A0A087XTE6_POEFO Loading...

N-acetylaspartylglutamate synthase

AlphaFold DB , UniProt , Accession A0A087XTE6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 424 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	H	34.5	Very low	32.3	Very low	231 Å²	231	154.1 Å²	154.1	100%	1.069	82%	0.819	S	S	*	*				0	87.5	0	-69.4	-81.2	0	0	0	107.2
2	H	31.2	Very low	32	Very low	170 Å²	170	148.3 Å²	148.3	79%	0.787	80%	0.8	S	S	*	*				55.4	125.8	103.9	-78.8	-52.7	0	0	0	111.3
3	L	31.3	Very low	31.8	Very low	134 Å²	134	146.2 Å²	146.2	70%	0.702	80%	0.802	S	S	*	*			cis	-179.9	145.1	10.8	-126.5	158.5	0	0	0	105
4	S	33	Very low	31.7	Very low	99 Å²	99	148.9 Å²	148.9	69%	0.692	80%	0.802	S	S	*	*			trans	50.2	146.1	142.6	57	0	0	0	0	121.3
5	S	32	Very low	31.7	Very low	109 Å²	109	144.5 Å²	144.5	76%	0.762	79%	0.794	S	S	*	*			cis	-179.8	151.6	4.8	42.6	0	0	0	0	107.2
6	L	38.7	Very low	31.8	Very low	155 Å²	155	141.4 Å²	141.4	81%	0.812	79%	0.786	S	S	*	*			trans	-45.1	148.3	160.6	-68.2	111.2	0	0	0	113.3
7	H	30.3	Very low	31.8	Very low	184 Å²	184	144.4 Å²	144.4	85%	0.852	79%	0.789	S	S	*	*				-173.5	135.2	114.5	-101.1	74.3	0	0	0	111.1
8	G	33.3	Very low	32	Very low	70 Å²	70	141.5 Å²	141.5	72%	0.722	78%	0.781	S	S	*	*			trans	-64.8	146.9	176.1	0	0	0	0	0	112.4
9	V	30.9	Very low	32.2	Very low	138 Å²	138	140.4 Å²	140.4	84%	0.836	78%	0.779	S	S	*	*			trans	-109.4	106	168.3	-179.3	0	0	0	0	107.3	F11	V9-F11 PolarHBondContact O-N 3.37Å
10	F	29.5	Very low	32.4	Very low	195 Å²	195	141.1 Å²	141.1	86%	0.855	78%	0.78	S	S	*	*			trans	-48.7	122.9	162.9	-89.4	-104.9	0	0	0	109.8	S12	F10-S12 VanDerWaalsContact C-N 3.28Å; F10-S12 PolarHBondContact O-N 2.86Å
11	F	30.7	Very low	32.8	Very low	210 Å²	210	142.6 Å²	142.6	92%	0.921	78%	0.782	S	S	*	*			trans	-69.4	92	155.5	-99.3	-93.2	0	0	0	107.2	V9 C13	V9-F11 PolarHBondContact O-N 3.37Å; F11-C13 PolarHBondContact O-N 3.07Å; F11-C13 VanDerWaalsContact O-N 3.07Å
12	S	29	Very low	33.5	Very low	84 Å²	84	137.7 Å²	137.7	59%	0.587	77%	0.768	S	S	*	*			trans	-70.4	102.9	163.4	76.1	0	0	0	0	107	F10 F14	F10-S12 VanDerWaalsContact C-N 3.28Å; F10-S12 PolarHBondContact O-N 2.86Å; S12-F14 PolarHBondContact O-N 3.01Å
13	C	29.1	Very low	34.9	Very low	122 Å²	122	136.8 Å²	136.8	82%	0.824	77%	0.766	S	S	*	*			trans	-62.9	90.4	160.9	-160.1	0	0	0	0	106.5	F11 A15	F11-C13 PolarHBondContact O-N 3.07Å; F11-C13 VanDerWaalsContact O-N 3.07Å; C13-A15 PolarHBondContact O-N 2.77Å
14	F	29.9	Very low	37.3	Very low	184 Å²	184	132.8 Å²	132.8	81%	0.807	75%	0.749	S	S	*	*			trans	-67.8	86.6	160.8	-106	-89.9	0	0	0	105.4	S12 S16	S12-F14 PolarHBondContact O-N 3.01Å; F14-S16 PolarHBondContact O-N 2.85Å
15	A	32.3	Very low	40.2	Very low	82 Å²	82	129.1 Å²	129.1	68%	0.678	72%	0.723	S	S	*	*			trans	-57.9	84.6	148.7	0	0	0	0	0	105.6	C13 K17	C13-A15 PolarHBondContact O-N 2.77Å; A15-K17 VanDerWaalsContact C-N 3.26Å; A15-K17 PolarHBondContact O-N 2.72Å
16	S	32.4	Very low	43.2	Very low	96 Å²	96	125.5 Å²	125.5	67%	0.671	69%	0.692	S	S	*	*			trans	-49.6	107.3	154	169.9	0	0	0	0	104	F14 S18	F14-S16 PolarHBondContact O-N 2.85Å; S16-S18 PolarHBondContact O-N 2.88Å
17	K	32.4	Very low	46	Very low	192 Å²	192	118.1 Å²	118.1	84%	0.835	65%	0.654	S	S	*	*			trans	-54.7	92.6	156.7	-76.5	177	176.1	177.9	0	103.6	A15 T19	A15-K17 VanDerWaalsContact C-N 3.26Å; A15-K17 PolarHBondContact O-N 2.72Å; K17-T19 PolarHBondContact O-N 3.18Å
18	S	35.5	Very low	49.3	Very low	92 Å²	92	109.3 Å²	109.3	64%	0.643	61%	0.613	S	S	*	*			trans	-60.1	88.7	155.7	60.8	0	0	0	0	103.2	S16 L20	S16-S18 PolarHBondContact O-N 2.88Å; S18-L20 PolarHBondContact O-N 3.44Å
19	T	35	Very low	52.4	Low	121 Å²	121	106 Å²	106	74%	0.742	58%	0.579	S	S	*	*			trans	-43.5	106.3	146.4	-41.9	0	0	0	0	102.4	K17 Q21	K17-T19 PolarHBondContact O-N 3.18Å; T19-Q21 PolarHBondContact O-N 2.74Å
20	L	37.8	Very low	55.5	Low	154 Å²	154	99.5 Å²	99.5	81%	0.806	54%	0.539	S	S	*	.			trans	-56	89.5	165.5	-92.8	136.5	0	0	0	102.9	S18 T22	S18-L20 PolarHBondContact O-N 3.44Å; L20-T22 PolarHBondContact O-N 2.83Å
21	Q	39.3	Very low	58.7	Low	173 Å²	173	90.2 Å²	90.2	81%	0.808	50%	0.499	S	S	*	.			trans	-65.5	93.7	167.4	-171	172.5	10.5	0	0	100.9	T19 M23	T19-Q21 PolarHBondContact O-N 2.74Å; Q21-M23 VanDerWaalsContact C-N 3.32Å; Q21-M23 PolarHBondContact O-N 2.64Å
22	T	49.4	Very low	61.6	Low	128 Å²	128	80.8 Å²	80.8	79%	0.785	46%	0.458	S	S	*	.			trans	-48	108.2	175.2	-28.6	0	0	0	0	103.8	L20 C24	L20-T22 PolarHBondContact O-N 2.83Å; T22-C24 VanDerWaalsContact C-N 3.3Å; T22-C24 PolarHBondContact O-N 3.48Å
23	M	61.7	Low	64.6	Low	151 Å²	151	83.1 Å²	83.1	74%	0.744	45%	0.454	S	S	*	.			trans	-58.8	103.4	-177.6	-82.6	-95.1	-179	0	0	105.3	Q21 S25	Q21-M23 VanDerWaalsContact C-N 3.32Å; Q21-M23 PolarHBondContact O-N 2.64Å; M23-S25 PolarHBondContact O-N 2.74Å; M23-S25 VanDerWaalsContact O-N 3.09Å
24	C	80.3	Confident	67.5	Low	50 Å²	50	82.2 Å²	82.2	34%	0.338	43%	0.433	S	S	.	.			trans	-59.3	120.2	178.9	-177.6	0	0	0	0	106.1	T22	T22-C24 VanDerWaalsContact C-N 3.3Å; T22-C24 PolarHBondContact O-N 3.48Å
25	S	94.1	Very high	70.4	Confident	22 Å²	22	73.9 Å²	73.9	15%	0.154	40%	0.397	C	S	.	.			trans	-66	138	178	-67.9	0	0	0	0	107.7	M23 V57 E58 S328	M23-S25 PolarHBondContact O-N 2.74Å; M23-S25 VanDerWaalsContact O-N 3.09Å; S25-V57 CarbonylContact O-C 3.55Å; S25-V57 WeakPolarHBondContact O-CA 3.21Å; S25-V57 WeakPolarHBondContact O-CG1 3.24Å; S25-E58 PolarHBondContact O-N 3.09Å; S25-S328 PolarHBondContact OG-OG 3.16Å
26	R	95.6	Very high	73.2	Confident	32 Å²	32	70.5 Å²	70.5	12%	0.121	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	127.5	-173.6	-80.2	175.6	-138.2	116.3	2.1	110.2	E58 S87 Y88 P89 Q90 V91	R26-E58 VanDerWaalsContact CA-O 3.27Å; R26-E58 WeakPolarHBondContact CA-O 3.36Å; R26-E58 WeakPolarHBondContact CD-OE2 3.38Å; R26-E58 HydrophobicContact CG-CB 3.72Å; R26-E58 HydrophobicContact CG-CG 4Å; R26-E58 VanDerWaalsContact CG-OE2 3.29Å; R26-E58 WeakPolarHBondContact CG-OE2 3.47Å; R26-E58 IonicContact NE-OE2 2.93Å; R26-E58 PolarHBondContact NE-OE2 3.36Å; R26-S87 VanDerWaalsContact CZ-CB 3.43Å; R26-S87 PolarHBondContact NH2-OG 2.93Å; R26-Y88 PolarHBondContact NH1-O 3.34Å; R26-P89 HydrophobicContact CB-CB 4.3Å; R26-Q90 PolarHBondContact O-N 3.06Å; R26-Q90 PolarHBondContact O-OE1 2.9Å; R26-V91 PolarHBondContact O-N 3.42Å
27	V	97.9	Very high	76.1	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130.2	175.7	176.1	0	0	0	0	109	L48 V57 E58 F59 R60 V91 L326	V27-L48 HydrophobicContact CG1-CD1 4.14Å; V27-L48 HydrophobicContact CG1-CD2 3.96Å; V27-L48 HydrophobicContact CG1-CG 4.24Å; V27-V57 HydrophobicContact CB-CG1 4.11Å; V27-V57 HydrophobicContact CG2-CG1 3.63Å; V27-E58 PolarHBondContact N-O 2.97Å; V27-F59 WeakPolarHBondContact O-CA 3.22Å; V27-F59 WeakPolarHBondContact O-CD2 3.47Å; V27-R60 PolarHBondContact O-N 2.68Å; V27-R60 VanDerWaalsContact O-N 3.13Å; V27-V91 WeakPolarHBondContact CA-O 3.47Å; V27-V91 HydrophobicContact CG2-CB 4.27Å; V27-L326 HydrophobicContact CG2-CD1 4.1Å; V27-L326 HydrophobicContact CG2-CD2 3.99Å; V27-L326 HydrophobicContact CG2-CG 4.3Å
28	W	98.1	Very high	78.8	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	140.9	170.5	-69.2	4.8	0	0	0	111	V30 R60 L62 L78 V85 P89 V91 V92 L93 L113	W28-V30 HydrophobicContact CB-CG2 4.18Å; W28-V30 HydrophobicContact CE3-CG2 4.46Å; W28-R60 CarbonylContact C-O 3.57Å; W28-R60 VanDerWaalsContact CA-O 3.3Å; W28-R60 WeakPolarHBondContact CA-O 3.35Å; W28-R60 HydrophobicContact CG-CB 4.23Å; W28-L62 HydrophobicContact CD2-CD1 3.81Å; W28-L62 HydrophobicContact CE3-CD1 3.45Å; W28-L62 VanDerWaalsContact CE3-CD1 3.45Å; W28-L62 HydrophobicContact CH2-CD1 3.98Å; W28-L62 HydrophobicContact CZ2-CD1 4.32Å; W28-L62 HydrophobicContact CZ3-CD1 3.54Å; W28-L78 HydrophobicContact CH2-CD1 4.15Å; W28-L78 HydrophobicContact CZ3-CD1 4.13Å; W28-V85 HydrophobicContact CH2-CG1 3.95Å; W28-V85 HydrophobicContact CH2-CG2 4.27Å; W28-V85 HydrophobicContact CZ2-CG1 3.96Å; W28-P89 HydrophobicContact CB-CB 4.23Å; W28-P89 HydrophobicContact CB-CG 4.32Å; W28-P89 HydrophobicContact CD2-CB 3.92Å; W28-P89 HydrophobicContact CD2-CG 3.46Å; W28-P89 VanDerWaalsContact CD2-CG 3.46Å; W28-P89 HydrophobicContact CE3-CG 3.72Å; W28-P89 HydrophobicContact CG-CB 3.67Å; W28-P89 HydrophobicContact CG-CG 3.72Å; W28-P89 HydrophobicContact CZ2-CG 4.32Å; W28-P89 HydrophobicContact CZ3-CG 4.26Å; W28-V91 PolarHBondContact N-O 3.44Å; W28-V92 HydrophobicContact CB-CG1 4.29Å; W28-V92 HydrophobicContact CB-CG2 4.32Å; W28-V92 CarbonylContact O-C 3.33Å; W28-V92 WeakPolarHBondContact O-CA 3.45Å; W28-L93 PolarHBondContact O-N 2.68Å; W28-L113 HydrophobicContact CZ3-CD2 4.2Å
29	F	98.4	Very high	81	Confident	1 Å²	1	66.3 Å²	66.3	0%	0.004	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	116.6	161.1	-173.4	-126.2	0	0	0	108.5	T31 Q41 I44 L45 L48 F59 R60 Y61 L62 L93 R95	F29-T31 HydrophobicContact CE1-CG2 4.37Å; F29-Q41 HydrophobicContact CZ-CB 4.29Å; F29-I44 HydrophobicContact CD2-CG2 4.25Å; F29-I44 HydrophobicContact CE2-CB 4.44Å; F29-I44 HydrophobicContact CE2-CG2 3.63Å; F29-I44 HydrophobicContact CZ-CB 4.4Å; F29-I44 HydrophobicContact CZ-CG2 4.06Å; F29-L45 HydrophobicContact CD1-CB 3.94Å; F29-L45 HydrophobicContact CD1-CD1 3.97Å; F29-L45 HydrophobicContact CD1-CG 4.41Å; F29-L45 HydrophobicContact CE1-CB 3.9Å; F29-L48 HydrophobicContact CB-CD2 3.95Å; F29-L48 HydrophobicContact CD2-CD2 4.36Å; F29-L48 HydrophobicContact CG-CD2 4.46Å; F29-F59 HydrophobicContact CB-CE2 3.85Å; F29-F59 HydrophobicContact CB-CZ 3.82Å; F29-R60 PolarHBondContact N-O 2.76Å; F29-Y61 HydrophobicContact CB-CD2 4.25Å; F29-Y61 AromaticContact CD1-CD2 3.45Å; F29-Y61 HydrophobicContact CD1-CD2 3.45Å; F29-Y61 VanDerWaalsContact CD1-CD2 3.45Å; F29-Y61 AromaticContact CD1-CE2 3.65Å; F29-Y61 HydrophobicContact CD1-CE2 3.65Å; F29-Y61 HydrophobicContact CE1-CD2 4.27Å; F29-Y61 HydrophobicContact CE1-CE2 4Å; F29-Y61 HydrophobicContact CG-CD2 4.27Å; F29-Y61 WeakPolarHBondContact O-CA 3.24Å; F29-L62 PolarHBondContact O-N 3.19Å; F29-L93 WeakPolarHBondContact CA-O 3.41Å; F29-L93 HydrophobicContact CD2-CB 4.04Å; F29-L93 HydrophobicContact CD2-CD2 3.83Å; F29-L93 HydrophobicContact CD2-CG 3.91Å; F29-L93 WeakPolarHBondContact CD2-O 3.21Å; F29-L93 HydrophobicContact CE2-CD2 3.96Å; F29-L93 HydrophobicContact CE2-CG 4.09Å; F29-R95 HydrophobicContact CE2-CB 4.29Å; F29-R95 HydrophobicContact CE2-CG 3.49Å; F29-R95 VanDerWaalsContact CE2-CG 3.49Å; F29-R95 HydrophobicContact CZ-CB 4.28Å; F29-R95 HydrophobicContact CZ-CG 3.81Å
30	V	97.3	Very high	83.8	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	122.9	-179.3	-174.3	0	0	0	0	109.3	W28 L62 M64 I67 V92 L93 V94 R95	W28-V30 HydrophobicContact CB-CG2 4.18Å; W28-V30 HydrophobicContact CE3-CG2 4.46Å; V30-L62 WeakPolarHBondContact CA-O 3.41Å; V30-L62 HydrophobicContact CG2-CB 4.42Å; V30-M64 HydrophobicContact CB-CE 4.33Å; V30-M64 HydrophobicContact CG1-CE 3.45Å; V30-M64 VanDerWaalsContact CG1-CE 3.45Å; V30-M64 HydrophobicContact CG1-CG 4.2Å; V30-M64 HydrophobicContact CG1-SD 3.41Å; V30-M64 WeakPolarHBondContact CG1-SD 3.27Å; V30-I67 HydrophobicContact CG1-CD1 3.88Å; V30-I67 HydrophobicContact CG2-CD1 4.27Å; V30-V92 HydrophobicContact CB-CG1 4.05Å; V30-V92 HydrophobicContact CG2-CG1 3.51Å; V30-L93 PolarHBondContact N-O 3.37Å; V30-V94 WeakPolarHBondContact O-CA 3.33Å; V30-R95 PolarHBondContact O-N 2.84Å
31	T	95.5	Very high	86.5	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	165.5	-179.7	-163.7	0	0	0	0	112.6	F29 Y61 L62 L63 M64 R95	F29-T31 HydrophobicContact CE1-CG2 4.37Å; T31-Y61 HydrophobicContact CG2-CE2 3.62Å; T31-L62 PolarHBondContact N-O 3.46Å; T31-L62 VanDerWaalsContact N-O 3.15Å; T31-L63 HydrophobicContact CG2-CD2 3.79Å; T31-L63 WeakPolarHBondContact O-CA 3.3Å; T31-M64 PolarHBondContact O-N 2.65Å; T31-R95 WeakPolarHBondContact CA-O 3.39Å; T31-R95 PolarHBondContact OG1-O 3.04Å
32	D	92.2	Very high	89.2	Confident	13 Å²	13	48.2 Å²	48.2	7%	0.07	24%	0.236	C	C	.	.			trans	-82.4	138.6	171.6	-172	-69	0	0	0	111.2	R34 I35 S36 R95 P97	D32-R34 VanDerWaalsContact CG-NE 3.26Å; D32-R34 PolarHBondContact O-N 3.34Å; D32-R34 VanDerWaalsContact O-N 3.16Å; D32-R34 WeakPolarHBondContact OD1-CB 3.14Å; D32-R34 WeakPolarHBondContact OD1-CG 3.43Å; D32-R34 IonicContact OD1-CZ 2.57Å; D32-R34 PolarHBondContact OD1-N 3.26Å; D32-R34 IonicContact OD1-NE 3.92Å; D32-R34 PolarHBondContact OD1-NE 3.06Å; D32-R34 IonicContact OD1-NH2 3.69Å; D32-R34 IonicContact OD2-CZ 2.85Å; D32-R34 VanDerWaalsContact OD2-CZ 3.26Å; D32-R34 IonicContact OD2-NE 3.76Å; D32-R34 PolarHBondContact OD2-NE 3.47Å; D32-R34 VanDerWaalsContact OD2-NE 3.09Å; D32-R34 IonicContact OD2-NH2 3.05Å; D32-R34 PolarHBondContact OD2-NH2 3.36Å; D32-I35 HydrophobicContact CB-CG1 4.24Å; D32-I35 PolarHBondContact O-N 3.21Å; D32-I35 VanDerWaalsContact O-N 3.12Å; D32-S36 PolarHBondContact O-N 3.05Å; D32-S36 VanDerWaalsContact O-N 3.08Å; D32-R95 PolarHBondContact N-O 3.25Å; D32-P97 HydrophobicContact CB-CG 4.37Å
33	R	92.2	Very high	91.4	Very high	132 Å²	132	45.2 Å²	45.2	50%	0.498	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-52.3	-39.1	179.2	-173.3	178.4	-62.2	-88.2	-5.1	112.5	I35 S36 L63 D65	R33-I35 VanDerWaalsContact C-N 3.25Å; R33-I35 PolarHBondContact O-N 3.4Å; R33-S36 PolarHBondContact O-N 2.8Å; R33-S36 PolarHBondContact O-OG 2.8Å; R33-L63 HydrophobicContact CB-CD1 4.21Å; R33-L63 HydrophobicContact CB-CD2 4.44Å; R33-L63 HydrophobicContact CG-CD1 4.17Å; R33-L63 VanDerWaalsContact CZ-CD1 3.41Å; R33-D65 IonicContact CZ-OD1 3.85Å; R33-D65 IonicContact CZ-OD2 3.53Å; R33-D65 VanDerWaalsContact CZ-OD2 3.24Å; R33-D65 IonicContact NE-OD1 2.63Å; R33-D65 IonicContact NE-OD2 2.67Å; R33-D65 PolarHBondContact NE-OD2 3.19Å; R33-D65 IonicContact NH2-OD1 3.9Å; R33-D65 PolarHBondContact NH2-OD1 3.16Å; R33-D65 IonicContact NH2-OD2 2.84Å; R33-D65 PolarHBondContact NH2-OD2 3.27Å
34	R	90.3	Very high	93.1	Very high	104 Å²	104	38 Å²	38	39%	0.392	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-58.3	-33.4	-177.9	-63.4	171.2	-74.3	176.3	-1.4	113.1	D32 W100 D106	D32-R34 VanDerWaalsContact CG-NE 3.26Å; D32-R34 PolarHBondContact O-N 3.34Å; D32-R34 VanDerWaalsContact O-N 3.16Å; D32-R34 WeakPolarHBondContact OD1-CB 3.14Å; D32-R34 WeakPolarHBondContact OD1-CG 3.43Å; D32-R34 IonicContact OD1-CZ 2.57Å; D32-R34 PolarHBondContact OD1-N 3.26Å; D32-R34 IonicContact OD1-NE 3.92Å; D32-R34 PolarHBondContact OD1-NE 3.06Å; D32-R34 IonicContact OD1-NH2 3.69Å; D32-R34 IonicContact OD2-CZ 2.85Å; D32-R34 VanDerWaalsContact OD2-CZ 3.26Å; D32-R34 IonicContact OD2-NE 3.76Å; D32-R34 PolarHBondContact OD2-NE 3.47Å; D32-R34 VanDerWaalsContact OD2-NE 3.09Å; D32-R34 IonicContact OD2-NH2 3.05Å; D32-R34 PolarHBondContact OD2-NH2 3.36Å; R34-W100 VanDerWaalsContact NH1-CB 3.34Å; R34-W100 PolarHBondContact NH1-O 2.68Å; R34-W100 VanDerWaalsContact NH1-O 3.1Å; R34-W100 PolarHBondContact NH2-O 2.7Å; R34-W100 VanDerWaalsContact NH2-O 3.15Å; R34-D106 IonicContact NH2-OD2 3.21Å
35	I	90.7	Very high	93.9	Very high	8 Å²	8	37.5 Å²	37.5	4%	0.041	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-113	0.1	-176.6	64.7	171.4	0	0	0	113.1	D32 R33 Q37 E38 Q41 P97	D32-I35 HydrophobicContact CB-CG1 4.24Å; D32-I35 PolarHBondContact O-N 3.21Å; D32-I35 VanDerWaalsContact O-N 3.12Å; R33-I35 VanDerWaalsContact C-N 3.25Å; R33-I35 PolarHBondContact O-N 3.4Å; I35-Q37 PolarHBondContact O-N 3.47Å; I35-Q37 VanDerWaalsContact O-N 3.14Å; I35-E38 WeakPolarHBondContact O-CB 3.2Å; I35-E38 PolarHBondContact O-N 3.23Å; I35-Q41 HydrophobicContact CD1-CG 4.33Å; I35-Q41 HydrophobicContact CG1-CG 4.31Å; I35-Q41 VanDerWaalsContact O-CG 3.25Å; I35-Q41 WeakPolarHBondContact O-CG 3.27Å; I35-P97 HydrophobicContact CG2-CB 4.05Å; I35-P97 HydrophobicContact CG2-CG 4.43Å
36	S	91.7	Very high	94.1	Very high	12 Å²	12	45 Å²	45	8%	0.084	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-31.9	-173.1	60.5	0	0	0	0	114.6	D32 R33 Y61	D32-S36 PolarHBondContact O-N 3.05Å; D32-S36 VanDerWaalsContact O-N 3.08Å; R33-S36 PolarHBondContact O-N 2.8Å; R33-S36 PolarHBondContact O-OG 2.8Å; S36-Y61 VanDerWaalsContact CB-OH 3.24Å; S36-Y61 WeakPolarHBondContact CB-OH 3.2Å
37	Q	92.3	Very high	94.3	Very high	155 Å²	155	43.8 Å²	43.8	72%	0.724	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99	-0.2	-179.8	-56.2	-54.8	-51.6	0	0	113	I35	I35-Q37 PolarHBondContact O-N 3.47Å; I35-Q37 VanDerWaalsContact O-N 3.14Å
38	E	89.3	Confident	94.3	Very high	78 Å²	78	43.8 Å²	43.8	36%	0.364	19%	0.193	S	C	.	.	S	Bend	trans	-84	145.5	177.6	-66.5	-171.5	-150.5	0	0	110.6	I35 Q41 R183	I35-E38 WeakPolarHBondContact O-CB 3.2Å; I35-E38 PolarHBondContact O-N 3.23Å; E38-Q41 WeakPolarHBondContact O-CB 3.29Å; E38-Q41 PolarHBondContact O-N 3.21Å; E38-R183 IonicContact OE2-NH2 3.87Å; E38-R183 PolarHBondContact OE2-NH2 3.02Å
39	Y	82.7	Confident	94.3	Very high	58 Å²	58	50.2 Å²	50.2	23%	0.227	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	135.9	160.3	-172.9	-59.6	0	0	0	108.3	Q43 F303 I304 D307	Y39-Q43 HydrophobicContact CD2-CG 3.76Å; Y39-Q43 HydrophobicContact CE2-CB 4.37Å; Y39-Q43 HydrophobicContact CE2-CG 3.45Å; Y39-Q43 VanDerWaalsContact CE2-CG 3.45Å; Y39-Q43 VanDerWaalsContact CG-OE1 3.25Å; Y39-F303 AromaticContact CE1-CD2 3.67Å; Y39-F303 HydrophobicContact CE1-CD2 3.67Å; Y39-F303 AromaticContact CE1-CE2 3.96Å; Y39-F303 HydrophobicContact CE1-CE2 3.96Å; Y39-F303 HydrophobicContact CE1-CG 4.43Å; Y39-F303 WeakPolarHBondContact OH-CD2 3.36Å; Y39-I304 HydrophobicContact CD1-CB 3.96Å; Y39-I304 HydrophobicContact CD1-CD1 3.91Å; Y39-I304 HydrophobicContact CD1-CG1 2.92Å; Y39-I304 HydrophobicContact CD2-CG1 4Å; Y39-I304 VanDerWaalsContact CE1-CA 3.42Å; Y39-I304 HydrophobicContact CE1-CB 3.99Å; Y39-I304 HydrophobicContact CE1-CG1 3.44Å; Y39-I304 VanDerWaalsContact CE1-CG1 3.44Å; Y39-I304 VanDerWaalsContact CE1-N 3.3Å; Y39-I304 HydrophobicContact CE2-CG1 4.43Å; Y39-I304 HydrophobicContact CG-CB 4.44Å; Y39-I304 HydrophobicContact CG-CD1 3.97Å; Y39-I304 HydrophobicContact CG-CG1 3.3Å; Y39-D307 VanDerWaalsContact OH-CG 3.27Å; Y39-D307 PolarHBondContact OH-OD2 2.95Å
40	P	92.3	Very high	94.2	Very high	6 Å²	6	54.2 Å²	54.2	4%	0.039	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	cis	-94	4.2	12.3	32.8	-34.7	0	0	0	116.3	V42 Q43 I44 F303	P40-V42 VanDerWaalsContact C-N 3.27Å; P40-V42 PolarHBondContact O-N 3.45Å; P40-Q43 PolarHBondContact O-N 2.84Å; P40-Q43 VanDerWaalsContact O-N 3.12Å; P40-I44 HydrophobicContact CB-CD1 4.09Å; P40-I44 HydrophobicContact CB-CG1 4.41Å; P40-I44 HydrophobicContact CG-CD1 4.13Å; P40-I44 WeakPolarHBondContact O-CG1 3.46Å; P40-I44 PolarHBondContact O-N 2.96Å; P40-F303 HydrophobicContact CB-CD1 4.03Å; P40-F303 HydrophobicContact CB-CD2 3.9Å; P40-F303 HydrophobicContact CB-CE1 3.51Å; P40-F303 HydrophobicContact CB-CE2 3.35Å; P40-F303 HydrophobicContact CB-CG 4.22Å; P40-F303 HydrophobicContact CB-CZ 3.17Å; P40-F303 HydrophobicContact CG-CD1 3.92Å; P40-F303 HydrophobicContact CG-CE1 3.53Å; P40-F303 HydrophobicContact CG-CE2 4.28Å; P40-F303 HydrophobicContact CG-CG 4.47Å; P40-F303 HydrophobicContact CG-CZ 3.77Å
41	Q	94.6	Very high	94.2	Very high	5 Å²	5	56.7 Å²	56.7	2%	0.023	25%	0.249	C	C	.	.	H	α-helix	trans	-63.2	-37.1	-168.3	-45	-50.9	-9.8	0	0	112	F29 I35 E38 L45 N300	F29-Q41 HydrophobicContact CZ-CB 4.29Å; I35-Q41 HydrophobicContact CD1-CG 4.33Å; I35-Q41 HydrophobicContact CG1-CG 4.31Å; I35-Q41 VanDerWaalsContact O-CG 3.25Å; I35-Q41 WeakPolarHBondContact O-CG 3.27Å; E38-Q41 WeakPolarHBondContact O-CB 3.29Å; E38-Q41 PolarHBondContact O-N 3.21Å; Q41-L45 VanDerWaalsContact O-CB 3.25Å; Q41-L45 WeakPolarHBondContact O-CB 3.33Å; Q41-L45 PolarHBondContact O-N 3.13Å; Q41-N300 PolarHBondContact NE2-OD1 2.97Å
42	V	95.8	Very high	94.3	Very high	58 Å²	58	56.7 Å²	56.7	35%	0.352	25%	0.249	S	C	.	.	H	α-helix	trans	-65.3	-39.8	177.2	179.6	0	0	0	0	112	P40 L45 R46	P40-V42 VanDerWaalsContact C-N 3.27Å; P40-V42 PolarHBondContact O-N 3.45Å; V42-L45 PolarHBondContact O-N 3.32Å; V42-R46 WeakPolarHBondContact O-CB 3.48Å; V42-R46 PolarHBondContact O-N 2.9Å
43	Q	96.3	Very high	94.5	Very high	64 Å²	64	59.7 Å²	59.7	30%	0.299	28%	0.276	S	S	.	.	H	α-helix	trans	-72.5	-42.5	-179	-71.5	69.3	20.3	0	0	110.8	Y39 P40 R46 A47 A315	Y39-Q43 HydrophobicContact CD2-CG 3.76Å; Y39-Q43 HydrophobicContact CE2-CB 4.37Å; Y39-Q43 HydrophobicContact CE2-CG 3.45Å; Y39-Q43 VanDerWaalsContact CE2-CG 3.45Å; Y39-Q43 VanDerWaalsContact CG-OE1 3.25Å; P40-Q43 PolarHBondContact O-N 2.84Å; P40-Q43 VanDerWaalsContact O-N 3.12Å; Q43-R46 PolarHBondContact O-N 2.76Å; Q43-A47 WeakPolarHBondContact O-CB 3.46Å; Q43-A47 PolarHBondContact O-N 3.33Å; Q43-A315 HydrophobicContact CB-CB 3.82Å
44	I	97.7	Very high	94.6	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.5	-48.8	172.7	-66.7	168.5	0	0	0	110	F29 P40 R46 A47 L48 L93 F303 A315 I318	F29-I44 HydrophobicContact CD2-CG2 4.25Å; F29-I44 HydrophobicContact CE2-CB 4.44Å; F29-I44 HydrophobicContact CE2-CG2 3.63Å; F29-I44 HydrophobicContact CZ-CB 4.4Å; F29-I44 HydrophobicContact CZ-CG2 4.06Å; P40-I44 HydrophobicContact CB-CD1 4.09Å; P40-I44 HydrophobicContact CB-CG1 4.41Å; P40-I44 HydrophobicContact CG-CD1 4.13Å; P40-I44 WeakPolarHBondContact O-CG1 3.46Å; P40-I44 PolarHBondContact O-N 2.96Å; I44-R46 VanDerWaalsContact C-N 3.33Å; I44-R46 PolarHBondContact O-N 3.48Å; I44-A47 PolarHBondContact O-N 3.42Å; I44-L48 VanDerWaalsContact O-CB 3.22Å; I44-L48 WeakPolarHBondContact O-CB 3.36Å; I44-L48 PolarHBondContact O-N 3.11Å; I44-L93 HydrophobicContact CG2-CD2 3.27Å; I44-L93 HydrophobicContact CG2-CG 4.45Å; I44-F303 HydrophobicContact CD1-CE1 4Å; I44-F303 HydrophobicContact CD1-CZ 3.76Å; I44-F303 HydrophobicContact CG1-CE1 4.48Å; I44-F303 HydrophobicContact CG1-CZ 3.75Å; I44-A315 HydrophobicContact CG1-CB 4.28Å; I44-I318 HydrophobicContact CD1-CD1 4.08Å; I44-I318 HydrophobicContact CG1-CD1 4.22Å; I44-I318 HydrophobicContact CG2-CG2 4.34Å
45	L	98.1	Very high	94.7	Very high	39 Å²	39	57.2 Å²	57.2	20%	0.204	28%	0.278	C	S	.	.	H	α-helix	trans	-57.4	-45.7	177.6	171.3	57.3	0	0	0	111.5	F29 Q41 V42 K49 F59 Y61	F29-L45 HydrophobicContact CD1-CB 3.94Å; F29-L45 HydrophobicContact CD1-CD1 3.97Å; F29-L45 HydrophobicContact CD1-CG 4.41Å; F29-L45 HydrophobicContact CE1-CB 3.9Å; Q41-L45 VanDerWaalsContact O-CB 3.25Å; Q41-L45 WeakPolarHBondContact O-CB 3.33Å; Q41-L45 PolarHBondContact O-N 3.13Å; V42-L45 PolarHBondContact O-N 3.32Å; L45-K49 VanDerWaalsContact O-CB 3.26Å; L45-K49 WeakPolarHBondContact O-CB 3.32Å; L45-K49 PolarHBondContact O-N 3.04Å; L45-F59 HydrophobicContact CD1-CE1 3.72Å; L45-F59 HydrophobicContact CD1-CZ 3.51Å; L45-Y61 HydrophobicContact CD1-CD2 4.11Å; L45-Y61 HydrophobicContact CD1-CG 4.02Å; L45-Y61 HydrophobicContact CD2-CD1 4.31Å; L45-Y61 HydrophobicContact CD2-CD2 4.29Å; L45-Y61 HydrophobicContact CD2-CE1 4.43Å; L45-Y61 HydrophobicContact CD2-CE2 4.35Å; L45-Y61 HydrophobicContact CD2-CG 4.22Å
46	R	97.9	Very high	94.8	Very high	180 Å²	180	63.7 Å²	63.7	68%	0.679	31%	0.313	S	S	*	.	H	α-helix	trans	-59.3	-55	176.6	177.5	-173	164.7	-178.1	-3.8	111.2	V42 Q43 I44 L48 K49 E50	V42-R46 WeakPolarHBondContact O-CB 3.48Å; V42-R46 PolarHBondContact O-N 2.9Å; Q43-R46 PolarHBondContact O-N 2.76Å; I44-R46 VanDerWaalsContact C-N 3.33Å; I44-R46 PolarHBondContact O-N 3.48Å; R46-L48 VanDerWaalsContact C-N 3.32Å; R46-L48 PolarHBondContact O-N 3.38Å; R46-K49 PolarHBondContact O-N 3.43Å; R46-E50 WeakPolarHBondContact O-CB 3.46Å; R46-E50 PolarHBondContact O-N 2.92Å
47	A	98.1	Very high	95	Very high	7 Å²	7	63.8 Å²	63.8	6%	0.058	31%	0.313	C	S	.	.	H	α-helix	trans	-60.1	-43.6	-177.3	0	0	0	0	0	111.4	Q43 I44 E50 R51 A315 A319	Q43-A47 WeakPolarHBondContact O-CB 3.46Å; Q43-A47 PolarHBondContact O-N 3.33Å; I44-A47 PolarHBondContact O-N 3.42Å; A47-E50 PolarHBondContact O-N 3.09Å; A47-R51 WeakPolarHBondContact O-CG 3.39Å; A47-R51 PolarHBondContact O-N 3.2Å; A47-A315 HydrophobicContact CB-CB 4.16Å; A47-A319 HydrophobicContact CB-CB 3.94Å
48	L	98.1	Very high	95.2	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-66	-41.1	179.5	-166.1	67.8	0	0	0	112.1	V27 F29 I44 R46 E50 C52 F59 L93 A319 A322 L323	V27-L48 HydrophobicContact CG1-CD1 4.14Å; V27-L48 HydrophobicContact CG1-CD2 3.96Å; V27-L48 HydrophobicContact CG1-CG 4.24Å; F29-L48 HydrophobicContact CB-CD2 3.95Å; F29-L48 HydrophobicContact CD2-CD2 4.36Å; F29-L48 HydrophobicContact CG-CD2 4.46Å; I44-L48 VanDerWaalsContact O-CB 3.22Å; I44-L48 WeakPolarHBondContact O-CB 3.36Å; I44-L48 PolarHBondContact O-N 3.11Å; R46-L48 VanDerWaalsContact C-N 3.32Å; R46-L48 PolarHBondContact O-N 3.38Å; L48-E50 VanDerWaalsContact C-N 3.34Å; L48-C52 WeakPolarHBondContact O-CB 3.24Å; L48-C52 PolarHBondContact O-N 3.09Å; L48-C52 PolarHBondContact O-SG 3.01Å; L48-F59 HydrophobicContact CB-CE2 4.41Å; L48-F59 HydrophobicContact CD2-CD2 4.35Å; L48-F59 HydrophobicContact CD2-CE2 3.58Å; L48-F59 HydrophobicContact CD2-CZ 4.38Å; L48-F59 HydrophobicContact CG-CD2 4.32Å; L48-F59 HydrophobicContact CG-CE2 3.87Å; L48-L93 HydrophobicContact CD2-CB 4.19Å; L48-L93 HydrophobicContact CD2-CD2 3.89Å; L48-A319 HydrophobicContact CB-CB 4.3Å; L48-A319 HydrophobicContact CD1-CB 4.03Å; L48-A322 HydrophobicContact CD1-CB 3.95Å; L48-L323 HydrophobicContact CD1-CD1 3.66Å
49	K	98.3	Very high	95.6	Very high	135 Å²	135	57.8 Å²	57.8	59%	0.587	28%	0.284	S	S	*	.	H	α-helix	trans	-62.6	-41.8	175.4	-175.3	177.5	179.6	-179.6	0	111.7	L45 R46 A53 F59	L45-K49 VanDerWaalsContact O-CB 3.26Å; L45-K49 WeakPolarHBondContact O-CB 3.32Å; L45-K49 PolarHBondContact O-N 3.04Å; R46-K49 PolarHBondContact O-N 3.43Å; K49-A53 WeakPolarHBondContact O-CB 3.27Å; K49-A53 PolarHBondContact O-N 3.22Å; K49-A53 VanDerWaalsContact O-N 3.1Å; K49-F59 HydrophobicContact CB-CD1 4.15Å; K49-F59 HydrophobicContact CB-CE1 4.01Å; K49-F59 HydrophobicContact CG-CD1 4.12Å; K49-F59 HydrophobicContact CG-CE1 4.3Å
50	E	98.1	Very high	96.3	Very high	84 Å²	84	59.2 Å²	59.2	39%	0.393	29%	0.289	S	S	.	.	H	α-helix	trans	-61.9	-54.3	176.5	-170.4	-179.1	133.3	0	0	110.9	R46 A47 L48 C52 A53 D54	R46-E50 WeakPolarHBondContact O-CB 3.46Å; R46-E50 PolarHBondContact O-N 2.92Å; A47-E50 PolarHBondContact O-N 3.09Å; L48-E50 VanDerWaalsContact C-N 3.34Å; E50-C52 VanDerWaalsContact C-N 3.33Å; E50-C52 PolarHBondContact O-N 3.47Å; E50-A53 WeakPolarHBondContact O-CB 3.48Å; E50-A53 PolarHBondContact O-N 3.37Å; E50-A53 VanDerWaalsContact O-N 3.08Å; E50-D54 PolarHBondContact O-N 2.98Å
51	R	97.1	Very high	96.5	Very high	52 Å²	52	62.3 Å²	62.3	20%	0.196	30%	0.301	C	S	.	.	H	α-helix	trans	-61.7	-38.2	179.6	-63.5	-63.1	176.5	-90.8	-10.4	113.3	A47 A53 D54 E55 A319 D320 L323	A47-R51 WeakPolarHBondContact O-CG 3.39Å; A47-R51 PolarHBondContact O-N 3.2Å; R51-A53 VanDerWaalsContact C-N 3.33Å; R51-D54 IonicContact NH1-OD2 3.3Å; R51-D54 PolarHBondContact O-N 3.4Å; R51-E55 WeakPolarHBondContact O-CB 3.28Å; R51-E55 WeakPolarHBondContact O-CG 3.42Å; R51-E55 PolarHBondContact O-N 3.14Å; R51-E55 VanDerWaalsContact O-N 3.14Å; R51-A319 HydrophobicContact CB-CB 4.44Å; R51-A319 HydrophobicContact CG-CB 3.89Å; R51-D320 VanDerWaalsContact CD-OD1 3.23Å; R51-D320 WeakPolarHBondContact CD-OD1 3.31Å; R51-D320 IonicContact NE-OD1 2.9Å; R51-D320 PolarHBondContact NE-OD1 3.17Å; R51-L323 HydrophobicContact CB-CD1 3.99Å; R51-L323 HydrophobicContact CB-CD2 3.89Å; R51-L323 WeakPolarHBondContact O-CD2 3.38Å
52	C	96.9	Very high	96.7	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-65.6	-38	175.8	-68.6	0	0	0	0	111.9	L48 E50 E55 D56 V57 F59	L48-C52 WeakPolarHBondContact O-CB 3.24Å; L48-C52 PolarHBondContact O-N 3.09Å; L48-C52 PolarHBondContact O-SG 3.01Å; E50-C52 VanDerWaalsContact C-N 3.33Å; E50-C52 PolarHBondContact O-N 3.47Å; C52-E55 PolarHBondContact O-N 3.18Å; C52-D56 PolarHBondContact O-N 3.45Å; C52-D56 VanDerWaalsContact O-N 3.15Å; C52-V57 HydrophobicContact CB-CB 4.01Å; C52-V57 HydrophobicContact CB-CG1 4.34Å; C52-V57 PolarHBondContact O-N 3.42Å; C52-F59 HydrophobicContact CB-CB 3.77Å; C52-F59 HydrophobicContact CB-CG 4.33Å
53	A	96.2	Very high	96.6	Very high	76 Å²	76	60.4 Å²	60.4	63%	0.628	29%	0.288	S	S	*	.	H	α-helix	trans	-67.3	-41.9	176	0	0	0	0	0	111.9	K49 E50 R51 E55 D56	K49-A53 WeakPolarHBondContact O-CB 3.27Å; K49-A53 PolarHBondContact O-N 3.22Å; K49-A53 VanDerWaalsContact O-N 3.1Å; E50-A53 WeakPolarHBondContact O-CB 3.48Å; E50-A53 PolarHBondContact O-N 3.37Å; E50-A53 VanDerWaalsContact O-N 3.08Å; R51-A53 VanDerWaalsContact C-N 3.33Å; A53-E55 PolarHBondContact O-N 3.01Å; A53-D56 PolarHBondContact O-N 2.85Å
54	D	95.3	Very high	96.5	Very high	115 Å²	115	57.9 Å²	57.9	62%	0.615	28%	0.277	S	S	*	.	H	α-helix	trans	-62.8	-29.7	177.9	-66.2	-24.1	0	0	0	112.7	E50 R51	E50-D54 PolarHBondContact O-N 2.98Å; R51-D54 IonicContact NH1-OD2 3.3Å; R51-D54 PolarHBondContact O-N 3.4Å
55	E	92.3	Very high	96.2	Very high	69 Å²	69	62.4 Å²	62.4	32%	0.322	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	7.6	-175.7	-64.9	-163.3	-150.5	0	0	114.9	R51 C52 A53 V57 L323 R329	R51-E55 WeakPolarHBondContact O-CB 3.28Å; R51-E55 WeakPolarHBondContact O-CG 3.42Å; R51-E55 PolarHBondContact O-N 3.14Å; R51-E55 VanDerWaalsContact O-N 3.14Å; C52-E55 PolarHBondContact O-N 3.18Å; A53-E55 PolarHBondContact O-N 3.01Å; E55-V57 VanDerWaalsContact C-N 3.29Å; E55-V57 HydrophobicContact CB-CG2 3.9Å; E55-V57 PolarHBondContact O-N 3.02Å; E55-L323 HydrophobicContact CB-CD2 4.01Å; E55-L323 HydrophobicContact CG-CD2 3.91Å; E55-L323 WeakPolarHBondContact OE1-CD2 3.19Å; E55-R329 IonicContact OE1-CZ 3Å; E55-R329 IonicContact OE1-NH1 3.14Å; E55-R329 IonicContact OE1-NH2 2.62Å; E55-R329 PolarHBondContact OE1-NH2 3.07Å; E55-R329 IonicContact OE2-CZ 3.37Å; E55-R329 IonicContact OE2-NE 3.89Å; E55-R329 PolarHBondContact OE2-NE 3.19Å; E55-R329 VanDerWaalsContact OE2-NE 3.15Å; E55-R329 IonicContact OE2-NH2 3.15Å; E55-R329 PolarHBondContact OE2-NH2 3.42Å
56	D	92.8	Very high	96.1	Very high	144 Å²	144	62.9 Å²	62.9	77%	0.77	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	43.8	-176.9	-164.6	36.2	0	0	0	113	C52 A53	C52-D56 PolarHBondContact O-N 3.45Å; C52-D56 VanDerWaalsContact O-N 3.15Å; A53-D56 PolarHBondContact O-N 2.85Å
57	V	95.4	Very high	95.9	Very high	15 Å²	15	54.8 Å²	54.8	9%	0.091	27%	0.272	C	S	.	.			trans	-100.6	126.4	177.2	176.2	0	0	0	0	108.8	S25 V27 C52 E55 F59 L323 L326	S25-V57 CarbonylContact O-C 3.55Å; S25-V57 WeakPolarHBondContact O-CA 3.21Å; S25-V57 WeakPolarHBondContact O-CG1 3.24Å; V27-V57 HydrophobicContact CB-CG1 4.11Å; V27-V57 HydrophobicContact CG2-CG1 3.63Å; C52-V57 HydrophobicContact CB-CB 4.01Å; C52-V57 HydrophobicContact CB-CG1 4.34Å; C52-V57 PolarHBondContact O-N 3.42Å; E55-V57 VanDerWaalsContact C-N 3.29Å; E55-V57 HydrophobicContact CB-CG2 3.9Å; E55-V57 PolarHBondContact O-N 3.02Å; V57-F59 PolarHBondContact O-N 3.39Å; V57-L323 HydrophobicContact CG2-CD2 4.39Å; V57-L326 HydrophobicContact CG1-CD1 4.23Å; V57-L326 HydrophobicContact CG2-CD1 3.97Å
58	E	96.2	Very high	95.8	Very high	61 Å²	61	58.2 Å²	58.2	29%	0.285	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	120.1	174.6	174.1	-170.4	172.9	0	0	109.4	S25 R26 V27 R60	S25-E58 PolarHBondContact O-N 3.09Å; R26-E58 VanDerWaalsContact CA-O 3.27Å; R26-E58 WeakPolarHBondContact CA-O 3.36Å; R26-E58 WeakPolarHBondContact CD-OE2 3.38Å; R26-E58 HydrophobicContact CG-CB 3.72Å; R26-E58 HydrophobicContact CG-CG 4Å; R26-E58 VanDerWaalsContact CG-OE2 3.29Å; R26-E58 WeakPolarHBondContact CG-OE2 3.47Å; R26-E58 IonicContact NE-OE2 2.93Å; R26-E58 PolarHBondContact NE-OE2 3.36Å; V27-E58 PolarHBondContact N-O 2.97Å; E58-R60 IonicContact OE1-CZ 3.8Å; E58-R60 IonicContact OE1-NE 3.04Å; E58-R60 PolarHBondContact OE1-NE 3.34Å; E58-R60 IonicContact OE1-NH2 3.6Å; E58-R60 PolarHBondContact OE1-NH2 3Å
59	F	97.4	Very high	95.7	Very high	46 Å²	46	60.6 Å²	60.6	20%	0.202	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	135.8	-176.6	177.4	-107.7	0	0	0	111.6	V27 F29 L45 L48 K49 C52 V57	V27-F59 WeakPolarHBondContact O-CA 3.22Å; V27-F59 WeakPolarHBondContact O-CD2 3.47Å; F29-F59 HydrophobicContact CB-CE2 3.85Å; F29-F59 HydrophobicContact CB-CZ 3.82Å; L45-F59 HydrophobicContact CD1-CE1 3.72Å; L45-F59 HydrophobicContact CD1-CZ 3.51Å; L48-F59 HydrophobicContact CB-CE2 4.41Å; L48-F59 HydrophobicContact CD2-CD2 4.35Å; L48-F59 HydrophobicContact CD2-CE2 3.58Å; L48-F59 HydrophobicContact CD2-CZ 4.38Å; L48-F59 HydrophobicContact CG-CD2 4.32Å; L48-F59 HydrophobicContact CG-CE2 3.87Å; K49-F59 HydrophobicContact CB-CD1 4.15Å; K49-F59 HydrophobicContact CB-CE1 4.01Å; K49-F59 HydrophobicContact CG-CD1 4.12Å; K49-F59 HydrophobicContact CG-CE1 4.3Å; C52-F59 HydrophobicContact CB-CB 3.77Å; C52-F59 HydrophobicContact CB-CG 4.33Å; V57-F59 PolarHBondContact O-N 3.39Å
60	R	97.2	Very high	95.5	Very high	88 Å²	88	56 Å²	56	33%	0.332	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.8	166.7	-59.2	-170.4	-171.2	-163.4	-2	111.6	V27 W28 F29 E58	V27-R60 PolarHBondContact O-N 2.68Å; V27-R60 VanDerWaalsContact O-N 3.13Å; W28-R60 CarbonylContact C-O 3.57Å; W28-R60 VanDerWaalsContact CA-O 3.3Å; W28-R60 WeakPolarHBondContact CA-O 3.35Å; W28-R60 HydrophobicContact CG-CB 4.23Å; F29-R60 PolarHBondContact N-O 2.76Å; E58-R60 IonicContact OE1-CZ 3.8Å; E58-R60 IonicContact OE1-NE 3.04Å; E58-R60 PolarHBondContact OE1-NE 3.34Å; E58-R60 IonicContact OE1-NH2 3.6Å; E58-R60 PolarHBondContact OE1-NH2 3Å
61	Y	97.8	Very high	95.4	Very high	71 Å²	71	58.1 Å²	58.1	28%	0.278	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	125.9	168.1	168.3	-120.9	0	0	0	108.9	F29 T31 S36 L45 L63	F29-Y61 HydrophobicContact CB-CD2 4.25Å; F29-Y61 AromaticContact CD1-CD2 3.45Å; F29-Y61 HydrophobicContact CD1-CD2 3.45Å; F29-Y61 VanDerWaalsContact CD1-CD2 3.45Å; F29-Y61 AromaticContact CD1-CE2 3.65Å; F29-Y61 HydrophobicContact CD1-CE2 3.65Å; F29-Y61 HydrophobicContact CE1-CD2 4.27Å; F29-Y61 HydrophobicContact CE1-CE2 4Å; F29-Y61 HydrophobicContact CG-CD2 4.27Å; F29-Y61 WeakPolarHBondContact O-CA 3.24Å; T31-Y61 HydrophobicContact CG2-CE2 3.62Å; S36-Y61 VanDerWaalsContact CB-OH 3.24Å; S36-Y61 WeakPolarHBondContact CB-OH 3.2Å; L45-Y61 HydrophobicContact CD1-CD2 4.11Å; L45-Y61 HydrophobicContact CD1-CG 4.02Å; L45-Y61 HydrophobicContact CD2-CD1 4.31Å; L45-Y61 HydrophobicContact CD2-CD2 4.29Å; L45-Y61 HydrophobicContact CD2-CE1 4.43Å; L45-Y61 HydrophobicContact CD2-CE2 4.35Å; L45-Y61 HydrophobicContact CD2-CG 4.22Å; Y61-L63 VanDerWaalsContact OH-CD2 3.27Å; Y61-L63 WeakPolarHBondContact OH-CD2 3.46Å
62	L	97.1	Very high	95.3	Very high	10 Å²	10	59.4 Å²	59.4	5%	0.052	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	145.2	-178.2	-61.1	174.1	0	0	0	110.8	W28 F29 V30 T31 I67 V80	W28-L62 HydrophobicContact CD2-CD1 3.81Å; W28-L62 HydrophobicContact CE3-CD1 3.45Å; W28-L62 VanDerWaalsContact CE3-CD1 3.45Å; W28-L62 HydrophobicContact CH2-CD1 3.98Å; W28-L62 HydrophobicContact CZ2-CD1 4.32Å; W28-L62 HydrophobicContact CZ3-CD1 3.54Å; F29-L62 PolarHBondContact O-N 3.19Å; V30-L62 WeakPolarHBondContact CA-O 3.41Å; V30-L62 HydrophobicContact CG2-CB 4.42Å; T31-L62 PolarHBondContact N-O 3.46Å; T31-L62 VanDerWaalsContact N-O 3.15Å; L62-I67 HydrophobicContact CB-CD1 4.28Å; L62-I67 HydrophobicContact CB-CG1 4.41Å; L62-I67 HydrophobicContact CD1-CD1 4.24Å; L62-I67 HydrophobicContact CD1-CG1 4.25Å; L62-V80 HydrophobicContact CD1-CG2 4.02Å; L62-V80 HydrophobicContact CD2-CG1 3.58Å; L62-V80 HydrophobicContact CD2-CG2 4.3Å
63	L	95.4	Very high	95.2	Very high	12 Å²	12	68.3 Å²	68.3	6%	0.063	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	146.7	165.3	-62	175.9	0	0	0	109.8	T31 R33 Y61 D65 Q66	T31-L63 HydrophobicContact CG2-CD2 3.79Å; T31-L63 WeakPolarHBondContact O-CA 3.3Å; R33-L63 HydrophobicContact CB-CD1 4.21Å; R33-L63 HydrophobicContact CB-CD2 4.44Å; R33-L63 HydrophobicContact CG-CD1 4.17Å; R33-L63 VanDerWaalsContact CZ-CD1 3.41Å; Y61-L63 VanDerWaalsContact OH-CD2 3.27Å; Y61-L63 WeakPolarHBondContact OH-CD2 3.46Å; L63-D65 VanDerWaalsContact CB-OD1 3.27Å; L63-D65 WeakPolarHBondContact CB-OD1 3.42Å; L63-D65 PolarHBondContact O-N 3.08Å; L63-D65 VanDerWaalsContact O-N 3.15Å; L63-Q66 HydrophobicContact CB-CG 4.16Å; L63-Q66 WeakPolarHBondContact O-CB 3.25Å; L63-Q66 PolarHBondContact O-N 2.84Å
64	M	92.6	Very high	95.1	Very high	11 Å²	11	67.7 Å²	67.7	5%	0.054	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-51.2	-39.8	177.6	-72.2	-63.5	178.2	0	0	112.5	V30 T31 Q66 I67 V94 V96 V109 L110	V30-M64 HydrophobicContact CB-CE 4.33Å; V30-M64 HydrophobicContact CG1-CE 3.45Å; V30-M64 VanDerWaalsContact CG1-CE 3.45Å; V30-M64 HydrophobicContact CG1-CG 4.2Å; V30-M64 HydrophobicContact CG1-SD 3.41Å; V30-M64 WeakPolarHBondContact CG1-SD 3.27Å; T31-M64 PolarHBondContact O-N 2.65Å; M64-Q66 VanDerWaalsContact C-N 3.29Å; M64-Q66 PolarHBondContact O-N 3.15Å; M64-I67 PolarHBondContact O-N 2.62Å; M64-V94 HydrophobicContact CE-CG1 4.08Å; M64-V96 HydrophobicContact CE-CG1 3.47Å; M64-V96 VanDerWaalsContact CE-CG1 3.47Å; M64-V109 HydrophobicContact SD-CB 4.1Å; M64-V109 HydrophobicContact SD-CG1 3.8Å; M64-L110 HydrophobicContact CE-CD1 4.36Å; M64-L110 HydrophobicContact CE-CD2 3.46Å; M64-L110 VanDerWaalsContact CE-CD2 3.46Å; M64-L110 HydrophobicContact CE-CG 3.97Å; M64-L110 HydrophobicContact SD-CD2 4.37Å
65	D	92.3	Very high	95	Very high	96 Å²	96	68.9 Å²	68.9	51%	0.513	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-76.9	-8.2	-177.6	65.5	2.5	0	0	0	114.9	R33 L63	R33-D65 IonicContact CZ-OD1 3.85Å; R33-D65 IonicContact CZ-OD2 3.53Å; R33-D65 VanDerWaalsContact CZ-OD2 3.24Å; R33-D65 IonicContact NE-OD1 2.63Å; R33-D65 IonicContact NE-OD2 2.67Å; R33-D65 PolarHBondContact NE-OD2 3.19Å; R33-D65 IonicContact NH2-OD1 3.9Å; R33-D65 PolarHBondContact NH2-OD1 3.16Å; R33-D65 IonicContact NH2-OD2 2.84Å; R33-D65 PolarHBondContact NH2-OD2 3.27Å; L63-D65 VanDerWaalsContact CB-OD1 3.27Å; L63-D65 WeakPolarHBondContact CB-OD1 3.42Å; L63-D65 PolarHBondContact O-N 3.08Å; L63-D65 VanDerWaalsContact O-N 3.15Å
66	Q	94.6	Very high	95.2	Very high	48 Å²	48	68.7 Å²	68.7	22%	0.224	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-86.7	-14.1	172.8	-69.4	172.4	-51.4	0	0	112.4	L63 M64 E81	L63-Q66 HydrophobicContact CB-CG 4.16Å; L63-Q66 WeakPolarHBondContact O-CB 3.25Å; L63-Q66 PolarHBondContact O-N 2.84Å; M64-Q66 VanDerWaalsContact C-N 3.29Å; M64-Q66 PolarHBondContact O-N 3.15Å; Q66-E81 PolarHBondContact NE2-OE1 3.33Å
67	I	95.3	Very high	95.3	Very high	11 Å²	11	62.1 Å²	62.1	6%	0.056	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	115.3	-174.9	-56.3	172.9	0	0	0	109.1	V30 L62 M64 L69 L78 V109	V30-I67 HydrophobicContact CG1-CD1 3.88Å; V30-I67 HydrophobicContact CG2-CD1 4.27Å; L62-I67 HydrophobicContact CB-CD1 4.28Å; L62-I67 HydrophobicContact CB-CG1 4.41Å; L62-I67 HydrophobicContact CD1-CD1 4.24Å; L62-I67 HydrophobicContact CD1-CG1 4.25Å; M64-I67 PolarHBondContact O-N 2.62Å; I67-L69 HydrophobicContact CG2-CD2 3.86Å; I67-L78 HydrophobicContact CG2-CD2 3.86Å; I67-V109 HydrophobicContact CB-CG1 4.32Å; I67-V109 HydrophobicContact CD1-CG1 3.96Å; I67-V109 HydrophobicContact CG2-CG1 4.18Å
68	V	95.2	Very high	95.4	Very high	79 Å²	79	61.4 Å²	61.4	48%	0.479	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	122.4	172.6	177.9	0	0	0	0	109	L78 R79	V68-L78 CarbonylContact O-C 3.58Å; V68-L78 WeakPolarHBondContact O-CA 3.32Å; V68-R79 HydrophobicContact CB-CB 4.18Å; V68-R79 PolarHBondContact N-O 2.66Å; V68-R79 PolarHBondContact O-N 3.45Å
69	L	95.3	Very high	95.3	Very high	50 Å²	50	63.3 Å²	63.3	26%	0.262	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	139.2	178.7	-46.2	177.6	0	0	0	109.6	I67 L78 T108 V109 H112	I67-L69 HydrophobicContact CG2-CD2 3.86Å; L69-L78 HydrophobicContact CD2-CD2 3.41Å; L69-L78 VanDerWaalsContact CD2-CD2 3.41Å; L69-T108 HydrophobicContact CD1-CG2 3.64Å; L69-V109 HydrophobicContact CD1-CG2 4.23Å; L69-V109 HydrophobicContact CD2-CG1 4.47Å; L69-V109 HydrophobicContact CD2-CG2 4.35Å; L69-V109 HydrophobicContact CG-CG2 4.45Å; L69-H112 HydrophobicContact CD1-CB 3.85Å; L69-H112 HydrophobicContact CD2-CB 3.88Å; L69-H112 HydrophobicContact CG-CB 4.38Å
70	T	95.6	Very high	95.2	Very high	39 Å²	39	61.9 Å²	61.9	24%	0.239	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	144	178.9	63.3	0	0	0	0	110.4	G77 R79 H112	T70-G77 PolarHBondContact N-O 3.44Å; T70-G77 PolarHBondContact O-N 3.15Å; T70-G77 WeakPolarHBondContact OG1-CA 3.35Å; T70-G77 PolarHBondContact OG1-O 3.46Å; T70-R79 HydrophobicContact CG2-CG 4.1Å; T70-H112 PolarHBondContact O-CE1 2.96Å
71	I	96.1	Very high	94.8	Very high	127 Å²	127	64.1 Å²	64.1	65%	0.651	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.1	112.3	166.1	-57.4	177.9	0	0	0	105.5	Q75 L76	I71-Q75 WeakPolarHBondContact CA-O 3.41Å; I71-L76 HydrophobicContact CD1-CD2 4.36Å; I71-L76 HydrophobicContact CG1-CD2 4.05Å
72	S	93.9	Very high	94.4	Very high	79 Å²	79	68.9 Å²	68.9	55%	0.552	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.7	127	179.4	-172.8	0	0	0	0	108.8	G74 Q75	S72-G74 PolarHBondContact O-N 2.84Å; S72-G74 VanDerWaalsContact O-N 3.13Å; S72-Q75 PolarHBondContact N-O 3.45Å; S72-Q75 WeakPolarHBondContact O-CB 3.16Å; S72-Q75 PolarHBondContact O-N 2.98Å
73	Q	94.8	Very high	94.2	Very high	188 Å²	188	75.4 Å²	75.4	88%	0.879	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	35.7	-178.2	-56.7	177.8	-17.2	0	0	112.9	Q75	Q73-Q75 PolarHBondContact O-N 2.8Å
74	G	93.8	Very high	94.1	Very high	63 Å²	63	79.6 Å²	79.6	65%	0.649	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	4.2	-178.1	0	0	0	0	0	115.3	S72	S72-G74 PolarHBondContact O-N 2.84Å; S72-G74 VanDerWaalsContact O-N 3.13Å
75	Q	94	Very high	94.1	Very high	140 Å²	140	79.4 Å²	79.4	65%	0.654	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	137.8	177.9	-58.6	-56.8	-49.1	0	0	111.2	I71 S72 Q73	I71-Q75 WeakPolarHBondContact CA-O 3.41Å; S72-Q75 PolarHBondContact N-O 3.45Å; S72-Q75 WeakPolarHBondContact O-CB 3.16Å; S72-Q75 PolarHBondContact O-N 2.98Å; Q73-Q75 PolarHBondContact O-N 2.8Å
76	L	96.3	Very high	94	Very high	64 Å²	64	80 Å²	80	34%	0.335	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	139.7	173	-57.4	-178.9	0	0	0	109.8	I71 K115 M116	I71-L76 HydrophobicContact CD1-CD2 4.36Å; I71-L76 HydrophobicContact CG1-CD2 4.05Å; L76-K115 HydrophobicContact CD1-CB 3.66Å; L76-M116 HydrophobicContact CB-CG 3.77Å; L76-M116 HydrophobicContact CB-SD 4.35Å; L76-M116 HydrophobicContact CD1-CG 3.89Å; L76-M116 HydrophobicContact CG-CG 4.5Å
77	G	95.7	Very high	93.7	Very high	6 Å²	6	79.7 Å²	79.7	6%	0.062	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	165.5	176.2	0	0	0	0	0	111.8	T70 H112	T70-G77 PolarHBondContact N-O 3.44Å; T70-G77 PolarHBondContact O-N 3.15Å; T70-G77 WeakPolarHBondContact OG1-CA 3.35Å; T70-G77 PolarHBondContact OG1-O 3.46Å; G77-H112 PolarHBondContact O-NE2 3.1Å
78	L	96	Very high	93.6	Very high	0 Å²	0	82.6 Å²	82.6	0%	0	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	147.1	-176.6	-60.8	166.9	0	0	0	110.3	W28 I67 V68 L69 V85 Y88 L113 M116	W28-L78 HydrophobicContact CH2-CD1 4.15Å; W28-L78 HydrophobicContact CZ3-CD1 4.13Å; I67-L78 HydrophobicContact CG2-CD2 3.86Å; V68-L78 CarbonylContact O-C 3.58Å; V68-L78 WeakPolarHBondContact O-CA 3.32Å; L69-L78 HydrophobicContact CD2-CD2 3.41Å; L69-L78 VanDerWaalsContact CD2-CD2 3.41Å; L78-V85 HydrophobicContact CB-CB 4.09Å; L78-V85 HydrophobicContact CB-CG2 4.2Å; L78-V85 PolarHBondContact O-N 3.22Å; L78-Y88 HydrophobicContact CB-CE1 4.44Å; L78-Y88 HydrophobicContact CD1-CD1 4Å; L78-Y88 HydrophobicContact CD1-CE1 4.16Å; L78-Y88 HydrophobicContact CG-CE1 4.4Å; L78-L113 HydrophobicContact CD1-CD2 3.63Å; L78-M116 HydrophobicContact CD1-CE 4.02Å; L78-M116 HydrophobicContact CD1-SD 3.73Å; L78-M116 HydrophobicContact CD2-SD 4.11Å; L78-M116 HydrophobicContact CG-CE 3.98Å; L78-M116 HydrophobicContact CG-SD 3.66Å
79	R	95.6	Very high	93.6	Very high	102 Å²	102	79 Å²	79	39%	0.385	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	143.1	161.6	-52.3	173	73.5	91.4	-7.3	109.8	V68 T70 Q82 E83 L84	V68-R79 HydrophobicContact CB-CB 4.18Å; V68-R79 PolarHBondContact N-O 2.66Å; V68-R79 PolarHBondContact O-N 3.45Å; T70-R79 HydrophobicContact CG2-CG 4.1Å; R79-Q82 VanDerWaalsContact CZ-O 3.29Å; R79-Q82 PolarHBondContact NE-O 3.42Å; R79-Q82 PolarHBondContact NH2-O 2.8Å; R79-E83 CarbonylContact C-O 3.55Å; R79-E83 WeakPolarHBondContact CA-O 3.35Å; R79-E83 VanDerWaalsContact CB-O 3.32Å; R79-E83 WeakPolarHBondContact CB-O 3.36Å; R79-L84 HydrophobicContact CG-CD1 4.46Å
80	V	94.6	Very high	93.7	Very high	15 Å²	15	78.7 Å²	78.7	9%	0.091	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.7	171.6	173	0	0	0	0	106.4	L62 Q82 E83 V85	L62-V80 HydrophobicContact CD1-CG2 4.02Å; L62-V80 HydrophobicContact CD2-CG1 3.58Å; L62-V80 HydrophobicContact CD2-CG2 4.3Å; V80-Q82 PolarHBondContact O-N 3.26Å; V80-Q82 VanDerWaalsContact O-N 3.17Å; V80-E83 PolarHBondContact N-O 2.94Å; V80-E83 PolarHBondContact O-N 2.87Å; V80-V85 HydrophobicContact CB-CG2 4.22Å; V80-V85 HydrophobicContact CG2-CG2 3.76Å
81	E	89.5	Confident	93.8	Very high	136 Å²	136	76.9 Å²	76.9	64%	0.636	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	43.8	178.7	-60	-174.4	167.8	0	0	113.3	Q66 E83	Q66-E81 PolarHBondContact NE2-OE1 3.33Å; E81-E83 PolarHBondContact O-N 2.86Å
82	Q	88.9	Confident	93.9	Very high	170 Å²	170	70.8 Å²	70.8	79%	0.794	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	2	-176.6	-48.8	177.9	-15.4	0	0	115.8	R79 V80	R79-Q82 VanDerWaalsContact CZ-O 3.29Å; R79-Q82 PolarHBondContact NE-O 3.42Å; R79-Q82 PolarHBondContact NH2-O 2.8Å; V80-Q82 PolarHBondContact O-N 3.26Å; V80-Q82 VanDerWaalsContact O-N 3.17Å
83	E	92.9	Very high	94.1	Very high	147 Å²	147	67.1 Å²	67.1	69%	0.687	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	140.5	173.9	-61.9	-166.6	163.7	0	0	111.6	R79 V80 E81 V85	R79-E83 CarbonylContact C-O 3.55Å; R79-E83 WeakPolarHBondContact CA-O 3.35Å; R79-E83 VanDerWaalsContact CB-O 3.32Å; R79-E83 WeakPolarHBondContact CB-O 3.36Å; V80-E83 PolarHBondContact N-O 2.94Å; V80-E83 PolarHBondContact O-N 2.87Å; E81-E83 PolarHBondContact O-N 2.86Å; E83-V85 PolarHBondContact O-N 3.37Å
84	L	92.8	Very high	94.2	Very high	100 Å²	100	58.4 Å²	58.4	52%	0.524	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	126.7	175.3	-178.1	70.2	0	0	0	110	R79 T86	R79-L84 HydrophobicContact CG-CD1 4.46Å; L84-T86 HydrophobicContact CD2-CG2 4.01Å; L84-T86 HydrophobicContact CG-CG2 4.19Å; L84-T86 PolarHBondContact O-N 3.48Å
85	V	93.4	Very high	94.3	Very high	7 Å²	7	55.6 Å²	55.6	4%	0.042	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	113.5	170.8	-176.7	0	0	0	0	108.6	W28 L78 V80 E83 S87 Y88	W28-V85 HydrophobicContact CH2-CG1 3.95Å; W28-V85 HydrophobicContact CH2-CG2 4.27Å; W28-V85 HydrophobicContact CZ2-CG1 3.96Å; L78-V85 HydrophobicContact CB-CB 4.09Å; L78-V85 HydrophobicContact CB-CG2 4.2Å; L78-V85 PolarHBondContact O-N 3.22Å; V80-V85 HydrophobicContact CB-CG2 4.22Å; V80-V85 HydrophobicContact CG2-CG2 3.76Å; E83-V85 PolarHBondContact O-N 3.37Å; V85-S87 WeakPolarHBondContact CG1-O 3.35Å; V85-Y88 HydrophobicContact CB-CE1 4.1Å; V85-Y88 HydrophobicContact CG1-CD1 3.79Å; V85-Y88 HydrophobicContact CG1-CE1 3.83Å; V85-Y88 WeakPolarHBondContact O-CE1 3.39Å; V85-Y88 PolarHBondContact O-OH 3.08Å
86	T	89.6	Confident	94.2	Very high	109 Å²	109	49.1 Å²	49.1	67%	0.669	24%	0.243	S	C	*	.			trans	-101	-9.3	177.6	56.2	0	0	0	0	112.9	L84	L84-T86 HydrophobicContact CD2-CG2 4.01Å; L84-T86 HydrophobicContact CG-CG2 4.19Å; L84-T86 PolarHBondContact O-N 3.48Å
87	S	89.4	Confident	93.7	Very high	42 Å²	42	46.4 Å²	46.4	29%	0.294	23%	0.229	S	C	.	.	S	Bend	trans	-131.3	102.8	-175.2	-82.8	0	0	0	0	109.6	R26 V85	R26-S87 VanDerWaalsContact CZ-CB 3.43Å; R26-S87 PolarHBondContact NH2-OG 2.93Å; V85-S87 WeakPolarHBondContact CG1-O 3.35Å
88	Y	92	Very high	93	Very high	71 Å²	71	46.6 Å²	46.6	28%	0.278	23%	0.229	S	C	.	.			trans	-85.2	152.6	-173.4	-54.2	-54.3	0	0	0	112.5	R26 L78 V85 M116	R26-Y88 PolarHBondContact NH1-O 3.34Å; L78-Y88 HydrophobicContact CB-CE1 4.44Å; L78-Y88 HydrophobicContact CD1-CD1 4Å; L78-Y88 HydrophobicContact CD1-CE1 4.16Å; L78-Y88 HydrophobicContact CG-CE1 4.4Å; V85-Y88 HydrophobicContact CB-CE1 4.1Å; V85-Y88 HydrophobicContact CG1-CD1 3.79Å; V85-Y88 HydrophobicContact CG1-CE1 3.83Å; V85-Y88 WeakPolarHBondContact O-CE1 3.39Å; V85-Y88 PolarHBondContact O-OH 3.08Å; Y88-M116 HydrophobicContact CD1-CE 3.43Å; Y88-M116 VanDerWaalsContact CD1-CE 3.43Å; Y88-M116 HydrophobicContact CD2-CE 3.72Å; Y88-M116 HydrophobicContact CE1-CE 3.16Å; Y88-M116 HydrophobicContact CE2-CE 3.43Å; Y88-M116 VanDerWaalsContact CE2-CE 3.43Å; Y88-M116 HydrophobicContact CG-CE 3.73Å
89	P	95.4	Very high	91.7	Very high	4 Å²	4	47.8 Å²	47.8	3%	0.026	24%	0.237	C	C	.	.			trans	-70.7	147.2	173.4	32.4	-36.6	0	0	0	111.1	R26 W28 V92 C118	R26-P89 HydrophobicContact CB-CB 4.3Å; W28-P89 HydrophobicContact CB-CB 4.23Å; W28-P89 HydrophobicContact CB-CG 4.32Å; W28-P89 HydrophobicContact CD2-CB 3.92Å; W28-P89 HydrophobicContact CD2-CG 3.46Å; W28-P89 VanDerWaalsContact CD2-CG 3.46Å; W28-P89 HydrophobicContact CE3-CG 3.72Å; W28-P89 HydrophobicContact CG-CB 3.67Å; W28-P89 HydrophobicContact CG-CG 3.72Å; W28-P89 HydrophobicContact CZ2-CG 4.32Å; W28-P89 HydrophobicContact CZ3-CG 4.26Å; P89-V92 HydrophobicContact CB-CG2 4.11Å; P89-V92 HydrophobicContact CG-CG2 3.56Å; P89-C118 PolarHBondContact O-SG 2.84Å
90	Q	96.4	Very high	90.6	Very high	44 Å²	44	49.1 Å²	49.1	21%	0.206	24%	0.242	C	C	.	.	S	Bend	trans	-82.5	-31.6	168.5	-64.6	80.9	21.8	0	0	111.1	R26 R119 L326 P327	R26-Q90 PolarHBondContact O-N 3.06Å; R26-Q90 PolarHBondContact O-OE1 2.9Å; Q90-R119 WeakPolarHBondContact O-CB 3.39Å; Q90-R119 PolarHBondContact O-N 3.49Å; Q90-L326 HydrophobicContact CB-CD2 4.1Å; Q90-P327 HydrophobicContact CB-CG 4.19Å; Q90-P327 HydrophobicContact CG-CG 4.22Å
91	V	98.1	Very high	89.6	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	138	-180	176	0	0	0	0	110.1	R26 V27 W28 R119 I121 A322 T325 L326	R26-V91 PolarHBondContact O-N 3.42Å; V27-V91 WeakPolarHBondContact CA-O 3.47Å; V27-V91 HydrophobicContact CG2-CB 4.27Å; W28-V91 PolarHBondContact N-O 3.44Å; V91-R119 CarbonylContact C-O 3.49Å; V91-R119 WeakPolarHBondContact CA-O 3.44Å; V91-R119 HydrophobicContact CG2-CB 4.26Å; V91-I121 HydrophobicContact CG1-CD1 3.87Å; V91-A322 HydrophobicContact CG1-CB 4.48Å; V91-T325 WeakPolarHBondContact CG2-OG1 3.35Å; V91-L326 HydrophobicContact CB-CD2 4.31Å; V91-L326 HydrophobicContact CG2-CD2 3.79Å; V91-L326 HydrophobicContact CG2-CG 4.16Å
92	V	98.4	Very high	88.5	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	114.3	175.8	-174.7	0	0	0	0	108.8	W28 V30 P89 V94 L113 C118 R119 L120 I121	W28-V92 HydrophobicContact CB-CG1 4.29Å; W28-V92 HydrophobicContact CB-CG2 4.32Å; W28-V92 CarbonylContact O-C 3.33Å; W28-V92 WeakPolarHBondContact O-CA 3.45Å; V30-V92 HydrophobicContact CB-CG1 4.05Å; V30-V92 HydrophobicContact CG2-CG1 3.51Å; P89-V92 HydrophobicContact CB-CG2 4.11Å; P89-V92 HydrophobicContact CG-CG2 3.56Å; V92-V94 HydrophobicContact CG1-CG2 3.89Å; V92-L113 HydrophobicContact CG1-CD1 4.36Å; V92-C118 HydrophobicContact CG2-CB 3.96Å; V92-R119 PolarHBondContact N-O 3.17Å; V92-L120 HydrophobicContact CB-CD1 4.37Å; V92-L120 HydrophobicContact CB-CG 4.22Å; V92-L120 CarbonylContact O-C 3.51Å; V92-L120 WeakPolarHBondContact O-CA 3.35Å; V92-I121 PolarHBondContact O-N 3.32Å
93	L	98.4	Very high	87.3	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	118.4	169.7	-177.6	68.4	0	0	0	108.8	W28 F29 V30 I44 L48 I121 I318	W28-L93 PolarHBondContact O-N 2.68Å; F29-L93 WeakPolarHBondContact CA-O 3.41Å; F29-L93 HydrophobicContact CD2-CB 4.04Å; F29-L93 HydrophobicContact CD2-CD2 3.83Å; F29-L93 HydrophobicContact CD2-CG 3.91Å; F29-L93 WeakPolarHBondContact CD2-O 3.21Å; F29-L93 HydrophobicContact CE2-CD2 3.96Å; F29-L93 HydrophobicContact CE2-CG 4.09Å; V30-L93 PolarHBondContact N-O 3.37Å; I44-L93 HydrophobicContact CG2-CD2 3.27Å; I44-L93 HydrophobicContact CG2-CG 4.45Å; L48-L93 HydrophobicContact CD2-CB 4.19Å; L48-L93 HydrophobicContact CD2-CD2 3.89Å; L93-I121 CarbonylContact C-O 3.57Å; L93-I121 HydrophobicContact CD1-CB 3.87Å; L93-I121 HydrophobicContact CD1-CG2 3.5Å; L93-I121 VanDerWaalsContact CD1-CG2 3.5Å; L93-I121 WeakPolarHBondContact CD1-O 3.45Å; L93-I318 HydrophobicContact CD1-CG2 3.82Å; L93-I318 HydrophobicContact CD2-CG2 3.7Å; L93-I318 HydrophobicContact CG-CG2 4.46Å
94	V	97.2	Very high	86.5	Confident	5 Å²	5	42.5 Å²	42.5	3%	0.03	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.3	-170.1	177.2	0	0	0	0	110.1	V30 M64 V92 V96 L110 L120 I121 I127	V30-V94 WeakPolarHBondContact O-CA 3.33Å; M64-V94 HydrophobicContact CE-CG1 4.08Å; V92-V94 HydrophobicContact CG1-CG2 3.89Å; V94-V96 HydrophobicContact CG1-CG1 4.16Å; V94-L110 HydrophobicContact CB-CD2 4.25Å; V94-L110 HydrophobicContact CG1-CD1 3.72Å; V94-L110 HydrophobicContact CG1-CD2 3.58Å; V94-L110 HydrophobicContact CG1-CG 4.29Å; V94-L110 HydrophobicContact CG2-CD2 3.59Å; V94-L120 HydrophobicContact CG2-CB 4.29Å; V94-L120 HydrophobicContact CG2-CD2 4.22Å; V94-L120 HydrophobicContact CG2-CG 4.08Å; V94-I121 PolarHBondContact N-O 2.82Å; V94-I127 HydrophobicContact CG1-CD1 3.9Å
95	R	95	Very high	86.1	Confident	5 Å²	5	40.1 Å²	40.1	2%	0.019	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	111.6	173.9	-58.7	-65.7	-69.5	174.8	-0.1	110.2	F29 V30 T31 D32 N300 V301	F29-R95 HydrophobicContact CE2-CB 4.29Å; F29-R95 HydrophobicContact CE2-CG 3.49Å; F29-R95 VanDerWaalsContact CE2-CG 3.49Å; F29-R95 HydrophobicContact CZ-CB 4.28Å; F29-R95 HydrophobicContact CZ-CG 3.81Å; V30-R95 PolarHBondContact O-N 2.84Å; T31-R95 WeakPolarHBondContact CA-O 3.39Å; T31-R95 PolarHBondContact OG1-O 3.04Å; D32-R95 PolarHBondContact N-O 3.25Å; R95-N300 PolarHBondContact NE-OD1 3.32Å; R95-N300 PolarHBondContact NH2-OD1 3.01Å; R95-V301 PolarHBondContact NH2-O 2.56Å
96	V	91.4	Very high	85.9	Confident	4 Å²	4	40.1 Å²	40.1	2%	0.024	21%	0.214	C	C	.	.			trans	-132.2	148.3	-178.8	-67.1	0	0	0	0	110.2	M64 V94 T98 V101 I127 N300	M64-V96 HydrophobicContact CE-CG1 3.47Å; M64-V96 VanDerWaalsContact CE-CG1 3.47Å; V94-V96 HydrophobicContact CG1-CG1 4.16Å; V96-T98 PolarHBondContact O-N 3.12Å; V96-V101 HydrophobicContact CB-CG2 4.1Å; V96-V101 HydrophobicContact CG2-CG2 3.66Å; V96-I127 HydrophobicContact CG2-CD1 3.92Å; V96-I127 HydrophobicContact CG2-CG1 4.46Å; V96-I127 HydrophobicContact CG2-CG2 3.86Å; V96-N300 VanDerWaalsContact O-CB 3.25Å; V96-N300 WeakPolarHBondContact O-CB 3.41Å; V96-N300 PolarHBondContact O-ND2 3.45Å
97	P	86.1	Confident	86	Confident	6 Å²	6	35.2 Å²	35.2	4%	0.039	18%	0.184	C	C	.	.			trans	-73.3	94	-179.5	29.3	-33.5	0	0	0	110.3	D32 I35 P99 W100 V101	D32-P97 HydrophobicContact CB-CG 4.37Å; I35-P97 HydrophobicContact CG2-CB 4.05Å; I35-P97 HydrophobicContact CG2-CG 4.43Å; P97-P99 VanDerWaalsContact C-N 3.3Å; P97-P99 WeakPolarHBondContact O-CD 3.44Å; P97-W100 HydrophobicContact CB-CE3 3.86Å; P97-W100 HydrophobicContact CG-CB 4.46Å; P97-W100 HydrophobicContact CG-CE3 4.41Å; P97-W100 CarbonylContact O-C 3.52Å; P97-W100 PolarHBondContact O-N 2.93Å; P97-V101 WeakPolarHBondContact O-CG2 3.4Å; P97-V101 PolarHBondContact O-N 2.98Å
98	T	80.9	Confident	86.2	Confident	10 Å²	10	36.6 Å²	36.6	6%	0.061	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-40.3	-45.1	-176.1	-10.1	0	0	0	0	115.5	V96 W100 I127 C130 V131 A299 N300	V96-T98 PolarHBondContact O-N 3.12Å; T98-W100 VanDerWaalsContact C-N 3.28Å; T98-W100 PolarHBondContact O-N 3.05Å; T98-I127 HydrophobicContact CG2-CG2 4.39Å; T98-C130 HydrophobicContact CG2-CB 3.93Å; T98-V131 HydrophobicContact CG2-CG2 4.28Å; T98-A299 HydrophobicContact CG2-CB 4.45Å; T98-N300 WeakPolarHBondContact OG1-CB 3.29Å
99	P	69.7	Low	86.4	Confident	25 Å²	25	33.8 Å²	33.8	16%	0.162	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-69.9	-21.1	-179	-19.9	33.7	0	0	0	114.9	P97 H182	P97-P99 VanDerWaalsContact C-N 3.3Å; P97-P99 WeakPolarHBondContact O-CD 3.44Å; P99-H182 HydrophobicContact CG-CB 3.48Å; P99-H182 VanDerWaalsContact CG-CB 3.48Å; P99-H182 WeakPolarHBondContact CG-ND1 3.44Å
100	W	71.8	Confident	86.4	Confident	131 Å²	131	33.6 Å²	33.6	50%	0.496	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-126.1	19.4	-176.9	-50.8	-50.1	0	0	0	112.2	R34 P97 T98 Q102 H182	R34-W100 VanDerWaalsContact NH1-CB 3.34Å; R34-W100 PolarHBondContact NH1-O 2.68Å; R34-W100 VanDerWaalsContact NH1-O 3.1Å; R34-W100 PolarHBondContact NH2-O 2.7Å; R34-W100 VanDerWaalsContact NH2-O 3.15Å; P97-W100 HydrophobicContact CB-CE3 3.86Å; P97-W100 HydrophobicContact CG-CB 4.46Å; P97-W100 HydrophobicContact CG-CE3 4.41Å; P97-W100 CarbonylContact O-C 3.52Å; P97-W100 PolarHBondContact O-N 2.93Å; T98-W100 VanDerWaalsContact C-N 3.28Å; T98-W100 PolarHBondContact O-N 3.05Å; W100-Q102 PolarHBondContact O-N 2.96Å; W100-H182 AromaticContact CH2-CE1 3.48Å; W100-H182 VanDerWaalsContact CH2-CE1 3.48Å; W100-H182 WeakPolarHBondContact CH2-CE1 3.47Å; W100-H182 AromaticContact CH2-NE2 3.77Å; W100-H182 AromaticContact CZ2-CE1 3.41Å; W100-H182 VanDerWaalsContact CZ2-CE1 3.41Å; W100-H182 WeakPolarHBondContact CZ2-CE1 3.07Å
101	V	74.6	Confident	86.4	Confident	14 Å²	14	38.7 Å²	38.7	9%	0.085	20%	0.197	C	C	.	.			trans	-54.7	113.2	167.9	169.6	0	0	0	0	105.3	V96 P97 S103 D106 I107 I127 V131	V96-V101 HydrophobicContact CB-CG2 4.1Å; V96-V101 HydrophobicContact CG2-CG2 3.66Å; P97-V101 WeakPolarHBondContact O-CG2 3.4Å; P97-V101 PolarHBondContact O-N 2.98Å; V101-S103 VanDerWaalsContact C-N 3.34Å; V101-S103 PolarHBondContact O-N 3.13Å; V101-D106 HydrophobicContact CG1-CB 4.16Å; V101-I107 HydrophobicContact CG1-CD1 3.74Å; V101-I107 HydrophobicContact CG1-CG1 3.73Å; V101-I127 HydrophobicContact CG2-CG2 3.95Å; V101-V131 HydrophobicContact CB-CG2 4.22Å; V101-V131 HydrophobicContact CG2-CG2 4.47Å
102	Q	66.5	Low	86.3	Confident	119 Å²	119	39.6 Å²	39.6	56%	0.556	20%	0.201	S	C	*	.			trans	-74.4	101.4	172.9	-72.8	-174.2	4.2	0	0	104.8	W100 D104 S105 D106	W100-Q102 PolarHBondContact O-N 2.96Å; Q102-D104 PolarHBondContact O-N 3.42Å; Q102-S105 WeakPolarHBondContact CB-OG 3.06Å; Q102-S105 PolarHBondContact O-N 3.15Å; Q102-S105 VanDerWaalsContact O-N 3.12Å; Q102-S105 PolarHBondContact OE1-OG 3.36Å; Q102-S105 VanDerWaalsContact OE1-OG 3.08Å; Q102-D106 PolarHBondContact N-OD2 3.08Å; Q102-D106 PolarHBondContact O-N 3.43Å; Q102-D106 VanDerWaalsContact O-N 3.11Å
103	S	63.8	Low	86.3	Confident	68 Å²	68	39.6 Å²	39.6	48%	0.476	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-19.2	-167.6	58.2	0	0	0	0	113.9	V101 I107	V101-S103 VanDerWaalsContact C-N 3.34Å; V101-S103 PolarHBondContact O-N 3.13Å; S103-I107 WeakPolarHBondContact O-CB 3.42Å; S103-I107 WeakPolarHBondContact O-CG1 3.32Å
104	D	74.7	Confident	86.2	Confident	128 Å²	128	42.7 Å²	42.7	68%	0.684	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-21.8	-174.7	-66.3	15.8	0	0	0	112.5	Q102 T108	Q102-D104 PolarHBondContact O-N 3.42Å; D104-T108 WeakPolarHBondContact O-CB 3.48Å; D104-T108 PolarHBondContact O-OG1 3.16Å
105	S	84.5	Confident	86.1	Confident	50 Å²	50	49.9 Å²	49.9	35%	0.35	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-60.8	177.7	54.4	0	0	0	0	111	Q102 I107 T108 V109	Q102-S105 WeakPolarHBondContact CB-OG 3.06Å; Q102-S105 PolarHBondContact O-N 3.15Å; Q102-S105 VanDerWaalsContact O-N 3.12Å; Q102-S105 PolarHBondContact OE1-OG 3.36Å; Q102-S105 VanDerWaalsContact OE1-OG 3.08Å; S105-I107 PolarHBondContact O-N 2.95Å; S105-T108 PolarHBondContact O-N 3.38Å; S105-V109 PolarHBondContact O-N 2.91Å; S105-V109 VanDerWaalsContact O-N 3.13Å
106	D	89.6	Confident	86.1	Confident	7 Å²	7	51.4 Å²	51.4	4%	0.037	25%	0.254	C	S	.	.	H	α-helix	trans	-59.1	-51.5	-178	-63.7	-35.4	0	0	0	110.6	R34 V101 Q102 T108 V109 L110	R34-D106 IonicContact NH2-OD2 3.21Å; V101-D106 HydrophobicContact CG1-CB 4.16Å; Q102-D106 PolarHBondContact N-OD2 3.08Å; Q102-D106 PolarHBondContact O-N 3.43Å; Q102-D106 VanDerWaalsContact O-N 3.11Å; D106-T108 VanDerWaalsContact C-N 3.28Å; D106-T108 PolarHBondContact O-N 3.01Å; D106-V109 PolarHBondContact O-N 3.38Å; D106-L110 VanDerWaalsContact O-CG 3.31Å; D106-L110 WeakPolarHBondContact O-CG 3.44Å; D106-L110 PolarHBondContact O-N 2.88Å
107	I	92.3	Very high	86.3	Confident	6 Å²	6	54.3 Å²	54.3	3%	0.031	29%	0.285	C	S	.	.	H	α-helix	trans	-67	-30.8	-179.3	-58.4	-63.2	0	0	0	111.4	V101 S103 S105 L110 R111 P124 I127 L128	V101-I107 HydrophobicContact CG1-CD1 3.74Å; V101-I107 HydrophobicContact CG1-CG1 3.73Å; S103-I107 WeakPolarHBondContact O-CB 3.42Å; S103-I107 WeakPolarHBondContact O-CG1 3.32Å; S105-I107 PolarHBondContact O-N 2.95Å; I107-L110 HydrophobicContact CD1-CD1 4.45Å; I107-L110 PolarHBondContact O-N 3.38Å; I107-R111 HydrophobicContact CG2-CG 3.88Å; I107-R111 VanDerWaalsContact O-CB 3.27Å; I107-R111 WeakPolarHBondContact O-CB 3.31Å; I107-R111 VanDerWaalsContact O-CG 3.24Å; I107-R111 WeakPolarHBondContact O-CG 3.38Å; I107-R111 PolarHBondContact O-N 2.96Å; I107-P124 HydrophobicContact CG2-CB 4.39Å; I107-I127 HydrophobicContact CD1-CG2 4.39Å; I107-L128 HydrophobicContact CD1-CD2 3.99Å; I107-L128 HydrophobicContact CD1-CG 3.92Å; I107-L128 HydrophobicContact CG1-CD2 3.98Å; I107-L128 HydrophobicContact CG1-CG 4.34Å; I107-L128 HydrophobicContact CG2-CD1 4.18Å
108	T	94.2	Very high	86.8	Confident	71 Å²	71	54.4 Å²	54.4	44%	0.436	29%	0.286	S	S	.	.	H	α-helix	trans	-65.4	-42.2	176.4	-69.7	0	0	0	0	111.1	L69 D104 S105 D106 H112	L69-T108 HydrophobicContact CD1-CG2 3.64Å; D104-T108 WeakPolarHBondContact O-CB 3.48Å; D104-T108 PolarHBondContact O-OG1 3.16Å; S105-T108 PolarHBondContact O-N 3.38Å; D106-T108 VanDerWaalsContact C-N 3.28Å; D106-T108 PolarHBondContact O-N 3.01Å; T108-H112 VanDerWaalsContact O-CB 3.28Å; T108-H112 WeakPolarHBondContact O-CB 3.26Å; T108-H112 PolarHBondContact O-N 3.14Å
109	V	95.3	Very high	87.5	Confident	12 Å²	12	56.8 Å²	56.8	7%	0.073	29%	0.293	C	S	.	.	H	α-helix	trans	-59.7	-49.4	172.1	175.3	0	0	0	0	110.6	M64 I67 L69 S105 D106 R111 H112 L113	M64-V109 HydrophobicContact SD-CB 4.1Å; M64-V109 HydrophobicContact SD-CG1 3.8Å; I67-V109 HydrophobicContact CB-CG1 4.32Å; I67-V109 HydrophobicContact CD1-CG1 3.96Å; I67-V109 HydrophobicContact CG2-CG1 4.18Å; L69-V109 HydrophobicContact CD1-CG2 4.23Å; L69-V109 HydrophobicContact CD2-CG1 4.47Å; L69-V109 HydrophobicContact CD2-CG2 4.35Å; L69-V109 HydrophobicContact CG-CG2 4.45Å; S105-V109 PolarHBondContact O-N 2.91Å; S105-V109 VanDerWaalsContact O-N 3.13Å; D106-V109 PolarHBondContact O-N 3.38Å; V109-R111 PolarHBondContact O-N 3.31Å; V109-H112 WeakPolarHBondContact O-CB 3.37Å; V109-H112 PolarHBondContact O-N 3.44Å; V109-L113 HydrophobicContact CG1-CD1 4.09Å; V109-L113 WeakPolarHBondContact O-CG 3.28Å; V109-L113 PolarHBondContact O-N 3.19Å
110	L	95.9	Very high	88.9	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-64.6	-43.3	-177.4	-62.8	-178	0	0	0	112.9	M64 V94 D106 I107 H112 L113 E114 L120 P124 I127	M64-L110 HydrophobicContact CE-CD1 4.36Å; M64-L110 HydrophobicContact CE-CD2 3.46Å; M64-L110 VanDerWaalsContact CE-CD2 3.46Å; M64-L110 HydrophobicContact CE-CG 3.97Å; M64-L110 HydrophobicContact SD-CD2 4.37Å; V94-L110 HydrophobicContact CB-CD2 4.25Å; V94-L110 HydrophobicContact CG1-CD1 3.72Å; V94-L110 HydrophobicContact CG1-CD2 3.58Å; V94-L110 HydrophobicContact CG1-CG 4.29Å; V94-L110 HydrophobicContact CG2-CD2 3.59Å; D106-L110 VanDerWaalsContact O-CG 3.31Å; D106-L110 WeakPolarHBondContact O-CG 3.44Å; D106-L110 PolarHBondContact O-N 2.88Å; I107-L110 HydrophobicContact CD1-CD1 4.45Å; I107-L110 PolarHBondContact O-N 3.38Å; L110-H112 VanDerWaalsContact C-N 3.29Å; L110-H112 PolarHBondContact O-N 2.96Å; L110-L113 PolarHBondContact O-N 3.1Å; L110-E114 WeakPolarHBondContact O-CB 3.24Å; L110-E114 PolarHBondContact O-N 3.33Å; L110-L120 HydrophobicContact CB-CD2 3.82Å; L110-L120 HydrophobicContact CD2-CD2 3.9Å; L110-L120 HydrophobicContact CG-CD2 4.44Å; L110-L120 WeakPolarHBondContact O-CD2 3.46Å; L110-P124 HydrophobicContact CB-CB 4.12Å; L110-P124 HydrophobicContact CB-CG 3.79Å; L110-I127 HydrophobicContact CD1-CD1 3.66Å
111	R	95.9	Very high	90.2	Very high	150 Å²	150	49.4 Å²	49.4	57%	0.566	26%	0.262	S	S	*	.	H	α-helix	trans	-62.8	-38.2	175	-75.5	178.6	67	166.4	1.7	111.4	I107 V109 E114 K115 P124	I107-R111 HydrophobicContact CG2-CG 3.88Å; I107-R111 VanDerWaalsContact O-CB 3.27Å; I107-R111 WeakPolarHBondContact O-CB 3.31Å; I107-R111 VanDerWaalsContact O-CG 3.24Å; I107-R111 WeakPolarHBondContact O-CG 3.38Å; I107-R111 PolarHBondContact O-N 2.96Å; V109-R111 PolarHBondContact O-N 3.31Å; R111-E114 PolarHBondContact O-N 3.46Å; R111-K115 WeakPolarHBondContact O-CB 3.4Å; R111-K115 VanDerWaalsContact O-CG 3.24Å; R111-K115 WeakPolarHBondContact O-CG 3.5Å; R111-K115 PolarHBondContact O-N 2.86Å; R111-P124 HydrophobicContact CG-CB 4.12Å; R111-P124 HydrophobicContact CG-CG 4.17Å
112	H	96.9	Very high	91.3	Very high	19 Å²	19	48.9 Å²	48.9	9%	0.088	26%	0.259	C	S	.	.	H	α-helix	trans	-64.2	-48.3	177.3	-167.2	104	0	0	0	110.9	L69 T70 G77 T108 V109 L110 E114 K115 M116	L69-H112 HydrophobicContact CD1-CB 3.85Å; L69-H112 HydrophobicContact CD2-CB 3.88Å; L69-H112 HydrophobicContact CG-CB 4.38Å; T70-H112 PolarHBondContact O-CE1 2.96Å; G77-H112 PolarHBondContact O-NE2 3.1Å; T108-H112 VanDerWaalsContact O-CB 3.28Å; T108-H112 WeakPolarHBondContact O-CB 3.26Å; T108-H112 PolarHBondContact O-N 3.14Å; V109-H112 WeakPolarHBondContact O-CB 3.37Å; V109-H112 PolarHBondContact O-N 3.44Å; L110-H112 VanDerWaalsContact C-N 3.29Å; L110-H112 PolarHBondContact O-N 2.96Å; H112-E114 VanDerWaalsContact C-N 3.34Å; H112-E114 PolarHBondContact O-N 3.08Å; H112-K115 PolarHBondContact O-N 2.78Å; H112-M116 PolarHBondContact CD2-SD 2.99Å; H112-M116 VanDerWaalsContact O-CG 3.3Å; H112-M116 WeakPolarHBondContact O-CG 3.24Å; H112-M116 PolarHBondContact O-N 3.06Å
113	L	96.9	Very high	92.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58.4	-44.1	175	-68	169.3	0	0	0	112	W28 L78 V92 V109 L110 K115 M116 C118 L120	W28-L113 HydrophobicContact CZ3-CD2 4.2Å; L78-L113 HydrophobicContact CD1-CD2 3.63Å; V92-L113 HydrophobicContact CG1-CD1 4.36Å; V109-L113 HydrophobicContact CG1-CD1 4.09Å; V109-L113 WeakPolarHBondContact O-CG 3.28Å; V109-L113 PolarHBondContact O-N 3.19Å; L110-L113 PolarHBondContact O-N 3.1Å; L113-K115 PolarHBondContact O-N 3.5Å; L113-M116 PolarHBondContact O-N 3.35Å; L113-C118 HydrophobicContact CB-CB 4.45Å; L113-C118 VanDerWaalsContact O-CB 3.27Å; L113-C118 WeakPolarHBondContact O-CB 3.35Å; L113-C118 PolarHBondContact O-N 3.13Å; L113-C118 PolarHBondContact O-SG 2.64Å; L113-C118 VanDerWaalsContact O-SG 3.4Å; L113-L120 HydrophobicContact CB-CD1 3.97Å; L113-L120 HydrophobicContact CB-CD2 4.4Å
114	E	96.1	Very high	94.1	Very high	67 Å²	67	45.8 Å²	45.8	31%	0.313	23%	0.232	S	C	.	.	H	α-helix	trans	-62.1	-42	176.6	-172.9	176.3	-119.1	0	0	111.9	L110 R111 H112 M116 G117 L120	L110-E114 WeakPolarHBondContact O-CB 3.24Å; L110-E114 PolarHBondContact O-N 3.33Å; R111-E114 PolarHBondContact O-N 3.46Å; H112-E114 VanDerWaalsContact C-N 3.34Å; H112-E114 PolarHBondContact O-N 3.08Å; E114-M116 VanDerWaalsContact C-N 3.26Å; E114-M116 PolarHBondContact O-N 3.18Å; E114-G117 PolarHBondContact O-N 2.55Å; E114-L120 HydrophobicContact CB-CD1 4.19Å; E114-L120 HydrophobicContact CB-CD2 4.43Å
115	K	96.4	Very high	95	Very high	155 Å²	155	45.1 Å²	45.1	67%	0.674	23%	0.225	S	C	*	.	H	α-helix	trans	-69	-22.1	177	-71.3	-66.8	179.3	-171.3	0	113.9	L76 R111 H112 L113 G117	L76-K115 HydrophobicContact CD1-CB 3.66Å; R111-K115 WeakPolarHBondContact O-CB 3.4Å; R111-K115 VanDerWaalsContact O-CG 3.24Å; R111-K115 WeakPolarHBondContact O-CG 3.5Å; R111-K115 PolarHBondContact O-N 2.86Å; H112-K115 PolarHBondContact O-N 2.78Å; L113-K115 PolarHBondContact O-N 3.5Å; K115-G117 PolarHBondContact O-N 3.33Å
116	M	95.1	Very high	95.5	Very high	38 Å²	38	42.9 Å²	42.9	19%	0.187	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-0.8	169.9	-66.1	176.7	79.6	0	0	113.1	L76 L78 Y88 H112 L113 E114	L76-M116 HydrophobicContact CB-CG 3.77Å; L76-M116 HydrophobicContact CB-SD 4.35Å; L76-M116 HydrophobicContact CD1-CG 3.89Å; L76-M116 HydrophobicContact CG-CG 4.5Å; L78-M116 HydrophobicContact CD1-CE 4.02Å; L78-M116 HydrophobicContact CD1-SD 3.73Å; L78-M116 HydrophobicContact CD2-SD 4.11Å; L78-M116 HydrophobicContact CG-CE 3.98Å; L78-M116 HydrophobicContact CG-SD 3.66Å; Y88-M116 HydrophobicContact CD1-CE 3.43Å; Y88-M116 VanDerWaalsContact CD1-CE 3.43Å; Y88-M116 HydrophobicContact CD2-CE 3.72Å; Y88-M116 HydrophobicContact CE1-CE 3.16Å; Y88-M116 HydrophobicContact CE2-CE 3.43Å; Y88-M116 VanDerWaalsContact CE2-CE 3.43Å; Y88-M116 HydrophobicContact CG-CE 3.73Å; H112-M116 PolarHBondContact CD2-SD 2.99Å; H112-M116 VanDerWaalsContact O-CG 3.3Å; H112-M116 WeakPolarHBondContact O-CG 3.24Å; H112-M116 PolarHBondContact O-N 3.06Å; L113-M116 PolarHBondContact O-N 3.35Å; E114-M116 VanDerWaalsContact C-N 3.26Å; E114-M116 PolarHBondContact O-N 3.18Å
117	G	94.3	Very high	95.7	Very high	65 Å²	65	42.8 Å²	42.8	67%	0.67	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	92	9.2	177	0	0	0	0	0	114.5	E114 K115	E114-G117 PolarHBondContact O-N 2.55Å; K115-G117 PolarHBondContact O-N 3.33Å
118	C	96.4	Very high	95.7	Very high	8 Å²	8	44.5 Å²	44.5	5%	0.054	22%	0.218	C	C	.	.			trans	-71.9	140	176.1	-56.2	0	0	0	0	111.2	P89 V92 L113 L120	P89-C118 PolarHBondContact O-SG 2.84Å; V92-C118 HydrophobicContact CG2-CB 3.96Å; L113-C118 HydrophobicContact CB-CB 4.45Å; L113-C118 VanDerWaalsContact O-CB 3.27Å; L113-C118 WeakPolarHBondContact O-CB 3.35Å; L113-C118 PolarHBondContact O-N 3.13Å; L113-C118 PolarHBondContact O-SG 2.64Å; L113-C118 VanDerWaalsContact O-SG 3.4Å; C118-L120 HydrophobicContact CB-CD1 3.72Å; C118-L120 VanDerWaalsContact O-CD1 3.25Å; C118-L120 WeakPolarHBondContact O-CD1 3.48Å; C118-L120 PolarHBondContact O-N 3.26Å
119	R	97.3	Very high	95.7	Very high	59 Å²	59	42 Å²	42	22%	0.223	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	106.6	169.1	175.6	56.8	172.2	107.3	2.9	110.1	Q90 V91 V92 D278	Q90-R119 WeakPolarHBondContact O-CB 3.39Å; Q90-R119 PolarHBondContact O-N 3.49Å; V91-R119 CarbonylContact C-O 3.49Å; V91-R119 WeakPolarHBondContact CA-O 3.44Å; V91-R119 HydrophobicContact CG2-CB 4.26Å; V92-R119 PolarHBondContact N-O 3.17Å; R119-D278 IonicContact CZ-OD1 2.81Å; R119-D278 IonicContact CZ-OD2 2.72Å; R119-D278 VanDerWaalsContact CZ-OD2 3.3Å; R119-D278 IonicContact NH1-OD1 2.68Å; R119-D278 IonicContact NH1-OD2 2.66Å; R119-D278 PolarHBondContact NH1-OD2 3.06Å; R119-D278 IonicContact NH2-OD1 3.77Å; R119-D278 PolarHBondContact NH2-OD1 3.32Å; R119-D278 IonicContact NH2-OD2 3.69Å; R119-D278 PolarHBondContact NH2-OD2 2.66Å
120	L	98.3	Very high	95.5	Very high	1 Å²	1	42 Å²	42	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	135.3	179.9	-82	66	0	0	0	112.1	V92 V94 L110 L113 E114 C118 N122 R123 P124	V92-L120 HydrophobicContact CB-CD1 4.37Å; V92-L120 HydrophobicContact CB-CG 4.22Å; V92-L120 CarbonylContact O-C 3.51Å; V92-L120 WeakPolarHBondContact O-CA 3.35Å; V94-L120 HydrophobicContact CG2-CB 4.29Å; V94-L120 HydrophobicContact CG2-CD2 4.22Å; V94-L120 HydrophobicContact CG2-CG 4.08Å; L110-L120 HydrophobicContact CB-CD2 3.82Å; L110-L120 HydrophobicContact CD2-CD2 3.9Å; L110-L120 HydrophobicContact CG-CD2 4.44Å; L110-L120 WeakPolarHBondContact O-CD2 3.46Å; L113-L120 HydrophobicContact CB-CD1 3.97Å; L113-L120 HydrophobicContact CB-CD2 4.4Å; E114-L120 HydrophobicContact CB-CD1 4.19Å; E114-L120 HydrophobicContact CB-CD2 4.43Å; C118-L120 HydrophobicContact CB-CD1 3.72Å; C118-L120 VanDerWaalsContact O-CD1 3.25Å; C118-L120 WeakPolarHBondContact O-CD1 3.48Å; C118-L120 PolarHBondContact O-N 3.26Å; L120-N122 CarbonylContact O-C 3.55Å; L120-R123 WeakPolarHBondContact O-CG 3.3Å; L120-R123 PolarHBondContact O-N 3.03Å; L120-P124 HydrophobicContact CD2-CG 4.18Å
121	I	98.4	Very high	95.2	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	103.7	177.4	-62.1	169.8	0	0	0	107.9	V91 V92 L93 V94 D278 V279 F321 A322 T325	V91-I121 HydrophobicContact CG1-CD1 3.87Å; V92-I121 PolarHBondContact O-N 3.32Å; L93-I121 CarbonylContact C-O 3.57Å; L93-I121 HydrophobicContact CD1-CB 3.87Å; L93-I121 HydrophobicContact CD1-CG2 3.5Å; L93-I121 VanDerWaalsContact CD1-CG2 3.5Å; L93-I121 WeakPolarHBondContact CD1-O 3.45Å; V94-I121 PolarHBondContact N-O 2.82Å; I121-D278 HydrophobicContact CG2-CB 3.75Å; I121-V279 HydrophobicContact CG2-CG2 3.8Å; I121-F321 HydrophobicContact CD1-CD1 4.09Å; I121-F321 HydrophobicContact CD1-CE1 3.76Å; I121-F321 HydrophobicContact CG1-CE1 4.18Å; I121-F321 HydrophobicContact CG2-CD1 4.37Å; I121-F321 HydrophobicContact CG2-CE1 4.04Å; I121-A322 HydrophobicContact CD1-CB 4Å; I121-T325 HydrophobicContact CD1-CG2 4.21Å
122	N	97.6	Very high	94.9	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.016	18%	0.183	C	C	.	.	S	Bend	cis	-75.8	161.9	-10.7	-70.2	-35.1	0	0	0	111.7	L120 A126 I127 D278 V279 A299	L120-N122 CarbonylContact O-C 3.55Å; N122-A126 HydrophobicContact CB-CB 4.3Å; N122-I127 HydrophobicContact CB-CD1 4.46Å; N122-I127 HydrophobicContact CB-CG1 4.07Å; N122-D278 WeakPolarHBondContact OD1-CA 3.4Å; N122-D278 WeakPolarHBondContact OD1-CB 3.48Å; N122-D278 PolarHBondContact OD1-N 3.14Å; N122-V279 PolarHBondContact ND2-O 3.37Å; N122-V279 PolarHBondContact OD1-N 3.29Å; N122-A299 PolarHBondContact ND2-O 3.14Å
123	R	96	Very high	94.6	Very high	118 Å²	118	36.1 Å²	36.1	45%	0.445	18%	0.183	S	C	.	.			trans	-70.4	157.5	173	-65.1	-173.4	-173.1	-177.7	-0.3	112.1	L120 Q125 A126 I127	L120-R123 WeakPolarHBondContact O-CG 3.3Å; L120-R123 PolarHBondContact O-N 3.03Å; R123-Q125 VanDerWaalsContact C-N 3.3Å; R123-Q125 PolarHBondContact O-N 3.35Å; R123-A126 PolarHBondContact O-N 3.11Å; R123-I127 PolarHBondContact O-N 3.28Å; R123-I127 VanDerWaalsContact O-N 3.15Å
124	P	94.3	Very high	94.4	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.019	19%	0.192	C	C	.	.	H	α-helix	trans	-56.2	-43.1	179.4	-13.2	19.4	0	0	0	112.7	I107 L110 R111 L120 A126 I127 L128	I107-P124 HydrophobicContact CG2-CB 4.39Å; L110-P124 HydrophobicContact CB-CB 4.12Å; L110-P124 HydrophobicContact CB-CG 3.79Å; R111-P124 HydrophobicContact CG-CB 4.12Å; R111-P124 HydrophobicContact CG-CG 4.17Å; L120-P124 HydrophobicContact CD2-CG 4.18Å; P124-A126 PolarHBondContact O-N 3.2Å; P124-I127 PolarHBondContact O-N 3.15Å; P124-L128 WeakPolarHBondContact O-CG 3.32Å; P124-L128 PolarHBondContact O-N 2.82Å
125	Q	94.1	Very high	94.2	Very high	114 Å²	114	39.9 Å²	39.9	53%	0.533	20%	0.196	S	C	.	.	H	α-helix	trans	-62.9	-41.5	180	-170.4	61.6	47.2	0	0	112.3	R123 I127 L128 N129	R123-Q125 VanDerWaalsContact C-N 3.3Å; R123-Q125 PolarHBondContact O-N 3.35Å; Q125-I127 VanDerWaalsContact C-N 3.3Å; Q125-I127 PolarHBondContact O-N 3.38Å; Q125-L128 PolarHBondContact O-N 3.08Å; Q125-N129 PolarHBondContact NE2-OD1 3.36Å; Q125-N129 PolarHBondContact O-N 3.39Å; Q125-N129 PolarHBondContact O-OD1 3.21Å
126	A	95.1	Very high	94.2	Very high	3 Å²	3	32.7 Å²	32.7	3%	0.025	17%	0.165	C	C	.	.	H	α-helix	trans	-64.6	-36.7	178.5	0	0	0	0	0	112.2	N122 R123 P124 C130 L275 G276 M277	N122-A126 HydrophobicContact CB-CB 4.3Å; R123-A126 PolarHBondContact O-N 3.11Å; P124-A126 PolarHBondContact O-N 3.2Å; A126-C130 PolarHBondContact O-SG 3.42Å; A126-C130 VanDerWaalsContact O-SG 3.38Å; A126-L275 VanDerWaalsContact CA-O 3.28Å; A126-L275 WeakPolarHBondContact CA-O 3.35Å; A126-L275 VanDerWaalsContact CB-O 3.26Å; A126-L275 WeakPolarHBondContact CB-O 2.95Å; A126-G276 WeakPolarHBondContact CB-O 3.32Å; A126-M277 HydrophobicContact CB-CG 4.21Å
127	I	94	Very high	94.3	Very high	6 Å²	6	31.4 Å²	31.4	3%	0.031	16%	0.158	C	C	.	.	H	α-helix	trans	-64.5	-49.6	172.8	-66.2	162.7	0	0	0	109.8	V94 V96 T98 V101 I107 L110 N122 R123 P124 Q125 N129 C130 V131 A299	V94-I127 HydrophobicContact CG1-CD1 3.9Å; V96-I127 HydrophobicContact CG2-CD1 3.92Å; V96-I127 HydrophobicContact CG2-CG1 4.46Å; V96-I127 HydrophobicContact CG2-CG2 3.86Å; T98-I127 HydrophobicContact CG2-CG2 4.39Å; V101-I127 HydrophobicContact CG2-CG2 3.95Å; I107-I127 HydrophobicContact CD1-CG2 4.39Å; L110-I127 HydrophobicContact CD1-CD1 3.66Å; N122-I127 HydrophobicContact CB-CD1 4.46Å; N122-I127 HydrophobicContact CB-CG1 4.07Å; R123-I127 PolarHBondContact O-N 3.28Å; R123-I127 VanDerWaalsContact O-N 3.15Å; P124-I127 PolarHBondContact O-N 3.15Å; Q125-I127 VanDerWaalsContact C-N 3.3Å; Q125-I127 PolarHBondContact O-N 3.38Å; I127-N129 VanDerWaalsContact C-N 3.33Å; I127-N129 PolarHBondContact O-N 2.9Å; I127-C130 CarbonylContact O-C 3.55Å; I127-C130 PolarHBondContact O-N 3.3Å; I127-V131 WeakPolarHBondContact O-CG2 3.28Å; I127-V131 PolarHBondContact O-N 2.95Å; I127-A299 HydrophobicContact CG1-CB 4.42Å
128	L	92.1	Very high	94.3	Very high	42 Å²	42	33.6 Å²	33.6	22%	0.22	15%	0.151	C	C	.	.	H	α-helix	trans	-57.8	-42.3	179.7	-75.7	171.2	0	0	0	112.7	I107 P124 Q125 C130 V131	I107-L128 HydrophobicContact CD1-CD2 3.99Å; I107-L128 HydrophobicContact CD1-CG 3.92Å; I107-L128 HydrophobicContact CG1-CD2 3.98Å; I107-L128 HydrophobicContact CG1-CG 4.34Å; I107-L128 HydrophobicContact CG2-CD1 4.18Å; P124-L128 WeakPolarHBondContact O-CG 3.32Å; P124-L128 PolarHBondContact O-N 2.82Å; Q125-L128 PolarHBondContact O-N 3.08Å; L128-C130 PolarHBondContact O-N 3.45Å; L128-C130 VanDerWaalsContact O-N 3.07Å; L128-V131 PolarHBondContact O-N 3.18Å; L128-V131 VanDerWaalsContact O-N 3.11Å
129	N	92.9	Very high	94.3	Very high	17 Å²	17	37.3 Å²	37.3	9%	0.091	17%	0.167	C	C	.	.	H	α-helix	trans	-59.9	-19.8	176.6	-70	1.8	0	0	0	112.9	Q125 I127 T136 L275	Q125-N129 PolarHBondContact NE2-OD1 3.36Å; Q125-N129 PolarHBondContact O-N 3.39Å; Q125-N129 PolarHBondContact O-OD1 3.21Å; I127-N129 VanDerWaalsContact C-N 3.33Å; I127-N129 PolarHBondContact O-N 2.9Å; N129-T136 WeakPolarHBondContact O-CA 3.23Å; N129-T136 WeakPolarHBondContact O-CB 3.46Å; N129-T136 PolarHBondContact O-N 2.86Å; N129-T136 PolarHBondContact O-OG1 3.33Å; N129-L275 HydrophobicContact CB-CD2 4.04Å
130	C	91.8	Very high	94.3	Very high	14 Å²	14	34.5 Å²	34.5	10%	0.095	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-0.7	179.5	-59.5	0	0	0	0	114.3	T98 A126 I127 L128 M277 A299	T98-C130 HydrophobicContact CG2-CB 3.93Å; A126-C130 PolarHBondContact O-SG 3.42Å; A126-C130 VanDerWaalsContact O-SG 3.38Å; I127-C130 CarbonylContact O-C 3.55Å; I127-C130 PolarHBondContact O-N 3.3Å; L128-C130 PolarHBondContact O-N 3.45Å; L128-C130 VanDerWaalsContact O-N 3.07Å; C130-M277 PolarHBondContact SG-SD 2.99Å; C130-A299 HydrophobicContact CB-CB 3.93Å
131	V	89.4	Confident	94.3	Very high	16 Å²	16	37.2 Å²	37.2	10%	0.097	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-36.5	179.5	171.6	0	0	0	0	111	T98 V101 I127 L128	T98-V131 HydrophobicContact CG2-CG2 4.28Å; V101-V131 HydrophobicContact CB-CG2 4.22Å; V101-V131 HydrophobicContact CG2-CG2 4.47Å; I127-V131 WeakPolarHBondContact O-CG2 3.28Å; I127-V131 PolarHBondContact O-N 2.95Å; L128-V131 PolarHBondContact O-N 3.18Å; L128-V131 VanDerWaalsContact O-N 3.11Å
132	N	89.6	Confident	93.9	Very high	11 Å²	11	40.4 Å²	40.4	6%	0.059	21%	0.212	C	C	.	.	S	Bend	trans	-122.1	120.9	-179.4	-178.5	-29.3	0	0	0	109.4	F134 W135 T136 A179 R180	N132-F134 PolarHBondContact O-N 3.08Å; N132-F134 WeakPolarHBondContact OD1-CB 3.49Å; N132-F134 PolarHBondContact OD1-N 3.43Å; N132-W135 HydrophobicContact CB-CB 4.07Å; N132-W135 HydrophobicContact CB-CD2 3.42Å; N132-W135 VanDerWaalsContact CB-CD2 3.42Å; N132-W135 HydrophobicContact CB-CE3 3.58Å; N132-W135 HydrophobicContact CB-CG 3.63Å; N132-W135 HydrophobicContact CB-CZ3 4.24Å; N132-W135 PolarHBondContact ND2-NE1 2.72Å; N132-W135 WeakPolarHBondContact O-CB 3.36Å; N132-W135 PolarHBondContact O-N 2.82Å; N132-T136 PolarHBondContact O-N 2.96Å; N132-T136 PolarHBondContact O-OG1 2.86Å; N132-A179 WeakPolarHBondContact CA-O 3.49Å; N132-A179 WeakPolarHBondContact OD1-CB 3.17Å; N132-R180 HydrophobicContact CB-CG 4.36Å
133	K	91.8	Very high	93.9	Very high	18 Å²	18	45.6 Å²	45.6	8%	0.078	24%	0.236	C	C	.	.	H	α-helix	trans	-57.8	-35.8	-178.5	-64.9	-176.2	-173.4	69.2	0	113.1	T136 F137 K177 N178 A179 G181 L210 E296	K133-T136 WeakPolarHBondContact O-CB 3.32Å; K133-T136 PolarHBondContact O-N 3.36Å; K133-F137 WeakPolarHBondContact O-CG 3.46Å; K133-F137 PolarHBondContact O-N 3.46Å; K133-K177 HydrophobicContact CD-CD 4.46Å; K133-N178 PolarHBondContact NZ-O 3.04Å; K133-N178 VanDerWaalsContact NZ-O 3.09Å; K133-A179 PolarHBondContact N-O 3.25Å; K133-G181 PolarHBondContact NZ-O 2.87Å; K133-L210 HydrophobicContact CB-CD2 3.67Å; K133-L210 HydrophobicContact CD-CD2 4.48Å; K133-E296 WeakPolarHBondContact CE-OE2 3.22Å
134	F	92.1	Very high	93.9	Very high	43 Å²	43	43.1 Å²	43.1	19%	0.189	25%	0.247	C	C	.	.	H	α-helix	trans	-71	-37.9	178.6	-161.7	-98.9	0	0	0	111.5	N132 T136 F137 Q138 T150 L210	N132-F134 PolarHBondContact O-N 3.08Å; N132-F134 WeakPolarHBondContact OD1-CB 3.49Å; N132-F134 PolarHBondContact OD1-N 3.43Å; F134-T136 VanDerWaalsContact C-N 3.3Å; F134-T136 PolarHBondContact O-N 3.36Å; F134-F137 PolarHBondContact O-N 2.88Å; F134-Q138 HydrophobicContact CD1-CG 4.02Å; F134-Q138 HydrophobicContact CE1-CG 3.93Å; F134-Q138 WeakPolarHBondContact O-CG 3.27Å; F134-Q138 PolarHBondContact O-N 2.93Å; F134-T150 HydrophobicContact CD2-CG2 4Å; F134-T150 HydrophobicContact CE2-CG2 4.05Å; F134-L210 HydrophobicContact CB-CD2 4.49Å; F134-L210 HydrophobicContact CD2-CB 4.4Å
135	W	92.3	Very high	94.1	Very high	103 Å²	103	43.3 Å²	43.3	39%	0.39	25%	0.249	S	C	.	.	H	α-helix	trans	-61.7	-41.3	172.1	-60	-13.7	0	0	0	111.1	N132 F137 Q138 E139	N132-W135 HydrophobicContact CB-CB 4.07Å; N132-W135 HydrophobicContact CB-CD2 3.42Å; N132-W135 VanDerWaalsContact CB-CD2 3.42Å; N132-W135 HydrophobicContact CB-CE3 3.58Å; N132-W135 HydrophobicContact CB-CG 3.63Å; N132-W135 HydrophobicContact CB-CZ3 4.24Å; N132-W135 PolarHBondContact ND2-NE1 2.72Å; N132-W135 WeakPolarHBondContact O-CB 3.36Å; N132-W135 PolarHBondContact O-N 2.82Å; W135-F137 VanDerWaalsContact C-N 3.31Å; W135-F137 PolarHBondContact O-N 3.35Å; W135-Q138 PolarHBondContact O-N 2.84Å; W135-E139 WeakPolarHBondContact O-CG 3.46Å; W135-E139 PolarHBondContact O-N 3.07Å; W135-E139 VanDerWaalsContact O-N 3.11Å
136	T	95.4	Very high	94.3	Very high	4 Å²	4	40.5 Å²	40.5	3%	0.025	24%	0.24	C	C	.	.	H	α-helix	trans	-55.3	-48.2	172.8	-48.7	0	0	0	0	111.1	N129 N132 K133 F134 Q138 E139 L140 L275 A297	N129-T136 WeakPolarHBondContact O-CA 3.23Å; N129-T136 WeakPolarHBondContact O-CB 3.46Å; N129-T136 PolarHBondContact O-N 2.86Å; N129-T136 PolarHBondContact O-OG1 3.33Å; N132-T136 PolarHBondContact O-N 2.96Å; N132-T136 PolarHBondContact O-OG1 2.86Å; K133-T136 WeakPolarHBondContact O-CB 3.32Å; K133-T136 PolarHBondContact O-N 3.36Å; F134-T136 VanDerWaalsContact C-N 3.3Å; F134-T136 PolarHBondContact O-N 3.36Å; T136-Q138 PolarHBondContact O-N 3.22Å; T136-E139 PolarHBondContact O-N 2.91Å; T136-L140 HydrophobicContact CG2-CD1 3.99Å; T136-L140 VanDerWaalsContact O-CG 3.26Å; T136-L140 WeakPolarHBondContact O-CG 3.46Å; T136-L140 PolarHBondContact O-N 2.75Å; T136-L140 VanDerWaalsContact O-N 3.08Å; T136-L275 HydrophobicContact CG2-CD1 3.68Å; T136-L275 HydrophobicContact CG2-CD2 4.11Å; T136-A297 HydrophobicContact CG2-CB 3.92Å
137	F	96.6	Very high	94.4	Very high	11 Å²	11	42 Å²	42	5%	0.048	25%	0.248	C	C	.	.	H	α-helix	trans	-67.3	-33.1	179	-63.8	-22	0	0	0	113.5	K133 F134 W135 L140 A141 L147 T150 L210 C295	K133-F137 WeakPolarHBondContact O-CG 3.46Å; K133-F137 PolarHBondContact O-N 3.46Å; F134-F137 PolarHBondContact O-N 2.88Å; W135-F137 VanDerWaalsContact C-N 3.31Å; W135-F137 PolarHBondContact O-N 3.35Å; F137-L140 PolarHBondContact O-N 2.75Å; F137-A141 WeakPolarHBondContact O-CB 3.35Å; F137-A141 PolarHBondContact O-N 2.85Å; F137-L147 HydrophobicContact CB-CD1 4.14Å; F137-L147 HydrophobicContact CD1-CD1 4.38Å; F137-L147 HydrophobicContact CD1-CD2 3.64Å; F137-L147 HydrophobicContact CE1-CD2 3.92Å; F137-L147 HydrophobicContact CG-CD1 4.46Å; F137-L147 HydrophobicContact CG-CD2 4.4Å; F137-T150 HydrophobicContact CD2-CG2 3.86Å; F137-T150 HydrophobicContact CE2-CG2 4.04Å; F137-L210 HydrophobicContact CE2-CD2 4.42Å; F137-C295 VanDerWaalsContact CZ-O 3.31Å; F137-C295 WeakPolarHBondContact CZ-O 3.49Å
138	Q	95.1	Very high	94.6	Very high	111 Å²	111	41.9 Å²	41.9	52%	0.519	25%	0.247	S	C	.	.	H	α-helix	trans	-61.3	-45.7	173.7	-72.3	175.7	-61.1	0	0	111.6	F134 W135 T136 G142	F134-Q138 HydrophobicContact CD1-CG 4.02Å; F134-Q138 HydrophobicContact CE1-CG 3.93Å; F134-Q138 WeakPolarHBondContact O-CG 3.27Å; F134-Q138 PolarHBondContact O-N 2.93Å; W135-Q138 PolarHBondContact O-N 2.84Å; T136-Q138 PolarHBondContact O-N 3.22Å; Q138-G142 PolarHBondContact O-N 3.49Å
139	E	96.5	Very high	94.8	Very high	85 Å²	85	44.7 Å²	44.7	40%	0.397	26%	0.262	S	S	.	.	H	α-helix	trans	-63.2	-42.9	176.8	-64.7	-60.1	141.7	0	0	111.9	W135 T136 H143 L275	W135-E139 WeakPolarHBondContact O-CG 3.46Å; W135-E139 PolarHBondContact O-N 3.07Å; W135-E139 VanDerWaalsContact O-N 3.11Å; T136-E139 PolarHBondContact O-N 2.91Å; E139-H143 PolarHBondContact O-ND1 3.47Å; E139-L275 HydrophobicContact CB-CD2 3.86Å; E139-L275 HydrophobicContact CG-CD2 4.41Å
140	L	98.1	Very high	94.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-71.8	-42.9	-178.1	-67.7	178.4	0	0	0	112.8	T136 F137 G142 H143 V145 L147 V271 I274 L275 V294	T136-L140 HydrophobicContact CG2-CD1 3.99Å; T136-L140 VanDerWaalsContact O-CG 3.26Å; T136-L140 WeakPolarHBondContact O-CG 3.46Å; T136-L140 PolarHBondContact O-N 2.75Å; T136-L140 VanDerWaalsContact O-N 3.08Å; F137-L140 PolarHBondContact O-N 2.75Å; L140-G142 VanDerWaalsContact C-N 3.26Å; L140-G142 PolarHBondContact O-N 3.41Å; L140-H143 PolarHBondContact O-N 3.28Å; L140-V145 HydrophobicContact CB-CB 3.94Å; L140-V145 HydrophobicContact CB-CG1 4.13Å; L140-V145 HydrophobicContact CB-CG2 4.21Å; L140-V145 HydrophobicContact CD1-CG1 4.42Å; L140-V145 HydrophobicContact CD2-CG1 4.41Å; L140-V145 HydrophobicContact CD2-CG2 4.08Å; L140-V145 WeakPolarHBondContact O-CB 3.18Å; L140-V145 PolarHBondContact O-N 2.83Å; L140-L147 HydrophobicContact CB-CD1 4.02Å; L140-L147 HydrophobicContact CB-CD2 4.45Å; L140-L147 HydrophobicContact CD1-CD2 4.16Å; L140-V271 HydrophobicContact CD1-CG1 4.34Å; L140-V271 HydrophobicContact CD1-CG2 4.46Å; L140-V271 HydrophobicContact CD2-CB 4.24Å; L140-V271 HydrophobicContact CD2-CG1 4.08Å; L140-V271 HydrophobicContact CD2-CG2 4.04Å; L140-I274 HydrophobicContact CD2-CB 4.22Å; L140-I274 HydrophobicContact CD2-CD1 4.19Å; L140-I274 HydrophobicContact CD2-CG2 4.07Å; L140-L275 HydrophobicContact CD1-CD1 4.48Å; L140-L275 HydrophobicContact CD2-CD1 4.18Å; L140-L275 HydrophobicContact CD2-CD2 4.27Å; L140-L275 HydrophobicContact CD2-CG 4.02Å; L140-L275 HydrophobicContact CG-CD1 4.48Å; L140-L275 HydrophobicContact CG-CD2 4.36Å; L140-V294 HydrophobicContact CD1-CG1 4.07Å
141	A	96.3	Very high	94.8	Very high	59 Å²	59	48.9 Å²	48.9	49%	0.488	28%	0.279	S	S	.	.	H	α-helix	trans	-61.2	-35.6	179.8	0	0	0	0	0	111.9	F137 H143 G144 L147	F137-A141 WeakPolarHBondContact O-CB 3.35Å; F137-A141 PolarHBondContact O-N 2.85Å; A141-H143 PolarHBondContact O-N 2.96Å; A141-G144 PolarHBondContact O-N 2.95Å; A141-G144 VanDerWaalsContact O-N 3.14Å; A141-L147 HydrophobicContact CB-CD1 3.99Å
142	G	91.5	Very high	94.7	Very high	67 Å²	67	50.3 Å²	50.3	69%	0.691	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-14.2	175.5	0	0	0	0	0	114.7	Q138 L140	Q138-G142 PolarHBondContact O-N 3.49Å; L140-G142 VanDerWaalsContact C-N 3.26Å; L140-G142 PolarHBondContact O-N 3.41Å
143	H	96.9	Very high	94	Very high	112 Å²	112	52.9 Å²	52.9	52%	0.519	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	6	-179.4	-65.2	82.1	0	0	0	113.3	E139 L140 A141 V145 I274	E139-H143 PolarHBondContact O-ND1 3.47Å; L140-H143 PolarHBondContact O-N 3.28Å; A141-H143 PolarHBondContact O-N 2.96Å; H143-V145 VanDerWaalsContact C-N 3.33Å; H143-V145 HydrophobicContact CB-CG2 4.44Å; H143-I274 HydrophobicContact CB-CD1 3.53Å; H143-I274 HydrophobicContact CB-CG1 4.2Å
144	G	96.1	Very high	92.6	Very high	66 Å²	66	57.3 Å²	57.3	68%	0.68	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	18.1	179.6	0	0	0	0	0	114.6	A141	A141-G144 PolarHBondContact O-N 2.95Å; A141-G144 VanDerWaalsContact O-N 3.14Å
145	V	98.4	Very high	91.1	Very high	8 Å²	8	57.2 Å²	57.2	5%	0.048	35%	0.35	C	S	.	.			trans	-65.1	132.5	175.8	173.4	0	0	0	0	109.7	L140 H143 L147 L267 E270 V271 I274 V294	L140-V145 HydrophobicContact CB-CB 3.94Å; L140-V145 HydrophobicContact CB-CG1 4.13Å; L140-V145 HydrophobicContact CB-CG2 4.21Å; L140-V145 HydrophobicContact CD1-CG1 4.42Å; L140-V145 HydrophobicContact CD2-CG1 4.41Å; L140-V145 HydrophobicContact CD2-CG2 4.08Å; L140-V145 WeakPolarHBondContact O-CB 3.18Å; L140-V145 PolarHBondContact O-N 2.83Å; H143-V145 VanDerWaalsContact C-N 3.33Å; H143-V145 HydrophobicContact CB-CG2 4.44Å; V145-L147 HydrophobicContact CG1-CD2 4.4Å; V145-L147 HydrophobicContact CG1-CG 4.45Å; V145-L147 WeakPolarHBondContact O-CG 3.31Å; V145-L147 PolarHBondContact O-N 3.04Å; V145-L267 HydrophobicContact CG1-CD1 4.01Å; V145-E270 HydrophobicContact CG2-CG 4.43Å; V145-V271 HydrophobicContact CG1-CG2 4.09Å; V145-I274 HydrophobicContact CG2-CD1 3.52Å; V145-V294 HydrophobicContact CG1-CB 4.34Å; V145-V294 HydrophobicContact CG1-CG2 3.65Å
146	P	98	Very high	89.4	Confident	55 Å²	55	54.3 Å²	54.3	36%	0.357	35%	0.352	S	S	.	.			trans	-67.1	120.3	177.7	26.9	-35.4	0	0	0	111.1	L267 F292 V293 V294	P146-L267 HydrophobicContact CG-CD1 3.75Å; P146-L267 HydrophobicContact CG-CD2 4Å; P146-F292 WeakPolarHBondContact CG-O 3.34Å; P146-V293 HydrophobicContact CB-CG1 4.21Å; P146-V293 WeakPolarHBondContact O-CA 3.44Å; P146-V294 PolarHBondContact O-N 3.25Å
147	L	98	Very high	87.5	Confident	35 Å²	35	57.5 Å²	57.5	18%	0.183	37%	0.366	C	S	.	.			trans	-132.8	146.4	-177.6	-64	168.3	0	0	0	108.9	F137 L140 A141 V145 V294	F137-L147 HydrophobicContact CB-CD1 4.14Å; F137-L147 HydrophobicContact CD1-CD1 4.38Å; F137-L147 HydrophobicContact CD1-CD2 3.64Å; F137-L147 HydrophobicContact CE1-CD2 3.92Å; F137-L147 HydrophobicContact CG-CD1 4.46Å; F137-L147 HydrophobicContact CG-CD2 4.4Å; L140-L147 HydrophobicContact CB-CD1 4.02Å; L140-L147 HydrophobicContact CB-CD2 4.45Å; L140-L147 HydrophobicContact CD1-CD2 4.16Å; A141-L147 HydrophobicContact CB-CD1 3.99Å; V145-L147 HydrophobicContact CG1-CD2 4.4Å; V145-L147 HydrophobicContact CG1-CG 4.45Å; V145-L147 WeakPolarHBondContact O-CG 3.31Å; V145-L147 PolarHBondContact O-N 3.04Å; L147-V294 HydrophobicContact CD2-CB 3.81Å; L147-V294 HydrophobicContact CD2-CG1 4.43Å
148	P	96.9	Very high	85.8	Confident	3 Å²	3	64.3 Å²	64.3	2%	0.019	40%	0.404	C	S	.	.			trans	-64.8	145.2	165.7	-10.2	24.5	0	0	0	109.9	T150 Q212 E213 V215 V293 V294	P148-T150 PolarHBondContact O-N 2.98Å; P148-T150 PolarHBondContact O-OG1 3.32Å; P148-Q212 HydrophobicContact CB-CG 3.73Å; P148-Q212 HydrophobicContact CG-CG 4.27Å; P148-E213 HydrophobicContact CB-CB 4.12Å; P148-V215 HydrophobicContact CB-CG2 4.14Å; P148-V215 HydrophobicContact CG-CG2 3.98Å; P148-V293 HydrophobicContact CG-CB 4.36Å; P148-V293 HydrophobicContact CG-CG2 3.86Å; P148-V294 WeakPolarHBondContact CD-O 3.05Å
149	D	96.1	Very high	84.3	Confident	100 Å²	100	61.1 Å²	61.1	54%	0.535	39%	0.39	S	S	.	.			trans	-55.8	128.1	178.8	-80.1	-16.8	0	0	0	110	L170 Q212 E213	D149-L170 HydrophobicContact CB-CD2 3.53Å; D149-L170 VanDerWaalsContact O-CD2 3.31Å; D149-L170 WeakPolarHBondContact O-CD2 3.26Å; D149-Q212 CarbonylContact O-C 3.59Å; D149-Q212 WeakPolarHBondContact O-CA 3.16Å; D149-E213 HydrophobicContact CB-CB 4.18Å; D149-E213 PolarHBondContact N-OE2 2.87Å; D149-E213 PolarHBondContact O-N 3.08Å
150	T	94.8	Very high	83.1	Confident	30 Å²	30	57.6 Å²	57.6	18%	0.184	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	127.9	-169.9	-55.4	0	0	0	0	112	F134 F137 P148 L210 F211 Q212	F134-T150 HydrophobicContact CD2-CG2 4Å; F134-T150 HydrophobicContact CE2-CG2 4.05Å; F137-T150 HydrophobicContact CD2-CG2 3.86Å; F137-T150 HydrophobicContact CE2-CG2 4.04Å; P148-T150 PolarHBondContact O-N 2.98Å; P148-T150 PolarHBondContact O-OG1 3.32Å; T150-L210 HydrophobicContact CG2-CB 4.03Å; T150-L210 HydrophobicContact CG2-CD1 3.88Å; T150-L210 HydrophobicContact CG2-CD2 4.44Å; T150-L210 HydrophobicContact CG2-CG 4.33Å; T150-F211 CarbonylContact C-O 3.57Å; T150-F211 WeakPolarHBondContact CA-O 3.48Å; T150-Q212 HydrophobicContact CG2-CB 4.32Å; T150-Q212 WeakPolarHBondContact OG1-CG 3.26Å; T150-Q212 PolarHBondContact OG1-NE2 2.94Å
151	Y	91.3	Very high	81.9	Confident	90 Å²	90	67.2 Å²	67.2	35%	0.353	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	140.7	-175.9	-70.6	48.4	0	0	0	107.9	E166 L170 L210 F211	Y151-E166 WeakPolarHBondContact CE2-O 3.24Å; Y151-L170 HydrophobicContact CD1-CD1 3.81Å; Y151-L170 HydrophobicContact CD1-CD2 3.5Å; Y151-L170 VanDerWaalsContact CD1-CD2 3.5Å; Y151-L170 HydrophobicContact CD1-CG 3.69Å; Y151-L170 HydrophobicContact CE1-CD1 4.42Å; Y151-L170 HydrophobicContact CE1-CD2 3.43Å; Y151-L170 VanDerWaalsContact CE1-CD2 3.43Å; Y151-L170 HydrophobicContact CE1-CG 3.8Å; Y151-L170 HydrophobicContact CG-CD1 4.07Å; Y151-L170 HydrophobicContact CG-CG 4.26Å; Y151-L210 CarbonylContact O-C 3.41Å; Y151-L210 VanDerWaalsContact O-CA 3.26Å; Y151-L210 WeakPolarHBondContact O-CA 3.47Å; Y151-F211 PolarHBondContact N-O 2.91Å; Y151-F211 PolarHBondContact O-N 3.49Å
152	S	86.7	Confident	80.9	Confident	45 Å²	45	69.2 Å²	69.2	32%	0.315	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	139.3	176.2	178	0	0	0	0	108.5
153	Y	74.3	Confident	80.1	Confident	66 Å²	66	66.8 Å²	66.8	26%	0.259	38%	0.378	S	S	.	.			trans	-114.4	130.5	-176	-168.7	-98.3	0	0	0	110.7	G155 N159	Y153-G155 VanDerWaalsContact CE1-N 3.28Å; Y153-N159 HydrophobicContact CE1-CB 3.79Å
154	A	63.8	Low	79.3	Confident	110 Å²	110	61.8 Å²	61.8	91%	0.909	36%	0.355	S	S	*	.			trans	-92.5	-7.2	-175.1	0	0	0	0	0	114.2	G156	A154-G156 VanDerWaalsContact C-N 3.35Å; A154-G156 PolarHBondContact O-N 3Å
155	G	59.6	Low	78.7	Confident	42 Å²	42	62.3 Å²	62.3	43%	0.433	34%	0.342	S	S	.	.	S	Bend	trans	-89.1	21.9	-169.2	0	0	0	0	0	116.4	Y153	Y153-G155 VanDerWaalsContact CE1-N 3.28Å
156	G	57.2	Low	78	Confident	42 Å²	42	66.7 Å²	66.7	43%	0.433	36%	0.362	S	S	.	.			trans	66.3	-167.4	175.7	0	0	0	0	0	115.3	A154 D158	A154-G156 VanDerWaalsContact C-N 3.35Å; A154-G156 PolarHBondContact O-N 3Å; G156-D158 PolarHBondContact O-N 3.42Å
157	H	55.4	Low	77.3	Confident	70 Å²	70	64.2 Å²	64.2	32%	0.324	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-67.9	-31.8	-170.4	-66.2	-44.4	0	0	0	115.8	N159 F160 H205	H157-N159 PolarHBondContact O-N 2.97Å; H157-F160 PolarHBondContact O-N 3.29Å; H157-F160 VanDerWaalsContact O-N 3.11Å; H157-H205 HydrophobicContact CB-CB 4.25Å; H157-H205 WeakPolarHBondContact CE1-CA 3.44Å; H157-H205 PolarHBondContact CE1-O 2.93Å; H157-H205 AromaticContact CG-CG 3.57Å; H157-H205 AromaticContact CG-ND1 3.96Å; H157-H205 WeakPolarHBondContact ND1-CA 3.32Å; H157-H205 WeakPolarHBondContact ND1-CB 3.4Å; H157-H205 AromaticContact ND1-CG 3.19Å; H157-H205 AromaticContact ND1-ND1 3.18Å; H157-H205 PolarHBondContact ND1-ND1 3.44Å; H157-H205 VanDerWaalsContact ND1-ND1 3.18Å; H157-H205 PolarHBondContact ND1-O 3.12Å; H157-H205 PolarHBondContact NE2-O 2.86Å
158	D	60.2	Low	76.7	Confident	155 Å²	155	67.6 Å²	67.6	83%	0.829	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-66.9	-10.1	-167.8	-51.7	-32.4	0	0	0	112	G156	G156-D158 PolarHBondContact O-N 3.42Å
159	N	64.5	Low	76.5	Confident	44 Å²	44	72 Å²	72	24%	0.235	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-126.5	24.5	178.1	-87.2	-40.6	0	0	0	115.1	Y153 H157 R161 K162 M163	Y153-N159 HydrophobicContact CE1-CB 3.79Å; H157-N159 PolarHBondContact O-N 2.97Å; N159-R161 PolarHBondContact O-N 3.29Å; N159-R161 VanDerWaalsContact O-N 3.13Å; N159-K162 HydrophobicContact CB-CB 4.13Å; N159-K162 HydrophobicContact CB-CD 4.03Å; N159-K162 HydrophobicContact CB-CG 4.14Å; N159-K162 VanDerWaalsContact CG-CD 3.4Å; N159-K162 PolarHBondContact ND2-NZ 3.12Å; N159-K162 VanDerWaalsContact ND2-NZ 3.17Å; N159-K162 WeakPolarHBondContact O-CA 3.37Å; N159-K162 WeakPolarHBondContact O-CB 3.2Å; N159-K162 PolarHBondContact O-N 3.35Å; N159-K162 WeakPolarHBondContact OD1-CD 3.34Å; N159-K162 WeakPolarHBondContact OD1-CE 3.47Å; N159-K162 WeakPolarHBondContact OD1-CG 3.41Å; N159-K162 PolarHBondContact OD1-NZ 2.95Å; N159-M163 PolarHBondContact O-N 3.32Å; N159-M163 VanDerWaalsContact O-N 3.08Å
160	F	70.1	Confident	76.3	Confident	11 Å²	11	68 Å²	68	5%	0.048	37%	0.369	C	S	.	.	H	α-helix	trans	-55.4	-33.9	174	-157.7	-74.8	0	0	0	112.2	H157 K162 M163 I164 C200 I203 F211	H157-F160 PolarHBondContact O-N 3.29Å; H157-F160 VanDerWaalsContact O-N 3.11Å; F160-K162 PolarHBondContact O-N 3.39Å; F160-M163 HydrophobicContact CB-CE 4.33Å; F160-M163 HydrophobicContact CD1-CE 3.74Å; F160-M163 HydrophobicContact CD2-CE 3.1Å; F160-M163 HydrophobicContact CE1-CE 3.72Å; F160-M163 HydrophobicContact CE2-CE 3.03Å; F160-M163 HydrophobicContact CG-CE 3.46Å; F160-M163 VanDerWaalsContact CG-CE 3.46Å; F160-M163 HydrophobicContact CZ-CE 3.38Å; F160-M163 WeakPolarHBondContact O-CB 3.43Å; F160-M163 PolarHBondContact O-N 2.99Å; F160-M163 VanDerWaalsContact O-N 3.14Å; F160-I164 HydrophobicContact CD1-CD1 4.01Å; F160-I164 HydrophobicContact CD1-CG1 3.99Å; F160-I164 HydrophobicContact CE1-CD1 4.24Å; F160-I164 HydrophobicContact CE1-CG1 4.07Å; F160-I164 WeakPolarHBondContact O-CG1 3.46Å; F160-I164 PolarHBondContact O-N 2.7Å; F160-C200 HydrophobicContact CD1-CB 3.4Å; F160-C200 VanDerWaalsContact CD1-CB 3.4Å; F160-C200 WeakPolarHBondContact CD1-SG 3.48Å; F160-C200 HydrophobicContact CE1-CB 3.42Å; F160-C200 VanDerWaalsContact CE1-CB 3.42Å; F160-C200 HydrophobicContact CG-CB 4.2Å; F160-C200 WeakPolarHBondContact CG-SG 3.16Å; F160-C200 HydrophobicContact CZ-CB 4.24Å; F160-I203 HydrophobicContact CE2-CD1 3.49Å; F160-I203 VanDerWaalsContact CE2-CD1 3.49Å; F160-I203 HydrophobicContact CE2-CG1 4.36Å; F160-I203 HydrophobicContact CZ-CD1 3.43Å; F160-I203 VanDerWaalsContact CZ-CD1 3.43Å; F160-I203 HydrophobicContact CZ-CG1 4.42Å; F160-F211 AromaticContact CE1-CZ 3.99Å; F160-F211 HydrophobicContact CE1-CZ 3.99Å; F160-F211 HydrophobicContact CE2-CZ 4.36Å; F160-F211 HydrophobicContact CZ-CE2 4.49Å; F160-F211 AromaticContact CZ-CZ 3.64Å; F160-F211 HydrophobicContact CZ-CZ 3.64Å
161	R	73.7	Confident	76.3	Confident	201 Å²	201	68.1 Å²	68.1	76%	0.758	38%	0.375	S	S	*	.	H	α-helix	trans	-60.6	-42	172.5	-174.3	167.6	-179.2	162.3	0.4	113	N159 M163 I164 D165	N159-R161 PolarHBondContact O-N 3.29Å; N159-R161 VanDerWaalsContact O-N 3.13Å; R161-M163 VanDerWaalsContact C-N 3.26Å; R161-M163 PolarHBondContact O-N 3.36Å; R161-I164 WeakPolarHBondContact O-CB 3.46Å; R161-I164 PolarHBondContact O-N 2.95Å; R161-D165 PolarHBondContact O-N 2.94Å
162	K	75.6	Confident	76.4	Confident	101 Å²	101	67.4 Å²	67.4	44%	0.439	37%	0.372	S	S	.	.	H	α-helix	trans	-62.5	-38.3	173.5	-67	-171.3	-174.7	160.3	0	111.3	N159 F160 I164 D165 E166	N159-K162 HydrophobicContact CB-CB 4.13Å; N159-K162 HydrophobicContact CB-CD 4.03Å; N159-K162 HydrophobicContact CB-CG 4.14Å; N159-K162 VanDerWaalsContact CG-CD 3.4Å; N159-K162 PolarHBondContact ND2-NZ 3.12Å; N159-K162 VanDerWaalsContact ND2-NZ 3.17Å; N159-K162 WeakPolarHBondContact O-CA 3.37Å; N159-K162 WeakPolarHBondContact O-CB 3.2Å; N159-K162 PolarHBondContact O-N 3.35Å; N159-K162 WeakPolarHBondContact OD1-CD 3.34Å; N159-K162 WeakPolarHBondContact OD1-CE 3.47Å; N159-K162 WeakPolarHBondContact OD1-CG 3.41Å; N159-K162 PolarHBondContact OD1-NZ 2.95Å; F160-K162 PolarHBondContact O-N 3.39Å; K162-I164 VanDerWaalsContact C-N 3.3Å; K162-I164 PolarHBondContact O-N 2.93Å; K162-D165 PolarHBondContact O-N 2.87Å; K162-D165 VanDerWaalsContact O-N 3.15Å; K162-E166 WeakPolarHBondContact O-CB 3.32Å; K162-E166 WeakPolarHBondContact O-CG 3.49Å; K162-E166 PolarHBondContact O-N 3.32Å
163	M	75.2	Confident	76.9	Confident	17 Å²	17	67.3 Å²	67.3	8%	0.084	37%	0.37	C	S	.	.	H	α-helix	trans	-65	-33.4	177.5	-174.1	173.2	59.4	0	0	112.8	N159 F160 R161 A167 F211	N159-M163 PolarHBondContact O-N 3.32Å; N159-M163 VanDerWaalsContact O-N 3.08Å; F160-M163 HydrophobicContact CB-CE 4.33Å; F160-M163 HydrophobicContact CD1-CE 3.74Å; F160-M163 HydrophobicContact CD2-CE 3.1Å; F160-M163 HydrophobicContact CE1-CE 3.72Å; F160-M163 HydrophobicContact CE2-CE 3.03Å; F160-M163 HydrophobicContact CG-CE 3.46Å; F160-M163 VanDerWaalsContact CG-CE 3.46Å; F160-M163 HydrophobicContact CZ-CE 3.38Å; F160-M163 WeakPolarHBondContact O-CB 3.43Å; F160-M163 PolarHBondContact O-N 2.99Å; F160-M163 VanDerWaalsContact O-N 3.14Å; R161-M163 VanDerWaalsContact C-N 3.26Å; R161-M163 PolarHBondContact O-N 3.36Å; M163-A167 WeakPolarHBondContact O-CB 3.38Å; M163-A167 PolarHBondContact O-N 2.87Å; M163-F211 HydrophobicContact CE-CD2 4.41Å; M163-F211 HydrophobicContact CE-CE2 3.25Å; M163-F211 HydrophobicContact CE-CZ 3.33Å; M163-F211 HydrophobicContact CG-CD2 3.88Å; M163-F211 HydrophobicContact CG-CE2 3.53Å; M163-F211 HydrophobicContact CG-CZ 3.93Å; M163-F211 HydrophobicContact SD-CD2 3.8Å; M163-F211 HydrophobicContact SD-CE2 3.12Å; M163-F211 WeakPolarHBondContact SD-CE2 3.21Å; M163-F211 HydrophobicContact SD-CZ 3.81Å
164	I	80.1	Confident	77.9	Confident	7 Å²	7	64.2 Å²	64.2	4%	0.036	36%	0.358	C	S	.	.	H	α-helix	trans	-62.5	-45.6	171.4	-67.6	173.5	0	0	0	110.6	F160 R161 K162 A167 K193 L196 T197 C200	F160-I164 HydrophobicContact CD1-CD1 4.01Å; F160-I164 HydrophobicContact CD1-CG1 3.99Å; F160-I164 HydrophobicContact CE1-CD1 4.24Å; F160-I164 HydrophobicContact CE1-CG1 4.07Å; F160-I164 WeakPolarHBondContact O-CG1 3.46Å; F160-I164 PolarHBondContact O-N 2.7Å; R161-I164 WeakPolarHBondContact O-CB 3.46Å; R161-I164 PolarHBondContact O-N 2.95Å; K162-I164 VanDerWaalsContact C-N 3.3Å; K162-I164 PolarHBondContact O-N 2.93Å; I164-A167 PolarHBondContact O-N 3.07Å; I164-K193 HydrophobicContact CG2-CG 3.93Å; I164-L196 HydrophobicContact CB-CD2 4.35Å; I164-L196 HydrophobicContact CG1-CD2 4.09Å; I164-L196 HydrophobicContact CG1-CG 4.06Å; I164-L196 HydrophobicContact CG2-CD2 4.11Å; I164-T197 HydrophobicContact CD1-CG2 4.48Å; I164-C200 HydrophobicContact CD1-CB 4.26Å
165	D	83.3	Confident	79.3	Confident	76 Å²	76	59.1 Å²	59.1	41%	0.406	32%	0.316	S	S	.	.	H	α-helix	trans	-68.8	-38.9	179.7	-66.2	-36	0	0	0	111.7	R161 K162 A167 E168 K193	R161-D165 PolarHBondContact O-N 2.94Å; K162-D165 PolarHBondContact O-N 2.87Å; K162-D165 VanDerWaalsContact O-N 3.15Å; D165-A167 VanDerWaalsContact C-N 3.32Å; D165-A167 PolarHBondContact O-N 3.49Å; D165-E168 VanDerWaalsContact O-CB 3.25Å; D165-E168 WeakPolarHBondContact O-CB 3.23Å; D165-E168 PolarHBondContact O-N 3.12Å; D165-K193 VanDerWaalsContact OD1-CE 3.24Å; D165-K193 WeakPolarHBondContact OD1-CE 3.5Å; D165-K193 IonicContact OD1-NZ 3.62Å; D165-K193 PolarHBondContact OD1-NZ 2.9Å
166	E	83	Confident	80.9	Confident	101 Å²	101	57.1 Å²	57.1	47%	0.472	30%	0.296	S	S	.	.	H	α-helix	trans	-73	-21.4	177.2	-73.3	179.5	-166.6	0	0	113.5	Y151 K162 E168 P169	Y151-E166 WeakPolarHBondContact CE2-O 3.24Å; K162-E166 WeakPolarHBondContact O-CB 3.32Å; K162-E166 WeakPolarHBondContact O-CG 3.49Å; K162-E166 PolarHBondContact O-N 3.32Å; E166-E168 VanDerWaalsContact C-N 3.3Å; E166-P169 WeakPolarHBondContact O-CD 3.47Å
167	A	83	Confident	82.5	Confident	2 Å²	2	55.7 Å²	55.7	2%	0.017	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-8.1	175.2	0	0	0	0	0	113	M163 I164 D165 P169 L170 F211	M163-A167 WeakPolarHBondContact O-CB 3.38Å; M163-A167 PolarHBondContact O-N 2.87Å; I164-A167 PolarHBondContact O-N 3.07Å; D165-A167 VanDerWaalsContact C-N 3.32Å; D165-A167 PolarHBondContact O-N 3.49Å; A167-P169 VanDerWaalsContact C-N 3.33Å; A167-L170 HydrophobicContact CB-CD1 4.41Å; A167-L170 VanDerWaalsContact O-CB 3.31Å; A167-L170 WeakPolarHBondContact O-CB 3.28Å; A167-L170 PolarHBondContact O-N 3.11Å; A167-F211 HydrophobicContact CB-CB 4.19Å; A167-F211 HydrophobicContact CB-CD1 3.92Å; A167-F211 HydrophobicContact CB-CG 4.13Å
168	E	86.5	Confident	84	Confident	106 Å²	106	53.1 Å²	53.1	50%	0.495	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-54.5	-37.1	-179.7	-164.9	164.4	162.2	0	0	114.3	D165 E166 L170 G171 K193	D165-E168 VanDerWaalsContact O-CB 3.25Å; D165-E168 WeakPolarHBondContact O-CB 3.23Å; D165-E168 PolarHBondContact O-N 3.12Å; E166-E168 VanDerWaalsContact C-N 3.3Å; E168-L170 PolarHBondContact O-N 3.07Å; E168-G171 PolarHBondContact O-N 2.9Å; E168-K193 IonicContact OE2-NZ 3.5Å; E168-K193 PolarHBondContact OE2-NZ 3.17Å
169	P	91.9	Very high	85.3	Confident	95 Å²	95	45.8 Å²	45.8	62%	0.617	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-62.1	-22.6	174.9	-23.9	36	0	0	0	115.3	E166 A167 G171	E166-P169 WeakPolarHBondContact O-CD 3.47Å; A167-P169 VanDerWaalsContact C-N 3.33Å; P169-G171 PolarHBondContact O-N 3.46Å
170	L	93.2	Very high	86.2	Confident	18 Å²	18	49.3 Å²	49.3	9%	0.094	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-67.7	-18.7	174.2	-68.8	173.3	0	0	0	112.4	D149 Y151 A167 E168 V174 F211 E213	D149-L170 HydrophobicContact CB-CD2 3.53Å; D149-L170 VanDerWaalsContact O-CD2 3.31Å; D149-L170 WeakPolarHBondContact O-CD2 3.26Å; Y151-L170 HydrophobicContact CD1-CD1 3.81Å; Y151-L170 HydrophobicContact CD1-CD2 3.5Å; Y151-L170 VanDerWaalsContact CD1-CD2 3.5Å; Y151-L170 HydrophobicContact CD1-CG 3.69Å; Y151-L170 HydrophobicContact CE1-CD1 4.42Å; Y151-L170 HydrophobicContact CE1-CD2 3.43Å; Y151-L170 VanDerWaalsContact CE1-CD2 3.43Å; Y151-L170 HydrophobicContact CE1-CG 3.8Å; Y151-L170 HydrophobicContact CG-CD1 4.07Å; Y151-L170 HydrophobicContact CG-CG 4.26Å; A167-L170 HydrophobicContact CB-CD1 4.41Å; A167-L170 VanDerWaalsContact O-CB 3.31Å; A167-L170 WeakPolarHBondContact O-CB 3.28Å; A167-L170 PolarHBondContact O-N 3.11Å; E168-L170 PolarHBondContact O-N 3.07Å; L170-V174 HydrophobicContact CB-CG2 4.29Å; L170-V174 HydrophobicContact CD1-CG2 3.86Å; L170-F211 HydrophobicContact CD1-CB 3.71Å; L170-F211 WeakPolarHBondContact CD1-O 3.33Å; L170-E213 HydrophobicContact CD2-CB 4.32Å
171	G	93.5	Very high	86.3	Confident	31 Å²	31	49.7 Å²	49.7	32%	0.32	24%	0.244	S	C	.	.			trans	71	176.5	-171.9	0	0	0	0	0	113.1	E168 P169	E168-G171 PolarHBondContact O-N 2.9Å; P169-G171 PolarHBondContact O-N 3.46Å
172	Y	94.3	Very high	85.9	Confident	76 Å²	76	41.7 Å²	41.7	30%	0.298	22%	0.215	S	C	.	.	S	Bend	trans	-118.1	147	177.1	-67.9	-77.1	0	0	0	111.2	V174 R191 D192 K193 L196	Y172-V174 HydrophobicContact CD1-CB 4.39Å; Y172-V174 HydrophobicContact CD1-CG1 3.94Å; Y172-V174 HydrophobicContact CE1-CG1 3.8Å; Y172-R191 WeakPolarHBondContact CB-O 3.25Å; Y172-D192 VanDerWaalsContact CD1-C 3.47Å; Y172-D192 VanDerWaalsContact CD1-CA 3.44Å; Y172-D192 WeakPolarHBondContact CE1-O 3.41Å; Y172-K193 HydrophobicContact CE2-CB 3.95Å; Y172-K193 VanDerWaalsContact CZ-CA 3.48Å; Y172-K193 VanDerWaalsContact OH-CA 3.31Å; Y172-K193 WeakPolarHBondContact OH-CA 3.41Å; Y172-K193 WeakPolarHBondContact OH-CB 3.45Å; Y172-L196 HydrophobicContact CE1-CB 4.36Å; Y172-L196 HydrophobicContact CE1-CD2 4.14Å
173	P	95.6	Very high	85.2	Confident	42 Å²	42	42.7 Å²	42.7	27%	0.273	22%	0.216	S	C	.	.	S	Bend	cis	-72.3	156.7	0	35.8	-40.8	0	0	0	112.3	L189 A190 Y214	P173-L189 HydrophobicContact CB-CD1 3.79Å; P173-L189 HydrophobicContact CB-CG 4.1Å; P173-L189 HydrophobicContact CG-CD1 4.19Å; P173-A190 CarbonylContact C-O 3.55Å; P173-A190 WeakPolarHBondContact CA-O 3.19Å; P173-A190 WeakPolarHBondContact CB-O 3.45Å; P173-Y214 HydrophobicContact CB-CD1 4.39Å; P173-Y214 HydrophobicContact CG-CD1 3.2Å; P173-Y214 HydrophobicContact CG-CE1 3.83Å; P173-Y214 HydrophobicContact CG-CG 3.78Å; P173-Y214 WeakPolarHBondContact O-CB 3.36Å
174	V	95.3	Very high	84.3	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	142.1	-179.9	67.3	0	0	0	0	110.8	L170 Y172 A190 L196 F211 Q212	L170-V174 HydrophobicContact CB-CG2 4.29Å; L170-V174 HydrophobicContact CD1-CG2 3.86Å; Y172-V174 HydrophobicContact CD1-CB 4.39Å; Y172-V174 HydrophobicContact CD1-CG1 3.94Å; Y172-V174 HydrophobicContact CE1-CG1 3.8Å; V174-A190 HydrophobicContact CG1-CB 3.92Å; V174-A190 PolarHBondContact N-O 3.46Å; V174-A190 PolarHBondContact O-N 3.11Å; V174-L196 HydrophobicContact CG1-CD1 4.19Å; V174-L196 HydrophobicContact CG1-CD2 4.07Å; V174-F211 HydrophobicContact CG2-CB 4.16Å; V174-F211 HydrophobicContact CG2-CD1 4.5Å; V174-Q212 WeakPolarHBondContact CG2-O 3.25Å
175	V	94.9	Very high	83.7	Confident	4 Å²	4	49 Å²	49	2%	0.024	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	125.8	177.7	-176.9	0	0	0	0	110.1	K177 V187 F188 L189 F211 Q212 Y214 M245	V175-K177 HydrophobicContact CG1-CD 4.21Å; V175-K177 VanDerWaalsContact CG1-CE 3.45Å; V175-K177 HydrophobicContact CG1-CG 3.72Å; V175-V187 HydrophobicContact CG1-CG1 3.98Å; V175-F188 CarbonylContact C-O 3.52Å; V175-F188 WeakPolarHBondContact CA-O 3.44Å; V175-L189 HydrophobicContact CG2-CD1 4.05Å; V175-F211 CarbonylContact O-C 3.49Å; V175-F211 WeakPolarHBondContact O-CA 3.4Å; V175-Q212 HydrophobicContact CB-CB 4.33Å; V175-Q212 PolarHBondContact N-O 2.88Å; V175-Q212 PolarHBondContact O-N 3.24Å; V175-Y214 HydrophobicContact CG2-CD2 3.66Å; V175-Y214 HydrophobicContact CG2-CG 4.36Å; V175-M245 HydrophobicContact CG1-CE 3.86Å; V175-M245 HydrophobicContact CG2-CE 4.07Å; V175-M245 HydrophobicContact CG2-SD 3.68Å
176	V	92.2	Very high	83.4	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119.6	175.2	-176	0	0	0	0	108.8	V187 F188 L196 L199 Y209 L210 F211	V176-V187 CarbonylContact O-C 3.54Å; V176-V187 WeakPolarHBondContact O-CA 2.96Å; V176-F188 HydrophobicContact CB-CB 4.4Å; V176-F188 PolarHBondContact N-O 3.48Å; V176-F188 PolarHBondContact O-N 3.2Å; V176-L196 HydrophobicContact CG2-CD1 3.37Å; V176-L199 HydrophobicContact CB-CD2 3.85Å; V176-L199 HydrophobicContact CG1-CD2 4.09Å; V176-L199 HydrophobicContact CG2-CD2 3.82Å; V176-Y209 HydrophobicContact CG1-CD1 3.85Å; V176-L210 WeakPolarHBondContact CA-O 3.48Å; V176-F211 HydrophobicContact CG1-CE1 4.43Å; V176-F211 HydrophobicContact CG1-CZ 4.25Å; V176-F211 HydrophobicContact CG2-CD1 3.9Å; V176-F211 HydrophobicContact CG2-CE1 3.8Å; V176-F211 HydrophobicContact CG2-CZ 4.43Å
177	K	90.5	Very high	83.6	Confident	12 Å²	12	43.1 Å²	43.1	5%	0.052	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	138.3	-179.8	-45.3	-171.4	-170.9	170.8	0	110.7	K133 V175 A179 V187 Y209 L210 Q212 C295	K133-K177 HydrophobicContact CD-CD 4.46Å; V175-K177 HydrophobicContact CG1-CD 4.21Å; V175-K177 VanDerWaalsContact CG1-CE 3.45Å; V175-K177 HydrophobicContact CG1-CG 3.72Å; K177-A179 PolarHBondContact O-N 3.4Å; K177-V187 HydrophobicContact CB-CG2 4.34Å; K177-V187 HydrophobicContact CD-CG2 4.49Å; K177-V187 HydrophobicContact CG-CG1 4.18Å; K177-V187 HydrophobicContact CG-CG2 4.2Å; K177-Y209 CarbonylContact O-C 3.51Å; K177-Y209 WeakPolarHBondContact O-CA 3.27Å; K177-Y209 WeakPolarHBondContact O-CD1 3.44Å; K177-L210 HydrophobicContact CB-CD1 3.76Å; K177-L210 HydrophobicContact CB-CG 3.98Å; K177-L210 HydrophobicContact CD-CD1 4Å; K177-L210 HydrophobicContact CG-CD1 3.8Å; K177-L210 PolarHBondContact N-O 2.9Å; K177-L210 PolarHBondContact O-N 3.39Å; K177-Q212 VanDerWaalsContact CE-OE1 3.28Å; K177-C295 PolarHBondContact NZ-SG 3.11Å; K177-C295 VanDerWaalsContact NZ-SG 3.41Å
178	N	88.4	Confident	84	Confident	16 Å²	16	46.5 Å²	46.5	9%	0.086	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	127.6	161.8	-168.6	-40.5	0	0	0	109.3	K133 R180 A186 T207 P208 Y209	K133-N178 PolarHBondContact NZ-O 3.04Å; K133-N178 VanDerWaalsContact NZ-O 3.09Å; N178-R180 VanDerWaalsContact C-N 3.27Å; N178-R180 PolarHBondContact O-N 3.14Å; N178-R180 PolarHBondContact OD1-N 3.43Å; N178-R180 PolarHBondContact OD1-O 2.66Å; N178-A186 HydrophobicContact CB-CB 3.92Å; N178-A186 PolarHBondContact N-O 3.39Å; N178-T207 PolarHBondContact ND2-OG1 2.63Å; N178-P208 PolarHBondContact OD1-O 3.24Å; N178-Y209 HydrophobicContact CB-CD1 4.33Å; N178-Y209 HydrophobicContact CB-CE1 3.93Å
179	A	87.3	Confident	84.4	Confident	1 Å²	1	44 Å²	44	1%	0.008	23%	0.229	C	C	.	.	S	Bend	trans	-65.3	-31.9	-177.9	0	0	0	0	0	111.8	N132 K133 K177 P208	N132-A179 WeakPolarHBondContact CA-O 3.49Å; N132-A179 WeakPolarHBondContact OD1-CB 3.17Å; K133-A179 PolarHBondContact N-O 3.25Å; K177-A179 PolarHBondContact O-N 3.4Å; A179-P208 HydrophobicContact CB-CB 4.09Å; A179-P208 HydrophobicContact CB-CG 4.03Å; A179-P208 WeakPolarHBondContact CB-O 3.24Å; A179-P208 PolarHBondContact N-O 3.34Å
180	R	83.6	Confident	84.5	Confident	117 Å²	117	39.7 Å²	39.7	44%	0.442	20%	0.201	S	C	.	.	S	Bend	trans	-114.8	86.5	174.8	-65.3	-174.1	179.4	163	-0.1	110.3	N132 N178	N132-R180 HydrophobicContact CB-CG 4.36Å; N178-R180 VanDerWaalsContact C-N 3.27Å; N178-R180 PolarHBondContact O-N 3.14Å; N178-R180 PolarHBondContact OD1-N 3.43Å; N178-R180 PolarHBondContact OD1-O 2.66Å
181	G	71.4	Confident	84.5	Confident	19 Å²	19	47.3 Å²	47.3	20%	0.196	23%	0.229	C	C	.	.			trans	-162.7	167.8	-177.8	0	0	0	0	0	112.4	K133	K133-G181 PolarHBondContact NZ-O 2.87Å
182	H	66.2	Low	84.6	Confident	34 Å²	34	48.3 Å²	48.3	16%	0.157	23%	0.227	C	C	.	.			trans	-147.2	167.2	-179	65.2	-57.2	0	0	0	112.4	P99 W100 G184 K185	P99-H182 HydrophobicContact CG-CB 3.48Å; P99-H182 VanDerWaalsContact CG-CB 3.48Å; P99-H182 WeakPolarHBondContact CG-ND1 3.44Å; W100-H182 AromaticContact CH2-CE1 3.48Å; W100-H182 VanDerWaalsContact CH2-CE1 3.48Å; W100-H182 WeakPolarHBondContact CH2-CE1 3.47Å; W100-H182 AromaticContact CH2-NE2 3.77Å; W100-H182 AromaticContact CZ2-CE1 3.41Å; W100-H182 VanDerWaalsContact CZ2-CE1 3.41Å; W100-H182 WeakPolarHBondContact CZ2-CE1 3.07Å; H182-G184 VanDerWaalsContact C-N 3.28Å; H182-G184 PolarHBondContact O-N 3.37Å; H182-K185 PolarHBondContact O-N 3.22Å
183	R	59.2	Low	84.5	Confident	121 Å²	121	48 Å²	48	46%	0.457	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	33.1	173.7	-65.6	175	-178.2	-179.1	7.2	113.8	E38 K185	E38-R183 IonicContact OE2-NH2 3.87Å; E38-R183 PolarHBondContact OE2-NH2 3.02Å; R183-K185 PolarHBondContact O-N 2.99Å; R183-K185 VanDerWaalsContact O-N 3.1Å
184	G	56.1	Low	84.2	Confident	17 Å²	17	53 Å²	53	18%	0.175	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	4.5	179.1	0	0	0	0	0	115.1	H182	H182-G184 VanDerWaalsContact C-N 3.28Å; H182-G184 PolarHBondContact O-N 3.37Å
185	K	67.6	Low	84.1	Confident	139 Å²	139	56.9 Å²	56.9	60%	0.604	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	133	173.6	-64.4	-176.8	178.1	-178	0	109.1	H182 R183	H182-K185 PolarHBondContact O-N 3.22Å; R183-K185 PolarHBondContact O-N 2.99Å; R183-K185 VanDerWaalsContact O-N 3.1Å
186	A	77.9	Confident	83.9	Confident	32 Å²	32	56.7 Å²	56.7	26%	0.264	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	42.5	-176.4	0	0	0	0	0	114.4	N178 F188	N178-A186 HydrophobicContact CB-CB 3.92Å; N178-A186 PolarHBondContact N-O 3.39Å; A186-F188 HydrophobicContact CB-CE2 4.05Å; A186-F188 HydrophobicContact CB-CZ 4.42Å
187	V	87.8	Confident	83.8	Confident	23 Å²	23	59.1 Å²	59.1	14%	0.139	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	123	164.6	177.7	0	0	0	0	107.8	V175 V176 K177 M245 Q246	V175-V187 HydrophobicContact CG1-CG1 3.98Å; V176-V187 CarbonylContact O-C 3.54Å; V176-V187 WeakPolarHBondContact O-CA 2.96Å; K177-V187 HydrophobicContact CB-CG2 4.34Å; K177-V187 HydrophobicContact CD-CG2 4.49Å; K177-V187 HydrophobicContact CG-CG1 4.18Å; K177-V187 HydrophobicContact CG-CG2 4.2Å; V187-M245 HydrophobicContact CG1-CE 3.65Å; V187-Q246 HydrophobicContact CB-CG 4.5Å; V187-Q246 HydrophobicContact CG1-CG 4.42Å; V187-Q246 PolarHBondContact O-NE2 3.12Å
188	F	91.1	Very high	83.7	Confident	73 Å²	73	63 Å²	63	32%	0.32	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	153.3	-175.8	-51.4	-85.2	0	0	0	110.4	V175 V176 A186 L199 I203	V175-F188 CarbonylContact C-O 3.52Å; V175-F188 WeakPolarHBondContact CA-O 3.44Å; V176-F188 HydrophobicContact CB-CB 4.4Å; V176-F188 PolarHBondContact N-O 3.48Å; V176-F188 PolarHBondContact O-N 3.2Å; A186-F188 HydrophobicContact CB-CE2 4.05Å; A186-F188 HydrophobicContact CB-CZ 4.42Å; F188-L199 HydrophobicContact CB-CD1 4.04Å; F188-L199 HydrophobicContact CB-CD2 3.48Å; F188-L199 VanDerWaalsContact CB-CD2 3.48Å; F188-L199 HydrophobicContact CB-CG 4.43Å; F188-L199 HydrophobicContact CD1-CD1 3.65Å; F188-L199 HydrophobicContact CD2-CD1 3.88Å; F188-L199 HydrophobicContact CD2-CD2 3.92Å; F188-L199 HydrophobicContact CD2-CG 4.39Å; F188-L199 HydrophobicContact CE1-CD1 3.99Å; F188-L199 HydrophobicContact CE2-CD1 4.21Å; F188-L199 HydrophobicContact CG-CD1 3.58Å; F188-L199 HydrophobicContact CG-CD2 3.79Å; F188-L199 HydrophobicContact CG-CG 4.31Å; F188-L199 HydrophobicContact CZ-CD1 4.25Å; F188-I203 HydrophobicContact CD2-CG2 4.19Å; F188-I203 HydrophobicContact CE2-CG2 3.6Å; F188-I203 HydrophobicContact CZ-CG2 3.98Å
189	L	93.8	Very high	83.7	Confident	54 Å²	54	63.1 Å²	63.1	28%	0.283	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	108.3	172.5	-176.1	68.5	0	0	0	107.9	P173 V175 Y214 M245	P173-L189 HydrophobicContact CB-CD1 3.79Å; P173-L189 HydrophobicContact CB-CG 4.1Å; P173-L189 HydrophobicContact CG-CD1 4.19Å; V175-L189 HydrophobicContact CG2-CD1 4.05Å; L189-Y214 HydrophobicContact CD1-CD1 4.39Å; L189-Y214 HydrophobicContact CD1-CD2 3.58Å; L189-Y214 HydrophobicContact CD1-CE2 4.04Å; L189-Y214 HydrophobicContact CD1-CG 3.79Å; L189-M245 HydrophobicContact CD1-SD 4.05Å
190	A	93.9	Very high	83.5	Confident	3 Å²	3	63.7 Å²	63.7	3%	0.025	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	118.5	174.6	0	0	0	0	0	109.1	P173 V174 D192 H195 L196	P173-A190 CarbonylContact C-O 3.55Å; P173-A190 WeakPolarHBondContact CA-O 3.19Å; P173-A190 WeakPolarHBondContact CB-O 3.45Å; V174-A190 HydrophobicContact CG1-CB 3.92Å; V174-A190 PolarHBondContact N-O 3.46Å; V174-A190 PolarHBondContact O-N 3.11Å; A190-D192 VanDerWaalsContact C-N 3.31Å; A190-D192 PolarHBondContact O-N 2.98Å; A190-H195 HydrophobicContact CB-CB 4.41Å; A190-L196 HydrophobicContact CB-CB 3.76Å; A190-L196 HydrophobicContact CB-CD1 3.72Å; A190-L196 HydrophobicContact CB-CG 4.33Å
191	R	94.4	Very high	83.5	Confident	178 Å²	178	65 Å²	65	67%	0.672	31%	0.314	S	S	*	.			trans	-77.6	-20.3	-172	-54.8	176.7	-179.3	164.4	-1.7	113.7	Y172	Y172-R191 WeakPolarHBondContact CB-O 3.25Å
192	D	94.3	Very high	84.2	Confident	53 Å²	53	70.9 Å²	70.9	28%	0.283	34%	0.341	S	S	.	.	S	Bend	trans	-162.5	176.6	-176.9	54.1	64.8	0	0	0	109.2	Y172 A190 H194 H195 L196	Y172-D192 VanDerWaalsContact CD1-C 3.47Å; Y172-D192 VanDerWaalsContact CD1-CA 3.44Å; Y172-D192 WeakPolarHBondContact CE1-O 3.41Å; A190-D192 VanDerWaalsContact C-N 3.31Å; A190-D192 PolarHBondContact O-N 2.98Å; D192-H194 VanDerWaalsContact C-N 3.3Å; D192-H194 PolarHBondContact O-N 3.3Å; D192-H194 WeakPolarHBondContact OD1-CA 3.45Å; D192-H194 WeakPolarHBondContact OD1-CB 3.09Å; D192-H194 PolarHBondContact OD1-N 2.81Å; D192-H195 PolarHBondContact O-N 3.37Å; D192-H195 IonicContact OD1-CG 3.16Å; D192-H195 PolarHBondContact OD1-N 2.95Å; D192-H195 IonicContact OD1-ND1 2.75Å; D192-H195 IonicContact OD2-CE1 2.66Å; D192-H195 PolarHBondContact OD2-CE1 3.15Å; D192-H195 IonicContact OD2-CG 3.26Å; D192-H195 IonicContact OD2-ND1 3.9Å; D192-H195 PolarHBondContact OD2-ND1 2.95Å; D192-L196 PolarHBondContact O-N 3.01Å
193	K	92.2	Very high	84.9	Confident	68 Å²	68	69.9 Å²	69.9	30%	0.296	34%	0.336	S	S	.	.	H	α-helix	trans	-62.4	-33.4	-179.6	-168.7	165.9	-173.6	162.3	0	113.3	I164 D165 E168 Y172 L196 T197	I164-K193 HydrophobicContact CG2-CG 3.93Å; D165-K193 VanDerWaalsContact OD1-CE 3.24Å; D165-K193 WeakPolarHBondContact OD1-CE 3.5Å; D165-K193 IonicContact OD1-NZ 3.62Å; D165-K193 PolarHBondContact OD1-NZ 2.9Å; E168-K193 IonicContact OE2-NZ 3.5Å; E168-K193 PolarHBondContact OE2-NZ 3.17Å; Y172-K193 HydrophobicContact CE2-CB 3.95Å; Y172-K193 VanDerWaalsContact CZ-CA 3.48Å; Y172-K193 VanDerWaalsContact OH-CA 3.31Å; Y172-K193 WeakPolarHBondContact OH-CA 3.41Å; Y172-K193 WeakPolarHBondContact OH-CB 3.45Å; K193-L196 PolarHBondContact O-N 3.15Å; K193-T197 WeakPolarHBondContact O-CB 3.31Å; K193-T197 PolarHBondContact O-N 3.28Å; K193-T197 PolarHBondContact O-OG1 2.85Å
194	H	91.2	Very high	85.9	Confident	148 Å²	148	71.7 Å²	71.7	69%	0.685	34%	0.343	S	S	*	.	H	α-helix	trans	-69.4	-49.2	178.4	-68.3	-70.1	0	0	0	110.7	D192 L196 T197 D198	D192-H194 VanDerWaalsContact C-N 3.3Å; D192-H194 PolarHBondContact O-N 3.3Å; D192-H194 WeakPolarHBondContact OD1-CA 3.45Å; D192-H194 WeakPolarHBondContact OD1-CB 3.09Å; D192-H194 PolarHBondContact OD1-N 2.81Å; H194-L196 PolarHBondContact O-N 3.43Å; H194-T197 WeakPolarHBondContact O-CA 3.44Å; H194-T197 WeakPolarHBondContact O-CB 3.37Å; H194-T197 PolarHBondContact O-N 3.45Å; H194-D198 PolarHBondContact O-N 3.32Å
195	H	92.7	Very high	86.8	Confident	82 Å²	82	74.1 Å²	74.1	38%	0.38	35%	0.35	S	S	.	.	H	α-helix	trans	-57.5	-37.6	174	-78.1	132.9	0	0	0	112.6	A190 D192 T197 D198 L199	A190-H195 HydrophobicContact CB-CB 4.41Å; D192-H195 PolarHBondContact O-N 3.37Å; D192-H195 IonicContact OD1-CG 3.16Å; D192-H195 PolarHBondContact OD1-N 2.95Å; D192-H195 IonicContact OD1-ND1 2.75Å; D192-H195 IonicContact OD2-CE1 2.66Å; D192-H195 PolarHBondContact OD2-CE1 3.15Å; D192-H195 IonicContact OD2-CG 3.26Å; D192-H195 IonicContact OD2-ND1 3.9Å; D192-H195 PolarHBondContact OD2-ND1 2.95Å; H195-T197 VanDerWaalsContact C-N 3.34Å; H195-D198 PolarHBondContact O-N 3.01Å; H195-L199 WeakPolarHBondContact O-CB 3.44Å; H195-L199 PolarHBondContact O-N 3.01Å
196	L	90.6	Very high	87.3	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-66.6	-38.1	176.1	-171	59.6	0	0	0	112.3	I164 Y172 V174 V176 A190 D192 K193 H194 L199 C200 F211	I164-L196 HydrophobicContact CB-CD2 4.35Å; I164-L196 HydrophobicContact CG1-CD2 4.09Å; I164-L196 HydrophobicContact CG1-CG 4.06Å; I164-L196 HydrophobicContact CG2-CD2 4.11Å; Y172-L196 HydrophobicContact CE1-CB 4.36Å; Y172-L196 HydrophobicContact CE1-CD2 4.14Å; V174-L196 HydrophobicContact CG1-CD1 4.19Å; V174-L196 HydrophobicContact CG1-CD2 4.07Å; V176-L196 HydrophobicContact CG2-CD1 3.37Å; A190-L196 HydrophobicContact CB-CB 3.76Å; A190-L196 HydrophobicContact CB-CD1 3.72Å; A190-L196 HydrophobicContact CB-CG 4.33Å; D192-L196 PolarHBondContact O-N 3.01Å; K193-L196 PolarHBondContact O-N 3.15Å; H194-L196 PolarHBondContact O-N 3.43Å; L196-L199 PolarHBondContact O-N 2.9Å; L196-C200 PolarHBondContact O-N 3Å; L196-C200 VanDerWaalsContact O-N 3.07Å; L196-F211 HydrophobicContact CD1-CD1 4.06Å; L196-F211 HydrophobicContact CD1-CE1 3.46Å; L196-F211 VanDerWaalsContact CD1-CE1 3.46Å; L196-F211 HydrophobicContact CD1-CZ 4.49Å; L196-F211 HydrophobicContact CD2-CD1 4.12Å; L196-F211 HydrophobicContact CD2-CE1 3.85Å; L196-F211 HydrophobicContact CG-CE1 4.05Å
197	T	89.2	Confident	87.2	Confident	51 Å²	51	72.5 Å²	72.5	31%	0.313	35%	0.345	S	S	.	.	H	α-helix	trans	-66.7	-44.2	175.1	-54.6	0	0	0	0	111.3	I164 K193 H194 H195 L199 C200 H201	I164-T197 HydrophobicContact CD1-CG2 4.48Å; K193-T197 WeakPolarHBondContact O-CB 3.31Å; K193-T197 PolarHBondContact O-N 3.28Å; K193-T197 PolarHBondContact O-OG1 2.85Å; H194-T197 WeakPolarHBondContact O-CA 3.44Å; H194-T197 WeakPolarHBondContact O-CB 3.37Å; H194-T197 PolarHBondContact O-N 3.45Å; H195-T197 VanDerWaalsContact C-N 3.34Å; T197-L199 VanDerWaalsContact C-N 3.3Å; T197-L199 PolarHBondContact O-N 2.87Å; T197-C200 WeakPolarHBondContact O-CB 3.42Å; T197-C200 PolarHBondContact O-N 3.29Å; T197-H201 PolarHBondContact O-CD2 2.89Å; T197-H201 VanDerWaalsContact O-CD2 3.25Å
198	D	89.7	Confident	87	Confident	94 Å²	94	74 Å²	74	50%	0.503	36%	0.355	S	S	.	.	H	α-helix	trans	-62.2	-41.3	175.5	-68.3	-21	0	0	0	111.2	H194 H195 C200 H201	H194-D198 PolarHBondContact O-N 3.32Å; H195-D198 PolarHBondContact O-N 3.01Å; D198-C200 VanDerWaalsContact C-N 3.29Å; D198-C200 PolarHBondContact O-N 2.61Å; D198-H201 PolarHBondContact O-N 3.06Å; D198-H201 VanDerWaalsContact O-N 3.14Å
199	L	87.9	Confident	86.8	Confident	18 Å²	18	71.3 Å²	71.3	9%	0.094	34%	0.343	C	S	.	.	H	α-helix	trans	-61.1	-37.7	176.8	-175.3	67.6	0	0	0	112	V176 F188 H195 L196 T197 H201 L202 I203	V176-L199 HydrophobicContact CB-CD2 3.85Å; V176-L199 HydrophobicContact CG1-CD2 4.09Å; V176-L199 HydrophobicContact CG2-CD2 3.82Å; F188-L199 HydrophobicContact CB-CD1 4.04Å; F188-L199 HydrophobicContact CB-CD2 3.48Å; F188-L199 VanDerWaalsContact CB-CD2 3.48Å; F188-L199 HydrophobicContact CB-CG 4.43Å; F188-L199 HydrophobicContact CD1-CD1 3.65Å; F188-L199 HydrophobicContact CD2-CD1 3.88Å; F188-L199 HydrophobicContact CD2-CD2 3.92Å; F188-L199 HydrophobicContact CD2-CG 4.39Å; F188-L199 HydrophobicContact CE1-CD1 3.99Å; F188-L199 HydrophobicContact CE2-CD1 4.21Å; F188-L199 HydrophobicContact CG-CD1 3.58Å; F188-L199 HydrophobicContact CG-CD2 3.79Å; F188-L199 HydrophobicContact CG-CG 4.31Å; F188-L199 HydrophobicContact CZ-CD1 4.25Å; H195-L199 WeakPolarHBondContact O-CB 3.44Å; H195-L199 PolarHBondContact O-N 3.01Å; L196-L199 PolarHBondContact O-N 2.9Å; T197-L199 VanDerWaalsContact C-N 3.3Å; T197-L199 PolarHBondContact O-N 2.87Å; L199-H201 PolarHBondContact O-N 3.1Å; L199-L202 PolarHBondContact O-N 2.84Å; L199-I203 HydrophobicContact CD1-CG2 3.62Å; L199-I203 HydrophobicContact CG-CG2 3.78Å; L199-I203 WeakPolarHBondContact O-CG1 3.13Å; L199-I203 WeakPolarHBondContact O-CG2 3.27Å; L199-I203 PolarHBondContact O-N 2.96Å
200	C	83.1	Confident	86.6	Confident	13 Å²	13	68.7 Å²	68.7	9%	0.088	33%	0.329	C	S	.	.	H	α-helix	trans	-51.8	-42.2	174.5	175.9	0	0	0	0	112	F160 I164 L196 T197 D198 L202 H205	F160-C200 HydrophobicContact CD1-CB 3.4Å; F160-C200 VanDerWaalsContact CD1-CB 3.4Å; F160-C200 WeakPolarHBondContact CD1-SG 3.48Å; F160-C200 HydrophobicContact CE1-CB 3.42Å; F160-C200 VanDerWaalsContact CE1-CB 3.42Å; F160-C200 HydrophobicContact CG-CB 4.2Å; F160-C200 WeakPolarHBondContact CG-SG 3.16Å; F160-C200 HydrophobicContact CZ-CB 4.24Å; I164-C200 HydrophobicContact CD1-CB 4.26Å; L196-C200 PolarHBondContact O-N 3Å; L196-C200 VanDerWaalsContact O-N 3.07Å; T197-C200 WeakPolarHBondContact O-CB 3.42Å; T197-C200 PolarHBondContact O-N 3.29Å; D198-C200 VanDerWaalsContact C-N 3.29Å; D198-C200 PolarHBondContact O-N 2.61Å; C200-L202 VanDerWaalsContact C-N 3.25Å; C200-L202 PolarHBondContact O-N 3.21Å; C200-H205 PolarHBondContact O-CE1 3.41Å; C200-H205 PolarHBondContact O-NE2 2.94Å
201	H	83.6	Confident	86.5	Confident	144 Å²	144	68.6 Å²	68.6	67%	0.667	33%	0.328	S	S	*	.	H	α-helix	trans	-74.7	-15.6	-177.5	-63.3	-57.7	0	0	0	113.5	T197 D198 L199	T197-H201 PolarHBondContact O-CD2 2.89Å; T197-H201 VanDerWaalsContact O-CD2 3.25Å; D198-H201 PolarHBondContact O-N 3.06Å; D198-H201 VanDerWaalsContact O-N 3.14Å; L199-H201 PolarHBondContact O-N 3.1Å
202	L	84.8	Confident	86.6	Confident	143 Å²	143	60.3 Å²	60.3	75%	0.749	30%	0.297	S	S	*	.	H	α-helix	trans	-101.8	-28	-175.8	-65	175.5	0	0	0	113.5	L199 C200	L199-L202 PolarHBondContact O-N 2.84Å; C200-L202 VanDerWaalsContact C-N 3.25Å; C200-L202 PolarHBondContact O-N 3.21Å
203	I	82	Confident	86.7	Confident	13 Å²	13	61.6 Å²	61.6	7%	0.067	30%	0.302	C	S	.	.	S	Bend	trans	-81.8	155.6	-175.3	63.9	177.8	0	0	0	111.8	F160 F188 L199 Y209	F160-I203 HydrophobicContact CE2-CD1 3.49Å; F160-I203 VanDerWaalsContact CE2-CD1 3.49Å; F160-I203 HydrophobicContact CE2-CG1 4.36Å; F160-I203 HydrophobicContact CZ-CD1 3.43Å; F160-I203 VanDerWaalsContact CZ-CD1 3.43Å; F160-I203 HydrophobicContact CZ-CG1 4.42Å; F188-I203 HydrophobicContact CD2-CG2 4.19Å; F188-I203 HydrophobicContact CE2-CG2 3.6Å; F188-I203 HydrophobicContact CZ-CG2 3.98Å; L199-I203 HydrophobicContact CD1-CG2 3.62Å; L199-I203 HydrophobicContact CG-CG2 3.78Å; L199-I203 WeakPolarHBondContact O-CG1 3.13Å; L199-I203 WeakPolarHBondContact O-CG2 3.27Å; L199-I203 PolarHBondContact O-N 2.96Å; I203-Y209 HydrophobicContact CB-CE1 4.39Å; I203-Y209 HydrophobicContact CD1-CD1 4.1Å; I203-Y209 HydrophobicContact CD1-CD2 4.18Å; I203-Y209 HydrophobicContact CD1-CE1 3.92Å; I203-Y209 HydrophobicContact CD1-CE2 4.05Å; I203-Y209 HydrophobicContact CD1-CG 4.22Å
204	R	79.4	Confident	86.9	Confident	159 Å²	159	59.9 Å²	59.9	60%	0.6	29%	0.293	S	S	*	.			trans	-62.8	144.4	173.2	-74.5	-178	71.4	133.9	-2	109.5	D206 Y209	R204-D206 IonicContact CZ-OD1 3.76Å; R204-D206 IonicContact CZ-OD2 3.7Å; R204-D206 IonicContact NE-OD1 3.05Å; R204-D206 PolarHBondContact NE-OD1 3.33Å; R204-D206 IonicContact NE-OD2 3.42Å; R204-D206 IonicContact NH2-OD1 2.65Å; R204-D206 PolarHBondContact NH2-OD1 3.5Å; R204-D206 IonicContact NH2-OD2 2.78Å; R204-D206 PolarHBondContact NH2-OD2 2.9Å; R204-Y209 WeakPolarHBondContact O-CE2 3.36Å
205	H	76.6	Confident	87.2	Confident	68 Å²	68	53.3 Å²	53.3	32%	0.315	26%	0.264	S	S	.	.	S	Bend	trans	-92.9	-56.3	-179.6	-87.4	-23.8	0	0	0	107.6	H157 C200 T207	H157-H205 HydrophobicContact CB-CB 4.25Å; H157-H205 WeakPolarHBondContact CE1-CA 3.44Å; H157-H205 PolarHBondContact CE1-O 2.93Å; H157-H205 AromaticContact CG-CG 3.57Å; H157-H205 AromaticContact CG-ND1 3.96Å; H157-H205 WeakPolarHBondContact ND1-CA 3.32Å; H157-H205 WeakPolarHBondContact ND1-CB 3.4Å; H157-H205 AromaticContact ND1-CG 3.19Å; H157-H205 AromaticContact ND1-ND1 3.18Å; H157-H205 PolarHBondContact ND1-ND1 3.44Å; H157-H205 VanDerWaalsContact ND1-ND1 3.18Å; H157-H205 PolarHBondContact ND1-O 3.12Å; H157-H205 PolarHBondContact NE2-O 2.86Å; C200-H205 PolarHBondContact O-CE1 3.41Å; C200-H205 PolarHBondContact O-NE2 2.94Å; H205-T207 PolarHBondContact O-N 3.34Å
206	D	76.1	Confident	87.4	Confident	105 Å²	105	56.2 Å²	56.2	56%	0.561	28%	0.275	S	S	*	.	S	Bend	trans	-47.1	4.3	-177.8	71.6	-34.1	0	0	0	121.5	R204	R204-D206 IonicContact CZ-OD1 3.76Å; R204-D206 IonicContact CZ-OD2 3.7Å; R204-D206 IonicContact NE-OD1 3.05Å; R204-D206 PolarHBondContact NE-OD1 3.33Å; R204-D206 IonicContact NE-OD2 3.42Å; R204-D206 IonicContact NH2-OD1 2.65Å; R204-D206 PolarHBondContact NH2-OD1 3.5Å; R204-D206 IonicContact NH2-OD2 2.78Å; R204-D206 PolarHBondContact NH2-OD2 2.9Å
207	T	77.9	Confident	87.6	Confident	33 Å²	33	58.3 Å²	58.3	20%	0.202	29%	0.285	C	S	.	.	S	Bend	trans	-124.9	146.7	172.6	63.1	0	0	0	0	113	N178 H205 Y209	N178-T207 PolarHBondContact ND2-OG1 2.63Å; H205-T207 PolarHBondContact O-N 3.34Å; T207-Y209 WeakPolarHBondContact O-CD2 3.47Å; T207-Y209 WeakPolarHBondContact O-CE2 3.25Å; T207-Y209 VanDerWaalsContact OG1-CE2 3.3Å; T207-Y209 WeakPolarHBondContact OG1-CE2 3.5Å
208	P	81.8	Confident	87.9	Confident	55 Å²	55	56.2 Å²	56.2	36%	0.357	27%	0.273	S	S	.	.			trans	-68.9	145.1	174.2	24.6	-29.6	0	0	0	112.9	N178 A179	N178-P208 PolarHBondContact OD1-O 3.24Å; A179-P208 HydrophobicContact CB-CB 4.09Å; A179-P208 HydrophobicContact CB-CG 4.03Å; A179-P208 WeakPolarHBondContact CB-O 3.24Å; A179-P208 PolarHBondContact N-O 3.34Å
209	Y	86.6	Confident	88.2	Confident	15 Å²	15	55.5 Å²	55.5	6%	0.059	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	154.3	175.9	-75.9	-97	0	0	0	111	V176 K177 N178 I203 R204 T207	V176-Y209 HydrophobicContact CG1-CD1 3.85Å; K177-Y209 CarbonylContact O-C 3.51Å; K177-Y209 WeakPolarHBondContact O-CA 3.27Å; K177-Y209 WeakPolarHBondContact O-CD1 3.44Å; N178-Y209 HydrophobicContact CB-CD1 4.33Å; N178-Y209 HydrophobicContact CB-CE1 3.93Å; I203-Y209 HydrophobicContact CB-CE1 4.39Å; I203-Y209 HydrophobicContact CD1-CD1 4.1Å; I203-Y209 HydrophobicContact CD1-CD2 4.18Å; I203-Y209 HydrophobicContact CD1-CE1 3.92Å; I203-Y209 HydrophobicContact CD1-CE2 4.05Å; I203-Y209 HydrophobicContact CD1-CG 4.22Å; R204-Y209 WeakPolarHBondContact O-CE2 3.36Å; T207-Y209 WeakPolarHBondContact O-CD2 3.47Å; T207-Y209 WeakPolarHBondContact O-CE2 3.25Å; T207-Y209 VanDerWaalsContact OG1-CE2 3.3Å; T207-Y209 WeakPolarHBondContact OG1-CE2 3.5Å
210	L	90	Very high	88.6	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	151	168.7	65.1	85.3	0	0	0	110.3	K133 F134 F137 T150 Y151 V176 K177 Q212	K133-L210 HydrophobicContact CB-CD2 3.67Å; K133-L210 HydrophobicContact CD-CD2 4.48Å; F134-L210 HydrophobicContact CB-CD2 4.49Å; F134-L210 HydrophobicContact CD2-CB 4.4Å; F137-L210 HydrophobicContact CE2-CD2 4.42Å; T150-L210 HydrophobicContact CG2-CB 4.03Å; T150-L210 HydrophobicContact CG2-CD1 3.88Å; T150-L210 HydrophobicContact CG2-CD2 4.44Å; T150-L210 HydrophobicContact CG2-CG 4.33Å; Y151-L210 CarbonylContact O-C 3.41Å; Y151-L210 VanDerWaalsContact O-CA 3.26Å; Y151-L210 WeakPolarHBondContact O-CA 3.47Å; V176-L210 WeakPolarHBondContact CA-O 3.48Å; K177-L210 HydrophobicContact CB-CD1 3.76Å; K177-L210 HydrophobicContact CB-CG 3.98Å; K177-L210 HydrophobicContact CD-CD1 4Å; K177-L210 HydrophobicContact CG-CD1 3.8Å; K177-L210 PolarHBondContact N-O 2.9Å; K177-L210 PolarHBondContact O-N 3.39Å; L210-Q212 HydrophobicContact CD1-CB 3.98Å
211	F	92.8	Very high	89.2	Confident	1 Å²	1	60 Å²	60	0%	0.004	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128	176.8	-64.5	-108.5	0	0	0	106	T150 Y151 F160 M163 A167 L170 V174 V175 V176 L196	T150-F211 CarbonylContact C-O 3.57Å; T150-F211 WeakPolarHBondContact CA-O 3.48Å; Y151-F211 PolarHBondContact N-O 2.91Å; Y151-F211 PolarHBondContact O-N 3.49Å; F160-F211 AromaticContact CE1-CZ 3.99Å; F160-F211 HydrophobicContact CE1-CZ 3.99Å; F160-F211 HydrophobicContact CE2-CZ 4.36Å; F160-F211 HydrophobicContact CZ-CE2 4.49Å; F160-F211 AromaticContact CZ-CZ 3.64Å; F160-F211 HydrophobicContact CZ-CZ 3.64Å; M163-F211 HydrophobicContact CE-CD2 4.41Å; M163-F211 HydrophobicContact CE-CE2 3.25Å; M163-F211 HydrophobicContact CE-CZ 3.33Å; M163-F211 HydrophobicContact CG-CD2 3.88Å; M163-F211 HydrophobicContact CG-CE2 3.53Å; M163-F211 HydrophobicContact CG-CZ 3.93Å; M163-F211 HydrophobicContact SD-CD2 3.8Å; M163-F211 HydrophobicContact SD-CE2 3.12Å; M163-F211 WeakPolarHBondContact SD-CE2 3.21Å; M163-F211 HydrophobicContact SD-CZ 3.81Å; A167-F211 HydrophobicContact CB-CB 4.19Å; A167-F211 HydrophobicContact CB-CD1 3.92Å; A167-F211 HydrophobicContact CB-CG 4.13Å; L170-F211 HydrophobicContact CD1-CB 3.71Å; L170-F211 WeakPolarHBondContact CD1-O 3.33Å; V174-F211 HydrophobicContact CG2-CB 4.16Å; V174-F211 HydrophobicContact CG2-CD1 4.5Å; V175-F211 CarbonylContact O-C 3.49Å; V175-F211 WeakPolarHBondContact O-CA 3.4Å; V176-F211 HydrophobicContact CG1-CE1 4.43Å; V176-F211 HydrophobicContact CG1-CZ 4.25Å; V176-F211 HydrophobicContact CG2-CD1 3.9Å; V176-F211 HydrophobicContact CG2-CE1 3.8Å; V176-F211 HydrophobicContact CG2-CZ 4.43Å; L196-F211 HydrophobicContact CD1-CD1 4.06Å; L196-F211 HydrophobicContact CD1-CE1 3.46Å; L196-F211 VanDerWaalsContact CD1-CE1 3.46Å; L196-F211 HydrophobicContact CD1-CZ 4.49Å; L196-F211 HydrophobicContact CD2-CD1 4.12Å; L196-F211 HydrophobicContact CD2-CE1 3.85Å; L196-F211 HydrophobicContact CG-CE1 4.05Å
212	Q	95.5	Very high	89.8	Confident	3 Å²	3	53.4 Å²	53.4	1%	0.014	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	140	-172	-178.6	171.3	80.1	0	0	109.9	P148 D149 T150 V174 V175 K177 L210 Y214	P148-Q212 HydrophobicContact CB-CG 3.73Å; P148-Q212 HydrophobicContact CG-CG 4.27Å; D149-Q212 CarbonylContact O-C 3.59Å; D149-Q212 WeakPolarHBondContact O-CA 3.16Å; T150-Q212 HydrophobicContact CG2-CB 4.32Å; T150-Q212 WeakPolarHBondContact OG1-CG 3.26Å; T150-Q212 PolarHBondContact OG1-NE2 2.94Å; V174-Q212 WeakPolarHBondContact CG2-O 3.25Å; V175-Q212 HydrophobicContact CB-CB 4.33Å; V175-Q212 PolarHBondContact N-O 2.88Å; V175-Q212 PolarHBondContact O-N 3.24Å; K177-Q212 VanDerWaalsContact CE-OE1 3.28Å; L210-Q212 HydrophobicContact CD1-CB 3.98Å; Q212-Y214 PolarHBondContact O-N 3.02Å
213	E	96.6	Very high	90.4	Very high	81 Å²	81	47 Å²	47	38%	0.379	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-47.1	134.6	169.3	-176.5	-168.8	178.1	0	0	110.3	P148 D149 L170 V215	P148-E213 HydrophobicContact CB-CB 4.12Å; D149-E213 HydrophobicContact CB-CB 4.18Å; D149-E213 PolarHBondContact N-OE2 2.87Å; D149-E213 PolarHBondContact O-N 3.08Å; L170-E213 HydrophobicContact CD2-CB 4.32Å; E213-V215 PolarHBondContact O-N 3.15Å
214	Y	97.1	Very high	91.2	Very high	31 Å²	31	47.1 Å²	47.1	12%	0.122	22%	0.218	C	C	.	.			trans	-87.2	108.9	177.8	178.6	-115.9	0	0	0	112	P173 V175 L189 Q212 K216 H219 M245	P173-Y214 HydrophobicContact CB-CD1 4.39Å; P173-Y214 HydrophobicContact CG-CD1 3.2Å; P173-Y214 HydrophobicContact CG-CE1 3.83Å; P173-Y214 HydrophobicContact CG-CG 3.78Å; P173-Y214 WeakPolarHBondContact O-CB 3.36Å; V175-Y214 HydrophobicContact CG2-CD2 3.66Å; V175-Y214 HydrophobicContact CG2-CG 4.36Å; L189-Y214 HydrophobicContact CD1-CD1 4.39Å; L189-Y214 HydrophobicContact CD1-CD2 3.58Å; L189-Y214 HydrophobicContact CD1-CE2 4.04Å; L189-Y214 HydrophobicContact CD1-CG 3.79Å; Q212-Y214 PolarHBondContact O-N 3.02Å; Y214-K216 VanDerWaalsContact C-N 3.35Å; Y214-K216 HydrophobicContact CD1-CB 3.95Å; Y214-K216 VanDerWaalsContact CE1-CA 3.44Å; Y214-K216 HydrophobicContact CE1-CB 3.63Å; Y214-K216 PolarHBondContact O-N 2.96Å; Y214-H219 AromaticContact CZ-ND1 3.77Å; Y214-H219 WeakPolarHBondContact OH-CA 3.42Å; Y214-H219 WeakPolarHBondContact OH-CB 3.31Å; Y214-H219 PolarHBondContact OH-ND1 3.1Å; Y214-M245 HydrophobicContact CD2-SD 3.64Å; Y214-M245 HydrophobicContact CE2-CG 3.76Å; Y214-M245 HydrophobicContact CE2-SD 3.38Å; Y214-M245 WeakPolarHBondContact CE2-SD 3.46Å
215	V	97.1	Very high	92.1	Very high	11 Å²	11	39.6 Å²	39.6	7%	0.067	19%	0.189	C	C	.	.			trans	-75.4	85.4	173.2	-171.7	0	0	0	0	110	P148 E213 E217 S218 L285 L287 V293	P148-V215 HydrophobicContact CB-CG2 4.14Å; P148-V215 HydrophobicContact CG-CG2 3.98Å; E213-V215 PolarHBondContact O-N 3.15Å; V215-E217 PolarHBondContact O-N 2.85Å; V215-S218 PolarHBondContact O-N 3.21Å; V215-S218 VanDerWaalsContact O-N 3.14Å; V215-L285 HydrophobicContact CB-CB 4.45Å; V215-L285 HydrophobicContact CB-CD1 4.05Å; V215-L285 HydrophobicContact CG1-CB 4.23Å; V215-L285 HydrophobicContact CG2-CD1 3.88Å; V215-L287 HydrophobicContact CG1-CD2 3.48Å; V215-L287 VanDerWaalsContact CG1-CD2 3.48Å; V215-V293 HydrophobicContact CG2-CG2 4.05Å
216	K	96	Very high	93.1	Very high	143 Å²	143	36.3 Å²	36.3	62%	0.622	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-59.7	-32.5	-175.4	64.2	-175.5	177.7	-171.2	0	113.6	Y214 S218 H219	Y214-K216 VanDerWaalsContact C-N 3.35Å; Y214-K216 HydrophobicContact CD1-CB 3.95Å; Y214-K216 VanDerWaalsContact CE1-CA 3.44Å; Y214-K216 HydrophobicContact CE1-CB 3.63Å; Y214-K216 PolarHBondContact O-N 2.96Å; K216-S218 PolarHBondContact O-N 2.9Å; K216-H219 WeakPolarHBondContact O-CB 3.48Å; K216-H219 PolarHBondContact O-N 3.29Å; K216-H219 VanDerWaalsContact O-N 3.08Å
217	E	96.1	Very high	94.2	Very high	44 Å²	44	31.3 Å²	31.3	21%	0.206	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-60.9	-33	179	-64.7	75.8	-163.6	0	0	111.6	V215 R221 N288	V215-E217 PolarHBondContact O-N 2.85Å; E217-R221 PolarHBondContact O-NH2 2.77Å; E217-N288 HydrophobicContact CG-CB 4.15Å; E217-N288 WeakPolarHBondContact CG-ND2 3.37Å; E217-N288 WeakPolarHBondContact CG-OD1 3.18Å; E217-N288 PolarHBondContact OE1-ND2 2.97Å
218	S	96.3	Very high	95.2	Very high	7 Å²	7	30.1 Å²	30.1	5%	0.049	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-97.9	21.7	179.5	-149.2	0	0	0	0	112	V215 K216 G220 R221 L285 Q286	V215-S218 PolarHBondContact O-N 3.21Å; V215-S218 VanDerWaalsContact O-N 3.14Å; K216-S218 PolarHBondContact O-N 2.9Å; S218-G220 PolarHBondContact O-N 2.66Å; S218-G220 VanDerWaalsContact O-N 3.15Å; S218-R221 PolarHBondContact O-N 3.33Å; S218-R221 PolarHBondContact OG-O 2.77Å; S218-L285 WeakPolarHBondContact OG-CA 3.33Å; S218-L285 WeakPolarHBondContact OG-CD2 3.47Å; S218-Q286 PolarHBondContact OG-N 3.45Å
219	H	95.8	Very high	95.9	Very high	78 Å²	78	28.8 Å²	28.8	36%	0.361	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	124.4	176.7	-174.9	88.1	0	0	0	111.3	Y214 K216 R221 G243	Y214-H219 AromaticContact CZ-ND1 3.77Å; Y214-H219 WeakPolarHBondContact OH-CA 3.42Å; Y214-H219 WeakPolarHBondContact OH-CB 3.31Å; Y214-H219 PolarHBondContact OH-ND1 3.1Å; K216-H219 WeakPolarHBondContact O-CB 3.48Å; K216-H219 PolarHBondContact O-N 3.29Å; K216-H219 VanDerWaalsContact O-N 3.08Å; H219-R221 PolarHBondContact O-N 2.96Å; H219-R221 VanDerWaalsContact O-N 3.12Å; H219-G243 PolarHBondContact NE2-O 2.85Å; H219-G243 VanDerWaalsContact NE2-O 3.1Å
220	G	94.9	Very high	96.3	Very high	6 Å²	6	29.1 Å²	29.1	6%	0.062	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	13.4	175.9	0	0	0	0	0	113.6	S218 C239 S240 R244 M245 S247	S218-G220 PolarHBondContact O-N 2.66Å; S218-G220 VanDerWaalsContact O-N 3.15Å; G220-C239 CarbonylContact O-C 3.56Å; G220-C239 WeakPolarHBondContact O-CA 3.31Å; G220-S240 PolarHBondContact O-N 3.09Å; G220-R244 WeakPolarHBondContact CA-O 3.48Å; G220-M245 VanDerWaalsContact CA-O 3.29Å; G220-M245 WeakPolarHBondContact CA-O 3.26Å; G220-M245 PolarHBondContact N-O 2.87Å; G220-S247 WeakPolarHBondContact O-CB 3.33Å
221	R	95.6	Very high	96.7	Very high	120 Å²	120	38.4 Å²	38.4	45%	0.453	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	139.5	-174.9	-63.8	-178.2	-63.2	173	5.2	111.2	E217 S218 H219 L237 R238	E217-R221 PolarHBondContact O-NH2 2.77Å; S218-R221 PolarHBondContact O-N 3.33Å; S218-R221 PolarHBondContact OG-O 2.77Å; H219-R221 PolarHBondContact O-N 2.96Å; H219-R221 VanDerWaalsContact O-N 3.12Å; R221-L237 HydrophobicContact CB-CD1 4.4Å; R221-R238 VanDerWaalsContact CA-O 3.3Å; R221-R238 WeakPolarHBondContact CA-O 3.46Å
222	D	96.7	Very high	96.9	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.027	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	158.9	167.4	83.2	-68.9	0	0	0	110.9	R238 S247 L284 L285	D222-R238 PolarHBondContact N-O 2.86Å; D222-R238 VanDerWaalsContact N-O 3.12Å; D222-R238 PolarHBondContact O-N 2.93Å; D222-R238 WeakPolarHBondContact OD1-CB 3.42Å; D222-R238 IonicContact OD1-CZ 3.3Å; D222-R238 IonicContact OD1-NE 2.76Å; D222-R238 PolarHBondContact OD1-NE 2.72Å; D222-R238 IonicContact OD1-NH2 2.7Å; D222-R238 PolarHBondContact OD1-NH2 2.85Å; D222-R238 VanDerWaalsContact OD1-NH2 3.15Å; D222-R238 IonicContact OD2-CZ 3.51Å; D222-R238 VanDerWaalsContact OD2-CZ 3.3Å; D222-R238 IonicContact OD2-NE 2.88Å; D222-R238 PolarHBondContact OD2-NE 3.41Å; D222-R238 IonicContact OD2-NH2 2.93Å; D222-R238 PolarHBondContact OD2-NH2 2.57Å; D222-S247 WeakPolarHBondContact OD1-CB 3.5Å; D222-S247 PolarHBondContact OD1-OG 2.81Å; D222-L284 WeakPolarHBondContact CA-O 3.12Å; D222-L285 HydrophobicContact CB-CD2 3.89Å
223	V	97.6	Very high	97	Very high	8 Å²	8	41.6 Å²	41.6	5%	0.048	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	112.5	176.2	-176.7	0	0	0	0	109.6	V225 L237 L260 L284 F292	V223-V225 HydrophobicContact CG1-CG2 4.22Å; V223-L237 HydrophobicContact CG2-CD1 4.08Å; V223-L260 HydrophobicContact CG1-CD1 4.12Å; V223-L284 HydrophobicContact CB-CB 4.46Å; V223-L284 PolarHBondContact N-O 3.17Å; V223-L284 PolarHBondContact O-N 3.27Å; V223-F292 HydrophobicContact CG2-CE1 4.32Å
224	R	97.9	Very high	97.1	Very high	17 Å²	17	38.5 Å²	38.5	6%	0.064	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	118.8	170.3	172	66	61.7	156.6	-8.6	108.9	V226 S235 M236 D283 N298 F306	R224-V226 HydrophobicContact CG-CG2 4.3Å; R224-S235 CarbonylContact O-C 3.54Å; R224-S235 VanDerWaalsContact O-CA 3.31Å; R224-S235 WeakPolarHBondContact O-CA 3.45Å; R224-M236 PolarHBondContact N-O 3.16Å; R224-M236 PolarHBondContact O-N 3.02Å; R224-D283 WeakPolarHBondContact CD-OD1 3.22Å; R224-D283 IonicContact CZ-OD1 3.15Å; R224-D283 IonicContact CZ-OD2 2.68Å; R224-D283 IonicContact NE-OD1 3.39Å; R224-D283 PolarHBondContact NE-OD1 2.91Å; R224-D283 IonicContact NE-OD2 2.68Å; R224-D283 IonicContact NH1-OD1 2.8Å; R224-D283 IonicContact NH2-OD1 3.3Å; R224-D283 PolarHBondContact NH2-OD1 2.84Å; R224-D283 IonicContact NH2-OD2 3.63Å; R224-D283 PolarHBondContact NH2-OD2 2.89Å; R224-N298 PolarHBondContact NH1-ND2 3.39Å; R224-N298 VanDerWaalsContact NH1-ND2 3.14Å; R224-N298 PolarHBondContact NH2-ND2 2.99Å; R224-F306 HydrophobicContact CG-CD2 4.34Å
225	V	98.4	Very high	97.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	125.4	172.5	-167.4	0	0	0	0	108.6	V223 L227 V232 L260 A268 G281 V282 L284	V223-V225 HydrophobicContact CG1-CG2 4.22Å; V225-L227 HydrophobicContact CB-CD1 4.35Å; V225-L227 HydrophobicContact CG1-CD1 4.01Å; V225-V232 HydrophobicContact CG1-CB 4.35Å; V225-V232 HydrophobicContact CG1-CG1 3.62Å; V225-V232 HydrophobicContact CG1-CG2 3.89Å; V225-L260 HydrophobicContact CB-CD2 4.46Å; V225-L260 HydrophobicContact CG1-CD2 4.06Å; V225-L260 HydrophobicContact CG2-CD2 3.51Å; V225-A268 HydrophobicContact CB-CB 4.04Å; V225-A268 HydrophobicContact CG1-CB 3.82Å; V225-A268 HydrophobicContact CG2-CB 4.26Å; V225-G281 CarbonylContact O-C 3.59Å; V225-G281 VanDerWaalsContact O-CA 3.23Å; V225-G281 WeakPolarHBondContact O-CA 3.18Å; V225-V282 PolarHBondContact N-O 3.12Å; V225-V282 PolarHBondContact O-N 2.83Å; V225-L284 HydrophobicContact CG2-CD1 3.85Å; V225-L284 HydrophobicContact CG2-CG 4.27Å
226	V	98.4	Very high	97.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	130.4	175.7	177	0	0	0	0	109.1	R224 V233 G234 C280 V301 F306 V314	R224-V226 HydrophobicContact CG-CG2 4.3Å; V226-V233 PolarHBondContact O-N 3.12Å; V226-G234 PolarHBondContact N-O 3.08Å; V226-G234 VanDerWaalsContact N-O 3.1Å; V226-C280 WeakPolarHBondContact CA-O 3.03Å; V226-V301 HydrophobicContact CG2-CG2 4.2Å; V226-F306 HydrophobicContact CB-CD1 4.49Å; V226-F306 HydrophobicContact CB-CE1 3.98Å; V226-F306 HydrophobicContact CB-CE2 4.06Å; V226-F306 HydrophobicContact CB-CZ 3.73Å; V226-F306 HydrophobicContact CG2-CD1 3.97Å; V226-F306 HydrophobicContact CG2-CD2 3.64Å; V226-F306 HydrophobicContact CG2-CE1 3.91Å; V226-F306 HydrophobicContact CG2-CE2 3.57Å; V226-F306 HydrophobicContact CG2-CG 3.84Å; V226-F306 HydrophobicContact CG2-CZ 3.7Å; V226-V314 HydrophobicContact CG1-CG1 4.15Å
227	L	98.6	Very high	97.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	141.5	178.9	-58.9	91.9	0	0	0	111.1	V225 R231 V232 A268 I269 V279 C280 V282	V225-L227 HydrophobicContact CB-CD1 4.35Å; V225-L227 HydrophobicContact CG1-CD1 4.01Å; L227-R231 CarbonylContact C-O 3.48Å; L227-R231 WeakPolarHBondContact CA-O 3.31Å; L227-R231 WeakPolarHBondContact CB-O 3.32Å; L227-V232 HydrophobicContact CD2-CG2 3.95Å; L227-V232 HydrophobicContact CG-CG2 4.15Å; L227-A268 HydrophobicContact CD1-CB 4.04Å; L227-A268 HydrophobicContact CD2-CB 4.36Å; L227-I269 HydrophobicContact CD2-CB 4.35Å; L227-I269 HydrophobicContact CD2-CG1 3.76Å; L227-V279 WeakPolarHBondContact O-CA 3.26Å; L227-C280 PolarHBondContact N-O 2.8Å; L227-C280 PolarHBondContact O-N 2.53Å; L227-V282 HydrophobicContact CD1-CB 4.48Å; L227-V282 HydrophobicContact CD1-CG2 3.91Å
228	V	98.6	Very high	97.1	Very high	7 Å²	7	31.5 Å²	31.5	4%	0.042	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	124.9	173	179.8	0	0	0	0	108.6	G230 R231 V233 D278 V279 I317 I318 F321	V228-G230 VanDerWaalsContact C-N 3.31Å; V228-G230 PolarHBondContact O-N 2.95Å; V228-R231 PolarHBondContact N-O 2.9Å; V228-R231 PolarHBondContact O-N 3.03Å; V228-R231 VanDerWaalsContact O-N 3.15Å; V228-V233 HydrophobicContact CB-CG2 3.84Å; V228-V233 HydrophobicContact CG2-CG2 3.76Å; V228-D278 CarbonylContact C-O 3.5Å; V228-D278 VanDerWaalsContact CA-O 3.24Å; V228-D278 WeakPolarHBondContact CA-O 3.43Å; V228-V279 HydrophobicContact CG1-CG2 4.32Å; V228-V279 HydrophobicContact CG2-CG1 4.48Å; V228-I317 HydrophobicContact CB-CG2 3.98Å; V228-I317 HydrophobicContact CG1-CG2 4.02Å; V228-I317 HydrophobicContact CG2-CG2 4.19Å; V228-I318 HydrophobicContact CG1-CG1 4.33Å; V228-I318 HydrophobicContact CG2-CG1 3.76Å; V228-F321 HydrophobicContact CG1-CB 3.55Å; V228-F321 HydrophobicContact CG1-CD1 4Å; V228-F321 HydrophobicContact CG1-CG 3.77Å
229	G	97.3	Very high	97	Very high	27 Å²	27	32.3 Å²	32.3	28%	0.278	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	36.2	178.8	0	0	0	0	0	114.2	R231 D278	G229-R231 VanDerWaalsContact C-N 3.28Å; G229-R231 PolarHBondContact O-N 2.86Å; G229-D278 PolarHBondContact N-O 3.29Å
230	G	95.6	Very high	96.9	Very high	23 Å²	23	29.8 Å²	29.8	24%	0.237	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	15.1	-177.8	0	0	0	0	0	114.5	V228	V228-G230 VanDerWaalsContact C-N 3.31Å; V228-G230 PolarHBondContact O-N 2.95Å
231	R	97.5	Very high	96.7	Very high	195 Å²	195	33.7 Å²	33.7	74%	0.736	18%	0.18	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-120.3	139	177.8	-61.4	-179.8	179.5	-166.3	-4	110.9	L227 V228 G229 V233	L227-R231 CarbonylContact C-O 3.48Å; L227-R231 WeakPolarHBondContact CA-O 3.31Å; L227-R231 WeakPolarHBondContact CB-O 3.32Å; V228-R231 PolarHBondContact N-O 2.9Å; V228-R231 PolarHBondContact O-N 3.03Å; V228-R231 VanDerWaalsContact O-N 3.15Å; G229-R231 VanDerWaalsContact C-N 3.28Å; G229-R231 PolarHBondContact O-N 2.86Å; R231-V233 PolarHBondContact O-N 3.33Å
232	V	98.3	Very high	96.3	Very high	39 Å²	39	31.9 Å²	31.9	24%	0.236	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	118.4	170.4	176.7	0	0	0	0	109	V225 L227 K265 I269	V225-V232 HydrophobicContact CG1-CB 4.35Å; V225-V232 HydrophobicContact CG1-CG1 3.62Å; V225-V232 HydrophobicContact CG1-CG2 3.89Å; L227-V232 HydrophobicContact CD2-CG2 3.95Å; L227-V232 HydrophobicContact CG-CG2 4.15Å; V232-K265 HydrophobicContact CG2-CB 4.15Å; V232-K265 HydrophobicContact CG2-CG 4.3Å; V232-I269 HydrophobicContact CG2-CD1 4.22Å; V232-I269 HydrophobicContact CG2-CG1 4Å
233	V	97.3	Very high	95.7	Very high	32 Å²	32	34.5 Å²	34.5	19%	0.194	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	-36.1	175.4	175.1	0	0	0	0	110.5	V226 V228 R231 I312 V314 I317	V226-V233 PolarHBondContact O-N 3.12Å; V228-V233 HydrophobicContact CB-CG2 3.84Å; V228-V233 HydrophobicContact CG2-CG2 3.76Å; R231-V233 PolarHBondContact O-N 3.33Å; V233-I312 HydrophobicContact CG1-CD1 4.28Å; V233-I312 HydrophobicContact CG1-CG2 3.73Å; V233-I312 WeakPolarHBondContact O-CD1 3.46Å; V233-V314 HydrophobicContact CG1-CG2 4.1Å; V233-I317 HydrophobicContact CG1-CD1 3.52Å; V233-I317 HydrophobicContact CG2-CG2 4Å
234	G	97.3	Very high	95.2	Very high	15 Å²	15	39.5 Å²	39.5	16%	0.155	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.4	-176.5	173.5	0	0	0	0	0	111.9	V226 F306	V226-G234 PolarHBondContact N-O 3.08Å; V226-G234 VanDerWaalsContact N-O 3.1Å; G234-F306 WeakPolarHBondContact O-CZ 3.42Å
235	S	97.8	Very high	94.8	Very high	11 Å²	11	40.2 Å²	40.2	8%	0.077	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	139.4	-179	39.4	0	0	0	0	111.5	R224 C258 L260	R224-S235 CarbonylContact O-C 3.54Å; R224-S235 VanDerWaalsContact O-CA 3.31Å; R224-S235 WeakPolarHBondContact O-CA 3.45Å; S235-C258 PolarHBondContact O-N 3.14Å; S235-C258 PolarHBondContact OG-O 2.82Å; S235-L260 WeakPolarHBondContact OG-CB 3.11Å
236	M	97	Very high	94.3	Very high	7 Å²	7	41.9 Å²	41.9	3%	0.034	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	121.5	179.6	178.4	176	66.2	0	0	109.3	R224 R238 M256 A305 F306 A309	R224-M236 PolarHBondContact N-O 3.16Å; R224-M236 PolarHBondContact O-N 3.02Å; M236-R238 HydrophobicContact CE-CG 3.86Å; M236-R238 HydrophobicContact CG-CG 4.38Å; M236-M256 CarbonylContact C-O 3.6Å; M236-M256 WeakPolarHBondContact CA-O 3.42Å; M236-M256 WeakPolarHBondContact CG-O 3.45Å; M236-A305 HydrophobicContact CE-CB 4.31Å; M236-A305 HydrophobicContact SD-CB 4.42Å; M236-F306 HydrophobicContact CB-CD2 3.64Å; M236-F306 HydrophobicContact CB-CE2 4.01Å; M236-F306 HydrophobicContact CE-CB 4.05Å; M236-F306 HydrophobicContact CE-CD2 4.32Å; M236-F306 HydrophobicContact SD-CB 4.32Å; M236-A309 HydrophobicContact CG-CB 4.17Å; M236-A309 HydrophobicContact SD-CB 3.65Å
237	L	96.6	Very high	93.6	Very high	46 Å²	46	42.2 Å²	42.2	24%	0.241	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	125.2	167.5	176.3	66.1	0	0	0	107.4	R221 V223 G255 M256 C258	R221-L237 HydrophobicContact CB-CD1 4.4Å; V223-L237 HydrophobicContact CG2-CD1 4.08Å; L237-G255 WeakPolarHBondContact O-CA 3.26Å; L237-M256 PolarHBondContact N-O 3.21Å; L237-M256 PolarHBondContact O-N 2.82Å; L237-C258 HydrophobicContact CB-CB 3.83Å; L237-C258 PolarHBondContact N-SG 3.35Å
238	R	95.5	Very high	92.8	Very high	19 Å²	19	43.4 Å²	43.4	7%	0.072	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	134.6	172.5	-50	-173.7	-66	-162.6	-1.5	109.1	R221 D222 M236 S247 N248 V254 D283	R221-R238 VanDerWaalsContact CA-O 3.3Å; R221-R238 WeakPolarHBondContact CA-O 3.46Å; D222-R238 PolarHBondContact N-O 2.86Å; D222-R238 VanDerWaalsContact N-O 3.12Å; D222-R238 PolarHBondContact O-N 2.93Å; D222-R238 WeakPolarHBondContact OD1-CB 3.42Å; D222-R238 IonicContact OD1-CZ 3.3Å; D222-R238 IonicContact OD1-NE 2.76Å; D222-R238 PolarHBondContact OD1-NE 2.72Å; D222-R238 IonicContact OD1-NH2 2.7Å; D222-R238 PolarHBondContact OD1-NH2 2.85Å; D222-R238 VanDerWaalsContact OD1-NH2 3.15Å; D222-R238 IonicContact OD2-CZ 3.51Å; D222-R238 VanDerWaalsContact OD2-CZ 3.3Å; D222-R238 IonicContact OD2-NE 2.88Å; D222-R238 PolarHBondContact OD2-NE 3.41Å; D222-R238 IonicContact OD2-NH2 2.93Å; D222-R238 PolarHBondContact OD2-NH2 2.57Å; M236-R238 HydrophobicContact CE-CG 3.86Å; M236-R238 HydrophobicContact CG-CG 4.38Å; R238-S247 WeakPolarHBondContact CB-O 3.37Å; R238-S247 WeakPolarHBondContact O-CB 3.45Å; R238-N248 PolarHBondContact NH2-ND2 3.38Å; R238-V254 CarbonylContact C-O 3.46Å; R238-V254 VanDerWaalsContact CA-O 3.31Å; R238-V254 WeakPolarHBondContact CA-O 3.34Å; R238-D283 IonicContact CZ-OD1 3.29Å; R238-D283 IonicContact CZ-OD2 3.78Å; R238-D283 IonicContact NH2-OD1 3.03Å; R238-D283 PolarHBondContact NH2-OD1 3.36Å; R238-D283 IonicContact NH2-OD2 2.99Å; R238-D283 PolarHBondContact NH2-OD2 3.26Å
239	C	93.9	Very high	91.8	Very high	23 Å²	23	44.8 Å²	44.8	16%	0.155	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	136.4	179.2	-62.8	0	0	0	0	110.6	G220 G253 V254	G220-C239 CarbonylContact O-C 3.56Å; G220-C239 WeakPolarHBondContact O-CA 3.31Å; C239-G253 CarbonylContact O-C 3.58Å; C239-G253 WeakPolarHBondContact O-CA 3.31Å; C239-V254 HydrophobicContact CB-CG2 4.03Å; C239-V254 PolarHBondContact N-O 2.76Å; C239-V254 PolarHBondContact O-N 2.75Å
240	S	93.6	Very high	90.7	Very high	26 Å²	26	47 Å²	47	18%	0.182	27%	0.266	C	S	.	.			trans	-67.6	145.2	167	-178.8	0	0	0	0	110.7	G220 D242 R244	G220-S240 PolarHBondContact O-N 3.09Å; S240-D242 PolarHBondContact OG-OD1 2.92Å; S240-R244 WeakPolarHBondContact CB-O 3.35Å; S240-R244 PolarHBondContact OG-N 3.18Å; S240-R244 PolarHBondContact OG-O 3.25Å
241	T	90.7	Very high	89.8	Confident	88 Å²	88	48.6 Å²	48.6	54%	0.54	27%	0.269	S	S	.	.	S	Bend	trans	-106.6	-8.1	-179.4	50	0	0	0	0	113.2	G252 V254	T241-G252 PolarHBondContact OG1-O 3.4Å; T241-V254 HydrophobicContact CG2-CG1 3.78Å; T241-V254 HydrophobicContact CG2-CG2 4.17Å
242	D	87.4	Confident	89	Confident	82 Å²	82	41.4 Å²	41.4	44%	0.439	26%	0.256	S	S	.	.	S	Bend	trans	-124.1	13.5	-171.9	62	17.6	0	0	0	113.3	S240 R244	S240-D242 PolarHBondContact OG-OD1 2.92Å; D242-R244 VanDerWaalsContact CG-NE 3.28Å; D242-R244 PolarHBondContact O-N 2.84Å; D242-R244 WeakPolarHBondContact OD1-CB 3.16Å; D242-R244 VanDerWaalsContact OD1-CG 3.25Å; D242-R244 WeakPolarHBondContact OD1-CG 3.32Å; D242-R244 PolarHBondContact OD1-N 2.92Å; D242-R244 IonicContact OD1-NE 3.24Å; D242-R244 PolarHBondContact OD1-NE 2.9Å; D242-R244 VanDerWaalsContact OD1-NE 3.16Å; D242-R244 IonicContact OD2-CZ 3.09Å; D242-R244 IonicContact OD2-NE 2.86Å; D242-R244 PolarHBondContact OD2-NE 3Å; D242-R244 IonicContact OD2-NH2 3.79Å; D242-R244 PolarHBondContact OD2-NH2 2.89Å
243	G	84.5	Confident	88.4	Confident	60 Å²	60	40.1 Å²	40.1	62%	0.619	25%	0.251	S	S	*	.	S	Bend	trans	73.4	8.7	179.1	0	0	0	0	0	114.4	H219	H219-G243 PolarHBondContact NE2-O 2.85Å; H219-G243 VanDerWaalsContact NE2-O 3.1Å
244	R	87	Confident	88	Confident	113 Å²	113	41.6 Å²	41.6	43%	0.426	26%	0.26	S	S	.	.			trans	-77.5	155	169	-65.8	-175.3	-68.9	176.4	-2.6	111.3	G220 S240 D242 Q246 L251	G220-R244 WeakPolarHBondContact CA-O 3.48Å; S240-R244 WeakPolarHBondContact CB-O 3.35Å; S240-R244 PolarHBondContact OG-N 3.18Å; S240-R244 PolarHBondContact OG-O 3.25Å; D242-R244 VanDerWaalsContact CG-NE 3.28Å; D242-R244 PolarHBondContact O-N 2.84Å; D242-R244 WeakPolarHBondContact OD1-CB 3.16Å; D242-R244 VanDerWaalsContact OD1-CG 3.25Å; D242-R244 WeakPolarHBondContact OD1-CG 3.32Å; D242-R244 PolarHBondContact OD1-N 2.92Å; D242-R244 IonicContact OD1-NE 3.24Å; D242-R244 PolarHBondContact OD1-NE 2.9Å; D242-R244 VanDerWaalsContact OD1-NE 3.16Å; D242-R244 IonicContact OD2-CZ 3.09Å; D242-R244 IonicContact OD2-NE 2.86Å; D242-R244 PolarHBondContact OD2-NE 3Å; D242-R244 IonicContact OD2-NH2 3.79Å; D242-R244 PolarHBondContact OD2-NH2 2.89Å; R244-Q246 VanDerWaalsContact C-N 3.27Å; R244-Q246 PolarHBondContact O-N 2.86Å; R244-L251 PolarHBondContact NH2-O 2.81Å
245	M	90.3	Very high	87.7	Confident	32 Å²	32	42.1 Å²	42.1	16%	0.158	27%	0.265	C	S	.	.	S	Bend	trans	-62.8	-33	176.5	179.7	-170	74.6	0	0	112.7	V175 V187 L189 Y214 G220 S247	V175-M245 HydrophobicContact CG1-CE 3.86Å; V175-M245 HydrophobicContact CG2-CE 4.07Å; V175-M245 HydrophobicContact CG2-SD 3.68Å; V187-M245 HydrophobicContact CG1-CE 3.65Å; L189-M245 HydrophobicContact CD1-SD 4.05Å; Y214-M245 HydrophobicContact CD2-SD 3.64Å; Y214-M245 HydrophobicContact CE2-CG 3.76Å; Y214-M245 HydrophobicContact CE2-SD 3.38Å; Y214-M245 WeakPolarHBondContact CE2-SD 3.46Å; G220-M245 VanDerWaalsContact CA-O 3.29Å; G220-M245 WeakPolarHBondContact CA-O 3.26Å; G220-M245 PolarHBondContact N-O 2.87Å; M245-S247 PolarHBondContact O-N 3.26Å
246	Q	87	Confident	87.6	Confident	35 Å²	35	46.1 Å²	46.1	16%	0.164	28%	0.283	C	S	.	.			trans	-75.8	116.7	-176.7	-58.3	81.5	-2.8	0	0	110.5	V187 R244 L251	V187-Q246 HydrophobicContact CB-CG 4.5Å; V187-Q246 HydrophobicContact CG1-CG 4.42Å; V187-Q246 PolarHBondContact O-NE2 3.12Å; R244-Q246 VanDerWaalsContact C-N 3.27Å; R244-Q246 PolarHBondContact O-N 2.86Å; Q246-L251 HydrophobicContact CB-CD1 3.92Å; Q246-L251 HydrophobicContact CG-CD1 4.41Å
247	S	84	Confident	87.5	Confident	7 Å²	7	51.8 Å²	51.8	5%	0.049	31%	0.311	C	S	.	.			trans	-92.4	-0.8	179.2	43.8	0	0	0	0	114.1	G220 D222 R238 M245 C249	G220-S247 WeakPolarHBondContact O-CB 3.33Å; D222-S247 WeakPolarHBondContact OD1-CB 3.5Å; D222-S247 PolarHBondContact OD1-OG 2.81Å; R238-S247 WeakPolarHBondContact CB-O 3.37Å; R238-S247 WeakPolarHBondContact O-CB 3.45Å; M245-S247 PolarHBondContact O-N 3.26Å; S247-C249 PolarHBondContact O-N 3.39Å
248	N	81.6	Confident	87.4	Confident	24 Å²	24	50.5 Å²	50.5	13%	0.128	31%	0.306	C	S	.	.			trans	-58.7	130	-173.5	-57.9	98.1	0	0	0	112	R238 S250 L251 G253	R238-N248 PolarHBondContact NH2-ND2 3.38Å; N248-S250 PolarHBondContact O-N 3.3Å; N248-S250 VanDerWaalsContact O-N 3.11Å; N248-L251 HydrophobicContact CB-CD1 4.49Å; N248-L251 HydrophobicContact CB-CG 4.47Å; N248-L251 PolarHBondContact O-N 3.33Å; N248-G253 PolarHBondContact O-N 3.02Å
249	C	77.2	Confident	87.3	Confident	36 Å²	36	55.9 Å²	55.9	24%	0.243	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-59.5	-27.2	177.4	-52.8	0	0	0	0	113.3	S247 L251 G252 G253 A305	S247-C249 PolarHBondContact O-N 3.39Å; C249-L251 PolarHBondContact O-N 2.87Å; C249-L251 VanDerWaalsContact O-N 3.15Å; C249-G252 PolarHBondContact O-N 3.3Å; C249-G252 VanDerWaalsContact O-N 3.17Å; C249-G253 WeakPolarHBondContact CA-O 3.33Å; C249-A305 HydrophobicContact CB-CB 4.03Å
250	S	74.8	Confident	87.4	Confident	73 Å²	73	55.4 Å²	55.4	51%	0.51	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-65.1	-12.8	174.3	57.1	0	0	0	0	114.4	N248	N248-S250 PolarHBondContact O-N 3.3Å; N248-S250 VanDerWaalsContact O-N 3.11Å
251	L	76.8	Confident	87.5	Confident	57 Å²	57	56.7 Å²	56.7	30%	0.298	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-108.9	11.7	177.8	-61.9	178.2	0	0	0	112.8	R244 Q246 N248 C249	R244-L251 PolarHBondContact NH2-O 2.81Å; Q246-L251 HydrophobicContact CB-CD1 3.92Å; Q246-L251 HydrophobicContact CG-CD1 4.41Å; N248-L251 HydrophobicContact CB-CD1 4.49Å; N248-L251 HydrophobicContact CB-CG 4.47Å; N248-L251 PolarHBondContact O-N 3.33Å; C249-L251 PolarHBondContact O-N 2.87Å; C249-L251 VanDerWaalsContact O-N 3.15Å
252	G	79.4	Confident	87.8	Confident	45 Å²	45	58.9 Å²	58.9	46%	0.464	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.4	5.1	-178.2	0	0	0	0	0	114.7	T241 C249	T241-G252 PolarHBondContact OG1-O 3.4Å; C249-G252 PolarHBondContact O-N 3.3Å; C249-G252 VanDerWaalsContact O-N 3.17Å
253	G	85.6	Confident	88.3	Confident	12 Å²	12	60.3 Å²	60.3	12%	0.124	36%	0.357	C	S	.	.			trans	-66.2	155.1	170.1	0	0	0	0	0	112.5	C239 N248 C249	C239-G253 CarbonylContact O-C 3.58Å; C239-G253 WeakPolarHBondContact O-CA 3.31Å; N248-G253 PolarHBondContact O-N 3.02Å; C249-G253 WeakPolarHBondContact CA-O 3.33Å
254	V	89.3	Confident	88.9	Confident	63 Å²	63	57.5 Å²	57.5	38%	0.382	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	141	177	-67.3	0	0	0	0	110.4	R238 C239 T241	R238-V254 CarbonylContact C-O 3.46Å; R238-V254 VanDerWaalsContact CA-O 3.31Å; R238-V254 WeakPolarHBondContact CA-O 3.34Å; C239-V254 HydrophobicContact CB-CG2 4.03Å; C239-V254 PolarHBondContact N-O 2.76Å; C239-V254 PolarHBondContact O-N 2.75Å; T241-V254 HydrophobicContact CG2-CG1 3.78Å; T241-V254 HydrophobicContact CG2-CG2 4.17Å
255	G	92.7	Very high	89.5	Confident	25 Å²	25	55.2 Å²	55.2	26%	0.258	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	132.8	177.7	0	0	0	0	0	110.7	L237	L237-G255 WeakPolarHBondContact O-CA 3.26Å
256	M	93.8	Very high	89.9	Confident	95 Å²	95	59.2 Å²	59.2	47%	0.468	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	140.8	175.6	-62.8	-179.3	-68.4	0	0	109.5	M236 L237 C258	M236-M256 CarbonylContact C-O 3.6Å; M236-M256 WeakPolarHBondContact CA-O 3.42Å; M236-M256 WeakPolarHBondContact CG-O 3.45Å; L237-M256 PolarHBondContact N-O 3.21Å; L237-M256 PolarHBondContact O-N 2.82Å; M256-C258 PolarHBondContact O-N 3.28Å
257	M	95.6	Very high	90.4	Very high	126 Å²	126	58.1 Å²	58.1	62%	0.621	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.9	134.9	170.6	-178.5	-177.8	66.2	0	0	109.4	A309	M257-A309 WeakPolarHBondContact CB-O 3.42Å
258	C	93.9	Very high	91.1	Very high	20 Å²	20	57.8 Å²	57.8	14%	0.135	33%	0.332	C	S	.	.			trans	-133.9	140.5	175.3	68.5	0	0	0	0	110.2	S235 L237 M256	S235-C258 PolarHBondContact O-N 3.14Å; S235-C258 PolarHBondContact OG-O 2.82Å; L237-C258 HydrophobicContact CB-CB 3.83Å; L237-C258 PolarHBondContact N-SG 3.35Å; M256-C258 PolarHBondContact O-N 3.28Å
259	P	93.5	Very high	92	Very high	132 Å²	132	58.4 Å²	58.4	86%	0.857	34%	0.335	S	S	*	.			trans	-62.9	136.4	164.5	-19.3	32.3	0	0	0	110.1
260	L	96.1	Very high	93	Very high	13 Å²	13	60.2 Å²	60.2	7%	0.068	34%	0.339	C	S	.	.			trans	-107.9	137.9	172.8	-172.2	65.5	0	0	0	109.7	V223 V225 S235 K265 L284 F292	V223-L260 HydrophobicContact CG1-CD1 4.12Å; V225-L260 HydrophobicContact CB-CD2 4.46Å; V225-L260 HydrophobicContact CG1-CD2 4.06Å; V225-L260 HydrophobicContact CG2-CD2 3.51Å; S235-L260 WeakPolarHBondContact OG-CB 3.11Å; L260-K265 HydrophobicContact CB-CG 4.23Å; L260-K265 HydrophobicContact CD2-CG 3.9Å; L260-K265 HydrophobicContact CG-CG 4.16Å; L260-K265 VanDerWaalsContact O-CE 3.27Å; L260-K265 WeakPolarHBondContact O-CE 3.48Å; L260-L284 HydrophobicContact CD1-CD1 4.38Å; L260-L284 HydrophobicContact CD2-CD1 4.49Å; L260-F292 HydrophobicContact CD1-CE1 4.22Å; L260-F292 HydrophobicContact CD1-CE2 4.1Å; L260-F292 HydrophobicContact CD1-CZ 3.77Å
261	S	97.1	Very high	94.1	Very high	53 Å²	53	56.7 Å²	56.7	37%	0.371	32%	0.315	S	S	.	.			trans	-63.3	157.6	175	69.6	0	0	0	0	111.4	Q263 G264 K265	S261-Q263 PolarHBondContact O-N 3.36Å; S261-G264 PolarHBondContact O-N 3.23Å; S261-G264 PolarHBondContact OG-N 3.04Å; S261-K265 WeakPolarHBondContact O-CG 3.37Å; S261-K265 PolarHBondContact O-N 2.78Å
262	E	97.3	Very high	95.1	Very high	134 Å²	134	54 Å²	54	63%	0.626	30%	0.301	S	S	*	.	H	α-helix	trans	-59.2	-35.6	176.2	-66.2	-52.7	123.9	0	0	112	K265 Q266	E262-K265 PolarHBondContact O-N 2.8Å; E262-K265 IonicContact OE1-NZ 3.25Å; E262-K265 PolarHBondContact OE1-NZ 2.84Å; E262-Q266 VanDerWaalsContact O-CB 3.32Å; E262-Q266 WeakPolarHBondContact O-CB 3.11Å; E262-Q266 PolarHBondContact O-N 2.9Å
263	Q	97	Very high	96	Very high	112 Å²	112	56.6 Å²	56.6	52%	0.523	30%	0.304	S	S	.	.	H	α-helix	trans	-58.6	-48.1	172.4	-176.4	-171.9	7	0	0	111.6	S261 Q266 L267	S261-Q263 PolarHBondContact O-N 3.36Å; Q263-Q266 PolarHBondContact O-N 3.31Å; Q263-L267 WeakPolarHBondContact O-CB 3.12Å; Q263-L267 PolarHBondContact O-N 2.88Å
264	G	98.1	Very high	96.6	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-65.4	-38.9	178.7	0	0	0	0	0	112.7	S261 A268	S261-G264 PolarHBondContact O-N 3.23Å; S261-G264 PolarHBondContact OG-N 3.04Å; G264-A268 WeakPolarHBondContact O-CB 3.43Å; G264-A268 PolarHBondContact O-N 3.33Å
265	K	98.4	Very high	97	Very high	66 Å²	66	54.8 Å²	54.8	29%	0.287	29%	0.289	S	S	.	.	H	α-helix	trans	-63	-47.8	174.8	-68.8	176	-171.2	165.1	0	111.2	V232 L260 S261 E262 L267 A268 I269	V232-K265 HydrophobicContact CG2-CB 4.15Å; V232-K265 HydrophobicContact CG2-CG 4.3Å; L260-K265 HydrophobicContact CB-CG 4.23Å; L260-K265 HydrophobicContact CD2-CG 3.9Å; L260-K265 HydrophobicContact CG-CG 4.16Å; L260-K265 VanDerWaalsContact O-CE 3.27Å; L260-K265 WeakPolarHBondContact O-CE 3.48Å; S261-K265 WeakPolarHBondContact O-CG 3.37Å; S261-K265 PolarHBondContact O-N 2.78Å; E262-K265 PolarHBondContact O-N 2.8Å; E262-K265 IonicContact OE1-NZ 3.25Å; E262-K265 PolarHBondContact OE1-NZ 2.84Å; K265-L267 VanDerWaalsContact C-N 3.34Å; K265-L267 PolarHBondContact O-N 3.34Å; K265-A268 PolarHBondContact O-N 2.89Å; K265-I269 VanDerWaalsContact O-CG1 3.28Å; K265-I269 WeakPolarHBondContact O-CG1 3.45Å; K265-I269 PolarHBondContact O-N 3.19Å
266	Q	98.4	Very high	97.2	Very high	115 Å²	115	55.5 Å²	55.5	54%	0.537	30%	0.296	S	S	.	.	H	α-helix	trans	-63	-42.8	-179.3	-172.9	58.1	40.1	0	0	111.3	E262 Q263 A268 I269 E270	E262-Q266 VanDerWaalsContact O-CB 3.32Å; E262-Q266 WeakPolarHBondContact O-CB 3.11Å; E262-Q266 PolarHBondContact O-N 2.9Å; Q263-Q266 PolarHBondContact O-N 3.31Å; Q266-A268 PolarHBondContact O-N 3.38Å; Q266-I269 PolarHBondContact O-N 3.31Å; Q266-E270 WeakPolarHBondContact O-CB 3.36Å; Q266-E270 PolarHBondContact O-N 2.83Å
267	L	98.7	Very high	97.4	Very high	12 Å²	12	51.2 Å²	51.2	6%	0.063	28%	0.275	C	S	.	.	H	α-helix	trans	-58.6	-46.1	174.3	178.1	60.6	0	0	0	111.6	V145 P146 Q263 K265 I269 E270 V271 L284 F292 V294	V145-L267 HydrophobicContact CG1-CD1 4.01Å; P146-L267 HydrophobicContact CG-CD1 3.75Å; P146-L267 HydrophobicContact CG-CD2 4Å; Q263-L267 WeakPolarHBondContact O-CB 3.12Å; Q263-L267 PolarHBondContact O-N 2.88Å; K265-L267 VanDerWaalsContact C-N 3.34Å; K265-L267 PolarHBondContact O-N 3.34Å; L267-I269 VanDerWaalsContact C-N 3.35Å; L267-I269 PolarHBondContact O-N 2.91Å; L267-E270 PolarHBondContact O-N 2.87Å; L267-V271 HydrophobicContact CD1-CG2 4.44Å; L267-V271 VanDerWaalsContact O-CG2 3.24Å; L267-V271 WeakPolarHBondContact O-CG2 3.44Å; L267-V271 PolarHBondContact O-N 2.81Å; L267-L284 HydrophobicContact CD2-CD2 3.88Å; L267-L284 HydrophobicContact CG-CD2 4.32Å; L267-F292 HydrophobicContact CD2-CB 3.81Å; L267-V294 HydrophobicContact CD1-CG2 3.94Å; L267-V294 HydrophobicContact CD2-CG2 4.01Å; L267-V294 HydrophobicContact CG-CG2 3.98Å
268	A	98.7	Very high	97.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.1	-36.7	179.3	0	0	0	0	0	112.6	V225 L227 G264 K265 Q266 S272 V282	V225-A268 HydrophobicContact CB-CB 4.04Å; V225-A268 HydrophobicContact CG1-CB 3.82Å; V225-A268 HydrophobicContact CG2-CB 4.26Å; L227-A268 HydrophobicContact CD1-CB 4.04Å; L227-A268 HydrophobicContact CD2-CB 4.36Å; G264-A268 WeakPolarHBondContact O-CB 3.43Å; G264-A268 PolarHBondContact O-N 3.33Å; K265-A268 PolarHBondContact O-N 2.89Å; Q266-A268 PolarHBondContact O-N 3.38Å; A268-S272 WeakPolarHBondContact O-CB 3.41Å; A268-S272 PolarHBondContact O-N 2.82Å; A268-V282 HydrophobicContact CB-CB 4.32Å; A268-V282 HydrophobicContact CB-CG2 4.48Å
269	I	98.7	Very high	97.8	Very high	38 Å²	38	45.3 Å²	45.3	20%	0.195	25%	0.245	C	C	.	.	H	α-helix	trans	-65.8	-45.1	174.3	-69.4	165	0	0	0	110.6	L227 V232 K265 Q266 L267 S272 N273	L227-I269 HydrophobicContact CD2-CB 4.35Å; L227-I269 HydrophobicContact CD2-CG1 3.76Å; V232-I269 HydrophobicContact CG2-CD1 4.22Å; V232-I269 HydrophobicContact CG2-CG1 4Å; K265-I269 VanDerWaalsContact O-CG1 3.28Å; K265-I269 WeakPolarHBondContact O-CG1 3.45Å; K265-I269 PolarHBondContact O-N 3.19Å; Q266-I269 PolarHBondContact O-N 3.31Å; L267-I269 VanDerWaalsContact C-N 3.35Å; L267-I269 PolarHBondContact O-N 2.91Å; I269-S272 WeakPolarHBondContact O-CB 3.49Å; I269-S272 PolarHBondContact O-N 3.16Å; I269-N273 VanDerWaalsContact O-CG 3.23Å; I269-N273 PolarHBondContact O-N 2.78Å; I269-N273 PolarHBondContact O-ND2 2.8Å
270	E	98.6	Very high	98	Very high	73 Å²	73	39 Å²	39	34%	0.341	20%	0.204	S	C	.	.	H	α-helix	trans	-58.9	-48.6	177	176.9	171.4	-151.1	0	0	111.6	V145 Q266 L267 S272 N273 I274	V145-E270 HydrophobicContact CG2-CG 4.43Å; Q266-E270 WeakPolarHBondContact O-CB 3.36Å; Q266-E270 PolarHBondContact O-N 2.83Å; L267-E270 PolarHBondContact O-N 2.87Å; E270-S272 VanDerWaalsContact C-N 3.31Å; E270-S272 PolarHBondContact O-N 3.43Å; E270-N273 PolarHBondContact O-N 3.33Å; E270-N273 VanDerWaalsContact O-N 3.12Å; E270-I274 HydrophobicContact CG-CD1 3.63Å; E270-I274 HydrophobicContact CG-CG1 4.4Å; E270-I274 WeakPolarHBondContact O-CG1 3.14Å; E270-I274 PolarHBondContact O-N 3.17Å
271	V	98.6	Very high	98	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-55.6	-46.1	174.2	169.7	0	0	0	0	111.3	L140 V145 L267 N273 L275 V282 V294 A297	L140-V271 HydrophobicContact CD1-CG1 4.34Å; L140-V271 HydrophobicContact CD1-CG2 4.46Å; L140-V271 HydrophobicContact CD2-CB 4.24Å; L140-V271 HydrophobicContact CD2-CG1 4.08Å; L140-V271 HydrophobicContact CD2-CG2 4.04Å; V145-V271 HydrophobicContact CG1-CG2 4.09Å; L267-V271 HydrophobicContact CD1-CG2 4.44Å; L267-V271 VanDerWaalsContact O-CG2 3.24Å; L267-V271 WeakPolarHBondContact O-CG2 3.44Å; L267-V271 PolarHBondContact O-N 2.81Å; V271-N273 VanDerWaalsContact C-N 3.31Å; V271-N273 PolarHBondContact O-N 3.09Å; V271-L275 HydrophobicContact CG1-CD1 3.79Å; V271-L275 WeakPolarHBondContact O-CB 3.39Å; V271-L275 VanDerWaalsContact O-CG 3.31Å; V271-L275 WeakPolarHBondContact O-CG 3.12Å; V271-L275 PolarHBondContact O-N 2.84Å; V271-L275 VanDerWaalsContact O-N 3.08Å; V271-V282 HydrophobicContact CB-CG1 4.48Å; V271-V282 HydrophobicContact CB-CG2 4.25Å; V271-V282 HydrophobicContact CG1-CG1 4.18Å; V271-V282 HydrophobicContact CG1-CG2 3.78Å; V271-V294 HydrophobicContact CG2-CG1 4.25Å; V271-V294 HydrophobicContact CG2-CG2 3.6Å; V271-A297 HydrophobicContact CG1-CB 4.06Å
272	S	98.4	Very high	98.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.4	-41.8	177.9	-166.6	0	0	0	0	112	A268 I269 E270 G276 M277 C280	A268-S272 WeakPolarHBondContact O-CB 3.41Å; A268-S272 PolarHBondContact O-N 2.82Å; I269-S272 WeakPolarHBondContact O-CB 3.49Å; I269-S272 PolarHBondContact O-N 3.16Å; E270-S272 VanDerWaalsContact C-N 3.31Å; E270-S272 PolarHBondContact O-N 3.43Å; S272-G276 PolarHBondContact O-N 2.67Å; S272-M277 PolarHBondContact O-N 3.15Å; S272-M277 PolarHBondContact OG-O 3.44Å; S272-C280 PolarHBondContact OG-SG 3.41Å; S272-C280 VanDerWaalsContact OG-SG 3.35Å
273	N	98.1	Very high	98.1	Very high	100 Å²	100	29.7 Å²	29.7	54%	0.535	16%	0.155	S	C	.	.	H	α-helix	trans	-70.6	-46.8	-178.6	-70.4	-23.5	0	0	0	112.1	I269 E270 V271 L275 G276	I269-N273 VanDerWaalsContact O-CG 3.23Å; I269-N273 PolarHBondContact O-N 2.78Å; I269-N273 PolarHBondContact O-ND2 2.8Å; E270-N273 PolarHBondContact O-N 3.33Å; E270-N273 VanDerWaalsContact O-N 3.12Å; V271-N273 VanDerWaalsContact C-N 3.31Å; V271-N273 PolarHBondContact O-N 3.09Å; N273-L275 VanDerWaalsContact C-N 3.3Å; N273-L275 PolarHBondContact O-N 3.26Å; N273-G276 PolarHBondContact O-N 3.43Å; N273-G276 VanDerWaalsContact O-N 3.08Å
274	I	98.3	Very high	98.2	Very high	35 Å²	35	24.4 Å²	24.4	18%	0.179	13%	0.13	C	C	.	.	H	α-helix	trans	-58.6	-45.8	177.9	-68.3	161.7	0	0	0	110.2	L140 H143 V145 E270 G276	L140-I274 HydrophobicContact CD2-CB 4.22Å; L140-I274 HydrophobicContact CD2-CD1 4.19Å; L140-I274 HydrophobicContact CD2-CG2 4.07Å; H143-I274 HydrophobicContact CB-CD1 3.53Å; H143-I274 HydrophobicContact CB-CG1 4.2Å; V145-I274 HydrophobicContact CG2-CD1 3.52Å; E270-I274 HydrophobicContact CG-CD1 3.63Å; E270-I274 HydrophobicContact CG-CG1 4.4Å; E270-I274 WeakPolarHBondContact O-CG1 3.14Å; E270-I274 PolarHBondContact O-N 3.17Å; I274-G276 PolarHBondContact O-N 2.63Å
275	L	97.7	Very high	98.2	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-2.7	-179.1	-59.8	174.3	0	0	0	113	A126 N129 T136 E139 L140 V271 N273 M277 A297	A126-L275 VanDerWaalsContact CA-O 3.28Å; A126-L275 WeakPolarHBondContact CA-O 3.35Å; A126-L275 VanDerWaalsContact CB-O 3.26Å; A126-L275 WeakPolarHBondContact CB-O 2.95Å; N129-L275 HydrophobicContact CB-CD2 4.04Å; T136-L275 HydrophobicContact CG2-CD1 3.68Å; T136-L275 HydrophobicContact CG2-CD2 4.11Å; E139-L275 HydrophobicContact CB-CD2 3.86Å; E139-L275 HydrophobicContact CG-CD2 4.41Å; L140-L275 HydrophobicContact CD1-CD1 4.48Å; L140-L275 HydrophobicContact CD2-CD1 4.18Å; L140-L275 HydrophobicContact CD2-CD2 4.27Å; L140-L275 HydrophobicContact CD2-CG 4.02Å; L140-L275 HydrophobicContact CG-CD1 4.48Å; L140-L275 HydrophobicContact CG-CD2 4.36Å; V271-L275 HydrophobicContact CG1-CD1 3.79Å; V271-L275 WeakPolarHBondContact O-CB 3.39Å; V271-L275 VanDerWaalsContact O-CG 3.31Å; V271-L275 WeakPolarHBondContact O-CG 3.12Å; V271-L275 PolarHBondContact O-N 2.84Å; V271-L275 VanDerWaalsContact O-N 3.08Å; N273-L275 VanDerWaalsContact C-N 3.3Å; N273-L275 PolarHBondContact O-N 3.26Å; L275-M277 VanDerWaalsContact C-N 3.28Å; L275-M277 HydrophobicContact CB-CE 3.97Å; L275-M277 HydrophobicContact CB-CG 4.04Å; L275-M277 HydrophobicContact CB-SD 4.42Å; L275-M277 HydrophobicContact CD1-CE 3.75Å; L275-M277 HydrophobicContact CG-CE 4.48Å; L275-M277 PolarHBondContact O-N 3.03Å; L275-A297 HydrophobicContact CD1-CB 3.51Å
276	G	97	Very high	98.1	Very high	40 Å²	40	26.3 Å²	26.3	41%	0.412	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	27.7	178.8	0	0	0	0	0	114.3	A126 S272 N273 I274	A126-G276 WeakPolarHBondContact CB-O 3.32Å; S272-G276 PolarHBondContact O-N 2.67Å; N273-G276 PolarHBondContact O-N 3.43Å; N273-G276 VanDerWaalsContact O-N 3.08Å; I274-G276 PolarHBondContact O-N 2.63Å
277	M	97.7	Very high	98	Very high	5 Å²	5	23.3 Å²	23.3	3%	0.025	13%	0.128	C	C	.	.			trans	-87.7	132.4	-177.6	-61.8	-175	-66.6	0	0	111.2	A126 C130 S272 L275 C280 A297 A299	A126-M277 HydrophobicContact CB-CG 4.21Å; C130-M277 PolarHBondContact SG-SD 2.99Å; S272-M277 PolarHBondContact O-N 3.15Å; S272-M277 PolarHBondContact OG-O 3.44Å; L275-M277 VanDerWaalsContact C-N 3.28Å; L275-M277 HydrophobicContact CB-CE 3.97Å; L275-M277 HydrophobicContact CB-CG 4.04Å; L275-M277 HydrophobicContact CB-SD 4.42Å; L275-M277 HydrophobicContact CD1-CE 3.75Å; L275-M277 HydrophobicContact CG-CE 4.48Å; L275-M277 PolarHBondContact O-N 3.03Å; M277-C280 HydrophobicContact CB-CB 3.76Å; M277-C280 HydrophobicContact CE-CB 3.5Å; M277-C280 VanDerWaalsContact CE-SG 3.6Å; M277-C280 HydrophobicContact CG-CB 4.19Å; M277-C280 HydrophobicContact SD-CB 3.37Å; M277-C280 WeakPolarHBondContact SD-CB 3.41Å; M277-A297 HydrophobicContact CE-CB 4.01Å; M277-A299 HydrophobicContact SD-CB 4.11Å
278	D	98.3	Very high	97.8	Very high	20 Å²	20	29.2 Å²	29.2	11%	0.107	16%	0.159	C	C	.	.	S	Bend	trans	-90.8	-40.8	172.5	-65.1	-60.2	0	0	0	112.1	R119 I121 N122 V228 G229 F321	R119-D278 IonicContact CZ-OD1 2.81Å; R119-D278 IonicContact CZ-OD2 2.72Å; R119-D278 VanDerWaalsContact CZ-OD2 3.3Å; R119-D278 IonicContact NH1-OD1 2.68Å; R119-D278 IonicContact NH1-OD2 2.66Å; R119-D278 PolarHBondContact NH1-OD2 3.06Å; R119-D278 IonicContact NH2-OD1 3.77Å; R119-D278 PolarHBondContact NH2-OD1 3.32Å; R119-D278 IonicContact NH2-OD2 3.69Å; R119-D278 PolarHBondContact NH2-OD2 2.66Å; I121-D278 HydrophobicContact CG2-CB 3.75Å; N122-D278 WeakPolarHBondContact OD1-CA 3.4Å; N122-D278 WeakPolarHBondContact OD1-CB 3.48Å; N122-D278 PolarHBondContact OD1-N 3.14Å; V228-D278 CarbonylContact C-O 3.5Å; V228-D278 VanDerWaalsContact CA-O 3.24Å; V228-D278 WeakPolarHBondContact CA-O 3.43Å; G229-D278 PolarHBondContact N-O 3.29Å; D278-F321 HydrophobicContact CB-CE1 3.76Å; D278-F321 HydrophobicContact CB-CZ 4.16Å
279	V	98.4	Very high	97.6	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.012	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	113.5	177.5	178.8	0	0	0	0	107.9	I121 N122 L227 V228 V301 I318	I121-V279 HydrophobicContact CG2-CG2 3.8Å; N122-V279 PolarHBondContact ND2-O 3.37Å; N122-V279 PolarHBondContact OD1-N 3.29Å; L227-V279 WeakPolarHBondContact O-CA 3.26Å; V228-V279 HydrophobicContact CG1-CG2 4.32Å; V228-V279 HydrophobicContact CG2-CG1 4.48Å; V279-V301 HydrophobicContact CG1-CG1 4.23Å; V279-I318 HydrophobicContact CG1-CD1 3.69Å; V279-I318 HydrophobicContact CG1-CG1 3.96Å; V279-I318 HydrophobicContact CG2-CG1 4.09Å; V279-I318 HydrophobicContact CG2-CG2 4.23Å
280	C	97.8	Very high	97.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	168.3	-176.5	63.8	0	0	0	0	114.1	V226 L227 S272 M277 N298	V226-C280 WeakPolarHBondContact CA-O 3.03Å; L227-C280 PolarHBondContact N-O 2.8Å; L227-C280 PolarHBondContact O-N 2.53Å; S272-C280 PolarHBondContact OG-SG 3.41Å; S272-C280 VanDerWaalsContact OG-SG 3.35Å; M277-C280 HydrophobicContact CB-CB 3.76Å; M277-C280 HydrophobicContact CE-CB 3.5Å; M277-C280 VanDerWaalsContact CE-SG 3.6Å; M277-C280 HydrophobicContact CG-CB 4.19Å; M277-C280 HydrophobicContact SD-CB 3.37Å; M277-C280 WeakPolarHBondContact SD-CB 3.41Å; C280-N298 WeakPolarHBondContact CA-O 3.38Å; C280-N298 WeakPolarHBondContact CB-O 3.07Å
281	G	97.5	Very high	97.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	129.7	167.4	0	0	0	0	0	110.2	V225 N298	V225-G281 CarbonylContact O-C 3.59Å; V225-G281 VanDerWaalsContact O-CA 3.23Å; V225-G281 WeakPolarHBondContact O-CA 3.18Å; G281-N298 PolarHBondContact N-O 3.18Å; G281-N298 WeakPolarHBondContact O-CB 3.25Å; G281-N298 PolarHBondContact O-N 2.54Å
282	V	98.2	Very high	97.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.6	175.8	-178.3	0	0	0	0	108.2	V225 L227 A268 V271 L284 V294	V225-V282 PolarHBondContact N-O 3.12Å; V225-V282 PolarHBondContact O-N 2.83Å; L227-V282 HydrophobicContact CD1-CB 4.48Å; L227-V282 HydrophobicContact CD1-CG2 3.91Å; A268-V282 HydrophobicContact CB-CB 4.32Å; A268-V282 HydrophobicContact CB-CG2 4.48Å; V271-V282 HydrophobicContact CB-CG1 4.48Å; V271-V282 HydrophobicContact CB-CG2 4.25Å; V271-V282 HydrophobicContact CG1-CG1 4.18Å; V271-V282 HydrophobicContact CG1-CG2 3.78Å; V282-L284 HydrophobicContact CG1-CD2 3.73Å; V282-L284 HydrophobicContact CG1-CG 4.3Å; V282-V294 HydrophobicContact CG1-CG1 4.17Å
283	D	97.6	Very high	97.3	Very high	5 Å²	5	33.6 Å²	33.6	3%	0.027	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	122.3	173	-74.4	-14.1	0	0	0	109.2	R224 R238 C295 E296	R224-D283 WeakPolarHBondContact CD-OD1 3.22Å; R224-D283 IonicContact CZ-OD1 3.15Å; R224-D283 IonicContact CZ-OD2 2.68Å; R224-D283 IonicContact NE-OD1 3.39Å; R224-D283 PolarHBondContact NE-OD1 2.91Å; R224-D283 IonicContact NE-OD2 2.68Å; R224-D283 IonicContact NH1-OD1 2.8Å; R224-D283 IonicContact NH2-OD1 3.3Å; R224-D283 PolarHBondContact NH2-OD1 2.84Å; R224-D283 IonicContact NH2-OD2 3.63Å; R224-D283 PolarHBondContact NH2-OD2 2.89Å; R238-D283 IonicContact CZ-OD1 3.29Å; R238-D283 IonicContact CZ-OD2 3.78Å; R238-D283 IonicContact NH2-OD1 3.03Å; R238-D283 PolarHBondContact NH2-OD1 3.36Å; R238-D283 IonicContact NH2-OD2 2.99Å; R238-D283 PolarHBondContact NH2-OD2 3.26Å; D283-C295 HydrophobicContact CB-CB 4.3Å; D283-C295 PolarHBondContact O-N 3.48Å; D283-E296 HydrophobicContact CB-CB 4.1Å; D283-E296 PolarHBondContact N-O 2.92Å; D283-E296 PolarHBondContact O-N 3.13Å
284	L	98.4	Very high	97.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	140.9	178	-57.5	179.9	0	0	0	110.3	D222 V223 V225 L260 L267 V282 F292 V293 V294	D222-L284 WeakPolarHBondContact CA-O 3.12Å; V223-L284 HydrophobicContact CB-CB 4.46Å; V223-L284 PolarHBondContact N-O 3.17Å; V223-L284 PolarHBondContact O-N 3.27Å; V225-L284 HydrophobicContact CG2-CD1 3.85Å; V225-L284 HydrophobicContact CG2-CG 4.27Å; L260-L284 HydrophobicContact CD1-CD1 4.38Å; L260-L284 HydrophobicContact CD2-CD1 4.49Å; L267-L284 HydrophobicContact CD2-CD2 3.88Å; L267-L284 HydrophobicContact CG-CD2 4.32Å; V282-L284 HydrophobicContact CG1-CD2 3.73Å; V282-L284 HydrophobicContact CG1-CG 4.3Å; L284-F292 HydrophobicContact CB-CB 4.28Å; L284-F292 HydrophobicContact CB-CD1 3.78Å; L284-F292 HydrophobicContact CB-CG 4.33Å; L284-F292 HydrophobicContact CD1-CB 4.31Å; L284-F292 HydrophobicContact CD1-CD1 4.23Å; L284-F292 HydrophobicContact CD1-CG 4.21Å; L284-V293 WeakPolarHBondContact CA-O 3.48Å; L284-V294 HydrophobicContact CD2-CG2 3.95Å
285	L	97.9	Very high	97.2	Very high	22 Å²	22	28.1 Å²	28.1	12%	0.115	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	134.8	168.9	-59.9	169.7	0	0	0	108.4	V215 S218 D222 F292 V293 C295	V215-L285 HydrophobicContact CB-CB 4.45Å; V215-L285 HydrophobicContact CB-CD1 4.05Å; V215-L285 HydrophobicContact CG1-CB 4.23Å; V215-L285 HydrophobicContact CG2-CD1 3.88Å; S218-L285 WeakPolarHBondContact OG-CA 3.33Å; S218-L285 WeakPolarHBondContact OG-CD2 3.47Å; D222-L285 HydrophobicContact CB-CD2 3.89Å; L285-F292 VanDerWaalsContact O-CA 3.31Å; L285-F292 WeakPolarHBondContact O-CA 3.41Å; L285-V293 HydrophobicContact CB-CG2 3.88Å; L285-V293 PolarHBondContact N-O 2.91Å; L285-V293 PolarHBondContact O-N 3.14Å; L285-C295 HydrophobicContact CD1-CB 3.74Å; L285-C295 HydrophobicContact CD2-CB 4.36Å; L285-C295 HydrophobicContact CG-CB 3.69Å
286	Q	97.1	Very high	97	Very high	85 Å²	85	29.6 Å²	29.6	40%	0.397	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	133.8	-177.1	-168	174.3	27.7	0	0	110.6	S218 F292	S218-Q286 PolarHBondContact OG-N 3.45Å; Q286-F292 HydrophobicContact CB-CD1 4.08Å; Q286-F292 HydrophobicContact CB-CE1 3.79Å; Q286-F292 HydrophobicContact CG-CD1 4.32Å; Q286-F292 HydrophobicContact CG-CE1 3.84Å; Q286-F292 HydrophobicContact CG-CZ 4.19Å
287	L	97	Very high	97	Very high	51 Å²	51	28 Å²	28	27%	0.267	16%	0.156	S	C	.	.			trans	-92.4	166.2	174.6	-57.6	-173	0	0	0	111.3	V215 D289 G290 S291 V293	V215-L287 HydrophobicContact CG1-CD2 3.48Å; V215-L287 VanDerWaalsContact CG1-CD2 3.48Å; L287-D289 WeakPolarHBondContact CB-OD1 3.31Å; L287-D289 PolarHBondContact O-N 3.41Å; L287-G290 PolarHBondContact O-N 2.81Å; L287-S291 PolarHBondContact N-O 3.43Å; L287-V293 HydrophobicContact CD1-CG1 3.97Å; L287-V293 HydrophobicContact CD2-CG1 4.45Å; L287-V293 HydrophobicContact CD2-CG2 4.45Å; L287-V293 HydrophobicContact CG-CG1 4.36Å
288	N	94.6	Very high	96.8	Very high	136 Å²	136	28.9 Å²	28.9	73%	0.727	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-29.2	-178.4	-76.1	-35.5	0	0	0	113.8	E217 G290	E217-N288 HydrophobicContact CG-CB 4.15Å; E217-N288 WeakPolarHBondContact CG-ND2 3.37Å; E217-N288 WeakPolarHBondContact CG-OD1 3.18Å; E217-N288 PolarHBondContact OE1-ND2 2.97Å; N288-G290 PolarHBondContact O-N 3.15Å
289	D	94.5	Very high	96.7	Very high	128 Å²	128	28.2 Å²	28.2	68%	0.684	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	1.1	177.5	68	-6.3	0	0	0	112.9	L287 S291	L287-D289 WeakPolarHBondContact CB-OD1 3.31Å; L287-D289 PolarHBondContact O-N 3.41Å; D289-S291 VanDerWaalsContact C-N 3.3Å; D289-S291 VanDerWaalsContact CG-OG 3.31Å; D289-S291 VanDerWaalsContact OD1-CB 3.24Å; D289-S291 WeakPolarHBondContact OD1-CB 3.3Å; D289-S291 PolarHBondContact OD1-N 3.22Å; D289-S291 PolarHBondContact OD1-OG 3.08Å; D289-S291 PolarHBondContact OD2-OG 3.23Å
290	G	93.2	Very high	96.4	Very high	29 Å²	29	29.6 Å²	29.6	30%	0.299	17%	0.165	S	C	.	.	S	Bend	trans	84.2	-2.8	-178.6	0	0	0	0	0	114.5	L287 N288 F292	L287-G290 PolarHBondContact O-N 2.81Å; N288-G290 PolarHBondContact O-N 3.15Å; G290-F292 WeakPolarHBondContact O-CE2 3.41Å
291	S	96.9	Very high	96.2	Very high	20 Å²	20	29.7 Å²	29.7	14%	0.14	17%	0.166	C	C	.	.			trans	-75.7	174.7	173.5	74.2	0	0	0	0	111.8	L287 D289	L287-S291 PolarHBondContact N-O 3.43Å; D289-S291 VanDerWaalsContact C-N 3.3Å; D289-S291 VanDerWaalsContact CG-OG 3.31Å; D289-S291 VanDerWaalsContact OD1-CB 3.24Å; D289-S291 WeakPolarHBondContact OD1-CB 3.3Å; D289-S291 PolarHBondContact OD1-N 3.22Å; D289-S291 PolarHBondContact OD1-OG 3.08Å; D289-S291 PolarHBondContact OD2-OG 3.23Å
292	F	98.3	Very high	95.9	Very high	12 Å²	12	32 Å²	32	5%	0.053	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	145.7	-174.4	-63.3	-86	0	0	0	112.1	P146 V223 L260 L267 L284 L285 Q286 G290	P146-F292 WeakPolarHBondContact CG-O 3.34Å; V223-F292 HydrophobicContact CG2-CE1 4.32Å; L260-F292 HydrophobicContact CD1-CE1 4.22Å; L260-F292 HydrophobicContact CD1-CE2 4.1Å; L260-F292 HydrophobicContact CD1-CZ 3.77Å; L267-F292 HydrophobicContact CD2-CB 3.81Å; L284-F292 HydrophobicContact CB-CB 4.28Å; L284-F292 HydrophobicContact CB-CD1 3.78Å; L284-F292 HydrophobicContact CB-CG 4.33Å; L284-F292 HydrophobicContact CD1-CB 4.31Å; L284-F292 HydrophobicContact CD1-CD1 4.23Å; L284-F292 HydrophobicContact CD1-CG 4.21Å; L285-F292 VanDerWaalsContact O-CA 3.31Å; L285-F292 WeakPolarHBondContact O-CA 3.41Å; Q286-F292 HydrophobicContact CB-CD1 4.08Å; Q286-F292 HydrophobicContact CB-CE1 3.79Å; Q286-F292 HydrophobicContact CG-CD1 4.32Å; Q286-F292 HydrophobicContact CG-CE1 3.84Å; Q286-F292 HydrophobicContact CG-CZ 4.19Å; G290-F292 WeakPolarHBondContact O-CE2 3.41Å
293	V	98.4	Very high	95.6	Very high	15 Å²	15	32 Å²	32	9%	0.091	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	148.4	165.6	-61.6	0	0	0	0	109.6	P146 P148 V215 L284 L285 L287	P146-V293 HydrophobicContact CB-CG1 4.21Å; P146-V293 WeakPolarHBondContact O-CA 3.44Å; P148-V293 HydrophobicContact CG-CB 4.36Å; P148-V293 HydrophobicContact CG-CG2 3.86Å; V215-V293 HydrophobicContact CG2-CG2 4.05Å; L284-V293 WeakPolarHBondContact CA-O 3.48Å; L285-V293 HydrophobicContact CB-CG2 3.88Å; L285-V293 PolarHBondContact N-O 2.91Å; L285-V293 PolarHBondContact O-N 3.14Å; L287-V293 HydrophobicContact CD1-CG1 3.97Å; L287-V293 HydrophobicContact CD2-CG1 4.45Å; L287-V293 HydrophobicContact CD2-CG2 4.45Å; L287-V293 HydrophobicContact CG-CG1 4.36Å
294	V	98.4	Very high	95.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	124.5	-178.7	-178.4	0	0	0	0	110	L140 V145 P146 L147 P148 L267 V271 V282 L284	L140-V294 HydrophobicContact CD1-CG1 4.07Å; V145-V294 HydrophobicContact CG1-CB 4.34Å; V145-V294 HydrophobicContact CG1-CG2 3.65Å; P146-V294 PolarHBondContact O-N 3.25Å; L147-V294 HydrophobicContact CD2-CB 3.81Å; L147-V294 HydrophobicContact CD2-CG1 4.43Å; P148-V294 WeakPolarHBondContact CD-O 3.05Å; L267-V294 HydrophobicContact CD1-CG2 3.94Å; L267-V294 HydrophobicContact CD2-CG2 4.01Å; L267-V294 HydrophobicContact CG-CG2 3.98Å; V271-V294 HydrophobicContact CG2-CG1 4.25Å; V271-V294 HydrophobicContact CG2-CG2 3.6Å; V282-V294 HydrophobicContact CG1-CG1 4.17Å; L284-V294 HydrophobicContact CD2-CG2 3.95Å
295	C	95.9	Very high	94.7	Very high	19 Å²	19	37.2 Å²	37.2	13%	0.128	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-39.1	-180	177.8	0	0	0	0	112.9	F137 K177 D283 L285	F137-C295 VanDerWaalsContact CZ-O 3.31Å; F137-C295 WeakPolarHBondContact CZ-O 3.49Å; K177-C295 PolarHBondContact NZ-SG 3.11Å; K177-C295 VanDerWaalsContact NZ-SG 3.41Å; D283-C295 HydrophobicContact CB-CB 4.3Å; D283-C295 PolarHBondContact O-N 3.48Å; L285-C295 HydrophobicContact CD1-CB 3.74Å; L285-C295 HydrophobicContact CD2-CB 4.36Å; L285-C295 HydrophobicContact CG-CB 3.69Å
296	E	94.6	Very high	94.5	Very high	33 Å²	33	36.2 Å²	36.2	15%	0.154	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	148.2	-179.3	-163.1	176.1	114.5	0	0	111.1	K133 D283 N298	K133-E296 WeakPolarHBondContact CE-OE2 3.22Å; D283-E296 HydrophobicContact CB-CB 4.1Å; D283-E296 PolarHBondContact N-O 2.92Å; D283-E296 PolarHBondContact O-N 3.13Å; E296-N298 PolarHBondContact OE1-ND2 2.79Å; E296-N298 PolarHBondContact OE1-OD1 3.34Å
297	A	95.9	Very high	94.2	Very high	5 Å²	5	33.3 Å²	33.3	4%	0.041	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	137.5	169.3	0	0	0	0	0	110.1	T136 V271 L275 M277	T136-A297 HydrophobicContact CG2-CB 3.92Å; V271-A297 HydrophobicContact CG1-CB 4.06Å; L275-A297 HydrophobicContact CD1-CB 3.51Å; M277-A297 HydrophobicContact CE-CB 4.01Å
298	N	94.9	Very high	93.9	Very high	25 Å²	25	38.3 Å²	38.3	13%	0.134	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	108.5	-172	-78.3	-81.7	0	0	0	112.1	R224 C280 G281 E296 N300	R224-N298 PolarHBondContact NH1-ND2 3.39Å; R224-N298 VanDerWaalsContact NH1-ND2 3.14Å; R224-N298 PolarHBondContact NH2-ND2 2.99Å; C280-N298 WeakPolarHBondContact CA-O 3.38Å; C280-N298 WeakPolarHBondContact CB-O 3.07Å; G281-N298 PolarHBondContact N-O 3.18Å; G281-N298 WeakPolarHBondContact O-CB 3.25Å; G281-N298 PolarHBondContact O-N 2.54Å; E296-N298 PolarHBondContact OE1-ND2 2.79Å; E296-N298 PolarHBondContact OE1-OD1 3.34Å; N298-N300 VanDerWaalsContact C-N 3.32Å; N298-N300 PolarHBondContact O-N 3.47Å
299	A	94.4	Very high	93.8	Very high	5 Å²	5	33.3 Å²	33.3	4%	0.041	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-21.8	174.8	0	0	0	0	0	114.2	T98 N122 I127 C130 M277	T98-A299 HydrophobicContact CG2-CB 4.45Å; N122-A299 PolarHBondContact ND2-O 3.14Å; I127-A299 HydrophobicContact CG1-CB 4.42Å; C130-A299 HydrophobicContact CB-CB 3.93Å; M277-A299 HydrophobicContact SD-CB 4.11Å
300	N	93	Very high	93.7	Very high	32 Å²	32	28 Å²	28	17%	0.171	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	56.8	175.1	-171.3	39.8	0	0	0	110.3	Q41 R95 V96 T98 N298 G302	Q41-N300 PolarHBondContact NE2-OD1 2.97Å; R95-N300 PolarHBondContact NE-OD1 3.32Å; R95-N300 PolarHBondContact NH2-OD1 3.01Å; V96-N300 VanDerWaalsContact O-CB 3.25Å; V96-N300 WeakPolarHBondContact O-CB 3.41Å; V96-N300 PolarHBondContact O-ND2 3.45Å; T98-N300 WeakPolarHBondContact OG1-CB 3.29Å; N298-N300 VanDerWaalsContact C-N 3.32Å; N298-N300 PolarHBondContact O-N 3.47Å; N300-G302 PolarHBondContact O-N 2.68Å
301	V	93.5	Very high	93.7	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	20%	0.197	C	C	.	.			trans	-57.7	130.5	-176.8	59.3	0	0	0	0	112	R95 V226 V279 F303	R95-V301 PolarHBondContact NH2-O 2.56Å; V226-V301 HydrophobicContact CG2-CG2 4.2Å; V279-V301 HydrophobicContact CG1-CG1 4.23Å; V301-F303 HydrophobicContact CG1-CD1 4.34Å
302	G	91.2	Very high	93.6	Very high	49 Å²	49	31.2 Å²	31.2	51%	0.505	20%	0.201	S	C	.	.			trans	-88.8	138.9	166.3	0	0	0	0	0	110	N300	N300-G302 PolarHBondContact O-N 2.68Å
303	F	92.3	Very high	93.5	Very high	1 Å²	1	35 Å²	35	0%	0.004	22%	0.221	C	C	.	.			trans	-133.8	23.4	-174.3	48.1	-100.9	0	0	0	114.2	Y39 P40 I44 V301 F306 D307 V314 A315 I318	Y39-F303 AromaticContact CE1-CD2 3.67Å; Y39-F303 HydrophobicContact CE1-CD2 3.67Å; Y39-F303 AromaticContact CE1-CE2 3.96Å; Y39-F303 HydrophobicContact CE1-CE2 3.96Å; Y39-F303 HydrophobicContact CE1-CG 4.43Å; Y39-F303 WeakPolarHBondContact OH-CD2 3.36Å; P40-F303 HydrophobicContact CB-CD1 4.03Å; P40-F303 HydrophobicContact CB-CD2 3.9Å; P40-F303 HydrophobicContact CB-CE1 3.51Å; P40-F303 HydrophobicContact CB-CE2 3.35Å; P40-F303 HydrophobicContact CB-CG 4.22Å; P40-F303 HydrophobicContact CB-CZ 3.17Å; P40-F303 HydrophobicContact CG-CD1 3.92Å; P40-F303 HydrophobicContact CG-CE1 3.53Å; P40-F303 HydrophobicContact CG-CE2 4.28Å; P40-F303 HydrophobicContact CG-CG 4.47Å; P40-F303 HydrophobicContact CG-CZ 3.77Å; I44-F303 HydrophobicContact CD1-CE1 4Å; I44-F303 HydrophobicContact CD1-CZ 3.76Å; I44-F303 HydrophobicContact CG1-CE1 4.48Å; I44-F303 HydrophobicContact CG1-CZ 3.75Å; V301-F303 HydrophobicContact CG1-CD1 4.34Å; F303-F306 HydrophobicContact CB-CB 3.96Å; F303-F306 HydrophobicContact CB-CD1 4.41Å; F303-F306 HydrophobicContact CB-CG 4.49Å; F303-F306 PolarHBondContact O-N 2.88Å; F303-D307 WeakPolarHBondContact CD2-OD1 3.33Å; F303-D307 WeakPolarHBondContact O-CB 3.34Å; F303-D307 PolarHBondContact O-N 3.07Å; F303-V314 HydrophobicContact CB-CG1 4.48Å; F303-V314 HydrophobicContact CD1-CG1 3.84Å; F303-V314 HydrophobicContact CD2-CB 3.76Å; F303-V314 HydrophobicContact CD2-CG1 3.92Å; F303-V314 HydrophobicContact CE1-CG1 3.86Å; F303-V314 HydrophobicContact CE2-CB 3.88Å; F303-V314 HydrophobicContact CE2-CG1 3.95Å; F303-V314 HydrophobicContact CG-CB 4.1Å; F303-V314 HydrophobicContact CG-CG1 3.84Å; F303-V314 HydrophobicContact CZ-CB 4.31Å; F303-V314 HydrophobicContact CZ-CG1 3.87Å; F303-A315 HydrophobicContact CE2-CB 4.31Å; F303-I318 HydrophobicContact CE1-CD1 3.61Å; F303-I318 HydrophobicContact CZ-CD1 3.71Å
304	I	87.6	Confident	93.4	Very high	82 Å²	82	34.2 Å²	34.2	42%	0.421	22%	0.217	S	C	.	.	H	α-helix	trans	-55.3	-61.8	176	-58.1	166.7	0	0	0	111	Y39 F306 Q308	Y39-I304 HydrophobicContact CD1-CB 3.96Å; Y39-I304 HydrophobicContact CD1-CD1 3.91Å; Y39-I304 HydrophobicContact CD1-CG1 2.92Å; Y39-I304 HydrophobicContact CD2-CG1 4Å; Y39-I304 VanDerWaalsContact CE1-CA 3.42Å; Y39-I304 HydrophobicContact CE1-CB 3.99Å; Y39-I304 HydrophobicContact CE1-CG1 3.44Å; Y39-I304 VanDerWaalsContact CE1-CG1 3.44Å; Y39-I304 VanDerWaalsContact CE1-N 3.3Å; Y39-I304 HydrophobicContact CE2-CG1 4.43Å; Y39-I304 HydrophobicContact CG-CB 4.44Å; Y39-I304 HydrophobicContact CG-CD1 3.97Å; Y39-I304 HydrophobicContact CG-CG1 3.3Å; I304-F306 PolarHBondContact O-N 2.92Å; I304-Q308 WeakPolarHBondContact O-CG 3.49Å; I304-Q308 PolarHBondContact O-N 3.3Å
305	A	88.9	Confident	93.4	Very high	31 Å²	31	34.4 Å²	34.4	26%	0.256	22%	0.218	S	C	.	.	H	α-helix	trans	-67	-29	-178.4	0	0	0	0	0	111	M236 C249 A309	M236-A305 HydrophobicContact CE-CB 4.31Å; M236-A305 HydrophobicContact SD-CB 4.42Å; C249-A305 HydrophobicContact CB-CB 4.03Å; A305-A309 WeakPolarHBondContact O-CB 3.3Å; A305-A309 PolarHBondContact O-N 3.03Å
306	F	93.3	Very high	93.5	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.009	21%	0.214	C	C	.	.	H	α-helix	trans	-69.6	-49.5	179.7	-176.6	-83.4	0	0	0	112	R224 V226 G234 M236 F303 I304 Q308 A309 C310 I312 V314	R224-F306 HydrophobicContact CG-CD2 4.34Å; V226-F306 HydrophobicContact CB-CD1 4.49Å; V226-F306 HydrophobicContact CB-CE1 3.98Å; V226-F306 HydrophobicContact CB-CE2 4.06Å; V226-F306 HydrophobicContact CB-CZ 3.73Å; V226-F306 HydrophobicContact CG2-CD1 3.97Å; V226-F306 HydrophobicContact CG2-CD2 3.64Å; V226-F306 HydrophobicContact CG2-CE1 3.91Å; V226-F306 HydrophobicContact CG2-CE2 3.57Å; V226-F306 HydrophobicContact CG2-CG 3.84Å; V226-F306 HydrophobicContact CG2-CZ 3.7Å; G234-F306 WeakPolarHBondContact O-CZ 3.42Å; M236-F306 HydrophobicContact CB-CD2 3.64Å; M236-F306 HydrophobicContact CB-CE2 4.01Å; M236-F306 HydrophobicContact CE-CB 4.05Å; M236-F306 HydrophobicContact CE-CD2 4.32Å; M236-F306 HydrophobicContact SD-CB 4.32Å; F303-F306 HydrophobicContact CB-CB 3.96Å; F303-F306 HydrophobicContact CB-CD1 4.41Å; F303-F306 HydrophobicContact CB-CG 4.49Å; F303-F306 PolarHBondContact O-N 2.88Å; I304-F306 PolarHBondContact O-N 2.92Å; F306-Q308 VanDerWaalsContact C-N 3.28Å; F306-Q308 PolarHBondContact O-N 2.86Å; F306-A309 PolarHBondContact O-N 2.85Å; F306-C310 HydrophobicContact CE1-CB 4.37Å; F306-C310 VanDerWaalsContact O-CB 3.31Å; F306-C310 WeakPolarHBondContact O-CB 3.33Å; F306-C310 PolarHBondContact O-N 2.89Å; F306-C310 PolarHBondContact O-SG 2.85Å; F306-C310 VanDerWaalsContact O-SG 3.33Å; F306-I312 HydrophobicContact CE1-CD1 4.39Å; F306-V314 HydrophobicContact CD1-CG2 3.89Å; F306-V314 HydrophobicContact CE1-CG2 3.85Å
307	D	91.8	Very high	93.7	Very high	23 Å²	23	34.9 Å²	34.9	12%	0.123	22%	0.221	C	C	.	.	H	α-helix	trans	-57.9	-44.2	176.1	-83.1	22	0	0	0	110.6	Y39 F303 G311 I312 V314	Y39-D307 VanDerWaalsContact OH-CG 3.27Å; Y39-D307 PolarHBondContact OH-OD2 2.95Å; F303-D307 WeakPolarHBondContact CD2-OD1 3.33Å; F303-D307 WeakPolarHBondContact O-CB 3.34Å; F303-D307 PolarHBondContact O-N 3.07Å; D307-G311 VanDerWaalsContact O-CA 3.26Å; D307-G311 WeakPolarHBondContact O-CA 3.46Å; D307-G311 PolarHBondContact O-N 3.1Å; D307-I312 WeakPolarHBondContact CB-O 3.31Å; D307-I312 PolarHBondContact O-N 3.28Å; D307-V314 WeakPolarHBondContact OD1-CB 3.42Å; D307-V314 WeakPolarHBondContact OD1-CG2 3.24Å
308	Q	90.4	Very high	93.8	Very high	156 Å²	156	34.7 Å²	34.7	73%	0.729	22%	0.219	S	C	*	.	H	α-helix	trans	-65.1	-46.4	178.2	-70.7	176.3	-13.9	0	0	112.3	I304 F306	I304-Q308 WeakPolarHBondContact O-CG 3.49Å; I304-Q308 PolarHBondContact O-N 3.3Å; F306-Q308 VanDerWaalsContact C-N 3.28Å; F306-Q308 PolarHBondContact O-N 2.86Å
309	A	91.4	Very high	94	Very high	32 Å²	32	33.5 Å²	33.5	26%	0.264	21%	0.213	S	C	.	.	H	α-helix	trans	-69.6	-35.2	-178.1	0	0	0	0	0	112.6	M236 M257 A305 F306	M236-A309 HydrophobicContact CG-CB 4.17Å; M236-A309 HydrophobicContact SD-CB 3.65Å; M257-A309 WeakPolarHBondContact CB-O 3.42Å; A305-A309 WeakPolarHBondContact O-CB 3.3Å; A305-A309 PolarHBondContact O-N 3.03Å; F306-A309 PolarHBondContact O-N 2.85Å
310	C	93.3	Very high	94.2	Very high	17 Å²	17	36.9 Å²	36.9	12%	0.115	23%	0.23	C	C	.	.	H	α-helix	trans	-97.4	-15.1	-175.7	-54.9	0	0	0	0	113.6	F306 I312	F306-C310 HydrophobicContact CE1-CB 4.37Å; F306-C310 VanDerWaalsContact O-CB 3.31Å; F306-C310 WeakPolarHBondContact O-CB 3.33Å; F306-C310 PolarHBondContact O-N 2.89Å; F306-C310 PolarHBondContact O-SG 2.85Å; F306-C310 VanDerWaalsContact O-SG 3.33Å; C310-I312 VanDerWaalsContact C-N 3.32Å; C310-I312 HydrophobicContact CB-CB 4.4Å; C310-I312 HydrophobicContact CB-CD1 3.63Å; C310-I312 HydrophobicContact CB-CG1 3.75Å
311	G	93.6	Very high	94.4	Very high	73 Å²	73	37.1 Å²	37.1	75%	0.753	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.8	34	-174.2	0	0	0	0	0	113.2	D307	D307-G311 VanDerWaalsContact O-CA 3.26Å; D307-G311 WeakPolarHBondContact O-CA 3.46Å; D307-G311 PolarHBondContact O-N 3.1Å
312	I	94.2	Very high	94.6	Very high	43 Å²	43	37.1 Å²	37.1	22%	0.221	23%	0.229	C	C	.	.			trans	-111.6	137.9	-174.6	-59.4	174.9	0	0	0	109.8	V233 F306 D307 C310 V314 I317	V233-I312 HydrophobicContact CG1-CD1 4.28Å; V233-I312 HydrophobicContact CG1-CG2 3.73Å; V233-I312 WeakPolarHBondContact O-CD1 3.46Å; F306-I312 HydrophobicContact CE1-CD1 4.39Å; D307-I312 WeakPolarHBondContact CB-O 3.31Å; D307-I312 PolarHBondContact O-N 3.28Å; C310-I312 VanDerWaalsContact C-N 3.32Å; C310-I312 HydrophobicContact CB-CB 4.4Å; C310-I312 HydrophobicContact CB-CD1 3.63Å; C310-I312 HydrophobicContact CB-CG1 3.75Å; I312-V314 HydrophobicContact CB-CG2 4.36Å; I312-V314 HydrophobicContact CG2-CG2 3.91Å; I312-V314 PolarHBondContact O-N 3.14Å; I312-I317 HydrophobicContact CG2-CD1 3.54Å
313	D	95.9	Very high	94.9	Very high	90 Å²	90	34.8 Å²	34.8	48%	0.481	21%	0.205	S	C	.	.			trans	-85.2	78.9	168.5	179.6	15.5	0	0	0	110.5	A315 G316 I317	D313-A315 VanDerWaalsContact C-N 3.25Å; D313-A315 PolarHBondContact O-N 3.31Å; D313-A315 PolarHBondContact OD1-N 2.65Å; D313-G316 PolarHBondContact O-N 3.28Å; D313-G316 PolarHBondContact OD1-N 3.35Å; D313-G316 WeakPolarHBondContact OD2-CA 3.19Å; D313-I317 WeakPolarHBondContact O-CG1 3.09Å; D313-I317 PolarHBondContact O-N 3.35Å; D313-I317 VanDerWaalsContact O-N 3.12Å
314	V	97.7	Very high	95.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.2	-32.8	-179.1	174.4	0	0	0	0	111.2	V226 V233 F303 F306 D307 I312 I317 I318	V226-V314 HydrophobicContact CG1-CG1 4.15Å; V233-V314 HydrophobicContact CG1-CG2 4.1Å; F303-V314 HydrophobicContact CB-CG1 4.48Å; F303-V314 HydrophobicContact CD1-CG1 3.84Å; F303-V314 HydrophobicContact CD2-CB 3.76Å; F303-V314 HydrophobicContact CD2-CG1 3.92Å; F303-V314 HydrophobicContact CE1-CG1 3.86Å; F303-V314 HydrophobicContact CE2-CB 3.88Å; F303-V314 HydrophobicContact CE2-CG1 3.95Å; F303-V314 HydrophobicContact CG-CB 4.1Å; F303-V314 HydrophobicContact CG-CG1 3.84Å; F303-V314 HydrophobicContact CZ-CB 4.31Å; F303-V314 HydrophobicContact CZ-CG1 3.87Å; F306-V314 HydrophobicContact CD1-CG2 3.89Å; F306-V314 HydrophobicContact CE1-CG2 3.85Å; D307-V314 WeakPolarHBondContact OD1-CB 3.42Å; D307-V314 WeakPolarHBondContact OD1-CG2 3.24Å; I312-V314 HydrophobicContact CB-CG2 4.36Å; I312-V314 HydrophobicContact CG2-CG2 3.91Å; I312-V314 PolarHBondContact O-N 3.14Å; V314-I317 PolarHBondContact O-N 2.79Å; V314-I318 HydrophobicContact CG1-CD1 3.87Å; V314-I318 HydrophobicContact CG1-CG1 4.33Å; V314-I318 VanDerWaalsContact O-CG1 3.28Å; V314-I318 WeakPolarHBondContact O-CG1 3.32Å; V314-I318 PolarHBondContact O-N 3.08Å
315	A	97.9	Very high	95.5	Very high	3 Å²	3	34.7 Å²	34.7	3%	0.025	21%	0.211	C	C	.	.	H	α-helix	trans	-63.1	-44.7	176.5	0	0	0	0	0	112.1	Q43 I44 A47 F303 D313 I318 A319	Q43-A315 HydrophobicContact CB-CB 3.82Å; I44-A315 HydrophobicContact CG1-CB 4.28Å; A47-A315 HydrophobicContact CB-CB 4.16Å; F303-A315 HydrophobicContact CE2-CB 4.31Å; D313-A315 VanDerWaalsContact C-N 3.25Å; D313-A315 PolarHBondContact O-N 3.31Å; D313-A315 PolarHBondContact OD1-N 2.65Å; A315-I318 PolarHBondContact O-N 3.15Å; A315-A319 PolarHBondContact O-N 2.8Å
316	G	97.9	Very high	95.8	Very high	3 Å²	3	33.3 Å²	33.3	3%	0.031	20%	0.2	C	C	.	.	H	α-helix	trans	-58.1	-46.7	172.1	0	0	0	0	0	112.4	D313 I318 A319 D320	D313-G316 PolarHBondContact O-N 3.28Å; D313-G316 PolarHBondContact OD1-N 3.35Å; D313-G316 WeakPolarHBondContact OD2-CA 3.19Å; G316-I318 VanDerWaalsContact C-N 3.33Å; G316-I318 PolarHBondContact O-N 3.12Å; G316-A319 WeakPolarHBondContact O-CB 3.1Å; G316-A319 PolarHBondContact O-N 3.4Å; G316-A319 VanDerWaalsContact O-N 3.12Å; G316-D320 VanDerWaalsContact O-CG 3.28Å; G316-D320 PolarHBondContact O-N 3.31Å
317	I	98.4	Very high	95.3	Very high	60 Å²	60	36.9 Å²	36.9	31%	0.308	22%	0.223	S	C	.	.	H	α-helix	trans	-61.6	-40.8	178.5	-65.6	167.8	0	0	0	111.7	V228 V233 I312 D313 V314 F321	V228-I317 HydrophobicContact CB-CG2 3.98Å; V228-I317 HydrophobicContact CG1-CG2 4.02Å; V228-I317 HydrophobicContact CG2-CG2 4.19Å; V233-I317 HydrophobicContact CG1-CD1 3.52Å; V233-I317 HydrophobicContact CG2-CG2 4Å; I312-I317 HydrophobicContact CG2-CD1 3.54Å; D313-I317 WeakPolarHBondContact O-CG1 3.09Å; D313-I317 PolarHBondContact O-N 3.35Å; D313-I317 VanDerWaalsContact O-N 3.12Å; V314-I317 PolarHBondContact O-N 2.79Å; I317-F321 WeakPolarHBondContact O-CB 3.46Å; I317-F321 PolarHBondContact O-N 2.86Å
318	I	98.6	Very high	94.2	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-63	-43.1	174.8	-69.9	165.3	0	0	0	110.8	I44 L93 V228 V279 F303 V314 A315 G316 F321 A322	I44-I318 HydrophobicContact CD1-CD1 4.08Å; I44-I318 HydrophobicContact CG1-CD1 4.22Å; I44-I318 HydrophobicContact CG2-CG2 4.34Å; L93-I318 HydrophobicContact CD1-CG2 3.82Å; L93-I318 HydrophobicContact CD2-CG2 3.7Å; L93-I318 HydrophobicContact CG-CG2 4.46Å; V228-I318 HydrophobicContact CG1-CG1 4.33Å; V228-I318 HydrophobicContact CG2-CG1 3.76Å; V279-I318 HydrophobicContact CG1-CD1 3.69Å; V279-I318 HydrophobicContact CG1-CG1 3.96Å; V279-I318 HydrophobicContact CG2-CG1 4.09Å; V279-I318 HydrophobicContact CG2-CG2 4.23Å; F303-I318 HydrophobicContact CE1-CD1 3.61Å; F303-I318 HydrophobicContact CZ-CD1 3.71Å; V314-I318 HydrophobicContact CG1-CD1 3.87Å; V314-I318 HydrophobicContact CG1-CG1 4.33Å; V314-I318 VanDerWaalsContact O-CG1 3.28Å; V314-I318 WeakPolarHBondContact O-CG1 3.32Å; V314-I318 PolarHBondContact O-N 3.08Å; A315-I318 PolarHBondContact O-N 3.15Å; G316-I318 VanDerWaalsContact C-N 3.33Å; G316-I318 PolarHBondContact O-N 3.12Å; I318-F321 PolarHBondContact O-N 3.02Å; I318-A322 WeakPolarHBondContact O-CB 3.47Å; I318-A322 PolarHBondContact O-N 2.86Å
319	A	98.4	Very high	92.6	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.7	-48.1	178.4	0	0	0	0	0	111.7	A47 L48 R51 A315 G316 F321 A322 L323	A47-A319 HydrophobicContact CB-CB 3.94Å; L48-A319 HydrophobicContact CB-CB 4.3Å; L48-A319 HydrophobicContact CD1-CB 4.03Å; R51-A319 HydrophobicContact CB-CB 4.44Å; R51-A319 HydrophobicContact CG-CB 3.89Å; A315-A319 PolarHBondContact O-N 2.8Å; G316-A319 WeakPolarHBondContact O-CB 3.1Å; G316-A319 PolarHBondContact O-N 3.4Å; G316-A319 VanDerWaalsContact O-N 3.12Å; A319-F321 VanDerWaalsContact C-N 3.29Å; A319-F321 PolarHBondContact O-N 3.11Å; A319-A322 PolarHBondContact O-N 3.39Å; A319-A322 VanDerWaalsContact O-N 3.16Å; A319-L323 WeakPolarHBondContact O-CD1 3.37Å; A319-L323 PolarHBondContact O-N 3.16Å
320	D	98.3	Very high	90.6	Very high	75 Å²	75	40.4 Å²	40.4	40%	0.401	24%	0.239	S	C	.	.	H	α-helix	trans	-59.2	-42.4	177.1	-66.9	-17.2	0	0	0	111.1	R51 G316 S324	R51-D320 VanDerWaalsContact CD-OD1 3.23Å; R51-D320 WeakPolarHBondContact CD-OD1 3.31Å; R51-D320 IonicContact NE-OD1 2.9Å; R51-D320 PolarHBondContact NE-OD1 3.17Å; G316-D320 VanDerWaalsContact O-CG 3.28Å; G316-D320 PolarHBondContact O-N 3.31Å; D320-S324 WeakPolarHBondContact O-CB 3.06Å; D320-S324 PolarHBondContact O-N 3.34Å
321	F	98.4	Very high	88.2	Confident	38 Å²	38	44.2 Å²	44.2	17%	0.167	26%	0.261	C	S	.	.	H	α-helix	trans	-61.8	-48.7	174.4	173.6	-106.2	0	0	0	111.5	I121 V228 D278 I317 I318 A319 L323 S324 T325	I121-F321 HydrophobicContact CD1-CD1 4.09Å; I121-F321 HydrophobicContact CD1-CE1 3.76Å; I121-F321 HydrophobicContact CG1-CE1 4.18Å; I121-F321 HydrophobicContact CG2-CD1 4.37Å; I121-F321 HydrophobicContact CG2-CE1 4.04Å; V228-F321 HydrophobicContact CG1-CB 3.55Å; V228-F321 HydrophobicContact CG1-CD1 4Å; V228-F321 HydrophobicContact CG1-CG 3.77Å; D278-F321 HydrophobicContact CB-CE1 3.76Å; D278-F321 HydrophobicContact CB-CZ 4.16Å; I317-F321 WeakPolarHBondContact O-CB 3.46Å; I317-F321 PolarHBondContact O-N 2.86Å; I318-F321 PolarHBondContact O-N 3.02Å; A319-F321 VanDerWaalsContact C-N 3.29Å; A319-F321 PolarHBondContact O-N 3.11Å; F321-L323 PolarHBondContact O-N 3.08Å; F321-S324 WeakPolarHBondContact O-CB 3.45Å; F321-S324 PolarHBondContact O-N 2.99Å; F321-S324 VanDerWaalsContact O-N 3.08Å; F321-S324 PolarHBondContact O-OG 3.42Å; F321-T325 HydrophobicContact CE1-CG2 4.23Å; F321-T325 HydrophobicContact CE2-CG2 4.04Å; F321-T325 HydrophobicContact CZ-CG2 3.88Å; F321-T325 WeakPolarHBondContact O-CG2 3.46Å; F321-T325 PolarHBondContact O-N 3.13Å
322	A	98.1	Very high	85.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-56.4	-47.9	179.5	0	0	0	0	0	111.7	L48 V91 I121 I318 A319 S324 T325	L48-A322 HydrophobicContact CD1-CB 3.95Å; V91-A322 HydrophobicContact CG1-CB 4.48Å; I121-A322 HydrophobicContact CD1-CB 4Å; I318-A322 WeakPolarHBondContact O-CB 3.47Å; I318-A322 PolarHBondContact O-N 2.86Å; A319-A322 PolarHBondContact O-N 3.39Å; A319-A322 VanDerWaalsContact O-N 3.16Å; A322-S324 VanDerWaalsContact C-N 3.32Å; A322-S324 PolarHBondContact O-N 3.23Å; A322-T325 PolarHBondContact O-N 3.23Å; A322-T325 PolarHBondContact O-OG1 3.2Å
323	L	97.4	Very high	83.2	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-66	-34.4	177.1	-84.3	77.9	0	0	0	112.2	L48 R51 E55 V57 A319 F321 T325 L326	L48-L323 HydrophobicContact CD1-CD1 3.66Å; R51-L323 HydrophobicContact CB-CD1 3.99Å; R51-L323 HydrophobicContact CB-CD2 3.89Å; R51-L323 WeakPolarHBondContact O-CD2 3.38Å; E55-L323 HydrophobicContact CB-CD2 4.01Å; E55-L323 HydrophobicContact CG-CD2 3.91Å; E55-L323 WeakPolarHBondContact OE1-CD2 3.19Å; V57-L323 HydrophobicContact CG2-CD2 4.39Å; A319-L323 WeakPolarHBondContact O-CD1 3.37Å; A319-L323 PolarHBondContact O-N 3.16Å; F321-L323 PolarHBondContact O-N 3.08Å; L323-T325 PolarHBondContact O-N 3.39Å; L323-T325 VanDerWaalsContact O-N 3.16Å; L323-L326 HydrophobicContact CB-CD1 4.44Å; L323-L326 HydrophobicContact CG-CD1 4.33Å; L323-L326 WeakPolarHBondContact O-CB 3.32Å; L323-L326 WeakPolarHBondContact O-CG 3.46Å; L323-L326 PolarHBondContact O-N 3.37Å; L323-L326 VanDerWaalsContact O-N 3.08Å
324	S	96.2	Very high	80.7	Confident	53 Å²	53	57.9 Å²	57.9	37%	0.371	29%	0.293	S	S	.	.	H	α-helix	trans	-60.9	-23.5	176.1	83.3	0	0	0	0	113.8	D320 F321 A322 L326	D320-S324 WeakPolarHBondContact O-CB 3.06Å; D320-S324 PolarHBondContact O-N 3.34Å; F321-S324 WeakPolarHBondContact O-CB 3.45Å; F321-S324 PolarHBondContact O-N 2.99Å; F321-S324 VanDerWaalsContact O-N 3.08Å; F321-S324 PolarHBondContact O-OG 3.42Å; A322-S324 VanDerWaalsContact C-N 3.32Å; A322-S324 PolarHBondContact O-N 3.23Å; S324-L326 VanDerWaalsContact C-N 3.31Å
325	T	95.7	Very high	78	Confident	29 Å²	29	60.9 Å²	60.9	18%	0.178	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-3.4	177.9	69	0	0	0	0	114.2	V91 I121 F321 A322 L323	V91-T325 WeakPolarHBondContact CG2-OG1 3.35Å; I121-T325 HydrophobicContact CD1-CG2 4.21Å; F321-T325 HydrophobicContact CE1-CG2 4.23Å; F321-T325 HydrophobicContact CE2-CG2 4.04Å; F321-T325 HydrophobicContact CZ-CG2 3.88Å; F321-T325 WeakPolarHBondContact O-CG2 3.46Å; F321-T325 PolarHBondContact O-N 3.13Å; A322-T325 PolarHBondContact O-N 3.23Å; A322-T325 PolarHBondContact O-OG1 3.2Å; L323-T325 PolarHBondContact O-N 3.39Å; L323-T325 VanDerWaalsContact O-N 3.16Å
326	L	94.3	Very high	75.4	Confident	2 Å²	2	65.9 Å²	65.9	1%	0.01	34%	0.34	C	S	.	.	S	Bend	trans	-63.9	137.7	175.7	-73.8	166.9	0	0	0	111.2	V27 V57 Q90 V91 L323 S324 S328 R329	V27-L326 HydrophobicContact CG2-CD1 4.1Å; V27-L326 HydrophobicContact CG2-CD2 3.99Å; V27-L326 HydrophobicContact CG2-CG 4.3Å; V57-L326 HydrophobicContact CG1-CD1 4.23Å; V57-L326 HydrophobicContact CG2-CD1 3.97Å; Q90-L326 HydrophobicContact CB-CD2 4.1Å; V91-L326 HydrophobicContact CB-CD2 4.31Å; V91-L326 HydrophobicContact CG2-CD2 3.79Å; V91-L326 HydrophobicContact CG2-CG 4.16Å; L323-L326 HydrophobicContact CB-CD1 4.44Å; L323-L326 HydrophobicContact CG-CD1 4.33Å; L323-L326 WeakPolarHBondContact O-CB 3.32Å; L323-L326 WeakPolarHBondContact O-CG 3.46Å; L323-L326 PolarHBondContact O-N 3.37Å; L323-L326 VanDerWaalsContact O-N 3.08Å; S324-L326 VanDerWaalsContact C-N 3.31Å; L326-S328 PolarHBondContact O-N 2.76Å; L326-S328 VanDerWaalsContact O-N 3.11Å; L326-R329 PolarHBondContact O-N 3.39Å; L326-R329 VanDerWaalsContact O-N 3.09Å
327	P	83.8	Confident	72.9	Confident	76 Å²	76	71.1 Å²	71.1	49%	0.494	37%	0.366	S	S	.	.	H	α-helix	trans	-57.3	-30.6	-176.1	-26.4	33.8	0	0	0	114.8	Q90 R329 L330 T331	Q90-P327 HydrophobicContact CB-CG 4.19Å; Q90-P327 HydrophobicContact CG-CG 4.22Å; P327-R329 VanDerWaalsContact C-N 3.25Å; P327-R329 PolarHBondContact O-N 3.37Å; P327-L330 PolarHBondContact O-N 3.39Å; P327-T331 PolarHBondContact O-OG1 3.44Å
328	S	68.1	Low	70.1	Confident	59 Å²	59	71.7 Å²	71.7	41%	0.413	38%	0.376	S	S	.	.	H	α-helix	trans	-67.8	-19.3	-179.7	50.3	0	0	0	0	113.9	S25 L326 T331	S25-S328 PolarHBondContact OG-OG 3.16Å; L326-S328 PolarHBondContact O-N 2.76Å; L326-S328 VanDerWaalsContact O-N 3.11Å; S328-T331 PolarHBondContact O-OG1 3.04Å
329	R	56.5	Low	67.5	Low	103 Å²	103	75.6 Å²	75.6	39%	0.389	40%	0.399	S	S	.	.	H	α-helix	trans	-89	-29.4	178.3	-77.3	-173.8	166.8	-140.2	-11.5	113.7	E55 L326 P327 R332 K333	E55-R329 IonicContact OE1-CZ 3Å; E55-R329 IonicContact OE1-NH1 3.14Å; E55-R329 IonicContact OE1-NH2 2.62Å; E55-R329 PolarHBondContact OE1-NH2 3.07Å; E55-R329 IonicContact OE2-CZ 3.37Å; E55-R329 IonicContact OE2-NE 3.89Å; E55-R329 PolarHBondContact OE2-NE 3.19Å; E55-R329 VanDerWaalsContact OE2-NE 3.15Å; E55-R329 IonicContact OE2-NH2 3.15Å; E55-R329 PolarHBondContact OE2-NH2 3.42Å; L326-R329 PolarHBondContact O-N 3.39Å; L326-R329 VanDerWaalsContact O-N 3.09Å; P327-R329 VanDerWaalsContact C-N 3.25Å; P327-R329 PolarHBondContact O-N 3.37Å; R329-R332 PolarHBondContact O-N 3.48Å; R329-K333 PolarHBondContact O-N 3.1Å
330	L	50.9	Low	64.9	Low	124 Å²	124	80.5 Å²	80.5	65%	0.649	43%	0.429	S	S	*	.	H	α-helix	trans	-65	-40.5	175.3	-77.8	162.4	0	0	0	111.2	P327 M334	P327-L330 PolarHBondContact O-N 3.39Å; L330-M334 WeakPolarHBondContact O-CG 3.13Å; L330-M334 PolarHBondContact O-N 3.06Å
331	T	42.4	Very low	62.2	Low	97 Å²	97	81.3 Å²	81.3	60%	0.595	44%	0.441	S	S	*	.	H	α-helix	trans	-72.9	-33.9	176.1	37.1	0	0	0	0	113.2	P327 S328 M334 S335	P327-T331 PolarHBondContact O-OG1 3.44Å; S328-T331 PolarHBondContact O-OG1 3.04Å; T331-M334 PolarHBondContact O-N 2.96Å; T331-S335 WeakPolarHBondContact O-CB 3.44Å; T331-S335 PolarHBondContact O-N 3Å
332	R	42.4	Very low	59.3	Low	188 Å²	188	83.8 Å²	83.8	71%	0.709	46%	0.463	S	S	*	.	H	α-helix	trans	-68.9	-36.9	178.5	-145.9	-178.5	-131.8	178.1	4.7	112.7	R329 S335 L336	R329-R332 PolarHBondContact O-N 3.48Å; R332-S335 PolarHBondContact O-N 2.91Å; R332-L336 WeakPolarHBondContact O-CG 3.21Å; R332-L336 PolarHBondContact O-N 2.84Å
333	K	40.5	Very low	56.5	Low	160 Å²	160	89.1 Å²	89.1	70%	0.696	50%	0.495	S	S	*	.	H	α-helix	trans	-68.9	-38.9	176.1	-131.8	177.1	-175.1	179.5	0	112	R329 L337	R329-K333 PolarHBondContact O-N 3.1Å; K333-L337 PolarHBondContact O-N 3.35Å
334	M	41.9	Very low	53.6	Low	145 Å²	145	93.8 Å²	93.8	71%	0.714	53%	0.528	S	S	*	.	H	α-helix	trans	-71.8	-34.5	173.4	-63.7	-138.1	107.6	0	0	112.8	L330 T331 L337 S338	L330-M334 WeakPolarHBondContact O-CG 3.13Å; L330-M334 PolarHBondContact O-N 3.06Å; T331-M334 PolarHBondContact O-N 2.96Å; M334-L337 PolarHBondContact O-N 3.15Å; M334-S338 PolarHBondContact O-N 2.9Å; M334-S338 VanDerWaalsContact O-N 3.09Å
335	S	41.5	Very low	50.5	Low	63 Å²	63	100.4 Å²	100.4	44%	0.441	55%	0.553	S	S	.	*	H	α-helix	trans	-65.3	-43.9	174	173.7	0	0	0	0	111.9	T331 R332 L337 S338 V339	T331-S335 WeakPolarHBondContact O-CB 3.44Å; T331-S335 PolarHBondContact O-N 3Å; R332-S335 PolarHBondContact O-N 2.91Å; S335-L337 PolarHBondContact O-N 3.49Å; S335-S338 PolarHBondContact O-N 3.48Å; S335-S338 PolarHBondContact O-OG 3.45Å; S335-V339 WeakPolarHBondContact O-CG2 3.49Å; S335-V339 PolarHBondContact O-N 3.43Å
336	L	44.3	Very low	47.3	Very low	108 Å²	108	105.4 Å²	105.4	57%	0.565	58%	0.584	S	S	*	*	H	α-helix	trans	-64.2	-39	176.4	-75.5	165.9	0	0	0	112.6	R332 S338 V339 V340	R332-L336 WeakPolarHBondContact O-CG 3.21Å; R332-L336 PolarHBondContact O-N 2.84Å; L336-S338 VanDerWaalsContact C-N 3.33Å; L336-S338 PolarHBondContact O-N 3.05Å; L336-V339 PolarHBondContact O-N 3.05Å; L336-V340 VanDerWaalsContact O-CG2 3.24Å; L336-V340 WeakPolarHBondContact O-CG2 3.29Å; L336-V340 PolarHBondContact O-N 3.42Å
337	L	44.2	Very low	44.2	Very low	112 Å²	112	110.5 Å²	110.5	59%	0.586	62%	0.62	S	S	*	*	H	α-helix	trans	-63.3	-36.5	173.7	-91.5	149.8	0	0	0	112.7	K333 M334 S335 S341	K333-L337 PolarHBondContact O-N 3.35Å; M334-L337 PolarHBondContact O-N 3.15Å; S335-L337 PolarHBondContact O-N 3.49Å; L337-S341 PolarHBondContact O-N 3.03Å; L337-S341 PolarHBondContact O-OG 3.23Å
338	S	40.8	Very low	41.5	Very low	72 Å²	72	112.6 Å²	112.6	50%	0.503	64%	0.636	S	S	.	*	H	α-helix	trans	-70.4	-31.1	175.1	70.3	0	0	0	0	113.4	M334 S335 L336	M334-S338 PolarHBondContact O-N 2.9Å; M334-S338 VanDerWaalsContact O-N 3.09Å; S335-S338 PolarHBondContact O-N 3.48Å; S335-S338 PolarHBondContact O-OG 3.45Å; L336-S338 VanDerWaalsContact C-N 3.33Å; L336-S338 PolarHBondContact O-N 3.05Å
339	V	43.5	Very low	39.7	Very low	83 Å²	83	118.4 Å²	118.4	50%	0.503	66%	0.657	S	S	.	*	H	α-helix	trans	-73.6	-40.7	176.8	173.8	0	0	0	0	110.9	S335 L336 S341 S342	S335-V339 WeakPolarHBondContact O-CG2 3.49Å; S335-V339 PolarHBondContact O-N 3.43Å; L336-V339 PolarHBondContact O-N 3.05Å; V339-S341 VanDerWaalsContact C-N 3.25Å; V339-S341 PolarHBondContact O-N 2.9Å; V339-S342 PolarHBondContact O-N 3.45Å; V339-S342 PolarHBondContact O-OG 3.35Å
340	V	44.2	Very low	38.8	Very low	103 Å²	103	118.6 Å²	118.6	62%	0.624	67%	0.671	S	S	*	*	H	α-helix	trans	-68.4	-26.7	177.6	-178.4	0	0	0	0	111.8	L336 S342	L336-V340 VanDerWaalsContact O-CG2 3.24Å; L336-V340 WeakPolarHBondContact O-CG2 3.29Å; L336-V340 PolarHBondContact O-N 3.42Å; V340-S342 VanDerWaalsContact C-N 3.28Å; V340-S342 PolarHBondContact O-N 3.22Å
341	S	41	Very low	37.7	Very low	92 Å²	92	121.6 Å²	121.6	64%	0.643	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-8.2	176.3	-53.4	0	0	0	0	113.8	L337 V339	L337-S341 PolarHBondContact O-N 3.03Å; L337-S341 PolarHBondContact O-OG 3.23Å; V339-S341 VanDerWaalsContact C-N 3.25Å; V339-S341 PolarHBondContact O-N 2.9Å
342	S	38.6	Very low	36.9	Very low	90 Å²	90	123 Å²	123	63%	0.629	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	0.8	-178	68.4	0	0	0	0	114.3	V339 V340	V339-S342 PolarHBondContact O-N 3.45Å; V339-S342 PolarHBondContact O-OG 3.35Å; V340-S342 VanDerWaalsContact C-N 3.28Å; V340-S342 PolarHBondContact O-N 3.22Å
343	T	38.1	Very low	36	Very low	112 Å²	112	120.3 Å²	120.3	69%	0.687	70%	0.699	S	S	*	*	S	Bend	trans	-119.9	59.8	178	57.1	0	0	0	0	111.3
344	S	36	Very low	35.3	Very low	99 Å²	99	121 Å²	121	69%	0.692	71%	0.706	S	S	*	*			trans	-167.3	80.3	160.4	51.8	0	0	0	0	110.2
345	E	32.5	Very low	34.6	Very low	191 Å²	191	121.1 Å²	121.1	89%	0.893	72%	0.715	S	S	*	*			trans	-128.7	101.7	155.3	-79.9	-170.7	173.3	0	0	108.7
346	T	28.3	Very low	33.9	Very low	135 Å²	135	125.3 Å²	125.3	83%	0.828	73%	0.732	S	S	*	*			trans	-145	114.6	142.1	34.7	0	0	0	0	110.1
347	S	28.6	Very low	33.2	Very low	108 Å²	108	124.9 Å²	124.9	76%	0.755	75%	0.745	S	S	*	*			trans	57.5	107.4	149	61.7	0	0	0	0	119
348	S	27.6	Very low	32.3	Very low	120 Å²	120	123.7 Å²	123.7	84%	0.839	76%	0.759	S	S	*	*				169.9	126.3	94.4	36.9	0	0	0	0	110.9
349	E	29.7	Very low	31.5	Very low	182 Å²	182	124 Å²	124	85%	0.85	77%	0.774	S	S	*	*			trans	-68.9	162.6	156.5	-85	-155.2	168.6	0	0	109.8
350	P	38.5	Very low	30.6	Very low	106 Å²	106	123.8 Å²	123.8	69%	0.688	79%	0.789	S	S	*	*			cis	-149.4	-179.9	37.1	40.3	-17.9	0	0	0	119
351	E	27.1	Very low	29.7	Very low	188 Å²	188	124.7 Å²	124.7	88%	0.879	80%	0.799	S	S	*	*			trans	108.4	138.8	137.7	-101.1	-179.6	-173.2	0	0	121.6
352	V	26.2	Very low	29.1	Very low	127 Å²	127	127.9 Å²	127.9	77%	0.77	81%	0.809	S	S	*	*			trans	-89.8	146.5	-159.3	170.5	0	0	0	0	111.3
353	C	24	Very low	29.1	Very low	131 Å²	131	129.7 Å²	129.7	89%	0.885	82%	0.818	S	S	*	*			trans	-164.9	120.9	135	-98.8	0	0	0	0	112.1
354	M	24	Very low	28.6	Very low	173 Å²	173	133.3 Å²	133.3	85%	0.852	83%	0.827	S	S	*	*			trans	-85.3	142.2	166.8	-79.1	-124.3	-173.5	0	0	110.7
355	V	27.7	Very low	28.2	Very low	149 Å²	149	133 Å²	133	90%	0.903	83%	0.831	S	S	*	*			trans	-141.5	129.6	149.6	-175.4	0	0	0	0	110.1
356	N	26.9	Very low	27.9	Very low	150 Å²	150	130.7 Å²	130.7	80%	0.802	83%	0.829	S	S	*	*			trans	-76.9	160.5	177.1	-99.9	-19.9	0	0	0	114
357	A	29.3	Very low	27.6	Very low	100 Å²	100	129.4 Å²	129.4	83%	0.826	83%	0.825	S	S	*	*				133.2	109.7	127.5	0	0	0	0	0	112.3
358	G	24.9	Very low	27.4	Very low	86 Å²	86	131.1 Å²	131.1	89%	0.887	83%	0.825	S	S	*	*				105.1	140	99.2	0	0	0	0	0	108.9
359	G	24.5	Very low	27.2	Very low	79 Å²	79	132.7 Å²	132.7	81%	0.814	82%	0.821	S	S	*	*			cis	148.8	133	12.5	0	0	0	0	0	107.5
360	G	24.8	Very low	27.1	Very low	79 Å²	79	129.1 Å²	129.1	81%	0.814	82%	0.817	S	S	*	*			trans	75.3	152.1	167.9	0	0	0	0	0	116.4
361	S	26.2	Very low	26.4	Very low	121 Å²	121	130.9 Å²	130.9	85%	0.846	83%	0.825	S	S	*	*			cis	-177	144	2.7	42.5	0	0	0	0	107.7
362	L	27.6	Very low	26.4	Very low	160 Å²	160	125.8 Å²	125.8	84%	0.838	82%	0.823	S	S	*	*			trans	-70.8	166.7	162	-77	157.7	0	0	0	110.7
363	P	38.2	Very low	26.3	Very low	128 Å²	128	125.3 Å²	125.3	83%	0.831	83%	0.825	S	S	*	*				-147.5	167.9	88	34.3	-13.6	0	0	0	117.4
364	E	28.3	Very low	26.5	Very low	188 Å²	188	125 Å²	125	88%	0.879	83%	0.825	S	S	*	*			trans	-67.5	161.3	174.6	-61.6	166.4	126.6	0	0	115.7
365	A	27.8	Very low	26.5	Very low	93 Å²	93	122.3 Å²	122.3	77%	0.769	82%	0.822	S	S	*	*			trans	-157.3	104.8	144.5	0	0	0	0	0	108.7
366	V	25.1	Very low	26.4	Very low	142 Å²	142	120.5 Å²	120.5	86%	0.861	82%	0.816	S	S	*	*				78	122.4	90.6	177.1	0	0	0	0	115.3
367	C	22.8	Very low	26.3	Very low	108 Å²	108	122.1 Å²	122.1	73%	0.73	82%	0.819	S	S	*	*			trans	-73.1	166.9	177.6	-52.9	0	0	0	0	114.6
368	N	24.1	Very low	26.3	Very low	143 Å²	143	123 Å²	123	77%	0.765	82%	0.82	S	S	*	*				129.2	145.3	109.1	-119.6	14.3	0	0	0	117.9
369	M	24.5	Very low	26.4	Very low	153 Å²	153	126.2 Å²	126.2	75%	0.754	82%	0.816	S	S	*	*			trans	82.1	140.5	163.4	-46.7	-59.7	-81.2	0	0	116.3
370	S	26.1	Very low	26.9	Very low	108 Å²	108	127.9 Å²	127.9	76%	0.755	81%	0.813	S	S	*	*			cis	-166.5	154.5	16.9	1.2	0	0	0	0	112.3
371	V	25	Very low	27	Very low	142 Å²	142	131.7 Å²	131.7	86%	0.861	81%	0.809	S	S	*	*			trans	-53.7	150.5	162.8	-113.5	0	0	0	0	114.5
372	G	26	Very low	27	Very low	81 Å²	81	133 Å²	133	84%	0.835	81%	0.806	S	S	*	*			trans	-160.4	101.6	162.9	0	0	0	0	0	111.1
373	S	24.8	Very low	26.9	Very low	118 Å²	118	130 Å²	130	83%	0.825	81%	0.805	S	S	*	*			trans	-94.1	145.3	171.3	-55.7	0	0	0	0	110.3
374	S	26.9	Very low	26.3	Very low	125 Å²	125	132.4 Å²	132.4	87%	0.874	81%	0.805	S	S	*	*			trans	-156	131.6	151.4	60.3	0	0	0	0	111.6
375	S	24.2	Very low	26.6	Very low	115 Å²	115	128.9 Å²	128.9	80%	0.804	80%	0.798	S	S	*	*			trans	-94.2	152.3	179.4	47.1	0	0	0	0	112.9
376	S	26.2	Very low	26.5	Very low	111 Å²	111	129.2 Å²	129.2	78%	0.776	80%	0.795	S	S	*	*			trans	169.8	108.3	141.7	53.5	0	0	0	0	109.2
377	E	25.4	Very low	26.5	Very low	185 Å²	185	131.4 Å²	131.4	86%	0.864	80%	0.796	S	S	*	*				61.6	114.6	96.3	-68.5	-156.5	152	0	0	115.9
378	S	29.5	Very low	26.7	Very low	119 Å²	119	132 Å²	132	83%	0.832	80%	0.801	S	S	*	*				158.9	123.9	113.3	-63.2	0	0	0	0	112.6
379	D	25.7	Very low	26.9	Very low	153 Å²	153	130.9 Å²	130.9	82%	0.818	80%	0.804	S	S	*	*			trans	-80	162.9	159.4	-112.2	-19.2	0	0	0	109.3
380	P	36.8	Very low	27.4	Very low	113 Å²	113	128.9 Å²	128.9	73%	0.734	80%	0.803	S	S	*	*				-155.8	154.1	81	41.1	-19.9	0	0	0	119
381	E	26.1	Very low	27.4	Very low	160 Å²	160	135.1 Å²	135.1	75%	0.748	81%	0.81	S	S	*	*			trans	57.9	131.9	132.6	-82.9	-167.2	141.5	0	0	125.7
382	L	25.9	Very low	27.4	Very low	147 Å²	147	139.8 Å²	139.8	77%	0.77	81%	0.812	S	S	*	*			trans	78.8	113.2	134	-66.7	165.1	0	0	0	120.6
383	A	26.4	Very low	27.4	Very low	99 Å²	99	141.4 Å²	141.4	82%	0.818	81%	0.81	S	S	*	*				172.9	121.1	107.3	0	0	0	0	0	112.7
384	E	25.1	Very low	27.7	Very low	177 Å²	177	141.9 Å²	141.9	83%	0.827	81%	0.81	S	S	*	*			trans	-98	151.5	152.9	-95.6	-104.5	173.1	0	0	106.7
385	P	33.7	Very low	27.6	Very low	115 Å²	115	140.3 Å²	140.3	75%	0.747	81%	0.805	S	S	*	*				-155.3	162.8	82.5	39.4	-19.3	0	0	0	117.5
386	S	26.2	Very low	27.7	Very low	99 Å²	99	140.3 Å²	140.3	69%	0.692	81%	0.805	S	S	*	*				124.9	106.6	123.1	70.3	0	0	0	0	118.5
387	Q	25.5	Very low	27.7	Very low	189 Å²	189	139.5 Å²	139.5	88%	0.883	81%	0.805	S	S	*	*			trans	16	128.6	133.2	-56.1	-175.8	3	0	0	120.2
388	S	27.1	Very low	27.8	Very low	121 Å²	121	139 Å²	139	85%	0.846	81%	0.808	S	S	*	*				175.1	152.5	108.2	51.2	0	0	0	0	113.4
389	S	27.1	Very low	27.7	Very low	118 Å²	118	137.7 Å²	137.7	83%	0.825	80%	0.798	S	S	*	*			trans	-96.3	-157.1	-157.1	-46.6	0	0	0	0	114.2
390	P	35.2	Very low	27.9	Very low	111 Å²	111	137.7 Å²	137.7	72%	0.721	80%	0.798	S	S	*	*				-118.3	173	-110.9	34.9	-14.6	0	0	0	114.2
391	R	25.7	Very low	27.6	Very low	239 Å²	239	140.6 Å²	140.6	90%	0.902	81%	0.807	S	S	*	*			trans	-167.3	109.1	156.3	-101.1	148.1	-164.2	-131.6	7.7	109.8
392	R	25.6	Very low	27.9	Very low	241 Å²	241	138.5 Å²	138.5	91%	0.909	81%	0.807	S	S	*	*				66.7	109.8	97.2	-86.6	-170.5	-178.7	-179.4	1.2	114.9
393	S	27.3	Very low	28.2	Very low	114 Å²	114	139.5 Å²	139.5	80%	0.797	81%	0.813	S	S	*	*			trans	-59.5	163.1	159.6	40.3	0	0	0	0	113
394	P	30.1	Very low	28.5	Very low	128 Å²	128	142.7 Å²	142.7	83%	0.831	82%	0.815	S	S	*	*				-134.3	144.9	123.8	33.6	-20.4	0	0	0	113.1
395	A	25.4	Very low	28.9	Very low	93 Å²	93	140.1 Å²	140.1	77%	0.769	81%	0.814	S	S	*	*			trans	-81.8	145.3	161.9	0	0	0	0	0	109.6
396	S	26.5	Very low	28.9	Very low	115 Å²	115	142.2 Å²	142.2	80%	0.804	82%	0.819	S	S	*	*				171.7	135.3	125.8	59.1	0	0	0	0	112.8
397	A	25.7	Very low	29.6	Very low	93 Å²	93	142.6 Å²	142.6	77%	0.769	83%	0.828	S	S	*	*			trans	69.9	117.2	143.7	0	0	0	0	0	119.4
398	L	27.7	Very low	30.1	Very low	176 Å²	176	137.8 Å²	137.8	92%	0.921	82%	0.821	S	S	*	*				-161.3	119.7	124.6	-100.3	151.8	0	0	0	109.4
399	S	26.6	Very low	30.8	Very low	90 Å²	90	141.3 Å²	141.3	63%	0.629	82%	0.817	S	S	*	*			trans	-80	167.2	169.5	46.6	0	0	0	0	111.1
400	D	29.2	Very low	32.1	Very low	154 Å²	154	139.7 Å²	139.7	82%	0.824	80%	0.799	S	S	*	*			trans	101.8	93.8	162.4	-51.2	-22.7	0	0	0	116.4
401	L	30.6	Very low	32.5	Very low	173 Å²	173	140.8 Å²	140.8	91%	0.906	79%	0.793	S	S	*	*			trans	-129.2	136	158.1	-85	165.8	0	0	0	108.9
402	P	32.6	Very low	33.3	Very low	117 Å²	117	135.1 Å²	135.1	76%	0.76	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-78.6	157.6	-174	31	-33.3	0	0	0	113.6
403	D	32	Very low	34.3	Very low	167 Å²	167	128.2 Å²	128.2	89%	0.893	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-47.5	131.5	-173.6	-68.6	-48.5	0	0	0	115.7
404	L	33.5	Very low	35.3	Very low	166 Å²	166	127 Å²	127	87%	0.869	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-84.5	137.3	168.8	-77.4	160.1	0	0	0	110.3
405	P	34	Very low	36.3	Very low	123 Å²	123	124.5 Å²	124.5	80%	0.799	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-75.2	154.5	171.4	29.3	-30.3	0	0	0	112.6
406	D	32.9	Very low	37.5	Very low	159 Å²	159	122.8 Å²	122.8	85%	0.85	71%	0.711	S	S	*	*			trans	-44.3	147.2	-163.7	-95.4	-44.8	0	0	0	120	A408	D406-A408 VanDerWaalsContact C-N 3.34Å; D406-A408 PolarHBondContact O-N 3.18Å
407	A	41.6	Very low	38.6	Very low	107 Å²	107	122.1 Å²	122.1	88%	0.884	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	75.6	173.3	0	0	0	0	0	112.9
408	A	36.3	Very low	39.7	Very low	89 Å²	89	123.7 Å²	123.7	74%	0.736	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-163.8	24.7	159.7	0	0	0	0	0	113.5	D406 N410	D406-A408 VanDerWaalsContact C-N 3.34Å; D406-A408 PolarHBondContact O-N 3.18Å; A408-N410 VanDerWaalsContact C-N 3.34Å; A408-N410 PolarHBondContact O-N 3.1Å
409	Y	41.8	Very low	40.8	Very low	194 Å²	194	119.3 Å²	119.3	76%	0.761	67%	0.666	S	S	*	*			trans	-73.4	94.8	171.1	-147.1	-95.1	0	0	0	108.5	F411 L414	Y409-F411 PolarHBondContact O-N 3.03Å; Y409-L414 HydrophobicContact CE1-CD1 3.85Å
410	N	53.4	Low	41.8	Very low	84 Å²	84	120.9 Å²	120.9	45%	0.449	66%	0.662	S	S	.	*			trans	-72.8	76.1	-170.4	-165	-18.5	0	0	0	111.2	A408 N412 N413 L414	A408-N410 VanDerWaalsContact C-N 3.34Å; A408-N410 PolarHBondContact O-N 3.1Å; N410-N412 PolarHBondContact O-N 2.77Å; N410-N413 PolarHBondContact ND2-ND2 3.24Å; N410-N413 PolarHBondContact O-N 3.25Å; N410-N413 PolarHBondContact OD1-N 3.42Å; N410-L414 PolarHBondContact O-N 3.14Å
411	F	44.7	Very low	42.7	Very low	134 Å²	134	119.8 Å²	119.8	59%	0.588	66%	0.655	S	S	*	*	H	α-helix	trans	-61.7	-29.6	-179.2	-147.4	-97.1	0	0	0	112.2	Y409 N413 L414 L415	Y409-F411 PolarHBondContact O-N 3.03Å; F411-N413 VanDerWaalsContact C-N 3.34Å; F411-N413 PolarHBondContact O-N 3.02Å; F411-L414 PolarHBondContact O-N 2.81Å; F411-L415 HydrophobicContact CD1-CD1 3.63Å; F411-L415 HydrophobicContact CE1-CD1 3.73Å; F411-L415 HydrophobicContact CE1-CG 4.49Å; F411-L415 PolarHBondContact O-N 3.27Å
412	N	42.6	Very low	43.4	Very low	120 Å²	120	118.4 Å²	118.4	64%	0.642	65%	0.648	S	S	*	*	H	α-helix	trans	-64.4	-36.7	177.3	-67.4	-23.9	0	0	0	112.3	N410 A416	N410-N412 PolarHBondContact O-N 2.77Å; N412-A416 VanDerWaalsContact O-CB 3.27Å; N412-A416 WeakPolarHBondContact O-CB 3.27Å; N412-A416 PolarHBondContact O-N 3.46Å
413	N	46.7	Very low	44.2	Very low	96 Å²	96	118.2 Å²	118.2	51%	0.513	65%	0.645	S	S	.	*	H	α-helix	trans	-74.3	-32.9	176.6	-79.5	-5.8	0	0	0	112.6	N410 F411 N417	N410-N413 PolarHBondContact ND2-ND2 3.24Å; N410-N413 PolarHBondContact O-N 3.25Å; N410-N413 PolarHBondContact OD1-N 3.42Å; F411-N413 VanDerWaalsContact C-N 3.34Å; F411-N413 PolarHBondContact O-N 3.02Å; N413-N417 WeakPolarHBondContact O-CB 3.37Å; N413-N417 PolarHBondContact O-N 3.49Å; N413-N417 VanDerWaalsContact O-N 3.1Å; N413-N417 PolarHBondContact O-ND2 3.42Å
414	L	48.2	Very low	44.8	Very low	90 Å²	90	119.5 Å²	119.5	47%	0.471	65%	0.645	S	S	.	*	H	α-helix	trans	-67.7	-47.5	175.8	-87.6	159.1	0	0	0	111	Y409 N410 F411 A416 N417 E418	Y409-L414 HydrophobicContact CE1-CD1 3.85Å; N410-L414 PolarHBondContact O-N 3.14Å; F411-L414 PolarHBondContact O-N 2.81Å; L414-A416 PolarHBondContact O-N 2.95Å; L414-N417 PolarHBondContact O-N 2.87Å; L414-E418 WeakPolarHBondContact O-CB 3.38Å; L414-E418 PolarHBondContact O-N 3.03Å
415	L	50.1	Low	45.4	Very low	75 Å²	75	117.2 Å²	117.2	39%	0.393	63%	0.634	S	S	.	*	H	α-helix	trans	-62.6	-41.3	175.6	-95.9	154.6	0	0	0	112.9	F411 N417 E418 I419	F411-L415 HydrophobicContact CD1-CD1 3.63Å; F411-L415 HydrophobicContact CE1-CD1 3.73Å; F411-L415 HydrophobicContact CE1-CG 4.49Å; F411-L415 PolarHBondContact O-N 3.27Å; L415-N417 VanDerWaalsContact C-N 3.3Å; L415-N417 PolarHBondContact O-N 2.96Å; L415-E418 PolarHBondContact O-N 3.01Å; L415-I419 HydrophobicContact CD2-CD1 4.33Å; L415-I419 WeakPolarHBondContact O-CB 3.5Å; L415-I419 VanDerWaalsContact O-CG1 3.29Å; L415-I419 WeakPolarHBondContact O-CG1 3.47Å; L415-I419 PolarHBondContact O-N 3.04Å
416	A	51.5	Low	46	Very low	57 Å²	57	116.8 Å²	116.8	47%	0.471	63%	0.626	S	S	.	*	H	α-helix	trans	-63.1	-37.3	176.5	0	0	0	0	0	112.2	N412 L414 K420	N412-A416 VanDerWaalsContact O-CB 3.27Å; N412-A416 WeakPolarHBondContact O-CB 3.27Å; N412-A416 PolarHBondContact O-N 3.46Å; L414-A416 PolarHBondContact O-N 2.95Å; A416-K420 WeakPolarHBondContact O-CB 3.36Å; A416-K420 PolarHBondContact O-N 2.75Å
417	N	48.4	Very low	46.7	Very low	101 Å²	101	114.5 Å²	114.5	54%	0.54	61%	0.613	S	S	.	*	H	α-helix	trans	-75.1	-39.3	177.9	-74.3	-23.2	0	0	0	112.6	N413 L414 L415 I419 K420 L421	N413-N417 WeakPolarHBondContact O-CB 3.37Å; N413-N417 PolarHBondContact O-N 3.49Å; N413-N417 VanDerWaalsContact O-N 3.1Å; N413-N417 PolarHBondContact O-ND2 3.42Å; L414-N417 PolarHBondContact O-N 2.87Å; L415-N417 VanDerWaalsContact C-N 3.3Å; L415-N417 PolarHBondContact O-N 2.96Å; N417-I419 VanDerWaalsContact C-N 3.33Å; N417-I419 PolarHBondContact O-N 3.31Å; N417-K420 PolarHBondContact O-N 3.16Å; N417-L421 PolarHBondContact O-N 3.29Å
418	E	48.3	Very low	47	Very low	126 Å²	126	114.9 Å²	114.9	59%	0.589	60%	0.597	S	S	*	*	H	α-helix	trans	-66	-36	177.9	-121.2	171.7	177.8	0	0	112	L414 L415 L422	L414-E418 WeakPolarHBondContact O-CB 3.38Å; L414-E418 PolarHBondContact O-N 3.03Å; L415-E418 PolarHBondContact O-N 3.01Å; E418-L422 WeakPolarHBondContact O-CG 3.42Å; E418-L422 PolarHBondContact O-N 2.78Å
419	I	52.3	Low	47.7	Very low	83 Å²	83	116.6 Å²	116.6	43%	0.426	59%	0.588	S	S	.	*	H	α-helix	trans	-75	-35.9	177.4	-67	170.1	0	0	0	111.3	L415 N417 L421 L422 T423	L415-I419 HydrophobicContact CD2-CD1 4.33Å; L415-I419 WeakPolarHBondContact O-CB 3.5Å; L415-I419 VanDerWaalsContact O-CG1 3.29Å; L415-I419 WeakPolarHBondContact O-CG1 3.47Å; L415-I419 PolarHBondContact O-N 3.04Å; N417-I419 VanDerWaalsContact C-N 3.33Å; N417-I419 PolarHBondContact O-N 3.31Å; I419-L421 PolarHBondContact O-N 3.4Å; I419-L422 PolarHBondContact O-N 2.65Å; I419-T423 PolarHBondContact O-N 3.32Å; I419-T423 VanDerWaalsContact O-N 3.16Å; I419-T423 PolarHBondContact O-OG1 3.42Å; I419-T423 VanDerWaalsContact O-OG1 3.08Å
420	K	46.1	Very low	48.1	Very low	123 Å²	123	111.4 Å²	111.4	54%	0.535	58%	0.577	S	S	.	*	H	α-helix	trans	-60.2	-37.6	175.2	-163.9	177.9	180	-172.8	0	111.8	A416 N417 L422 T423 E424	A416-K420 WeakPolarHBondContact O-CB 3.36Å; A416-K420 PolarHBondContact O-N 2.75Å; N417-K420 PolarHBondContact O-N 3.16Å; K420-L422 VanDerWaalsContact C-N 3.27Å; K420-L422 PolarHBondContact O-N 3.49Å; K420-T423 PolarHBondContact O-N 2.79Å; K420-T423 PolarHBondContact O-OG1 2.93Å; K420-T423 VanDerWaalsContact O-OG1 3.13Å; K420-E424 WeakPolarHBondContact CE-OE1 3.25Å; K420-E424 PolarHBondContact O-N 2.93Å
421	L	49.3	Very low	47.7	Very low	131 Å²	131	113.4 Å²	113.4	69%	0.686	59%	0.586	S	S	*	*	H	α-helix	trans	-69.7	-16.7	173.8	-84.8	155.4	0	0	0	114.5	N417 I419	N417-L421 PolarHBondContact O-N 3.29Å; I419-L421 PolarHBondContact O-N 3.4Å
422	L	45.6	Very low	48	Very low	145 Å²	145	111.8 Å²	111.8	76%	0.759	59%	0.586	S	S	*	*	H	α-helix	trans	-96.8	-12.8	176.9	-70.8	168.4	0	0	0	112.9	E418 I419 K420	E418-L422 WeakPolarHBondContact O-CG 3.42Å; E418-L422 PolarHBondContact O-N 2.78Å; I419-L422 PolarHBondContact O-N 2.65Å; K420-L422 VanDerWaalsContact C-N 3.27Å; K420-L422 PolarHBondContact O-N 3.49Å
423	T	49.7	Very low	48.4	Very low	112 Å²	112	111.1 Å²	111.1	69%	0.687	58%	0.581	S	S	*	*	H	α-helix	trans	-105.4	-12.9	179.5	48.8	0	0	0	0	114.3	I419 K420	I419-T423 PolarHBondContact O-N 3.32Å; I419-T423 VanDerWaalsContact O-N 3.16Å; I419-T423 PolarHBondContact O-OG1 3.42Å; I419-T423 VanDerWaalsContact O-OG1 3.08Å; K420-T423 PolarHBondContact O-N 2.79Å; K420-T423 PolarHBondContact O-OG1 2.93Å; K420-T423 VanDerWaalsContact O-OG1 3.13Å
424	E	45	Very low	48.6	Very low	194 Å²	194	112.5 Å²	112.5	91%	0.907	59%	0.588	S	S	*	*			trans	-92.2	0	164.3	-70.6	177.3	-168.9	0	0	109.6	K420	K420-E424 WeakPolarHBondContact CE-OE1 3.25Å; K420-E424 PolarHBondContact O-N 2.93Å

Retrieved 424 of 424 residues in 221.3 ms (Link to these results)

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