContact CG2-CH2 4.21Å; V114-W150 HydrophobicContact CG2-CZ2 4.02Å; V114-F158 HydrophobicContact CG2-CE1 4.28Å; V114-F158 HydrophobicContact CG2-CZ 4.29Å; V114-Y172 HydrophobicContact CG1-CE2 4.46Å
115	L	95.9	Very high	94.2	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.016	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	155.7	176.5	-52.5	-178.6	0	0	0	110.1	L65 L83 P85 A102 I103 V105 R120 E121	L65-L115 HydrophobicContact CD2-CD1 3.51Å; L83-L115 HydrophobicContact CD1-CD1 3.66Å; L83-L115 HydrophobicContact CD2-CD1 4.35Å; P85-L115 HydrophobicContact CB-CD1 4.17Å; P85-L115 HydrophobicContact CB-CD2 4.46Å; A102-L115 CarbonylContact C-O 3.49Å; A102-L115 WeakPolarHBondContact CA-O 3.27Å; I103-L115 HydrophobicContact CB-CB 4.4Å; I103-L115 PolarHBondContact N-O 2.93Å; I103-L115 PolarHBondContact O-N 3.14Å; V105-L115 HydrophobicContact CG2-CD1 3.7Å; V105-L115 HydrophobicContact CG2-CG 3.9Å; L115-R120 CarbonylContact C-O 3.51Å; L115-R120 VanDerWaalsContact CA-O 3.22Å; L115-R120 WeakPolarHBondContact CA-O 3.1Å; L115-E121 HydrophobicContact CD2-CB 4.1Å; L115-E121 HydrophobicContact CD2-CG 4.39Å
116	D	94.1	Very high	94.3	Very high	47 Å²	47	35.8 Å²	35.8	25%	0.251	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	167.2	165.8	-165.6	3.3	0	0	0	110.3	D118 G119 R120 L122	D116-D118 PolarHBondContact O-N 3.14Å; D116-D118 VanDerWaalsContact O-N 3.08Å; D116-G119 PolarHBondContact O-N 2.85Å; D116-R120 HydrophobicContact CB-CB 4.17Å; D116-R120 PolarHBondContact N-O 3.07Å; D116-L122 HydrophobicContact CB-CD1 4.03Å; D116-L122 HydrophobicContact CB-CD2 4.12Å; D116-L122 HydrophobicContact CB-CG 4.02Å
117	R	89.9	Confident	94.3	Very high	75 Å²	75	41.1 Å²	41.1	28%	0.283	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-29.6	171.4	-83.6	-177	147.3	-176.7	-1	114.2	D50 G100 E101 G119	D50-R117 IonicContact OD1-CZ 2.68Å; D50-R117 IonicContact OD1-NE 2.83Å; D50-R117 IonicContact OD1-NH2 3.56Å; D50-R117 PolarHBondContact OD1-NH2 2.87Å; D50-R117 IonicContact OD2-CZ 3.78Å; D50-R117 IonicContact OD2-NH2 3.8Å; D50-R117 PolarHBondContact OD2-NH2 3.44Å; G100-R117 VanDerWaalsContact O-CD 3.23Å; G100-R117 WeakPolarHBondContact O-CD 3.45Å; G100-R117 WeakPolarHBondContact O-CG 3.45Å; G100-R117 PolarHBondContact O-NE 2.82Å; E101-R117 PolarHBondContact O-N 3.06Å; R117-G119 VanDerWaalsContact C-N 3.35Å
118	D	91	Very high	94.4	Very high	64 Å²	64	41.3 Å²	41.3	34%	0.342	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	9.4	178.3	-64.4	-26	0	0	0	113	R55 R81 D116 R120	R55-D118 IonicContact NH1-OD1 3.04Å; R81-D118 WeakPolarHBondContact CD-O 3.17Å; R81-D118 VanDerWaalsContact CZ-O 3.3Å; R81-D118 PolarHBondContact NE-O 3.12Å; R81-D118 PolarHBondContact NH1-O 2.87Å; D116-D118 PolarHBondContact O-N 3.14Å; D116-D118 VanDerWaalsContact O-N 3.08Å; D118-R120 PolarHBondContact O-N 2.59Å
119	G	91.1	Very high	94.6	Very high	13 Å²	13	44.8 Å²	44.8	13%	0.134	21%	0.211	C	C	.	.	S	Bend	trans	76.7	16.2	177.3	0	0	0	0	0	115	D116 R117	D116-G119 PolarHBondContact O-N 2.85Å; R117-G119 VanDerWaalsContact C-N 3.35Å
120	R	93.9	Very high	94.6	Very high	166 Å²	166	46.1 Å²	46.1	63%	0.626	22%	0.221	S	C	*	.			trans	-80.6	138.7	173.1	-67.4	179.4	177.1	162.2	1.2	110.2	L115 D116 D118 L122	L115-R120 CarbonylContact C-O 3.51Å; L115-R120 VanDerWaalsContact CA-O 3.22Å; L115-R120 WeakPolarHBondContact CA-O 3.1Å; D116-R120 HydrophobicContact CB-CB 4.17Å; D116-R120 PolarHBondContact N-O 3.07Å; D118-R120 PolarHBondContact O-N 2.59Å; R120-L122 PolarHBondContact O-N 3.08Å
121	E	94.5	Very high	94.6	Very high	96 Å²	96	54.2 Å²	54.2	45%	0.449	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	119.4	178	-170	176.7	147	0	0	111.5	K113 L115	K113-E121 WeakPolarHBondContact CE-OE2 3.5Å; K113-E121 IonicContact NZ-OE1 3.77Å; K113-E121 IonicContact NZ-OE2 2.69Å; K113-E121 PolarHBondContact NZ-OE2 3.42Å; L115-E121 HydrophobicContact CD2-CB 4.1Å; L115-E121 HydrophobicContact CD2-CG 4.39Å
122	L	94.3	Very high	94.5	Very high	59 Å²	59	55.5 Å²	55.5	31%	0.309	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-44.9	176.2	-63.8	176.5	0	0	0	110.9	A102 V114 D116 R120 Y172 K176	A102-L122 HydrophobicContact CB-CD1 4.49Å; V114-L122 HydrophobicContact CG1-CD1 4.48Å; V114-L122 WeakPolarHBondContact O-CB 3.3Å; V114-L122 PolarHBondContact O-N 3.25Å; D116-L122 HydrophobicContact CB-CD1 4.03Å; D116-L122 HydrophobicContact CB-CD2 4.12Å; D116-L122 HydrophobicContact CB-CG 4.02Å; R120-L122 PolarHBondContact O-N 3.08Å; L122-Y172 HydrophobicContact CB-CE2 4.41Å; L122-K176 PolarHBondContact O-NZ 3.49Å
123	L	94.6	Very high	94.3	Very high	3 Å²	3	62.1 Å²	62.1	2%	0.016	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	138.8	-170.3	166.8	71.5	0	0	0	110.5	K113 V114 F158 Y172 A175 K176	K113-L123 CarbonylContact C-O 3.59Å; K113-L123 WeakPolarHBondContact CA-O 3.32Å; V114-L123 HydrophobicContact CB-CB 4.13Å; V114-L123 HydrophobicContact CB-CD2 4.48Å; V114-L123 HydrophobicContact CG2-CD2 4Å; V114-L123 PolarHBondContact N-O 3.49Å; V114-L123 PolarHBondContact O-N 2.79Å; L123-F158 HydrophobicContact CD2-CE1 4.05Å; L123-F158 HydrophobicContact CD2-CZ 4.07Å; L123-Y172 HydrophobicContact CB-CE2 4.2Å; L123-Y172 HydrophobicContact CD2-CD2 3.84Å; L123-Y172 HydrophobicContact CD2-CE2 4.27Å; L123-A175 HydrophobicContact CD1-CB 3.89Å; L123-A175 HydrophobicContact CD2-CB 3.66Å; L123-A175 HydrophobicContact CG-CB 4.28Å; L123-K176 HydrophobicContact CD1-CB 4.4Å; L123-K176 HydrophobicContact CD1-CD 4.1Å; L123-K176 HydrophobicContact CD1-CG 3.26Å
124	E	95.6	Very high	94.1	Very high	51 Å²	51	64 Å²	64	24%	0.238	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	129.2	163.6	-179.1	176	-152.4	0	0	107.6	R109 Q111 K113	R109-E124 IonicContact CZ-OE1 2.89Å; R109-E124 IonicContact NE-OE1 3.64Å; R109-E124 IonicContact NH1-OE1 2.98Å; R109-E124 IonicContact NH2-OE1 3.23Å; R109-E124 PolarHBondContact NH2-OE1 2.83Å; Q111-E124 HydrophobicContact CB-CG 4.16Å; K113-E124 HydrophobicContact CG-CB 4.32Å; K113-E124 HydrophobicContact CG-CG 4.2Å
125	C	96.6	Very high	93.9	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.007	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-68.9	148.4	179.5	-62	0	0	0	0	111.1	Q111 A112 W170	Q111-C125 WeakPolarHBondContact CG-O 3.19Å; Q111-C125 PolarHBondContact NE2-O 3.15Å; A112-C125 PolarHBondContact O-N 2.83Å; A112-C125 PolarHBondContact O-SG 2.8Å; A112-C125 VanDerWaalsContact O-SG 3.33Å; C125-W170 HydrophobicContact CB-CE3 4.26Å; C125-W170 HydrophobicContact CB-CH2 3.84Å; C125-W170 HydrophobicContact CB-CZ2 4.15Å; C125-W170 HydrophobicContact CB-CZ3 3.92Å
126	V	96.7	Very high	93.7	Very high	30 Å²	30	68.9 Å²	68.9	18%	0.182	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-61.9	140.3	176.2	71.7	0	0	0	0	111.2	K139 G140 W170 A175	V126-K139 HydrophobicContact CG1-CB 3.78Å; V126-K139 VanDerWaalsContact CG1-O 3.3Å; V126-K139 WeakPolarHBondContact CG1-O 3.16Å; V126-K139 HydrophobicContact CG2-CB 4.33Å; V126-G140 WeakPolarHBondContact O-CA 3.39Å; V126-W170 HydrophobicContact CG1-CH2 4.11Å; V126-W170 HydrophobicContact CG1-CZ3 4.04Å; V126-A175 PolarHBondContact N-O 2.79Å
127	K	95.6	Very high	93.6	Very high	111 Å²	111	75.9 Å²	75.9	48%	0.483	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-75.9	138	171.1	-169.8	178.2	173.7	-178.8	0	110	Q111	Q111-K127 HydrophobicContact CG-CB 3.97Å; Q111-K127 HydrophobicContact CG-CG 4.49Å
128	G	94.8	Very high	93.9	Very high	5 Å²	5	72.3 Å²	72.3	5%	0.052	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-72.8	152	170.7	0	0	0	0	0	112.5	Q130 G140 H141	G128-Q130 PolarHBondContact O-N 3.11Å; G128-G140 WeakPolarHBondContact CA-O 3.47Å; G128-H141 WeakPolarHBondContact CA-O 3.25Å; G128-H141 PolarHBondContact N-O 3.43Å
129	D	95.2	Very high	94	Very high	77 Å²	77	75.5 Å²	75.5	41%	0.412	35%	0.353	S	S	.	.			trans	-74.6	113.3	168.1	-174.2	-10.5	0	0	0	109.4	Y131 I132 T138 T142	D129-Y131 PolarHBondContact O-N 3.38Å; D129-Y131 WeakPolarHBondContact OD1-CD2 3.44Å; D129-Y131 PolarHBondContact OD1-N 2.96Å; D129-I132 HydrophobicContact CB-CD1 3.74Å; D129-I132 HydrophobicContact CB-CG1 3.92Å; D129-I132 PolarHBondContact O-N 2.94Å; D129-T138 WeakPolarHBondContact O-CG2 3.29Å; D129-T142 VanDerWaalsContact O-CG2 3.25Å; D129-T142 WeakPolarHBondContact O-CG2 3.01Å
130	Q	94.1	Very high	94.3	Very high	103 Å²	103	74.9 Å²	74.9	48%	0.481	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-13.2	-176.4	68.8	-171.5	9.7	0	0	113.9	G128	G128-Q130 PolarHBondContact O-N 3.11Å
131	Y	94.5	Very high	94.4	Very high	187 Å²	187	67 Å²	67	73%	0.733	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-7.4	-178	-57	-68.4	0	0	0	113.4	D129	D129-Y131 PolarHBondContact O-N 3.38Å; D129-Y131 WeakPolarHBondContact OD1-CD2 3.44Å; D129-Y131 PolarHBondContact OD1-N 2.96Å
132	I	92.9	Very high	94.5	Very high	54 Å²	54	63.6 Å²	63.6	28%	0.277	30%	0.303	S	S	.	.			trans	-85.2	121.7	175.8	-61.3	178.2	0	0	0	109.4	D129 D134 R137 T138	D129-I132 HydrophobicContact CB-CD1 3.74Å; D129-I132 HydrophobicContact CB-CG1 3.92Å; D129-I132 PolarHBondContact O-N 2.94Å; I132-D134 WeakPolarHBondContact CG2-O 3.09Å; I132-R137 HydrophobicContact CG2-CB 3.86Å; I132-T138 HydrophobicContact CB-CG2 3.72Å; I132-T138 HydrophobicContact CD1-CG2 4.48Å; I132-T138 HydrophobicContact CG2-CG2 3.97Å
133	V	91.6	Very high	94.5	Very high	141 Å²	141	62.3 Å²	62.3	86%	0.855	30%	0.301	S	S	*	.	S	Bend	trans	-69.4	-39.1	-179.8	-179.2	0	0	0	0	112.2	M135	V133-M135 PolarHBondContact O-N 3.49Å
134	D	92.1	Very high	94.5	Very high	57 Å²	57	66.7 Å²	66.7	31%	0.305	32%	0.321	S	S	.	.			trans	-83.8	107.1	179.9	-176.6	12.5	0	0	0	111.6	I132 N136 R137 K184	I132-D134 WeakPolarHBondContact CG2-O 3.09Å; D134-N136 PolarHBondContact O-N 2.86Å; D134-N136 PolarHBondContact OD1-N 3.04Å; D134-N136 VanDerWaalsContact OD1-N 3.12Å; D134-R137 HydrophobicContact CB-CG 4.33Å; D134-R137 PolarHBondContact O-N 2.97Å; D134-R137 IonicContact OD2-NE 2.82Å; D134-K184 IonicContact OD1-NZ 2.77Å; D134-K184 PolarHBondContact OD1-NZ 2.86Å
135	M	92.7	Very high	94.5	Very high	18 Å²	18	64.3 Å²	64.3	9%	0.089	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-15.5	179.8	-61.7	-62.6	167.3	0	0	114.8	V133 R137 T138 T142 D164 T166 R168	V133-M135 PolarHBondContact O-N 3.49Å; M135-R137 VanDerWaalsContact C-N 3.29Å; M135-T138 PolarHBondContact O-OG1 3.28Å; M135-T142 HydrophobicContact SD-CG2 4.39Å; M135-D164 HydrophobicContact CE-CB 4.02Å; M135-D164 HydrophobicContact SD-CB 4.13Å; M135-T166 HydrophobicContact CB-CG2 3.63Å; M135-T166 HydrophobicContact CG-CG2 3.75Å; M135-T166 HydrophobicContact SD-CG2 4.5Å; M135-R168 PolarHBondContact O-NH2 2.84Å
136	N	91.1	Very high	94.2	Very high	88 Å²	88	65.4 Å²	65.4	47%	0.471	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-24.6	172.6	-73.6	-8.1	0	0	0	112.4	D134 K184	D134-N136 PolarHBondContact O-N 2.86Å; D134-N136 PolarHBondContact OD1-N 3.04Å; D134-N136 VanDerWaalsContact OD1-N 3.12Å; N136-K184 PolarHBondContact ND2-NZ 2.81Å; N136-K184 VanDerWaalsContact ND2-NZ 3.13Å; N136-K184 WeakPolarHBondContact OD1-CE 3.27Å; N136-K184 PolarHBondContact OD1-NZ 2.86Å
137	R	93.2	Very high	93.9	Very high	194 Å²	194	64.2 Å²	64.2	73%	0.732	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-16.4	-177.4	-65.6	-177.6	-177.2	-159	-2.5	112.8	I132 D134 M135	I132-R137 HydrophobicContact CG2-CB 3.86Å; D134-R137 HydrophobicContact CB-CG 4.33Å; D134-R137 PolarHBondContact O-N 2.97Å; D134-R137 IonicContact OD2-NE 2.82Å; M135-R137 VanDerWaalsContact C-N 3.29Å
138	T	95.1	Very high	93.8	Very high	1 Å²	1	59 Å²	59	1%	0.006	29%	0.286	C	S	.	.	S	Bend	trans	-77.9	132	174.9	55.8	0	0	0	0	110.7	D129 I132 M135 G140 T142 R168 H179	D129-T138 WeakPolarHBondContact O-CG2 3.29Å; I132-T138 HydrophobicContact CB-CG2 3.72Å; I132-T138 HydrophobicContact CD1-CG2 4.48Å; I132-T138 HydrophobicContact CG2-CG2 3.97Å; M135-T138 PolarHBondContact O-OG1 3.28Å; T138-G140 VanDerWaalsContact C-N 3.33Å; T138-G140 PolarHBondContact O-N 2.92Å; T138-T142 HydrophobicContact CG2-CG2 3.85Å; T138-R168 PolarHBondContact OG1-NH2 3.44Å; T138-H179 PolarHBondContact O-CE1 2.78Å; T138-H179 PolarHBondContact O-ND1 3.19Å
139	K	94.7	Very high	93.7	Very high	130 Å²	130	59.4 Å²	59.4	57%	0.565	29%	0.288	S	S	*	.	S	Bend	trans	-71.3	-24.5	-176.5	-64.6	176.8	179.9	176.8	0	114.2	V126 K177 H179	V126-K139 HydrophobicContact CG1-CB 3.78Å; V126-K139 VanDerWaalsContact CG1-O 3.3Å; V126-K139 WeakPolarHBondContact CG1-O 3.16Å; V126-K139 HydrophobicContact CG2-CB 4.33Å; K139-K177 WeakPolarHBondContact CD-O 3.48Å; K139-H179 PolarHBondContact O-N 3.33Å; K139-H179 VanDerWaalsContact O-N 3.13Å; K139-H179 PolarHBondContact O-ND1 2.78Å
140	G	95.6	Very high	93.6	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	-152.6	-166.7	179.6	0	0	0	0	0	112.2	V126 G128 T138 R168	V126-G140 WeakPolarHBondContact O-CA 3.39Å; G128-G140 WeakPolarHBondContact CA-O 3.47Å; T138-G140 VanDerWaalsContact C-N 3.33Å; T138-G140 PolarHBondContact O-N 2.92Å; G140-R168 VanDerWaalsContact C-NH1 3.31Å; G140-R168 PolarHBondContact O-NH1 3.47Å; G140-R168 PolarHBondContact O-NH2 2.69Å
141	H	96.9	Very high	93.6	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	25%	0.25	C	S	.	.			trans	-70	139	-178.8	-70.8	-79.3	0	0	0	113.2	A110 G128 L145 T160 A162 D164 T166 R168 W170	A110-H141 WeakPolarHBondContact O-CB 3.45Å; G128-H141 WeakPolarHBondContact CA-O 3.25Å; G128-H141 PolarHBondContact N-O 3.43Å; H141-L145 HydrophobicContact CB-CD2 4.06Å; H141-L145 WeakPolarHBondContact CD2-CD2 3.26Å; H141-T160 PolarHBondContact CD2-OG1 2.53Å; H141-T160 VanDerWaalsContact CD2-OG1 3.29Å; H141-T160 PolarHBondContact NE2-OG1 2.76Å; H141-A162 HydrophobicContact CB-CB 4.19Å; H141-A162 WeakPolarHBondContact ND1-CB 3.42Å; H141-D164 WeakPolarHBondContact CA-OD2 2.86Å; H141-D164 IonicContact CE1-OD1 3.55Å; H141-D164 IonicContact CG-OD2 3.91Å; H141-D164 IonicContact ND1-OD1 3.54Å; H141-D164 PolarHBondContact ND1-OD1 3.05Å; H141-D164 IonicContact ND1-OD2 2.66Å; H141-D164 PolarHBondContact ND1-OD2 2.78Å; H141-T166 PolarHBondContact CE1-OG1 3.07Å; H141-T166 VanDerWaalsContact CE1-OG1 3.28Å; H141-T166 PolarHBondContact ND1-OG1 2.89Å; H141-R168 PolarHBondContact CE1-NH1 2.89Å; H141-R168 PolarHBondContact ND1-NH1 2.83Å; H141-W170 AromaticContact CD2-CZ2 3.93Å
142	T	96.1	Very high	93.4	Very high	25 Å²	25	45.3 Å²	45.3	15%	0.153	23%	0.231	C	C	.	.	S	Bend	trans	-100.9	-13.5	-179.4	55.8	0	0	0	0	112.1	D129 M135 T138 D164	D129-T142 VanDerWaalsContact O-CG2 3.25Å; D129-T142 WeakPolarHBondContact O-CG2 3.01Å; M135-T142 HydrophobicContact SD-CG2 4.39Å; T138-T142 HydrophobicContact CG2-CG2 3.85Å; T142-D164 PolarHBondContact N-OD2 3.01Å; T142-D164 WeakPolarHBondContact OG1-CB 3.46Å
143	A	95.3	Very high	93.2	Very high	31 Å²	31	46.7 Å²	46.7	26%	0.256	25%	0.245	S	C	.	.	S	Bend	trans	-131.6	-178.9	179.4	0	0	0	0	0	111.7	A110 D163 D164	A110-A143 WeakPolarHBondContact CA-O 3.22Å; A110-A143 WeakPolarHBondContact CB-O 3.49Å; A143-D163 HydrophobicContact CB-CB 3.85Å; A143-D164 HydrophobicContact CB-CB 3.99Å
144	Q	94.9	Very high	93.3	Very high	96 Å²	96	42.5 Å²	42.5	45%	0.449	22%	0.218	S	C	.	.			trans	-63.6	138.3	-177.5	-55.6	-169.1	0.9	0	0	111.4	G108 A162 D163	G108-Q144 WeakPolarHBondContact O-CB 3.48Å; G108-Q144 WeakPolarHBondContact O-CG 3.49Å; Q144-A162 CarbonylContact O-C 3.55Å; Q144-A162 WeakPolarHBondContact O-CA 3.22Å; Q144-A162 WeakPolarHBondContact O-CB 3.04Å; Q144-D163 PolarHBondContact O-N 3.45Å
145	L	95.4	Very high	93.3	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	149.6	172.5	-60.8	166.9	0	0	0	110.1	K92 I106 R109 A112 H141 C161 A162	K92-L145 WeakPolarHBondContact CD-O 3.13Å; K92-L145 WeakPolarHBondContact CE-O 3.38Å; K92-L145 PolarHBondContact NZ-O 2.92Å; I106-L145 HydrophobicContact CD1-CD1 4.27Å; I106-L145 HydrophobicContact CG2-CB 3.53Å; I106-L145 HydrophobicContact CG2-CD1 4.27Å; R109-L145 WeakPolarHBondContact O-CD1 3.44Å; R109-L145 WeakPolarHBondContact O-CG 3.04Å; R109-L145 PolarHBondContact O-N 3.16Å; A112-L145 HydrophobicContact CB-CD1 3.81Å; H141-L145 HydrophobicContact CB-CD2 4.06Å; H141-L145 WeakPolarHBondContact CD2-CD2 3.26Å; L145-C161 CarbonylContact C-O 3.48Å; L145-C161 VanDerWaalsContact CA-O 3.32Å; L145-C161 WeakPolarHBondContact CA-O 3.49Å; L145-A162 HydrophobicContact CD2-CB 4.04Å
146	N	90.5	Very high	93.3	Very high	24 Å²	24	45.5 Å²	45.5	13%	0.128	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-44.8	176.6	-71.1	-32.1	0	0	0	111.7	K92 C161 D163 P195 T196	K92-N146 WeakPolarHBondContact CB-O 3.33Å; K92-N146 PolarHBondContact NZ-OD1 2.88Å; N146-C161 PolarHBondContact N-O 2.97Å; N146-D163 PolarHBondContact ND2-OD1 3.27Å; N146-D163 PolarHBondContact OD1-OD1 3.31Å; N146-P195 PolarHBondContact ND2-O 2.89Å; N146-T196 WeakPolarHBondContact CB-O 3.36Å
147	D	90.2	Very high	93.5	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	171.5	-178.5	-158.5	12.3	0	0	0	111.5	S93 T160 C161 A197 K240	S93-D147 WeakPolarHBondContact CB-OD1 3.29Å; S93-D147 PolarHBondContact OG-OD1 2.91Å; D147-T160 WeakPolarHBondContact O-CA 3.03Å; D147-C161 VanDerWaalsContact CB-SG 3.57Å; D147-C161 PolarHBondContact N-SG 2.66Å; D147-C161 PolarHBondContact O-N 2.83Å; D147-A197 HydrophobicContact CB-CB 4.45Å; D147-K240 VanDerWaalsContact CG-CE 3.47Å; D147-K240 WeakPolarHBondContact OD1-CE 3.34Å; D147-K240 IonicContact OD1-NZ 3.25Å; D147-K240 PolarHBondContact OD1-NZ 3.34Å; D147-K240 WeakPolarHBondContact OD2-CD 3.47Å; D147-K240 WeakPolarHBondContact OD2-CE 3.22Å; D147-K240 WeakPolarHBondContact OD2-CG 3.27Å; D147-K240 IonicContact OD2-NZ 3.68Å
148	G	92.3	Very high	93.6	Very high	2 Å²	2	32.2 Å²	32.2	2%	0.021	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	147.9	174.4	0	0	0	0	0	111.9	L159	G148-L159 CarbonylContact C-O 3.46Å; G148-L159 WeakPolarHBondContact CA-O 3.46Å
149	C	92.5	Very high	93.6	Very high	13 Å²	13	32.1 Å²	32.1	9%	0.088	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	137.3	-175.5	-174.4	0	0	0	0	111.7	Q95 F158 L159	Q95-C149 PolarHBondContact OE1-SG 3.35Å; C149-F158 CarbonylContact O-C 3.59Å; C149-F158 WeakPolarHBondContact O-CA 2.94Å; C149-L159 PolarHBondContact N-O 2.91Å; C149-L159 PolarHBondContact O-N 3.35Å
150	W	94.1	Very high	93.7	Very high	8 Å²	8	26 Å²	26	3%	0.03	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	150	168.1	-74.5	101.1	0	0	0	111.8	Q95 N97 A102 L104 V114 R155 F158 Y200	Q95-W150 PolarHBondContact O-NE1 3.1Å; N97-W150 HydrophobicContact CB-CD2 3.59Å; N97-W150 HydrophobicContact CB-CE3 4Å; N97-W150 HydrophobicContact CB-CG 3.83Å; N97-W150 HydrophobicContact CB-CZ2 4.23Å; A102-W150 HydrophobicContact CB-CH2 4.37Å; A102-W150 HydrophobicContact CB-CZ2 4.01Å; L104-W150 HydrophobicContact CB-CZ2 4.15Å; V114-W150 HydrophobicContact CG1-CH2 4.11Å; V114-W150 HydrophobicContact CG1-CZ2 3.76Å; V114-W150 HydrophobicContact CG2-CH2 4.21Å; V114-W150 HydrophobicContact CG2-CZ2 4.02Å; W150-R155 WeakPolarHBondContact CZ3-O 3.45Å; W150-F158 HydrophobicContact CD2-CB 4.03Å; W150-F158 HydrophobicContact CE3-CB 3.8Å; W150-F158 HydrophobicContact CE3-CD1 4.27Å; W150-F158 HydrophobicContact CE3-CG 4.46Å; W150-F158 AromaticContact CH2-CD1 3.89Å; W150-F158 HydrophobicContact CH2-CD1 3.89Å; W150-F158 HydrophobicContact CH2-CE1 4.48Å; W150-F158 HydrophobicContact CZ3-CB 4.14Å; W150-F158 AromaticContact CZ3-CD1 3.72Å; W150-F158 HydrophobicContact CZ3-CD1 3.72Å; W150-F158 HydrophobicContact CZ3-CG 4.32Å; W150-Y200 WeakPolarHBondContact O-CD2 3.38Å
151	H	93.5	Very high	93.7	Very high	15 Å²	15	26 Å²	26	7%	0.069	14%	0.142	C	C	.	.			trans	-66.2	136.5	167.3	-172.2	-102.6	0	0	0	109.9	S153 D154 E157 Y200 G204	H151-S153 VanDerWaalsContact C-N 3.25Å; H151-S153 PolarHBondContact CE1-OG 3.3Å; H151-S153 PolarHBondContact ND1-N 3.46Å; H151-S153 PolarHBondContact ND1-OG 3.49Å; H151-S153 PolarHBondContact O-N 3.21Å; H151-D154 HydrophobicContact CB-CB 4.06Å; H151-D154 WeakPolarHBondContact ND1-CB 3.5Å; H151-D154 PolarHBondContact ND1-N 2.79Å; H151-E157 HydrophobicContact CB-CB 4.06Å; H151-E157 WeakPolarHBondContact CB-O 3.4Å; H151-E157 PolarHBondContact N-O 3.25Å; H151-Y200 HydrophobicContact CB-CD2 4.31Å; H151-Y200 HydrophobicContact CB-CE2 3.92Å; H151-Y200 AromaticContact CD2-CD1 3.69Å; H151-Y200 AromaticContact CD2-CE1 3.52Å; H151-Y200 AromaticContact CD2-CZ 3.81Å; H151-G204 WeakPolarHBondContact NE2-CA 3.28Å; H151-G204 PolarHBondContact NE2-O 3.3Å
152	P	89.6	Confident	93.6	Very high	49 Å²	49	25.9 Å²	25.9	32%	0.318	14%	0.142	S	C	.	.	S	Bend	trans	-66.1	-24	-172.7	26.1	-37.8	0	0	0	114.1	H98 S201 R202	H98-P152 WeakPolarHBondContact CB-O 3.23Å; P152-S201 WeakPolarHBondContact CG-O 3.49Å; P152-R202 WeakPolarHBondContact CG-O 3.34Å
153	S	90	Very high	93.5	Very high	83 Å²	83	27.9 Å²	27.9	58%	0.58	15%	0.152	S	C	*	.	S	Bend	trans	-121.6	-18.4	-178.1	58.7	0	0	0	0	114.4	H98 H151	H98-S153 PolarHBondContact NE2-O 3.09Å; H98-S153 VanDerWaalsContact NE2-O 3.12Å; H151-S153 VanDerWaalsContact C-N 3.25Å; H151-S153 PolarHBondContact CE1-OG 3.3Å; H151-S153 PolarHBondContact ND1-N 3.46Å; H151-S153 PolarHBondContact ND1-OG 3.49Å; H151-S153 PolarHBondContact O-N 3.21Å
154	D	92.5	Very high	93.5	Very high	53 Å²	53	26.6 Å²	26.6	28%	0.283	14%	0.14	S	C	.	.			trans	-103.6	120.7	-178.9	-171.5	-9.4	0	0	0	108.3	H98 H151 N156 E157	H98-D154 VanDerWaalsContact NE2-C 3.31Å; H151-D154 HydrophobicContact CB-CB 4.06Å; H151-D154 WeakPolarHBondContact ND1-CB 3.5Å; H151-D154 PolarHBondContact ND1-N 2.79Å; D154-N156 PolarHBondContact O-N 3.28Å; D154-N156 PolarHBondContact OD1-N 3.04Å; D154-E157 HydrophobicContact CB-CB 4.23Å
155	R	92.3	Very high	93.4	Very high	105 Å²	105	22.1 Å²	22.1	40%	0.396	12%	0.121	S	C	.	.	S	Bend	trans	-74.8	-15.9	-177.5	56	171.8	-78.6	149.6	8	112.5	H98 T99 E101 W150	H98-R155 VanDerWaalsContact NE2-CA 3.31Å; H98-R155 WeakPolarHBondContact NE2-CA 3.44Å; H98-R155 WeakPolarHBondContact NE2-CB 3.5Å; H98-R155 PolarHBondContact NE2-N 2.92Å; T99-R155 HydrophobicContact CG2-CB 4.34Å; E101-R155 IonicContact OE1-NH1 2.75Å; E101-R155 IonicContact OE2-CZ 2.76Å; E101-R155 VanDerWaalsContact OE2-CZ 3.23Å; E101-R155 IonicContact OE2-NH1 3.65Å; E101-R155 PolarHBondContact OE2-NH1 3.25Å; E101-R155 IonicContact OE2-NH2 3.76Å; E101-R155 PolarHBondContact OE2-NH2 2.76Å; W150-R155 WeakPolarHBondContact CZ3-O 3.45Å
156	N	93.4	Very high	93.4	Very high	32 Å²	32	22.1 Å²	22.1	17%	0.171	12%	0.121	C	C	.	.	S	Bend	trans	-102.9	-15.2	-172.5	-58.4	-38.7	0	0	0	112.2	D154 D171 Y172 Y173	D154-N156 PolarHBondContact O-N 3.28Å; D154-N156 PolarHBondContact OD1-N 3.04Å; N156-D171 CarbonylContact O-C 3.43Å; N156-D171 WeakPolarHBondContact O-CA 2.91Å; N156-Y172 VanDerWaalsContact O-CB 3.31Å; N156-Y172 WeakPolarHBondContact O-CB 2.86Å; N156-Y172 PolarHBondContact O-N 2.97Å; N156-Y173 HydrophobicContact CB-CE2 4.38Å
157	E	95.4	Very high	93.6	Very high	3 Å²	3	21 Å²	21	1%	0.014	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	134.9	-175.3	-163	179.8	125.9	0	0	112.2	H151 D154 L169 W170 K180 Y200 H221	H151-E157 HydrophobicContact CB-CB 4.06Å; H151-E157 WeakPolarHBondContact CB-O 3.4Å; H151-E157 PolarHBondContact N-O 3.25Å; D154-E157 HydrophobicContact CB-CB 4.23Å; E157-L169 WeakPolarHBondContact OE1-CD2 3.41Å; E157-W170 VanDerWaalsContact CA-O 3.3Å; E157-W170 WeakPolarHBondContact CA-O 3.4Å; E157-W170 WeakPolarHBondContact CG-O 2.79Å; E157-K180 IonicContact OE2-NZ 2.77Å; E157-K180 PolarHBondContact OE2-NZ 3.5Å; E157-Y200 PolarHBondContact OE1-OH 2.9Å; E157-H221 IonicContact OE1-CD2 3.95Å; E157-H221 IonicContact OE1-CE1 3.82Å; E157-H221 IonicContact OE1-NE2 2.88Å; E157-H221 PolarHBondContact OE1-NE2 2.87Å; E157-H221 IonicContact OE2-CE1 3.78Å; E157-H221 IonicContact OE2-NE2 2.83Å
158	F	96.1	Very high	93.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	156.4	173.1	61.1	-84.9	0	0	0	111.9	L104 V114 L123 C149 W150 T160 W170 A175	L104-F158 HydrophobicContact CD1-CD2 3.75Å; L104-F158 HydrophobicContact CD1-CE2 3.88Å; L104-F158 HydrophobicContact CD1-CG 4.37Å; L104-F158 HydrophobicContact CD2-CB 4.16Å; L104-F158 HydrophobicContact CD2-CD2 4.02Å; L104-F158 HydrophobicContact CD2-CG 4.38Å; V114-F158 HydrophobicContact CG2-CE1 4.28Å; V114-F158 HydrophobicContact CG2-CZ 4.29Å; L123-F158 HydrophobicContact CD2-CE1 4.05Å; L123-F158 HydrophobicContact CD2-CZ 4.07Å; C149-F158 CarbonylContact O-C 3.59Å; C149-F158 WeakPolarHBondContact O-CA 2.94Å; W150-F158 HydrophobicContact CD2-CB 4.03Å; W150-F158 HydrophobicContact CE3-CB 3.8Å; W150-F158 HydrophobicContact CE3-CD1 4.27Å; W150-F158 HydrophobicContact CE3-CG 4.46Å; W150-F158 AromaticContact CH2-CD1 3.89Å; W150-F158 HydrophobicContact CH2-CD1 3.89Å; W150-F158 HydrophobicContact CH2-CE1 4.48Å; W150-F158 HydrophobicContact CZ3-CB 4.14Å; W150-F158 AromaticContact CZ3-CD1 3.72Å; W150-F158 HydrophobicContact CZ3-CD1 3.72Å; W150-F158 HydrophobicContact CZ3-CG 4.32Å; F158-T160 HydrophobicContact CD2-CG2 4.07Å; F158-T160 HydrophobicContact CE2-CG2 4.16Å; F158-W170 HydrophobicContact CD1-CB 3.96Å; F158-W170 HydrophobicContact CD2-CB 3.76Å; F158-W170 AromaticContact CD2-CD1 3.82Å; F158-W170 HydrophobicContact CD2-CG 4.02Å; F158-W170 HydrophobicContact CE1-CB 3.57Å; F158-W170 HydrophobicContact CE1-CG 4.49Å; F158-W170 HydrophobicContact CE2-CB 3.35Å; F158-W170 AromaticContact CE2-CD1 3.51Å; F158-W170 HydrophobicContact CE2-CD2 4.34Å; F158-W170 AromaticContact CE2-CG 3.45Å; F158-W170 HydrophobicContact CE2-CG 3.45Å; F158-W170 VanDerWaalsContact CE2-CG 3.45Å; F158-W170 HydrophobicContact CG-CB 4.05Å; F158-W170 HydrophobicContact CZ-CB 3.25Å; F158-W170 HydrophobicContact CZ-CD2 4.48Å; F158-W170 AromaticContact CZ-CG 3.73Å; F158-W170 HydrophobicContact CZ-CG 3.73Å; F158-W170 PolarHBondContact N-O 3.01Å; F158-W170 PolarHBondContact O-N 3.36Å; F158-A175 HydrophobicContact CZ-CB 4.3Å
159	L	94.8	Very high	94.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	148.9	175.3	-73.2	166.9	0	0	0	110.8	G148 C149 V167 R168 L169 Y200 I207	G148-L159 CarbonylContact C-O 3.46Å; G148-L159 WeakPolarHBondContact CA-O 3.46Å; C149-L159 PolarHBondContact N-O 2.91Å; C149-L159 PolarHBondContact O-N 3.35Å; L159-V167 HydrophobicContact CD2-CG1 3.84Å; L159-R168 WeakPolarHBondContact CA-O 3.19Å; L159-L169 HydrophobicContact CD2-CB 4.34Å; L159-L169 HydrophobicContact CD2-CD1 3.35Å; L159-L169 HydrophobicContact CD2-CG 3.44Å; L159-L169 VanDerWaalsContact CD2-CG 3.44Å; L159-Y200 HydrophobicContact CB-CE2 4.11Å; L159-Y200 HydrophobicContact CD1-CD1 3.99Å; L159-Y200 HydrophobicContact CD1-CD2 3.45Å; L159-Y200 VanDerWaalsContact CD1-CD2 3.45Å; L159-Y200 HydrophobicContact CD1-CE1 3.77Å; L159-Y200 HydrophobicContact CD1-CE2 3.21Å; L159-Y200 HydrophobicContact CD1-CG 3.85Å; L159-Y200 HydrophobicContact CD2-CE2 4.45Å; L159-Y200 HydrophobicContact CG-CD2 4.04Å; L159-Y200 HydrophobicContact CG-CE1 4.19Å; L159-Y200 HydrophobicContact CG-CE2 3.29Å; L159-Y200 WeakPolarHBondContact CG-OH 3.33Å; L159-I207 HydrophobicContact CD1-CB 4.47Å; L159-I207 HydrophobicContact CD1-CD1 4.47Å; L159-I207 HydrophobicContact CD1-CG1 4.12Å; L159-I207 HydrophobicContact CD1-CG2 3.68Å; L159-I207 HydrophobicContact CD2-CD1 4.14Å; L159-I207 HydrophobicContact CD2-CG2 4.24Å
160	T	96.2	Very high	94.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	149.6	162.7	63.4	0	0	0	0	110.6	I106 A112 H141 D147 F158 V167 R168 W170	I106-T160 HydrophobicContact CD1-CG2 3.75Å; A112-T160 HydrophobicContact CB-CG2 3.88Å; H141-T160 PolarHBondContact CD2-OG1 2.53Å; H141-T160 VanDerWaalsContact CD2-OG1 3.29Å; H141-T160 PolarHBondContact NE2-OG1 2.76Å; D147-T160 WeakPolarHBondContact O-CA 3.03Å; F158-T160 HydrophobicContact CD2-CG2 4.07Å; F158-T160 HydrophobicContact CE2-CG2 4.16Å; T160-V167 CarbonylContact O-C 3.48Å; T160-V167 WeakPolarHBondContact O-CA 2.98Å; T160-R168 PolarHBondContact N-O 3.02Å; T160-R168 PolarHBondContact O-N 2.79Å; T160-W170 PolarHBondContact OG1-NE1 2.8Å
161	C	94.6	Very high	94.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	151.8	172.5	70.3	0	0	0	0	111	L145 N146 D147 T166 V167 P195 C198	L145-C161 CarbonylContact C-O 3.48Å; L145-C161 VanDerWaalsContact CA-O 3.32Å; L145-C161 WeakPolarHBondContact CA-O 3.49Å; N146-C161 PolarHBondContact N-O 2.97Å; D147-C161 VanDerWaalsContact CB-SG 3.57Å; D147-C161 PolarHBondContact N-SG 2.66Å; D147-C161 PolarHBondContact O-N 2.83Å; C161-T166 WeakPolarHBondContact CA-O 3.43Å; C161-V167 HydrophobicContact CB-CG2 3.89Å; C161-P195 HydrophobicContact CB-CB 3.86Å; C161-P195 HydrophobicContact CB-CG 3.78Å; C161-C198 HydrophobicContact CB-CB 3.9Å
162	A	95.7	Very high	94.3	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	167.8	-177	0	0	0	0	0	113.3	H141 Q144 L145 D164 G165 T166 P195	H141-A162 HydrophobicContact CB-CB 4.19Å; H141-A162 WeakPolarHBondContact ND1-CB 3.42Å; Q144-A162 CarbonylContact O-C 3.55Å; Q144-A162 WeakPolarHBondContact O-CA 3.22Å; Q144-A162 WeakPolarHBondContact O-CB 3.04Å; L145-A162 HydrophobicContact CD2-CB 4.04Å; A162-D164 WeakPolarHBondContact CB-OD1 3.15Å; A162-D164 PolarHBondContact O-N 3.21Å; A162-G165 PolarHBondContact O-N 2.92Å; A162-T166 PolarHBondContact N-O 2.61Å; A162-P195 WeakPolarHBondContact O-CD 3.34Å
163	D	94.2	Very high	94.6	Very high	66 Å²	66	29.4 Å²	29.4	35%	0.353	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-7.7	175.2	-68.6	-21.5	0	0	0	114.2	A143 Q144 N146 G165 V194	A143-D163 HydrophobicContact CB-CB 3.85Å; Q144-D163 PolarHBondContact O-N 3.45Å; N146-D163 PolarHBondContact ND2-OD1 3.27Å; N146-D163 PolarHBondContact OD1-OD1 3.31Å; D163-G165 PolarHBondContact O-N 2.83Å; D163-V194 HydrophobicContact CB-CG1 4.49Å; D163-V194 WeakPolarHBondContact OD1-CG1 3.39Å
164	D	94.4	Very high	94.8	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-3.9	175.2	64.2	7	0	0	0	113.2	M135 H141 T142 A143 A162 T166 R168	M135-D164 HydrophobicContact CE-CB 4.02Å; M135-D164 HydrophobicContact SD-CB 4.13Å; H141-D164 WeakPolarHBondContact CA-OD2 2.86Å; H141-D164 IonicContact CE1-OD1 3.55Å; H141-D164 IonicContact CG-OD2 3.91Å; H141-D164 IonicContact ND1-OD1 3.54Å; H141-D164 PolarHBondContact ND1-OD1 3.05Å; H141-D164 IonicContact ND1-OD2 2.66Å; H141-D164 PolarHBondContact ND1-OD2 2.78Å; T142-D164 PolarHBondContact N-OD2 3.01Å; T142-D164 WeakPolarHBondContact OG1-CB 3.46Å; A143-D164 HydrophobicContact CB-CB 3.99Å; A162-D164 WeakPolarHBondContact CB-OD1 3.15Å; A162-D164 PolarHBondContact O-N 3.21Å; D164-T166 VanDerWaalsContact CG-OG1 3.23Å; D164-T166 WeakPolarHBondContact OD1-CB 3.34Å; D164-T166 PolarHBondContact OD1-N 2.9Å; D164-T166 VanDerWaalsContact OD1-N 3.08Å; D164-T166 PolarHBondContact OD1-OG1 2.76Å; D164-T166 PolarHBondContact OD2-OG1 2.81Å; D164-R168 IonicContact OD2-CZ 3.67Å; D164-R168 IonicContact OD2-NH1 3.61Å; D164-R168 PolarHBondContact OD2-NH1 3Å; D164-R168 IonicContact OD2-NH2 2.65Å
165	G	93.6	Very high	94.9	Very high	3 Å²	3	25.6 Å²	25.6	3%	0.031	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	28	-178.3	0	0	0	0	0	112.3	A162 D163 T185	A162-G165 PolarHBondContact O-N 2.92Å; D163-G165 PolarHBondContact O-N 2.83Å; G165-T185 PolarHBondContact O-N 2.96Å; G165-T185 PolarHBondContact O-OG1 3.49Å
166	T	95.7	Very high	95	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	148.1	-179.8	71.6	0	0	0	0	113.2	M135 H141 C161 A162 D164 R168 V182 I183	M135-T166 HydrophobicContact CB-CG2 3.63Å; M135-T166 HydrophobicContact CG-CG2 3.75Å; M135-T166 HydrophobicContact SD-CG2 4.5Å; H141-T166 PolarHBondContact CE1-OG1 3.07Å; H141-T166 VanDerWaalsContact CE1-OG1 3.28Å; H141-T166 PolarHBondContact ND1-OG1 2.89Å; C161-T166 WeakPolarHBondContact CA-O 3.43Å; A162-T166 PolarHBondContact N-O 2.61Å; D164-T166 VanDerWaalsContact CG-OG1 3.23Å; D164-T166 WeakPolarHBondContact OD1-CB 3.34Å; D164-T166 PolarHBondContact OD1-N 2.9Å; D164-T166 VanDerWaalsContact OD1-N 3.08Å; D164-T166 PolarHBondContact OD1-OG1 2.76Å; D164-T166 PolarHBondContact OD2-OG1 2.81Å; T166-R168 PolarHBondContact OG1-NH1 2.83Å; T166-R168 VanDerWaalsContact OG1-NH1 3.14Å; T166-V182 HydrophobicContact CG2-CG1 3.89Å; T166-I183 VanDerWaalsContact CA-O 3.29Å; T166-I183 WeakPolarHBondContact CA-O 3.41Å
167	V	95.6	Very high	95	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	122.3	161.9	-179.7	0	0	0	0	107.1	L159 T160 C161 I183 T185 P195 C198 A209	L159-V167 HydrophobicContact CD2-CG1 3.84Å; T160-V167 CarbonylContact O-C 3.48Å; T160-V167 WeakPolarHBondContact O-CA 2.98Å; C161-V167 HydrophobicContact CB-CG2 3.89Å; V167-I183 HydrophobicContact CB-CB 4.18Å; V167-I183 PolarHBondContact N-O 2.87Å; V167-I183 WeakPolarHBondContact O-CB 3.36Å; V167-I183 PolarHBondContact O-N 2.88Å; V167-T185 HydrophobicContact CG2-CG2 4.43Å; V167-P195 HydrophobicContact CG2-CB 3.93Å; V167-P195 HydrophobicContact CG2-CG 4Å; V167-C198 HydrophobicContact CG1-CB 4.12Å; V167-C198 HydrophobicContact CG2-CB 4.38Å; V167-A209 HydrophobicContact CG2-CB 3.78Å
168	R	96.1	Very high	95	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	136.7	179.8	-70.4	-166.9	170.5	88.7	0	110.8	M135 T138 G140 H141 L159 T160 D164 T166 W170 H179 A181 V182	M135-R168 PolarHBondContact O-NH2 2.84Å; T138-R168 PolarHBondContact OG1-NH2 3.44Å; G140-R168 VanDerWaalsContact C-NH1 3.31Å; G140-R168 PolarHBondContact O-NH1 3.47Å; G140-R168 PolarHBondContact O-NH2 2.69Å; H141-R168 PolarHBondContact CE1-NH1 2.89Å; H141-R168 PolarHBondContact ND1-NH1 2.83Å; L159-R168 WeakPolarHBondContact CA-O 3.19Å; T160-R168 PolarHBondContact N-O 3.02Å; T160-R168 PolarHBondContact O-N 2.79Å; D164-R168 IonicContact OD2-CZ 3.67Å; D164-R168 IonicContact OD2-NH1 3.61Å; D164-R168 PolarHBondContact OD2-NH1 3Å; D164-R168 IonicContact OD2-NH2 2.65Å; T166-R168 PolarHBondContact OG1-NH1 2.83Å; T166-R168 VanDerWaalsContact OG1-NH1 3.14Å; R168-W170 HydrophobicContact CB-CZ2 4.29Å; R168-H179 HydrophobicContact CB-CB 4.25Å; R168-H179 HydrophobicContact CG-CB 4.45Å; R168-A181 WeakPolarHBondContact CA-O 3.22Å; R168-V182 HydrophobicContact CG-CG1 4.36Å; R168-V182 HydrophobicContact CG-CG2 4.28Å
169	L	96.5	Very high	94.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	132.8	168.8	-75.4	70.7	0	0	0	108	E157 L159 K180 A181 I183 I207 Y225	E157-L169 WeakPolarHBondContact OE1-CD2 3.41Å; L159-L169 HydrophobicContact CD2-CB 4.34Å; L159-L169 HydrophobicContact CD2-CD1 3.35Å; L159-L169 HydrophobicContact CD2-CG 3.44Å; L159-L169 VanDerWaalsContact CD2-CG 3.44Å; L169-K180 HydrophobicContact CB-CB 4.39Å; L169-K180 WeakPolarHBondContact O-CB 3.43Å; L169-K180 PolarHBondContact O-N 3.39Å; L169-A181 HydrophobicContact CB-CB 4.24Å; L169-A181 HydrophobicContact CD1-CB 4.41Å; L169-A181 HydrophobicContact CD2-CB 4.4Å; L169-A181 PolarHBondContact N-O 3.08Å; L169-A181 PolarHBondContact O-N 3.01Å; L169-I183 HydrophobicContact CD1-CD1 3.82Å; L169-I183 HydrophobicContact CD1-CG1 4.03Å; L169-I207 HydrophobicContact CD1-CD1 3.92Å; L169-I207 HydrophobicContact CD2-CD1 3.94Å; L169-I207 HydrophobicContact CG-CD1 4.2Å; L169-Y225 HydrophobicContact CD2-CE2 4.17Å; L169-Y225 WeakPolarHBondContact CD2-OH 3.28Å
170	W	96.7	Very high	94.8	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.9	-179.6	-62	93.8	0	0	0	109.6	C125 V126 H141 E157 F158 T160 R168 A175 H179	C125-W170 HydrophobicContact CB-CE3 4.26Å; C125-W170 HydrophobicContact CB-CH2 3.84Å; C125-W170 HydrophobicContact CB-CZ2 4.15Å; C125-W170 HydrophobicContact CB-CZ3 3.92Å; V126-W170 HydrophobicContact CG1-CH2 4.11Å; V126-W170 HydrophobicContact CG1-CZ3 4.04Å; H141-W170 AromaticContact CD2-CZ2 3.93Å; E157-W170 VanDerWaalsContact CA-O 3.3Å; E157-W170 WeakPolarHBondContact CA-O 3.4Å; E157-W170 WeakPolarHBondContact CG-O 2.79Å; F158-W170 HydrophobicContact CD1-CB 3.96Å; F158-W170 HydrophobicContact CD2-CB 3.76Å; F158-W170 AromaticContact CD2-CD1 3.82Å; F158-W170 HydrophobicContact CD2-CG 4.02Å; F158-W170 HydrophobicContact CE1-CB 3.57Å; F158-W170 HydrophobicContact CE1-CG 4.49Å; F158-W170 HydrophobicContact CE2-CB 3.35Å; F158-W170 AromaticContact CE2-CD1 3.51Å; F158-W170 HydrophobicContact CE2-CD2 4.34Å; F158-W170 AromaticContact CE2-CG 3.45Å; F158-W170 HydrophobicContact CE2-CG 3.45Å; F158-W170 VanDerWaalsContact CE2-CG 3.45Å; F158-W170 HydrophobicContact CG-CB 4.05Å; F158-W170 HydrophobicContact CZ-CB 3.25Å; F158-W170 HydrophobicContact CZ-CD2 4.48Å; F158-W170 AromaticContact CZ-CG 3.73Å; F158-W170 HydrophobicContact CZ-CG 3.73Å; F158-W170 PolarHBondContact N-O 3.01Å; F158-W170 PolarHBondContact O-N 3.36Å; T160-W170 PolarHBondContact OG1-NE1 2.8Å; R168-W170 HydrophobicContact CB-CZ2 4.29Å; W170-A175 HydrophobicContact CB-CB 4.44Å; W170-A175 HydrophobicContact CE3-CB 3.78Å; W170-A175 HydrophobicContact CZ3-CB 4.46Å; W170-H179 HydrophobicContact CD2-CB 4.23Å; W170-H179 HydrophobicContact CE3-CB 4Å; W170-H179 HydrophobicContact CH2-CB 4.19Å; W170-H179 HydrophobicContact CZ2-CB 4.37Å; W170-H179 HydrophobicContact CZ3-CB 3.99Å
171	D	95.3	Very high	94.8	Very high	36 Å²	36	43.4 Å²	43.4	19%	0.193	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	130.4	165.1	157.3	50.3	0	0	0	108.5	N156 Y173 T174 A175 K180	N156-D171 CarbonylContact O-C 3.43Å; N156-D171 WeakPolarHBondContact O-CA 2.91Å; D171-Y173 PolarHBondContact O-N 2.85Å; D171-Y173 VanDerWaalsContact O-N 3.14Å; D171-T174 WeakPolarHBondContact CB-OG1 3.47Å; D171-T174 PolarHBondContact O-N 3.48Å; D171-T174 PolarHBondContact O-OG1 2.8Å; D171-T174 WeakPolarHBondContact OD2-CG2 3.36Å; D171-T174 PolarHBondContact OD2-OG1 2.94Å; D171-A175 VanDerWaalsContact O-CB 3.23Å; D171-A175 WeakPolarHBondContact O-CB 3.34Å; D171-A175 PolarHBondContact O-N 2.53Å; D171-K180 HydrophobicContact CB-CB 4.42Å; D171-K180 HydrophobicContact CB-CD 4.25Å
172	Y	92.7	Very high	94.8	Very high	66 Å²	66	44.4 Å²	44.4	26%	0.259	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-39.6	-172.9	177.3	-95.6	0	0	0	112.9	V114 L122 L123 N156	V114-Y172 HydrophobicContact CG1-CE2 4.46Å; L122-Y172 HydrophobicContact CB-CE2 4.41Å; L123-Y172 HydrophobicContact CB-CE2 4.2Å; L123-Y172 HydrophobicContact CD2-CD2 3.84Å; L123-Y172 HydrophobicContact CD2-CE2 4.27Å; N156-Y172 VanDerWaalsContact O-CB 3.31Å; N156-Y172 WeakPolarHBondContact O-CB 2.86Å; N156-Y172 PolarHBondContact O-N 2.97Å
173	Y	94.5	Very high	94.7	Very high	164 Å²	164	44.4 Å²	44.4	64%	0.643	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-27.8	-178	-62	-71.8	0	0	0	113.3	N156 D171	N156-Y173 HydrophobicContact CB-CE2 4.38Å; D171-Y173 PolarHBondContact O-N 2.85Å; D171-Y173 VanDerWaalsContact O-N 3.14Å
174	T	94.3	Very high	94.8	Very high	55 Å²	55	44.8 Å²	44.8	34%	0.337	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-14.5	-175.2	51.5	0	0	0	0	113.7	D171 K176 K177 T178	D171-T174 WeakPolarHBondContact CB-OG1 3.47Å; D171-T174 PolarHBondContact O-N 3.48Å; D171-T174 PolarHBondContact O-OG1 2.8Å; D171-T174 WeakPolarHBondContact OD2-CG2 3.36Å; D171-T174 PolarHBondContact OD2-OG1 2.94Å; T174-K176 PolarHBondContact O-N 3.36Å; T174-K176 VanDerWaalsContact O-N 3.07Å; T174-K177 WeakPolarHBondContact O-CA 2.88Å; T174-K177 PolarHBondContact O-N 2.86Å; T174-T178 CarbonylContact C-O 3.48Å; T174-T178 PolarHBondContact O-N 3.3Å; T174-T178 VanDerWaalsContact O-O 3.06Å
175	A	94.7	Very high	94.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.3	-172.6	0	0	0	0	0	115.6	L123 V126 F158 W170 D171 K177	L123-A175 HydrophobicContact CD1-CB 3.89Å; L123-A175 HydrophobicContact CD2-CB 3.66Å; L123-A175 HydrophobicContact CG-CB 4.28Å; V126-A175 PolarHBondContact N-O 2.79Å; F158-A175 HydrophobicContact CZ-CB 4.3Å; W170-A175 HydrophobicContact CB-CB 4.44Å; W170-A175 HydrophobicContact CE3-CB 3.78Å; W170-A175 HydrophobicContact CZ3-CB 4.46Å; D171-A175 VanDerWaalsContact O-CB 3.23Å; D171-A175 WeakPolarHBondContact O-CB 3.34Å; D171-A175 PolarHBondContact O-N 2.53Å; A175-K177 PolarHBondContact O-N 3.03Å
176	K	94.1	Very high	94.5	Very high	130 Å²	130	50.1 Å²	50.1	57%	0.565	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-19.1	172.3	-65.3	-168.7	179.7	179.2	0	113.4	L122 L123 T174	L122-K176 PolarHBondContact O-NZ 3.49Å; L123-K176 HydrophobicContact CD1-CB 4.4Å; L123-K176 HydrophobicContact CD1-CD 4.1Å; L123-K176 HydrophobicContact CD1-CG 3.26Å; T174-K176 PolarHBondContact O-N 3.36Å; T174-K176 VanDerWaalsContact O-N 3.07Å
177	K	94.4	Very high	94.2	Very high	165 Å²	165	51.5 Å²	51.5	72%	0.717	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-45.1	-175.1	-64	-176.9	-179.7	179.2	0	112.1	K139 T174 A175	K139-K177 WeakPolarHBondContact CD-O 3.48Å; T174-K177 WeakPolarHBondContact O-CA 2.88Å; T174-K177 PolarHBondContact O-N 2.86Å; A175-K177 PolarHBondContact O-N 3.03Å
178	T	94.7	Very high	93.7	Very high	56 Å²	56	57.4 Å²	57.4	34%	0.344	28%	0.28	S	S	.	.			trans	-161.6	158	-176	-171.6	0	0	0	0	111.1	T174	T174-T178 CarbonylContact C-O 3.48Å; T174-T178 PolarHBondContact O-N 3.3Å; T174-T178 VanDerWaalsContact O-O 3.06Å
179	H	94	Very high	93.3	Very high	25 Å²	25	61.7 Å²	61.7	12%	0.116	31%	0.31	C	S	.	.			trans	-70.1	159.2	163.6	62.1	-87.6	0	0	0	110.9	T138 K139 R168 W170 A181 V182	T138-H179 PolarHBondContact O-CE1 2.78Å; T138-H179 PolarHBondContact O-ND1 3.19Å; K139-H179 PolarHBondContact O-N 3.33Å; K139-H179 VanDerWaalsContact O-N 3.13Å; K139-H179 PolarHBondContact O-ND1 2.78Å; R168-H179 HydrophobicContact CB-CB 4.25Å; R168-H179 HydrophobicContact CG-CB 4.45Å; W170-H179 HydrophobicContact CD2-CB 4.23Å; W170-H179 HydrophobicContact CE3-CB 4Å; W170-H179 HydrophobicContact CH2-CB 4.19Å; W170-H179 HydrophobicContact CZ2-CB 4.37Å; W170-H179 HydrophobicContact CZ3-CB 3.99Å; H179-A181 VanDerWaalsContact CD2-C 3.5Å; H179-V182 WeakPolarHBondContact CD2-CG2 2.95Å; H179-V182 WeakPolarHBondContact NE2-CG2 3.42Å
180	K	93.9	Very high	92.8	Very high	118 Å²	118	63.9 Å²	63.9	51%	0.513	33%	0.333	S	S	.	.	S	Bend	trans	-79.5	-43.3	175.7	-178.1	-179.8	179.8	177.3	0	111.8	E157 L169 D171	E157-K180 IonicContact OE2-NZ 2.77Å; E157-K180 PolarHBondContact OE2-NZ 3.5Å; L169-K180 HydrophobicContact CB-CB 4.39Å; L169-K180 WeakPolarHBondContact O-CB 3.43Å; L169-K180 PolarHBondContact O-N 3.39Å; D171-K180 HydrophobicContact CB-CB 4.42Å; D171-K180 HydrophobicContact CB-CD 4.25Å
181	A	94.6	Very high	92.4	Very high	20 Å²	20	70.1 Å²	70.1	17%	0.165	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	156.7	175.6	0	0	0	0	0	111.4	R168 L169 H179 Y225	R168-A181 WeakPolarHBondContact CA-O 3.22Å; L169-A181 HydrophobicContact CB-CB 4.24Å; L169-A181 HydrophobicContact CD1-CB 4.41Å; L169-A181 HydrophobicContact CD2-CB 4.4Å; L169-A181 PolarHBondContact N-O 3.08Å; L169-A181 PolarHBondContact O-N 3.01Å; H179-A181 VanDerWaalsContact CD2-C 3.5Å; A181-Y225 HydrophobicContact CB-CD2 3.96Å; A181-Y225 HydrophobicContact CB-CE2 3.64Å
182	V	94.8	Very high	92.2	Very high	21 Å²	21	76.4 Å²	76.4	13%	0.127	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	134	172.9	-171	0	0	0	0	109.2	T166 R168 H179 K184	T166-V182 HydrophobicContact CG2-CG1 3.89Å; R168-V182 HydrophobicContact CG-CG1 4.36Å; R168-V182 HydrophobicContact CG-CG2 4.28Å; H179-V182 WeakPolarHBondContact CD2-CG2 2.95Å; H179-V182 WeakPolarHBondContact NE2-CG2 3.42Å; V182-K184 HydrophobicContact CG1-CG 4.49Å
183	I	95	Very high	92.1	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.6	169.7	-52.1	-174.5	0	0	0	107.2	T166 V167 L169 I207 W219 Y225	T166-I183 VanDerWaalsContact CA-O 3.29Å; T166-I183 WeakPolarHBondContact CA-O 3.41Å; V167-I183 HydrophobicContact CB-CB 4.18Å; V167-I183 PolarHBondContact N-O 2.87Å; V167-I183 WeakPolarHBondContact O-CB 3.36Å; V167-I183 PolarHBondContact O-N 2.88Å; L169-I183 HydrophobicContact CD1-CD1 3.82Å; L169-I183 HydrophobicContact CD1-CG1 4.03Å; I183-I207 HydrophobicContact CD1-CD1 4.06Å; I183-I207 HydrophobicContact CD1-CG2 4.21Å; I183-W219 HydrophobicContact CD1-CD2 4.19Å; I183-W219 HydrophobicContact CD1-CE3 4.13Å; I183-W219 HydrophobicContact CD1-CG 4.35Å; I183-W219 HydrophobicContact CG2-CD2 3.53Å; I183-W219 HydrophobicContact CG2-CE3 3.89Å; I183-W219 HydrophobicContact CG2-CG 4.17Å; I183-W219 HydrophobicContact CG2-CH2 3.7Å; I183-W219 HydrophobicContact CG2-CZ2 3.33Å; I183-W219 HydrophobicContact CG2-CZ3 3.97Å; I183-Y225 HydrophobicContact CD1-CD1 3.57Å; I183-Y225 HydrophobicContact CD1-CE1 4.04Å; I183-Y225 HydrophobicContact CD1-CG 3.94Å; I183-Y225 HydrophobicContact CG1-CD1 3.98Å; I183-Y225 HydrophobicContact CG1-CD2 4.31Å; I183-Y225 HydrophobicContact CG1-CG 3.79Å
184	K	94.4	Very high	92	Very high	74 Å²	74	67.8 Å²	67.8	32%	0.322	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	115.3	177.9	-67.8	174.1	173.2	168.4	0	108.9	D134 N136 V182	D134-K184 IonicContact OD1-NZ 2.77Å; D134-K184 PolarHBondContact OD1-NZ 2.86Å; N136-K184 PolarHBondContact ND2-NZ 2.81Å; N136-K184 VanDerWaalsContact ND2-NZ 3.13Å; N136-K184 WeakPolarHBondContact OD1-CE 3.27Å; N136-K184 PolarHBondContact OD1-NZ 2.86Å; V182-K184 HydrophobicContact CG1-CG 4.49Å
185	T	92	Very high	91.8	Very high	1 Å²	1	65.2 Å²	65.2	1%	0.006	34%	0.34	C	S	.	.			trans	-81.5	128.1	175.4	38.5	0	0	0	0	109.9	G165 V167 A193 P195 A209 C211 W219	G165-T185 PolarHBondContact O-N 2.96Å; G165-T185 PolarHBondContact O-OG1 3.49Å; V167-T185 HydrophobicContact CG2-CG2 4.43Å; T185-A193 WeakPolarHBondContact CB-O 3.44Å; T185-A193 PolarHBondContact O-N 3.06Å; T185-A193 PolarHBondContact OG1-O 3.23Å; T185-P195 HydrophobicContact CG2-CB 4.35Å; T185-P195 WeakPolarHBondContact OG1-CD 3.24Å; T185-A209 HydrophobicContact CG2-CB 4.1Å; T185-C211 VanDerWaalsContact CG2-SG 3.57Å; T185-W219 HydrophobicContact CG2-CH2 3.66Å; T185-W219 HydrophobicContact CG2-CZ2 4.22Å
186	K	91.3	Very high	91.3	Very high	119 Å²	119	67.3 Å²	67.3	52%	0.517	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-128	138.2	-177	-63.9	-177.1	-177.7	-179.6	0	110.9	M191 Q217	K186-M191 CarbonylContact C-O 3.51Å; K186-M191 VanDerWaalsContact CA-O 3.27Å; K186-M191 WeakPolarHBondContact CA-O 3.38Å; K186-Q217 PolarHBondContact O-NE2 3Å
187	T	88.7	Confident	90.9	Very high	29 Å²	29	61.3 Å²	61.3	18%	0.178	33%	0.328	C	S	.	.			trans	-65.9	167.5	168.5	64.5	0	0	0	0	110.4	S189 G190 M191 A193 D213	T187-S189 PolarHBondContact O-N 2.93Å; T187-S189 VanDerWaalsContact O-N 3.17Å; T187-S189 PolarHBondContact OG1-N 3.32Å; T187-S189 PolarHBondContact OG1-OG 3.2Å; T187-G190 PolarHBondContact O-N 2.92Å; T187-M191 PolarHBondContact N-O 3.19Å; T187-M191 PolarHBondContact OG1-N 3.42Å; T187-M191 PolarHBondContact OG1-O 2.93Å; T187-M191 VanDerWaalsContact OG1-O 3.13Å; T187-A193 HydrophobicContact CG2-CB 3.75Å; T187-D213 WeakPolarHBondContact CA-OD2 3.44Å; T187-D213 HydrophobicContact CG2-CB 4.18Å; T187-D213 WeakPolarHBondContact CG2-OD2 3.18Å
188	S	84.6	Confident	90.6	Very high	125 Å²	125	53.4 Å²	53.4	87%	0.874	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-28.6	171.7	56.8	0	0	0	0	113.4	G190	S188-G190 PolarHBondContact O-N 3.2Å
189	S	87.8	Confident	90.3	Very high	89 Å²	89	51.3 Å²	51.3	62%	0.622	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-5	174.8	72.7	0	0	0	0	114.3	T187 M191	T187-S189 PolarHBondContact O-N 2.93Å; T187-S189 VanDerWaalsContact O-N 3.17Å; T187-S189 PolarHBondContact OG1-N 3.32Å; T187-S189 PolarHBondContact OG1-OG 3.2Å; S189-M191 VanDerWaalsContact C-N 3.27Å; S189-M191 PolarHBondContact O-N 2.89Å; S189-M191 WeakPolarHBondContact OG-CG 3.46Å
190	G	85.6	Confident	90.1	Very high	47 Å²	47	50.5 Å²	50.5	49%	0.485	28%	0.277	S	S	.	.	S	Bend	trans	83.9	-5.8	-175.5	0	0	0	0	0	114.7	T187 S188	T187-G190 PolarHBondContact O-N 2.92Å; S188-G190 PolarHBondContact O-N 3.2Å
191	M	89.8	Confident	89.6	Confident	132 Å²	132	45 Å²	45	65%	0.65	25%	0.253	S	S	*	.	S	Bend	trans	-71.2	157.8	174.5	-63.2	-62.9	-75.6	0	0	111.7	K186 T187 S189 A193	K186-M191 CarbonylContact C-O 3.51Å; K186-M191 VanDerWaalsContact CA-O 3.27Å; K186-M191 WeakPolarHBondContact CA-O 3.38Å; T187-M191 PolarHBondContact N-O 3.19Å; T187-M191 PolarHBondContact OG1-N 3.42Å; T187-M191 PolarHBondContact OG1-O 2.93Å; T187-M191 VanDerWaalsContact OG1-O 3.13Å; S189-M191 VanDerWaalsContact C-N 3.27Å; S189-M191 PolarHBondContact O-N 2.89Å; S189-M191 WeakPolarHBondContact OG-CG 3.46Å; M191-A193 PolarHBondContact O-N 3.14Å
192	R	90.9	Very high	88.8	Confident	169 Å²	169	48.8 Å²	48.8	64%	0.638	26%	0.263	S	S	*	.	B	Isolated β-bridge	trans	-61.6	126.5	177.2	-69.4	-176	-71.1	166	-3.6	110.8
193	A	90.4	Very high	88.3	Confident	3 Å²	3	51.1 Å²	51.1	3%	0.025	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-100.4	132.6	170.1	0	0	0	0	0	108.7	T185 T187 M191 P195 C211	T185-A193 WeakPolarHBondContact CB-O 3.44Å; T185-A193 PolarHBondContact O-N 3.06Å; T185-A193 PolarHBondContact OG1-O 3.23Å; T187-A193 HydrophobicContact CG2-CB 3.75Å; M191-A193 PolarHBondContact O-N 3.14Å; A193-P195 WeakPolarHBondContact O-CD 3.39Å; A193-C211 HydrophobicContact CB-CB 3.93Å
194	V	91.7	Very high	87.9	Confident	46 Å²	46	51.2 Å²	51.2	28%	0.279	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-81.3	118.2	-179.6	171.8	0	0	0	0	109.8	D163 T196 C211 A212	D163-V194 HydrophobicContact CB-CG1 4.49Å; D163-V194 WeakPolarHBondContact OD1-CG1 3.39Å; V194-T196 PolarHBondContact O-N 3.4Å; V194-C211 CarbonylContact O-C 3.59Å; V194-C211 VanDerWaalsContact O-CA 3.28Å; V194-C211 WeakPolarHBondContact O-CA 3.4Å; V194-A212 HydrophobicContact CB-CB 4.28Å; V194-A212 PolarHBondContact O-N 2.75Å
195	P	90.2	Very high	87.6	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	122.1	174.1	29.8	-32.3	0	0	0	110.5	N146 C161 A162 V167 T185 A193 A209 G210	N146-P195 PolarHBondContact ND2-O 2.89Å; C161-P195 HydrophobicContact CB-CB 3.86Å; C161-P195 HydrophobicContact CB-CG 3.78Å; A162-P195 WeakPolarHBondContact O-CD 3.34Å; V167-P195 HydrophobicContact CG2-CB 3.93Å; V167-P195 HydrophobicContact CG2-CG 4Å; T185-P195 HydrophobicContact CG2-CB 4.35Å; T185-P195 WeakPolarHBondContact OG1-CD 3.24Å; A193-P195 WeakPolarHBondContact O-CD 3.39Å; P195-A209 HydrophobicContact CB-CB 4.38Å; P195-G210 CarbonylContact C-O 3.5Å; P195-G210 WeakPolarHBondContact CA-O 3.36Å
196	T	85.3	Confident	87.4	Confident	44 Å²	44	55.4 Å²	55.4	27%	0.27	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-28.2	177.2	56.7	0	0	0	0	112.2	N146 V194 G210 A212	N146-T196 WeakPolarHBondContact CB-O 3.36Å; V194-T196 PolarHBondContact O-N 3.4Å; T196-G210 PolarHBondContact N-O 3.43Å; T196-G210 PolarHBondContact OG1-O 3.07Å; T196-A212 HydrophobicContact CG2-CB 3.96Å
197	A	85.1	Confident	87.3	Confident	4 Å²	4	49.7 Å²	49.7	3%	0.033	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	151.5	176.3	0	0	0	0	0	111.1	D147 A209 G210 F238 K240	D147-A197 HydrophobicContact CB-CB 4.45Å; A197-A209 WeakPolarHBondContact O-CA 3.47Å; A197-G210 PolarHBondContact N-O 2.89Å; A197-G210 PolarHBondContact O-N 2.81Å; A197-F238 HydrophobicContact CB-CD1 3.67Å; A197-F238 HydrophobicContact CB-CE1 4.3Å; A197-K240 HydrophobicContact CB-CG 4.33Å
198	C	88.6	Confident	87.3	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	142.1	179.7	64.2	0	0	0	0	111	C161 V167 A208	C161-C198 HydrophobicContact CB-CB 3.9Å; V167-C198 HydrophobicContact CG1-CB 4.12Å; V167-C198 HydrophobicContact CG2-CB 4.38Å; C198-A208 VanDerWaalsContact CA-O 3.32Å; C198-A208 WeakPolarHBondContact CA-O 3.17Å
199	T	88.5	Confident	87.4	Confident	12 Å²	12	42.4 Å²	42.4	7%	0.074	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	156.8	-176.7	-164.5	0	0	0	0	111.9	A208 F238 K240 F242	T199-A208 HydrophobicContact CG2-CB 4.12Å; T199-A208 PolarHBondContact N-O 3.25Å; T199-A208 PolarHBondContact O-N 2.77Å; T199-F238 HydrophobicContact CG2-CE1 4.31Å; T199-F238 HydrophobicContact CG2-CZ 4.21Å; T199-K240 WeakPolarHBondContact CB-O 3.08Å; T199-K240 PolarHBondContact OG1-O 3.04Å; T199-F242 HydrophobicContact CG2-CB 4.06Å; T199-F242 HydrophobicContact CG2-CD2 3.65Å; T199-F242 HydrophobicContact CG2-CG 4.22Å
200	Y	88	Confident	87.3	Confident	8 Å²	8	38.1 Å²	38.1	3%	0.031	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	151.1	166.9	-75.7	-79.1	0	0	0	109.8	W150 H151 E157 L159 L206 I207 H221	W150-Y200 WeakPolarHBondContact O-CD2 3.38Å; H151-Y200 HydrophobicContact CB-CD2 4.31Å; H151-Y200 HydrophobicContact CB-CE2 3.92Å; H151-Y200 AromaticContact CD2-CD1 3.69Å; H151-Y200 AromaticContact CD2-CE1 3.52Å; H151-Y200 AromaticContact CD2-CZ 3.81Å; E157-Y200 PolarHBondContact OE1-OH 2.9Å; L159-Y200 HydrophobicContact CB-CE2 4.11Å; L159-Y200 HydrophobicContact CD1-CD1 3.99Å; L159-Y200 HydrophobicContact CD1-CD2 3.45Å; L159-Y200 VanDerWaalsContact CD1-CD2 3.45Å; L159-Y200 HydrophobicContact CD1-CE1 3.77Å; L159-Y200 HydrophobicContact CD1-CE2 3.21Å; L159-Y200 HydrophobicContact CD1-CG 3.85Å; L159-Y200 HydrophobicContact CD2-CE2 4.45Å; L159-Y200 HydrophobicContact CG-CD2 4.04Å; L159-Y200 HydrophobicContact CG-CE1 4.19Å; L159-Y200 HydrophobicContact CG-CE2 3.29Å; L159-Y200 WeakPolarHBondContact CG-OH 3.33Å; Y200-L206 WeakPolarHBondContact CA-O 3.49Å; Y200-I207 HydrophobicContact CD1-CG1 3.75Å; Y200-I207 HydrophobicContact CE1-CD1 3.91Å; Y200-I207 HydrophobicContact CE1-CG1 3.6Å; Y200-H221 AromaticContact CE1-CD2 3.62Å
201	S	84.9	Confident	87.3	Confident	1 Å²	1	36 Å²	36	1%	0.007	17%	0.168	C	C	.	.			trans	-64.5	150.8	159.7	58.3	0	0	0	0	110.2	P152 D203 G204 K205 L206	P152-S201 WeakPolarHBondContact CG-O 3.49Å; S201-D203 WeakPolarHBondContact CB-OD1 3.44Å; S201-D203 PolarHBondContact O-N 3Å; S201-D203 VanDerWaalsContact O-N 3.09Å; S201-D203 PolarHBondContact OG-OD1 2.88Å; S201-G204 WeakPolarHBondContact O-CA 3.39Å; S201-G204 PolarHBondContact O-N 2.84Å; S201-K205 PolarHBondContact OG-N 2.73Å; S201-L206 PolarHBondContact N-O 2.78Å; S201-L206 PolarHBondContact OG-N 3.23Å; S201-L206 PolarHBondContact OG-O 3.44Å
202	R	78.2	Confident	86.9	Confident	100 Å²	100	32.7 Å²	32.7	38%	0.377	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-28.1	177.8	-165	-178.7	175.4	159	7.3	113.9	P152 G204 P244 E344	P152-R202 WeakPolarHBondContact CG-O 3.34Å; R202-G204 VanDerWaalsContact C-N 3.33Å; R202-P244 HydrophobicContact CB-CG 3.44Å; R202-P244 VanDerWaalsContact CB-CG 3.44Å; R202-E344 IonicContact CZ-OE1 3.74Å; R202-E344 IonicContact NH2-OE1 2.9Å; R202-E344 PolarHBondContact NH2-OE1 2.79Å
203	D	82.7	Confident	86.3	Confident	70 Å²	70	27.8 Å²	27.8	37%	0.374	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-4.8	175.6	73	-21.7	0	0	0	113.6	S201 K205 P244	S201-D203 WeakPolarHBondContact CB-OD1 3.44Å; S201-D203 PolarHBondContact O-N 3Å; S201-D203 VanDerWaalsContact O-N 3.09Å; S201-D203 PolarHBondContact OG-OD1 2.88Å; D203-K205 HydrophobicContact CB-CG 4.47Å; D203-K205 PolarHBondContact O-N 2.9Å; D203-K205 PolarHBondContact OD1-N 3.07Å; D203-K205 WeakPolarHBondContact OD2-CD 3.33Å; D203-K205 WeakPolarHBondContact OD2-CG 3.05Å; D203-K205 IonicContact OD2-NZ 2.71Å; D203-P244 HydrophobicContact CB-CG 4.3Å
204	G	87	Confident	85.7	Confident	2 Å²	2	27.7 Å²	27.7	2%	0.021	15%	0.147	C	C	.	.	S	Bend	trans	75.3	-0.4	179.7	0	0	0	0	0	114.8	H151 S201 R202 H221	H151-G204 WeakPolarHBondContact NE2-CA 3.28Å; H151-G204 PolarHBondContact NE2-O 3.3Å; S201-G204 WeakPolarHBondContact O-CA 3.39Å; S201-G204 PolarHBondContact O-N 2.84Å; R202-G204 VanDerWaalsContact C-N 3.33Å; G204-H221 VanDerWaalsContact O-CB 3.22Å; G204-H221 WeakPolarHBondContact O-CB 3.15Å
205	K	87.6	Confident	85.2	Confident	138 Å²	138	25.8 Å²	25.8	60%	0.6	14%	0.136	S	C	*	.	S	Bend	trans	-85.3	-19.5	-171.3	-62.4	-174.5	-164.5	156.7	0	114.3	S201 D203 R220 H221	S201-K205 PolarHBondContact OG-N 2.73Å; D203-K205 HydrophobicContact CB-CG 4.47Å; D203-K205 PolarHBondContact O-N 2.9Å; D203-K205 PolarHBondContact OD1-N 3.07Å; D203-K205 WeakPolarHBondContact OD2-CD 3.33Å; D203-K205 WeakPolarHBondContact OD2-CG 3.05Å; D203-K205 IonicContact OD2-NZ 2.71Å; K205-R220 WeakPolarHBondContact O-CA 3.13Å; K205-H221 WeakPolarHBondContact O-CB 3.35Å; K205-H221 PolarHBondContact O-N 2.67Å
206	L	88.5	Confident	84.8	Confident	25 Å²	25	26 Å²	26	13%	0.131	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	144.2	179.5	-64.8	172.2	0	0	0	110	Y200 S201 W219 R220 L264	Y200-L206 WeakPolarHBondContact CA-O 3.49Å; S201-L206 PolarHBondContact N-O 2.78Å; S201-L206 PolarHBondContact OG-N 3.23Å; S201-L206 PolarHBondContact OG-O 3.44Å; L206-W219 CarbonylContact C-O 3.56Å; L206-W219 WeakPolarHBondContact CA-O 3.26Å; L206-R220 HydrophobicContact CD2-CG 3.83Å; L206-L264 HydrophobicContact CD1-CD1 4.24Å
207	I	90.1	Very high	84.9	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	130.6	169.2	-62.5	168.9	0	0	0	106.4	L159 L169 I183 Y200 M218 W219 H221 Y225	L159-I207 HydrophobicContact CD1-CB 4.47Å; L159-I207 HydrophobicContact CD1-CD1 4.47Å; L159-I207 HydrophobicContact CD1-CG1 4.12Å; L159-I207 HydrophobicContact CD1-CG2 3.68Å; L159-I207 HydrophobicContact CD2-CD1 4.14Å; L159-I207 HydrophobicContact CD2-CG2 4.24Å; L169-I207 HydrophobicContact CD1-CD1 3.92Å; L169-I207 HydrophobicContact CD2-CD1 3.94Å; L169-I207 HydrophobicContact CG-CD1 4.2Å; I183-I207 HydrophobicContact CD1-CD1 4.06Å; I183-I207 HydrophobicContact CD1-CG2 4.21Å; Y200-I207 HydrophobicContact CD1-CG1 3.75Å; Y200-I207 HydrophobicContact CE1-CD1 3.91Å; Y200-I207 HydrophobicContact CE1-CG1 3.6Å; I207-M218 CarbonylContact O-C 3.52Å; I207-M218 WeakPolarHBondContact O-CA 3.34Å; I207-W219 HydrophobicContact CG2-CE3 4.36Å; I207-W219 PolarHBondContact N-O 2.9Å; I207-W219 PolarHBondContact O-N 3.31Å; I207-H221 HydrophobicContact CD1-CB 4.47Å; I207-H221 HydrophobicContact CG1-CB 4.47Å; I207-Y225 HydrophobicContact CD1-CE1 3.85Å
208	A	87.5	Confident	85.1	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	141.9	174.8	0	0	0	0	0	110.4	C198 T199 Q217 M218 F238 F242	C198-A208 VanDerWaalsContact CA-O 3.32Å; C198-A208 WeakPolarHBondContact CA-O 3.17Å; T199-A208 HydrophobicContact CG2-CB 4.12Å; T199-A208 PolarHBondContact N-O 3.25Å; T199-A208 PolarHBondContact O-N 2.77Å; A208-Q217 CarbonylContact C-O 3.48Å; A208-Q217 WeakPolarHBondContact CA-O 2.99Å; A208-M218 HydrophobicContact CB-CG 4.1Å; A208-F238 HydrophobicContact CB-CZ 4.44Å; A208-F242 HydrophobicContact CB-CD2 3.6Å; A208-F242 HydrophobicContact CB-CE1 4.32Å; A208-F242 HydrophobicContact CB-CE2 3.2Å; A208-F242 HydrophobicContact CB-CG 4.32Å; A208-F242 HydrophobicContact CB-CZ 3.63Å
209	A	88	Confident	85.2	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	122.7	172.1	0	0	0	0	0	109.5	V167 T185 P195 A197 Q217 W219	V167-A209 HydrophobicContact CG2-CB 3.78Å; T185-A209 HydrophobicContact CG2-CB 4.1Å; P195-A209 HydrophobicContact CB-CB 4.38Å; A197-A209 WeakPolarHBondContact O-CA 3.47Å; A209-Q217 PolarHBondContact N-O 3.2Å; A209-Q217 PolarHBondContact O-N 2.79Å; A209-W219 HydrophobicContact CB-CH2 3.85Å; A209-W219 HydrophobicContact CB-CZ3 3.59Å
210	G	84.1	Confident	85.3	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	126.8	168.5	0	0	0	0	0	109.9	P195 T196 A197 F238	P195-G210 CarbonylContact C-O 3.5Å; P195-G210 WeakPolarHBondContact CA-O 3.36Å; T196-G210 PolarHBondContact N-O 3.43Å; T196-G210 PolarHBondContact OG1-O 3.07Å; A197-G210 PolarHBondContact N-O 2.89Å; A197-G210 PolarHBondContact O-N 2.81Å; G210-F238 VanDerWaalsContact CA-CB 3.5Å
211	C	86.3	Confident	85.4	Confident	2 Å²	2	31.1 Å²	31.1	1%	0.014	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	154.7	-175.9	-64.3	0	0	0	0	111.6	T185 A193 V194 D213 G214 S215	T185-C211 VanDerWaalsContact CG2-SG 3.57Å; A193-C211 HydrophobicContact CB-CB 3.93Å; V194-C211 CarbonylContact O-C 3.59Å; V194-C211 VanDerWaalsContact O-CA 3.28Å; V194-C211 WeakPolarHBondContact O-CA 3.4Å; C211-D213 WeakPolarHBondContact CB-OD1 3.24Å; C211-D213 PolarHBondContact O-N 3.37Å; C211-G214 WeakPolarHBondContact O-CA 3.17Å; C211-G214 PolarHBondContact O-N 2.83Å; C211-S215 WeakPolarHBondContact CB-O 3.36Å; C211-S215 WeakPolarHBondContact CB-OG 3.14Å; C211-S215 PolarHBondContact N-O 2.77Å
212	A	81.7	Confident	85.6	Confident	62 Å²	62	34.2 Å²	34.2	51%	0.512	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-20.3	179.4	0	0	0	0	0	113.1	V194 T196 G214	V194-A212 HydrophobicContact CB-CB 4.28Å; V194-A212 PolarHBondContact O-N 2.75Å; T196-A212 HydrophobicContact CG2-CB 3.96Å; A212-G214 PolarHBondContact O-N 2.75Å
213	D	78.8	Confident	86	Confident	66 Å²	66	35.5 Å²	35.5	35%	0.353	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-2.2	170.6	68.2	-14.8	0	0	0	112.8	T187 C211 S215	T187-D213 WeakPolarHBondContact CA-OD2 3.44Å; T187-D213 HydrophobicContact CG2-CB 4.18Å; T187-D213 WeakPolarHBondContact CG2-OD2 3.18Å; C211-D213 WeakPolarHBondContact CB-OD1 3.24Å; C211-D213 PolarHBondContact O-N 3.37Å; D213-S215 VanDerWaalsContact C-N 3.3Å; D213-S215 VanDerWaalsContact CG-OG 3.26Å; D213-S215 WeakPolarHBondContact OD1-CB 2.94Å; D213-S215 PolarHBondContact OD1-N 2.82Å; D213-S215 PolarHBondContact OD1-OG 2.94Å; D213-S215 PolarHBondContact OD2-OG 3.04Å; D213-S215 VanDerWaalsContact OD2-OG 3.13Å
214	G	76.2	Confident	86	Confident	2 Å²	2	39.7 Å²	39.7	2%	0.021	21%	0.213	C	C	.	.	S	Bend	trans	79.3	6.5	-173.6	0	0	0	0	0	113.2	C211 A212 F234	C211-G214 WeakPolarHBondContact O-CA 3.17Å; C211-G214 PolarHBondContact O-N 2.83Å; A212-G214 PolarHBondContact O-N 2.75Å; G214-F234 CarbonylContact C-O 3.56Å; G214-F234 VanDerWaalsContact CA-O 3.24Å; G214-F234 WeakPolarHBondContact CA-O 3.4Å; G214-F234 CarbonylContact O-C 3.53Å; G214-F234 WeakPolarHBondContact O-CA 3.35Å; G214-F234 WeakPolarHBondContact O-CB 3.21Å; G214-F234 PolarHBondContact O-N 3.25Å
215	S	81.2	Confident	86.1	Confident	6 Å²	6	41.1 Å²	41.1	4%	0.042	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	137.2	171.6	66.7	0	0	0	0	111.2	C211 D213 Q217 C232	C211-S215 WeakPolarHBondContact CB-O 3.36Å; C211-S215 WeakPolarHBondContact CB-OG 3.14Å; C211-S215 PolarHBondContact N-O 2.77Å; D213-S215 VanDerWaalsContact C-N 3.3Å; D213-S215 VanDerWaalsContact CG-OG 3.26Å; D213-S215 WeakPolarHBondContact OD1-CB 2.94Å; D213-S215 PolarHBondContact OD1-N 2.82Å; D213-S215 PolarHBondContact OD1-OG 2.94Å; D213-S215 PolarHBondContact OD2-OG 3.04Å; D213-S215 VanDerWaalsContact OD2-OG 3.13Å; S215-Q217 PolarHBondContact OG-NE2 3.19Å; S215-C232 WeakPolarHBondContact CA-O 3.19Å
216	I	83.1	Confident	85.7	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.015	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	112	164.9	-57.9	171	0	0	0	106.9	M218 L231 C232 F238 F249	I216-M218 HydrophobicContact CG2-CE 4.34Å; I216-L231 WeakPolarHBondContact O-CA 3.48Å; I216-C232 HydrophobicContact CB-CB 4.31Å; I216-C232 PolarHBondContact N-O 3.22Å; I216-C232 PolarHBondContact O-N 3.36Å; I216-F238 HydrophobicContact CD1-CD2 3.6Å; I216-F238 HydrophobicContact CD1-CE2 3.98Å; I216-F238 HydrophobicContact CG1-CD2 3.76Å; I216-F238 HydrophobicContact CG1-CE2 4.25Å; I216-F238 HydrophobicContact CG2-CD2 4.32Å; I216-F238 HydrophobicContact CG2-CE2 4Å; I216-F249 HydrophobicContact CD1-CE2 3.7Å; I216-F249 HydrophobicContact CG2-CE2 4.29Å
217	Q	87.3	Confident	85.2	Confident	5 Å²	5	43.7 Å²	43.7	2%	0.023	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	132.9	-176.1	-60.3	-173.1	29	0	0	109.1	K186 A208 A209 S215 W219 T228 L231	K186-Q217 PolarHBondContact O-NE2 3Å; A208-Q217 CarbonylContact C-O 3.48Å; A208-Q217 WeakPolarHBondContact CA-O 2.99Å; A209-Q217 PolarHBondContact N-O 3.2Å; A209-Q217 PolarHBondContact O-N 2.79Å; S215-Q217 PolarHBondContact OG-NE2 3.19Å; Q217-W219 HydrophobicContact CB-CH2 3.29Å; Q217-W219 HydrophobicContact CB-CZ2 3.64Å; Q217-W219 HydrophobicContact CB-CZ3 3.95Å; Q217-W219 HydrophobicContact CG-CH2 4.43Å; Q217-W219 WeakPolarHBondContact O-CZ3 3.42Å; Q217-T228 HydrophobicContact CB-CG2 3.9Å; Q217-T228 HydrophobicContact CG-CG2 4.26Å; Q217-L231 HydrophobicContact CG-CD1 3.73Å
218	M	89	Confident	84.9	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	145.4	178.9	-51.7	-174.8	-148.2	0	0	113	I207 A208 I216 T228 V229 F230 F242 F249 L264	I207-M218 CarbonylContact O-C 3.52Å; I207-M218 WeakPolarHBondContact O-CA 3.34Å; A208-M218 HydrophobicContact CB-CG 4.1Å; I216-M218 HydrophobicContact CG2-CE 4.34Å; M218-T228 CarbonylContact O-C 3.57Å; M218-T228 VanDerWaalsContact O-CA 3.28Å; M218-T228 WeakPolarHBondContact O-CA 3.19Å; M218-V229 PolarHBondContact O-N 3.3Å; M218-F230 HydrophobicContact CB-CB 4.12Å; M218-F230 HydrophobicContact CB-CD2 4.34Å; M218-F230 HydrophobicContact CE-CB 4.09Å; M218-F230 HydrophobicContact CG-CB 4.18Å; M218-F230 PolarHBondContact N-O 2.98Å; M218-F230 HydrophobicContact SD-CB 3.98Å; M218-F230 HydrophobicContact SD-CD2 3.97Å; M218-F230 HydrophobicContact SD-CG 4.36Å; M218-F242 HydrophobicContact CE-CE1 3.79Å; M218-F242 HydrophobicContact CE-CE2 4.47Å; M218-F242 HydrophobicContact CE-CZ 3.32Å; M218-F242 HydrophobicContact CG-CZ 4.2Å; M218-F242 HydrophobicContact SD-CE1 3.52Å; M218-F242 VanDerWaalsContact SD-CE1 3.52Å; M218-F242 HydrophobicContact SD-CZ 3.47Å; M218-F242 WeakPolarHBondContact SD-CZ 2.96Å; M218-F249 HydrophobicContact CE-CD1 3.85Å; M218-F249 HydrophobicContact CE-CE1 3.3Å; M218-F249 HydrophobicContact CE-CE2 4.37Å; M218-F249 HydrophobicContact CE-CZ 3.61Å; M218-L264 HydrophobicContact CE-CD2 3.5Å; M218-L264 VanDerWaalsContact CE-CD2 3.5Å; M218-L264 HydrophobicContact SD-CD2 3.61Å
219	W	91.1	Very high	84.3	Confident	4 Å²	4	48.2 Å²	48.2	2%	0.015	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	151	176	-54.6	-95.5	0	0	0	110.9	I183 T185 L206 I207 A209 Q217 Y225 T228	I183-W219 HydrophobicContact CD1-CD2 4.19Å; I183-W219 HydrophobicContact CD1-CE3 4.13Å; I183-W219 HydrophobicContact CD1-CG 4.35Å; I183-W219 HydrophobicContact CG2-CD2 3.53Å; I183-W219 HydrophobicContact CG2-CE3 3.89Å; I183-W219 HydrophobicContact CG2-CG 4.17Å; I183-W219 HydrophobicContact CG2-CH2 3.7Å; I183-W219 HydrophobicContact CG2-CZ2 3.33Å; I183-W219 HydrophobicContact CG2-CZ3 3.97Å; T185-W219 HydrophobicContact CG2-CH2 3.66Å; T185-W219 HydrophobicContact CG2-CZ2 4.22Å; L206-W219 CarbonylContact C-O 3.56Å; L206-W219 WeakPolarHBondContact CA-O 3.26Å; I207-W219 HydrophobicContact CG2-CE3 4.36Å; I207-W219 PolarHBondContact N-O 2.9Å; I207-W219 PolarHBondContact O-N 3.31Å; A209-W219 HydrophobicContact CB-CH2 3.85Å; A209-W219 HydrophobicContact CB-CZ3 3.59Å; Q217-W219 HydrophobicContact CB-CH2 3.29Å; Q217-W219 HydrophobicContact CB-CZ2 3.64Å; Q217-W219 HydrophobicContact CB-CZ3 3.95Å; Q217-W219 HydrophobicContact CG-CH2 4.43Å; Q217-W219 WeakPolarHBondContact O-CZ3 3.42Å; W219-Y225 HydrophobicContact CB-CD1 3.84Å; W219-Y225 HydrophobicContact CG-CD1 4.39Å; W219-T228 HydrophobicContact CZ2-CG2 3.89Å
220	R	90.5	Very high	83.7	Confident	117 Å²	117	50.7 Å²	50.7	44%	0.442	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	126.7	167.6	-82.6	170.3	-174.1	130.8	-5.6	109.8	K205 L206 K223 Y225 V229	K205-R220 WeakPolarHBondContact O-CA 3.13Å; L206-R220 HydrophobicContact CD2-CG 3.83Å; R220-K223 HydrophobicContact CB-CD 3.94Å; R220-K223 HydrophobicContact CB-CG 4.13Å; R220-K223 PolarHBondContact O-N 3.33Å; R220-Y225 VanDerWaalsContact O-CE1 3.31Å; R220-Y225 WeakPolarHBondContact O-CE1 3.13Å; R220-V229 HydrophobicContact CB-CG2 4.37Å; R220-V229 HydrophobicContact CG-CG2 3.98Å
221	H	90.3	Very high	83.3	Confident	51 Å²	51	54.3 Å²	54.3	24%	0.236	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	142.2	172.4	-174.9	-99.7	0	0	0	111.2	E157 Y200 G204 K205 I207 K223	E157-H221 IonicContact OE1-CD2 3.95Å; E157-H221 IonicContact OE1-CE1 3.82Å; E157-H221 IonicContact OE1-NE2 2.88Å; E157-H221 PolarHBondContact OE1-NE2 2.87Å; E157-H221 IonicContact OE2-CE1 3.78Å; E157-H221 IonicContact OE2-NE2 2.83Å; Y200-H221 AromaticContact CE1-CD2 3.62Å; G204-H221 VanDerWaalsContact O-CB 3.22Å; G204-H221 WeakPolarHBondContact O-CB 3.15Å; K205-H221 WeakPolarHBondContact O-CB 3.35Å; K205-H221 PolarHBondContact O-N 2.67Å; I207-H221 HydrophobicContact CD1-CB 4.47Å; I207-H221 HydrophobicContact CG1-CB 4.47Å; H221-K223 VanDerWaalsContact C-N 3.28Å; H221-K223 PolarHBondContact O-N 3.03Å
222	G	87.4	Confident	82.6	Confident	65 Å²	65	54.2 Å²	54.2	67%	0.67	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	1.6	-180	0	0	0	0	0	115.8	Y225	G222-Y225 PolarHBondContact N-OH 2.83Å
223	K	87.2	Confident	81.6	Confident	128 Å²	128	57 Å²	57	56%	0.557	31%	0.313	S	S	*	.	S	Bend	trans	-99.7	179.4	173.8	-64.2	-162.5	177.4	-170.2	0	111.3	R220 H221 Y225	R220-K223 HydrophobicContact CB-CD 3.94Å; R220-K223 HydrophobicContact CB-CG 4.13Å; R220-K223 PolarHBondContact O-N 3.33Å; H221-K223 VanDerWaalsContact C-N 3.28Å; H221-K223 PolarHBondContact O-N 3.03Å; K223-Y225 WeakPolarHBondContact O-CD2 3.13Å; K223-Y225 WeakPolarHBondContact O-CE2 2.88Å; K223-Y225 PolarHBondContact O-N 2.88Å; K223-Y225 VanDerWaalsContact O-N 3.08Å
224	L	83.7	Confident	80.9	Confident	157 Å²	157	54.6 Å²	54.6	82%	0.822	30%	0.299	S	S	*	.			trans	-69.2	-0.6	-177	-67.1	168	0	0	0	115.1	V226	L224-V226 HydrophobicContact CB-CG2 3.83Å; L224-V226 WeakPolarHBondContact O-CG2 3.35Å; L224-V226 PolarHBondContact O-N 2.53Å
225	Y	88.2	Confident	79.6	Confident	33 Å²	33	59.8 Å²	59.8	13%	0.129	33%	0.33	C	S	.	.			trans	52.5	18.5	-179.4	-50.3	-67.9	0	0	0	116.3	L169 A181 I183 I207 W219 R220 G222 K223	L169-Y225 HydrophobicContact CD2-CE2 4.17Å; L169-Y225 WeakPolarHBondContact CD2-OH 3.28Å; A181-Y225 HydrophobicContact CB-CD2 3.96Å; A181-Y225 HydrophobicContact CB-CE2 3.64Å; I183-Y225 HydrophobicContact CD1-CD1 3.57Å; I183-Y225 HydrophobicContact CD1-CE1 4.04Å; I183-Y225 HydrophobicContact CD1-CG 3.94Å; I183-Y225 HydrophobicContact CG1-CD1 3.98Å; I183-Y225 HydrophobicContact CG1-CD2 4.31Å; I183-Y225 HydrophobicContact CG1-CG 3.79Å; I207-Y225 HydrophobicContact CD1-CE1 3.85Å; W219-Y225 HydrophobicContact CB-CD1 3.84Å; W219-Y225 HydrophobicContact CG-CD1 4.39Å; R220-Y225 VanDerWaalsContact O-CE1 3.31Å; R220-Y225 WeakPolarHBondContact O-CE1 3.13Å; G222-Y225 PolarHBondContact N-OH 2.83Å; K223-Y225 WeakPolarHBondContact O-CD2 3.13Å; K223-Y225 WeakPolarHBondContact O-CE2 2.88Å; K223-Y225 PolarHBondContact O-N 2.88Å; K223-Y225 VanDerWaalsContact O-N 3.08Å
226	V	79	Confident	78.1	Confident	128 Å²	128	60.9 Å²	60.9	78%	0.776	34%	0.338	S	S	*	.			trans	-73.6	-44.4	-174.4	-179	0	0	0	0	112	L224	L224-V226 HydrophobicContact CB-CG2 3.83Å; L224-V226 WeakPolarHBondContact O-CG2 3.35Å; L224-V226 PolarHBondContact O-N 2.53Å
227	S	79.4	Confident	76.4	Confident	88 Å²	88	61.6 Å²	61.6	62%	0.615	34%	0.343	S	S	*	.	S	Bend	trans	-113.4	138.3	-179.3	56.2	0	0	0	0	110.9	V229	S227-V229 PolarHBondContact O-N 2.84Å
228	T	82.1	Confident	74.6	Confident	53 Å²	53	62 Å²	62	33%	0.325	35%	0.345	S	S	.	.			trans	-64.3	129.8	165.1	49.5	0	0	0	0	108.4	Q217 M218 W219	Q217-T228 HydrophobicContact CB-CG2 3.9Å; Q217-T228 HydrophobicContact CG-CG2 4.26Å; M218-T228 CarbonylContact O-C 3.57Å; M218-T228 VanDerWaalsContact O-CA 3.28Å; M218-T228 WeakPolarHBondContact O-CA 3.19Å; W219-T228 HydrophobicContact CZ2-CG2 3.89Å
229	V	75.7	Confident	72.7	Confident	43 Å²	43	62.1 Å²	62.1	26%	0.261	35%	0.346	S	S	.	.	S	Bend	trans	-76.5	-37.3	173.3	-177.9	0	0	0	0	109.8	M218 R220 S227	M218-V229 PolarHBondContact O-N 3.3Å; R220-V229 HydrophobicContact CB-CG2 4.37Å; R220-V229 HydrophobicContact CG-CG2 3.98Å; S227-V229 PolarHBondContact O-N 2.84Å
230	F	74.4	Confident	70.8	Confident	51 Å²	51	63.6 Å²	63.6	22%	0.224	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	137.7	176.9	-57.8	-72.6	0	0	0	109.4	M218 L264 T267	M218-F230 HydrophobicContact CB-CB 4.12Å; M218-F230 HydrophobicContact CB-CD2 4.34Å; M218-F230 HydrophobicContact CE-CB 4.09Å; M218-F230 HydrophobicContact CG-CB 4.18Å; M218-F230 PolarHBondContact N-O 2.98Å; M218-F230 HydrophobicContact SD-CB 3.98Å; M218-F230 HydrophobicContact SD-CD2 3.97Å; M218-F230 HydrophobicContact SD-CG 4.36Å; F230-L264 VanDerWaalsContact CE1-O 3.23Å; F230-L264 WeakPolarHBondContact CE1-O 3.39Å; F230-T267 HydrophobicContact CB-CG2 4.17Å; F230-T267 HydrophobicContact CD1-CG2 3.44Å; F230-T267 VanDerWaalsContact CD1-CG2 3.44Å; F230-T267 HydrophobicContact CE1-CG2 4.06Å; F230-T267 HydrophobicContact CG-CG2 4.03Å
231	L	77	Confident	68.7	Low	77 Å²	77	61.3 Å²	61.3	40%	0.403	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	116	172.8	179.5	70.3	0	0	0	106.7	I216 Q217	I216-L231 WeakPolarHBondContact O-CA 3.48Å; Q217-L231 HydrophobicContact CG-CD1 3.73Å
232	C	71.2	Confident	66.7	Low	0 Å²	0	59.4 Å²	59.4	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	126.7	172.2	-51.4	0	0	0	0	107.2	S215 I216 F249 W262	S215-C232 WeakPolarHBondContact CA-O 3.19Å; I216-C232 HydrophobicContact CB-CB 4.31Å; I216-C232 PolarHBondContact N-O 3.22Å; I216-C232 PolarHBondContact O-N 3.36Å; C232-F249 HydrophobicContact CB-CZ 4.42Å; C232-W262 HydrophobicContact CB-CE3 4.33Å; C232-W262 HydrophobicContact CB-CH2 4.3Å; C232-W262 HydrophobicContact CB-CZ3 4.17Å
233	N	61.7	Low	64.6	Low	121 Å²	121	57.9 Å²	57.9	65%	0.647	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	122.9	177.6	-68.6	-26.9	0	0	0	108.5
234	F	62.7	Low	62.2	Low	15 Å²	15	53.4 Å²	53.4	7%	0.066	29%	0.294	C	S	.	.			trans	-124.1	160	178.2	-166.8	-81.9	0	0	0	109.2	G214 S236 S251 A253 K260 W262	G214-F234 CarbonylContact C-O 3.56Å; G214-F234 VanDerWaalsContact CA-O 3.24Å; G214-F234 WeakPolarHBondContact CA-O 3.4Å; G214-F234 CarbonylContact O-C 3.53Å; G214-F234 WeakPolarHBondContact O-CA 3.35Å; G214-F234 WeakPolarHBondContact O-CB 3.21Å; G214-F234 PolarHBondContact O-N 3.25Å; F234-S236 WeakPolarHBondContact CD1-O 3.35Å; F234-S236 WeakPolarHBondContact CE1-O 3.13Å; F234-S251 WeakPolarHBondContact CE2-OG 3.42Å; F234-A253 VanDerWaalsContact CE1-CA 3.43Å; F234-A253 HydrophobicContact CE1-CB 3.29Å; F234-A253 HydrophobicContact CZ-CB 3.35Å; F234-A253 VanDerWaalsContact CZ-N 3.32Å; F234-K260 HydrophobicContact CD2-CD 3.96Å; F234-K260 HydrophobicContact CE2-CB 4.26Å; F234-K260 HydrophobicContact CE2-CD 3.47Å; F234-K260 VanDerWaalsContact CE2-CD 3.47Å; F234-K260 HydrophobicContact CE2-CG 3.78Å; F234-K260 HydrophobicContact CZ-CD 4.39Å; F234-W262 HydrophobicContact CD2-CZ2 4.18Å
235	V	49	Very low	60.2	Low	110 Å²	110	53.2 Å²	53.2	67%	0.667	29%	0.287	S	S	*	.	S	Bend	trans	-107.4	86.7	173.3	-174.6	0	0	0	0	107.5
236	S	50.7	Low	58.3	Low	30 Å²	30	56 Å²	56	21%	0.21	30%	0.303	C	S	.	.	S	Bend	trans	93.6	138.5	174.6	80.7	0	0	0	0	120.7	F234 A253 G255	F234-S236 WeakPolarHBondContact CD1-O 3.35Å; F234-S236 WeakPolarHBondContact CE1-O 3.13Å; S236-A253 VanDerWaalsContact O-CA 3.3Å; S236-A253 WeakPolarHBondContact O-CA 3.31Å; S236-A253 WeakPolarHBondContact OG-CB 3.46Å; S236-G255 VanDerWaalsContact OG-CA 3.24Å; S236-G255 WeakPolarHBondContact OG-CA 3.46Å; S236-G255 PolarHBondContact OG-N 3.28Å
237	S	46.7	Very low	57.4	Low	18 Å²	18	53.7 Å²	53.7	13%	0.126	28%	0.284	C	S	.	.			trans	36.6	151	171.2	-141.5	0	0	0	0	122	I252 S254	S237-I252 CarbonylContact C-O 3.53Å; S237-S254 VanDerWaalsContact CB-CB 3.45Å
238	F	49.5	Very low	56.5	Low	13 Å²	13	49.7 Å²	49.7	6%	0.057	26%	0.256	C	S	.	.			trans	-131.5	139.6	-176.5	174	-104.1	0	0	0	110.3	A197 T199 A208 G210 I216 F242	A197-F238 HydrophobicContact CB-CD1 3.67Å; A197-F238 HydrophobicContact CB-CE1 4.3Å; T199-F238 HydrophobicContact CG2-CE1 4.31Å; T199-F238 HydrophobicContact CG2-CZ 4.21Å; A208-F238 HydrophobicContact CB-CZ 4.44Å; G210-F238 VanDerWaalsContact CA-CB 3.5Å; I216-F238 HydrophobicContact CD1-CD2 3.6Å; I216-F238 HydrophobicContact CD1-CE2 3.98Å; I216-F238 HydrophobicContact CG1-CD2 3.76Å; I216-F238 HydrophobicContact CG1-CE2 4.25Å; I216-F238 HydrophobicContact CG2-CD2 4.32Å; I216-F238 HydrophobicContact CG2-CE2 4Å; F238-F242 HydrophobicContact CE2-CE2 4.05Å; F238-F242 HydrophobicContact CZ-CD2 4.05Å; F238-F242 AromaticContact CZ-CE2 3.84Å; F238-F242 HydrophobicContact CZ-CE2 3.84Å
239	S	49.3	Very low	55.7	Low	2 Å²	2	47.1 Å²	47.1	1%	0.014	24%	0.24	C	C	.	.			trans	-99.9	153.9	173.9	58.9	0	0	0	0	111.3	Y241 C289	S239-Y241 VanDerWaalsContact C-N 3.31Å; S239-Y241 PolarHBondContact O-N 2.88Å; S239-C289 VanDerWaalsContact CB-SG 3.54Å; S239-C289 PolarHBondContact OG-SG 3.37Å
240	K	50.3	Low	54.9	Low	36 Å²	36	45.2 Å²	45.2	16%	0.157	23%	0.228	C	C	.	.	S	Bend	trans	-74.3	4.9	-158	-56.6	-173.4	-178.3	-167.1	0	117.7	S93 D147 A197 T199	S93-K240 PolarHBondContact OG-NZ 3.47Å; D147-K240 VanDerWaalsContact CG-CE 3.47Å; D147-K240 WeakPolarHBondContact OD1-CE 3.34Å; D147-K240 IonicContact OD1-NZ 3.25Å; D147-K240 PolarHBondContact OD1-NZ 3.34Å; D147-K240 WeakPolarHBondContact OD2-CD 3.47Å; D147-K240 WeakPolarHBondContact OD2-CE 3.22Å; D147-K240 WeakPolarHBondContact OD2-CG 3.27Å; D147-K240 IonicContact OD2-NZ 3.68Å; A197-K240 HydrophobicContact CB-CG 4.33Å; T199-K240 WeakPolarHBondContact CB-O 3.08Å; T199-K240 PolarHBondContact OG1-O 3.04Å
241	Y	48.3	Very low	54.3	Low	68 Å²	68	42.8 Å²	42.8	27%	0.267	22%	0.218	S	C	.	.			trans	-118.8	114	-161.5	-64.9	-85.9	0	0	0	114.5	S239 C289 L290 L341	S239-Y241 VanDerWaalsContact C-N 3.31Å; S239-Y241 PolarHBondContact O-N 2.88Å; Y241-C289 WeakPolarHBondContact CD2-O 3.2Å; Y241-L290 HydrophobicContact CD2-CB 4.43Å; Y241-L290 HydrophobicContact CE2-CB 4.44Å; Y241-L341 WeakPolarHBondContact OH-CD2 3.39Å
242	F	46.9	Very low	53.4	Low	12 Å²	12	39.5 Å²	39.5	5%	0.053	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	125.7	167.5	-105.9	-106.2	0	0	0	111	T199 A208 M218 F238 F249 L264	T199-F242 HydrophobicContact CG2-CB 4.06Å; T199-F242 HydrophobicContact CG2-CD2 3.65Å; T199-F242 HydrophobicContact CG2-CG 4.22Å; A208-F242 HydrophobicContact CB-CD2 3.6Å; A208-F242 HydrophobicContact CB-CE1 4.32Å; A208-F242 HydrophobicContact CB-CE2 3.2Å; A208-F242 HydrophobicContact CB-CG 4.32Å; A208-F242 HydrophobicContact CB-CZ 3.63Å; M218-F242 HydrophobicContact CE-CE1 3.79Å; M218-F242 HydrophobicContact CE-CE2 4.47Å; M218-F242 HydrophobicContact CE-CZ 3.32Å; M218-F242 HydrophobicContact CG-CZ 4.2Å; M218-F242 HydrophobicContact SD-CE1 3.52Å; M218-F242 VanDerWaalsContact SD-CE1 3.52Å; M218-F242 HydrophobicContact SD-CZ 3.47Å; M218-F242 WeakPolarHBondContact SD-CZ 2.96Å; F238-F242 HydrophobicContact CE2-CE2 4.05Å; F238-F242 HydrophobicContact CZ-CD2 4.05Å; F238-F242 AromaticContact CZ-CE2 3.84Å; F238-F242 HydrophobicContact CZ-CE2 3.84Å; F242-F249 HydrophobicContact CD1-CB 3.99Å; F242-F249 HydrophobicContact CD2-CB 4.03Å; F242-F249 HydrophobicContact CD2-CG 4.5Å; F242-F249 HydrophobicContact CE1-CB 3.82Å; F242-F249 AromaticContact CE1-CD1 3.83Å; F242-F249 HydrophobicContact CE1-CD1 3.83Å; F242-F249 AromaticContact CE1-CG 3.87Å; F242-F249 HydrophobicContact CE1-CG 3.87Å; F242-F249 HydrophobicContact CE2-CB 3.82Å; F242-F249 HydrophobicContact CE2-CD1 4.46Å; F242-F249 AromaticContact CE2-CD2 3.92Å; F242-F249 HydrophobicContact CE2-CD2 3.92Å; F242-F249 AromaticContact CE2-CG 3.8Å; F242-F249 HydrophobicContact CE2-CG 3.8Å; F242-F249 HydrophobicContact CG-CB 4.09Å; F242-F249 HydrophobicContact CZ-CB 3.69Å; F242-F249 AromaticContact CZ-CD1 3.63Å; F242-F249 HydrophobicContact CZ-CD1 3.63Å; F242-F249 AromaticContact CZ-CD2 3.84Å; F242-F249 HydrophobicContact CZ-CD2 3.84Å; F242-F249 HydrophobicContact CZ-CE1 4.22Å; F242-F249 HydrophobicContact CZ-CE2 4.4Å; F242-F249 AromaticContact CZ-CG 3.42Å; F242-F249 HydrophobicContact CZ-CG 3.42Å; F242-F249 VanDerWaalsContact CZ-CG 3.42Å; F242-L264 HydrophobicContact CE1-CD2 3.85Å
243	F	43.8	Very low	52.7	Low	33 Å²	33	39.5 Å²	39.5	15%	0.145	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	135.4	166.2	-109.6	-96	0	0	0	110.3	K245 F291 D295	F243-K245 HydrophobicContact CD1-CB 4.38Å; F243-F291 HydrophobicContact CB-CD2 4.36Å; F243-F291 HydrophobicContact CB-CE2 4.5Å; F243-F291 HydrophobicContact CD2-CB 4.26Å; F243-F291 HydrophobicContact CD2-CD2 4.08Å; F243-F291 HydrophobicContact CE2-CB 4.27Å; F243-F291 HydrophobicContact CG-CD2 4.5Å; F243-D295 VanDerWaalsContact CD1-CG 3.48Å; F243-D295 WeakPolarHBondContact CD1-OD1 3.32Å; F243-D295 WeakPolarHBondContact CD1-OD2 3.39Å; F243-D295 WeakPolarHBondContact CE1-OD1 3.11Å; F243-D295 WeakPolarHBondContact CE1-OD2 3.28Å; F243-D295 WeakPolarHBondContact CZ-OD1 3.22Å
244	P	36.8	Very low	52.3	Low	33 Å²	33	34.6 Å²	34.6	21%	0.214	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	4.1	173.3	37.8	-32.2	0	0	0	113.8	R202 D203 I246	R202-P244 HydrophobicContact CB-CG 3.44Å; R202-P244 VanDerWaalsContact CB-CG 3.44Å; D203-P244 HydrophobicContact CB-CG 4.3Å; P244-I246 CarbonylContact C-O 3.46Å; P244-I246 WeakPolarHBondContact CA-O 3.09Å; P244-I246 PolarHBondContact O-N 3.04Å
245	K	40.6	Very low	52	Low	153 Å²	153	37 Å²	37	67%	0.665	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-36.2	175.7	-111.5	-171.3	180	-176.9	0	111.1	F243	F243-K245 HydrophobicContact CD1-CB 4.38Å
246	I	49.6	Very low	52.4	Low	93 Å²	93	35.1 Å²	35.1	48%	0.477	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	139.5	157.8	-70.5	154.1	0	0	0	104.1	P244 A248 R319	P244-I246 CarbonylContact C-O 3.46Å; P244-I246 WeakPolarHBondContact CA-O 3.09Å; P244-I246 PolarHBondContact O-N 3.04Å; I246-A248 HydrophobicContact CG2-CB 4.21Å; I246-A248 PolarHBondContact O-N 3.43Å; I246-R319 VanDerWaalsContact CB-NH2 3.28Å; I246-R319 VanDerWaalsContact CD1-NH1 3.27Å
247	E	58.8	Low	53	Low	78 Å²	78	34.9 Å²	34.9	36%	0.364	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	59.5	-175.7	-76.9	174	-139.4	0	0	111	D263 L264 R265	E247-D263 CarbonylContact O-C 3.53Å; E247-D263 WeakPolarHBondContact O-CA 3.44Å; E247-L264 HydrophobicContact CB-CB 4.11Å; E247-L264 HydrophobicContact CB-CD1 4.23Å; E247-L264 HydrophobicContact CB-CG 4.48Å; E247-L264 WeakPolarHBondContact O-CG 3.35Å; E247-L264 PolarHBondContact O-N 3.11Å; E247-R265 HydrophobicContact CB-CG 4.47Å; E247-R265 IonicContact OE1-CZ 3.33Å; E247-R265 IonicContact OE1-NE 2.73Å; E247-R265 PolarHBondContact OE1-NE 2.85Å; E247-R265 IonicContact OE1-NH2 2.69Å; E247-R265 PolarHBondContact OE1-NH2 2.97Å; E247-R265 WeakPolarHBondContact OE2-CD 3.47Å; E247-R265 WeakPolarHBondContact OE2-CG 3.48Å; E247-R265 IonicContact OE2-CZ 3.48Å; E247-R265 IonicContact OE2-NE 2.92Å; E247-R265 PolarHBondContact OE2-NE 3.45Å; E247-R265 IonicContact OE2-NH2 3.98Å
248	A	61.1	Low	54.1	Low	4 Å²	4	35.2 Å²	35.2	3%	0.033	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	142.4	-170.9	0	0	0	0	0	112.4	I246 L261 W262	I246-A248 HydrophobicContact CG2-CB 4.21Å; I246-A248 PolarHBondContact O-N 3.43Å; A248-L261 HydrophobicContact CB-CD1 4.3Å; A248-W262 CarbonylContact C-O 2.81Å; A248-W262 WeakPolarHBondContact CA-O 3.31Å; A248-W262 WeakPolarHBondContact CB-O 3.45Å
249	F	65	Low	55.1	Low	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	151.2	178.2	66.2	-83.1	0	0	0	110.7	I216 M218 C232 F242 W262 L264	I216-F249 HydrophobicContact CD1-CE2 3.7Å; I216-F249 HydrophobicContact CG2-CE2 4.29Å; M218-F249 HydrophobicContact CE-CD1 3.85Å; M218-F249 HydrophobicContact CE-CE1 3.3Å; M218-F249 HydrophobicContact CE-CE2 4.37Å; M218-F249 HydrophobicContact CE-CZ 3.61Å; C232-F249 HydrophobicContact CB-CZ 4.42Å; F242-F249 HydrophobicContact CD1-CB 3.99Å; F242-F249 HydrophobicContact CD2-CB 4.03Å; F242-F249 HydrophobicContact CD2-CG 4.5Å; F242-F249 HydrophobicContact CE1-CB 3.82Å; F242-F249 AromaticContact CE1-CD1 3.83Å; F242-F249 HydrophobicContact CE1-CD1 3.83Å; F242-F249 AromaticContact CE1-CG 3.87Å; F242-F249 HydrophobicContact CE1-CG 3.87Å; F242-F249 HydrophobicContact CE2-CB 3.82Å; F242-F249 HydrophobicContact CE2-CD1 4.46Å; F242-F249 AromaticContact CE2-CD2 3.92Å; F242-F249 HydrophobicContact CE2-CD2 3.92Å; F242-F249 AromaticContact CE2-CG 3.8Å; F242-F249 HydrophobicContact CE2-CG 3.8Å; F242-F249 HydrophobicContact CG-CB 4.09Å; F242-F249 HydrophobicContact CZ-CB 3.69Å; F242-F249 AromaticContact CZ-CD1 3.63Å; F242-F249 HydrophobicContact CZ-CD1 3.63Å; F242-F249 AromaticContact CZ-CD2 3.84Å; F242-F249 HydrophobicContact CZ-CD2 3.84Å; F242-F249 HydrophobicContact CZ-CE1 4.22Å; F242-F249 HydrophobicContact CZ-CE2 4.4Å; F242-F249 AromaticContact CZ-CG 3.42Å; F242-F249 HydrophobicContact CZ-CG 3.42Å; F242-F249 VanDerWaalsContact CZ-CG 3.42Å; F249-W262 HydrophobicContact CD1-CB 3.67Å; F249-W262 HydrophobicContact CD2-CB 4.09Å; F249-W262 AromaticContact CD2-CD1 3.91Å; F249-W262 HydrophobicContact CD2-CG 4.21Å; F249-W262 HydrophobicContact CE1-CB 3.21Å; F249-W262 AromaticContact CE1-CG 3.89Å; F249-W262 HydrophobicContact CE1-CG 3.89Å; F249-W262 HydrophobicContact CE2-CB 3.66Å; F249-W262 AromaticContact CE2-CD1 3.34Å; F249-W262 HydrophobicContact CE2-CD2 4.3Å; F249-W262 AromaticContact CE2-CG 3.49Å; F249-W262 HydrophobicContact CE2-CG 3.49Å; F249-W262 VanDerWaalsContact CE2-CG 3.49Å; F249-W262 HydrophobicContact CG-CB 4.09Å; F249-W262 HydrophobicContact CZ-CB 3.21Å; F249-W262 AromaticContact CZ-CD1 3.7Å; F249-W262 AromaticContact CZ-CD2 3.95Å; F249-W262 HydrophobicContact CZ-CD2 3.95Å; F249-W262 AromaticContact CZ-CG 3.31Å; F249-W262 HydrophobicContact CZ-CG 3.31Å; F249-W262 PolarHBondContact N-O 2.89Å; F249-W262 PolarHBondContact O-N 3.49Å; F249-L264 HydrophobicContact CD1-CD2 3.55Å; F249-L264 HydrophobicContact CD1-CG 4.21Å; F249-L264 HydrophobicContact CE1-CD2 3.7Å
250	L	60.2	Low	56.3	Low	2 Å²	2	36.6 Å²	36.6	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	147.1	171.9	-74.6	165.3	0	0	0	109.9	M259 K260 L261 F291 C298 F322	L250-M259 HydrophobicContact CD2-CG 4.25Å; L250-M259 HydrophobicContact CD2-SD 4.36Å; L250-K260 WeakPolarHBondContact CA-O 3.26Å; L250-L261 HydrophobicContact CD2-CB 4.08Å; L250-L261 HydrophobicContact CD2-CD1 3.71Å; L250-L261 HydrophobicContact CG-CD1 4.08Å; L250-F291 HydrophobicContact CB-CE2 4.14Å; L250-F291 HydrophobicContact CB-CZ 4.39Å; L250-F291 HydrophobicContact CD1-CD1 3.82Å; L250-F291 HydrophobicContact CD1-CD2 3.66Å; L250-F291 HydrophobicContact CD1-CE1 3.5Å; L250-F291 HydrophobicContact CD1-CE2 3.32Å; L250-F291 HydrophobicContact CD1-CG 3.93Å; L250-F291 HydrophobicContact CD1-CZ 3.28Å; L250-F291 HydrophobicContact CD2-CE1 4.4Å; L250-F291 HydrophobicContact CD2-CZ 3.99Å; L250-F291 HydrophobicContact CG-CD2 4.22Å; L250-F291 HydrophobicContact CG-CE1 3.9Å; L250-F291 HydrophobicContact CG-CE2 3.39Å; L250-F291 HydrophobicContact CG-CZ 3.23Å; L250-C298 HydrophobicContact CD1-CB 4.02Å; L250-F322 HydrophobicContact CD2-CE1 4.24Å; L250-F322 HydrophobicContact CD2-CZ 4.36Å
251	S	60.2	Low	57.6	Low	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	139.9	165.7	63.3	0	0	0	0	109.5	F234 M259 K260 W262	F234-S251 WeakPolarHBondContact CE2-OG 3.42Å; S251-M259 CarbonylContact O-C 3.49Å; S251-M259 WeakPolarHBondContact O-CA 3.33Å; S251-K260 PolarHBondContact N-O 3.45Å; S251-K260 PolarHBondContact O-N 3.36Å; S251-W262 PolarHBondContact OG-NE1 3.34Å
252	I	59.9	Low	58.9	Low	9 Å²	9	32.4 Å²	32.4	5%	0.046	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.4	169.1	-74	-172.9	0	0	0	109.8	S237 S254 M259 C289 T300	S237-I252 CarbonylContact C-O 3.53Å; I252-S254 PolarHBondContact O-N 3.31Å; I252-M259 HydrophobicContact CD1-CB 4.38Å; I252-M259 HydrophobicContact CD1-CG 4.14Å; I252-M259 HydrophobicContact CD1-SD 3.96Å; I252-M259 HydrophobicContact CG1-CB 3.85Å; I252-M259 HydrophobicContact CG1-CG 3.61Å; I252-M259 HydrophobicContact CG1-SD 4.08Å; I252-C289 HydrophobicContact CD1-CB 3.31Å; I252-C289 HydrophobicContact CG1-CB 4.07Å; I252-T300 WeakPolarHBondContact CD1-OG1 3.29Å
253	A	56	Low	60.3	Low	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.192	C	C	.	.			trans	-67.3	126.4	161.6	0	0	0	0	0	111.6	F234 S236 D256 T258	F234-A253 VanDerWaalsContact CE1-CA 3.43Å; F234-A253 HydrophobicContact CE1-CB 3.29Å; F234-A253 HydrophobicContact CZ-CB 3.35Å; F234-A253 VanDerWaalsContact CZ-N 3.32Å; S236-A253 VanDerWaalsContact O-CA 3.3Å; S236-A253 WeakPolarHBondContact O-CA 3.31Å; S236-A253 WeakPolarHBondContact OG-CB 3.46Å; A253-D256 HydrophobicContact CB-CB 4.33Å; A253-D256 WeakPolarHBondContact CB-OD1 3.49Å; A253-T258 WeakPolarHBondContact CB-O 2.95Å; A253-T258 PolarHBondContact N-O 2.94Å
254	S	53.3	Low	61.7	Low	17 Å²	17	32.8 Å²	32.8	12%	0.119	19%	0.188	C	C	.	.	S	Bend	trans	-76.3	-29	162.4	-173.5	0	0	0	0	111.9	S237 I252 N282 N284	S237-S254 VanDerWaalsContact CB-CB 3.45Å; I252-S254 PolarHBondContact O-N 3.31Å; S254-N282 PolarHBondContact OG-O 2.86Å; S254-N284 PolarHBondContact OG-O 3.38Å
255	G	55.4	Low	63.6	Low	65 Å²	65	40 Å²	40	67%	0.67	21%	0.211	S	C	*	.	S	Bend	trans	-91.8	-41.6	-170.5	0	0	0	0	0	114.9	S236	S236-G255 VanDerWaalsContact OG-CA 3.24Å; S236-G255 WeakPolarHBondContact OG-CA 3.46Å; S236-G255 PolarHBondContact OG-N 3.28Å
256	D	57.5	Low	65.3	Low	72 Å²	72	38 Å²	38	39%	0.385	20%	0.202	S	C	.	.	S	Bend	trans	-95.9	-6.1	177.2	73	27.7	0	0	0	113.3	A253 T258	A253-D256 HydrophobicContact CB-CB 4.33Å; A253-D256 WeakPolarHBondContact CB-OD1 3.49Å; D256-T258 PolarHBondContact O-N 3.14Å; D256-T258 WeakPolarHBondContact OD1-CB 3.22Å; D256-T258 VanDerWaalsContact OD1-CG2 3.28Å; D256-T258 WeakPolarHBondContact OD1-CG2 3.42Å; D256-T258 PolarHBondContact OD1-N 3.36Å; D256-T258 PolarHBondContact OD1-OG1 3.21Å
257	G	63.9	Low	66.4	Low	25 Å²	25	35 Å²	35	26%	0.258	19%	0.188	S	C	.	.			trans	69.9	9	178.2	0	0	0	0	0	114.8
258	T	68.8	Low	67.1	Low	25 Å²	25	40.5 Å²	40.5	15%	0.153	21%	0.211	C	C	.	.			trans	-87.2	140	179	68.9	0	0	0	0	111.9	A253 D256 F274	A253-T258 WeakPolarHBondContact CB-O 2.95Å; A253-T258 PolarHBondContact N-O 2.94Å; D256-T258 PolarHBondContact O-N 3.14Å; D256-T258 WeakPolarHBondContact OD1-CB 3.22Å; D256-T258 VanDerWaalsContact OD1-CG2 3.28Å; D256-T258 WeakPolarHBondContact OD1-CG2 3.42Å; D256-T258 PolarHBondContact OD1-N 3.36Å; D256-T258 PolarHBondContact OD1-OG1 3.21Å; T258-F274 WeakPolarHBondContact CG2-O 3.35Å
259	M	72	Confident	67.9	Low	5 Å²	5	45.4 Å²	45.4	3%	0.025	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	132.2	164	-175.1	171	65.8	0	0	107.8	L250 S251 I252 F274 C289 C298 F317 F322	L250-M259 HydrophobicContact CD2-CG 4.25Å; L250-M259 HydrophobicContact CD2-SD 4.36Å; S251-M259 CarbonylContact O-C 3.49Å; S251-M259 WeakPolarHBondContact O-CA 3.33Å; I252-M259 HydrophobicContact CD1-CB 4.38Å; I252-M259 HydrophobicContact CD1-CG 4.14Å; I252-M259 HydrophobicContact CD1-SD 3.96Å; I252-M259 HydrophobicContact CG1-CB 3.85Å; I252-M259 HydrophobicContact CG1-CG 3.61Å; I252-M259 HydrophobicContact CG1-SD 4.08Å; M259-F274 HydrophobicContact CB-CB 4.3Å; M259-F274 WeakPolarHBondContact O-CB 3.47Å; M259-F274 PolarHBondContact O-N 2.85Å; M259-C289 HydrophobicContact SD-CB 4.48Å; M259-C298 HydrophobicContact CE-CB 4.11Å; M259-C298 HydrophobicContact SD-CB 4.48Å; M259-F317 HydrophobicContact CE-CB 4.45Å; M259-F317 HydrophobicContact CE-CD2 3.73Å; M259-F317 HydrophobicContact CE-CE2 4.26Å; M259-F317 HydrophobicContact CE-CG 4.17Å; M259-F322 HydrophobicContact CE-CD1 4.21Å; M259-F322 HydrophobicContact CE-CE1 4.12Å
260	K	73.6	Confident	68.4	Low	39 Å²	39	46.8 Å²	46.8	17%	0.17	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	139.9	-179.7	-56	-171	173.7	-133.1	0	110.2	F234 L250 S251 W262 P270 L272 D273	F234-K260 HydrophobicContact CD2-CD 3.96Å; F234-K260 HydrophobicContact CE2-CB 4.26Å; F234-K260 HydrophobicContact CE2-CD 3.47Å; F234-K260 VanDerWaalsContact CE2-CD 3.47Å; F234-K260 HydrophobicContact CE2-CG 3.78Å; F234-K260 HydrophobicContact CZ-CD 4.39Å; L250-K260 WeakPolarHBondContact CA-O 3.26Å; S251-K260 PolarHBondContact N-O 3.45Å; S251-K260 PolarHBondContact O-N 3.36Å; K260-W262 HydrophobicContact CD-CZ2 4.18Å; K260-P270 HydrophobicContact CB-CB 4.08Å; K260-P270 HydrophobicContact CD-CB 4.26Å; K260-P270 HydrophobicContact CD-CG 4.14Å; K260-L272 WeakPolarHBondContact CA-O 3.46Å; K260-D273 WeakPolarHBondContact CD-OD1 3.44Å; K260-D273 WeakPolarHBondContact CE-OD1 3.44Å; K260-D273 WeakPolarHBondContact CG-OD1 3.49Å; K260-D273 IonicContact NZ-OD1 2.94Å; K260-D273 PolarHBondContact NZ-OD1 3.43Å; K260-D273 IonicContact NZ-OD2 3.95Å; K260-D273 PolarHBondContact NZ-OD2 3.12Å
261	L	77.3	Confident	69.1	Low	8 Å²	8	50.8 Å²	50.8	4%	0.042	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	132.9	170.5	-178.3	70.6	0	0	0	109.6	A248 L250 P270 I271 L272 F291 F322	A248-L261 HydrophobicContact CB-CD1 4.3Å; L250-L261 HydrophobicContact CD2-CB 4.08Å; L250-L261 HydrophobicContact CD2-CD1 3.71Å; L250-L261 HydrophobicContact CG-CD1 4.08Å; L261-P270 CarbonylContact O-C 3.51Å; L261-P270 WeakPolarHBondContact O-CA 3.44Å; L261-I271 HydrophobicContact CD2-CD1 4.04Å; L261-I271 HydrophobicContact CG-CD1 4.17Å; L261-I271 PolarHBondContact O-N 3.18Å; L261-L272 HydrophobicContact CB-CB 4.43Å; L261-L272 HydrophobicContact CD2-CD1 4.37Å; L261-L272 PolarHBondContact N-O 3.34Å; L261-F291 HydrophobicContact CD1-CE1 4.42Å; L261-F291 HydrophobicContact CD1-CZ 3.69Å; L261-F322 HydrophobicContact CB-CE1 4.25Å; L261-F322 HydrophobicContact CB-CE2 3.98Å; L261-F322 HydrophobicContact CB-CZ 3.43Å; L261-F322 VanDerWaalsContact CB-CZ 3.43Å; L261-F322 HydrophobicContact CD1-CZ 4.39Å; L261-F322 HydrophobicContact CD2-CE2 3.61Å; L261-F322 HydrophobicContact CD2-CZ 3.61Å; L261-F322 HydrophobicContact CG-CE2 4.38Å; L261-F322 HydrophobicContact CG-CZ 3.97Å
262	W	75.5	Confident	69.5	Low	8 Å²	8	53.6 Å²	53.6	3%	0.03	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	143.3	-177.5	-64.3	88.8	0	0	0	111.1	C232 F234 A248 F249 S251 K260 P270	C232-W262 HydrophobicContact CB-CE3 4.33Å; C232-W262 HydrophobicContact CB-CH2 4.3Å; C232-W262 HydrophobicContact CB-CZ3 4.17Å; F234-W262 HydrophobicContact CD2-CZ2 4.18Å; A248-W262 CarbonylContact C-O 2.81Å; A248-W262 WeakPolarHBondContact CA-O 3.31Å; A248-W262 WeakPolarHBondContact CB-O 3.45Å; F249-W262 HydrophobicContact CD1-CB 3.67Å; F249-W262 HydrophobicContact CD2-CB 4.09Å; F249-W262 AromaticContact CD2-CD1 3.91Å; F249-W262 HydrophobicContact CD2-CG 4.21Å; F249-W262 HydrophobicContact CE1-CB 3.21Å; F249-W262 AromaticContact CE1-CG 3.89Å; F249-W262 HydrophobicContact CE1-CG 3.89Å; F249-W262 HydrophobicContact CE2-CB 3.66Å; F249-W262 AromaticContact CE2-CD1 3.34Å; F249-W262 HydrophobicContact CE2-CD2 4.3Å; F249-W262 AromaticContact CE2-CG 3.49Å; F249-W262 HydrophobicContact CE2-CG 3.49Å; F249-W262 VanDerWaalsContact CE2-CG 3.49Å; F249-W262 HydrophobicContact CG-CB 4.09Å; F249-W262 HydrophobicContact CZ-CB 3.21Å; F249-W262 AromaticContact CZ-CD1 3.7Å; F249-W262 AromaticContact CZ-CD2 3.95Å; F249-W262 HydrophobicContact CZ-CD2 3.95Å; F249-W262 AromaticContact CZ-CG 3.31Å; F249-W262 HydrophobicContact CZ-CG 3.31Å; F249-W262 PolarHBondContact N-O 2.89Å; F249-W262 PolarHBondContact O-N 3.49Å; S251-W262 PolarHBondContact OG-NE1 3.34Å; K260-W262 HydrophobicContact CD-CZ2 4.18Å; W262-P270 HydrophobicContact CD2-CB 4.12Å; W262-P270 HydrophobicContact CE3-CB 4.21Å; W262-P270 HydrophobicContact CH2-CB 4.23Å; W262-P270 HydrophobicContact CH2-CG 4.27Å; W262-P270 HydrophobicContact CZ2-CB 4.12Å; W262-P270 HydrophobicContact CZ2-CG 4.42Å; W262-P270 HydrophobicContact CZ3-CB 4.28Å
263	D	76.4	Confident	69.8	Low	41 Å²	41	57.1 Å²	57.1	22%	0.219	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	132.1	165.7	-162.2	-30.8	0	0	0	108.8	E247 R265 K266 T267 I271	E247-D263 CarbonylContact O-C 3.53Å; E247-D263 WeakPolarHBondContact O-CA 3.44Å; D263-R265 PolarHBondContact O-N 2.98Å; D263-R265 VanDerWaalsContact OD1-CB 3.31Å; D263-R265 WeakPolarHBondContact OD1-CB 3.48Å; D263-R265 WeakPolarHBondContact OD1-CG 3.39Å; D263-R265 PolarHBondContact OD1-N 3.29Å; D263-K266 HydrophobicContact CB-CB 4.27Å; D263-K266 CarbonylContact O-C 3.55Å; D263-K266 PolarHBondContact O-N 2.96Å; D263-K266 VanDerWaalsContact O-O 3.14Å; D263-T267 PolarHBondContact O-N 2.81Å; D263-I271 HydrophobicContact CB-CD1 3.65Å; D263-I271 HydrophobicContact CB-CG1 3.81Å
264	L	73.6	Confident	70.2	Confident	12 Å²	12	58.7 Å²	58.7	6%	0.063	30%	0.303	C	S	.	.	S	Bend	trans	-68	-21.1	173.6	-60	170.7	0	0	0	111.9	L206 M218 F230 F242 E247 F249 T267	L206-L264 HydrophobicContact CD1-CD1 4.24Å; M218-L264 HydrophobicContact CE-CD2 3.5Å; M218-L264 VanDerWaalsContact CE-CD2 3.5Å; M218-L264 HydrophobicContact SD-CD2 3.61Å; F230-L264 VanDerWaalsContact CE1-O 3.23Å; F230-L264 WeakPolarHBondContact CE1-O 3.39Å; F242-L264 HydrophobicContact CE1-CD2 3.85Å; E247-L264 HydrophobicContact CB-CB 4.11Å; E247-L264 HydrophobicContact CB-CD1 4.23Å; E247-L264 HydrophobicContact CB-CG 4.48Å; E247-L264 WeakPolarHBondContact O-CG 3.35Å; E247-L264 PolarHBondContact O-N 3.11Å; F249-L264 HydrophobicContact CD1-CD2 3.55Å; F249-L264 HydrophobicContact CD1-CG 4.21Å; F249-L264 HydrophobicContact CE1-CD2 3.7Å; L264-T267 WeakPolarHBondContact O-CG2 3.44Å
265	R	77.4	Confident	70.3	Confident	184 Å²	184	64.3 Å²	64.3	69%	0.694	33%	0.331	S	S	*	.	S	Bend	trans	-76.3	-31.4	173.3	-58.6	176.7	177.3	169	3.5	111.7	E247 D263	E247-R265 HydrophobicContact CB-CG 4.47Å; E247-R265 IonicContact OE1-CZ 3.33Å; E247-R265 IonicContact OE1-NE 2.73Å; E247-R265 PolarHBondContact OE1-NE 2.85Å; E247-R265 IonicContact OE1-NH2 2.69Å; E247-R265 PolarHBondContact OE1-NH2 2.97Å; E247-R265 WeakPolarHBondContact OE2-CD 3.47Å; E247-R265 WeakPolarHBondContact OE2-CG 3.48Å; E247-R265 IonicContact OE2-CZ 3.48Å; E247-R265 IonicContact OE2-NE 2.92Å; E247-R265 PolarHBondContact OE2-NE 3.45Å; E247-R265 IonicContact OE2-NH2 3.98Å; D263-R265 PolarHBondContact O-N 2.98Å; D263-R265 VanDerWaalsContact OD1-CB 3.31Å; D263-R265 WeakPolarHBondContact OD1-CB 3.48Å; D263-R265 WeakPolarHBondContact OD1-CG 3.39Å; D263-R265 PolarHBondContact OD1-N 3.29Å
266	K	76.7	Confident	70.1	Confident	111 Å²	111	66.2 Å²	66.2	48%	0.483	33%	0.331	S	S	.	.			trans	-126.6	77.2	-178	-166.6	-171.1	175.8	-161.1	0	110.1	D263 K268 E269	D263-K266 HydrophobicContact CB-CB 4.27Å; D263-K266 CarbonylContact O-C 3.55Å; D263-K266 PolarHBondContact O-N 2.96Å; D263-K266 VanDerWaalsContact O-O 3.14Å; K266-K268 VanDerWaalsContact C-N 3.33Å; K266-K268 PolarHBondContact O-N 3.43Å; K266-E269 WeakPolarHBondContact CE-OE2 3.42Å; K266-E269 IonicContact NZ-OE2 2.99Å; K266-E269 PolarHBondContact NZ-OE2 3.46Å; K266-E269 VanDerWaalsContact O-O 3.05Å
267	T	71.2	Confident	69.7	Low	30 Å²	30	73 Å²	73	18%	0.184	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-4.6	-175.5	59.7	0	0	0	0	115.2	F230 D263 L264	F230-T267 HydrophobicContact CB-CG2 4.17Å; F230-T267 HydrophobicContact CD1-CG2 3.44Å; F230-T267 VanDerWaalsContact CD1-CG2 3.44Å; F230-T267 HydrophobicContact CE1-CG2 4.06Å; F230-T267 HydrophobicContact CG-CG2 4.03Å; D263-T267 PolarHBondContact O-N 2.81Å; L264-T267 WeakPolarHBondContact O-CG2 3.44Å
268	K	75.1	Confident	69.3	Low	193 Å²	193	73.1 Å²	73.1	84%	0.839	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-32.6	-179	-69.5	-171.8	178.5	-177.8	0	112.6	K266	K266-K268 VanDerWaalsContact C-N 3.33Å; K266-K268 PolarHBondContact O-N 3.43Å
269	E	77.4	Confident	68.2	Low	108 Å²	108	74 Å²	74	51%	0.505	35%	0.354	S	S	.	.	S	Bend	trans	-136.2	139.6	-175.4	-69.1	168.8	-179.9	0	0	108.4	K266	K266-E269 WeakPolarHBondContact CE-OE2 3.42Å; K266-E269 IonicContact NZ-OE2 2.99Å; K266-E269 PolarHBondContact NZ-OE2 3.46Å; K266-E269 VanDerWaalsContact O-O 3.05Å
270	P	74.5	Confident	66.9	Low	28 Å²	28	77.5 Å²	77.5	18%	0.182	38%	0.376	C	S	.	.			trans	-62.6	147	169	27.7	-31.6	0	0	0	109.4	K260 L261 W262 D273	K260-P270 HydrophobicContact CB-CB 4.08Å; K260-P270 HydrophobicContact CD-CB 4.26Å; K260-P270 HydrophobicContact CD-CG 4.14Å; L261-P270 CarbonylContact O-C 3.51Å; L261-P270 WeakPolarHBondContact O-CA 3.44Å; W262-P270 HydrophobicContact CD2-CB 4.12Å; W262-P270 HydrophobicContact CE3-CB 4.21Å; W262-P270 HydrophobicContact CH2-CB 4.23Å; W262-P270 HydrophobicContact CH2-CG 4.27Å; W262-P270 HydrophobicContact CZ2-CB 4.12Å; W262-P270 HydrophobicContact CZ2-CG 4.42Å; W262-P270 HydrophobicContact CZ3-CB 4.28Å; P270-D273 WeakPolarHBondContact CB-OD1 3.47Å; P270-D273 VanDerWaalsContact CG-CG 3.42Å; P270-D273 WeakPolarHBondContact CG-OD1 3.33Å
271	I	74.8	Confident	65.8	Low	87 Å²	87	75.9 Å²	75.9	45%	0.446	37%	0.368	S	S	.	.	S	Bend	trans	-65.1	-48.7	173.9	-51.8	176.3	0	0	0	108.6	L261 D263	L261-I271 HydrophobicContact CD2-CD1 4.04Å; L261-I271 HydrophobicContact CG-CD1 4.17Å; L261-I271 PolarHBondContact O-N 3.18Å; D263-I271 HydrophobicContact CB-CD1 3.65Å; D263-I271 HydrophobicContact CB-CG1 3.81Å
272	L	69.5	Low	64.5	Low	59 Å²	59	76.2 Å²	76.2	31%	0.309	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	124.9	-173.9	-75.8	138.5	0	0	0	108.6	K260 L261 F322	K260-L272 WeakPolarHBondContact CA-O 3.46Å; L261-L272 HydrophobicContact CB-CB 4.43Å; L261-L272 HydrophobicContact CD2-CD1 4.37Å; L261-L272 PolarHBondContact N-O 3.34Å; L272-F322 HydrophobicContact CB-CD2 3.61Å; L272-F322 HydrophobicContact CB-CE2 3.62Å; L272-F322 HydrophobicContact CB-CG 4.23Å; L272-F322 HydrophobicContact CB-CZ 4.31Å; L272-F322 HydrophobicContact CD1-CD2 3.35Å; L272-F322 HydrophobicContact CD1-CE2 3.26Å; L272-F322 HydrophobicContact CD1-CZ 4.49Å; L272-F322 HydrophobicContact CD2-CD2 3.97Å; L272-F322 HydrophobicContact CG-CD2 3.75Å; L272-F322 HydrophobicContact CG-CE2 3.9Å
273	D	67	Low	63.2	Low	82 Å²	82	81.6 Å²	81.6	44%	0.439	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	119.3	176.2	-91.1	-10	0	0	0	109.1	K260 P270 L275	K260-D273 WeakPolarHBondContact CD-OD1 3.44Å; K260-D273 WeakPolarHBondContact CE-OD1 3.44Å; K260-D273 WeakPolarHBondContact CG-OD1 3.49Å; K260-D273 IonicContact NZ-OD1 2.94Å; K260-D273 PolarHBondContact NZ-OD1 3.43Å; K260-D273 IonicContact NZ-OD2 3.95Å; K260-D273 PolarHBondContact NZ-OD2 3.12Å; P270-D273 WeakPolarHBondContact CB-OD1 3.47Å; P270-D273 VanDerWaalsContact CG-CG 3.42Å; P270-D273 WeakPolarHBondContact CG-OD1 3.33Å; D273-L275 PolarHBondContact O-N 2.73Å
274	F	63.9	Low	62.1	Low	34 Å²	34	82.9 Å²	82.9	15%	0.149	41%	0.406	C	S	.	.			trans	-70.6	116.5	174.3	-163.5	-83.1	0	0	0	110.5	T258 M259 I278 F317	T258-F274 WeakPolarHBondContact CG2-O 3.35Å; M259-F274 HydrophobicContact CB-CB 4.3Å; M259-F274 WeakPolarHBondContact O-CB 3.47Å; M259-F274 PolarHBondContact O-N 2.85Å; F274-I278 HydrophobicContact CD1-CD1 3.57Å; F274-I278 HydrophobicContact CD1-CG1 4.11Å; F274-I278 HydrophobicContact CD2-CD1 4.24Å; F274-I278 HydrophobicContact CE1-CB 3.91Å; F274-I278 HydrophobicContact CE1-CD1 3.09Å; F274-I278 HydrophobicContact CE1-CG1 3.19Å; F274-I278 HydrophobicContact CE2-CD1 3.82Å; F274-I278 HydrophobicContact CE2-CG1 4.36Å; F274-I278 HydrophobicContact CG-CD1 4.14Å; F274-I278 HydrophobicContact CZ-CB 4.5Å; F274-I278 HydrophobicContact CZ-CD1 3.24Å; F274-I278 HydrophobicContact CZ-CG1 3.35Å; F274-F317 HydrophobicContact CD2-CE1 4.4Å; F274-F317 HydrophobicContact CE2-CD1 4.01Å; F274-F317 AromaticContact CE2-CE1 3.41Å; F274-F317 HydrophobicContact CE2-CE1 3.41Å; F274-F317 VanDerWaalsContact CE2-CE1 3.41Å; F274-F317 AromaticContact CE2-CZ 3.84Å; F274-F317 HydrophobicContact CE2-CZ 3.84Å; F274-F317 AromaticContact CZ-CE1 3.92Å; F274-F317 HydrophobicContact CZ-CE1 3.92Å; F274-F317 HydrophobicContact CZ-CZ 4.13Å
275	L	54.1	Low	61.1	Low	135 Å²	135	90.7 Å²	90.7	71%	0.707	44%	0.44	S	S	*	.			trans	-80.9	157.9	176.9	-76.9	169.3	0	0	0	111.7	D273 Y277	D273-L275 PolarHBondContact O-N 2.73Å; L275-Y277 PolarHBondContact O-N 2.75Å
276	P	51.3	Low	60.4	Low	104 Å²	104	84.1 Å²	84.1	68%	0.675	42%	0.422	S	S	*	.	S	Bend	trans	-66.6	10.9	-147.9	-18.5	30.6	0	0	0	118.9	I278	P276-I278 VanDerWaalsContact C-N 3.27Å; P276-I278 PolarHBondContact O-N 3.17Å
277	Y	50.4	Low	59.9	Low	216 Å²	216	79.5 Å²	79.5	85%	0.847	40%	0.403	S	S	*	.			trans	-84.5	17.2	-171.3	-77.6	-81.7	0	0	0	115.1	L275 P279	L275-Y277 PolarHBondContact O-N 2.75Å; Y277-P279 WeakPolarHBondContact O-CD 3.35Å
278	I	54.4	Low	59.8	Low	26 Å²	26	78.4 Å²	78.4	13%	0.133	40%	0.396	C	S	.	.	S	Bend	trans	-99.2	92.8	157.7	-66.2	161.6	0	0	0	105.9	F274 P276 T280 I281 L315 F317	F274-I278 HydrophobicContact CD1-CD1 3.57Å; F274-I278 HydrophobicContact CD1-CG1 4.11Å; F274-I278 HydrophobicContact CD2-CD1 4.24Å; F274-I278 HydrophobicContact CE1-CB 3.91Å; F274-I278 HydrophobicContact CE1-CD1 3.09Å; F274-I278 HydrophobicContact CE1-CG1 3.19Å; F274-I278 HydrophobicContact CE2-CD1 3.82Å; F274-I278 HydrophobicContact CE2-CG1 4.36Å; F274-I278 HydrophobicContact CG-CD1 4.14Å; F274-I278 HydrophobicContact CZ-CB 4.5Å; F274-I278 HydrophobicContact CZ-CD1 3.24Å; F274-I278 HydrophobicContact CZ-CG1 3.35Å; P276-I278 VanDerWaalsContact C-N 3.27Å; P276-I278 PolarHBondContact O-N 3.17Å; I278-T280 PolarHBondContact O-N 3.42Å; I278-I281 HydrophobicContact CG2-CB 4.25Å; I278-I281 HydrophobicContact CG2-CD1 3.39Å; I278-I281 HydrophobicContact CG2-CG1 3.67Å; I278-L315 HydrophobicContact CD1-CD1 4.14Å; I278-L315 HydrophobicContact CG1-CD1 4.02Å; I278-L315 HydrophobicContact CG2-CD1 4Å; I278-F317 HydrophobicContact CD1-CE1 4.48Å; I278-F317 HydrophobicContact CD1-CE2 4.14Å; I278-F317 HydrophobicContact CD1-CZ 3.59Å; I278-F317 HydrophobicContact CG1-CZ 4.18Å
279	P	46.6	Very low	59.7	Low	44 Å²	44	69.2 Å²	69.2	29%	0.286	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	96.1	-165.6	24.6	-34.4	0	0	0	112.1	Y277 I281	Y277-P279 WeakPolarHBondContact O-CD 3.35Å; P279-I281 HydrophobicContact CG-CD1 4.36Å; P279-I281 WeakPolarHBondContact O-CG1 3.41Å
280	T	44	Very low	59.5	Low	79 Å²	79	64.4 Å²	64.4	49%	0.485	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	37.9	159.9	53.9	0	0	0	0	117.3	I278 I306	I278-T280 PolarHBondContact O-N 3.42Å; T280-I306 HydrophobicContact CG2-CD1 4.39Å
281	I	50	Low	59.6	Low	4 Å²	4	63.6 Å²	63.6	2%	0.021	33%	0.328	C	S	.	.			trans	-109.5	29.4	-156.6	-22	172.8	0	0	0	119.2	I278 P279 T302 S303 R305	I278-I281 HydrophobicContact CG2-CB 4.25Å; I278-I281 HydrophobicContact CG2-CD1 3.39Å; I278-I281 HydrophobicContact CG2-CG1 3.67Å; P279-I281 HydrophobicContact CG-CD1 4.36Å; P279-I281 WeakPolarHBondContact O-CG1 3.41Å; I281-T302 HydrophobicContact CB-CG2 4.21Å; I281-T302 HydrophobicContact CD1-CG2 3.92Å; I281-T302 VanDerWaalsContact CG2-CB 3.46Å; I281-T302 HydrophobicContact CG2-CG2 4.43Å; I281-S303 VanDerWaalsContact CG2-C 3.46Å; I281-S303 VanDerWaalsContact CG2-N 3.33Å; I281-S303 WeakPolarHBondContact CG2-O 3.2Å; I281-S303 PolarHBondContact O-N 2.96Å; I281-S303 PolarHBondContact O-OG 2.91Å; I281-R305 HydrophobicContact CD1-CG 4.23Å; I281-R305 HydrophobicContact CG1-CG 4.38Å; I281-R305 HydrophobicContact CG2-CG 4.32Å
282	N	51.2	Low	59.8	Low	15 Å²	15	59.6 Å²	59.6	8%	0.08	31%	0.307	C	S	.	.			trans	-141.1	68	165.6	-78.2	-39.2	0	0	0	113.3	S254 N284 T287 S303	S254-N282 PolarHBondContact OG-O 2.86Å; N282-N284 PolarHBondContact O-N 3Å; N282-T287 WeakPolarHBondContact OD1-CB 3.32Å; N282-T287 VanDerWaalsContact OD1-CG2 3.22Å; N282-T287 WeakPolarHBondContact OD1-CG2 3.47Å; N282-T287 PolarHBondContact OD1-OG1 2.67Å; N282-S303 PolarHBondContact N-OG 2.76Å
283	L	48.2	Very low	60	Low	121 Å²	121	58 Å²	58	63%	0.634	30%	0.3	S	S	*	.			trans	-61.8	-7	173.8	-78.6	163.9	0	0	0	114.4	S303	L283-S303 PolarHBondContact N-OG 3.24Å
284	N	52.7	Low	60.3	Low	68 Å²	68	61 Å²	61	36%	0.364	31%	0.31	S	S	.	.	S	Bend	trans	-123.9	131.8	-176	-84.4	-33.8	0	0	0	111.1	S254 N282 S286 M336	S254-N284 PolarHBondContact OG-O 3.38Å; N282-N284 PolarHBondContact O-N 3Å; N284-S286 PolarHBondContact O-N 3.37Å; N284-M336 HydrophobicContact CB-CE 3.29Å; N284-M336 HydrophobicContact CB-SD 3.89Å; N284-M336 PolarHBondContact ND2-SD 2.89Å
285	F	52	Low	60.8	Low	176 Å²	176	60 Å²	60	77%	0.772	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-3.7	-176.9	-61	-80.5	0	0	0	115.7
286	S	63.3	Low	62	Low	46 Å²	46	57 Å²	57	32%	0.322	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	11.4	-168.4	75.2	0	0	0	0	114.8	N284 H339	N284-S286 PolarHBondContact O-N 3.37Å; S286-H339 PolarHBondContact O-CE1 3.13Å; S286-H339 VanDerWaalsContact O-CE1 3.28Å
287	T	65.9	Low	63.3	Low	14 Å²	14	52.6 Å²	52.6	9%	0.086	26%	0.261	C	S	.	.			trans	-75.6	126.2	178.9	-53.8	0	0	0	0	111.1	N282 G301 A338	N282-T287 WeakPolarHBondContact OD1-CB 3.32Å; N282-T287 VanDerWaalsContact OD1-CG2 3.22Å; N282-T287 WeakPolarHBondContact OD1-CG2 3.47Å; N282-T287 PolarHBondContact OD1-OG1 2.67Å; T287-G301 VanDerWaalsContact CG2-O 3.27Å; T287-G301 WeakPolarHBondContact CG2-O 2.94Å; T287-A338 WeakPolarHBondContact CA-O 3.34Å
288	D	69.9	Low	64.6	Low	8 Å²	8	42.3 Å²	42.3	4%	0.043	22%	0.22	C	C	.	.			trans	-85.6	154.3	174.4	-68.4	-26.1	0	0	0	112.7	A338 H339	D288-A338 PolarHBondContact N-O 3.19Å; D288-H339 IonicContact OD1-ND1 3.75Å; D288-H339 WeakPolarHBondContact OD2-CA 3.29Å; D288-H339 IonicContact OD2-CE1 2.74Å; D288-H339 IonicContact OD2-CG 3.92Å; D288-H339 IonicContact OD2-ND1 3.78Å; D288-H339 PolarHBondContact OD2-ND1 3.23Å
289	C	72.8	Confident	65.7	Low	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	153.3	153.4	59.8	0	0	0	0	110.7	S239 Y241 I252 M259 V299	S239-C289 VanDerWaalsContact CB-SG 3.54Å; S239-C289 PolarHBondContact OG-SG 3.37Å; Y241-C289 WeakPolarHBondContact CD2-O 3.2Å; I252-C289 HydrophobicContact CD1-CB 3.31Å; I252-C289 HydrophobicContact CG1-CB 4.07Å; M259-C289 HydrophobicContact SD-CB 4.48Å; C289-V299 CarbonylContact C-O 3.55Å; C289-V299 WeakPolarHBondContact CA-O 3.39Å; C289-V299 VanDerWaalsContact CB-O 3.29Å; C289-V299 WeakPolarHBondContact CB-O 3.5Å
290	L	74.1	Confident	67.1	Low	6 Å²	6	39.2 Å²	39.2	3%	0.031	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	159	178	59.7	83.2	0	0	0	110.6	Y241 V299 I340 W342	Y241-L290 HydrophobicContact CD2-CB 4.43Å; Y241-L290 HydrophobicContact CE2-CB 4.44Å; L290-V299 HydrophobicContact CD1-CB 3.7Å; L290-V299 HydrophobicContact CD1-CG2 3.72Å; L290-V299 HydrophobicContact CG-CB 4.1Å; L290-V299 PolarHBondContact N-O 2.62Å; L290-V299 PolarHBondContact O-N 2.97Å; L290-I340 HydrophobicContact CD2-CB 3.71Å; L290-I340 HydrophobicContact CD2-CG2 3.34Å; L290-I340 WeakPolarHBondContact CD2-O 3.45Å; L290-I340 HydrophobicContact CG-CB 4.5Å; L290-I340 HydrophobicContact CG-CG2 4.14Å; L290-W342 HydrophobicContact CD1-CB 3.79Å; L290-W342 HydrophobicContact CD1-CD2 4.4Å; L290-W342 HydrophobicContact CD1-CE3 3.68Å; L290-W342 HydrophobicContact CD2-CB 4.08Å
291	F	75.3	Confident	68.6	Low	12 Å²	12	35.5 Å²	35.5	5%	0.053	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	150.7	161.9	-74.8	-75.7	0	0	0	110	F243 L250 L261 F297 C298 R319	F243-F291 HydrophobicContact CB-CD2 4.36Å; F243-F291 HydrophobicContact CB-CE2 4.5Å; F243-F291 HydrophobicContact CD2-CB 4.26Å; F243-F291 HydrophobicContact CD2-CD2 4.08Å; F243-F291 HydrophobicContact CE2-CB 4.27Å; F243-F291 HydrophobicContact CG-CD2 4.5Å; L250-F291 HydrophobicContact CB-CE2 4.14Å; L250-F291 HydrophobicContact CB-CZ 4.39Å; L250-F291 HydrophobicContact CD1-CD1 3.82Å; L250-F291 HydrophobicContact CD1-CD2 3.66Å; L250-F291 HydrophobicContact CD1-CE1 3.5Å; L250-F291 HydrophobicContact CD1-CE2 3.32Å; L250-F291 HydrophobicContact CD1-CG 3.93Å; L250-F291 HydrophobicContact CD1-CZ 3.28Å; L250-F291 HydrophobicContact CD2-CE1 4.4Å; L250-F291 HydrophobicContact CD2-CZ 3.99Å; L250-F291 HydrophobicContact CG-CD2 4.22Å; L250-F291 HydrophobicContact CG-CE1 3.9Å; L250-F291 HydrophobicContact CG-CE2 3.39Å; L250-F291 HydrophobicContact CG-CZ 3.23Å; L261-F291 HydrophobicContact CD1-CE1 4.42Å; L261-F291 HydrophobicContact CD1-CZ 3.69Å; F291-F297 CarbonylContact C-O 3.51Å; F291-F297 WeakPolarHBondContact CA-O 3.22Å; F291-C298 WeakPolarHBondContact CE1-SG 3.45Å; F291-R319 HydrophobicContact CE1-CG 4.12Å
292	S	78.7	Confident	69.8	Low	3 Å²	3	35.4 Å²	35.4	2%	0.021	18%	0.178	C	C	.	.			trans	-58.9	151.6	164.2	75.9	0	0	0	0	109.5	K294 D295 D296 F297	S292-K294 PolarHBondContact O-N 2.77Å; S292-D295 WeakPolarHBondContact O-CA 3.21Å; S292-D295 PolarHBondContact O-N 2.94Å; S292-D295 PolarHBondContact OG-N 2.77Å; S292-D296 PolarHBondContact OG-N 3.13Å; S292-F297 PolarHBondContact N-O 2.83Å; S292-F297 PolarHBondContact OG-N 2.9Å; S292-F297 VanDerWaalsContact OG-N 3.11Å
293	P	73.4	Confident	70.6	Confident	24 Å²	24	34.9 Å²	34.9	16%	0.156	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.1	-176.8	-20.2	27.4	0	0	0	114.8	W342 Y343 E344	P293-W342 VanDerWaalsContact CD-CD2 3.47Å; P293-W342 VanDerWaalsContact CD-CG 3.47Å; P293-W342 HydrophobicContact CG-CB 4.45Å; P293-W342 HydrophobicContact CG-CD2 4.34Å; P293-W342 HydrophobicContact CG-CG 3.87Å; P293-Y343 WeakPolarHBondContact CG-O 3.1Å; P293-E344 HydrophobicContact CB-CB 4.23Å; P293-E344 HydrophobicContact CB-CG 3.69Å
294	K	73.4	Confident	71.4	Confident	147 Å²	147	29.8 Å²	29.8	64%	0.639	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-5.6	174.4	-67.8	-169.4	178.6	-169.4	0	113.8	S292 D296	S292-K294 PolarHBondContact O-N 2.77Å; K294-D296 VanDerWaalsContact C-N 3.3Å; K294-D296 VanDerWaalsContact CB-OD2 3.22Å; K294-D296 WeakPolarHBondContact CB-OD2 3.31Å
295	D	76.3	Confident	71.8	Confident	11 Å²	11	29.4 Å²	29.4	6%	0.059	15%	0.145	C	C	.	.	S	Bend	trans	63.7	30.1	-174.3	-54.9	-32.3	0	0	0	114.2	F243 S292 R319	F243-D295 VanDerWaalsContact CD1-CG 3.48Å; F243-D295 WeakPolarHBondContact CD1-OD1 3.32Å; F243-D295 WeakPolarHBondContact CD1-OD2 3.39Å; F243-D295 WeakPolarHBondContact CE1-OD1 3.11Å; F243-D295 WeakPolarHBondContact CE1-OD2 3.28Å; F243-D295 WeakPolarHBondContact CZ-OD1 3.22Å; S292-D295 WeakPolarHBondContact O-CA 3.21Å; S292-D295 PolarHBondContact O-N 2.94Å; S292-D295 PolarHBondContact OG-N 2.77Å; D295-R319 WeakPolarHBondContact O-CD 3.47Å; D295-R319 PolarHBondContact O-NH1 2.92Å; D295-R319 VanDerWaalsContact O-NH1 3.07Å
296	D	78.2	Confident	72	Confident	72 Å²	72	26.4 Å²	26.4	39%	0.385	14%	0.135	S	C	.	.	S	Bend	trans	-93.6	-32.5	179.3	-58	-30.7	0	0	0	111.5	S292 K294 R319	S292-D296 PolarHBondContact OG-N 3.13Å; K294-D296 VanDerWaalsContact C-N 3.3Å; K294-D296 VanDerWaalsContact CB-OD2 3.22Å; K294-D296 WeakPolarHBondContact CB-OD2 3.31Å; D296-R319 WeakPolarHBondContact O-CB 3.04Å; D296-R319 PolarHBondContact O-N 3.17Å; D296-R319 VanDerWaalsContact O-N 3.08Å
297	F	78.4	Confident	71.8	Confident	13 Å²	13	29.4 Å²	29.4	6%	0.057	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	149.6	-175.7	-50.1	-64.3	0	0	0	112	T28 F291 S292 F317 I325 W342	T28-F297 WeakPolarHBondContact OG1-CE2 3.34Å; T28-F297 WeakPolarHBondContact OG1-CZ 3.2Å; F291-F297 CarbonylContact C-O 3.51Å; F291-F297 WeakPolarHBondContact CA-O 3.22Å; S292-F297 PolarHBondContact N-O 2.83Å; S292-F297 PolarHBondContact OG-N 2.9Å; S292-F297 VanDerWaalsContact OG-N 3.11Å; F297-F317 CarbonylContact C-O 3.56Å; F297-F317 VanDerWaalsContact CA-O 3.27Å; F297-F317 WeakPolarHBondContact CA-O 3.46Å; F297-I325 HydrophobicContact CD1-CD1 3.28Å; F297-I325 HydrophobicContact CE1-CD1 3.31Å; F297-W342 HydrophobicContact CB-CZ3 4.48Å; F297-W342 AromaticContact CD2-CH2 3.97Å; F297-W342 HydrophobicContact CD2-CH2 3.97Å
298	C	77.9	Confident	71.3	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	132	165.5	-50.9	0	0	0	0	108.7	L250 M259 F291 F316 F317	L250-C298 HydrophobicContact CD1-CB 4.02Å; M259-C298 HydrophobicContact CE-CB 4.11Å; M259-C298 HydrophobicContact SD-CB 4.48Å; F291-C298 WeakPolarHBondContact CE1-SG 3.45Å; C298-F316 WeakPolarHBondContact O-CA 3.49Å; C298-F317 HydrophobicContact CB-CB 4.26Å; C298-F317 PolarHBondContact N-O 3.31Å; C298-F317 PolarHBondContact O-N 2.83Å
299	V	78.1	Confident	70.9	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132.1	179.9	-169.6	0	0	0	0	109.3	C289 L290 L314 L315 F316 I340 W342 F350	C289-V299 CarbonylContact C-O 3.55Å; C289-V299 WeakPolarHBondContact CA-O 3.39Å; C289-V299 VanDerWaalsContact CB-O 3.29Å; C289-V299 WeakPolarHBondContact CB-O 3.5Å; L290-V299 HydrophobicContact CD1-CB 3.7Å; L290-V299 HydrophobicContact CD1-CG2 3.72Å; L290-V299 HydrophobicContact CG-CB 4.1Å; L290-V299 PolarHBondContact N-O 2.62Å; L290-V299 PolarHBondContact O-N 2.97Å; V299-L314 HydrophobicContact CG1-CD1 3.56Å; V299-L314 HydrophobicContact CG1-CD2 4.11Å; V299-L314 HydrophobicContact CG1-CG 3.81Å; V299-L315 WeakPolarHBondContact CA-O 3.42Å; V299-F316 HydrophobicContact CB-CD1 4.42Å; V299-F316 HydrophobicContact CB-CE1 4.48Å; V299-F316 HydrophobicContact CG1-CD1 4.21Å; V299-F316 HydrophobicContact CG1-CE1 4Å; V299-F316 HydrophobicContact CG1-CZ 4.33Å; V299-F316 HydrophobicContact CG2-CD1 3.48Å; V299-F316 VanDerWaalsContact CG2-CD1 3.48Å; V299-F316 HydrophobicContact CG2-CE1 3.6Å; V299-F316 HydrophobicContact CG2-CG 4.43Å; V299-I340 HydrophobicContact CG1-CD1 4.32Å; V299-I340 HydrophobicContact CG1-CG2 4.44Å; V299-W342 HydrophobicContact CG2-CE3 3.68Å; V299-W342 HydrophobicContact CG2-CZ3 3.46Å; V299-W342 VanDerWaalsContact CG2-CZ3 3.46Å; V299-F350 HydrophobicContact CG1-CE1 4.33Å
300	T	76.7	Confident	70.2	Confident	5 Å²	5	44.3 Å²	44.3	3%	0.031	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	145.7	173.7	-171.9	0	0	0	0	111.1	I252 L315 F317	I252-T300 WeakPolarHBondContact CD1-OG1 3.29Å; T300-L315 HydrophobicContact CG2-CB 4.07Å; T300-L315 HydrophobicContact CG2-CD1 4.46Å; T300-L315 PolarHBondContact N-O 2.8Å; T300-L315 PolarHBondContact O-N 3Å; T300-F317 HydrophobicContact CG2-CD2 4.35Å; T300-F317 HydrophobicContact CG2-CE2 3.78Å
301	G	74.5	Confident	69.8	Low	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	153.3	174.9	0	0	0	0	0	110	T287	T287-G301 VanDerWaalsContact CG2-O 3.27Å; T287-G301 WeakPolarHBondContact CG2-O 2.94Å
302	T	74.2	Confident	69.6	Low	2 Å²	2	45.2 Å²	45.2	1%	0.012	24%	0.236	C	C	.	.			trans	-122.7	147.8	174.2	74.2	0	0	0	0	110.6	I281 S313 L315 L337	I281-T302 HydrophobicContact CB-CG2 4.21Å; I281-T302 HydrophobicContact CD1-CG2 3.92Å; I281-T302 VanDerWaalsContact CG2-CB 3.46Å; I281-T302 HydrophobicContact CG2-CG2 4.43Å; T302-S313 VanDerWaalsContact CB-O 3.32Å; T302-S313 WeakPolarHBondContact CB-O 3.31Å; T302-S313 WeakPolarHBondContact CG2-O 3.23Å; T302-S313 PolarHBondContact N-O 3.26Å; T302-S313 WeakPolarHBondContact OG1-CA 3.33Å; T302-S313 PolarHBondContact OG1-N 2.96Å; T302-S313 PolarHBondContact OG1-O 3.19Å; T302-S313 PolarHBondContact OG1-OG 2.8Å; T302-S313 VanDerWaalsContact OG1-OG 3.13Å; T302-L315 HydrophobicContact CG2-CD1 3.41Å; T302-L315 VanDerWaalsContact CG2-CD1 3.41Å; T302-L315 HydrophobicContact CG2-CG 3.74Å; T302-L337 PolarHBondContact O-N 2.93Å; T302-L337 VanDerWaalsContact O-N 3.13Å
303	S	69.5	Low	69.5	Low	5 Å²	5	45.1 Å²	45.1	4%	0.035	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-80.8	177.4	170	58.4	0	0	0	0	113.4	I281 N282 L283 R305	I281-S303 VanDerWaalsContact CG2-C 3.46Å; I281-S303 VanDerWaalsContact CG2-N 3.33Å; I281-S303 WeakPolarHBondContact CG2-O 3.2Å; I281-S303 PolarHBondContact O-N 2.96Å; I281-S303 PolarHBondContact O-OG 2.91Å; N282-S303 PolarHBondContact N-OG 2.76Å; L283-S303 PolarHBondContact N-OG 3.24Å; S303-R305 PolarHBondContact O-N 3.24Å
304	A	65.3	Low	69.8	Low	13 Å²	13	44 Å²	44	11%	0.107	23%	0.229	C	C	.	.			trans	-61.7	134.4	174.4	0	0	0	0	0	110.4	S335	A304-S335 VanDerWaalsContact CB-O 3.3Å; A304-S335 WeakPolarHBondContact CB-O 3.48Å; A304-S335 PolarHBondContact N-O 2.8Å
305	R	60.2	Low	70.1	Confident	60 Å²	60	37.2 Å²	37.2	23%	0.226	20%	0.199	C	C	.	.			trans	-69.4	144.8	176	-64.8	-173.5	-178.6	169.4	7.5	110.1	I281 S303 D307 R309 E327	I281-R305 HydrophobicContact CD1-CG 4.23Å; I281-R305 HydrophobicContact CG1-CG 4.38Å; I281-R305 HydrophobicContact CG2-CG 4.32Å; S303-R305 PolarHBondContact O-N 3.24Å; R305-D307 HydrophobicContact CB-CB 4.45Å; R305-D307 PolarHBondContact O-N 3.2Å; R305-R309 PolarHBondContact N-O 3.05Å; R305-E327 IonicContact NH2-OE1 3.27Å; R305-E327 PolarHBondContact NH2-OE1 2.96Å
306	I	55.9	Low	70.4	Confident	113 Å²	113	36.7 Å²	36.7	58%	0.579	20%	0.197	S	C	*	.	S	Bend	trans	-64.4	-20.2	175.2	-62.8	173.1	0	0	0	111.1	T280 G308	T280-I306 HydrophobicContact CG2-CD1 4.39Å; I306-G308 PolarHBondContact O-N 3.29Å
307	D	58.6	Low	70.5	Confident	109 Å²	109	33.4 Å²	33.4	58%	0.583	18%	0.179	S	C	*	.	S	Bend	trans	-68.1	23.5	-177	-54.5	-23	0	0	0	115.4	R305 R309	R305-D307 HydrophobicContact CB-CB 4.45Å; R305-D307 PolarHBondContact O-N 3.2Å; D307-R309 PolarHBondContact O-N 3.45Å
308	G	57	Low	70.7	Confident	67 Å²	67	34.7 Å²	34.7	69%	0.691	19%	0.186	S	C	*	.	S	Bend	trans	70.1	-3.8	-179.1	0	0	0	0	0	114.6	I306 N310	I306-G308 PolarHBondContact O-N 3.29Å; G308-N310 PolarHBondContact O-N 2.99Å
309	R	59.7	Low	70.6	Confident	174 Å²	174	36.2 Å²	36.2	66%	0.657	19%	0.192	S	C	*	.			trans	-89	101.2	171.9	-65.6	-174.7	-176.4	178.4	2.9	109.3	R305 D307 V311	R305-R309 PolarHBondContact N-O 3.05Å; D307-R309 PolarHBondContact O-N 3.45Å; R309-V311 PolarHBondContact O-N 3.28Å
310	N	59	Low	70.6	Confident	95 Å²	95	42.1 Å²	42.1	51%	0.508	22%	0.223	S	C	.	.			trans	-74.4	48.1	175.9	-76	-26.6	0	0	0	112.9	G308 S332	G308-N310 PolarHBondContact O-N 2.99Å; N310-S332 CarbonylContact O-C 3.51Å; N310-S332 WeakPolarHBondContact O-CA 3.35Å; N310-S332 VanDerWaalsContact O-O 3.05Å
311	V	66.2	Low	70.7	Confident	36 Å²	36	44.6 Å²	44.6	22%	0.218	24%	0.241	C	C	.	.			trans	-114	111.1	-176.2	-178.4	0	0	0	0	107.4	R309 E329 F330	R309-V311 PolarHBondContact O-N 3.28Å; V311-E329 HydrophobicContact CG1-CB 4.03Å; V311-E329 HydrophobicContact CG1-CG 4.43Å; V311-F330 VanDerWaalsContact CG1-O 3.26Å; V311-F330 WeakPolarHBondContact CG1-O 3.27Å
312	G	71.5	Confident	70.7	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.246	C	C	.	.			trans	-75.4	134.9	162.5	0	0	0	0	0	109.2	F330 V334	G312-F330 WeakPolarHBondContact O-CB 2.95Å; G312-F330 WeakPolarHBondContact O-CD2 3.18Å; G312-F330 PolarHBondContact O-N 2.84Å; G312-V334 PolarHBondContact N-O 3.23Å
313	S	75.7	Confident	71	Confident	2 Å²	2	52 Å²	52	1%	0.014	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	152.5	174	70.1	0	0	0	0	111.7	T302 E327 I328 L337	T302-S313 VanDerWaalsContact CB-O 3.32Å; T302-S313 WeakPolarHBondContact CB-O 3.31Å; T302-S313 WeakPolarHBondContact CG2-O 3.23Å; T302-S313 PolarHBondContact N-O 3.26Å; T302-S313 WeakPolarHBondContact OG1-CA 3.33Å; T302-S313 PolarHBondContact OG1-N 2.96Å; T302-S313 PolarHBondContact OG1-O 3.19Å; T302-S313 PolarHBondContact OG1-OG 2.8Å; T302-S313 VanDerWaalsContact OG1-OG 3.13Å; S313-E327 WeakPolarHBondContact CB-OE1 3.23Å; S313-E327 PolarHBondContact OG-OE1 2.76Å; S313-I328 CarbonylContact C-O 3.55Å; S313-I328 VanDerWaalsContact CA-O 3.31Å; S313-I328 WeakPolarHBondContact CA-O 3.22Å; S313-L337 WeakPolarHBondContact O-CD1 2.94Å
314	L	79.4	Confident	71.5	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	125.5	171.9	178.8	88.9	0	0	0	108.4	V299 F316 E327 I328 F330 L337 I340 F350	V299-L314 HydrophobicContact CG1-CD1 3.56Å; V299-L314 HydrophobicContact CG1-CD2 4.11Å; V299-L314 HydrophobicContact CG1-CG 3.81Å; L314-F316 HydrophobicContact CD2-CD2 4.34Å; L314-F316 HydrophobicContact CD2-CE1 4.43Å; L314-F316 HydrophobicContact CD2-CE2 3.35Å; L314-F316 HydrophobicContact CD2-CZ 3.4Å; L314-F316 HydrophobicContact CG-CE2 4.08Å; L314-F316 HydrophobicContact CG-CZ 4.37Å; L314-E327 WeakPolarHBondContact O-CA 3.43Å; L314-I328 HydrophobicContact CB-CB 4.25Å; L314-I328 HydrophobicContact CD2-CB 4.46Å; L314-I328 HydrophobicContact CD2-CD1 4.09Å; L314-I328 PolarHBondContact N-O 3.23Å; L314-I328 PolarHBondContact O-N 3.31Å; L314-F330 HydrophobicContact CB-CE2 3.84Å; L314-L337 HydrophobicContact CB-CD1 3.73Å; L314-L337 HydrophobicContact CD1-CD1 4.19Å; L314-I340 HydrophobicContact CD1-CD1 3.37Å; L314-I340 HydrophobicContact CD1-CG1 4.04Å; L314-I340 HydrophobicContact CD1-CG2 4.45Å; L314-F350 HydrophobicContact CD1-CD1 3.41Å; L314-F350 VanDerWaalsContact CD1-CD1 3.41Å; L314-F350 HydrophobicContact CD1-CE1 3.46Å; L314-F350 VanDerWaalsContact CD1-CE1 3.46Å; L314-F350 HydrophobicContact CD1-CG 4.46Å; L314-F350 HydrophobicContact CD1-CZ 4.47Å; L314-F350 HydrophobicContact CD2-CD1 3.39Å; L314-F350 HydrophobicContact CD2-CD2 4.17Å; L314-F350 HydrophobicContact CD2-CE1 2.96Å; L314-F350 HydrophobicContact CD2-CE2 3.75Å; L314-F350 HydrophobicContact CD2-CG 4Å; L314-F350 HydrophobicContact CD2-CZ 3.13Å; L314-F350 HydrophobicContact CG-CD1 3.98Å; L314-F350 HydrophobicContact CG-CE1 3.79Å; L314-F350 HydrophobicContact CG-CZ 4.37Å
315	L	80.5	Confident	72.4	Confident	5 Å²	5	59.1 Å²	59.1	3%	0.026	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	132.6	-174.9	-57.2	175.6	0	0	0	109.9	I278 V299 T300 T302 F317 K324 E327	I278-L315 HydrophobicContact CD1-CD1 4.14Å; I278-L315 HydrophobicContact CG1-CD1 4.02Å; I278-L315 HydrophobicContact CG2-CD1 4Å; V299-L315 WeakPolarHBondContact CA-O 3.42Å; T300-L315 HydrophobicContact CG2-CB 4.07Å; T300-L315 HydrophobicContact CG2-CD1 4.46Å; T300-L315 PolarHBondContact N-O 2.8Å; T300-L315 PolarHBondContact O-N 3Å; T302-L315 HydrophobicContact CG2-CD1 3.41Å; T302-L315 VanDerWaalsContact CG2-CD1 3.41Å; T302-L315 HydrophobicContact CG2-CG 3.74Å; L315-F317 HydrophobicContact CB-CD2 4.27Å; L315-F317 HydrophobicContact CB-CE2 3.46Å; L315-F317 VanDerWaalsContact CB-CE2 3.46Å; L315-F317 HydrophobicContact CB-CZ 3.86Å; L315-F317 HydrophobicContact CD1-CE2 4.09Å; L315-F317 HydrophobicContact CD1-CZ 3.92Å; L315-F317 HydrophobicContact CG-CE2 4.42Å; L315-F317 HydrophobicContact CG-CZ 4.47Å; L315-K324 HydrophobicContact CD2-CD 4Å; L315-E327 HydrophobicContact CD2-CB 4.09Å; L315-E327 HydrophobicContact CD2-CG 3.7Å
316	F	82	Confident	73.5	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.4	170.7	-62.5	-98.5	0	0	0	109	I29 C298 V299 L314 I325 Y326 I328 W342 F350	I29-F316 HydrophobicContact CD1-CB 4.4Å; I29-F316 HydrophobicContact CD1-CD1 4.14Å; I29-F316 HydrophobicContact CD1-CD2 4.49Å; I29-F316 HydrophobicContact CD1-CG 4.11Å; I29-F316 HydrophobicContact CG2-CD1 4.23Å; I29-F316 HydrophobicContact CG2-CE1 3.63Å; I29-F316 HydrophobicContact CG2-CE2 4.16Å; I29-F316 HydrophobicContact CG2-CZ 3.58Å; C298-F316 WeakPolarHBondContact O-CA 3.49Å; V299-F316 HydrophobicContact CB-CD1 4.42Å; V299-F316 HydrophobicContact CB-CE1 4.48Å; V299-F316 HydrophobicContact CG1-CD1 4.21Å; V299-F316 HydrophobicContact CG1-CE1 4Å; V299-F316 HydrophobicContact CG1-CZ 4.33Å; V299-F316 HydrophobicContact CG2-CD1 3.48Å; V299-F316 VanDerWaalsContact CG2-CD1 3.48Å; V299-F316 HydrophobicContact CG2-CE1 3.6Å; V299-F316 HydrophobicContact CG2-CG 4.43Å; L314-F316 HydrophobicContact CD2-CD2 4.34Å; L314-F316 HydrophobicContact CD2-CE1 4.43Å; L314-F316 HydrophobicContact CD2-CE2 3.35Å; L314-F316 HydrophobicContact CD2-CZ 3.4Å; L314-F316 HydrophobicContact CG-CE2 4.08Å; L314-F316 HydrophobicContact CG-CZ 4.37Å; F316-I325 PolarHBondContact O-N 3.36Å; F316-Y326 HydrophobicContact CD2-CD1 4.12Å; F316-Y326 HydrophobicContact CE2-CD1 4.24Å; F316-Y326 PolarHBondContact N-O 2.81Å; F316-Y326 PolarHBondContact O-N 2.68Å; F316-I328 HydrophobicContact CE2-CD1 3.59Å; F316-I328 HydrophobicContact CE2-CG1 3.93Å; F316-I328 HydrophobicContact CZ-CD1 4.03Å; F316-W342 HydrophobicContact CD1-CZ3 4.26Å; F316-W342 HydrophobicContact CE1-CH2 4.31Å; F316-W342 AromaticContact CE1-CZ3 3.97Å; F316-W342 HydrophobicContact CE1-CZ3 3.97Å; F316-F350 AromaticContact CZ-CZ 3.99Å; F316-F350 HydrophobicContact CZ-CZ 3.99Å
317	F	81	Confident	74.8	Confident	3 Å²	3	56.7 Å²	56.7	1%	0.013	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	143.5	177.2	-64.1	-80.1	0	0	0	109.7	M259 F274 I278 F297 C298 T300 L315 F322 E323 K324	M259-F317 HydrophobicContact CE-CB 4.45Å; M259-F317 HydrophobicContact CE-CD2 3.73Å; M259-F317 HydrophobicContact CE-CE2 4.26Å; M259-F317 HydrophobicContact CE-CG 4.17Å; F274-F317 HydrophobicContact CD2-CE1 4.4Å; F274-F317 HydrophobicContact CE2-CD1 4.01Å; F274-F317 AromaticContact CE2-CE1 3.41Å; F274-F317 HydrophobicContact CE2-CE1 3.41Å; F274-F317 VanDerWaalsContact CE2-CE1 3.41Å; F274-F317 AromaticContact CE2-CZ 3.84Å; F274-F317 HydrophobicContact CE2-CZ 3.84Å; F274-F317 AromaticContact CZ-CE1 3.92Å; F274-F317 HydrophobicContact CZ-CE1 3.92Å; F274-F317 HydrophobicContact CZ-CZ 4.13Å; I278-F317 HydrophobicContact CD1-CE1 4.48Å; I278-F317 HydrophobicContact CD1-CE2 4.14Å; I278-F317 HydrophobicContact CD1-CZ 3.59Å; I278-F317 HydrophobicContact CG1-CZ 4.18Å; F297-F317 CarbonylContact C-O 3.56Å; F297-F317 VanDerWaalsContact CA-O 3.27Å; F297-F317 WeakPolarHBondContact CA-O 3.46Å; C298-F317 HydrophobicContact CB-CB 4.26Å; C298-F317 PolarHBondContact N-O 3.31Å; C298-F317 PolarHBondContact O-N 2.83Å; T300-F317 HydrophobicContact CG2-CD2 4.35Å; T300-F317 HydrophobicContact CG2-CE2 3.78Å; L315-F317 HydrophobicContact CB-CD2 4.27Å; L315-F317 HydrophobicContact CB-CE2 3.46Å; L315-F317 VanDerWaalsContact CB-CE2 3.46Å; L315-F317 HydrophobicContact CB-CZ 3.86Å; L315-F317 HydrophobicContact CD1-CE2 4.09Å; L315-F317 HydrophobicContact CD1-CZ 3.92Å; L315-F317 HydrophobicContact CG-CE2 4.42Å; L315-F317 HydrophobicContact CG-CZ 4.47Å; F317-F322 WeakPolarHBondContact CD1-O 3.28Å; F317-E323 VanDerWaalsContact CA-O 3.32Å; F317-E323 WeakPolarHBondContact CA-O 3.18Å; F317-K324 HydrophobicContact CD1-CB 4.12Å; F317-K324 HydrophobicContact CE1-CB 3.79Å; F317-K324 HydrophobicContact CE1-CG 4.21Å
318	D	82.4	Confident	75.9	Confident	39 Å²	39	52 Å²	52	21%	0.209	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	143.3	164.4	-173.6	40.4	0	0	0	109.2	N320 S321 F322 E323 I325	D318-N320 PolarHBondContact OD2-N 3.39Å; D318-N320 VanDerWaalsContact OD2-N 3.07Å; D318-S321 VanDerWaalsContact CB-OG 3.3Å; D318-S321 WeakPolarHBondContact CB-OG 3.5Å; D318-S321 PolarHBondContact OD2-N 3.44Å; D318-S321 PolarHBondContact OD2-OG 2.86Å; D318-F322 WeakPolarHBondContact O-CA 3.34Å; D318-F322 PolarHBondContact O-N 2.78Å; D318-F322 VanDerWaalsContact O-N 3.14Å; D318-E323 PolarHBondContact N-O 2.82Å; D318-I325 VanDerWaalsContact CA-CD1 3.49Å; D318-I325 HydrophobicContact CB-CD1 3.67Å; D318-I325 HydrophobicContact CB-CG1 4.04Å; D318-I325 VanDerWaalsContact N-CD1 3.32Å
319	R	76.2	Confident	76.9	Confident	32 Å²	32	55 Å²	55	12%	0.121	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-33.2	177.8	175.8	-177.8	168.2	-155	-5.5	112.9	I246 F291 D295 D296 F322	I246-R319 VanDerWaalsContact CB-NH2 3.28Å; I246-R319 VanDerWaalsContact CD1-NH1 3.27Å; F291-R319 HydrophobicContact CE1-CG 4.12Å; D295-R319 WeakPolarHBondContact O-CD 3.47Å; D295-R319 PolarHBondContact O-NH1 2.92Å; D295-R319 VanDerWaalsContact O-NH1 3.07Å; D296-R319 WeakPolarHBondContact O-CB 3.04Å; D296-R319 PolarHBondContact O-N 3.17Å; D296-R319 VanDerWaalsContact O-N 3.08Å; R319-F322 WeakPolarHBondContact O-CD2 3.47Å; R319-F322 WeakPolarHBondContact O-CE2 3.35Å
320	N	77.3	Confident	77.4	Confident	124 Å²	124	46.8 Å²	46.8	66%	0.663	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-47.9	-172.1	-63.9	-38.9	0	0	0	111.1	D318	D318-N320 PolarHBondContact OD2-N 3.39Å; D318-N320 VanDerWaalsContact OD2-N 3.07Å
321	S	78.7	Confident	77.8	Confident	58 Å²	58	45.7 Å²	45.7	41%	0.406	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-20.5	178.7	72.9	0	0	0	0	113.3	D318 E323	D318-S321 VanDerWaalsContact CB-OG 3.3Å; D318-S321 WeakPolarHBondContact CB-OG 3.5Å; D318-S321 PolarHBondContact OD2-N 3.44Å; D318-S321 PolarHBondContact OD2-OG 2.86Å; S321-E323 PolarHBondContact O-N 2.87Å; S321-E323 VanDerWaalsContact O-N 3.12Å; S321-E323 WeakPolarHBondContact OG-CB 3.27Å; S321-E323 PolarHBondContact OG-N 2.75Å
322	F	74.1	Confident	77.4	Confident	20 Å²	20	47.7 Å²	47.7	9%	0.088	24%	0.244	C	C	.	.			trans	55.7	16.9	-169	-79.3	-91.1	0	0	0	114.4	L250 M259 L261 L272 F317 D318 R319	L250-F322 HydrophobicContact CD2-CE1 4.24Å; L250-F322 HydrophobicContact CD2-CZ 4.36Å; M259-F322 HydrophobicContact CE-CD1 4.21Å; M259-F322 HydrophobicContact CE-CE1 4.12Å; L261-F322 HydrophobicContact CB-CE1 4.25Å; L261-F322 HydrophobicContact CB-CE2 3.98Å; L261-F322 HydrophobicContact CB-CZ 3.43Å; L261-F322 VanDerWaalsContact CB-CZ 3.43Å; L261-F322 HydrophobicContact CD1-CZ 4.39Å; L261-F322 HydrophobicContact CD2-CE2 3.61Å; L261-F322 HydrophobicContact CD2-CZ 3.61Å; L261-F322 HydrophobicContact CG-CE2 4.38Å; L261-F322 HydrophobicContact CG-CZ 3.97Å; L272-F322 HydrophobicContact CB-CD2 3.61Å; L272-F322 HydrophobicContact CB-CE2 3.62Å; L272-F322 HydrophobicContact CB-CG 4.23Å; L272-F322 HydrophobicContact CB-CZ 4.31Å; L272-F322 HydrophobicContact CD1-CD2 3.35Å; L272-F322 HydrophobicContact CD1-CE2 3.26Å; L272-F322 HydrophobicContact CD1-CZ 4.49Å; L272-F322 HydrophobicContact CD2-CD2 3.97Å; L272-F322 HydrophobicContact CG-CD2 3.75Å; L272-F322 HydrophobicContact CG-CE2 3.9Å; F317-F322 WeakPolarHBondContact CD1-O 3.28Å; D318-F322 WeakPolarHBondContact O-CA 3.34Å; D318-F322 PolarHBondContact O-N 2.78Å; D318-F322 VanDerWaalsContact O-N 3.14Å; R319-F322 WeakPolarHBondContact O-CD2 3.47Å; R319-F322 WeakPolarHBondContact O-CE2 3.35Å
323	E	80.2	Confident	76.7	Confident	138 Å²	138	51.9 Å²	51.9	65%	0.645	27%	0.267	S	S	*	.			trans	-75	144.8	173.4	-66.2	-177.7	162.4	0	0	110.2	F317 D318 S321 I325	F317-E323 VanDerWaalsContact CA-O 3.32Å; F317-E323 WeakPolarHBondContact CA-O 3.18Å; D318-E323 PolarHBondContact N-O 2.82Å; S321-E323 PolarHBondContact O-N 2.87Å; S321-E323 VanDerWaalsContact O-N 3.12Å; S321-E323 WeakPolarHBondContact OG-CB 3.27Å; S321-E323 PolarHBondContact OG-N 2.75Å; E323-I325 PolarHBondContact O-N 3.22Å; E323-I325 VanDerWaalsContact O-N 3.16Å
324	K	81.8	Confident	75.9	Confident	114 Å²	114	52.1 Å²	52.1	50%	0.496	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	111.1	175.1	-172.4	-174.8	75.6	173	0	108.6	L315 F317 E327	L315-K324 HydrophobicContact CD2-CD 4Å; F317-K324 HydrophobicContact CD1-CB 4.12Å; F317-K324 HydrophobicContact CE1-CB 3.79Å; F317-K324 HydrophobicContact CE1-CG 4.21Å; K324-E327 HydrophobicContact CD-CB 4.36Å; K324-E327 IonicContact NZ-OE2 3.76Å; K324-E327 PolarHBondContact NZ-OE2 2.78Å
325	I	84.2	Confident	74.7	Confident	53 Å²	53	53.3 Å²	53.3	27%	0.272	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-45.3	177.5	-60	167.2	0	0	0	110.2	V26 F297 F316 D318 E323	V26-I325 HydrophobicContact CG2-CG2 4.11Å; F297-I325 HydrophobicContact CD1-CD1 3.28Å; F297-I325 HydrophobicContact CE1-CD1 3.31Å; F316-I325 PolarHBondContact O-N 3.36Å; D318-I325 VanDerWaalsContact CA-CD1 3.49Å; D318-I325 HydrophobicContact CB-CD1 3.67Å; D318-I325 HydrophobicContact CB-CG1 4.04Å; D318-I325 VanDerWaalsContact N-CD1 3.32Å; E323-I325 PolarHBondContact O-N 3.22Å; E323-I325 VanDerWaalsContact O-N 3.16Å
326	Y	83.1	Confident	73.6	Confident	81 Å²	81	53.8 Å²	53.8	32%	0.318	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	148.9	-169.8	-158.2	-112.4	0	0	0	111.7	V26 I29 I31 F316 I328	V26-Y326 HydrophobicContact CG1-CD2 4.31Å; V26-Y326 HydrophobicContact CG1-CE2 4.37Å; I29-Y326 HydrophobicContact CD1-CD1 4.26Å; I29-Y326 HydrophobicContact CD1-CG 4.16Å; I31-Y326 HydrophobicContact CD1-CE1 4.14Å; I31-Y326 HydrophobicContact CG2-CE1 4.33Å; F316-Y326 HydrophobicContact CD2-CD1 4.12Å; F316-Y326 HydrophobicContact CE2-CD1 4.24Å; F316-Y326 PolarHBondContact N-O 2.81Å; F316-Y326 PolarHBondContact O-N 2.68Å; Y326-I328 HydrophobicContact CD1-CD1 4.4Å; Y326-I328 HydrophobicContact CD1-CG1 3.86Å; Y326-I328 HydrophobicContact CE1-CD1 4.18Å; Y326-I328 HydrophobicContact CE1-CG1 3.6Å
327	E	83.2	Confident	72.5	Confident	41 Å²	41	53.8 Å²	53.8	19%	0.192	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	127.8	177.1	178.6	163.5	-161.6	0	0	109.3	R305 S313 L314 L315 K324 E329	R305-E327 IonicContact NH2-OE1 3.27Å; R305-E327 PolarHBondContact NH2-OE1 2.96Å; S313-E327 WeakPolarHBondContact CB-OE1 3.23Å; S313-E327 PolarHBondContact OG-OE1 2.76Å; L314-E327 WeakPolarHBondContact O-CA 3.43Å; L315-E327 HydrophobicContact CD2-CB 4.09Å; L315-E327 HydrophobicContact CD2-CG 3.7Å; K324-E327 HydrophobicContact CD-CB 4.36Å; K324-E327 IonicContact NZ-OE2 3.76Å; K324-E327 PolarHBondContact NZ-OE2 2.78Å; E327-E329 HydrophobicContact CG-CG 4.19Å
328	I	80.4	Confident	71.5	Confident	11 Å²	11	53.8 Å²	53.8	6%	0.056	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	104.8	172.8	-61.5	176.3	0	0	0	107.4	I31 S313 L314 F316 Y326 F330 K360	I31-I328 HydrophobicContact CG2-CD1 3.86Å; S313-I328 CarbonylContact C-O 3.55Å; S313-I328 VanDerWaalsContact CA-O 3.31Å; S313-I328 WeakPolarHBondContact CA-O 3.22Å; L314-I328 HydrophobicContact CB-CB 4.25Å; L314-I328 HydrophobicContact CD2-CB 4.46Å; L314-I328 HydrophobicContact CD2-CD1 4.09Å; L314-I328 PolarHBondContact N-O 3.23Å; L314-I328 PolarHBondContact O-N 3.31Å; F316-I328 HydrophobicContact CE2-CD1 3.59Å; F316-I328 HydrophobicContact CE2-CG1 3.93Å; F316-I328 HydrophobicContact CZ-CD1 4.03Å; Y326-I328 HydrophobicContact CD1-CD1 4.4Å; Y326-I328 HydrophobicContact CD1-CG1 3.86Å; Y326-I328 HydrophobicContact CE1-CD1 4.18Å; Y326-I328 HydrophobicContact CE1-CG1 3.6Å; I328-F330 HydrophobicContact CG2-CE1 4.35Å; I328-F330 HydrophobicContact CG2-CE2 4.06Å; I328-F330 HydrophobicContact CG2-CZ 3.9Å; I328-K360 HydrophobicContact CD1-CD 4.23Å; I328-K360 VanDerWaalsContact CG2-NZ 3.31Å
329	E	78.1	Confident	70.8	Confident	128 Å²	128	52.4 Å²	52.4	60%	0.598	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	136.4	172.5	-62.4	-172.3	169.6	0	0	110.4	V311 E327	V311-E329 HydrophobicContact CG1-CB 4.03Å; V311-E329 HydrophobicContact CG1-CG 4.43Å; E327-E329 HydrophobicContact CG-CG 4.19Å
330	F	71.2	Confident	70.6	Confident	3 Å²	3	51 Å²	51	1%	0.013	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-100.4	143	173	-65.7	-86.1	0	0	0	109.9	V311 G312 L314 I328 V334 L337 F350	V311-F330 VanDerWaalsContact CG1-O 3.26Å; V311-F330 WeakPolarHBondContact CG1-O 3.27Å; G312-F330 WeakPolarHBondContact O-CB 2.95Å; G312-F330 WeakPolarHBondContact O-CD2 3.18Å; G312-F330 PolarHBondContact O-N 2.84Å; L314-F330 HydrophobicContact CB-CE2 3.84Å; I328-F330 HydrophobicContact CG2-CE1 4.35Å; I328-F330 HydrophobicContact CG2-CE2 4.06Å; I328-F330 HydrophobicContact CG2-CZ 3.9Å; F330-V334 HydrophobicContact CB-CB 3.72Å; F330-V334 HydrophobicContact CB-CG1 3.67Å; F330-V334 HydrophobicContact CB-CG2 4.05Å; F330-V334 HydrophobicContact CG-CG1 4.24Å; F330-L337 HydrophobicContact CD2-CD1 3.78Å; F330-L337 HydrophobicContact CD2-CD2 3.91Å; F330-L337 HydrophobicContact CD2-CG 4.18Å; F330-L337 HydrophobicContact CE2-CD1 3.45Å; F330-L337 VanDerWaalsContact CE2-CD1 3.45Å; F330-L337 HydrophobicContact CE2-CD2 3.75Å; F330-L337 HydrophobicContact CE2-CG 4.14Å; F330-L337 HydrophobicContact CG-CD2 4.5Å; F330-L337 HydrophobicContact CZ-CD1 4.42Å; F330-L337 HydrophobicContact CZ-CD2 4.17Å; F330-F350 HydrophobicContact CZ-CB 3.95Å; F330-F350 HydrophobicContact CZ-CG 4.3Å
331	P	67.1	Low	70.4	Confident	72 Å²	72	46.3 Å²	46.3	47%	0.468	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-50.8	149.4	179.9	-24.3	31.7	0	0	0	112.2	D333 V334	P331-D333 PolarHBondContact O-N 3.08Å; P331-V334 WeakPolarHBondContact O-CB 3.42Å; P331-V334 PolarHBondContact O-N 2.93Å
332	S	56.5	Low	70.1	Confident	77 Å²	77	45.4 Å²	45.4	54%	0.538	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-15.7	-173.7	51.8	0	0	0	0	116.9	N310 V334	N310-S332 CarbonylContact O-C 3.51Å; N310-S332 WeakPolarHBondContact O-CA 3.35Å; N310-S332 VanDerWaalsContact O-O 3.05Å; S332-V334 PolarHBondContact O-N 3.33Å
333	D	57.2	Low	69.9	Low	88 Å²	88	46.3 Å²	46.3	47%	0.471	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-8.7	175.2	-69.3	16	0	0	0	112.6	P331 R354	P331-D333 PolarHBondContact O-N 3.08Å; D333-R354 IonicContact OD2-CZ 3.64Å; D333-R354 IonicContact OD2-NH1 2.72Å; D333-R354 PolarHBondContact OD2-NH1 2.89Å; D333-R354 IonicContact OD2-NH2 3.91Å
334	V	58.9	Low	68.9	Low	8 Å²	8	45.4 Å²	45.4	5%	0.048	23%	0.228	C	C	.	.			trans	-108.3	97	-179.2	173.7	0	0	0	0	109.3	G312 F330 P331 S332 A352	G312-V334 PolarHBondContact N-O 3.23Å; F330-V334 HydrophobicContact CB-CB 3.72Å; F330-V334 HydrophobicContact CB-CG1 3.67Å; F330-V334 HydrophobicContact CB-CG2 4.05Å; F330-V334 HydrophobicContact CG-CG1 4.24Å; P331-V334 WeakPolarHBondContact O-CB 3.42Å; P331-V334 PolarHBondContact O-N 2.93Å; S332-V334 PolarHBondContact O-N 3.33Å; V334-A352 HydrophobicContact CB-CB 3.97Å; V334-A352 HydrophobicContact CG1-CB 3.11Å; V334-A352 HydrophobicContact CG2-CB 3.64Å
335	S	53.7	Low	67.4	Low	25 Å²	25	46.2 Å²	46.2	18%	0.175	23%	0.232	C	C	.	.			trans	-93.1	3.4	-177.4	50.8	0	0	0	0	114.8	A304 R353	A304-S335 VanDerWaalsContact CB-O 3.3Å; A304-S335 WeakPolarHBondContact CB-O 3.48Å; A304-S335 PolarHBondContact N-O 2.8Å; S335-R353 WeakPolarHBondContact OG-CB 3.2Å; S335-R353 WeakPolarHBondContact OG-CD 3.49Å; S335-R353 VanDerWaalsContact OG-CG 3.23Å; S335-R353 WeakPolarHBondContact OG-CG 3.25Å; S335-R353 PolarHBondContact OG-NE 3.24Å; S335-R353 PolarHBondContact OG-NH1 2.91Å
336	M	57.4	Low	65.8	Low	14 Å²	14	47.4 Å²	47.4	7%	0.069	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-169.4	137.8	175.6	-172.4	-172.1	169.9	0	0	113.6	N284 A338 A352 R353	N284-M336 HydrophobicContact CB-CE 3.29Å; N284-M336 HydrophobicContact CB-SD 3.89Å; N284-M336 PolarHBondContact ND2-SD 2.89Å; M336-A338 HydrophobicContact CE-CB 3.95Å; M336-A352 CarbonylContact O-C 3.49Å; M336-A352 WeakPolarHBondContact O-CA 3.34Å; M336-R353 HydrophobicContact CB-CB 3.81Å; M336-R353 VanDerWaalsContact CB-CD 3.46Å; M336-R353 HydrophobicContact CB-CG 4.17Å; M336-R353 VanDerWaalsContact N-CB 3.29Å; M336-R353 PolarHBondContact O-N 2.98Å
337	L	58.9	Low	64	Low	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	131	160.6	-60.6	169.6	0	0	0	111	T302 S313 L314 F330 R351 A352	T302-L337 PolarHBondContact O-N 2.93Å; T302-L337 VanDerWaalsContact O-N 3.13Å; S313-L337 WeakPolarHBondContact O-CD1 2.94Å; L314-L337 HydrophobicContact CB-CD1 3.73Å; L314-L337 HydrophobicContact CD1-CD1 4.19Å; F330-L337 HydrophobicContact CD2-CD1 3.78Å; F330-L337 HydrophobicContact CD2-CD2 3.91Å; F330-L337 HydrophobicContact CD2-CG 4.18Å; F330-L337 HydrophobicContact CE2-CD1 3.45Å; F330-L337 VanDerWaalsContact CE2-CD1 3.45Å; F330-L337 HydrophobicContact CE2-CD2 3.75Å; F330-L337 HydrophobicContact CE2-CG 4.14Å; F330-L337 HydrophobicContact CG-CD2 4.5Å; F330-L337 HydrophobicContact CZ-CD1 4.42Å; F330-L337 HydrophobicContact CZ-CD2 4.17Å; L337-R351 WeakPolarHBondContact CA-O 3.2Å; L337-R351 WeakPolarHBondContact CD2-O 3.2Å; L337-A352 HydrophobicContact CD2-CB 4Å
338	A	60.3	Low	62.3	Low	3 Å²	3	42.6 Å²	42.6	3%	0.025	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	-50.6	-176.3	0	0	0	0	0	112.9	T287 D288 M336 R351	T287-A338 WeakPolarHBondContact CA-O 3.34Å; D288-A338 PolarHBondContact N-O 3.19Å; M336-A338 HydrophobicContact CE-CB 3.95Å; A338-R351 PolarHBondContact N-O 3.29Å
339	H	68.1	Low	60.9	Low	10 Å²	10	42.5 Å²	42.5	5%	0.046	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	141.9	-177.9	-63.1	-64.3	0	0	0	110.9	S45 L47 S286 D288 R351	S45-H339 VanDerWaalsContact C-CD2 3.46Å; S45-H339 PolarHBondContact O-CD2 3.22Å; S45-H339 PolarHBondContact O-NE2 3.24Å; L47-H339 HydrophobicContact CB-CB 4.4Å; L47-H339 HydrophobicContact CD1-CB 4.11Å; L47-H339 HydrophobicContact CG-CB 4.26Å; S286-H339 PolarHBondContact O-CE1 3.13Å; S286-H339 VanDerWaalsContact O-CE1 3.28Å; D288-H339 IonicContact OD1-ND1 3.75Å; D288-H339 WeakPolarHBondContact OD2-CA 3.29Å; D288-H339 IonicContact OD2-CE1 2.74Å; D288-H339 IonicContact OD2-CG 3.92Å; D288-H339 IonicContact OD2-ND1 3.78Å; D288-H339 PolarHBondContact OD2-ND1 3.23Å; H339-R351 PolarHBondContact CD2-NH1 2.92Å; H339-R351 PolarHBondContact O-N 3.34Å
340	I	71.5	Confident	59.7	Low	2 Å²	2	36.6 Å²	36.6	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	134.7	-178.2	-52.7	168.1	0	0	0	107.3	L290 V299 L314 F350	L290-I340 HydrophobicContact CD2-CB 3.71Å; L290-I340 HydrophobicContact CD2-CG2 3.34Å; L290-I340 WeakPolarHBondContact CD2-O 3.45Å; L290-I340 HydrophobicContact CG-CB 4.5Å; L290-I340 HydrophobicContact CG-CG2 4.14Å; V299-I340 HydrophobicContact CG1-CD1 4.32Å; V299-I340 HydrophobicContact CG1-CG2 4.44Å; L314-I340 HydrophobicContact CD1-CD1 3.37Å; L314-I340 HydrophobicContact CD1-CG1 4.04Å; L314-I340 HydrophobicContact CD1-CG2 4.45Å; I340-F350 HydrophobicContact CG1-CD1 4.31Å; I340-F350 HydrophobicContact CG2-CD1 3.59Å; I340-F350 HydrophobicContact CG2-CE1 3.45Å; I340-F350 VanDerWaalsContact CG2-CE1 3.45Å
341	L	73.9	Confident	58.8	Low	26 Å²	26	36.9 Å²	36.9	14%	0.136	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	137.7	170.9	-64.4	176	0	0	0	109.8	L47 L49 Y241 C348 T349	L47-L341 HydrophobicContact CB-CD1 3.61Å; L47-L341 HydrophobicContact CB-CG 4.16Å; L49-L341 HydrophobicContact CB-CD1 4Å; Y241-L341 WeakPolarHBondContact OH-CD2 3.39Å; L341-C348 WeakPolarHBondContact O-CA 3.4Å; L341-T349 PolarHBondContact N-O 3Å; L341-T349 PolarHBondContact O-N 2.9Å
342	W	71.9	Confident	57.9	Low	39 Å²	39	33.5 Å²	33.5	15%	0.148	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	120.2	173.7	-164.7	-20	0	0	0	109.1	L290 P293 F297 V299 F316 C348	L290-W342 HydrophobicContact CD1-CB 3.79Å; L290-W342 HydrophobicContact CD1-CD2 4.4Å; L290-W342 HydrophobicContact CD1-CE3 3.68Å; L290-W342 HydrophobicContact CD2-CB 4.08Å; P293-W342 VanDerWaalsContact CD-CD2 3.47Å; P293-W342 VanDerWaalsContact CD-CG 3.47Å; P293-W342 HydrophobicContact CG-CB 4.45Å; P293-W342 HydrophobicContact CG-CD2 4.34Å; P293-W342 HydrophobicContact CG-CG 3.87Å; F297-W342 HydrophobicContact CB-CZ3 4.48Å; F297-W342 AromaticContact CD2-CH2 3.97Å; F297-W342 HydrophobicContact CD2-CH2 3.97Å; V299-W342 HydrophobicContact CG2-CE3 3.68Å; V299-W342 HydrophobicContact CG2-CZ3 3.46Å; V299-W342 VanDerWaalsContact CG2-CZ3 3.46Å; F316-W342 HydrophobicContact CD1-CZ3 4.26Å; F316-W342 HydrophobicContact CE1-CH2 4.31Å; F316-W342 AromaticContact CE1-CZ3 3.97Å; F316-W342 HydrophobicContact CE1-CZ3 3.97Å; W342-C348 VanDerWaalsContact CD1-SG 3.52Å
343	Y	70.6	Confident	57.5	Low	40 Å²	40	36 Å²	36	16%	0.157	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	145.5	175.9	-170.3	-127.2	0	0	0	112.8	L49 P51 S52 P293 F345 R346 E347	L49-Y343 VanDerWaalsContact CD2-CB 3.5Å; L49-Y343 HydrophobicContact CD2-CD2 3.58Å; L49-Y343 HydrophobicContact CD2-CG 3.7Å; P51-Y343 WeakPolarHBondContact O-CE2 3.39Å; P51-Y343 PolarHBondContact O-OH 3.27Å; S52-Y343 PolarHBondContact O-OH 3.37Å; P293-Y343 WeakPolarHBondContact CG-O 3.1Å; Y343-F345 HydrophobicContact CD1-CB 3.85Å; Y343-F345 HydrophobicContact CD1-CD2 4.34Å; Y343-F345 HydrophobicContact CE1-CB 3.8Å; Y343-F345 AromaticContact CE1-CD2 3.57Å; Y343-F345 HydrophobicContact CE1-CD2 3.57Å; Y343-F345 HydrophobicContact CE1-CG 4.16Å; Y343-F345 AromaticContact CZ-CD2 3.91Å; Y343-F345 CarbonylContact O-C 3.56Å; Y343-F345 PolarHBondContact O-N 2.76Å; Y343-R346 PolarHBondContact O-N 3.28Å; Y343-E347 PolarHBondContact N-O 2.88Å
344	E	59.8	Low	57.3	Low	118 Å²	118	37.8 Å²	37.8	55%	0.551	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-28.4	-179.2	-83.6	-178	170.6	0	0	113.5	R202 P293	R202-E344 IonicContact CZ-OE1 3.74Å; R202-E344 IonicContact NH2-OE1 2.9Å; R202-E344 PolarHBondContact NH2-OE1 2.79Å; P293-E344 HydrophobicContact CB-CB 4.23Å; P293-E344 HydrophobicContact CB-CG 3.69Å
345	F	49.5	Very low	57.5	Low	131 Å²	131	37.7 Å²	37.7	58%	0.575	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.5	83.1	169.9	-65.5	-83.2	0	0	0	110.9	Y343 E347	Y343-F345 HydrophobicContact CD1-CB 3.85Å; Y343-F345 HydrophobicContact CD1-CD2 4.34Å; Y343-F345 HydrophobicContact CE1-CB 3.8Å; Y343-F345 AromaticContact CE1-CD2 3.57Å; Y343-F345 HydrophobicContact CE1-CD2 3.57Å; Y343-F345 HydrophobicContact CE1-CG 4.16Å; Y343-F345 AromaticContact CZ-CD2 3.91Å; Y343-F345 CarbonylContact O-C 3.56Å; Y343-F345 PolarHBondContact O-N 2.76Å; F345-E347 WeakPolarHBondContact O-CG 3.47Å; F345-E347 PolarHBondContact O-N 3.39Å
346	R	49.9	Very low	58.3	Low	79 Å²	79	41.3 Å²	41.3	30%	0.298	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	26.4	51.3	163.6	-66	-169.5	-179	178.6	-0.3	116.1	P30 Y343 D362 T364	P30-R346 HydrophobicContact CB-CB 4.24Å; P30-R346 WeakPolarHBondContact CB-O 3.45Å; Y343-R346 PolarHBondContact O-N 3.28Å; R346-D362 HydrophobicContact CB-CB 4.28Å; R346-D362 IonicContact CZ-OD2 3.98Å; R346-D362 IonicContact NH1-OD2 3.97Å; R346-D362 PolarHBondContact NH1-OD2 2.74Å; R346-T364 PolarHBondContact NH1-OG1 3.46Å
347	E	46.5	Very low	59	Low	20 Å²	20	40.7 Å²	40.7	9%	0.093	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	126.7	174	-75.4	170.3	-167.7	0	0	107.3	Y343 F345 K360 A361 L370	Y343-E347 PolarHBondContact N-O 2.88Å; F345-E347 WeakPolarHBondContact O-CG 3.47Å; F345-E347 PolarHBondContact O-N 3.39Å; E347-K360 WeakPolarHBondContact CA-O 3.35Å; E347-A361 HydrophobicContact CG-CB 4.16Å; E347-L370 HydrophobicContact CG-CD2 4.41Å; E347-L370 WeakPolarHBondContact OE1-CB 3.4Å; E347-L370 WeakPolarHBondContact OE1-CD1 3.34Å; E347-L370 WeakPolarHBondContact OE1-CD2 3.38Å; E347-L370 WeakPolarHBondContact OE1-CG 3.5Å; E347-L370 VanDerWaalsContact OE2-CD1 3.27Å; E347-L370 WeakPolarHBondContact OE2-CD1 3.41Å; E347-L370 WeakPolarHBondContact OE2-CD2 3.38Å
348	C	48.1	Very low	59.7	Low	1 Å²	1	42.9 Å²	42.9	1%	0.007	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128.8	177.6	-63.4	0	0	0	0	109.5	P30 L341 W342 F350 K360	P30-C348 HydrophobicContact CG-CB 4.04Å; P30-C348 WeakPolarHBondContact CG-SG 3.43Å; L341-C348 WeakPolarHBondContact O-CA 3.4Å; W342-C348 VanDerWaalsContact CD1-SG 3.52Å; C348-F350 HydrophobicContact CB-CD2 4.26Å; C348-F350 HydrophobicContact CB-CE1 4.07Å; C348-F350 HydrophobicContact CB-CE2 3.34Å; C348-F350 HydrophobicContact CB-CZ 3.22Å; C348-K360 PolarHBondContact N-O 3.33Å; C348-K360 PolarHBondContact O-N 3.08Å
349	T	50.4	Low	60.2	Low	9 Å²	9	43 Å²	43	6%	0.055	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	122.8	172.1	-54.7	0	0	0	0	108.9	L47 L341 V357 R358 V359	L47-T349 HydrophobicContact CD1-CG2 4.12Å; L341-T349 PolarHBondContact N-O 3Å; L341-T349 PolarHBondContact O-N 2.9Å; T349-V357 HydrophobicContact CG2-CG1 3.33Å; T349-R358 CarbonylContact C-O 3.33Å; T349-R358 WeakPolarHBondContact CA-O 3.2Å; T349-V359 HydrophobicContact CG2-CG2 4.08Å
350	F	52.7	Low	60.4	Low	3 Å²	3	43.6 Å²	43.6	1%	0.013	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	145.8	178.5	-55.9	-67.1	0	0	0	109.9	V299 L314 F316 F330 I340 C348 R358 K360	V299-F350 HydrophobicContact CG1-CE1 4.33Å; L314-F350 HydrophobicContact CD1-CD1 3.41Å; L314-F350 VanDerWaalsContact CD1-CD1 3.41Å; L314-F350 HydrophobicContact CD1-CE1 3.46Å; L314-F350 VanDerWaalsContact CD1-CE1 3.46Å; L314-F350 HydrophobicContact CD1-CG 4.46Å; L314-F350 HydrophobicContact CD1-CZ 4.47Å; L314-F350 HydrophobicContact CD2-CD1 3.39Å; L314-F350 HydrophobicContact CD2-CD2 4.17Å; L314-F350 HydrophobicContact CD2-CE1 2.96Å; L314-F350 HydrophobicContact CD2-CE2 3.75Å; L314-F350 HydrophobicContact CD2-CG 4Å; L314-F350 HydrophobicContact CD2-CZ 3.13Å; L314-F350 HydrophobicContact CG-CD1 3.98Å; L314-F350 HydrophobicContact CG-CE1 3.79Å; L314-F350 HydrophobicContact CG-CZ 4.37Å; F316-F350 AromaticContact CZ-CZ 3.99Å; F316-F350 HydrophobicContact CZ-CZ 3.99Å; F330-F350 HydrophobicContact CZ-CB 3.95Å; F330-F350 HydrophobicContact CZ-CG 4.3Å; I340-F350 HydrophobicContact CG1-CD1 4.31Å; I340-F350 HydrophobicContact CG2-CD1 3.59Å; I340-F350 HydrophobicContact CG2-CE1 3.45Å; I340-F350 VanDerWaalsContact CG2-CE1 3.45Å; C348-F350 HydrophobicContact CB-CD2 4.26Å; C348-F350 HydrophobicContact CB-CE1 4.07Å; C348-F350 HydrophobicContact CB-CE2 3.34Å; C348-F350 HydrophobicContact CB-CZ 3.22Å; F350-R358 PolarHBondContact N-O 3.28Å; F350-R358 PolarHBondContact O-N 2.97Å; F350-R358 VanDerWaalsContact O-O 3.06Å; F350-K360 HydrophobicContact CD2-CD 4.28Å; F350-K360 HydrophobicContact CD2-CG 4.22Å; F350-K360 HydrophobicContact CE2-CB 4.36Å; F350-K360 HydrophobicContact CE2-CD 4.15Å; F350-K360 HydrophobicContact CE2-CG 4.29Å
351	R	51.6	Low	60.1	Low	9 Å²	9	43.6 Å²	43.6	3%	0.034	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	131.2	-177.8	174.9	-116.3	155.4	177.8	-2.5	113	V44 S45 L47 L337 A338 H339 V357	V44-R351 VanDerWaalsContact C-NE 3.34Å; V44-R351 HydrophobicContact CB-CG 3.79Å; V44-R351 VanDerWaalsContact CB-NE 3.25Å; V44-R351 HydrophobicContact CG1-CG 4.13Å; V44-R351 HydrophobicContact CG2-CG 4.5Å; V44-R351 WeakPolarHBondContact O-CD 3.21Å; V44-R351 PolarHBondContact O-NE 2.83Å; V44-R351 PolarHBondContact O-NH1 2.86Å; V44-R351 PolarHBondContact O-NH2 3.22Å; S45-R351 VanDerWaalsContact CA-NH1 3.31Å; L47-R351 HydrophobicContact CD1-CB 3.78Å; L337-R351 WeakPolarHBondContact CA-O 3.2Å; L337-R351 WeakPolarHBondContact CD2-O 3.2Å; A338-R351 PolarHBondContact N-O 3.29Å; H339-R351 PolarHBondContact CD2-NH1 2.92Å; H339-R351 PolarHBondContact O-N 3.34Å; R351-V357 HydrophobicContact CG-CG2 4.4Å
352	A	48.4	Very low	59.6	Low	2 Å²	2	43.3 Å²	43.3	2%	0.017	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	140.3	-157.8	0	0	0	0	0	111.3	V334 M336 L337 R354	V334-A352 HydrophobicContact CB-CB 3.97Å; V334-A352 HydrophobicContact CG1-CB 3.11Å; V334-A352 HydrophobicContact CG2-CB 3.64Å; M336-A352 CarbonylContact O-C 3.49Å; M336-A352 WeakPolarHBondContact O-CA 3.34Å; L337-A352 HydrophobicContact CD2-CB 4Å; A352-R354 CarbonylContact O-C 3.55Å; A352-R354 PolarHBondContact O-N 2.5Å
353	R	49.2	Very low	58.7	Low	130 Å²	130	48 Å²	48	49%	0.491	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	16.9	-167.3	-166.3	156.3	158.6	-154.9	6.6	120.3	S335 M336	S335-R353 WeakPolarHBondContact OG-CB 3.2Å; S335-R353 WeakPolarHBondContact OG-CD 3.49Å; S335-R353 VanDerWaalsContact OG-CG 3.23Å; S335-R353 WeakPolarHBondContact OG-CG 3.25Å; S335-R353 PolarHBondContact OG-NE 3.24Å; S335-R353 PolarHBondContact OG-NH1 2.91Å; M336-R353 HydrophobicContact CB-CB 3.81Å; M336-R353 VanDerWaalsContact CB-CD 3.46Å; M336-R353 HydrophobicContact CB-CG 4.17Å; M336-R353 VanDerWaalsContact N-CB 3.29Å; M336-R353 PolarHBondContact O-N 2.98Å
354	R	52.6	Low	57.7	Low	124 Å²	124	51.6 Å²	51.6	47%	0.468	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-177.6	149.9	-84.8	-177.8	172	158.3	2.9	108	D333 A352 Y356	D333-R354 IonicContact OD2-CZ 3.64Å; D333-R354 IonicContact OD2-NH1 2.72Å; D333-R354 PolarHBondContact OD2-NH1 2.89Å; D333-R354 IonicContact OD2-NH2 3.91Å; A352-R354 CarbonylContact O-C 3.55Å; A352-R354 PolarHBondContact O-N 2.5Å; R354-Y356 HydrophobicContact CB-CD2 3.49Å; R354-Y356 VanDerWaalsContact CB-CD2 3.49Å; R354-Y356 HydrophobicContact CB-CE2 3.73Å; R354-Y356 PolarHBondContact O-N 3.33Å
355	S	62.9	Low	57	Low	6 Å²	6	47.9 Å²	47.9	4%	0.042	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	15.9	-180	66.2	0	0	0	0	114.3	H39 G40 K42	H39-S355 WeakPolarHBondContact CA-O 3.34Å; H39-S355 WeakPolarHBondContact CB-O 3.31Å; H39-S355 PolarHBondContact N-O 3.21Å; G40-S355 VanDerWaalsContact C-OG 3.26Å; G40-S355 PolarHBondContact N-OG 2.8Å; G40-S355 WeakPolarHBondContact O-CB 3.4Å; G40-S355 PolarHBondContact O-OG 3.09Å; K42-S355 WeakPolarHBondContact O-CB 3.38Å
356	Y	70.8	Confident	56.5	Low	102 Å²	102	43.3 Å²	43.3	40%	0.4	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	139.5	-172.6	-59.9	-79.3	0	0	0	112.1	L37 R354	L37-Y356 CarbonylContact O-C 3.46Å; L37-Y356 WeakPolarHBondContact O-CA 3.46Å; R354-Y356 HydrophobicContact CB-CD2 3.49Å; R354-Y356 VanDerWaalsContact CB-CD2 3.49Å; R354-Y356 HydrophobicContact CB-CE2 3.73Å; R354-Y356 PolarHBondContact O-N 3.33Å
357	V	71.1	Confident	55.8	Low	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124.7	166.4	-177.8	0	0	0	0	107.1	L37 V44 L47 W56 T349 R351	L37-V357 PolarHBondContact N-O 3.14Å; L37-V357 PolarHBondContact O-N 2.59Å; V44-V357 HydrophobicContact CG1-CG2 4Å; V44-V357 HydrophobicContact CG2-CG2 4.18Å; L47-V357 HydrophobicContact CD2-CG1 4.23Å; L47-V357 HydrophobicContact CD2-CG2 4.07Å; W56-V357 HydrophobicContact CH2-CB 3.65Å; W56-V357 HydrophobicContact CH2-CG1 3.58Å; W56-V357 HydrophobicContact CH2-CG2 3.73Å; W56-V357 HydrophobicContact CZ2-CG1 4.32Å; W56-V357 HydrophobicContact CZ3-CB 4.07Å; W56-V357 HydrophobicContact CZ3-CG1 3.68Å; W56-V357 HydrophobicContact CZ3-CG2 3.85Å; T349-V357 HydrophobicContact CG2-CG1 3.33Å; R351-V357 HydrophobicContact CG-CG2 4.4Å
358	R	73.5	Confident	55.5	Low	46 Å²	46	51.5 Å²	51.5	17%	0.174	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125.1	177.1	-71.7	-174.7	-178.1	-158.6	6.5	109.5	E34 V35 T349 F350	E34-R358 IonicContact OE2-NH1 2.73Å; V35-R358 CarbonylContact O-C 3.53Å; V35-R358 VanDerWaalsContact O-CA 3.29Å; V35-R358 WeakPolarHBondContact O-CA 3.49Å; T349-R358 CarbonylContact C-O 3.33Å; T349-R358 WeakPolarHBondContact CA-O 3.2Å; F350-R358 PolarHBondContact N-O 3.28Å; F350-R358 PolarHBondContact O-N 2.97Å; F350-R358 VanDerWaalsContact O-O 3.06Å
359	V	71.2	Confident	55.3	Low	6 Å²	6	60.5 Å²	60.5	4%	0.036	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	124.3	174.7	-176.7	0	0	0	0	107.4	E34 V35 L37 F70 T349	E34-V359 CarbonylContact C-O 3.43Å; E34-V359 VanDerWaalsContact CA-O 3.31Å; E34-V359 WeakPolarHBondContact CA-O 3.33Å; V35-V359 PolarHBondContact N-O 3.37Å; V35-V359 PolarHBondContact O-N 3.28Å; L37-V359 HydrophobicContact CD1-CG2 4.36Å; F70-V359 HydrophobicContact CE1-CG1 4.47Å; F70-V359 HydrophobicContact CE1-CG2 4.24Å; F70-V359 HydrophobicContact CZ-CG1 4.23Å; F70-V359 HydrophobicContact CZ-CG2 4.13Å; T349-V359 HydrophobicContact CG2-CG2 4.08Å
360	K	71.7	Confident	54.7	Low	23 Å²	23	60.5 Å²	60.5	10%	0.1	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	136.7	172.9	-62	-165	170	-162.8	0	110.7	P30 H33 E34 I328 E347 C348 F350	P30-K360 WeakPolarHBondContact O-CB 3.26Å; H33-K360 CarbonylContact O-C 3.4Å; H33-K360 WeakPolarHBondContact O-CA 3.44Å; E34-K360 HydrophobicContact CB-CG 4.2Å; I328-K360 HydrophobicContact CD1-CD 4.23Å; I328-K360 VanDerWaalsContact CG2-NZ 3.31Å; E347-K360 WeakPolarHBondContact CA-O 3.35Å; C348-K360 PolarHBondContact N-O 3.33Å; C348-K360 PolarHBondContact O-N 3.08Å; F350-K360 HydrophobicContact CD2-CD 4.28Å; F350-K360 HydrophobicContact CD2-CG 4.22Å; F350-K360 HydrophobicContact CE2-CB 4.36Å; F350-K360 HydrophobicContact CE2-CD 4.15Å; F350-K360 HydrophobicContact CE2-CG 4.29Å
361	A	65.4	Low	54.2	Low	2 Å²	2	61.7 Å²	61.7	2%	0.017	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	159.7	-175.7	0	0	0	0	0	111.6	S32 H33 E347	S32-A361 PolarHBondContact N-O 2.81Å; S32-A361 VanDerWaalsContact N-O 3.11Å; S32-A361 PolarHBondContact OG-O 2.79Å; H33-A361 PolarHBondContact N-O 2.73Å; H33-A361 PolarHBondContact O-N 2.82Å; E347-A361 HydrophobicContact CG-CB 4.16Å
362	D	64.4	Low	53.7	Low	20 Å²	20	69.3 Å²	69.3	11%	0.107	33%	0.328	C	S	.	.			trans	-107.3	141.8	172.1	-176.1	14.1	0	0	0	111.1	P30 S32 R346 T364 N371	P30-D362 HydrophobicContact CB-CB 4.06Å; S32-D362 VanDerWaalsContact OG-CA 3.29Å; S32-D362 WeakPolarHBondContact OG-CA 3.47Å; R346-D362 HydrophobicContact CB-CB 4.28Å; R346-D362 IonicContact CZ-OD2 3.98Å; R346-D362 IonicContact NH1-OD2 3.97Å; R346-D362 PolarHBondContact NH1-OD2 2.74Å; D362-T364 PolarHBondContact OD1-N 3.45Å; D362-T364 PolarHBondContact OD1-OG1 3.22Å; D362-T364 PolarHBondContact OD2-OG1 3.28Å; D362-N371 PolarHBondContact O-ND2 3.29Å
363	Q	52.8	Low	53.4	Low	136 Å²	136	70.5 Å²	70.5	64%	0.636	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-31	-179	-162.6	174.1	2	0	0	112.7	S32	S32-Q363 PolarHBondContact OG-N 2.82Å; S32-Q363 VanDerWaalsContact OG-N 3.09Å
364	T	50.5	Low	53.1	Low	116 Å²	116	64.5 Å²	64.5	71%	0.712	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-20.4	-164.3	63.6	0	0	0	0	114.9	R346 D362	R346-T364 PolarHBondContact NH1-OG1 3.46Å; D362-T364 PolarHBondContact OD1-N 3.45Å; D362-T364 PolarHBondContact OD1-OG1 3.22Å; D362-T364 PolarHBondContact OD2-OG1 3.28Å
365	G	44	Very low	52.6	Low	40 Å²	40	60.5 Å²	60.5	41%	0.412	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-12.4	-175.4	0	0	0	0	0	116.2	S367	G365-S367 VanDerWaalsContact C-N 3.25Å; G365-S367 PolarHBondContact O-N 3.37Å
366	S	39.1	Very low	51.5	Low	36 Å²	36	68.1 Å²	68.1	25%	0.252	33%	0.328	S	S	.	.			trans	-77.7	72.6	-178	166.2	0	0	0	0	111.2	K368 N371	S366-K368 VanDerWaalsContact C-N 3.3Å; S366-K368 PolarHBondContact O-N 2.81Å; S366-N371 VanDerWaalsContact CB-ND2 3.26Å; S366-N371 WeakPolarHBondContact CB-ND2 3.17Å; S366-N371 WeakPolarHBondContact OG-CB 3.19Å; S366-N371 PolarHBondContact OG-N 2.99Å
367	S	34.2	Very low	50	Low	114 Å²	114	64.5 Å²	64.5	80%	0.797	32%	0.319	S	S	*	.			trans	-65.1	95.8	158.6	-85.3	0	0	0	0	109.6	G365	G365-S367 VanDerWaalsContact C-N 3.25Å; G365-S367 PolarHBondContact O-N 3.37Å
368	K	41.6	Very low	48.7	Very low	157 Å²	157	71.2 Å²	71.2	68%	0.683	35%	0.351	S	S	*	.	S	Bend	trans	101.9	-7.7	145	-60	-179.6	179.8	175.6	0	121.7	S366	S366-K368 VanDerWaalsContact C-N 3.3Å; S366-K368 PolarHBondContact O-N 2.81Å
369	R	42.7	Very low	47.1	Very low	189 Å²	189	78 Å²	78	71%	0.713	38%	0.381	S	S	*	.	S	Bend	trans	-128.4	-58.8	-176.5	-71.1	-175	177.3	171.8	-1	117.6	S373	R369-S373 PolarHBondContact O-OG 2.75Å
370	L	38.4	Very low	45.5	Very low	10 Å²	10	81.5 Å²	81.5	5%	0.052	40%	0.403	C	S	.	.	H	α-helix	trans	-76.4	-41.9	-173.5	-117.5	98.9	0	0	0	114	G53 F70 E347 R372 C374	G53-L370 WeakPolarHBondContact O-CD1 3.45Å; F70-L370 HydrophobicContact CB-CD1 4.03Å; F70-L370 HydrophobicContact CB-CG 3.97Å; F70-L370 HydrophobicContact CD1-CD2 4.07Å; F70-L370 HydrophobicContact CD1-CG 4.28Å; F70-L370 HydrophobicContact CD2-CD1 3.37Å; F70-L370 HydrophobicContact CD2-CD2 4.02Å; F70-L370 HydrophobicContact CD2-CG 3.83Å; F70-L370 HydrophobicContact CE1-CD2 4.1Å; F70-L370 HydrophobicContact CE2-CD1 3.88Å; F70-L370 HydrophobicContact CE2-CD2 4.01Å; F70-L370 HydrophobicContact CE2-CG 4.3Å; F70-L370 HydrophobicContact CG-CD1 3.82Å; F70-L370 HydrophobicContact CG-CD2 4.02Å; F70-L370 HydrophobicContact CG-CG 3.79Å; F70-L370 HydrophobicContact CZ-CD2 4.06Å; E347-L370 HydrophobicContact CG-CD2 4.41Å; E347-L370 WeakPolarHBondContact OE1-CB 3.4Å; E347-L370 WeakPolarHBondContact OE1-CD1 3.34Å; E347-L370 WeakPolarHBondContact OE1-CD2 3.38Å; E347-L370 WeakPolarHBondContact OE1-CG 3.5Å; E347-L370 VanDerWaalsContact OE2-CD1 3.27Å; E347-L370 WeakPolarHBondContact OE2-CD1 3.41Å; E347-L370 WeakPolarHBondContact OE2-CD2 3.38Å; L370-R372 PolarHBondContact O-N 2.77Å; L370-C374 PolarHBondContact O-N 3.17Å
371	N	41.2	Very low	43.6	Very low	27 Å²	27	83.5 Å²	83.5	14%	0.144	43%	0.43	C	S	.	.	H	α-helix	trans	-72.1	-12.6	-176.3	-76.5	-12.1	0	0	0	114.6	D362 S366	D362-N371 PolarHBondContact O-ND2 3.29Å; S366-N371 VanDerWaalsContact CB-ND2 3.26Å; S366-N371 WeakPolarHBondContact CB-ND2 3.17Å; S366-N371 WeakPolarHBondContact OG-CB 3.19Å; S366-N371 PolarHBondContact OG-N 2.99Å
372	R	41.5	Very low	42.2	Very low	169 Å²	169	95 Å²	95	64%	0.638	47%	0.473	S	S	*	.	H	α-helix	trans	-98.3	-23.2	-177.5	-74.8	-173	178.1	-170.1	-1.7	114.5	L370 R376	L370-R372 PolarHBondContact O-N 2.77Å; R372-R376 WeakPolarHBondContact O-CB 3.43Å
373	S	43	Very low	40.6	Very low	27 Å²	27	100.8 Å²	100.8	19%	0.189	50%	0.504	C	S	.	.	H	α-helix	trans	-94.1	-54.8	178.4	54.1	0	0	0	0	111.2	F70 R369 A377	F70-S373 WeakPolarHBondContact O-CB 3.19Å; F70-S373 PolarHBondContact O-OG 2.78Å; R369-S373 PolarHBondContact O-OG 2.75Å; S373-A377 VanDerWaalsContact O-CB 3.3Å; S373-A377 WeakPolarHBondContact O-CB 3.28Å; S373-A377 PolarHBondContact O-N 2.95Å; S373-A377 VanDerWaalsContact O-N 3.12Å
374	C	41.8	Very low	39.6	Very low	4 Å²	4	97.9 Å²	97.9	3%	0.027	51%	0.511	C	S	.	.	H	α-helix	trans	-70.2	-43.4	-172.9	-47.1	0	0	0	0	112.5	M73 L370	M73-C374 HydrophobicContact CE-CB 4.14Å; M73-C374 VanDerWaalsContact CE-SG 3.58Å; L370-C374 PolarHBondContact O-N 3.17Å
375	F	43.7	Very low	38.7	Very low	40 Å²	40	102.1 Å²	102.1	18%	0.175	52%	0.519	C	S	.	.	H	α-helix	trans	-87.9	-19.5	-177.2	-65.8	-74.2	0	0	0	113.9	H33 V35	H33-F375 HydrophobicContact CB-CD1 4.29Å; H33-F375 HydrophobicContact CB-CE1 3.48Å; H33-F375 VanDerWaalsContact CB-CE1 3.48Å; H33-F375 HydrophobicContact CB-CE2 3.85Å; H33-F375 HydrophobicContact CB-CZ 3.21Å; V35-F375 HydrophobicContact CG2-CE1 3.67Å; V35-F375 HydrophobicContact CG2-CE2 4.38Å; V35-F375 HydrophobicContact CG2-CZ 3.56Å
376	R	39.2	Very low	38.3	Very low	167 Å²	167	109.4 Å²	109.4	63%	0.63	54%	0.543	S	S	*	.	H	α-helix	trans	-79.5	-32.4	172.1	-156.2	175.1	-173.1	179.9	0.3	111.3	R372 Q378 K379 V380	R372-R376 WeakPolarHBondContact O-CB 3.43Å; R376-Q378 PolarHBondContact O-N 2.79Å; R376-K379 PolarHBondContact O-N 2.92Å; R376-V380 HydrophobicContact CG-CG2 4.14Å; R376-V380 WeakPolarHBondContact O-CG2 3.33Å; R376-V380 PolarHBondContact O-N 2.91Å; R376-V380 VanDerWaalsContact O-N 3.08Å
377	A	40.1	Very low	38.3	Very low	26 Å²	26	115.8 Å²	115.8	22%	0.215	57%	0.566	C	S	.	*	H	α-helix	trans	-58.4	-30.4	174	0	0	0	0	0	113	S373 K379	S373-A377 VanDerWaalsContact O-CB 3.3Å; S373-A377 WeakPolarHBondContact O-CB 3.28Å; S373-A377 PolarHBondContact O-N 2.95Å; S373-A377 VanDerWaalsContact O-N 3.12Å; A377-K379 VanDerWaalsContact C-N 3.34Å; A377-K379 PolarHBondContact O-N 3.12Å
378	Q	41.9	Very low	38.6	Very low	140 Å²	140	118.2 Å²	118.2	65%	0.654	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-22.3	173.5	-83	-175	-18.5	0	0	114.3	R376	R376-Q378 PolarHBondContact O-N 2.79Å
379	K	40.9	Very low	38.6	Very low	189 Å²	189	119.6 Å²	119.6	82%	0.822	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	-19.4	179.2	-79.2	-170.8	176.6	-178	0	114	R376 A377 G381	R376-K379 PolarHBondContact O-N 2.92Å; A377-K379 VanDerWaalsContact C-N 3.34Å; A377-K379 PolarHBondContact O-N 3.12Å; K379-G381 VanDerWaalsContact C-N 3.32Å; K379-G381 PolarHBondContact O-N 3.01Å; K379-G381 VanDerWaalsContact O-N 3.15Å
380	V	38	Very low	38.8	Very low	79 Å²	79	117.2 Å²	117.2	48%	0.479	57%	0.565	S	S	.	*			trans	-93.3	71.6	-178.3	-173.7	0	0	0	0	109.6	R376 D383	R376-V380 HydrophobicContact CG-CG2 4.14Å; R376-V380 WeakPolarHBondContact O-CG2 3.33Å; R376-V380 PolarHBondContact O-N 2.91Å; R376-V380 VanDerWaalsContact O-N 3.08Å; V380-D383 WeakPolarHBondContact CG1-O 3.32Å
381	G	31.3	Very low	39.7	Very low	66 Å²	66	120.6 Å²	120.6	68%	0.68	59%	0.586	S	S	*	*			trans	-80.2	119.8	154.4	0	0	0	0	0	108.7	K379	K379-G381 VanDerWaalsContact C-N 3.32Å; K379-G381 PolarHBondContact O-N 3.01Å; K379-G381 VanDerWaalsContact O-N 3.15Å
382	R	35	Very low	40.2	Very low	242 Å²	242	126 Å²	126	91%	0.913	61%	0.614	S	S	*	*	S	Bend	trans	92.9	-19.4	161.7	-74.3	-176.9	171.8	168.3	-1.5	123.1
383	D	31.3	Very low	40.9	Very low	143 Å²	143	128.1 Å²	128.1	77%	0.765	62%	0.623	S	S	*	*			trans	-133.2	124.2	-176.8	-70.4	-44.6	0	0	0	114.8	V380	V380-D383 WeakPolarHBondContact CG1-O 3.32Å
384	G	31.8	Very low	41.8	Very low	75 Å²	75	132.1 Å²	132.1	77%	0.773	64%	0.638	S	S	*	*			trans	109.3	81.6	157.4	0	0	0	0	0	117	E386	G384-E386 PolarHBondContact O-N 3.33Å; G384-E386 VanDerWaalsContact O-N 3.15Å
385	F	32.7	Very low	42.4	Very low	204 Å²	204	136.8 Å²	136.8	90%	0.895	66%	0.661	S	S	*	*			trans	-72.5	93.4	157.7	-87.1	-89.1	0	0	0	109.6	K387	F385-K387 PolarHBondContact O-N 3.38Å
386	E	34.3	Very low	43.3	Very low	193 Å²	193	139.1 Å²	139.1	90%	0.902	68%	0.675	S	S	*	*			trans	-78.1	93	156.8	-91.7	-176.5	157.2	0	0	108.1	G384 E388	G384-E386 PolarHBondContact O-N 3.33Å; G384-E386 VanDerWaalsContact O-N 3.15Å; E386-E388 PolarHBondContact O-N 3.02Å
387	K	40	Very low	44.5	Very low	170 Å²	170	140.4 Å²	140.4	74%	0.739	68%	0.68	S	S	*	*			trans	-66.2	118.1	163.8	-79.2	177.5	176.7	173.6	0	107.5	F385 H389	F385-K387 PolarHBondContact O-N 3.38Å; K387-H389 PolarHBondContact O-N 3Å
388	E	40.6	Very low	45.5	Very low	165 Å²	165	141.8 Å²	141.8	77%	0.771	69%	0.691	S	S	*	*			trans	-51.9	119.4	165.4	-70.8	-161.6	158.4	0	0	109	E386 Y390	E386-E388 PolarHBondContact O-N 3.02Å; E388-Y390 VanDerWaalsContact C-N 3.35Å; E388-Y390 WeakPolarHBondContact O-CD2 3.28Å; E388-Y390 WeakPolarHBondContact O-CE2 3.28Å; E388-Y390 PolarHBondContact O-N 2.91Å
389	H	40.3	Very low	46.4	Very low	186 Å²	186	138.4 Å²	138.4	86%	0.861	68%	0.68	S	S	*	*			trans	-67.2	93.8	176.2	-81.8	-87.1	0	0	0	109.1	K387 T391	K387-H389 PolarHBondContact O-N 3Å; H389-T391 PolarHBondContact O-N 2.85Å; H389-T391 VanDerWaalsContact O-N 3.11Å
390	Y	48	Very low	47.3	Very low	140 Å²	140	138.5 Å²	138.5	55%	0.549	68%	0.675	S	S	.	*			trans	-53.9	119.2	159.2	-42.5	-87.9	0	0	0	107.3	E388 L392 M395	E388-Y390 VanDerWaalsContact C-N 3.35Å; E388-Y390 WeakPolarHBondContact O-CD2 3.28Å; E388-Y390 WeakPolarHBondContact O-CE2 3.28Å; E388-Y390 PolarHBondContact O-N 2.91Å; Y390-L392 PolarHBondContact O-N 2.68Å; Y390-M395 HydrophobicContact CD2-CE 3.35Å; Y390-M395 HydrophobicContact CE2-CE 4.17Å; Y390-M395 HydrophobicContact CG-CE 3.91Å; Y390-M395 HydrophobicContact CG-CG 4.35Å
391	T	57.1	Low	48.3	Very low	80 Å²	80	142.3 Å²	142.3	49%	0.491	68%	0.682	S	S	.	*			trans	-58.6	144.6	171.1	51.4	0	0	0	0	108.6	H389 R393 Q394 M395	H389-T391 PolarHBondContact O-N 2.85Å; H389-T391 VanDerWaalsContact O-N 3.11Å; T391-R393 PolarHBondContact O-N 2.81Å; T391-Q394 WeakPolarHBondContact O-CA 3.08Å; T391-Q394 PolarHBondContact O-N 3.23Å; T391-Q394 WeakPolarHBondContact OG1-CG 3.46Å; T391-Q394 PolarHBondContact OG1-OE1 2.94Å; T391-M395 PolarHBondContact O-N 2.89Å
392	L	50.8	Low	49.7	Very low	140 Å²	140	146.9 Å²	146.9	73%	0.733	69%	0.685	S	S	*	*	H	α-helix	trans	-48.5	-31.2	178.6	-157.7	104.2	0	0	0	111.8	Y390 L396	Y390-L392 PolarHBondContact O-N 2.68Å; L392-L396 HydrophobicContact CD2-CD1 3.76Å; L392-L396 HydrophobicContact CG-CD1 4.17Å; L392-L396 VanDerWaalsContact O-CB 3.27Å; L392-L396 WeakPolarHBondContact O-CB 3.31Å; L392-L396 WeakPolarHBondContact O-CD1 3.47Å; L392-L396 WeakPolarHBondContact O-CG 3.47Å; L392-L396 PolarHBondContact O-N 3.45Å
393	R	56.7	Low	50.7	Low	215 Å²	215	141.2 Å²	141.2	81%	0.811	67%	0.673	S	S	*	*	H	α-helix	trans	-64.2	-39	173.2	-101.6	-177.9	174.6	-174.1	-0.3	114.9	T391 R397	T391-R393 PolarHBondContact O-N 2.81Å; R393-R397 PolarHBondContact O-N 3.42Å; R393-R397 VanDerWaalsContact O-N 3.11Å
394	Q	61.5	Low	52	Low	111 Å²	111	141.6 Å²	141.6	52%	0.519	66%	0.664	S	S	.	*	H	α-helix	trans	-73.7	-41.5	177.9	-76.1	168.3	-24.3	0	0	111	T391 R397 A398	T391-Q394 WeakPolarHBondContact O-CA 3.08Å; T391-Q394 PolarHBondContact O-N 3.23Å; T391-Q394 WeakPolarHBondContact OG1-CG 3.46Å; T391-Q394 PolarHBondContact OG1-OE1 2.94Å; Q394-R397 PolarHBondContact O-N 2.89Å; Q394-A398 PolarHBondContact O-N 2.83Å
395	M	55.3	Low	52.9	Low	102 Å²	102	143.3 Å²	143.3	50%	0.502	66%	0.661	S	S	.	*	H	α-helix	trans	-61.8	-45.3	172	-73.7	-160.1	175.2	0	0	111.7	Y390 T391 R397 A398 V399	Y390-M395 HydrophobicContact CD2-CE 3.35Å; Y390-M395 HydrophobicContact CE2-CE 4.17Å; Y390-M395 HydrophobicContact CG-CE 3.91Å; Y390-M395 HydrophobicContact CG-CG 4.35Å; T391-M395 PolarHBondContact O-N 2.89Å; M395-R397 VanDerWaalsContact C-N 3.26Å; M395-R397 PolarHBondContact O-N 2.69Å; M395-A398 PolarHBondContact O-N 3.15Å; M395-V399 WeakPolarHBondContact O-CB 3.2Å; M395-V399 VanDerWaalsContact O-CG2 3.28Å; M395-V399 WeakPolarHBondContact O-CG2 3.22Å; M395-V399 PolarHBondContact O-N 3.09Å
396	L	62.8	Low	54.1	Low	89 Å²	89	138.8 Å²	138.8	47%	0.466	65%	0.652	S	S	.	*	H	α-helix	trans	-63.5	-28.8	176.8	-76.4	165.1	0	0	0	113.1	L392 R400	L392-L396 HydrophobicContact CD2-CD1 3.76Å; L392-L396 HydrophobicContact CG-CD1 4.17Å; L392-L396 VanDerWaalsContact O-CB 3.27Å; L392-L396 WeakPolarHBondContact O-CB 3.31Å; L392-L396 WeakPolarHBondContact O-CD1 3.47Å; L392-L396 WeakPolarHBondContact O-CG 3.47Å; L392-L396 PolarHBondContact O-N 3.45Å; L396-R400 WeakPolarHBondContact O-CB 3.29Å; L396-R400 WeakPolarHBondContact O-CG 3.41Å; L396-R400 PolarHBondContact O-N 2.76Å
397	R	63.3	Low	55.4	Low	194 Å²	194	135.5 Å²	135.5	73%	0.732	65%	0.648	S	S	*	*	H	α-helix	trans	-73.9	-40.6	172.8	-89.9	-177.4	174.2	169.1	-1.4	112.6	R393 Q394 M395 R400 Y401	R393-R397 PolarHBondContact O-N 3.42Å; R393-R397 VanDerWaalsContact O-N 3.11Å; Q394-R397 PolarHBondContact O-N 2.89Å; M395-R397 VanDerWaalsContact C-N 3.26Å; M395-R397 PolarHBondContact O-N 2.69Å; R397-R400 PolarHBondContact O-N 2.98Å; R397-Y401 PolarHBondContact O-N 3.43Å
398	A	61.1	Low	56.4	Low	55 Å²	55	137.1 Å²	137.1	46%	0.455	66%	0.655	S	S	.	*	H	α-helix	trans	-65.7	-43.8	175.9	0	0	0	0	0	111.4	Q394 M395 R400 Y401 Q402	Q394-A398 PolarHBondContact O-N 2.83Å; M395-A398 PolarHBondContact O-N 3.15Å; A398-R400 PolarHBondContact O-N 3.4Å; A398-Y401 PolarHBondContact O-N 3.47Å; A398-Y401 VanDerWaalsContact O-N 3.09Å; A398-Q402 PolarHBondContact O-N 3.03Å
399	V	62.5	Low	57.1	Low	69 Å²	69	134.6 Å²	134.6	42%	0.418	66%	0.655	S	S	.	*	H	α-helix	trans	-64.6	-37.6	175	175.4	0	0	0	0	111.4	M395 Y401 Q402 N403	M395-V399 WeakPolarHBondContact O-CB 3.2Å; M395-V399 VanDerWaalsContact O-CG2 3.28Å; M395-V399 WeakPolarHBondContact O-CG2 3.22Å; M395-V399 PolarHBondContact O-N 3.09Å; V399-Y401 VanDerWaalsContact C-N 3.3Å; V399-Y401 PolarHBondContact O-N 3.41Å; V399-Q402 PolarHBondContact O-N 2.91Å; V399-N403 WeakPolarHBondContact CG1-ND2 3.03Å; V399-N403 VanDerWaalsContact O-CB 3.28Å; V399-N403 WeakPolarHBondContact O-CB 3.49Å; V399-N403 PolarHBondContact O-N 3.11Å
400	R	58.5	Low	58	Low	190 Å²	190	136.9 Å²	136.9	72%	0.717	66%	0.657	S	S	*	*	H	α-helix	trans	-66.2	-28.3	171.6	-85.2	-179.1	-171.3	175.9	3.9	113.8	L396 R397 A398 R404	L396-R400 WeakPolarHBondContact O-CB 3.29Å; L396-R400 WeakPolarHBondContact O-CG 3.41Å; L396-R400 PolarHBondContact O-N 2.76Å; R397-R400 PolarHBondContact O-N 2.98Å; A398-R400 PolarHBondContact O-N 3.4Å; R400-R404 WeakPolarHBondContact O-CG 3.5Å; R400-R404 PolarHBondContact O-N 3.04Å
401	Y	59.8	Low	58.8	Low	160 Å²	160	136.1 Å²	136.1	63%	0.627	67%	0.666	S	S	*	*	H	α-helix	trans	-78.4	-35.6	176.3	-111.7	-82.7	0	0	0	112.1	R397 A398 V399 R404	R397-Y401 PolarHBondContact O-N 3.43Å; A398-Y401 PolarHBondContact O-N 3.47Å; A398-Y401 VanDerWaalsContact O-N 3.09Å; V399-Y401 VanDerWaalsContact C-N 3.3Å; V399-Y401 PolarHBondContact O-N 3.41Å; Y401-R404 PolarHBondContact OH-NH1 3.11Å
402	Q	60	Low	59	Low	161 Å²	161	137.7 Å²	137.7	75%	0.752	68%	0.678	S	S	*	*	H	α-helix	trans	-75	-32.1	175	-74.6	-179.3	-20.4	0	0	113	A398 V399 R404	A398-Q402 PolarHBondContact O-N 3.03Å; V399-Q402 PolarHBondContact O-N 2.91Å; Q402-R404 VanDerWaalsContact C-N 3.35Å
403	N	57.4	Low	59.5	Low	124 Å²	124	137.5 Å²	137.5	66%	0.663	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	11.8	177.1	-66.7	-19	0	0	0	113.7	V399	V399-N403 WeakPolarHBondContact CG1-ND2 3.03Å; V399-N403 VanDerWaalsContact O-CB 3.28Å; V399-N403 WeakPolarHBondContact O-CB 3.49Å; V399-N403 PolarHBondContact O-N 3.11Å
404	R	57.2	Low	60.1	Low	151 Å²	151	133.9 Å²	133.9	57%	0.57	67%	0.669	S	S	*	*	S	Bend	trans	-68.3	127.6	167	-93	171.8	-179	-174.1	-0.8	107.5	R400 Y401 Q402	R400-R404 WeakPolarHBondContact O-CG 3.5Å; R400-R404 PolarHBondContact O-N 3.04Å; Y401-R404 PolarHBondContact OH-NH1 3.11Å; Q402-R404 VanDerWaalsContact C-N 3.35Å
405	P	52.1	Low	60	Low	110 Å²	110	134.7 Å²	134.7	71%	0.714	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-55.1	140.5	171	24.7	-32	0	0	0	107.7
406	P	57	Low	60.2	Low	109 Å²	109	135.7 Å²	135.7	71%	0.708	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-50.7	140.5	177.2	21.8	-32.1	0	0	0	108.5	K408	P406-K408 PolarHBondContact O-N 3.46Å
407	P	61.5	Low	60	Low	125 Å²	125	137.3 Å²	137.3	81%	0.812	71%	0.714	S	S	*	*	S	Bend	trans	-50.7	124	175.5	22.1	-31.4	0	0	0	107.4	S409	P407-S409 PolarHBondContact O-N 2.79Å
408	K	61.8	Low	60	Low	204 Å²	204	129.5 Å²	129.5	89%	0.887	70%	0.695	S	S	*	*			trans	-25.1	111.9	-172.4	-83.9	179.4	173.8	179.4	0	110.1	P406 R410	P406-K408 PolarHBondContact O-N 3.46Å; K408-R410 PolarHBondContact O-N 3.5Å
409	S	54.3	Low	59.8	Low	111 Å²	111	133 Å²	133	78%	0.776	71%	0.712	S	S	*	*			trans	-47.7	115.2	174.2	42.2	0	0	0	0	107.5	P407 V411	P407-S409 PolarHBondContact O-N 2.79Å; S409-V411 PolarHBondContact O-N 2.85Å; S409-V411 VanDerWaalsContact O-N 3.15Å
410	R	59.1	Low	59.7	Low	235 Å²	235	131.8 Å²	131.8	89%	0.887	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-63	120.8	175.7	-78.4	-177.2	169.2	176.4	-4.1	106.3	K408	K408-R410 PolarHBondContact O-N 3.5Å
411	V	64.2	Low	59.8	Low	124 Å²	124	130.3 Å²	130.3	75%	0.752	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-49.7	134.7	169.9	-178.8	0	0	0	0	107.6	S409 E413	S409-V411 PolarHBondContact O-N 2.85Å; S409-V411 VanDerWaalsContact O-N 3.15Å; V411-E413 PolarHBondContact O-N 2.83Å
412	P	61.5	Low	59.8	Low	113 Å²	113	134.2 Å²	134.2	73%	0.734	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-51.3	126.6	174.4	-23.3	31.9	0	0	0	109.4	L414	P412-L414 PolarHBondContact O-N 3.13Å
413	E	62.1	Low	59.9	Low	135 Å²	135	130.6 Å²	130.6	63%	0.631	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-61.6	132.3	179.3	-71.9	179.2	174.4	0	0	109.9	V411 R424	V411-E413 PolarHBondContact O-N 2.83Å; E413-R424 IonicContact OE2-CZ 3.72Å; E413-R424 VanDerWaalsContact OE2-CZ 3.23Å; E413-R424 IonicContact OE2-NH1 3.57Å; E413-R424 PolarHBondContact OE2-NH1 3.44Å; E413-R424 IonicContact OE2-NH2 3.04Å; E413-R424 PolarHBondContact OE2-NH2 3.3Å
414	L	68.2	Low	59.9	Low	140 Å²	140	131.3 Å²	131.3	73%	0.733	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-59.6	151.3	174	-71.2	158.3	0	0	0	110.3	P412 V416	P412-L414 PolarHBondContact O-N 3.13Å; L414-V416 VanDerWaalsContact O-CG2 3.23Å; L414-V416 WeakPolarHBondContact O-CG2 3.21Å; L414-V416 PolarHBondContact O-N 2.71Å; L414-V416 VanDerWaalsContact O-N 3.11Å
415	P	60.7	Low	60	Low	128 Å²	128	133 Å²	133	83%	0.831	75%	0.748	S	S	*	*			trans	-63.7	114.5	175.7	25.1	-31.2	0	0	0	109.6
416	V	59.6	Low	60.5	Low	122 Å²	122	129.5 Å²	129.5	74%	0.739	73%	0.731	S	S	*	*			trans	-111.8	130.3	-179.2	-164.2	0	0	0	0	110.6	L414 G418	L414-V416 VanDerWaalsContact O-CG2 3.23Å; L414-V416 WeakPolarHBondContact O-CG2 3.21Å; L414-V416 PolarHBondContact O-N 2.71Å; L414-V416 VanDerWaalsContact O-N 3.11Å; V416-G418 PolarHBondContact O-N 3.31Å
417	S	59.1	Low	60.8	Low	123 Å²	123	128 Å²	128	86%	0.86	73%	0.728	S	S	*	*			trans	-62.1	118.2	169.6	-179.1	0	0	0	0	110.7
418	G	62.5	Low	60.7	Low	31 Å²	31	125.7 Å²	125.7	32%	0.32	72%	0.72	S	S	.	*	S	Bend	trans	174.5	171.5	-179	0	0	0	0	0	114.1	V416 G420 G426	V416-G418 PolarHBondContact O-N 3.31Å; G418-G420 PolarHBondContact O-N 2.96Å; G418-G426 WeakPolarHBondContact O-CA 3.14Å
419	P	57.3	Low	60.6	Low	128 Å²	128	119.7 Å²	119.7	83%	0.831	72%	0.716	S	S	*	*			trans	-63.9	129.6	-179	25.6	-32.2	0	0	0	111
420	G	60.3	Low	61.4	Low	44 Å²	44	117.8 Å²	117.8	45%	0.454	70%	0.702	S	S	.	*			trans	-80.3	133	-170.3	0	0	0	0	0	113.4	G418 R424	G418-G420 PolarHBondContact O-N 2.96Å; G420-R424 WeakPolarHBondContact CA-O 3.33Å
421	E	59.3	Low	62.1	Low	159 Å²	159	112.6 Å²	112.6	74%	0.743	70%	0.697	S	S	*	*			trans	-148.7	152.4	168.1	-149.1	-176.4	166.2	0	0	109.2
422	R	60.8	Low	62.8	Low	241 Å²	241	112.4 Å²	112.4	91%	0.909	69%	0.691	S	S	*	*	S	Bend	trans	60.2	43.1	174.4	-58.3	-179.3	175.1	-158.2	-3.8	116.6
423	G	61	Low	63.2	Low	86 Å²	86	111.8 Å²	111.8	89%	0.887	68%	0.678	S	S	*	*	S	Bend	trans	93	9.3	171.3	0	0	0	0	0	115.3
424	R	58.5	Low	63.8	Low	138 Å²	138	108.1 Å²	108.1	52%	0.521	67%	0.667	S	S	.	*			trans	-107.6	127.9	168.4	-61.8	-168.8	-178.5	168	9.7	110.2	E413 G420 G426	E413-R424 IonicContact OE2-CZ 3.72Å; E413-R424 VanDerWaalsContact OE2-CZ 3.23Å; E413-R424 IonicContact OE2-NH1 3.57Å; E413-R424 PolarHBondContact OE2-NH1 3.44Å; E413-R424 IonicContact OE2-NH2 3.04Å; E413-R424 PolarHBondContact OE2-NH2 3.3Å; G420-R424 WeakPolarHBondContact CA-O 3.33Å; R424-G426 PolarHBondContact O-N 3.36Å
425	L	59	Low	64.4	Low	188 Å²	188	107.3 Å²	107.3	98%	0.984	66%	0.658	S	S	*	*			trans	-71.5	116.9	172.5	-72.8	160.4	0	0	0	108.6
426	G	63.2	Low	65.3	Low	35 Å²	35	104.3 Å²	104.3	36%	0.361	64%	0.638	S	S	.	*			trans	-106.7	161.4	175.4	0	0	0	0	0	112.3	G418 R424	G418-G426 WeakPolarHBondContact O-CA 3.14Å; R424-G426 PolarHBondContact O-N 3.36Å
427	A	62.1	Low	66.1	Low	77 Å²	77	100.8 Å²	100.8	64%	0.636	62%	0.621	S	S	*	*			trans	-66.5	136.8	177.9	0	0	0	0	0	111.5	G429	A427-G429 PolarHBondContact O-N 2.79Å; A427-G429 VanDerWaalsContact O-N 3.08Å
428	A	59.8	Low	67	Low	77 Å²	77	103.6 Å²	103.6	64%	0.636	61%	0.613	S	S	*	*			trans	-59	105.3	-179.5	0	0	0	0	0	112	H433	A428-H433 WeakPolarHBondContact CB-CE1 3.43Å; A428-H433 WeakPolarHBondContact CB-ND1 3.49Å
429	G	60.9	Low	67.8	Low	78 Å²	78	107.5 Å²	107.5	80%	0.804	62%	0.623	S	S	*	*			trans	-131.9	18.7	-161.8	0	0	0	0	0	118.2	A427	A427-G429 PolarHBondContact O-N 2.79Å; A427-G429 VanDerWaalsContact O-N 3.08Å
430	S	69.2	Low	68.4	Low	71 Å²	71	106.1 Å²	106.1	50%	0.497	61%	0.608	S	S	.	*	S	Bend	trans	-129.5	150.8	176.4	72.8	0	0	0	0	112.8	L432 H433 S434	S430-L432 PolarHBondContact O-N 3.04Å; S430-L432 VanDerWaalsContact O-N 3.16Å; S430-H433 WeakPolarHBondContact O-CB 3.46Å; S430-H433 PolarHBondContact O-N 2.95Å; S430-S434 PolarHBondContact O-N 2.66Å
431	T	75	Confident	68.7	Low	127 Å²	127	107.1 Å²	107.1	78%	0.779	62%	0.619	S	S	*	*	H	α-helix	trans	-56.6	-31.1	-174	50.9	0	0	0	0	113.8	S434 F435	T431-S434 PolarHBondContact O-OG 3.43Å; T431-F435 WeakPolarHBondContact O-CB 3.3Å; T431-F435 PolarHBondContact O-N 2.6Å
432	L	78.3	Confident	69.1	Low	119 Å²	119	106.4 Å²	106.4	62%	0.623	62%	0.619	S	S	*	*	H	α-helix	trans	-74.2	-42	174.2	-175.3	65.7	0	0	0	111.6	S430 S434 F435 V436	S430-L432 PolarHBondContact O-N 3.04Å; S430-L432 VanDerWaalsContact O-N 3.16Å; L432-S434 VanDerWaalsContact C-N 3.3Å; L432-S434 PolarHBondContact O-N 2.92Å; L432-F435 PolarHBondContact O-N 2.65Å; L432-V436 HydrophobicContact CD1-CG2 4.34Å; L432-V436 HydrophobicContact CG-CG2 4.43Å; L432-V436 WeakPolarHBondContact O-CG2 3.45Å; L432-V436 PolarHBondContact O-N 2.92Å
433	H	70	Confident	69.2	Low	101 Å²	101	97.6 Å²	97.6	47%	0.468	60%	0.595	S	S	.	*	H	α-helix	trans	-64.6	-37.1	178.4	-169	-61.9	0	0	0	111.3	A428 S430 A437	A428-H433 WeakPolarHBondContact CB-CE1 3.43Å; A428-H433 WeakPolarHBondContact CB-ND1 3.49Å; S430-H433 WeakPolarHBondContact O-CB 3.46Å; S430-H433 PolarHBondContact O-N 2.95Å; H433-A437 WeakPolarHBondContact O-CB 3.47Å; H433-A437 PolarHBondContact O-N 2.74Å
434	S	74.6	Confident	69	Low	57 Å²	57	101.4 Å²	101.4	40%	0.399	59%	0.587	S	S	.	*	H	α-helix	trans	-69.8	-36	175.5	64	0	0	0	0	112.6	S430 T431 L432 R438	S430-S434 PolarHBondContact O-N 2.66Å; T431-S434 PolarHBondContact O-OG 3.43Å; L432-S434 VanDerWaalsContact C-N 3.3Å; L432-S434 PolarHBondContact O-N 2.92Å; S434-R438 WeakPolarHBondContact O-CG 3.3Å; S434-R438 PolarHBondContact O-N 3.42Å; S434-R438 VanDerWaalsContact O-N 3.08Å
435	F	81.3	Confident	68.9	Low	123 Å²	123	100.3 Å²	100.3	54%	0.539	59%	0.586	S	S	.	*	H	α-helix	trans	-65.9	-50	174.2	-179.1	-98.3	0	0	0	111.9	T431 L432 A437 R438 Q439	T431-F435 WeakPolarHBondContact O-CB 3.3Å; T431-F435 PolarHBondContact O-N 2.6Å; L432-F435 PolarHBondContact O-N 2.65Å; F435-A437 PolarHBondContact O-N 2.98Å; F435-R438 PolarHBondContact O-N 3.28Å; F435-Q439 VanDerWaalsContact CZ-OE1 3.32Å; F435-Q439 PolarHBondContact O-N 2.85Å
436	V	79.7	Confident	68.8	Low	66 Å²	66	95 Å²	95	40%	0.4	56%	0.559	S	S	.	*	H	α-helix	trans	-64.3	-41.2	179.1	173.7	0	0	0	0	111.2	L432 R438 Q439 L440	L432-V436 HydrophobicContact CD1-CG2 4.34Å; L432-V436 HydrophobicContact CG-CG2 4.43Å; L432-V436 WeakPolarHBondContact O-CG2 3.45Å; L432-V436 PolarHBondContact O-N 2.92Å; V436-R438 VanDerWaalsContact C-N 3.34Å; V436-R438 PolarHBondContact O-N 3.43Å; V436-Q439 PolarHBondContact O-N 3.02Å; V436-Q439 VanDerWaalsContact O-N 3.16Å; V436-L440 HydrophobicContact CG1-CD1 3.75Å; V436-L440 HydrophobicContact CG1-CG 4.25Å; V436-L440 WeakPolarHBondContact O-CB 3.23Å; V436-L440 WeakPolarHBondContact O-CG 3.31Å; V436-L440 PolarHBondContact O-N 3.03Å
437	A	75.2	Confident	68.6	Low	48 Å²	48	99.2 Å²	99.2	40%	0.397	57%	0.573	S	S	.	*	H	α-helix	trans	-63	-38.6	175.9	0	0	0	0	0	112.3	H433 F435 G441	H433-A437 WeakPolarHBondContact O-CB 3.47Å; H433-A437 PolarHBondContact O-N 2.74Å; F435-A437 PolarHBondContact O-N 2.98Å; A437-G441 PolarHBondContact O-N 2.94Å
438	R	78.1	Confident	68.4	Low	182 Å²	182	100.4 Å²	100.4	69%	0.687	57%	0.568	S	S	*	*	H	α-helix	trans	-64.7	-41.8	171.9	-77.2	178.6	-170.6	169.1	3.3	111.5	S434 F435 V436 G441 L442	S434-R438 WeakPolarHBondContact O-CG 3.3Å; S434-R438 PolarHBondContact O-N 3.42Å; S434-R438 VanDerWaalsContact O-N 3.08Å; F435-R438 PolarHBondContact O-N 3.28Å; V436-R438 VanDerWaalsContact C-N 3.34Å; V436-R438 PolarHBondContact O-N 3.43Å; R438-G441 PolarHBondContact O-N 3.4Å; R438-L442 VanDerWaalsContact O-CB 3.27Å; R438-L442 WeakPolarHBondContact O-CB 3.48Å; R438-L442 WeakPolarHBondContact O-CD1 3.46Å; R438-L442 WeakPolarHBondContact O-CG 3.46Å; R438-L442 PolarHBondContact O-N 3.01Å
439	Q	79.8	Confident	68.3	Low	112 Å²	112	103.9 Å²	103.9	52%	0.523	58%	0.576	S	S	.	*	H	α-helix	trans	-69.6	-38	-178.5	-163.2	155.8	-2.3	0	0	112.2	F435 V436 L442 S443	F435-Q439 VanDerWaalsContact CZ-OE1 3.32Å; F435-Q439 PolarHBondContact O-N 2.85Å; V436-Q439 PolarHBondContact O-N 3.02Å; V436-Q439 VanDerWaalsContact O-N 3.16Å; Q439-L442 PolarHBondContact O-N 3.06Å; Q439-S443 WeakPolarHBondContact O-CB 3.36Å; Q439-S443 PolarHBondContact O-N 3.41Å; Q439-S443 PolarHBondContact O-OG 2.78Å
440	L	69.3	Low	68.4	Low	99 Å²	99	102.8 Å²	102.8	52%	0.518	55%	0.552	S	S	.	*	H	α-helix	trans	-67.8	-34.6	171.4	-74.1	168	0	0	0	112.6	V436 S443	V436-L440 HydrophobicContact CG1-CD1 3.75Å; V436-L440 HydrophobicContact CG1-CG 4.25Å; V436-L440 WeakPolarHBondContact O-CB 3.23Å; V436-L440 WeakPolarHBondContact O-CG 3.31Å; V436-L440 PolarHBondContact O-N 3.03Å; L440-S443 WeakPolarHBondContact CA-OG 3.43Å; L440-S443 PolarHBondContact O-OG 3.26Å
441	G	68.5	Low	68.7	Low	66 Å²	66	105.1 Å²	105.1	68%	0.68	56%	0.559	S	S	*	*	H	α-helix	trans	-76.4	-23.4	174.7	0	0	0	0	0	114	A437 R438	A437-G441 PolarHBondContact O-N 2.94Å; R438-G441 PolarHBondContact O-N 3.4Å
442	L	66.3	Low	68.9	Low	143 Å²	143	103.5 Å²	103.5	75%	0.749	55%	0.55	S	S	*	*	H	α-helix	trans	-86.7	-32.6	174.7	-75.9	162.3	0	0	0	112	R438 Q439 K444	R438-L442 VanDerWaalsContact O-CB 3.27Å; R438-L442 WeakPolarHBondContact O-CB 3.48Å; R438-L442 WeakPolarHBondContact O-CD1 3.46Å; R438-L442 WeakPolarHBondContact O-CG 3.46Å; R438-L442 PolarHBondContact O-N 3.01Å; Q439-L442 PolarHBondContact O-N 3.06Å; L442-K444 VanDerWaalsContact C-N 3.3Å; L442-K444 PolarHBondContact O-N 3.32Å
443	S	62.8	Low	69	Low	57 Å²	57	107 Å²	107	40%	0.399	56%	0.555	S	S	.	*	S	Bend	trans	-69.8	94.9	165.3	62.5	0	0	0	0	107	Q439 L440 K445	Q439-S443 WeakPolarHBondContact O-CB 3.36Å; Q439-S443 PolarHBondContact O-N 3.41Å; Q439-S443 PolarHBondContact O-OG 2.78Å; L440-S443 WeakPolarHBondContact CA-OG 3.43Å; L440-S443 PolarHBondContact O-OG 3.26Å; S443-K445 VanDerWaalsContact C-N 3.33Å; S443-K445 PolarHBondContact O-N 3.36Å
444	K	57.9	Low	69.4	Low	165 Å²	165	107.6 Å²	107.6	72%	0.717	56%	0.558	S	S	*	*			trans	-49.2	105.3	162.4	-89.4	-179.9	162.4	-162.9	0	107.7	L442 D446	L442-K444 VanDerWaalsContact C-N 3.3Å; L442-K444 PolarHBondContact O-N 3.32Å; K444-D446 WeakPolarHBondContact CB-OD1 3.17Å; K444-D446 WeakPolarHBondContact CD-OD1 3.17Å; K444-D446 PolarHBondContact O-N 2.81Å
445	K	55.9	Low	69.7	Low	115 Å²	115	106.6 Å²	106.6	50%	0.5	55%	0.553	S	S	.	*			trans	-73	69.5	161.5	-73.9	174	159.9	-135.3	0	105.9	S443 D447 D448	S443-K445 VanDerWaalsContact C-N 3.33Å; S443-K445 PolarHBondContact O-N 3.36Å; K445-D447 PolarHBondContact O-N 3.27Å; K445-D448 HydrophobicContact CB-CB 4.01Å; K445-D448 HydrophobicContact CD-CB 4.11Å; K445-D448 WeakPolarHBondContact CD-OD2 3.35Å; K445-D448 WeakPolarHBondContact CE-OD2 3.49Å; K445-D448 HydrophobicContact CG-CB 4.46Å; K445-D448 IonicContact NZ-OD2 3.23Å; K445-D448 PolarHBondContact NZ-OD2 3.01Å; K445-D448 PolarHBondContact O-N 3.02Å
446	D	57.2	Low	69.6	Low	78 Å²	78	106.7 Å²	106.7	42%	0.417	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.6	-1.5	179.2	-78	-29.4	0	0	0	112	K444 L450 R458	K444-D446 WeakPolarHBondContact CB-OD1 3.17Å; K444-D446 WeakPolarHBondContact CD-OD1 3.17Å; K444-D446 PolarHBondContact O-N 2.81Å; D446-L450 VanDerWaalsContact O-CD1 3.28Å; D446-L450 WeakPolarHBondContact O-CD1 3.49Å; D446-R458 PolarHBondContact O-NH1 2.95Å; D446-R458 VanDerWaalsContact O-NH1 3.15Å
447	D	58.3	Low	69.8	Low	123 Å²	123	108.5 Å²	108.5	66%	0.658	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.4	-15.3	-175.5	-62.8	-29.9	0	0	0	115.3	K445 R458	K445-D447 PolarHBondContact O-N 3.27Å; D447-R458 IonicContact OD1-NH1 3.76Å
448	D	58.4	Low	70	Confident	102 Å²	102	112.8 Å²	112.8	55%	0.545	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.9	-18.1	-169.7	-72.6	-11.7	0	0	0	114.9	K445	K445-D448 HydrophobicContact CB-CB 4.01Å; K445-D448 HydrophobicContact CD-CB 4.11Å; K445-D448 WeakPolarHBondContact CD-OD2 3.35Å; K445-D448 WeakPolarHBondContact CE-OD2 3.49Å; K445-D448 HydrophobicContact CG-CB 4.46Å; K445-D448 IonicContact NZ-OD2 3.23Å; K445-D448 PolarHBondContact NZ-OD2 3.01Å; K445-D448 PolarHBondContact O-N 3.02Å
449	D	57.7	Low	70.2	Confident	150 Å²	150	109.7 Å²	109.7	80%	0.802	56%	0.564	S	S	*	*	S	Bend	trans	-108.4	8.1	-175.1	-70.6	-32	0	0	0	113.7
450	L	62.9	Low	70.4	Confident	55 Å²	55	106.2 Å²	106.2	29%	0.288	55%	0.554	S	S	.	*			trans	-88.2	117.1	178.6	-72.1	157	0	0	0	109.4	D446 E454 A455	D446-L450 VanDerWaalsContact O-CD1 3.28Å; D446-L450 WeakPolarHBondContact O-CD1 3.49Å; L450-E454 HydrophobicContact CB-CB 4.46Å; L450-E454 HydrophobicContact CD2-CB 3.64Å; L450-E454 WeakPolarHBondContact CD2-OE2 3.46Å; L450-A455 HydrophobicContact CB-CB 4.18Å
451	D	75.5	Confident	71	Confident	120 Å²	120	108.9 Å²	108.9	64%	0.642	56%	0.562	S	S	*	*			trans	-44.1	136.3	161.5	-115.4	-17.9	0	0	0	107.8	R453 E454 A455	D451-R453 CarbonylContact O-C 3.57Å; D451-R453 PolarHBondContact O-N 3.14Å; D451-E454 PolarHBondContact O-N 2.76Å; D451-A455 PolarHBondContact O-N 2.98Å
452	P	78.7	Confident	71.7	Confident	93 Å²	93	108.3 Å²	108.3	60%	0.604	55%	0.551	S	S	*	*	H	α-helix	trans	-54.4	-25.8	-172.1	19.5	-32.2	0	0	0	112.7	I456	P452-I456 WeakPolarHBondContact O-CD1 3.27Å; P452-I456 VanDerWaalsContact O-CG1 3.22Å; P452-I456 WeakPolarHBondContact O-CG1 3.37Å; P452-I456 PolarHBondContact O-N 3.28Å; P452-I456 VanDerWaalsContact O-N 3.12Å
453	R	81	Confident	72.5	Confident	192 Å²	192	104.6 Å²	104.6	73%	0.725	54%	0.54	S	S	*	.	H	α-helix	trans	-61.9	-49.1	172.2	-173.1	-178.6	-175	-172.7	1.6	113.1	D451 I456 L457	D451-R453 CarbonylContact O-C 3.57Å; D451-R453 PolarHBondContact O-N 3.14Å; R453-I456 PolarHBondContact O-N 2.82Å; R453-L457 HydrophobicContact CG-CD1 3.96Å; R453-L457 WeakPolarHBondContact O-CB 3.41Å; R453-L457 VanDerWaalsContact O-CG 3.26Å; R453-L457 WeakPolarHBondContact O-CG 3.41Å; R453-L457 PolarHBondContact O-N 3.46Å
454	E	79.4	Confident	73.3	Confident	114 Å²	114	109.7 Å²	109.7	53%	0.533	56%	0.558	S	S	.	*	H	α-helix	trans	-69.6	-37.7	-178.8	-66.7	-167.7	155.1	0	0	111.3	L450 D451 I456 L457 R458	L450-E454 HydrophobicContact CB-CB 4.46Å; L450-E454 HydrophobicContact CD2-CB 3.64Å; L450-E454 WeakPolarHBondContact CD2-OE2 3.46Å; D451-E454 PolarHBondContact O-N 2.76Å; E454-I456 VanDerWaalsContact C-N 3.35Å; E454-I456 PolarHBondContact O-N 2.96Å; E454-L457 PolarHBondContact O-N 3.05Å; E454-R458 WeakPolarHBondContact O-CB 3.36Å; E454-R458 PolarHBondContact O-N 3.04Å
455	A	78.9	Confident	74.7	Confident	36 Å²	36	109 Å²	109	30%	0.298	56%	0.557	S	S	.	*	H	α-helix	trans	-58.8	-44.7	173.9	0	0	0	0	0	111.8	L450 D451 H459	L450-A455 HydrophobicContact CB-CB 4.18Å; D451-A455 PolarHBondContact O-N 2.98Å; A455-H459 PolarHBondContact O-CD2 3.12Å; A455-H459 VanDerWaalsContact O-CD2 3.31Å
456	I	80.1	Confident	76.1	Confident	125 Å²	125	110.1 Å²	110.1	64%	0.641	57%	0.569	S	S	*	*	H	α-helix	trans	-67.3	-44.1	176.5	-67.4	165.9	0	0	0	111.1	P452 R453 E454 R458 H459 A460	P452-I456 WeakPolarHBondContact O-CD1 3.27Å; P452-I456 VanDerWaalsContact O-CG1 3.22Å; P452-I456 WeakPolarHBondContact O-CG1 3.37Å; P452-I456 PolarHBondContact O-N 3.28Å; P452-I456 VanDerWaalsContact O-N 3.12Å; R453-I456 PolarHBondContact O-N 2.82Å; E454-I456 VanDerWaalsContact C-N 3.35Å; E454-I456 PolarHBondContact O-N 2.96Å; I456-R458 VanDerWaalsContact C-N 3.29Å; I456-R458 PolarHBondContact O-N 2.99Å; I456-H459 PolarHBondContact O-N 3.08Å; I456-A460 PolarHBondContact O-N 3.4Å; I456-A460 VanDerWaalsContact O-N 3.14Å
457	L	84.1	Confident	77.3	Confident	104 Å²	104	109.3 Å²	109.3	55%	0.545	57%	0.568	S	S	.	*	H	α-helix	trans	-63.8	-33.2	-179	-75.4	170.2	0	0	0	112.9	R453 E454 H459 A460	R453-L457 HydrophobicContact CG-CD1 3.96Å; R453-L457 WeakPolarHBondContact O-CB 3.41Å; R453-L457 VanDerWaalsContact O-CG 3.26Å; R453-L457 WeakPolarHBondContact O-CG 3.41Å; R453-L457 PolarHBondContact O-N 3.46Å; E454-L457 PolarHBondContact O-N 3.05Å; L457-H459 VanDerWaalsContact C-N 3.26Å; L457-H459 PolarHBondContact O-N 3.34Å; L457-A460 WeakPolarHBondContact O-CB 3.19Å; L457-A460 PolarHBondContact O-N 3.13Å
458	R	80.3	Confident	78.3	Confident	138 Å²	138	112.5 Å²	112.5	52%	0.521	57%	0.572	S	S	.	*	H	α-helix	trans	-58.7	-38.8	175.9	-173.6	-179.9	-175.9	172.3	-0.3	112.2	D446 D447 E454 I456	D446-R458 PolarHBondContact O-NH1 2.95Å; D446-R458 VanDerWaalsContact O-NH1 3.15Å; D447-R458 IonicContact OD1-NH1 3.76Å; E454-R458 WeakPolarHBondContact O-CB 3.36Å; E454-R458 PolarHBondContact O-N 3.04Å; I456-R458 VanDerWaalsContact C-N 3.29Å; I456-R458 PolarHBondContact O-N 2.99Å
459	H	80.7	Confident	79	Confident	116 Å²	116	118.4 Å²	118.4	54%	0.537	59%	0.587	S	S	.	*	H	α-helix	trans	-92.3	-8.7	-178.6	-65.4	-66.7	0	0	0	113.8	A455 I456 L457 A462 A463	A455-H459 PolarHBondContact O-CD2 3.12Å; A455-H459 VanDerWaalsContact O-CD2 3.31Å; I456-H459 PolarHBondContact O-N 3.08Å; L457-H459 VanDerWaalsContact C-N 3.26Å; L457-H459 PolarHBondContact O-N 3.34Å; H459-A462 PolarHBondContact O-N 3.01Å; H459-A463 WeakPolarHBondContact O-CB 3.37Å; H459-A463 PolarHBondContact O-N 2.82Å
460	A	84	Confident	79.9	Confident	39 Å²	39	115.8 Å²	115.8	32%	0.322	58%	0.576	S	S	.	*	H	α-helix	trans	-60.8	-48.3	-177.2	0	0	0	0	0	112.8	I456 L457 A463 E464	I456-A460 PolarHBondContact O-N 3.4Å; I456-A460 VanDerWaalsContact O-N 3.14Å; L457-A460 WeakPolarHBondContact O-CB 3.19Å; L457-A460 PolarHBondContact O-N 3.13Å; A460-A463 PolarHBondContact O-N 3.07Å; A460-E464 PolarHBondContact O-N 2.85Å; A460-E464 VanDerWaalsContact O-N 3.14Å
461	K	82.7	Confident	80.6	Confident	155 Å²	155	115.7 Å²	115.7	67%	0.674	58%	0.583	S	S	*	*	H	α-helix	trans	-63.1	-43.4	177.6	-70.8	-174.2	177.2	-177	0	112.5	A463 E464 E465	K461-A463 VanDerWaalsContact C-N 3.32Å; K461-A463 PolarHBondContact O-N 2.83Å; K461-E464 PolarHBondContact O-N 3.4Å; K461-E465 WeakPolarHBondContact O-CG 3.48Å; K461-E465 PolarHBondContact O-N 3.2Å
462	A	83.9	Confident	80.7	Confident	54 Å²	54	113.5 Å²	113.5	45%	0.446	58%	0.575	S	S	.	*	H	α-helix	trans	-65	-35.8	178.9	0	0	0	0	0	112.3	H459 E464 D466	H459-A462 PolarHBondContact O-N 3.01Å; A462-E464 VanDerWaalsContact C-N 3.34Å; A462-D466 PolarHBondContact O-N 2.84Å
463	A	81.6	Confident	80.7	Confident	65 Å²	65	112.5 Å²	112.5	54%	0.537	58%	0.575	S	S	.	*	H	α-helix	trans	-70.6	-27.9	175.8	0	0	0	0	0	113.2	H459 A460 K461	H459-A463 WeakPolarHBondContact O-CB 3.37Å; H459-A463 PolarHBondContact O-N 2.82Å; A460-A463 PolarHBondContact O-N 3.07Å; K461-A463 VanDerWaalsContact C-N 3.32Å; K461-A463 PolarHBondContact O-N 2.83Å
464	E	81.1	Confident	80.6	Confident	164 Å²	164	109.3 Å²	109.3	77%	0.766	56%	0.564	S	S	*	*	H	α-helix	trans	-76.3	-42.7	172.9	-76.4	-179	175.4	0	0	112.5	A460 K461 A462	A460-E464 PolarHBondContact O-N 2.85Å; A460-E464 VanDerWaalsContact O-N 3.14Å; K461-E464 PolarHBondContact O-N 3.4Å; A462-E464 VanDerWaalsContact C-N 3.34Å
465	E	86.5	Confident	80.5	Confident	151 Å²	151	112.7 Å²	112.7	71%	0.706	58%	0.577	S	S	*	*	H	α-helix	trans	-71.5	-45.5	-177.9	-71.8	175.3	-178.1	0	0	112.3	K461 P467	K461-E465 WeakPolarHBondContact O-CG 3.48Å; K461-E465 PolarHBondContact O-N 3.2Å; E465-P467 WeakPolarHBondContact O-CD 3.35Å
466	D	84.9	Confident	80.5	Confident	139 Å²	139	122.6 Å²	122.6	74%	0.743	61%	0.606	S	S	*	*			trans	-128.1	74.6	-176.6	-82.4	-32.8	0	0	0	112.8	A462 Y468	A462-D466 PolarHBondContact O-N 2.84Å; D466-Y468 PolarHBondContact O-N 3.31Å
467	P	83	Confident	80.6	Confident	61 Å²	61	121.5 Å²	121.5	40%	0.396	61%	0.606	S	S	.	*			trans	-70.1	93.4	177.2	26.2	-32.5	0	0	0	111.6	E465 A471 P472	E465-P467 WeakPolarHBondContact O-CD 3.35Å; P467-A471 HydrophobicContact CB-CB 3.45Å; P467-A471 VanDerWaalsContact CB-CB 3.45Å; P467-P472 WeakPolarHBondContact O-CD 3.35Å; P467-P472 WeakPolarHBondContact O-CG 3.17Å
468	Y	78.6	Confident	80.4	Confident	190 Å²	190	122.9 Å²	122.9	75%	0.745	61%	0.609	S	S	*	*			trans	-93	-54.5	-179.8	-171.6	-103.7	0	0	0	114.3	D466	D466-Y468 PolarHBondContact O-N 3.31Å
469	W	74.6	Confident	80.5	Confident	226 Å²	226	121.3 Å²	121.3	86%	0.856	62%	0.617	S	S	*	*	S	Bend	trans	-79.2	-59.3	-167.6	-67.6	-75.3	0	0	0	114.7
470	V	75.5	Confident	80.2	Confident	94 Å²	94	124.7 Å²	124.7	57%	0.57	63%	0.633	S	S	*	*	S	Bend	trans	-111.6	-44.3	-163.6	-178.2	0	0	0	0	112.1	P472 A473 Y474	V470-P472 VanDerWaalsContact C-CD 3.44Å; V470-A473 PolarHBondContact O-N 2.9Å; V470-A473 VanDerWaalsContact O-N 3.1Å; V470-Y474 HydrophobicContact CG1-CD2 3.52Å; V470-Y474 HydrophobicContact CG1-CE2 3.68Å; V470-Y474 WeakPolarHBondContact O-CD2 3.42Å; V470-Y474 PolarHBondContact O-N 2.93Å
471	A	77.1	Confident	79.7	Confident	54 Å²	54	128.8 Å²	128.8	45%	0.446	65%	0.654	S	S	.	*	H	α-helix	trans	-57	-36.5	-173.5	0	0	0	0	0	115.1	P467 A473 K475	P467-A471 HydrophobicContact CB-CB 3.45Å; P467-A471 VanDerWaalsContact CB-CB 3.45Å; A471-A473 VanDerWaalsContact C-N 3.35Å; A471-A473 PolarHBondContact O-N 2.82Å; A471-K475 WeakPolarHBondContact O-CB 3.46Å; A471-K475 PolarHBondContact O-N 3.45Å; A471-K475 VanDerWaalsContact O-N 3.15Å
472	P	79	Confident	79.6	Confident	73 Å²	73	128.1 Å²	128.1	47%	0.474	66%	0.663	S	S	.	*	H	α-helix	trans	-64.1	-36.7	176	-22.8	34.3	0	0	0	113.6	P467 V470	P467-P472 WeakPolarHBondContact O-CD 3.35Å; P467-P472 WeakPolarHBondContact O-CG 3.17Å; V470-P472 VanDerWaalsContact C-CD 3.44Å
473	A	78	Confident	79	Confident	72 Å²	72	132.4 Å²	132.4	60%	0.595	68%	0.678	S	S	*	*	H	α-helix	trans	-71	-38.2	-176.2	0	0	0	0	0	112	V470 A471	V470-A473 PolarHBondContact O-N 2.9Å; V470-A473 VanDerWaalsContact O-N 3.1Å; A471-A473 VanDerWaalsContact C-N 3.35Å; A471-A473 PolarHBondContact O-N 2.82Å
474	Y	78.1	Confident	78.6	Confident	125 Å²	125	133.9 Å²	133.9	49%	0.49	69%	0.69	S	S	.	*	H	α-helix	trans	-97.2	-3.6	-175.1	-65.1	-82.1	0	0	0	114.2	V470 R476 T477 Q478	V470-Y474 HydrophobicContact CG1-CD2 3.52Å; V470-Y474 HydrophobicContact CG1-CE2 3.68Å; V470-Y474 WeakPolarHBondContact O-CD2 3.42Å; V470-Y474 PolarHBondContact O-N 2.93Å; Y474-R476 PolarHBondContact O-N 3.4Å; Y474-T477 PolarHBondContact O-N 2.77Å; Y474-T477 PolarHBondContact O-OG1 2.82Å; Y474-Q478 VanDerWaalsContact CB-OE1 3.32Å; Y474-Q478 WeakPolarHBondContact O-CB 3.15Å; Y474-Q478 PolarHBondContact O-N 3.36Å
475	K	78.3	Confident	77.8	Confident	185 Å²	185	134.9 Å²	134.9	80%	0.804	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53	-27.9	178.9	-161.6	170	-174.3	172.9	0	113.6	A471	A471-K475 WeakPolarHBondContact O-CB 3.46Å; A471-K475 PolarHBondContact O-N 3.45Å; A471-K475 VanDerWaalsContact O-N 3.15Å
476	R	78	Confident	76.3	Confident	244 Å²	244	132.9 Å²	132.9	92%	0.921	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-27.4	177.1	-75.7	-178.8	160.6	164.6	-4.2	114.5	Y474	Y474-R476 PolarHBondContact O-N 3.4Å
477	T	82.7	Confident	74.8	Confident	103 Å²	103	132.2 Å²	132.2	63%	0.632	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.8	-9.6	-170.7	52.9	0	0	0	0	113.4	Y474 P479	Y474-T477 PolarHBondContact O-N 2.77Å; Y474-T477 PolarHBondContact O-OG1 2.82Å; T477-P479 WeakPolarHBondContact O-CD 3.23Å
478	Q	80	Confident	73.2	Confident	132 Å²	132	137.9 Å²	137.9	62%	0.617	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-70.6	121.7	-177	-153.6	83.5	21.2	0	0	110.6	Y474	Y474-Q478 VanDerWaalsContact CB-OE1 3.32Å; Y474-Q478 WeakPolarHBondContact O-CB 3.15Å; Y474-Q478 PolarHBondContact O-N 3.36Å
479	P	81.2	Confident	71.6	Confident	106 Å²	106	137.3 Å²	137.3	69%	0.688	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-64.9	140.6	171.7	26.7	-32.7	0	0	0	110.3	T477 T481	T477-P479 WeakPolarHBondContact O-CD 3.23Å; P479-T481 PolarHBondContact O-N 3.15Å
480	Q	75.8	Confident	70.3	Confident	186 Å²	186	135.2 Å²	135.2	87%	0.869	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-72.2	123.2	174.6	-68	-178.4	-4.2	0	0	109.5	V482	Q480-V482 PolarHBondContact O-N 3.19Å; Q480-V482 VanDerWaalsContact O-N 3.16Å
481	T	73	Confident	68.6	Low	125 Å²	125	138.1 Å²	138.1	77%	0.767	73%	0.733	S	S	*	*			trans	-70.4	108.8	177.7	50.3	0	0	0	0	109.9	P479 L483	P479-T481 PolarHBondContact O-N 3.15Å; T481-L483 PolarHBondContact O-N 2.96Å
482	V	79.7	Confident	67.2	Low	141 Å²	141	142.1 Å²	142.1	86%	0.855	75%	0.746	S	S	*	*			trans	-88.3	95.2	166.1	-175.5	0	0	0	0	107	Q480	Q480-V482 PolarHBondContact O-N 3.19Å; Q480-V482 VanDerWaalsContact O-N 3.16Å
483	L	73.1	Confident	65.7	Low	145 Å²	145	146 Å²	146	76%	0.759	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-69.4	139.5	171.8	-66.9	172.1	0	0	0	108.7	T481 Q485	T481-L483 PolarHBondContact O-N 2.96Å; L483-Q485 PolarHBondContact O-N 3.16Å
484	A	72.6	Confident	64.4	Low	96 Å²	96	148.4 Å²	148.4	79%	0.793	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-56.1	128.1	167.8	0	0	0	0	0	108	S486	A484-S486 PolarHBondContact O-N 2.93Å; A484-S486 VanDerWaalsContact O-N 3.14Å
485	Q	64.3	Low	63.3	Low	185 Å²	185	149.3 Å²	149.3	86%	0.864	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-55.5	123.8	170.5	-71.6	177.1	-15.4	0	0	106.9	L483 V487	L483-Q485 PolarHBondContact O-N 3.16Å; Q485-V487 PolarHBondContact O-N 2.91Å
486	S	54.4	Low	62.3	Low	108 Å²	108	148.9 Å²	148.9	76%	0.755	78%	0.78	S	S	*	*			trans	-54	111.1	171.7	48.3	0	0	0	0	106.9	A484 E488	A484-S486 PolarHBondContact O-N 2.93Å; A484-S486 VanDerWaalsContact O-N 3.14Å; S486-E488 PolarHBondContact O-N 3.24Å
487	V	53.4	Low	61.4	Low	126 Å²	126	145.1 Å²	145.1	76%	0.764	78%	0.778	S	S	*	*			trans	-58.1	115.7	164.3	178.2	0	0	0	0	104.2	Q485 E489	Q485-V487 PolarHBondContact O-N 2.91Å; V487-E489 PolarHBondContact O-N 3.26Å
488	E	49.3	Very low	60.2	Low	179 Å²	179	145.1 Å²	145.1	84%	0.836	77%	0.77	S	S	*	*			trans	-58.7	92.5	167.1	-68.6	177	166.6	0	0	106.2	S486 K490	S486-E488 PolarHBondContact O-N 3.24Å; E488-K490 VanDerWaalsContact C-N 3.3Å; E488-K490 PolarHBondContact O-N 3.48Å
489	E	46	Very low	59.1	Low	178 Å²	178	142 Å²	142	83%	0.832	76%	0.761	S	S	*	*			trans	-62.5	102.2	165.8	-79.5	-176.1	167.9	0	0	105.7	V487 N491	V487-E489 PolarHBondContact O-N 3.26Å; E489-N491 PolarHBondContact O-N 2.96Å
490	K	46.5	Very low	58.2	Low	182 Å²	182	142.7 Å²	142.7	79%	0.791	76%	0.764	S	S	*	*			trans	-49.5	125.2	168	-72.7	174.9	176.6	174.2	0	107.4	E488 D492	E488-K490 VanDerWaalsContact C-N 3.3Å; E488-K490 PolarHBondContact O-N 3.48Å; K490-D492 VanDerWaalsContact C-N 3.31Å; K490-D492 PolarHBondContact O-N 3.22Å
491	N	40.3	Very low	57.7	Low	155 Å²	155	142.6 Å²	142.6	83%	0.829	76%	0.757	S	S	*	*			trans	-53.2	94.4	168.1	-66.5	-32.2	0	0	0	109.1	E489	E489-N491 PolarHBondContact O-N 2.96Å
492	D	46.3	Very low	57.3	Low	138 Å²	138	142.5 Å²	142.5	74%	0.738	75%	0.746	S	S	*	*			trans	-97.8	108.4	160.6	-83.6	-18.7	0	0	0	106.7	K490 N494	K490-D492 VanDerWaalsContact C-N 3.31Å; K490-D492 PolarHBondContact O-N 3.22Å; D492-N494 PolarHBondContact O-N 3.43Å
493	D	48.6	Very low	56.4	Low	156 Å²	156	141.5 Å²	141.5	83%	0.834	73%	0.732	S	S	*	*			trans	-62.7	62.2	-179.3	-71.3	-42.7	0	0	0	113.2
494	N	50.2	Low	55.4	Low	122 Å²	122	145 Å²	145	65%	0.652	74%	0.735	S	S	*	*			trans	-115.1	83.6	174.6	-76.6	-30.1	0	0	0	110.9	D492 E496	D492-N494 PolarHBondContact O-N 3.43Å; N494-E496 PolarHBondContact O-N 3.16Å
495	N	54.9	Low	54.6	Low	144 Å²	144	152.3 Å²	152.3	77%	0.77	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	20.8	171.3	-89	-21.4	0	0	0	114.6
496	E	57.2	Low	54	Low	176 Å²	176	149 Å²	149	82%	0.822	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	-1.5	-173.5	-71.1	-169.5	157.4	0	0	114.6	N494	N494-E496 PolarHBondContact O-N 3.16Å
497	L	58.8	Low	53.7	Low	165 Å²	165	152 Å²	152	86%	0.864	74%	0.738	S	S	*	*			trans	-114.1	11.4	-176.2	-70.5	170.4	0	0	0	115
498	E	58	Low	53.6	Low	102 Å²	102	151 Å²	151	48%	0.477	74%	0.742	S	S	.	*	S	Bend	trans	-75.2	131.9	172.2	-68.5	-156.7	144.6	0	0	111.7	V500	E498-V500 PolarHBondContact O-N 3.08Å
499	P	58	Low	53.4	Low	66 Å²	66	156.2 Å²	156.2	43%	0.429	76%	0.762	S	S	.	*			trans	-64.2	133.8	178.8	26.9	-34.5	0	0	0	110.9	Y501 K502	P499-Y501 HydrophobicContact CB-CD1 3.73Å; P499-Y501 HydrophobicContact CB-CE1 3.5Å; P499-Y501 HydrophobicContact CG-CD1 4.01Å; P499-Y501 HydrophobicContact CG-CE1 3.37Å; P499-Y501 PolarHBondContact O-N 2.99Å; P499-K502 PolarHBondContact O-N 3.08Å
500	V	61	Low	53.8	Low	122 Å²	122	155.1 Å²	155.1	74%	0.739	76%	0.759	S	S	*	*	G	3₁₀ helix	trans	-46.9	-23.7	-170.5	-179	0	0	0	0	115.3	E498 K502	E498-V500 PolarHBondContact O-N 3.08Å; V500-K502 VanDerWaalsContact C-N 3.33Å; V500-K502 PolarHBondContact O-N 3.45Å
501	Y	66.5	Low	54.2	Low	184 Å²	184	153.7 Å²	153.7	72%	0.722	76%	0.757	S	S	*	*	G	3₁₀ helix	trans	-75.3	-15.2	179.2	75.4	-91.4	0	0	0	114.7	P499	P499-Y501 HydrophobicContact CB-CD1 3.73Å; P499-Y501 HydrophobicContact CB-CE1 3.5Å; P499-Y501 HydrophobicContact CG-CD1 4.01Å; P499-Y501 HydrophobicContact CG-CE1 3.37Å; P499-Y501 PolarHBondContact O-N 2.99Å
502	K	63.4	Low	55	Low	122 Å²	122	153.6 Å²	153.6	53%	0.53	75%	0.753	S	S	.	*	G	3₁₀ helix	trans	-88.5	-13.4	176	-77.5	-171	175.7	-178.1	0	113.9	P499 V500 R504	P499-K502 PolarHBondContact O-N 3.08Å; V500-K502 VanDerWaalsContact C-N 3.33Å; V500-K502 PolarHBondContact O-N 3.45Å; K502-R504 PolarHBondContact O-N 3.43Å
503	Q	60.9	Low	55.5	Low	121 Å²	121	154.5 Å²	154.5	57%	0.565	75%	0.754	S	S	*	*	S	Bend	trans	-76	111.2	176	-65.7	179.5	-7.1	0	0	109.3	R505	Q503-R505 PolarHBondContact O-N 3.11Å
504	R	53	Low	55.9	Low	218 Å²	218	154.4 Å²	154.4	82%	0.823	75%	0.749	S	S	*	*			trans	-63.7	125.7	174.6	-81.6	-174.8	175.6	-179	-0.5	109.9	K502 D506	K502-R504 PolarHBondContact O-N 3.43Å; R504-D506 VanDerWaalsContact C-N 3.3Å; R504-D506 PolarHBondContact O-N 2.98Å; R504-D506 VanDerWaalsContact O-N 3.11Å
505	R	56.1	Low	56.3	Low	250 Å²	250	156.6 Å²	156.6	94%	0.943	76%	0.755	S	S	*	*			trans	-79.7	79.7	168.1	-75.9	-176.8	174.4	179.9	-2.1	109.4	Q503	Q503-R505 PolarHBondContact O-N 3.11Å
506	D	51.8	Low	56.4	Low	115 Å²	115	157.5 Å²	157.5	62%	0.615	75%	0.754	S	S	*	*			trans	-105.4	86.8	168.4	-64.1	-29.3	0	0	0	107	R504	R504-D506 VanDerWaalsContact C-N 3.3Å; R504-D506 PolarHBondContact O-N 2.98Å; R504-D506 VanDerWaalsContact O-N 3.11Å
507	D	47.9	Very low	56.3	Low	172 Å²	172	156.1 Å²	156.1	92%	0.92	75%	0.749	S	S	*	*			trans	179.5	92.3	158.6	-88.7	-25.1	0	0	0	111.7
508	A	51	Low	56.1	Low	104 Å²	104	155.3 Å²	155.3	86%	0.86	74%	0.74	S	S	*	*			trans	-149.8	103	152	0	0	0	0	0	107.6
509	K	45.6	Very low	55.9	Low	288 Å²	288	160.2 Å²	160.2	100%	1.252	76%	0.763	S	S	*	*			trans	-64.8	0	167.1	-89.8	-179.5	175.9	173.3	0	111.6

Retrieved 509 of 509 residues in 132.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).