A0A096NQ76_PAPAN Loading...

ADP-ribosylation factor

GTP-binding protein involved in protein trafficking; modulates vesicle budding and uncoating within the Golgi apparatus.

AlphaFold DB (Q5RCF1), UniProt , Accession A0A096NQ76, Species PAPAN (Papio anubis, Olive baboon), Gene ARF4, Length 180 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.1	Very low	48.8	Very low	253 Å²	253	130.1 Å²	130.1	100%	1.246	71%	0.714	S	S	*	*				0	98.4	0	-72.7	-172.4	-82.6	0	0	107.8
2	G	41	Very low	49.1	Very low	73 Å²	73	131.1 Å²	131.1	75%	0.753	72%	0.716	S	S	*	*			trans	-149.2	65.5	-165.2	0	0	0	0	0	114.8
3	L	48.8	Very low	49.8	Very low	163 Å²	163	132.5 Å²	132.5	85%	0.853	71%	0.712	S	S	*	*			trans	-128.5	23.8	-176.5	-76.9	172.4	0	0	0	115
4	T	57.4	Low	50.9	Low	98 Å²	98	128 Å²	128	60%	0.601	71%	0.712	S	S	*	*			trans	-123.8	-0.1	-167.6	27.4	0	0	0	0	117.9	L8	T4-L8 WeakPolarHBondContact O-CD1 3.46Å
5	I	52.8	Low	52.2	Low	144 Å²	144	126.3 Å²	126.3	74%	0.738	69%	0.694	S	S	*	*	S	Bend	trans	-91.4	-34.7	-175.9	-61.5	176.8	0	0	0	113.2	F9	I5-F9 PolarHBondContact O-N 3.38Å
6	S	50.8	Low	53.9	Low	101 Å²	101	123.9 Å²	123.9	71%	0.706	68%	0.675	S	S	*	*	H	α-helix	trans	-74.2	-33.6	-175.7	56.6	0	0	0	0	114.1
7	S	50.2	Low	55.6	Low	67 Å²	67	125.9 Å²	125.9	47%	0.469	68%	0.679	S	S	.	*	H	α-helix	trans	-78.7	-18.9	179.5	58	0	0	0	0	113.8	S10	S7-S10 PolarHBondContact O-OG 3.2Å
8	L	49.8	Very low	57.4	Low	103 Å²	103	119.1 Å²	119.1	54%	0.539	64%	0.642	S	S	.	*	H	α-helix	trans	-83.1	-33.8	174.1	-94.8	158.5	0	0	0	111.8	T4 S10 R11 L12	T4-L8 WeakPolarHBondContact O-CD1 3.46Å; L8-S10 PolarHBondContact O-N 3.49Å; L8-R11 PolarHBondContact O-N 3.48Å; L8-L12 PolarHBondContact O-N 3.31Å
9	F	46.8	Very low	59.1	Low	131 Å²	131	118.3 Å²	118.3	58%	0.575	63%	0.628	S	S	*	*	H	α-helix	trans	-68.7	-32.8	178.4	-128.8	-101	0	0	0	113	I5 R11 L12 F13	I5-F9 PolarHBondContact O-N 3.38Å; F9-R11 VanDerWaalsContact C-N 3.29Å; F9-R11 PolarHBondContact O-N 3.35Å; F9-L12 PolarHBondContact O-N 3.29Å; F9-F13 HydrophobicContact CD1-CD2 4.02Å; F9-F13 AromaticContact CD1-CE2 3.9Å; F9-F13 HydrophobicContact CD1-CE2 3.9Å; F9-F13 HydrophobicContact CE1-CD2 4.18Å; F9-F13 AromaticContact CE1-CE2 3.6Å; F9-F13 HydrophobicContact CE1-CE2 3.6Å; F9-F13 PolarHBondContact O-N 3.41Å
10	S	48.3	Very low	60.7	Low	77 Å²	77	112.4 Å²	112.4	54%	0.538	60%	0.597	S	S	.	*	H	α-helix	trans	-72.6	-18.3	176.4	62.1	0	0	0	0	114	S7 L8	S7-S10 PolarHBondContact O-OG 3.2Å; L8-S10 PolarHBondContact O-N 3.49Å
11	R	47.9	Very low	62.3	Low	221 Å²	221	107 Å²	107	83%	0.834	57%	0.569	S	S	*	*	H	α-helix	trans	-86.3	-19.3	173.7	-78.5	-176.7	175.4	172.2	-0.5	113.6	L8 F9	L8-R11 PolarHBondContact O-N 3.48Å; F9-R11 VanDerWaalsContact C-N 3.29Å; F9-R11 PolarHBondContact O-N 3.35Å
12	L	52.7	Low	64.8	Low	142 Å²	142	95.1 Å²	95.1	74%	0.743	51%	0.51	S	S	*	.	H	α-helix	trans	-94.3	-21.6	179.4	-74.8	165.8	0	0	0	113.1	L8 F9 G14	L8-L12 PolarHBondContact O-N 3.31Å; F9-L12 PolarHBondContact O-N 3.29Å; L12-G14 PolarHBondContact O-N 3.46Å
13	F	57.9	Low	67.4	Low	150 Å²	150	91.7 Å²	91.7	66%	0.658	47%	0.474	S	S	*	.	S	Bend	trans	-80.4	111.1	168.7	-94	-101.8	0	0	0	109.6	F9	F9-F13 HydrophobicContact CD1-CD2 4.02Å; F9-F13 AromaticContact CD1-CE2 3.9Å; F9-F13 HydrophobicContact CD1-CE2 3.9Å; F9-F13 HydrophobicContact CE1-CD2 4.18Å; F9-F13 AromaticContact CE1-CE2 3.6Å; F9-F13 HydrophobicContact CE1-CE2 3.6Å; F9-F13 PolarHBondContact O-N 3.41Å
14	G	65.1	Low	69.6	Low	69 Å²	69	83.9 Å²	83.9	71%	0.711	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-53.6	155	175.6	0	0	0	0	0	112.4	L12 K16	L12-G14 PolarHBondContact O-N 3.46Å; G14-K16 PolarHBondContact O-N 3.41Å
15	K	70.6	Confident	71.4	Confident	103 Å²	103	79.5 Å²	79.5	45%	0.448	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-57.6	125.9	178.9	-63.7	-178.7	-173.4	171.7	0	109.7	Q17 E57 N60 C62	K15-Q17 PolarHBondContact O-N 2.86Å; K15-E57 IonicContact NZ-OE1 2.71Å; K15-E57 PolarHBondContact NZ-OE1 3.4Å; K15-E57 IonicContact NZ-OE2 3.82Å; K15-E57 PolarHBondContact NZ-OE2 3.02Å; K15-N60 VanDerWaalsContact CA-O 3.27Å; K15-N60 WeakPolarHBondContact CA-O 3.13Å; K15-C62 HydrophobicContact CB-CB 4.44Å
16	K	79.7	Confident	73.3	Confident	88 Å²	88	74.8 Å²	74.8	38%	0.383	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	120.6	173.5	-169.7	165.9	171.7	-169	0	107.3	G14 M18 N60 I61 C62 R180	G14-K16 PolarHBondContact O-N 3.41Å; K16-M18 HydrophobicContact CB-CE 4.46Å; K16-M18 HydrophobicContact CD-CE 3.38Å; K16-M18 HydrophobicContact CD-SD 4.22Å; K16-M18 HydrophobicContact CG-CE 3.72Å; K16-M18 HydrophobicContact CG-CG 4.49Å; K16-M18 HydrophobicContact CG-SD 4.04Å; K16-N60 PolarHBondContact N-O 3.45Å; K16-I61 WeakPolarHBondContact O-CG2 3.39Å; K16-C62 PolarHBondContact O-N 3.35Å; K16-C62 VanDerWaalsContact O-N 3.13Å; K16-R180 PolarHBondContact NZ-OXT 3.31Å
17	Q	82.3	Confident	75.3	Confident	158 Å²	158	73 Å²	73	74%	0.738	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	129.1	173.5	-68.5	-172.8	9.3	0	0	108.9	K15 C62	K15-Q17 PolarHBondContact O-N 2.86Å; Q17-C62 WeakPolarHBondContact CA-O 3.45Å; Q17-C62 HydrophobicContact CG-CB 4.34Å
18	M	87.3	Confident	77.5	Confident	3 Å²	3	70 Å²	70	2%	0.015	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139.1	-178.9	-63	-68.5	-156.6	0	0	110	K16 I20 I61 C62 F63 T64 Q86 L177	K16-M18 HydrophobicContact CB-CE 4.46Å; K16-M18 HydrophobicContact CD-CE 3.38Å; K16-M18 HydrophobicContact CD-SD 4.22Å; K16-M18 HydrophobicContact CG-CE 3.72Å; K16-M18 HydrophobicContact CG-CG 4.49Å; K16-M18 HydrophobicContact CG-SD 4.04Å; M18-I20 HydrophobicContact CB-CD1 4.5Å; M18-I61 HydrophobicContact CB-CG2 3.93Å; M18-I61 HydrophobicContact CG-CG2 3.46Å; M18-I61 VanDerWaalsContact CG-CG2 3.46Å; M18-C62 PolarHBondContact N-O 2.76Å; M18-F63 HydrophobicContact CB-CD1 3.71Å; M18-F63 HydrophobicContact CB-CE1 3.94Å; M18-F63 HydrophobicContact CG-CD1 4.48Å; M18-F63 HydrophobicContact CG-CE1 4.29Å; M18-F63 WeakPolarHBondContact O-CA 3.36Å; M18-T64 PolarHBondContact O-N 3.13Å; M18-Q86 VanDerWaalsContact CA-OE1 3.3Å; M18-Q86 PolarHBondContact SD-NE2 2.64Å; M18-L177 HydrophobicContact CE-CB 3.88Å; M18-L177 WeakPolarHBondContact CE-O 3.25Å
19	R	90.1	Very high	79.7	Confident	103 Å²	103	65.7 Å²	65.7	39%	0.389	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	116.2	174.2	-80.8	-178.6	165.1	-98.1	-5	110.2	N84 Q86 G87	R19-N84 VanDerWaalsContact CB-O 3.27Å; R19-N84 WeakPolarHBondContact CB-O 3.4Å; R19-Q86 PolarHBondContact O-N 3.07Å; R19-G87 PolarHBondContact O-N 2.81Å
20	I	92.5	Very high	81.9	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127	179.3	-54.6	-61.2	0	0	0	109.1	M18 F63 T64 V65 W66 G87 I89 L173 L177	M18-I20 HydrophobicContact CB-CD1 4.5Å; I20-F63 HydrophobicContact CD1-CD1 3.76Å; I20-F63 HydrophobicContact CD1-CE1 3.93Å; I20-F63 HydrophobicContact CG1-CB 3.95Å; I20-F63 HydrophobicContact CG1-CD1 3.2Å; I20-F63 HydrophobicContact CG1-CE1 3.86Å; I20-F63 HydrophobicContact CG1-CG 3.88Å; I20-T64 PolarHBondContact N-O 3.13Å; I20-T64 VanDerWaalsContact N-O 3.13Å; I20-V65 WeakPolarHBondContact O-CA 3.46Å; I20-W66 PolarHBondContact O-N 2.96Å; I20-G87 VanDerWaalsContact CA-O 3.29Å; I20-G87 WeakPolarHBondContact CA-O 3.46Å; I20-I89 HydrophobicContact CG2-CD1 3.67Å; I20-I89 HydrophobicContact CG2-CG1 3.69Å; I20-L173 HydrophobicContact CD1-CD2 4.3Å; I20-L177 HydrophobicContact CD1-CD1 3.64Å
21	L	93.5	Very high	84	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	126.7	172.4	179.8	58.3	0	0	0	108.7	V23 W66 V68 F82 T85 G87 L88 I89 M110	L21-V23 HydrophobicContact CD1-CG1 3.8Å; L21-V23 HydrophobicContact CD2-CG1 4.12Å; L21-V23 HydrophobicContact CG-CG1 3.74Å; L21-W66 HydrophobicContact CD1-CB 3.82Å; L21-V68 HydrophobicContact CD1-CG2 4.19Å; L21-F82 HydrophobicContact CD2-CD1 3.42Å; L21-F82 VanDerWaalsContact CD2-CD1 3.42Å; L21-F82 HydrophobicContact CD2-CE1 3.63Å; L21-T85 HydrophobicContact CB-CG2 3.72Å; L21-G87 PolarHBondContact N-O 3.02Å; L21-L88 HydrophobicContact CB-CD1 4.12Å; L21-L88 HydrophobicContact CD2-CD1 4.17Å; L21-L88 HydrophobicContact CG-CD1 4.12Å; L21-I89 PolarHBondContact O-N 3.4Å; L21-M110 HydrophobicContact CD2-CE 4.12Å
22	M	95.2	Very high	86.1	Confident	3 Å²	3	47.6 Å²	47.6	2%	0.015	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	116.7	173.5	-175.7	-179.7	56.3	0	0	110.2	K30 I33 L34 V65 W66 D67 I89 V91	M22-K30 HydrophobicContact CE-CB 3.79Å; M22-K30 VanDerWaalsContact CE-O 3.29Å; M22-K30 WeakPolarHBondContact CE-O 2.93Å; M22-K30 HydrophobicContact CG-CB 4.39Å; M22-K30 HydrophobicContact CG-CG 4.33Å; M22-K30 HydrophobicContact SD-CB 4.15Å; M22-I33 HydrophobicContact SD-CB 4.41Å; M22-I33 HydrophobicContact SD-CG2 4.23Å; M22-L34 HydrophobicContact CE-CB 3.93Å; M22-V65 HydrophobicContact CB-CG1 3.52Å; M22-V65 HydrophobicContact CE-CG1 3.77Å; M22-V65 HydrophobicContact SD-CG1 4.42Å; M22-W66 PolarHBondContact N-O 2.69Å; M22-W66 VanDerWaalsContact N-O 3.15Å; M22-D67 HydrophobicContact CE-CB 3.69Å; M22-I89 VanDerWaalsContact CA-O 3.3Å; M22-I89 WeakPolarHBondContact CA-O 3.22Å; M22-I89 HydrophobicContact CB-CB 4.23Å; M22-I89 HydrophobicContact CG-CB 4.11Å; M22-I89 HydrophobicContact CG-CG2 3.99Å; M22-I89 HydrophobicContact SD-CG2 4.49Å; M22-V91 HydrophobicContact CG-CG2 3.86Å; M22-V91 HydrophobicContact SD-CG2 4.07Å
23	V	94.8	Very high	88.1	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	175.2	-172.7	-71.7	0	0	0	0	110.3	L21 K30 W78 L88 I89 F90 V91 M110	L21-V23 HydrophobicContact CD1-CG1 3.8Å; L21-V23 HydrophobicContact CD2-CG1 4.12Å; L21-V23 HydrophobicContact CG-CG1 3.74Å; V23-K30 VanDerWaalsContact C-CD 3.41Å; V23-W78 HydrophobicContact CB-CD2 4.27Å; V23-W78 HydrophobicContact CB-CE3 4.33Å; V23-W78 HydrophobicContact CB-CH2 4.39Å; V23-W78 HydrophobicContact CB-CZ2 4.3Å; V23-W78 HydrophobicContact CB-CZ3 4.4Å; V23-W78 HydrophobicContact CG1-CD2 3.98Å; V23-W78 HydrophobicContact CG1-CE3 4.4Å; V23-W78 HydrophobicContact CG1-CG 4.11Å; V23-L88 HydrophobicContact CG2-CD1 3.55Å; V23-I89 PolarHBondContact N-O 3.36Å; V23-F90 HydrophobicContact CG2-CD2 3.83Å; V23-F90 HydrophobicContact CG2-CE2 4.24Å; V23-F90 CarbonylContact O-C 3.52Å; V23-F90 WeakPolarHBondContact O-CA 3.43Å; V23-V91 PolarHBondContact O-N 2.91Å; V23-M110 HydrophobicContact CB-SD 4.42Å; V23-M110 HydrophobicContact CG2-CE 3.67Å; V23-M110 HydrophobicContact CG2-SD 3.73Å
24	G	95.5	Very high	89.7	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.188	C	C	.	.			trans	141.5	166.6	-171	0	0	0	0	0	109.7	K30 G70 W78 V91	G24-K30 PolarHBondContact O-NZ 3.38Å; G24-G70 WeakPolarHBondContact O-CA 3.27Å; G24-W78 WeakPolarHBondContact O-CZ2 3.48Å; G24-V91 WeakPolarHBondContact CA-O 3.36Å
25	L	94.8	Very high	90.9	Very high	6 Å²	6	33.2 Å²	33.2	3%	0.031	17%	0.165	C	C	.	.	S	Bend	trans	-62.4	164.7	-177.6	-54.6	-164.7	0	0	0	111.9	A28 K30 R99 E102 V103 E106	L25-A28 VanDerWaalsContact O-CB 3.27Å; L25-A28 WeakPolarHBondContact O-CB 3.49Å; L25-A28 PolarHBondContact O-N 3.43Å; L25-K30 PolarHBondContact O-NZ 3.32Å; L25-R99 HydrophobicContact CD1-CB 4.03Å; L25-E102 HydrophobicContact CD1-CB 4.29Å; L25-E102 HydrophobicContact CD1-CG 3.96Å; L25-V103 HydrophobicContact CD1-CG2 3.52Å; L25-V103 HydrophobicContact CG-CG2 3.77Å; L25-E106 HydrophobicContact CD2-CG 4.18Å
26	D	92.7	Very high	91.9	Very high	45 Å²	45	30 Å²	30	24%	0.241	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	152.7	169.3	58	-80	0	0	0	110.9	A28 G70 Q71 R75 R99	D26-A28 PolarHBondContact O-N 3.25Å; D26-G70 PolarHBondContact N-O 2.94Å; D26-Q71 HydrophobicContact CB-CG 3.89Å; D26-R75 IonicContact OD1-NH2 2.89Å; D26-R99 VanDerWaalsContact CG-NH1 3.32Å; D26-R99 PolarHBondContact O-NH2 3.12Å; D26-R99 IonicContact OD1-NH1 2.93Å; D26-R99 PolarHBondContact OD1-NH1 3.4Å; D26-R99 IonicContact OD2-CZ 2.56Å; D26-R99 IonicContact OD2-NH1 2.57Å; D26-R99 PolarHBondContact OD2-NH1 3.42Å; D26-R99 IonicContact OD2-NH2 3.75Å
27	A	93.7	Very high	92.3	Very high	64 Å²	64	27.1 Å²	27.1	53%	0.529	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	-0.2	-174.9	0	0	0	0	0	116.7	G29 K127	A27-G29 PolarHBondContact O-N 3.47Å; A27-G29 VanDerWaalsContact O-N 3.13Å; A27-K127 WeakPolarHBondContact O-CE 3.23Å; A27-K127 PolarHBondContact O-NZ 2.89Å
28	A	96.5	Very high	92.4	Very high	2 Å²	2	23.8 Å²	23.8	2%	0.017	12%	0.123	C	C	.	.	S	Bend	trans	-63.2	-18.7	177.8	0	0	0	0	0	114.6	L25 D26 V91 N126	L25-A28 VanDerWaalsContact O-CB 3.27Å; L25-A28 WeakPolarHBondContact O-CB 3.49Å; L25-A28 PolarHBondContact O-N 3.43Å; D26-A28 PolarHBondContact O-N 3.25Å; A28-V91 HydrophobicContact CB-CB 4.32Å; A28-V91 HydrophobicContact CB-CG1 4.06Å; A28-V91 WeakPolarHBondContact CB-O 3.41Å; A28-V91 WeakPolarHBondContact O-CG1 3.33Å; A28-N126 PolarHBondContact O-ND2 2.57Å
29	G	95.3	Very high	92.2	Very high	13 Å²	13	28.2 Å²	28.2	13%	0.134	15%	0.146	C	C	.	.	S	Bend	trans	101.3	16.9	175.7	0	0	0	0	0	115.4	A27 T32 I33	A27-G29 PolarHBondContact O-N 3.47Å; A27-G29 VanDerWaalsContact O-N 3.13Å; G29-T32 WeakPolarHBondContact O-CB 3.06Å; G29-T32 PolarHBondContact O-N 3.45Å; G29-I33 WeakPolarHBondContact O-CG1 3.48Å; G29-I33 PolarHBondContact O-N 2.92Å
30	K	94.3	Very high	91.8	Very high	10 Å²	10	25.3 Å²	25.3	4%	0.043	15%	0.148	C	C	.	.	H	α-helix	trans	-52	-57.2	178.4	-60.2	-175.1	-60.8	-73.9	0	113	M22 V23 G24 L25 T32 I33 L34 D67 V68 V91	M22-K30 HydrophobicContact CE-CB 3.79Å; M22-K30 VanDerWaalsContact CE-O 3.29Å; M22-K30 WeakPolarHBondContact CE-O 2.93Å; M22-K30 HydrophobicContact CG-CB 4.39Å; M22-K30 HydrophobicContact CG-CG 4.33Å; M22-K30 HydrophobicContact SD-CB 4.15Å; V23-K30 VanDerWaalsContact C-CD 3.41Å; G24-K30 PolarHBondContact O-NZ 3.38Å; L25-K30 PolarHBondContact O-NZ 3.32Å; K30-T32 VanDerWaalsContact C-N 3.26Å; K30-T32 PolarHBondContact O-N 3.24Å; K30-I33 WeakPolarHBondContact O-CB 3.38Å; K30-I33 PolarHBondContact O-N 2.93Å; K30-I33 VanDerWaalsContact O-N 3.08Å; K30-L34 PolarHBondContact O-N 3.48Å; K30-D67 WeakPolarHBondContact CB-OD1 3.48Å; K30-D67 VanDerWaalsContact CE-OD1 3.29Å; K30-D67 WeakPolarHBondContact CE-OD1 3.05Å; K30-V68 WeakPolarHBondContact CE-O 3.14Å; K30-V91 HydrophobicContact CG-CB 3.84Å; K30-V91 HydrophobicContact CG-CG1 4.44Å; K30-V91 HydrophobicContact CG-CG2 3.81Å
31	T	91.4	Very high	90.8	Very high	17 Å²	17	31.7 Å²	31.7	10%	0.104	18%	0.178	C	C	.	.	H	α-helix	trans	-60.9	-36.1	179.5	-47.3	0	0	0	0	112.2	L34 Y35 T45 T48 D67	T31-L34 PolarHBondContact O-N 2.88Å; T31-Y35 HydrophobicContact CG2-CD2 3.96Å; T31-Y35 HydrophobicContact CG2-CE2 3.72Å; T31-Y35 PolarHBondContact O-N 2.86Å; T31-T45 HydrophobicContact CG2-CG2 3.75Å; T31-T48 PolarHBondContact OG1-OG1 3.06Å; T31-D67 VanDerWaalsContact CA-OD2 3.24Å; T31-D67 WeakPolarHBondContact CA-OD2 3.02Å; T31-D67 WeakPolarHBondContact CB-OD2 3.37Å; T31-D67 PolarHBondContact N-OD2 3.48Å; T31-D67 PolarHBondContact OG1-OD2 2.78Å
32	T	93.3	Very high	89.8	Confident	22 Å²	22	36.4 Å²	36.4	14%	0.135	20%	0.202	C	C	.	.	H	α-helix	trans	-62.8	-45.8	174	-46.8	0	0	0	0	111.4	G29 K30 L34 K36 A160 T161	G29-T32 WeakPolarHBondContact O-CB 3.06Å; G29-T32 PolarHBondContact O-N 3.45Å; K30-T32 VanDerWaalsContact C-N 3.26Å; K30-T32 PolarHBondContact O-N 3.24Å; T32-L34 VanDerWaalsContact C-N 3.34Å; T32-K36 VanDerWaalsContact O-CB 3.23Å; T32-K36 WeakPolarHBondContact O-CB 3.39Å; T32-K36 PolarHBondContact O-N 3.02Å; T32-A160 HydrophobicContact CG2-CB 3.87Å; T32-T161 HydrophobicContact CG2-CG2 4.32Å
33	I	94.3	Very high	88.8	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.4	-47.7	174.8	-68.6	170.2	0	0	0	109.9	M22 G29 K30 Y35 K36 L37 V91 F124 A160 L166	M22-I33 HydrophobicContact SD-CB 4.41Å; M22-I33 HydrophobicContact SD-CG2 4.23Å; G29-I33 WeakPolarHBondContact O-CG1 3.48Å; G29-I33 PolarHBondContact O-N 2.92Å; K30-I33 WeakPolarHBondContact O-CB 3.38Å; K30-I33 PolarHBondContact O-N 2.93Å; K30-I33 VanDerWaalsContact O-N 3.08Å; I33-Y35 PolarHBondContact O-N 3.39Å; I33-K36 PolarHBondContact O-N 3.21Å; I33-L37 HydrophobicContact CG2-CD1 3.73Å; I33-L37 HydrophobicContact CG2-CG 4.31Å; I33-L37 WeakPolarHBondContact O-CB 3.27Å; I33-L37 VanDerWaalsContact O-CG 3.25Å; I33-L37 WeakPolarHBondContact O-CG 3.21Å; I33-L37 PolarHBondContact O-N 3.41Å; I33-V91 HydrophobicContact CD1-CB 4.47Å; I33-V91 HydrophobicContact CD1-CG1 3.66Å; I33-V91 HydrophobicContact CD1-CG2 3.89Å; I33-F124 HydrophobicContact CD1-CB 4.38Å; I33-F124 HydrophobicContact CD1-CD2 3.97Å; I33-F124 HydrophobicContact CD1-CG 4.45Å; I33-F124 HydrophobicContact CG2-CE2 4.27Å; I33-A160 HydrophobicContact CD1-CB 4.42Å; I33-A160 HydrophobicContact CG1-CB 3.5Å; I33-A160 VanDerWaalsContact CG1-CB 3.5Å; I33-L166 HydrophobicContact CD1-CD2 4.31Å; I33-L166 HydrophobicContact CG1-CD2 3.92Å; I33-L166 HydrophobicContact CG2-CD1 4.45Å; I33-L166 HydrophobicContact CG2-CD2 4.02Å
34	L	91.7	Very high	87.8	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-59.1	-48.5	-178.1	-175.7	66.6	0	0	0	112.4	M22 K30 T31 T32 L37 K38 N52 E54 V56 V65 D67	M22-L34 HydrophobicContact CE-CB 3.93Å; K30-L34 PolarHBondContact O-N 3.48Å; T31-L34 PolarHBondContact O-N 2.88Å; T32-L34 VanDerWaalsContact C-N 3.34Å; L34-L37 PolarHBondContact O-N 2.89Å; L34-K38 VanDerWaalsContact O-CB 3.3Å; L34-K38 WeakPolarHBondContact O-CB 3Å; L34-K38 PolarHBondContact O-N 2.57Å; L34-N52 VanDerWaalsContact CD2-ND2 3.34Å; L34-N52 WeakPolarHBondContact CD2-ND2 3.39Å; L34-E54 HydrophobicContact CD1-CB 3.8Å; L34-E54 HydrophobicContact CD1-CG 4.44Å; L34-E54 HydrophobicContact CD2-CB 3.85Å; L34-E54 HydrophobicContact CD2-CG 3.59Å; L34-E54 HydrophobicContact CG-CB 4.03Å; L34-E54 HydrophobicContact CG-CG 4.11Å; L34-V56 HydrophobicContact CD1-CG2 3.85Å; L34-V65 HydrophobicContact CD1-CB 3.7Å; L34-V65 HydrophobicContact CD1-CG1 3.8Å; L34-V65 HydrophobicContact CD1-CG2 4.16Å; L34-D67 HydrophobicContact CD2-CB 3.97Å
35	Y	89.5	Confident	86.8	Confident	58 Å²	58	48.2 Å²	48.2	23%	0.227	27%	0.274	C	S	.	.	H	α-helix	trans	-70.8	-34.9	178.2	-70.7	-23.4	0	0	0	112.8	T31 I33 L37 K38 L39 V43 T45	T31-Y35 HydrophobicContact CG2-CD2 3.96Å; T31-Y35 HydrophobicContact CG2-CE2 3.72Å; T31-Y35 PolarHBondContact O-N 2.86Å; I33-Y35 PolarHBondContact O-N 3.39Å; Y35-L37 VanDerWaalsContact C-N 3.28Å; Y35-L37 PolarHBondContact O-N 3.4Å; Y35-K38 PolarHBondContact O-N 2.63Å; Y35-L39 HydrophobicContact CD1-CD1 4.36Å; Y35-L39 HydrophobicContact CG-CD1 4.44Å; Y35-L39 WeakPolarHBondContact O-CA 3.41Å; Y35-L39 WeakPolarHBondContact O-CB 3.25Å; Y35-L39 PolarHBondContact O-N 3.5Å; Y35-V43 HydrophobicContact CD2-CB 3.76Å; Y35-V43 HydrophobicContact CD2-CG1 4.09Å; Y35-V43 HydrophobicContact CD2-CG2 4.19Å; Y35-V43 HydrophobicContact CE2-CB 4.43Å; Y35-V43 HydrophobicContact CE2-CG1 4.26Å; Y35-V43 HydrophobicContact CG-CB 4.43Å; Y35-V43 HydrophobicContact CG-CG2 4.44Å; Y35-T45 HydrophobicContact CD2-CG2 4.47Å
36	K	91.2	Very high	85.7	Confident	36 Å²	36	54.6 Å²	54.6	16%	0.157	31%	0.307	C	S	.	.	H	α-helix	trans	-59.8	-42.2	172.5	-169.7	70.1	177	-175.5	0	111.3	T32 I33 G40 I42 A160 T161 L166	T32-K36 VanDerWaalsContact O-CB 3.23Å; T32-K36 WeakPolarHBondContact O-CB 3.39Å; T32-K36 PolarHBondContact O-N 3.02Å; I33-K36 PolarHBondContact O-N 3.21Å; K36-G40 PolarHBondContact NZ-O 3.24Å; K36-G40 WeakPolarHBondContact O-CA 3.45Å; K36-G40 PolarHBondContact O-N 3.32Å; K36-I42 HydrophobicContact CD-CG1 4.5Å; K36-A160 WeakPolarHBondContact CG-O 3.39Å; K36-T161 PolarHBondContact NZ-O 3.08Å; K36-T161 VanDerWaalsContact NZ-O 3.12Å; K36-L166 HydrophobicContact CB-CD1 4.01Å; K36-L166 HydrophobicContact CG-CD1 3.77Å
37	L	88.4	Confident	85	Confident	28 Å²	28	57.1 Å²	57.1	15%	0.147	33%	0.326	C	S	.	.	H	α-helix	trans	-71.3	-40.5	178	-69.5	171.7	0	0	0	112.9	I33 L34 Y35 V56 L166 Y167 L170	I33-L37 HydrophobicContact CG2-CD1 3.73Å; I33-L37 HydrophobicContact CG2-CG 4.31Å; I33-L37 WeakPolarHBondContact O-CB 3.27Å; I33-L37 VanDerWaalsContact O-CG 3.25Å; I33-L37 WeakPolarHBondContact O-CG 3.21Å; I33-L37 PolarHBondContact O-N 3.41Å; L34-L37 PolarHBondContact O-N 2.89Å; Y35-L37 VanDerWaalsContact C-N 3.28Å; Y35-L37 PolarHBondContact O-N 3.4Å; L37-V56 HydrophobicContact CB-CG1 4.01Å; L37-L166 HydrophobicContact CD2-CB 4.15Å; L37-L166 HydrophobicContact CD2-CD1 4.39Å; L37-L166 HydrophobicContact CG-CD1 4.46Å; L37-Y167 HydrophobicContact CD2-CD1 4.49Å; L37-Y167 HydrophobicContact CD2-CE1 4.17Å; L37-L170 HydrophobicContact CD1-CD1 3.76Å; L37-L170 HydrophobicContact CD2-CD1 3.41Å; L37-L170 VanDerWaalsContact CD2-CD1 3.41Å; L37-L170 HydrophobicContact CG-CD1 4.2Å
38	K	84.3	Confident	84.2	Confident	88 Å²	88	55.7 Å²	55.7	38%	0.383	31%	0.31	S	S	.	.	H	α-helix	trans	-78.9	-40.6	-175.8	-174.4	177.6	173.7	-171.7	0	113.1	L34 Y35 E54	L34-K38 VanDerWaalsContact O-CB 3.3Å; L34-K38 WeakPolarHBondContact O-CB 3Å; L34-K38 PolarHBondContact O-N 2.57Å; Y35-K38 PolarHBondContact O-N 2.63Å; K38-E54 HydrophobicContact CD-CB 4.32Å; K38-E54 HydrophobicContact CD-CG 4.31Å; K38-E54 IonicContact NZ-OE1 2.92Å; K38-E54 PolarHBondContact NZ-OE1 3.14Å; K38-E54 IonicContact NZ-OE2 3.1Å; K38-E54 PolarHBondContact NZ-OE2 3.44Å
39	L	84.3	Confident	83.1	Confident	95 Å²	95	63.5 Å²	63.5	50%	0.497	35%	0.35	S	S	.	.	H	α-helix	trans	-111.6	-16.5	-169.4	-54.6	176.6	0	0	0	112.9	Y35 E41 V43	Y35-L39 HydrophobicContact CD1-CD1 4.36Å; Y35-L39 HydrophobicContact CG-CD1 4.44Å; Y35-L39 WeakPolarHBondContact O-CA 3.41Å; Y35-L39 WeakPolarHBondContact O-CB 3.25Å; Y35-L39 PolarHBondContact O-N 3.5Å; L39-E41 PolarHBondContact O-N 3.22Å; L39-V43 HydrophobicContact CD1-CG2 3.92Å
40	G	79.8	Confident	82.2	Confident	42 Å²	42	63.7 Å²	63.7	43%	0.433	35%	0.353	S	S	.	.	S	Bend	trans	75.9	-9.6	-172.5	0	0	0	0	0	114.2	K36	K36-G40 PolarHBondContact NZ-O 3.24Å; K36-G40 WeakPolarHBondContact O-CA 3.45Å; K36-G40 PolarHBondContact O-N 3.32Å
41	E	73.1	Confident	81.4	Confident	135 Å²	135	68.1 Å²	68.1	63%	0.631	37%	0.372	S	S	*	.	S	Bend	trans	-111.2	158.9	-173.3	-63.1	-175.4	160.9	0	0	112.4	L39	L39-E41 PolarHBondContact O-N 3.22Å
42	I	72.3	Confident	80.8	Confident	100 Å²	100	69.2 Å²	69.2	51%	0.513	38%	0.377	S	S	.	.			trans	-88.1	113.7	172.2	-52.8	169.9	0	0	0	107.4	K36 T161	K36-I42 HydrophobicContact CD-CG1 4.5Å; I42-T161 WeakPolarHBondContact CD1-O 3.46Å; I42-T161 WeakPolarHBondContact CG1-O 3.4Å; I42-T161 HydrophobicContact CG2-CG2 4.5Å
43	V	73.9	Confident	80.2	Confident	53 Å²	53	70.5 Å²	70.5	32%	0.321	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-98.3	130.6	171.4	-179.5	0	0	0	0	108.3	Y35 L39 T45	Y35-V43 HydrophobicContact CD2-CB 3.76Å; Y35-V43 HydrophobicContact CD2-CG1 4.09Å; Y35-V43 HydrophobicContact CD2-CG2 4.19Å; Y35-V43 HydrophobicContact CE2-CB 4.43Å; Y35-V43 HydrophobicContact CE2-CG1 4.26Å; Y35-V43 HydrophobicContact CG-CB 4.43Å; Y35-V43 HydrophobicContact CG-CG2 4.44Å; L39-V43 HydrophobicContact CD1-CG2 3.92Å; V43-T45 WeakPolarHBondContact O-CG2 3.24Å; V43-T45 PolarHBondContact O-N 3.12Å
44	T	73.7	Confident	79.7	Confident	140 Å²	140	72.2 Å²	72.2	86%	0.859	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-60.5	119.8	171.7	-56.1	0	0	0	0	109.3
45	T	75.1	Confident	79.2	Confident	57 Å²	57	75.6 Å²	75.6	35%	0.35	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-100.2	139.7	-177.2	58.2	0	0	0	0	111.3	T31 Y35 V43	T31-T45 HydrophobicContact CG2-CG2 3.75Å; Y35-T45 HydrophobicContact CD2-CG2 4.47Å; V43-T45 WeakPolarHBondContact O-CG2 3.24Å; V43-T45 PolarHBondContact O-N 3.12Å
46	I	71.6	Confident	78.9	Confident	141 Å²	141	73.1 Å²	73.1	72%	0.723	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-94.7	162.1	161.5	62.2	176.1	0	0	0	109.3	T48	I46-T48 PolarHBondContact O-N 3.41Å
47	P	77.9	Confident	78.5	Confident	97 Å²	97	77 Å²	77	63%	0.63	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-54	123.4	173.9	-26.6	35.4	0	0	0	111.9	I49	P47-I49 PolarHBondContact O-N 3.47Å
48	T	76	Confident	78.3	Confident	34 Å²	34	77.4 Å²	77.4	21%	0.209	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-66.8	120.3	179.2	-50	0	0	0	0	110.8	T31 I46	T31-T48 PolarHBondContact OG1-OG1 3.06Å; I46-T48 PolarHBondContact O-N 3.41Å
49	I	74.5	Confident	78	Confident	166 Å²	166	78.8 Å²	78.8	85%	0.851	43%	0.429	S	S	*	.			trans	-92.7	113.6	172.3	-57.4	176.5	0	0	0	107.8	P47	P47-I49 PolarHBondContact O-N 3.47Å
50	G	76.1	Confident	77.4	Confident	18 Å²	18	78.3 Å²	78.3	19%	0.186	43%	0.427	C	S	.	.	S	Bend	trans	85.9	-120.1	-177.9	0	0	0	0	0	112.5	G69	G50-G69 PolarHBondContact O-N 3.07Å
51	F	76.6	Confident	77.1	Confident	103 Å²	103	76.5 Å²	76.5	45%	0.452	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	152.1	-177.4	70.4	-78.5	0	0	0	111.5	V53 W66 D67 V68 Y81	F51-V53 HydrophobicContact CD2-CG2 3.42Å; F51-V53 VanDerWaalsContact CD2-CG2 3.42Å; F51-V53 HydrophobicContact CE2-CG2 3.38Å; F51-W66 HydrophobicContact CD2-CE3 4.23Å; F51-W66 HydrophobicContact CD2-CZ3 4.48Å; F51-W66 HydrophobicContact CE2-CE3 4.32Å; F51-W66 HydrophobicContact CE2-CZ3 4.11Å; F51-D67 CarbonylContact C-O 3.54Å; F51-D67 VanDerWaalsContact CA-O 3.31Å; F51-D67 WeakPolarHBondContact CA-O 3.29Å; F51-V68 HydrophobicContact CB-CG1 4.31Å; F51-V68 HydrophobicContact CB-CG2 4.31Å; F51-Y81 WeakPolarHBondContact CD1-OH 3.07Å; F51-Y81 HydrophobicContact CD2-CE1 4.15Å; F51-Y81 WeakPolarHBondContact CD2-OH 3.39Å; F51-Y81 WeakPolarHBondContact CE1-OH 3.29Å; F51-Y81 HydrophobicContact CE2-CE1 4.3Å; F51-Y81 HydrophobicContact CG-CE1 4.45Å; F51-Y81 AromaticContact CG-CZ 3.86Å; F51-Y81 WeakPolarHBondContact CG-OH 3.49Å; F51-Y81 WeakPolarHBondContact CZ-OH 3.27Å
52	N	78.6	Confident	77.3	Confident	39 Å²	39	70.7 Å²	70.7	21%	0.209	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	136.7	169.9	-171.6	41.3	0	0	0	108.9	L34 E54 D67	L34-N52 VanDerWaalsContact CD2-ND2 3.34Å; L34-N52 WeakPolarHBondContact CD2-ND2 3.39Å; N52-E54 VanDerWaalsContact ND2-CG 3.31Å; N52-E54 WeakPolarHBondContact ND2-CG 3.4Å; N52-D67 HydrophobicContact CB-CB 4.34Å; N52-D67 PolarHBondContact N-O 2.62Å; N52-D67 PolarHBondContact O-N 3.37Å
53	V	81	Confident	77.7	Confident	50 Å²	50	66.1 Å²	66.1	30%	0.303	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	123.3	177.8	-171.7	0	0	0	0	108.2	F51 T64 V65 W66	F51-V53 HydrophobicContact CD2-CG2 3.42Å; F51-V53 VanDerWaalsContact CD2-CG2 3.42Å; F51-V53 HydrophobicContact CE2-CG2 3.38Å; V53-T64 HydrophobicContact CG1-CG2 3.52Å; V53-V65 WeakPolarHBondContact CA-O 3.17Å; V53-W66 HydrophobicContact CB-CE3 4.35Å; V53-W66 HydrophobicContact CB-CZ3 4.46Å; V53-W66 HydrophobicContact CG1-CD2 4.22Å; V53-W66 HydrophobicContact CG1-CE3 4.15Å; V53-W66 HydrophobicContact CG1-CH2 4.33Å; V53-W66 HydrophobicContact CG1-CZ2 4.36Å; V53-W66 HydrophobicContact CG1-CZ3 4.22Å; V53-W66 HydrophobicContact CG2-CD2 4.09Å; V53-W66 HydrophobicContact CG2-CE3 3.29Å; V53-W66 HydrophobicContact CG2-CH2 4.22Å; V53-W66 HydrophobicContact CG2-CZ3 3.39Å
54	E	84.1	Confident	78	Confident	35 Å²	35	65.2 Å²	65.2	16%	0.164	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	139.4	-179	-68.4	-69.3	-150.3	0	0	111.6	L34 K38 N52 V65	L34-E54 HydrophobicContact CD1-CB 3.8Å; L34-E54 HydrophobicContact CD1-CG 4.44Å; L34-E54 HydrophobicContact CD2-CB 3.85Å; L34-E54 HydrophobicContact CD2-CG 3.59Å; L34-E54 HydrophobicContact CG-CB 4.03Å; L34-E54 HydrophobicContact CG-CG 4.11Å; K38-E54 HydrophobicContact CD-CB 4.32Å; K38-E54 HydrophobicContact CD-CG 4.31Å; K38-E54 IonicContact NZ-OE1 2.92Å; K38-E54 PolarHBondContact NZ-OE1 3.14Å; K38-E54 IonicContact NZ-OE2 3.1Å; K38-E54 PolarHBondContact NZ-OE2 3.44Å; N52-E54 VanDerWaalsContact ND2-CG 3.31Å; N52-E54 WeakPolarHBondContact ND2-CG 3.4Å; E54-V65 PolarHBondContact N-O 2.91Å; E54-V65 PolarHBondContact O-N 2.95Å
55	T	81.1	Confident	78.3	Confident	72 Å²	72	59 Å²	59	44%	0.442	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	121.4	172.5	-60.5	0	0	0	0	108.9	C62 F63	T55-C62 WeakPolarHBondContact CG2-SG 3.28Å; T55-F63 CarbonylContact C-O 3.6Å; T55-F63 WeakPolarHBondContact CA-O 3.48Å
56	V	84.1	Confident	78.6	Confident	6 Å²	6	58.3 Å²	58.3	4%	0.036	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	124.1	176.4	-178.8	0	0	0	0	108	L34 L37 F63 V65	L34-V56 HydrophobicContact CD1-CG2 3.85Å; L37-V56 HydrophobicContact CB-CG1 4.01Å; V56-F63 PolarHBondContact N-O 2.92Å; V56-F63 PolarHBondContact O-N 3.14Å; V56-V65 HydrophobicContact CG2-CG2 4.16Å
57	E	82.6	Confident	79	Confident	118 Å²	118	51.6 Å²	51.6	55%	0.551	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	128.8	172.5	-60.4	-165.1	143.4	0	0	109.9	K15	K15-E57 IonicContact NZ-OE1 2.71Å; K15-E57 PolarHBondContact NZ-OE1 3.4Å; K15-E57 IonicContact NZ-OE2 3.82Å; K15-E57 PolarHBondContact NZ-OE2 3.02Å
58	Y	82.6	Confident	79.1	Confident	37 Å²	37	47 Å²	47	15%	0.145	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	121	175.6	-171.6	-113.4	0	0	0	110.9	N60 I61 Y167 L170 D171	Y58-N60 PolarHBondContact O-N 3.5Å; Y58-I61 PolarHBondContact N-O 3.34Å; Y58-I61 PolarHBondContact O-N 2.8Å; Y58-I61 VanDerWaalsContact O-O 3.04Å; Y58-Y167 HydrophobicContact CD2-CD1 4.15Å; Y58-Y167 HydrophobicContact CD2-CE1 4.35Å; Y58-Y167 AromaticContact CE2-CD1 3.35Å; Y58-Y167 HydrophobicContact CE2-CD1 3.35Å; Y58-Y167 AromaticContact CE2-CE1 3.88Å; Y58-Y167 HydrophobicContact CE2-CE1 3.88Å; Y58-Y167 HydrophobicContact CE2-CG 4.39Å; Y58-Y167 AromaticContact CZ-CD1 3.8Å; Y58-Y167 WeakPolarHBondContact OH-CB 3.43Å; Y58-Y167 PolarHBondContact OH-O 3.32Å; Y58-L170 HydrophobicContact CD1-CB 3.81Å; Y58-L170 HydrophobicContact CD1-CD1 4.35Å; Y58-L170 HydrophobicContact CE1-CB 3.68Å; Y58-L170 HydrophobicContact CG-CD1 4.35Å; Y58-D171 WeakPolarHBondContact CE1-OD1 3.48Å; Y58-D171 VanDerWaalsContact CZ-OD1 3.3Å; Y58-D171 PolarHBondContact OH-OD1 2.98Å
59	K	78.4	Confident	79.3	Confident	116 Å²	116	45.5 Å²	45.5	50%	0.504	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	-124.4	-170.3	-64	-179.8	167.1	173.9	0	111.2	D171	K59-D171 WeakPolarHBondContact CE-OD1 2.94Å; K59-D171 IonicContact NZ-OD1 2.65Å; K59-D171 PolarHBondContact NZ-OD1 3.01Å; K59-D171 IonicContact NZ-OD2 2.72Å; K59-D171 PolarHBondContact NZ-OD2 3.13Å
60	N	72.8	Confident	79.6	Confident	86 Å²	86	37.7 Å²	37.7	46%	0.46	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	11.5	178.9	62.6	-44.1	0	0	0	112.9	K15 K16 Y58	K15-N60 VanDerWaalsContact CA-O 3.27Å; K15-N60 WeakPolarHBondContact CA-O 3.13Å; K16-N60 PolarHBondContact N-O 3.45Å; Y58-N60 PolarHBondContact O-N 3.5Å
61	I	73.6	Confident	80	Confident	3 Å²	3	40.8 Å²	40.8	2%	0.015	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	137.5	-179.2	-50.5	-170.2	0	0	0	110	K16 M18 Y58 F63 S174	K16-I61 WeakPolarHBondContact O-CG2 3.39Å; M18-I61 HydrophobicContact CB-CG2 3.93Å; M18-I61 HydrophobicContact CG-CG2 3.46Å; M18-I61 VanDerWaalsContact CG-CG2 3.46Å; Y58-I61 PolarHBondContact N-O 3.34Å; Y58-I61 PolarHBondContact O-N 2.8Å; Y58-I61 VanDerWaalsContact O-O 3.04Å; I61-F63 HydrophobicContact CB-CE1 4.09Å; I61-F63 HydrophobicContact CB-CE2 3.86Å; I61-F63 HydrophobicContact CB-CZ 3.65Å; I61-F63 HydrophobicContact CD1-CE1 4.41Å; I61-F63 HydrophobicContact CD1-CZ 4.03Å; I61-F63 HydrophobicContact CG1-CZ 4.4Å; I61-F63 HydrophobicContact CG2-CD1 3.6Å; I61-F63 HydrophobicContact CG2-CD2 4.19Å; I61-F63 HydrophobicContact CG2-CE1 3.22Å; I61-F63 HydrophobicContact CG2-CE2 3.81Å; I61-F63 HydrophobicContact CG2-CG 4.12Å; I61-F63 HydrophobicContact CG2-CZ 3.33Å; I61-S174 WeakPolarHBondContact CD1-OG 3.36Å
62	C	77.1	Confident	80.4	Confident	14 Å²	14	40.6 Å²	40.6	10%	0.095	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	115.1	172.5	-176	0	0	0	0	107.6	K15 K16 Q17 M18 T55	K15-C62 HydrophobicContact CB-CB 4.44Å; K16-C62 PolarHBondContact O-N 3.35Å; K16-C62 VanDerWaalsContact O-N 3.13Å; Q17-C62 WeakPolarHBondContact CA-O 3.45Å; Q17-C62 HydrophobicContact CG-CB 4.34Å; M18-C62 PolarHBondContact N-O 2.76Å; T55-C62 WeakPolarHBondContact CG2-SG 3.28Å
63	F	79.7	Confident	80.9	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.018	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.5	-176.4	-58.4	-70.8	0	0	0	109.9	M18 I20 T55 V56 I61 V65 L177	M18-F63 HydrophobicContact CB-CD1 3.71Å; M18-F63 HydrophobicContact CB-CE1 3.94Å; M18-F63 HydrophobicContact CG-CD1 4.48Å; M18-F63 HydrophobicContact CG-CE1 4.29Å; M18-F63 WeakPolarHBondContact O-CA 3.36Å; I20-F63 HydrophobicContact CD1-CD1 3.76Å; I20-F63 HydrophobicContact CD1-CE1 3.93Å; I20-F63 HydrophobicContact CG1-CB 3.95Å; I20-F63 HydrophobicContact CG1-CD1 3.2Å; I20-F63 HydrophobicContact CG1-CE1 3.86Å; I20-F63 HydrophobicContact CG1-CG 3.88Å; T55-F63 CarbonylContact C-O 3.6Å; T55-F63 WeakPolarHBondContact CA-O 3.48Å; V56-F63 PolarHBondContact N-O 2.92Å; V56-F63 PolarHBondContact O-N 3.14Å; I61-F63 HydrophobicContact CB-CE1 4.09Å; I61-F63 HydrophobicContact CB-CE2 3.86Å; I61-F63 HydrophobicContact CB-CZ 3.65Å; I61-F63 HydrophobicContact CD1-CE1 4.41Å; I61-F63 HydrophobicContact CD1-CZ 4.03Å; I61-F63 HydrophobicContact CG1-CZ 4.4Å; I61-F63 HydrophobicContact CG2-CD1 3.6Å; I61-F63 HydrophobicContact CG2-CD2 4.19Å; I61-F63 HydrophobicContact CG2-CE1 3.22Å; I61-F63 HydrophobicContact CG2-CE2 3.81Å; I61-F63 HydrophobicContact CG2-CG 4.12Å; I61-F63 HydrophobicContact CG2-CZ 3.33Å; F63-V65 HydrophobicContact CB-CG2 4.33Å; F63-L177 HydrophobicContact CE1-CD1 3.99Å
64	T	80	Confident	81.1	Confident	33 Å²	33	48.9 Å²	48.9	20%	0.202	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	111.7	162.3	-56.1	0	0	0	0	107.7	M18 I20 V53 W66	M18-T64 PolarHBondContact O-N 3.13Å; I20-T64 PolarHBondContact N-O 3.13Å; I20-T64 VanDerWaalsContact N-O 3.13Å; V53-T64 HydrophobicContact CG1-CG2 3.52Å; T64-W66 HydrophobicContact CG2-CZ2 4.31Å
65	V	80.5	Confident	81.3	Confident	9 Å²	9	48.1 Å²	48.1	6%	0.055	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	120.9	179.5	-176.4	0	0	0	0	109.2	I20 M22 L34 V53 E54 V56 F63	I20-V65 WeakPolarHBondContact O-CA 3.46Å; M22-V65 HydrophobicContact CB-CG1 3.52Å; M22-V65 HydrophobicContact CE-CG1 3.77Å; M22-V65 HydrophobicContact SD-CG1 4.42Å; L34-V65 HydrophobicContact CD1-CB 3.7Å; L34-V65 HydrophobicContact CD1-CG1 3.8Å; L34-V65 HydrophobicContact CD1-CG2 4.16Å; V53-V65 WeakPolarHBondContact CA-O 3.17Å; E54-V65 PolarHBondContact N-O 2.91Å; E54-V65 PolarHBondContact O-N 2.95Å; V56-V65 HydrophobicContact CG2-CG2 4.16Å; F63-V65 HydrophobicContact CB-CG2 4.33Å
66	W	81.7	Confident	81.7	Confident	43 Å²	43	48.5 Å²	48.5	16%	0.163	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	97	171.5	-55.3	80.8	0	0	0	107.6	I20 L21 M22 F51 V53 T64 V68 Y81	I20-W66 PolarHBondContact O-N 2.96Å; L21-W66 HydrophobicContact CD1-CB 3.82Å; M22-W66 PolarHBondContact N-O 2.69Å; M22-W66 VanDerWaalsContact N-O 3.15Å; F51-W66 HydrophobicContact CD2-CE3 4.23Å; F51-W66 HydrophobicContact CD2-CZ3 4.48Å; F51-W66 HydrophobicContact CE2-CE3 4.32Å; F51-W66 HydrophobicContact CE2-CZ3 4.11Å; V53-W66 HydrophobicContact CB-CE3 4.35Å; V53-W66 HydrophobicContact CB-CZ3 4.46Å; V53-W66 HydrophobicContact CG1-CD2 4.22Å; V53-W66 HydrophobicContact CG1-CE3 4.15Å; V53-W66 HydrophobicContact CG1-CH2 4.33Å; V53-W66 HydrophobicContact CG1-CZ2 4.36Å; V53-W66 HydrophobicContact CG1-CZ3 4.22Å; V53-W66 HydrophobicContact CG2-CD2 4.09Å; V53-W66 HydrophobicContact CG2-CE3 3.29Å; V53-W66 HydrophobicContact CG2-CH2 4.22Å; V53-W66 HydrophobicContact CG2-CZ3 3.39Å; T64-W66 HydrophobicContact CG2-CZ2 4.31Å; W66-V68 PolarHBondContact O-N 3.12Å; W66-Y81 HydrophobicContact CB-CD1 4.28Å; W66-Y81 HydrophobicContact CB-CG 4.47Å; W66-Y81 AromaticContact CD2-CD1 3.6Å; W66-Y81 HydrophobicContact CD2-CD1 3.6Å; W66-Y81 HydrophobicContact CD2-CE1 4.08Å; W66-Y81 AromaticContact CE3-CD1 3.17Å; W66-Y81 HydrophobicContact CE3-CD1 3.17Å; W66-Y81 AromaticContact CE3-CE1 3.16Å; W66-Y81 HydrophobicContact CE3-CE1 3.16Å; W66-Y81 HydrophobicContact CE3-CG 4.34Å; W66-Y81 HydrophobicContact CG-CD1 4.08Å; W66-Y81 AromaticContact CZ3-CD1 3.73Å; W66-Y81 HydrophobicContact CZ3-CD1 3.73Å; W66-Y81 AromaticContact CZ3-CE1 3.45Å; W66-Y81 HydrophobicContact CZ3-CE1 3.45Å; W66-Y81 VanDerWaalsContact CZ3-CE1 3.45Å
67	D	80.7	Confident	81.8	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	102.6	174	175.9	23.8	0	0	0	108.8	M22 K30 T31 L34 F51 N52	M22-D67 HydrophobicContact CE-CB 3.69Å; K30-D67 WeakPolarHBondContact CB-OD1 3.48Å; K30-D67 VanDerWaalsContact CE-OD1 3.29Å; K30-D67 WeakPolarHBondContact CE-OD1 3.05Å; T31-D67 VanDerWaalsContact CA-OD2 3.24Å; T31-D67 WeakPolarHBondContact CA-OD2 3.02Å; T31-D67 WeakPolarHBondContact CB-OD2 3.37Å; T31-D67 PolarHBondContact N-OD2 3.48Å; T31-D67 PolarHBondContact OG1-OD2 2.78Å; L34-D67 HydrophobicContact CD2-CB 3.97Å; F51-D67 CarbonylContact C-O 3.54Å; F51-D67 VanDerWaalsContact CA-O 3.31Å; F51-D67 WeakPolarHBondContact CA-O 3.29Å; N52-D67 HydrophobicContact CB-CB 4.34Å; N52-D67 PolarHBondContact N-O 2.62Å; N52-D67 PolarHBondContact O-N 3.37Å
68	V	79.5	Confident	82.2	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	133.7	-178.1	-164.8	0	0	0	0	109.2	L21 K30 F51 W66 Y81	L21-V68 HydrophobicContact CD1-CG2 4.19Å; K30-V68 WeakPolarHBondContact CE-O 3.14Å; F51-V68 HydrophobicContact CB-CG1 4.31Å; F51-V68 HydrophobicContact CB-CG2 4.31Å; W66-V68 PolarHBondContact O-N 3.12Å; V68-Y81 HydrophobicContact CG2-CD2 3.78Å; V68-Y81 HydrophobicContact CG2-CE2 4.01Å; V68-Y81 HydrophobicContact CG2-CG 4.38Å
69	G	79.7	Confident	82.5	Confident	3 Å²	3	50.5 Å²	50.5	3%	0.031	24%	0.24	C	C	.	.			trans	-56.4	149.6	177.7	0	0	0	0	0	111.4	G50 I74 W78	G50-G69 PolarHBondContact O-N 3.07Å; G69-I74 WeakPolarHBondContact O-CD1 3.36Å; G69-I74 WeakPolarHBondContact O-CG1 3.29Å; G69-W78 PolarHBondContact O-NE1 3.22Å
70	G	80.4	Confident	83	Confident	2 Å²	2	50.7 Å²	50.7	2%	0.021	24%	0.243	C	C	.	.			trans	-110	10.2	-168.9	0	0	0	0	0	115.5	G24 D26 R75	G24-G70 WeakPolarHBondContact O-CA 3.27Å; D26-G70 PolarHBondContact N-O 2.94Å; G70-R75 PolarHBondContact O-NE 3.03Å; G70-R75 PolarHBondContact O-NH2 2.56Å
71	Q	84.8	Confident	83.7	Confident	82 Å²	82	48.3 Å²	48.3	38%	0.383	23%	0.228	S	C	.	.	S	Bend	trans	-71.2	146.9	176.5	-56.2	174.7	9.6	0	0	109.9	D26 R73 I74 R75	D26-Q71 HydrophobicContact CB-CG 3.89Å; Q71-R73 PolarHBondContact O-N 3.42Å; Q71-I74 HydrophobicContact CB-CD1 4.11Å; Q71-I74 HydrophobicContact CB-CG1 3.95Å; Q71-I74 HydrophobicContact CG-CD1 4.36Å; Q71-I74 WeakPolarHBondContact O-CG1 3.25Å; Q71-I74 PolarHBondContact O-N 3Å; Q71-R75 WeakPolarHBondContact O-CG 3.23Å; Q71-R75 PolarHBondContact O-N 2.69Å; Q71-R75 VanDerWaalsContact O-N 3.15Å
72	D	85.5	Confident	84.6	Confident	100 Å²	100	48.8 Å²	48.8	54%	0.535	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.3	-44	-174.4	-56.4	3.3	0	0	0	113.2	I74 R75 P76	D72-I74 PolarHBondContact O-N 2.96Å; D72-R75 IonicContact OD1-CZ 3.25Å; D72-R75 IonicContact OD1-NE 3.77Å; D72-R75 IonicContact OD1-NH1 2.68Å; D72-R75 PolarHBondContact OD1-NH1 3.17Å; D72-R75 IonicContact OD1-NH2 3.48Å; D72-R75 PolarHBondContact OD1-NH2 2.85Å; D72-P76 WeakPolarHBondContact O-CD 3.33Å
73	R	88.9	Confident	85.3	Confident	234 Å²	234	54.1 Å²	54.1	88%	0.883	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-21.7	-176.8	-64.5	-177	-179.3	177.2	0.7	114.1	Q71	Q71-R73 PolarHBondContact O-N 3.42Å
74	I	85.8	Confident	85.8	Confident	29 Å²	29	59.8 Å²	59.8	15%	0.149	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-14.1	-175.3	60.2	177.5	0	0	0	113.4	G69 Q71 D72 P76 L77	G69-I74 WeakPolarHBondContact O-CD1 3.36Å; G69-I74 WeakPolarHBondContact O-CG1 3.29Å; Q71-I74 HydrophobicContact CB-CD1 4.11Å; Q71-I74 HydrophobicContact CB-CG1 3.95Å; Q71-I74 HydrophobicContact CG-CD1 4.36Å; Q71-I74 WeakPolarHBondContact O-CG1 3.25Å; Q71-I74 PolarHBondContact O-N 3Å; D72-I74 PolarHBondContact O-N 2.96Å; I74-P76 VanDerWaalsContact C-N 3.28Å; I74-L77 HydrophobicContact CB-CD1 4.36Å; I74-L77 VanDerWaalsContact O-CB 3.25Å; I74-L77 WeakPolarHBondContact O-CB 3.42Å; I74-L77 PolarHBondContact O-N 2.82Å
75	R	87.7	Confident	86.4	Confident	19 Å²	19	58.8 Å²	58.8	7%	0.072	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-52.3	-36.6	173.5	-65.4	175.5	-163.4	159.9	1.9	114.2	D26 G70 Q71 D72 L77 W78 E102	D26-R75 IonicContact OD1-NH2 2.89Å; G70-R75 PolarHBondContact O-NE 3.03Å; G70-R75 PolarHBondContact O-NH2 2.56Å; Q71-R75 WeakPolarHBondContact O-CG 3.23Å; Q71-R75 PolarHBondContact O-N 2.69Å; Q71-R75 VanDerWaalsContact O-N 3.15Å; D72-R75 IonicContact OD1-CZ 3.25Å; D72-R75 IonicContact OD1-NE 3.77Å; D72-R75 IonicContact OD1-NH1 2.68Å; D72-R75 PolarHBondContact OD1-NH1 3.17Å; D72-R75 IonicContact OD1-NH2 3.48Å; D72-R75 PolarHBondContact OD1-NH2 2.85Å; R75-L77 PolarHBondContact O-N 3.31Å; R75-W78 HydrophobicContact CB-CD2 4.38Å; R75-W78 HydrophobicContact CB-CZ2 4.42Å; R75-W78 HydrophobicContact CG-CH2 4.07Å; R75-W78 HydrophobicContact CG-CZ2 3.75Å; R75-W78 VanDerWaalsContact O-CB 3.27Å; R75-W78 WeakPolarHBondContact O-CB 3.33Å; R75-W78 PolarHBondContact O-N 3.32Å; R75-E102 IonicContact CZ-OE1 3.94Å; R75-E102 IonicContact NH1-OE1 3.78Å; R75-E102 PolarHBondContact NH1-OE1 3.32Å; R75-E102 IonicContact NH2-OE1 3.17Å; R75-E102 PolarHBondContact NH2-OE1 2.66Å
76	P	89.2	Confident	87	Confident	79 Å²	79	61.8 Å²	61.8	51%	0.513	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-58.6	-19.1	175.2	-27.5	36.7	0	0	0	114.6	D72 I74 W78 K79	D72-P76 WeakPolarHBondContact O-CD 3.33Å; I74-P76 VanDerWaalsContact C-N 3.28Å; P76-W78 VanDerWaalsContact C-N 3.31Å; P76-K79 WeakPolarHBondContact O-CD 3.48Å; P76-K79 WeakPolarHBondContact O-CE 3.29Å; P76-K79 VanDerWaalsContact O-CG 3.31Å; P76-K79 WeakPolarHBondContact O-CG 3.42Å
77	L	86.6	Confident	87.7	Confident	74 Å²	74	59.7 Å²	59.7	39%	0.387	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-76.1	-18.5	177.2	-59.9	175.6	0	0	0	112.9	I74 R75 K79 H80 Y81	I74-L77 HydrophobicContact CB-CD1 4.36Å; I74-L77 VanDerWaalsContact O-CB 3.25Å; I74-L77 WeakPolarHBondContact O-CB 3.42Å; I74-L77 PolarHBondContact O-N 2.82Å; R75-L77 PolarHBondContact O-N 3.31Å; L77-K79 PolarHBondContact O-N 3.04Å; L77-K79 VanDerWaalsContact O-N 3.13Å; L77-H80 WeakPolarHBondContact O-CB 3.21Å; L77-H80 PolarHBondContact O-CD2 3.04Å; L77-H80 PolarHBondContact O-N 3.15Å; L77-Y81 WeakPolarHBondContact O-CD2 3.28Å; L77-Y81 WeakPolarHBondContact O-CE2 3.15Å
78	W	90.5	Very high	88.4	Confident	4 Å²	4	59.8 Å²	59.8	2%	0.015	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-54.2	-36.9	-179.7	-65.9	2.4	0	0	0	111.7	V23 G24 G69 R75 P76 H80 Y81 F82 F90 E106 M110	V23-W78 HydrophobicContact CB-CD2 4.27Å; V23-W78 HydrophobicContact CB-CE3 4.33Å; V23-W78 HydrophobicContact CB-CH2 4.39Å; V23-W78 HydrophobicContact CB-CZ2 4.3Å; V23-W78 HydrophobicContact CB-CZ3 4.4Å; V23-W78 HydrophobicContact CG1-CD2 3.98Å; V23-W78 HydrophobicContact CG1-CE3 4.4Å; V23-W78 HydrophobicContact CG1-CG 4.11Å; G24-W78 WeakPolarHBondContact O-CZ2 3.48Å; G69-W78 PolarHBondContact O-NE1 3.22Å; R75-W78 HydrophobicContact CB-CD2 4.38Å; R75-W78 HydrophobicContact CB-CZ2 4.42Å; R75-W78 HydrophobicContact CG-CH2 4.07Å; R75-W78 HydrophobicContact CG-CZ2 3.75Å; R75-W78 VanDerWaalsContact O-CB 3.27Å; R75-W78 WeakPolarHBondContact O-CB 3.33Å; R75-W78 PolarHBondContact O-N 3.32Å; P76-W78 VanDerWaalsContact C-N 3.31Å; W78-H80 PolarHBondContact O-N 2.82Å; W78-H80 VanDerWaalsContact O-N 3.12Å; W78-Y81 PolarHBondContact O-N 2.96Å; W78-F82 VanDerWaalsContact C-CE1 3.44Å; W78-F82 HydrophobicContact CB-CE1 3.84Å; W78-F82 HydrophobicContact CB-CZ 3.93Å; W78-F82 VanDerWaalsContact O-CD1 3.23Å; W78-F82 WeakPolarHBondContact O-CD1 3.38Å; W78-F82 WeakPolarHBondContact O-CE1 2.99Å; W78-F90 HydrophobicContact CZ3-CE2 4.5Å; W78-E106 HydrophobicContact CZ3-CB 4.26Å; W78-M110 HydrophobicContact CE3-CG 4.21Å; W78-M110 HydrophobicContact CE3-SD 3.45Å; W78-M110 HydrophobicContact CZ3-CG 4.49Å; W78-M110 HydrophobicContact CZ3-SD 3.64Å
79	K	89.6	Confident	89.2	Confident	125 Å²	125	60 Å²	60	54%	0.543	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-58.2	-27.1	-179.5	75.5	-170.3	174	174.9	0	114.8	P76 L77 Y81 F82	P76-K79 WeakPolarHBondContact O-CD 3.48Å; P76-K79 WeakPolarHBondContact O-CE 3.29Å; P76-K79 VanDerWaalsContact O-CG 3.31Å; P76-K79 WeakPolarHBondContact O-CG 3.42Å; L77-K79 PolarHBondContact O-N 3.04Å; L77-K79 VanDerWaalsContact O-N 3.13Å; K79-Y81 PolarHBondContact O-N 2.85Å; K79-F82 VanDerWaalsContact CA-CD2 3.49Å; K79-F82 VanDerWaalsContact CA-CE2 3.42Å; K79-F82 HydrophobicContact CB-CD2 4.02Å; K79-F82 HydrophobicContact CB-CE2 3.79Å; K79-F82 HydrophobicContact CB-CZ 4.38Å; K79-F82 PolarHBondContact O-N 2.72Å
80	H	88.4	Confident	90.1	Very high	121 Å²	121	59.9 Å²	59.9	56%	0.56	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-69.8	-12.8	178.5	-62	-58.6	0	0	0	113	L77 W78	L77-H80 WeakPolarHBondContact O-CB 3.21Å; L77-H80 PolarHBondContact O-CD2 3.04Å; L77-H80 PolarHBondContact O-N 3.15Å; W78-H80 PolarHBondContact O-N 2.82Å; W78-H80 VanDerWaalsContact O-N 3.12Å
81	Y	88.6	Confident	90.9	Very high	36 Å²	36	59.8 Å²	59.8	14%	0.141	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-110.5	0.1	-177.2	-55.6	-78.2	0	0	0	113.4	F51 W66 V68 L77 W78 K79 T85	F51-Y81 WeakPolarHBondContact CD1-OH 3.07Å; F51-Y81 HydrophobicContact CD2-CE1 4.15Å; F51-Y81 WeakPolarHBondContact CD2-OH 3.39Å; F51-Y81 WeakPolarHBondContact CE1-OH 3.29Å; F51-Y81 HydrophobicContact CE2-CE1 4.3Å; F51-Y81 HydrophobicContact CG-CE1 4.45Å; F51-Y81 AromaticContact CG-CZ 3.86Å; F51-Y81 WeakPolarHBondContact CG-OH 3.49Å; F51-Y81 WeakPolarHBondContact CZ-OH 3.27Å; W66-Y81 HydrophobicContact CB-CD1 4.28Å; W66-Y81 HydrophobicContact CB-CG 4.47Å; W66-Y81 AromaticContact CD2-CD1 3.6Å; W66-Y81 HydrophobicContact CD2-CD1 3.6Å; W66-Y81 HydrophobicContact CD2-CE1 4.08Å; W66-Y81 AromaticContact CE3-CD1 3.17Å; W66-Y81 HydrophobicContact CE3-CD1 3.17Å; W66-Y81 AromaticContact CE3-CE1 3.16Å; W66-Y81 HydrophobicContact CE3-CE1 3.16Å; W66-Y81 HydrophobicContact CE3-CG 4.34Å; W66-Y81 HydrophobicContact CG-CD1 4.08Å; W66-Y81 AromaticContact CZ3-CD1 3.73Å; W66-Y81 HydrophobicContact CZ3-CD1 3.73Å; W66-Y81 AromaticContact CZ3-CE1 3.45Å; W66-Y81 HydrophobicContact CZ3-CE1 3.45Å; W66-Y81 VanDerWaalsContact CZ3-CE1 3.45Å; V68-Y81 HydrophobicContact CG2-CD2 3.78Å; V68-Y81 HydrophobicContact CG2-CE2 4.01Å; V68-Y81 HydrophobicContact CG2-CG 4.38Å; L77-Y81 WeakPolarHBondContact O-CD2 3.28Å; L77-Y81 WeakPolarHBondContact O-CE2 3.15Å; W78-Y81 PolarHBondContact O-N 2.96Å; K79-Y81 PolarHBondContact O-N 2.85Å; Y81-T85 PolarHBondContact O-OG1 3.46Å
82	F	92.5	Very high	91.5	Very high	12 Å²	12	56 Å²	56	5%	0.053	27%	0.265	C	S	.	.			trans	-70.5	-35	-177.3	-64	-14	0	0	0	112.9	L21 W78 K79 N84 T85 M110 V113 E115 L116	L21-F82 HydrophobicContact CD2-CD1 3.42Å; L21-F82 VanDerWaalsContact CD2-CD1 3.42Å; L21-F82 HydrophobicContact CD2-CE1 3.63Å; W78-F82 VanDerWaalsContact C-CE1 3.44Å; W78-F82 HydrophobicContact CB-CE1 3.84Å; W78-F82 HydrophobicContact CB-CZ 3.93Å; W78-F82 VanDerWaalsContact O-CD1 3.23Å; W78-F82 WeakPolarHBondContact O-CD1 3.38Å; W78-F82 WeakPolarHBondContact O-CE1 2.99Å; K79-F82 VanDerWaalsContact CA-CD2 3.49Å; K79-F82 VanDerWaalsContact CA-CE2 3.42Å; K79-F82 HydrophobicContact CB-CD2 4.02Å; K79-F82 HydrophobicContact CB-CE2 3.79Å; K79-F82 HydrophobicContact CB-CZ 4.38Å; K79-F82 PolarHBondContact O-N 2.72Å; F82-N84 PolarHBondContact O-N 3.13Å; F82-T85 WeakPolarHBondContact O-CB 3.26Å; F82-T85 PolarHBondContact O-N 3.17Å; F82-T85 PolarHBondContact O-OG1 2.96Å; F82-T85 VanDerWaalsContact O-OG1 3.06Å; F82-M110 HydrophobicContact CD1-CE 4.32Å; F82-M110 HydrophobicContact CE1-CE 3.43Å; F82-M110 VanDerWaalsContact CE1-CE 3.43Å; F82-M110 HydrophobicContact CZ-CE 3.84Å; F82-M110 HydrophobicContact CZ-CG 4.09Å; F82-V113 HydrophobicContact CD2-CB 4.13Å; F82-V113 HydrophobicContact CD2-CG1 3.56Å; F82-V113 HydrophobicContact CD2-CG2 4.2Å; F82-V113 HydrophobicContact CE2-CB 4.22Å; F82-V113 HydrophobicContact CE2-CG1 4.04Å; F82-V113 HydrophobicContact CE2-CG2 3.81Å; F82-E115 HydrophobicContact CB-CB 3.84Å; F82-L116 HydrophobicContact CB-CD2 4Å; F82-L116 HydrophobicContact CB-CG 3.99Å; F82-L116 HydrophobicContact CD1-CD1 3.72Å; F82-L116 HydrophobicContact CD1-CD2 4.13Å; F82-L116 HydrophobicContact CD1-CG 4.1Å; F82-L116 HydrophobicContact CD2-CD1 4.16Å; F82-L116 HydrophobicContact CD2-CG 4.34Å; F82-L116 HydrophobicContact CE1-CD1 3.87Å; F82-L116 HydrophobicContact CE2-CD1 4.29Å; F82-L116 HydrophobicContact CG-CD1 3.87Å; F82-L116 HydrophobicContact CG-CD2 4.17Å; F82-L116 HydrophobicContact CG-CG 3.89Å; F82-L116 HydrophobicContact CZ-CD1 4.15Å
83	Q	91.1	Very high	92.1	Very high	126 Å²	126	52 Å²	52	59%	0.589	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	130.8	-178.3	-70.5	-175.2	-14.2	0	0	112.1	T85 E115	Q83-T85 PolarHBondContact O-N 3.36Å; Q83-E115 HydrophobicContact CG-CG 4.22Å
84	N	90.5	Very high	92.6	Very high	124 Å²	124	40.9 Å²	40.9	66%	0.663	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.1	17.2	-179	-51.6	-55.3	0	0	0	114.7	R19 F82 Q86	R19-N84 VanDerWaalsContact CB-O 3.27Å; R19-N84 WeakPolarHBondContact CB-O 3.4Å; F82-N84 PolarHBondContact O-N 3.13Å; N84-Q86 PolarHBondContact O-N 3.24Å
85	T	92.7	Very high	93.2	Very high	11 Å²	11	41.9 Å²	41.9	7%	0.067	21%	0.207	C	C	.	.			trans	-71.5	120	174.3	-67.7	0	0	0	0	110	L21 Y81 F82 Q83 G87 L116 A119	L21-T85 HydrophobicContact CB-CG2 3.72Å; Y81-T85 PolarHBondContact O-OG1 3.46Å; F82-T85 WeakPolarHBondContact O-CB 3.26Å; F82-T85 PolarHBondContact O-N 3.17Å; F82-T85 PolarHBondContact O-OG1 2.96Å; F82-T85 VanDerWaalsContact O-OG1 3.06Å; Q83-T85 PolarHBondContact O-N 3.36Å; T85-G87 WeakPolarHBondContact CG2-O 3.3Å; T85-L116 HydrophobicContact CG2-CD2 3.86Å; T85-A119 HydrophobicContact CG2-CB 4.41Å
86	Q	93.5	Very high	93.7	Very high	72 Å²	72	42.5 Å²	42.5	34%	0.336	21%	0.212	S	C	.	.			trans	-95.5	-31.5	-179.1	-65.8	162.8	-79.2	0	0	111.6	M18 R19 N84 A119 V120 L177	M18-Q86 VanDerWaalsContact CA-OE1 3.3Å; M18-Q86 PolarHBondContact SD-NE2 2.64Å; R19-Q86 PolarHBondContact O-N 3.07Å; N84-Q86 PolarHBondContact O-N 3.24Å; Q86-A119 WeakPolarHBondContact O-CA 3.47Å; Q86-V120 PolarHBondContact O-N 3.4Å; Q86-L177 HydrophobicContact CB-CD2 4.18Å; Q86-L177 VanDerWaalsContact O-CD2 3.25Å; Q86-L177 WeakPolarHBondContact O-CD2 3.43Å
87	G	94.8	Very high	94.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	140.1	174.3	0	0	0	0	0	111.3	R19 I20 L21 T85 V120	R19-G87 PolarHBondContact O-N 2.81Å; I20-G87 VanDerWaalsContact CA-O 3.29Å; I20-G87 WeakPolarHBondContact CA-O 3.46Å; L21-G87 PolarHBondContact N-O 3.02Å; T85-G87 WeakPolarHBondContact CG2-O 3.3Å; G87-V120 CarbonylContact C-O 3.54Å; G87-V120 WeakPolarHBondContact CA-O 3.36Å
88	L	96	Very high	94.6	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	116.4	177.5	176.6	62.5	0	0	0	108.2	L21 V23 M110 L111 L116 A119 V120 L121 L122	L21-L88 HydrophobicContact CB-CD1 4.12Å; L21-L88 HydrophobicContact CD2-CD1 4.17Å; L21-L88 HydrophobicContact CG-CD1 4.12Å; V23-L88 HydrophobicContact CG2-CD1 3.55Å; L88-M110 HydrophobicContact CD1-CE 3.66Å; L88-M110 HydrophobicContact CD2-CE 4.06Å; L88-L111 HydrophobicContact CD2-CD2 4.36Å; L88-L116 HydrophobicContact CD2-CD1 4.43Å; L88-A119 HydrophobicContact CB-CB 4.42Å; L88-V120 PolarHBondContact N-O 3.36Å; L88-L121 HydrophobicContact CB-CD1 4.39Å; L88-L121 HydrophobicContact CD2-CD1 3.95Å; L88-L121 HydrophobicContact CG-CD1 4.02Å; L88-L121 CarbonylContact O-C 3.45Å; L88-L121 WeakPolarHBondContact O-CA 3.33Å; L88-L122 PolarHBondContact O-N 3.01Å
89	I	97	Very high	94.9	Very high	6 Å²	6	51.6 Å²	51.6	3%	0.031	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	113	169.3	-60	179.3	0	0	0	107.7	I20 L21 M22 V23 V91 L122 F124 L170 L173	I20-I89 HydrophobicContact CG2-CD1 3.67Å; I20-I89 HydrophobicContact CG2-CG1 3.69Å; L21-I89 PolarHBondContact O-N 3.4Å; M22-I89 VanDerWaalsContact CA-O 3.3Å; M22-I89 WeakPolarHBondContact CA-O 3.22Å; M22-I89 HydrophobicContact CB-CB 4.23Å; M22-I89 HydrophobicContact CG-CB 4.11Å; M22-I89 HydrophobicContact CG-CG2 3.99Å; M22-I89 HydrophobicContact SD-CG2 4.49Å; V23-I89 PolarHBondContact N-O 3.36Å; I89-V91 HydrophobicContact CG2-CG2 4.08Å; I89-L122 CarbonylContact C-O 3.59Å; I89-L122 VanDerWaalsContact CA-O 3.27Å; I89-L122 WeakPolarHBondContact CA-O 3.37Å; I89-L122 HydrophobicContact CD1-CD2 4.42Å; I89-L122 HydrophobicContact CG1-CB 4.35Å; I89-L122 HydrophobicContact CG1-CD2 4.23Å; I89-F124 HydrophobicContact CD1-CE2 4.36Å; I89-F124 HydrophobicContact CG2-CD2 3.38Å; I89-F124 HydrophobicContact CG2-CE2 3.69Å; I89-F124 HydrophobicContact CG2-CG 4.37Å; I89-L170 HydrophobicContact CD1-CD2 4Å; I89-L173 HydrophobicContact CD1-CD2 3.96Å; I89-L173 HydrophobicContact CG1-CD2 3.85Å
90	F	97.4	Very high	95.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	118.5	175.1	-156.4	-72.8	0	0	0	109.5	V23 W78 V92 V103 L107 M110 L121 L122 L123 F124	V23-F90 HydrophobicContact CG2-CD2 3.83Å; V23-F90 HydrophobicContact CG2-CE2 4.24Å; V23-F90 CarbonylContact O-C 3.52Å; V23-F90 WeakPolarHBondContact O-CA 3.43Å; W78-F90 HydrophobicContact CZ3-CE2 4.5Å; F90-V92 HydrophobicContact CD1-CG2 3.82Å; F90-V92 HydrophobicContact CE1-CG2 4.1Å; F90-V103 HydrophobicContact CE1-CG1 3.76Å; F90-V103 HydrophobicContact CZ-CG1 4.39Å; F90-L107 HydrophobicContact CB-CD1 4.4Å; F90-L107 HydrophobicContact CD2-CB 4.43Å; F90-L107 HydrophobicContact CD2-CD1 3.57Å; F90-L107 HydrophobicContact CE2-CB 3.99Å; F90-L107 HydrophobicContact CE2-CD1 3.96Å; F90-L107 HydrophobicContact CG-CD1 3.97Å; F90-L107 HydrophobicContact CZ-CB 4.11Å; F90-M110 HydrophobicContact CD2-SD 4.28Å; F90-M110 HydrophobicContact CE2-SD 3.92Å; F90-L121 HydrophobicContact CB-CD1 3.98Å; F90-L122 PolarHBondContact N-O 3.27Å; F90-L123 CarbonylContact O-C 3.6Å; F90-L123 VanDerWaalsContact O-CA 3.29Å; F90-L123 WeakPolarHBondContact O-CA 3.34Å; F90-F124 PolarHBondContact O-N 2.88Å
91	V	98.1	Very high	95.7	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	126.4	-176.7	-170.8	0	0	0	0	109.6	M22 V23 G24 A28 K30 I33 I89 F124 N126	M22-V91 HydrophobicContact CG-CG2 3.86Å; M22-V91 HydrophobicContact SD-CG2 4.07Å; V23-V91 PolarHBondContact O-N 2.91Å; G24-V91 WeakPolarHBondContact CA-O 3.36Å; A28-V91 HydrophobicContact CB-CB 4.32Å; A28-V91 HydrophobicContact CB-CG1 4.06Å; A28-V91 WeakPolarHBondContact CB-O 3.41Å; A28-V91 WeakPolarHBondContact O-CG1 3.33Å; K30-V91 HydrophobicContact CG-CB 3.84Å; K30-V91 HydrophobicContact CG-CG1 4.44Å; K30-V91 HydrophobicContact CG-CG2 3.81Å; I33-V91 HydrophobicContact CD1-CB 4.47Å; I33-V91 HydrophobicContact CD1-CG1 3.66Å; I33-V91 HydrophobicContact CD1-CG2 3.89Å; I89-V91 HydrophobicContact CG2-CG2 4.08Å; V91-F124 HydrophobicContact CG1-CB 4.44Å; V91-F124 HydrophobicContact CG2-CB 4.43Å; V91-F124 HydrophobicContact CG2-CD2 4.44Å; V91-N126 HydrophobicContact CG1-CB 3.95Å
92	V	98.3	Very high	96.1	Very high	1 Å²	1	47 Å²	47	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	131.4	-179.9	-175.4	0	0	0	0	109.3	F90 S94 I100 V103 L123 F124 N126 M139 L143	F90-V92 HydrophobicContact CD1-CG2 3.82Å; F90-V92 HydrophobicContact CE1-CG2 4.1Å; V92-S94 PolarHBondContact O-N 3.32Å; V92-I100 HydrophobicContact CG1-CD1 4.13Å; V92-V103 HydrophobicContact CG1-CG1 4.1Å; V92-V103 HydrophobicContact CG1-CG2 4.42Å; V92-V103 HydrophobicContact CG2-CG1 3.76Å; V92-L123 HydrophobicContact CB-CD2 4.37Å; V92-L123 HydrophobicContact CG2-CD1 3.96Å; V92-L123 HydrophobicContact CG2-CD2 3.86Å; V92-L123 HydrophobicContact CG2-CG 4.02Å; V92-F124 PolarHBondContact N-O 3.44Å; V92-N126 WeakPolarHBondContact O-CB 3.38Å; V92-N126 PolarHBondContact O-N 3.01Å; V92-M139 HydrophobicContact CB-CE 3.96Å; V92-M139 HydrophobicContact CB-SD 3.9Å; V92-M139 HydrophobicContact CG1-CE 3.55Å; V92-M139 HydrophobicContact CG1-SD 3.91Å; V92-M139 HydrophobicContact CG2-SD 4.29Å; V92-L143 HydrophobicContact CG2-CD1 4.25Å
93	D	98.2	Very high	96.3	Very high	18 Å²	18	46.8 Å²	46.8	10%	0.096	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	107.9	165.9	-172.9	-20.6	0	0	0	108.8	N95 D96 K127	D93-N95 PolarHBondContact O-N 3.13Å; D93-N95 WeakPolarHBondContact OD1-CA 3.3Å; D93-N95 WeakPolarHBondContact OD1-CB 3.47Å; D93-N95 PolarHBondContact OD1-N 3.22Å; D93-D96 HydrophobicContact CB-CB 3.78Å; D93-D96 PolarHBondContact O-N 2.83Å; D93-D96 PolarHBondContact OD1-N 3.18Å; D93-K127 WeakPolarHBondContact OD1-CD 3.05Å; D93-K127 VanDerWaalsContact OD2-CE 3.23Å; D93-K127 WeakPolarHBondContact OD2-CE 3.16Å; D93-K127 IonicContact OD2-NZ 3.13Å; D93-K127 PolarHBondContact OD2-NZ 3.4Å
94	S	98.6	Very high	96.6	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-22.5	-178.5	-51	0	0	0	0	112.4	V92 A125 N126 Q128 A133 M134 M139	V92-S94 PolarHBondContact O-N 3.32Å; S94-A125 PolarHBondContact OG-O 3.34Å; S94-N126 WeakPolarHBondContact CB-O 3.2Å; S94-N126 PolarHBondContact N-O 2.81Å; S94-N126 PolarHBondContact OG-N 3.21Å; S94-N126 PolarHBondContact OG-O 3.35Å; S94-Q128 VanDerWaalsContact CB-NE2 3.26Å; S94-Q128 PolarHBondContact OG-NE2 3.28Å; S94-A133 CarbonylContact O-C 3.53Å; S94-A133 WeakPolarHBondContact O-CA 3.36Å; S94-M134 WeakPolarHBondContact O-CE 3.45Å; S94-M134 WeakPolarHBondContact O-CG 3.23Å; S94-M134 PolarHBondContact O-N 3.13Å; S94-M139 WeakPolarHBondContact OG-CE 3.36Å
95	N	98.1	Very high	96.9	Very high	49 Å²	49	38.8 Å²	38.8	26%	0.262	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-13.1	-178.2	-165.1	80.5	0	0	0	112.3	D93 R97 L130 N132 A133	D93-N95 PolarHBondContact O-N 3.13Å; D93-N95 WeakPolarHBondContact OD1-CA 3.3Å; D93-N95 WeakPolarHBondContact OD1-CB 3.47Å; D93-N95 PolarHBondContact OD1-N 3.22Å; N95-R97 PolarHBondContact O-N 2.8Å; N95-L130 HydrophobicContact CB-CB 3.87Å; N95-L130 HydrophobicContact CB-CD1 3.58Å; N95-L130 HydrophobicContact CB-CG 4.35Å; N95-L130 VanDerWaalsContact OD1-CB 3.3Å; N95-L130 WeakPolarHBondContact OD1-CB 3.08Å; N95-N132 VanDerWaalsContact OD1-C 3.31Å; N95-N132 WeakPolarHBondContact OD1-CA 3.4Å; N95-N132 VanDerWaalsContact OD1-CB 3.32Å; N95-N132 WeakPolarHBondContact OD1-CB 3.24Å; N95-N132 PolarHBondContact OD1-N 2.72Å; N95-N132 VanDerWaalsContact OD1-N 3.14Å; N95-A133 PolarHBondContact OD1-N 3.38Å
96	D	97.7	Very high	97	Very high	32 Å²	32	39.5 Å²	39.5	17%	0.171	19%	0.186	C	C	.	.			trans	-88.6	77.4	177	-163.3	-27.7	0	0	0	111.4	D93 E98 R99	D93-D96 HydrophobicContact CB-CB 3.78Å; D93-D96 PolarHBondContact O-N 2.83Å; D93-D96 PolarHBondContact OD1-N 3.18Å; D96-E98 VanDerWaalsContact C-N 3.26Å; D96-E98 PolarHBondContact O-N 3.41Å; D96-E98 PolarHBondContact OD1-N 3.29Å; D96-R99 PolarHBondContact OD1-N 3.45Å; D96-R99 VanDerWaalsContact OD1-N 3.09Å; D96-R99 IonicContact OD1-NE 2.75Å; D96-R99 IonicContact OD2-CZ 2.63Å; D96-R99 IonicContact OD2-NE 2.73Å; D96-R99 PolarHBondContact OD2-NE 2.97Å; D96-R99 IonicContact OD2-NH2 2.98Å; D96-R99 PolarHBondContact OD2-NH2 3.15Å
97	R	97.4	Very high	97.1	Very high	99 Å²	99	36.1 Å²	36.1	37%	0.374	17%	0.17	S	C	.	.			trans	-70.6	-22.7	179.7	-65.6	180	174.8	-101.9	-5	112.9	N95 I100 N132 A133 M134 E138	N95-R97 PolarHBondContact O-N 2.8Å; R97-I100 VanDerWaalsContact O-CG2 3.24Å; R97-I100 WeakPolarHBondContact O-CG2 3.27Å; R97-N132 PolarHBondContact NE-O 2.77Å; R97-N132 PolarHBondContact NH2-O 3.01Å; R97-A133 PolarHBondContact NH2-O 3.21Å; R97-M134 HydrophobicContact CG-CE 4.31Å; R97-M134 HydrophobicContact CG-CG 3.83Å; R97-M134 HydrophobicContact CG-SD 4.06Å; R97-E138 IonicContact CZ-OE1 2.87Å; R97-E138 IonicContact CZ-OE2 2.69Å; R97-E138 IonicContact NH1-OE1 3.21Å; R97-E138 PolarHBondContact NH1-OE1 3.41Å; R97-E138 IonicContact NH1-OE2 3.85Å; R97-E138 PolarHBondContact NH1-OE2 3.42Å; R97-E138 IonicContact NH2-OE2 2.69Å; R97-E138 PolarHBondContact NH2-OE2 3.46Å
98	E	97.3	Very high	97.2	Very high	188 Å²	188	39.1 Å²	39.1	88%	0.879	18%	0.184	S	C	*	.	S	Bend	trans	-73.1	-38.8	-176.9	-65.7	-177.5	178.2	0	0	111.5	D96	D96-E98 VanDerWaalsContact C-N 3.26Å; D96-E98 PolarHBondContact O-N 3.41Å; D96-E98 PolarHBondContact OD1-N 3.29Å
99	R	97	Very high	97.1	Very high	62 Å²	62	44.6 Å²	44.6	23%	0.234	21%	0.208	C	C	.	.	S	Bend	trans	-92.9	7.6	-179	-64.7	-170.6	-68.5	169	1.4	114.7	L25 D26 D96 Q101 E102 V103	L25-R99 HydrophobicContact CD1-CB 4.03Å; D26-R99 VanDerWaalsContact CG-NH1 3.32Å; D26-R99 PolarHBondContact O-NH2 3.12Å; D26-R99 IonicContact OD1-NH1 2.93Å; D26-R99 PolarHBondContact OD1-NH1 3.4Å; D26-R99 IonicContact OD2-CZ 2.56Å; D26-R99 IonicContact OD2-NH1 2.57Å; D26-R99 PolarHBondContact OD2-NH1 3.42Å; D26-R99 IonicContact OD2-NH2 3.75Å; D96-R99 PolarHBondContact OD1-N 3.45Å; D96-R99 VanDerWaalsContact OD1-N 3.09Å; D96-R99 IonicContact OD1-NE 2.75Å; D96-R99 IonicContact OD2-CZ 2.63Å; D96-R99 IonicContact OD2-NE 2.73Å; D96-R99 PolarHBondContact OD2-NE 2.97Å; D96-R99 IonicContact OD2-NH2 2.98Å; D96-R99 PolarHBondContact OD2-NH2 3.15Å; R99-Q101 VanDerWaalsContact C-N 3.27Å; R99-Q101 PolarHBondContact O-N 2.96Å; R99-E102 WeakPolarHBondContact CD-OE2 3.49Å; R99-E102 WeakPolarHBondContact CG-OE2 3.43Å; R99-E102 WeakPolarHBondContact O-CB 3.34Å; R99-E102 PolarHBondContact O-N 3.3Å; R99-E102 VanDerWaalsContact O-N 3.08Å; R99-V103 WeakPolarHBondContact O-CG2 3.48Å; R99-V103 PolarHBondContact O-N 3.02Å
100	I	97.4	Very high	96.9	Very high	14 Å²	14	44.6 Å²	44.6	7%	0.072	21%	0.207	C	C	.	.	H	α-helix	trans	-62.7	-31.4	-176.4	-166.9	54.3	0	0	0	113.7	V92 R97 V103 A104 M134 K142 L143	V92-I100 HydrophobicContact CG1-CD1 4.13Å; R97-I100 VanDerWaalsContact O-CG2 3.24Å; R97-I100 WeakPolarHBondContact O-CG2 3.27Å; I100-V103 HydrophobicContact CD1-CB 4.26Å; I100-V103 HydrophobicContact CD1-CG1 4.4Å; I100-V103 WeakPolarHBondContact O-CB 3.41Å; I100-V103 PolarHBondContact O-N 3.25Å; I100-A104 PolarHBondContact O-N 2.91Å; I100-M134 HydrophobicContact CB-CE 4.14Å; I100-M134 HydrophobicContact CB-SD 4.35Å; I100-M134 HydrophobicContact CD1-CE 3.81Å; I100-M134 HydrophobicContact CD1-SD 4.35Å; I100-M134 HydrophobicContact CG1-CE 3.96Å; I100-M134 HydrophobicContact CG1-SD 3.99Å; I100-K142 HydrophobicContact CB-CD 4.47Å; I100-K142 HydrophobicContact CG1-CB 3.91Å; I100-K142 HydrophobicContact CG1-CD 3.81Å; I100-K142 HydrophobicContact CG2-CD 3.91Å; I100-L143 HydrophobicContact CD1-CD2 3.72Å; I100-L143 HydrophobicContact CD1-CG 4.23Å; I100-L143 HydrophobicContact CG1-CD2 4.47Å
101	Q	96.8	Very high	96.7	Very high	117 Å²	117	45.4 Å²	45.4	55%	0.547	21%	0.211	S	C	.	.	H	α-helix	trans	-69.3	-40.5	174.7	-174.6	59.7	53	0	0	111.3	R99 V103 A104 D105	R99-Q101 VanDerWaalsContact C-N 3.27Å; R99-Q101 PolarHBondContact O-N 2.96Å; Q101-V103 VanDerWaalsContact C-N 3.32Å; Q101-V103 PolarHBondContact O-N 3.47Å; Q101-A104 WeakPolarHBondContact O-CB 3.27Å; Q101-A104 PolarHBondContact O-N 3.17Å; Q101-A104 VanDerWaalsContact O-N 3.16Å; Q101-D105 PolarHBondContact NE2-OD1 2.88Å; Q101-D105 VanDerWaalsContact O-CG 3.26Å; Q101-D105 PolarHBondContact O-N 3.43Å
102	E	97.2	Very high	96.5	Very high	53 Å²	53	52.3 Å²	52.3	25%	0.248	25%	0.248	C	C	.	.	H	α-helix	trans	-62.9	-40.4	174.7	-179.5	-177.8	-162	0	0	111.3	L25 R75 R99 A104 D105 E106	L25-E102 HydrophobicContact CD1-CB 4.29Å; L25-E102 HydrophobicContact CD1-CG 3.96Å; R75-E102 IonicContact CZ-OE1 3.94Å; R75-E102 IonicContact NH1-OE1 3.78Å; R75-E102 PolarHBondContact NH1-OE1 3.32Å; R75-E102 IonicContact NH2-OE1 3.17Å; R75-E102 PolarHBondContact NH2-OE1 2.66Å; R99-E102 WeakPolarHBondContact CD-OE2 3.49Å; R99-E102 WeakPolarHBondContact CG-OE2 3.43Å; R99-E102 WeakPolarHBondContact O-CB 3.34Å; R99-E102 PolarHBondContact O-N 3.3Å; R99-E102 VanDerWaalsContact O-N 3.08Å; E102-A104 PolarHBondContact O-N 3.26Å; E102-D105 PolarHBondContact O-N 2.9Å; E102-E106 WeakPolarHBondContact O-CG 3.36Å; E102-E106 PolarHBondContact O-N 3.39Å
103	V	97.5	Very high	96.4	Very high	8 Å²	8	54 Å²	54	5%	0.048	26%	0.258	C	S	.	.	H	α-helix	trans	-57.4	-47.9	171	175.1	0	0	0	0	110.9	L25 F90 V92 R99 I100 Q101 E106 L107 L143	L25-V103 HydrophobicContact CD1-CG2 3.52Å; L25-V103 HydrophobicContact CG-CG2 3.77Å; F90-V103 HydrophobicContact CE1-CG1 3.76Å; F90-V103 HydrophobicContact CZ-CG1 4.39Å; V92-V103 HydrophobicContact CG1-CG1 4.1Å; V92-V103 HydrophobicContact CG1-CG2 4.42Å; V92-V103 HydrophobicContact CG2-CG1 3.76Å; R99-V103 WeakPolarHBondContact O-CG2 3.48Å; R99-V103 PolarHBondContact O-N 3.02Å; I100-V103 HydrophobicContact CD1-CB 4.26Å; I100-V103 HydrophobicContact CD1-CG1 4.4Å; I100-V103 WeakPolarHBondContact O-CB 3.41Å; I100-V103 PolarHBondContact O-N 3.25Å; Q101-V103 VanDerWaalsContact C-N 3.32Å; Q101-V103 PolarHBondContact O-N 3.47Å; V103-E106 PolarHBondContact O-N 2.92Å; V103-L107 WeakPolarHBondContact O-CB 3.5Å; V103-L107 PolarHBondContact O-N 3.06Å; V103-L143 HydrophobicContact CB-CD2 4.18Å; V103-L143 HydrophobicContact CG1-CD2 3.61Å
104	A	97.5	Very high	96.2	Very high	6 Å²	6	57.9 Å²	57.9	5%	0.05	28%	0.279	C	S	.	.	H	α-helix	trans	-60.3	-46.7	179.2	0	0	0	0	0	111.3	I100 Q101 E102 E106 L107 Q108 L143	I100-A104 PolarHBondContact O-N 2.91Å; Q101-A104 WeakPolarHBondContact O-CB 3.27Å; Q101-A104 PolarHBondContact O-N 3.17Å; Q101-A104 VanDerWaalsContact O-N 3.16Å; E102-A104 PolarHBondContact O-N 3.26Å; A104-E106 PolarHBondContact O-N 2.9Å; A104-L107 PolarHBondContact O-N 2.94Å; A104-Q108 WeakPolarHBondContact O-CB 3.39Å; A104-Q108 VanDerWaalsContact O-CG 3.27Å; A104-Q108 WeakPolarHBondContact O-CG 3.36Å; A104-Q108 PolarHBondContact O-N 3.5Å; A104-L143 HydrophobicContact CB-CD2 3.87Å
105	D	96.2	Very high	96	Very high	76 Å²	76	62.4 Å²	62.4	41%	0.406	30%	0.3	S	S	.	.	H	α-helix	trans	-62.5	-44.7	-179.6	-66.2	-10.7	0	0	0	111.6	Q101 E102 Q108 K109	Q101-D105 PolarHBondContact NE2-OD1 2.88Å; Q101-D105 VanDerWaalsContact O-CG 3.26Å; Q101-D105 PolarHBondContact O-N 3.43Å; E102-D105 PolarHBondContact O-N 2.9Å; D105-Q108 PolarHBondContact O-N 2.85Å; D105-K109 VanDerWaalsContact O-CG 3.22Å; D105-K109 WeakPolarHBondContact O-CG 3.37Å; D105-K109 PolarHBondContact O-N 3.09Å
106	E	95.3	Very high	95.9	Very high	27 Å²	27	60 Å²	60	13%	0.126	29%	0.287	C	S	.	.	H	α-helix	trans	-66.3	-42.1	177.1	-70.6	-56.5	130.8	0	0	112.2	L25 W78 E102 V103 A104 K109 M110	L25-E106 HydrophobicContact CD2-CG 4.18Å; W78-E106 HydrophobicContact CZ3-CB 4.26Å; E102-E106 WeakPolarHBondContact O-CG 3.36Å; E102-E106 PolarHBondContact O-N 3.39Å; V103-E106 PolarHBondContact O-N 2.92Å; A104-E106 PolarHBondContact O-N 2.9Å; E106-K109 PolarHBondContact O-N 3.08Å; E106-K109 IonicContact OE1-NZ 3.17Å; E106-K109 PolarHBondContact OE1-NZ 3.45Å; E106-M110 WeakPolarHBondContact O-CG 3.34Å; E106-M110 PolarHBondContact O-N 3.13Å; E106-M110 VanDerWaalsContact O-N 3.07Å
107	L	96.3	Very high	95.7	Very high	0 Å²	0	66 Å²	66	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60.2	-49.5	174.6	178	61.9	0	0	0	110.6	F90 V103 A104 K109 M110 L111 L121 L123 L143 L145	F90-L107 HydrophobicContact CB-CD1 4.4Å; F90-L107 HydrophobicContact CD2-CB 4.43Å; F90-L107 HydrophobicContact CD2-CD1 3.57Å; F90-L107 HydrophobicContact CE2-CB 3.99Å; F90-L107 HydrophobicContact CE2-CD1 3.96Å; F90-L107 HydrophobicContact CG-CD1 3.97Å; F90-L107 HydrophobicContact CZ-CB 4.11Å; V103-L107 WeakPolarHBondContact O-CB 3.5Å; V103-L107 PolarHBondContact O-N 3.06Å; A104-L107 PolarHBondContact O-N 2.94Å; L107-K109 PolarHBondContact O-N 3.39Å; L107-M110 WeakPolarHBondContact O-CB 3.38Å; L107-M110 PolarHBondContact O-N 3.09Å; L107-M110 VanDerWaalsContact O-N 3.1Å; L107-L111 HydrophobicContact CD1-CD1 4.06Å; L107-L111 HydrophobicContact CD1-CD2 4.14Å; L107-L111 HydrophobicContact CD1-CG 3.95Å; L107-L111 HydrophobicContact CG-CD1 3.96Å; L107-L111 HydrophobicContact CG-CG 4.21Å; L107-L111 VanDerWaalsContact O-CG 3.28Å; L107-L111 WeakPolarHBondContact O-CG 3.37Å; L107-L111 PolarHBondContact O-N 3.2Å; L107-L121 HydrophobicContact CD1-CD1 4.28Å; L107-L121 HydrophobicContact CD1-CD2 4.33Å; L107-L123 HydrophobicContact CD2-CD1 4.3Å; L107-L143 HydrophobicContact CD2-CB 4.42Å; L107-L143 HydrophobicContact CD2-CD1 4.46Å; L107-L145 HydrophobicContact CD2-CD2 3.66Å
108	Q	95.2	Very high	95.5	Very high	64 Å²	64	66.7 Å²	66.7	30%	0.299	32%	0.319	S	S	.	.	H	α-helix	trans	-60.3	-43.5	179.4	-69.9	-60.6	-34.5	0	0	112.1	A104 D105 M110 L111 L112 L143	A104-Q108 WeakPolarHBondContact O-CB 3.39Å; A104-Q108 VanDerWaalsContact O-CG 3.27Å; A104-Q108 WeakPolarHBondContact O-CG 3.36Å; A104-Q108 PolarHBondContact O-N 3.5Å; D105-Q108 PolarHBondContact O-N 2.85Å; Q108-M110 VanDerWaalsContact C-N 3.27Å; Q108-M110 PolarHBondContact O-N 2.83Å; Q108-L111 PolarHBondContact O-N 3.09Å; Q108-L112 WeakPolarHBondContact O-CG 3.28Å; Q108-L112 PolarHBondContact O-N 2.94Å; Q108-L143 PolarHBondContact NE2-O 2.82Å
109	K	94	Very high	95.4	Very high	116 Å²	116	57.9 Å²	57.9	50%	0.504	28%	0.278	S	S	.	.	H	α-helix	trans	-54.3	-45.1	173.6	-73.9	169.3	-162.4	169.7	0	111.5	D105 E106 L107 V113	D105-K109 VanDerWaalsContact O-CG 3.22Å; D105-K109 WeakPolarHBondContact O-CG 3.37Å; D105-K109 PolarHBondContact O-N 3.09Å; E106-K109 PolarHBondContact O-N 3.08Å; E106-K109 IonicContact OE1-NZ 3.17Å; E106-K109 PolarHBondContact OE1-NZ 3.45Å; L107-K109 PolarHBondContact O-N 3.39Å; K109-V113 WeakPolarHBondContact O-CG2 3.46Å
110	M	94	Very high	95.4	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.025	27%	0.266	C	S	.	.	H	α-helix	trans	-66.9	-41.7	178.3	-70	-170.6	64.2	0	0	113	L21 V23 W78 F82 L88 F90 E106 L107 Q108 L112 V113 L116	L21-M110 HydrophobicContact CD2-CE 4.12Å; V23-M110 HydrophobicContact CB-SD 4.42Å; V23-M110 HydrophobicContact CG2-CE 3.67Å; V23-M110 HydrophobicContact CG2-SD 3.73Å; W78-M110 HydrophobicContact CE3-CG 4.21Å; W78-M110 HydrophobicContact CE3-SD 3.45Å; W78-M110 HydrophobicContact CZ3-CG 4.49Å; W78-M110 HydrophobicContact CZ3-SD 3.64Å; F82-M110 HydrophobicContact CD1-CE 4.32Å; F82-M110 HydrophobicContact CE1-CE 3.43Å; F82-M110 VanDerWaalsContact CE1-CE 3.43Å; F82-M110 HydrophobicContact CZ-CE 3.84Å; F82-M110 HydrophobicContact CZ-CG 4.09Å; L88-M110 HydrophobicContact CD1-CE 3.66Å; L88-M110 HydrophobicContact CD2-CE 4.06Å; F90-M110 HydrophobicContact CD2-SD 4.28Å; F90-M110 HydrophobicContact CE2-SD 3.92Å; E106-M110 WeakPolarHBondContact O-CG 3.34Å; E106-M110 PolarHBondContact O-N 3.13Å; E106-M110 VanDerWaalsContact O-N 3.07Å; L107-M110 WeakPolarHBondContact O-CB 3.38Å; L107-M110 PolarHBondContact O-N 3.09Å; L107-M110 VanDerWaalsContact O-N 3.1Å; Q108-M110 VanDerWaalsContact C-N 3.27Å; Q108-M110 PolarHBondContact O-N 2.83Å; M110-L112 PolarHBondContact O-N 2.8Å; M110-V113 WeakPolarHBondContact O-CB 3.44Å; M110-V113 PolarHBondContact O-N 3.06Å; M110-L116 HydrophobicContact CB-CD1 4.15Å; M110-L116 HydrophobicContact CE-CD1 3.65Å
111	L	93.5	Very high	95.4	Very high	17 Å²	17	54.3 Å²	54.3	9%	0.089	26%	0.263	C	S	.	.	H	α-helix	trans	-68.3	-19.9	-177.5	-64.2	-176.2	0	0	0	113.5	L88 L107 Q108 V113 L121 L148 R151	L88-L111 HydrophobicContact CD2-CD2 4.36Å; L107-L111 HydrophobicContact CD1-CD1 4.06Å; L107-L111 HydrophobicContact CD1-CD2 4.14Å; L107-L111 HydrophobicContact CD1-CG 3.95Å; L107-L111 HydrophobicContact CG-CD1 3.96Å; L107-L111 HydrophobicContact CG-CG 4.21Å; L107-L111 VanDerWaalsContact O-CG 3.28Å; L107-L111 WeakPolarHBondContact O-CG 3.37Å; L107-L111 PolarHBondContact O-N 3.2Å; Q108-L111 PolarHBondContact O-N 3.09Å; L111-V113 VanDerWaalsContact C-N 3.33Å; L111-L121 HydrophobicContact CD1-CD2 4.42Å; L111-L121 HydrophobicContact CD2-CD2 4.23Å; L111-L148 HydrophobicContact CD1-CD1 3.58Å; L111-L148 HydrophobicContact CD1-CD2 3.67Å; L111-L148 HydrophobicContact CD1-CG 4.28Å; L111-R151 PolarHBondContact O-NH2 3.45Å
112	L	93.7	Very high	95.5	Very high	147 Å²	147	48.7 Å²	48.7	77%	0.77	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-10	173.2	-68.4	173.2	0	0	0	113.7	Q108 M110	Q108-L112 WeakPolarHBondContact O-CG 3.28Å; Q108-L112 PolarHBondContact O-N 2.94Å; M110-L112 PolarHBondContact O-N 2.8Å
113	V	94.9	Very high	95.5	Very high	37 Å²	37	46.2 Å²	46.2	22%	0.224	23%	0.226	C	C	.	.			trans	-79.1	131	-177.8	-175.6	0	0	0	0	110.7	F82 K109 M110 L111 E115 L116 R117	F82-V113 HydrophobicContact CD2-CB 4.13Å; F82-V113 HydrophobicContact CD2-CG1 3.56Å; F82-V113 HydrophobicContact CD2-CG2 4.2Å; F82-V113 HydrophobicContact CE2-CB 4.22Å; F82-V113 HydrophobicContact CE2-CG1 4.04Å; F82-V113 HydrophobicContact CE2-CG2 3.81Å; K109-V113 WeakPolarHBondContact O-CG2 3.46Å; M110-V113 WeakPolarHBondContact O-CB 3.44Å; M110-V113 PolarHBondContact O-N 3.06Å; L111-V113 VanDerWaalsContact C-N 3.33Å; V113-E115 VanDerWaalsContact C-N 3.34Å; V113-E115 HydrophobicContact CG1-CB 4.37Å; V113-E115 WeakPolarHBondContact CG1-OE2 3.13Å; V113-E115 PolarHBondContact O-N 3.03Å; V113-L116 PolarHBondContact O-N 3.31Å; V113-L116 VanDerWaalsContact O-N 3.08Å; V113-R117 PolarHBondContact O-N 3.18Å
114	D	94.8	Very high	95.6	Very high	98 Å²	98	45.9 Å²	45.9	52%	0.524	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-61.7	-41.9	-173.6	-163.4	52.7	0	0	0	112.5	L116 R117	D114-L116 PolarHBondContact O-N 2.8Å; D114-L116 VanDerWaalsContact O-N 3.09Å; D114-R117 WeakPolarHBondContact O-CB 3.44Å; D114-R117 PolarHBondContact O-N 3.24Å; D114-R117 IonicContact OD1-CZ 2.88Å; D114-R117 IonicContact OD1-NE 2.57Å; D114-R117 PolarHBondContact OD1-NE 3.15Å; D114-R117 VanDerWaalsContact OD1-NE 3.17Å; D114-R117 IonicContact OD1-NH1 2.78Å; D114-R117 IonicContact OD1-NH2 2.62Å; D114-R117 PolarHBondContact OD1-NH2 3.29Å
115	E	95.3	Very high	95.6	Very high	95 Å²	95	45.6 Å²	45.6	44%	0.444	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-61.7	-20	178.3	-64	93.5	146.3	0	0	113.3	F82 Q83 V113	F82-E115 HydrophobicContact CB-CB 3.84Å; Q83-E115 HydrophobicContact CG-CG 4.22Å; V113-E115 VanDerWaalsContact C-N 3.34Å; V113-E115 HydrophobicContact CG1-CB 4.37Å; V113-E115 WeakPolarHBondContact CG1-OE2 3.13Å; V113-E115 PolarHBondContact O-N 3.03Å
116	L	95	Very high	95.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-102.7	2.5	177	-64.1	-179	0	0	0	112.9	F82 T85 L88 M110 V113 D114 D118 A119 R151	F82-L116 HydrophobicContact CB-CD2 4Å; F82-L116 HydrophobicContact CB-CG 3.99Å; F82-L116 HydrophobicContact CD1-CD1 3.72Å; F82-L116 HydrophobicContact CD1-CD2 4.13Å; F82-L116 HydrophobicContact CD1-CG 4.1Å; F82-L116 HydrophobicContact CD2-CD1 4.16Å; F82-L116 HydrophobicContact CD2-CG 4.34Å; F82-L116 HydrophobicContact CE1-CD1 3.87Å; F82-L116 HydrophobicContact CE2-CD1 4.29Å; F82-L116 HydrophobicContact CG-CD1 3.87Å; F82-L116 HydrophobicContact CG-CD2 4.17Å; F82-L116 HydrophobicContact CG-CG 3.89Å; F82-L116 HydrophobicContact CZ-CD1 4.15Å; T85-L116 HydrophobicContact CG2-CD2 3.86Å; L88-L116 HydrophobicContact CD2-CD1 4.43Å; M110-L116 HydrophobicContact CB-CD1 4.15Å; M110-L116 HydrophobicContact CE-CD1 3.65Å; V113-L116 PolarHBondContact O-N 3.31Å; V113-L116 VanDerWaalsContact O-N 3.08Å; D114-L116 PolarHBondContact O-N 2.8Å; D114-L116 VanDerWaalsContact O-N 3.09Å; L116-D118 VanDerWaalsContact C-N 3.25Å; L116-D118 PolarHBondContact O-N 2.93Å; L116-A119 HydrophobicContact CD2-CB 4.41Å; L116-A119 WeakPolarHBondContact O-CB 3.48Å; L116-A119 PolarHBondContact O-N 3.48Å; L116-A119 VanDerWaalsContact O-N 3.13Å; L116-R151 PolarHBondContact O-NH1 2.9Å; L116-R151 PolarHBondContact O-NH2 2.85Å
117	R	93.8	Very high	95.9	Very high	157 Å²	157	43.2 Å²	43.2	59%	0.592	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-44.1	-175.1	-176.5	-174	-67.9	175.7	-6.5	112.7	V113 D114 R151	V113-R117 PolarHBondContact O-N 3.18Å; D114-R117 WeakPolarHBondContact O-CB 3.44Å; D114-R117 PolarHBondContact O-N 3.24Å; D114-R117 IonicContact OD1-CZ 2.88Å; D114-R117 IonicContact OD1-NE 2.57Å; D114-R117 PolarHBondContact OD1-NE 3.15Å; D114-R117 VanDerWaalsContact OD1-NE 3.17Å; D114-R117 IonicContact OD1-NH1 2.78Å; D114-R117 IonicContact OD1-NH2 2.62Å; D114-R117 PolarHBondContact OD1-NH2 3.29Å; R117-R151 PolarHBondContact O-NH1 3.28Å; R117-R151 VanDerWaalsContact O-NH1 3.15Å; R117-R151 PolarHBondContact O-NH2 3.06Å
118	D	93.2	Very high	96	Very high	114 Å²	114	46.1 Å²	46.1	61%	0.61	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-3.3	-175	-63.7	-45.3	0	0	0	114.4	L116 V120 R180	L116-D118 VanDerWaalsContact C-N 3.25Å; L116-D118 PolarHBondContact O-N 2.93Å; D118-V120 PolarHBondContact O-N 3.12Å; D118-R180 PolarHBondContact O-NH1 3.02Å; D118-R180 VanDerWaalsContact O-NH1 3.14Å; D118-R180 PolarHBondContact O-NH2 3.18Å
119	A	95.5	Very high	96.1	Very high	2 Å²	2	47.1 Å²	47.1	2%	0.017	23%	0.228	C	C	.	.			trans	-66.1	133.6	-178.1	0	0	0	0	0	112	T85 Q86 L88 L116 R151	T85-A119 HydrophobicContact CG2-CB 4.41Å; Q86-A119 WeakPolarHBondContact O-CA 3.47Å; L88-A119 HydrophobicContact CB-CB 4.42Å; L116-A119 HydrophobicContact CD2-CB 4.41Å; L116-A119 WeakPolarHBondContact O-CB 3.48Å; L116-A119 PolarHBondContact O-N 3.48Å; L116-A119 VanDerWaalsContact O-N 3.13Å; A119-R151 PolarHBondContact O-NH1 2.91Å
120	V	96.5	Very high	96.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	126.5	171.9	179.7	0	0	0	0	109	Q86 G87 L88 D118 T152 W172 L173 E176 L177	Q86-V120 PolarHBondContact O-N 3.4Å; G87-V120 CarbonylContact C-O 3.54Å; G87-V120 WeakPolarHBondContact CA-O 3.36Å; L88-V120 PolarHBondContact N-O 3.36Å; D118-V120 PolarHBondContact O-N 3.12Å; V120-T152 HydrophobicContact CG1-CG2 4.1Å; V120-W172 HydrophobicContact CG1-CH2 3.43Å; V120-W172 VanDerWaalsContact CG1-CH2 3.43Å; V120-W172 HydrophobicContact CG1-CZ2 4.4Å; V120-W172 HydrophobicContact CG1-CZ3 3.61Å; V120-L173 HydrophobicContact CB-CD1 4.01Å; V120-L173 HydrophobicContact CG1-CD1 3.76Å; V120-E176 HydrophobicContact CG1-CB 3.96Å; V120-E176 HydrophobicContact CG1-CG 4.45Å; V120-E176 HydrophobicContact CG2-CB 4.36Å; V120-L177 HydrophobicContact CB-CD2 4.07Å; V120-L177 HydrophobicContact CG2-CD2 3.77Å
121	L	97.7	Very high	96.4	Very high	1 Å²	1	50 Å²	50	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	114.8	-177.5	173.1	64.2	0	0	0	111.1	L88 F90 L107 L111 L148 T152 W153 Y154 W172	L88-L121 HydrophobicContact CB-CD1 4.39Å; L88-L121 HydrophobicContact CD2-CD1 3.95Å; L88-L121 HydrophobicContact CG-CD1 4.02Å; L88-L121 CarbonylContact O-C 3.45Å; L88-L121 WeakPolarHBondContact O-CA 3.33Å; F90-L121 HydrophobicContact CB-CD1 3.98Å; L107-L121 HydrophobicContact CD1-CD1 4.28Å; L107-L121 HydrophobicContact CD1-CD2 4.33Å; L111-L121 HydrophobicContact CD1-CD2 4.42Å; L111-L121 HydrophobicContact CD2-CD2 4.23Å; L121-L148 HydrophobicContact CD2-CD1 4.23Å; L121-T152 PolarHBondContact N-O 2.96Å; L121-W153 HydrophobicContact CB-CB 3.93Å; L121-W153 HydrophobicContact CD2-CB 4.05Å; L121-W153 HydrophobicContact CG-CB 4.17Å; L121-W153 CarbonylContact O-C 3.53Å; L121-W153 WeakPolarHBondContact O-CA 3.23Å; L121-Y154 PolarHBondContact O-N 3.24Å; L121-W172 WeakPolarHBondContact O-CH2 3.13Å
122	L	97.8	Very high	96.5	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	122.3	163.9	174	63.9	0	0	0	108.5	L88 I89 F90 F124 Y154 Q156 G169 W172 L173	L88-L122 PolarHBondContact O-N 3.01Å; I89-L122 CarbonylContact C-O 3.59Å; I89-L122 VanDerWaalsContact CA-O 3.27Å; I89-L122 WeakPolarHBondContact CA-O 3.37Å; I89-L122 HydrophobicContact CD1-CD2 4.42Å; I89-L122 HydrophobicContact CG1-CB 4.35Å; I89-L122 HydrophobicContact CG1-CD2 4.23Å; F90-L122 PolarHBondContact N-O 3.27Å; L122-F124 HydrophobicContact CD2-CD1 4.41Å; L122-F124 HydrophobicContact CD2-CE1 3.85Å; L122-F124 HydrophobicContact CD2-CE2 3.94Å; L122-F124 HydrophobicContact CD2-CZ 3.58Å; L122-F124 HydrophobicContact CG-CD1 4.48Å; L122-F124 HydrophobicContact CG-CE1 4.35Å; L122-F124 HydrophobicContact CG-CZ 4.45Å; L122-Y154 HydrophobicContact CD1-CD1 3.86Å; L122-Q156 HydrophobicContact CD1-CB 4.18Å; L122-G169 WeakPolarHBondContact CD2-O 3.49Å; L122-W172 HydrophobicContact CB-CE3 4.41Å; L122-W172 HydrophobicContact CB-CZ3 4.09Å; L122-W172 HydrophobicContact CD1-CE3 4.05Å; L122-W172 HydrophobicContact CD1-CZ3 4.38Å; L122-L173 HydrophobicContact CB-CD1 4.37Å; L122-L173 HydrophobicContact CB-CD2 4.36Å; L122-L173 HydrophobicContact CD2-CB 4.16Å; L122-L173 HydrophobicContact CD2-CD2 4.17Å
123	L	98.4	Very high	96.7	Very high	1 Å²	1	48 Å²	48	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	119.9	171.9	-165.9	143.9	0	0	0	110	F90 V92 L107 A125 M139 L143 L145 Y154 V155 Q156	F90-L123 CarbonylContact O-C 3.6Å; F90-L123 VanDerWaalsContact O-CA 3.29Å; F90-L123 WeakPolarHBondContact O-CA 3.34Å; V92-L123 HydrophobicContact CB-CD2 4.37Å; V92-L123 HydrophobicContact CG2-CD1 3.96Å; V92-L123 HydrophobicContact CG2-CD2 3.86Å; V92-L123 HydrophobicContact CG2-CG 4.02Å; L107-L123 HydrophobicContact CD2-CD1 4.3Å; L123-A125 HydrophobicContact CD2-CB 4.34Å; L123-M139 HydrophobicContact CD2-SD 3.48Å; L123-M139 WeakPolarHBondContact CD2-SD 3.36Å; L123-L143 HydrophobicContact CD1-CD1 3.35Å; L123-L143 HydrophobicContact CD2-CD1 4.45Å; L123-L145 HydrophobicContact CD1-CD1 4.28Å; L123-Y154 PolarHBondContact N-O 2.93Å; L123-V155 HydrophobicContact CB-CG1 4.5Å; L123-V155 HydrophobicContact CB-CG2 4.15Å; L123-V155 HydrophobicContact CD2-CG1 3.79Å; L123-V155 HydrophobicContact CD2-CG2 4.47Å; L123-V155 CarbonylContact O-C 3.51Å; L123-V155 WeakPolarHBondContact O-CA 3.43Å; L123-Q156 PolarHBondContact O-N 3.19Å
124	F	98.6	Very high	96.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	108	169.4	-77.5	-43.8	0	0	0	109.8	I33 I89 F90 V91 V92 L122 N126 Q156 T158 L166	I33-F124 HydrophobicContact CD1-CB 4.38Å; I33-F124 HydrophobicContact CD1-CD2 3.97Å; I33-F124 HydrophobicContact CD1-CG 4.45Å; I33-F124 HydrophobicContact CG2-CE2 4.27Å; I89-F124 HydrophobicContact CD1-CE2 4.36Å; I89-F124 HydrophobicContact CG2-CD2 3.38Å; I89-F124 HydrophobicContact CG2-CE2 3.69Å; I89-F124 HydrophobicContact CG2-CG 4.37Å; F90-F124 PolarHBondContact O-N 2.88Å; V91-F124 HydrophobicContact CG1-CB 4.44Å; V91-F124 HydrophobicContact CG2-CB 4.43Å; V91-F124 HydrophobicContact CG2-CD2 4.44Å; V92-F124 PolarHBondContact N-O 3.44Å; L122-F124 HydrophobicContact CD2-CD1 4.41Å; L122-F124 HydrophobicContact CD2-CE1 3.85Å; L122-F124 HydrophobicContact CD2-CE2 3.94Å; L122-F124 HydrophobicContact CD2-CZ 3.58Å; L122-F124 HydrophobicContact CG-CD1 4.48Å; L122-F124 HydrophobicContact CG-CE1 4.35Å; L122-F124 HydrophobicContact CG-CZ 4.45Å; F124-N126 VanDerWaalsContact C-N 3.31Å; F124-N126 PolarHBondContact O-N 2.9Å; F124-N126 VanDerWaalsContact O-N 3.09Å; F124-Q156 HydrophobicContact CD1-CB 3.96Å; F124-Q156 HydrophobicContact CD1-CG 4.2Å; F124-Q156 HydrophobicContact CE1-CB 4.12Å; F124-Q156 HydrophobicContact CE1-CG 4.05Å; F124-T158 HydrophobicContact CB-CG2 4.37Å; F124-T158 HydrophobicContact CD1-CG2 3.22Å; F124-T158 HydrophobicContact CE1-CG2 3.61Å; F124-T158 HydrophobicContact CG-CG2 4.02Å; F124-L166 HydrophobicContact CE1-CD2 4.45Å; F124-L166 HydrophobicContact CE2-CD2 4.5Å; F124-L166 HydrophobicContact CZ-CD2 4.31Å
125	A	98.7	Very high	97	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	84.6	168.2	0	0	0	0	0	107.7	S94 L123 Q128 I136 M139 V155 Q156 T158	S94-A125 PolarHBondContact OG-O 3.34Å; L123-A125 HydrophobicContact CD2-CB 4.34Å; A125-Q128 WeakPolarHBondContact O-CG 3.38Å; A125-I136 HydrophobicContact CB-CD1 3.37Å; A125-M139 HydrophobicContact CB-CE 3.77Å; A125-M139 HydrophobicContact CB-SD 3.51Å; A125-M139 VanDerWaalsContact CB-SD 3.51Å; A125-V155 HydrophobicContact CB-CG1 4.12Å; A125-Q156 PolarHBondContact N-O 3.14Å; A125-T158 PolarHBondContact O-N 2.79Å
126	N	98.7	Very high	97.1	Very high	4 Å²	4	42 Å²	42	2%	0.021	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	164.3	-170.6	-170.3	31.8	0	0	0	112	A28 V91 V92 S94 F124 T158 A160	A28-N126 PolarHBondContact O-ND2 2.57Å; V91-N126 HydrophobicContact CG1-CB 3.95Å; V92-N126 WeakPolarHBondContact O-CB 3.38Å; V92-N126 PolarHBondContact O-N 3.01Å; S94-N126 WeakPolarHBondContact CB-O 3.2Å; S94-N126 PolarHBondContact N-O 2.81Å; S94-N126 PolarHBondContact OG-N 3.21Å; S94-N126 PolarHBondContact OG-O 3.35Å; F124-N126 VanDerWaalsContact C-N 3.31Å; F124-N126 PolarHBondContact O-N 2.9Å; F124-N126 VanDerWaalsContact O-N 3.09Å; N126-T158 CarbonylContact C-O 3.57Å; N126-T158 WeakPolarHBondContact CA-O 3.13Å; N126-T158 VanDerWaalsContact CA-OG1 3.26Å; N126-T158 WeakPolarHBondContact CA-OG1 3.27Å; N126-A160 WeakPolarHBondContact OD1-CB 3.18Å; N126-A160 PolarHBondContact OD1-N 2.93Å
127	K	98.3	Very high	97.2	Very high	49 Å²	49	45.8 Å²	45.8	21%	0.213	25%	0.251	C	S	.	.			trans	64.4	36.1	-178.5	-43.7	-165.5	-165.9	171.8	0	113.9	A27 D93 D129 L130 T158	A27-K127 WeakPolarHBondContact O-CE 3.23Å; A27-K127 PolarHBondContact O-NZ 2.89Å; D93-K127 WeakPolarHBondContact OD1-CD 3.05Å; D93-K127 VanDerWaalsContact OD2-CE 3.23Å; D93-K127 WeakPolarHBondContact OD2-CE 3.16Å; D93-K127 IonicContact OD2-NZ 3.13Å; D93-K127 PolarHBondContact OD2-NZ 3.4Å; K127-D129 WeakPolarHBondContact CA-OD1 3.29Å; K127-D129 PolarHBondContact O-N 3.25Å; K127-L130 HydrophobicContact CB-CD1 3.84Å; K127-L130 HydrophobicContact CB-CG 4.16Å; K127-L130 HydrophobicContact CD-CD1 3.95Å; K127-L130 PolarHBondContact O-N 2.68Å; K127-T158 PolarHBondContact N-O 3.44Å; K127-T158 VanDerWaalsContact N-O 3.09Å
128	Q	98.3	Very high	97.4	Very high	62 Å²	62	40.8 Å²	40.8	29%	0.29	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-7.1	176.3	-71.3	-77	-35.1	0	0	113.5	S94 A125 L130 M134 A157 T158	S94-Q128 VanDerWaalsContact CB-NE2 3.26Å; S94-Q128 PolarHBondContact OG-NE2 3.28Å; A125-Q128 WeakPolarHBondContact O-CG 3.38Å; Q128-L130 VanDerWaalsContact C-N 3.3Å; Q128-M134 PolarHBondContact NE2-O 2.88Å; Q128-A157 HydrophobicContact CG-CB 4.08Å; Q128-T158 PolarHBondContact N-O 3.23Å; Q128-T158 VanDerWaalsContact N-O 3.14Å
129	D	97.7	Very high	97.6	Very high	84 Å²	84	35.3 Å²	35.3	45%	0.449	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-12.7	171.4	57.7	-64.2	0	0	0	113.9	K127 C159	K127-D129 WeakPolarHBondContact CA-OD1 3.29Å; K127-D129 PolarHBondContact O-N 3.25Å; D129-C159 PolarHBondContact OD1-SG 3.46Å
130	L	97.7	Very high	97.6	Very high	62 Å²	62	35.7 Å²	35.7	33%	0.325	21%	0.207	S	C	.	.	S	Bend	trans	-87.3	145.7	-177.3	-61.9	-177.8	0	0	0	112.4	N95 K127 Q128 N132 A133	N95-L130 HydrophobicContact CB-CB 3.87Å; N95-L130 HydrophobicContact CB-CD1 3.58Å; N95-L130 HydrophobicContact CB-CG 4.35Å; N95-L130 VanDerWaalsContact OD1-CB 3.3Å; N95-L130 WeakPolarHBondContact OD1-CB 3.08Å; K127-L130 HydrophobicContact CB-CD1 3.84Å; K127-L130 HydrophobicContact CB-CG 4.16Å; K127-L130 HydrophobicContact CD-CD1 3.95Å; K127-L130 PolarHBondContact O-N 2.68Å; Q128-L130 VanDerWaalsContact C-N 3.3Å; L130-N132 VanDerWaalsContact C-N 3.28Å; L130-N132 PolarHBondContact O-N 2.96Å; L130-A133 VanDerWaalsContact O-CB 3.28Å; L130-A133 WeakPolarHBondContact O-CB 3.29Å; L130-A133 PolarHBondContact O-N 3.4Å; L130-A133 VanDerWaalsContact O-N 3.13Å
131	P	96.2	Very high	97.6	Very high	120 Å²	120	41 Å²	41	78%	0.779	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-25.3	-169	24.9	-35.5	0	0	0	114.6
132	N	96.2	Very high	97.6	Very high	102 Å²	102	44.8 Å²	44.8	55%	0.545	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	15	-179.8	-60.1	-43.8	0	0	0	112.5	N95 R97 L130 M134	N95-N132 VanDerWaalsContact OD1-C 3.31Å; N95-N132 WeakPolarHBondContact OD1-CA 3.4Å; N95-N132 VanDerWaalsContact OD1-CB 3.32Å; N95-N132 WeakPolarHBondContact OD1-CB 3.24Å; N95-N132 PolarHBondContact OD1-N 2.72Å; N95-N132 VanDerWaalsContact OD1-N 3.14Å; R97-N132 PolarHBondContact NE-O 2.77Å; R97-N132 PolarHBondContact NH2-O 3.01Å; L130-N132 VanDerWaalsContact C-N 3.28Å; L130-N132 PolarHBondContact O-N 2.96Å; N132-M134 PolarHBondContact O-N 3.49Å
133	A	98	Very high	97.6	Very high	21 Å²	21	44.9 Å²	44.9	17%	0.174	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-56	132.4	177.9	0	0	0	0	0	111.4	S94 N95 R97 L130	S94-A133 CarbonylContact O-C 3.53Å; S94-A133 WeakPolarHBondContact O-CA 3.36Å; N95-A133 PolarHBondContact OD1-N 3.38Å; R97-A133 PolarHBondContact NH2-O 3.21Å; L130-A133 VanDerWaalsContact O-CB 3.28Å; L130-A133 WeakPolarHBondContact O-CB 3.29Å; L130-A133 PolarHBondContact O-N 3.4Å; L130-A133 VanDerWaalsContact O-N 3.13Å
134	M	98.3	Very high	97.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-64.6	135.6	172.6	-72.2	178.3	-78.2	0	0	110	S94 R97 I100 Q128 N132 E138 M139 K142	S94-M134 WeakPolarHBondContact O-CE 3.45Å; S94-M134 WeakPolarHBondContact O-CG 3.23Å; S94-M134 PolarHBondContact O-N 3.13Å; R97-M134 HydrophobicContact CG-CE 4.31Å; R97-M134 HydrophobicContact CG-CG 3.83Å; R97-M134 HydrophobicContact CG-SD 4.06Å; I100-M134 HydrophobicContact CB-CE 4.14Å; I100-M134 HydrophobicContact CB-SD 4.35Å; I100-M134 HydrophobicContact CD1-CE 3.81Å; I100-M134 HydrophobicContact CD1-SD 4.35Å; I100-M134 HydrophobicContact CG1-CE 3.96Å; I100-M134 HydrophobicContact CG1-SD 3.99Å; Q128-M134 PolarHBondContact NE2-O 2.88Å; N132-M134 PolarHBondContact O-N 3.49Å; M134-E138 HydrophobicContact CG-CG 4.5Å; M134-M139 HydrophobicContact CE-CE 4.35Å; M134-K142 HydrophobicContact SD-CD 3.94Å
135	A	97.4	Very high	97.3	Very high	49 Å²	49	46.2 Å²	46.2	41%	0.405	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-63.8	154	169.6	0	0	0	0	0	110.1	S137 E138 M139	A135-S137 VanDerWaalsContact C-N 3.26Å; A135-S137 PolarHBondContact O-N 3.35Å; A135-E138 HydrophobicContact CB-CB 4.47Å; A135-E138 WeakPolarHBondContact O-CB 3.31Å; A135-E138 PolarHBondContact O-N 2.92Å; A135-E138 VanDerWaalsContact O-N 3.15Å; A135-M139 PolarHBondContact O-N 3.1Å
136	I	97.7	Very high	97	Very high	53 Å²	53	52.2 Å²	52.2	27%	0.272	29%	0.294	S	S	.	.	H	α-helix	trans	-58.7	-39.3	-179.8	-61.2	-49.3	0	0	0	112	A125 M139 T140 V155 A157	A125-I136 HydrophobicContact CB-CD1 3.37Å; I136-M139 PolarHBondContact O-N 3.32Å; I136-T140 VanDerWaalsContact O-CB 3.29Å; I136-T140 WeakPolarHBondContact O-CB 3.41Å; I136-T140 PolarHBondContact O-N 2.69Å; I136-T140 PolarHBondContact O-OG1 2.84Å; I136-V155 HydrophobicContact CD1-CG1 4.02Å; I136-V155 HydrophobicContact CG2-CB 4.04Å; I136-V155 HydrophobicContact CG2-CG1 3.79Å; I136-A157 HydrophobicContact CD1-CB 3.89Å; I136-A157 HydrophobicContact CG1-CB 4.15Å
137	S	97	Very high	96.7	Very high	80 Å²	80	55.9 Å²	55.9	56%	0.559	32%	0.32	S	S	*	.	H	α-helix	trans	-60	-50.3	175.4	48.8	0	0	0	0	111.6	A135 M139 T140 D141	A135-S137 VanDerWaalsContact C-N 3.26Å; A135-S137 PolarHBondContact O-N 3.35Å; S137-M139 PolarHBondContact O-N 3.18Å; S137-T140 WeakPolarHBondContact O-CB 3.34Å; S137-T140 PolarHBondContact O-N 3.46Å; S137-D141 PolarHBondContact O-N 2.92Å
138	E	97.4	Very high	96.5	Very high	52 Å²	52	54.8 Å²	54.8	24%	0.243	32%	0.316	C	S	.	.	H	α-helix	trans	-58.1	-46.2	178.1	-174.5	-170.9	168.4	0	0	111.8	R97 M134 A135 D141 K142	R97-E138 IonicContact CZ-OE1 2.87Å; R97-E138 IonicContact CZ-OE2 2.69Å; R97-E138 IonicContact NH1-OE1 3.21Å; R97-E138 PolarHBondContact NH1-OE1 3.41Å; R97-E138 IonicContact NH1-OE2 3.85Å; R97-E138 PolarHBondContact NH1-OE2 3.42Å; R97-E138 IonicContact NH2-OE2 2.69Å; R97-E138 PolarHBondContact NH2-OE2 3.46Å; M134-E138 HydrophobicContact CG-CG 4.5Å; A135-E138 HydrophobicContact CB-CB 4.47Å; A135-E138 WeakPolarHBondContact O-CB 3.31Å; A135-E138 PolarHBondContact O-N 2.92Å; A135-E138 VanDerWaalsContact O-N 3.15Å; E138-D141 PolarHBondContact O-N 3.26Å; E138-K142 HydrophobicContact CG-CD 4.13Å; E138-K142 WeakPolarHBondContact O-CB 3.24Å; E138-K142 WeakPolarHBondContact O-CG 3.32Å; E138-K142 PolarHBondContact O-N 3.2Å; E138-K142 VanDerWaalsContact OE1-CE 3.27Å; E138-K142 WeakPolarHBondContact OE1-CE 3.22Å; E138-K142 IonicContact OE1-NZ 3.93Å; E138-K142 PolarHBondContact OE1-NZ 2.96Å
139	M	97	Very high	95.9	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-64.6	-42.3	178.2	-176.5	177.7	-67.1	0	0	111.6	V92 S94 L123 A125 M134 A135 I136 S137 D141 K142 L143	V92-M139 HydrophobicContact CB-CE 3.96Å; V92-M139 HydrophobicContact CB-SD 3.9Å; V92-M139 HydrophobicContact CG1-CE 3.55Å; V92-M139 HydrophobicContact CG1-SD 3.91Å; V92-M139 HydrophobicContact CG2-SD 4.29Å; S94-M139 WeakPolarHBondContact OG-CE 3.36Å; L123-M139 HydrophobicContact CD2-SD 3.48Å; L123-M139 WeakPolarHBondContact CD2-SD 3.36Å; A125-M139 HydrophobicContact CB-CE 3.77Å; A125-M139 HydrophobicContact CB-SD 3.51Å; A125-M139 VanDerWaalsContact CB-SD 3.51Å; M134-M139 HydrophobicContact CE-CE 4.35Å; A135-M139 PolarHBondContact O-N 3.1Å; I136-M139 PolarHBondContact O-N 3.32Å; S137-M139 PolarHBondContact O-N 3.18Å; M139-D141 VanDerWaalsContact C-N 3.3Å; M139-D141 PolarHBondContact O-N 3.07Å; M139-K142 PolarHBondContact O-N 3.14Å; M139-L143 HydrophobicContact CG-CD1 3.64Å; M139-L143 HydrophobicContact CG-CG 4.15Å; M139-L143 WeakPolarHBondContact O-CB 3.36Å; M139-L143 WeakPolarHBondContact O-CG 3.43Å; M139-L143 PolarHBondContact O-N 3.19Å; M139-L143 HydrophobicContact SD-CD1 4.33Å
140	T	97	Very high	95.5	Very high	9 Å²	9	66.8 Å²	66.8	6%	0.055	37%	0.365	C	S	.	.	H	α-helix	trans	-59.7	-42.6	178.6	-60.7	0	0	0	0	111.3	I136 S137 G144 L145 Q146 W153	I136-T140 VanDerWaalsContact O-CB 3.29Å; I136-T140 WeakPolarHBondContact O-CB 3.41Å; I136-T140 PolarHBondContact O-N 2.69Å; I136-T140 PolarHBondContact O-OG1 2.84Å; S137-T140 WeakPolarHBondContact O-CB 3.34Å; S137-T140 PolarHBondContact O-N 3.46Å; T140-G144 PolarHBondContact O-N 2.87Å; T140-L145 HydrophobicContact CG2-CB 4.04Å; T140-L145 HydrophobicContact CG2-CD1 4.36Å; T140-L145 PolarHBondContact O-N 3.42Å; T140-L145 VanDerWaalsContact O-N 3.12Å; T140-Q146 HydrophobicContact CG2-CG 4.09Å; T140-W153 HydrophobicContact CG2-CH2 4.08Å; T140-W153 HydrophobicContact CG2-CZ3 4.49Å
141	D	96.6	Very high	95.3	Very high	111 Å²	111	65.6 Å²	65.6	59%	0.594	36%	0.356	S	S	*	.	H	α-helix	trans	-68.2	-49.6	177.9	-68.1	-20.1	0	0	0	111.4	S137 E138 M139 L143 G144	S137-D141 PolarHBondContact O-N 2.92Å; E138-D141 PolarHBondContact O-N 3.26Å; M139-D141 VanDerWaalsContact C-N 3.3Å; M139-D141 PolarHBondContact O-N 3.07Å; D141-L143 VanDerWaalsContact C-N 3.27Å; D141-L143 PolarHBondContact O-N 2.92Å; D141-G144 PolarHBondContact O-N 2.82Å
142	K	96.9	Very high	95.4	Very high	81 Å²	81	62.2 Å²	62.2	35%	0.352	33%	0.334	S	S	.	.	H	α-helix	trans	-61.9	-32.6	-179.8	-76.1	-179.1	168.6	177.1	0	113.6	I100 M134 E138 M139 G144	I100-K142 HydrophobicContact CB-CD 4.47Å; I100-K142 HydrophobicContact CG1-CB 3.91Å; I100-K142 HydrophobicContact CG1-CD 3.81Å; I100-K142 HydrophobicContact CG2-CD 3.91Å; M134-K142 HydrophobicContact SD-CD 3.94Å; E138-K142 HydrophobicContact CG-CD 4.13Å; E138-K142 WeakPolarHBondContact O-CB 3.24Å; E138-K142 WeakPolarHBondContact O-CG 3.32Å; E138-K142 PolarHBondContact O-N 3.2Å; E138-K142 VanDerWaalsContact OE1-CE 3.27Å; E138-K142 WeakPolarHBondContact OE1-CE 3.22Å; E138-K142 IonicContact OE1-NZ 3.93Å; E138-K142 PolarHBondContact OE1-NZ 2.96Å; M139-K142 PolarHBondContact O-N 3.14Å; K142-G144 VanDerWaalsContact C-N 3.33Å
143	L	97.4	Very high	95.4	Very high	3 Å²	3	60.7 Å²	60.7	2%	0.016	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-4.4	177.3	-62.2	-178.2	0	0	0	113.2	V92 I100 V103 A104 L107 Q108 L123 M139 D141 L145	V92-L143 HydrophobicContact CG2-CD1 4.25Å; I100-L143 HydrophobicContact CD1-CD2 3.72Å; I100-L143 HydrophobicContact CD1-CG 4.23Å; I100-L143 HydrophobicContact CG1-CD2 4.47Å; V103-L143 HydrophobicContact CB-CD2 4.18Å; V103-L143 HydrophobicContact CG1-CD2 3.61Å; A104-L143 HydrophobicContact CB-CD2 3.87Å; L107-L143 HydrophobicContact CD2-CB 4.42Å; L107-L143 HydrophobicContact CD2-CD1 4.46Å; Q108-L143 PolarHBondContact NE2-O 2.82Å; L123-L143 HydrophobicContact CD1-CD1 3.35Å; L123-L143 HydrophobicContact CD2-CD1 4.45Å; M139-L143 HydrophobicContact CG-CD1 3.64Å; M139-L143 HydrophobicContact CG-CG 4.15Å; M139-L143 WeakPolarHBondContact O-CB 3.36Å; M139-L143 WeakPolarHBondContact O-CG 3.43Å; M139-L143 PolarHBondContact O-N 3.19Å; M139-L143 HydrophobicContact SD-CD1 4.33Å; D141-L143 VanDerWaalsContact C-N 3.27Å; D141-L143 PolarHBondContact O-N 2.92Å; L143-L145 VanDerWaalsContact C-N 3.26Å; L143-L145 HydrophobicContact CB-CD2 3.91Å; L143-L145 HydrophobicContact CB-CG 3.87Å; L143-L145 PolarHBondContact O-N 2.97Å
144	G	96	Very high	95.4	Very high	28 Å²	28	63.7 Å²	63.7	29%	0.289	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	25.3	178.8	0	0	0	0	0	113.9	T140 D141 K142 Q146 S147	T140-G144 PolarHBondContact O-N 2.87Å; D141-G144 PolarHBondContact O-N 2.82Å; K142-G144 VanDerWaalsContact C-N 3.33Å; G144-Q146 PolarHBondContact O-N 2.91Å; G144-S147 WeakPolarHBondContact O-CB 3.5Å; G144-S147 PolarHBondContact O-N 3.08Å; G144-S147 VanDerWaalsContact O-N 3.07Å; G144-S147 PolarHBondContact O-OG 3.44Å
145	L	95.7	Very high	95.4	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-64.1	-29.1	-172.6	-55.9	-178.5	0	0	0	112.6	L107 L123 T140 L143 S147 L148 W153 V155	L107-L145 HydrophobicContact CD2-CD2 3.66Å; L123-L145 HydrophobicContact CD1-CD1 4.28Å; T140-L145 HydrophobicContact CG2-CB 4.04Å; T140-L145 HydrophobicContact CG2-CD1 4.36Å; T140-L145 PolarHBondContact O-N 3.42Å; T140-L145 VanDerWaalsContact O-N 3.12Å; L143-L145 VanDerWaalsContact C-N 3.26Å; L143-L145 HydrophobicContact CB-CD2 3.91Å; L143-L145 HydrophobicContact CB-CG 3.87Å; L143-L145 PolarHBondContact O-N 2.97Å; L145-S147 PolarHBondContact O-N 3.22Å; L145-S147 VanDerWaalsContact O-N 3.12Å; L145-L148 HydrophobicContact CB-CD1 4.47Å; L145-L148 HydrophobicContact CD2-CD1 3.94Å; L145-L148 VanDerWaalsContact O-CB 3.28Å; L145-L148 WeakPolarHBondContact O-CB 3.3Å; L145-L148 WeakPolarHBondContact O-CG 3.45Å; L145-L148 PolarHBondContact O-N 3.12Å; L145-W153 HydrophobicContact CB-CD2 4.42Å; L145-W153 HydrophobicContact CB-CE3 4.46Å; L145-W153 HydrophobicContact CB-CH2 4.27Å; L145-W153 HydrophobicContact CB-CZ2 4.2Å; L145-W153 HydrophobicContact CB-CZ3 4.4Å; L145-W153 HydrophobicContact CD1-CE3 4.31Å; L145-W153 HydrophobicContact CD1-CZ3 4.34Å; L145-W153 PolarHBondContact O-NE1 3.22Å; L145-V155 HydrophobicContact CD1-CG2 3.43Å; L145-V155 VanDerWaalsContact CD1-CG2 3.43Å
146	Q	92.2	Very high	95.5	Very high	127 Å²	127	63.1 Å²	63.1	59%	0.593	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-60.9	-21	176.8	-62.5	-63.5	-12.1	0	0	113.4	T140 G144 L148	T140-Q146 HydrophobicContact CG2-CG 4.09Å; G144-Q146 PolarHBondContact O-N 2.91Å; Q146-L148 VanDerWaalsContact C-N 3.31Å
147	S	92.9	Very high	95.5	Very high	80 Å²	80	62.3 Å²	62.3	56%	0.559	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-79	-13.5	176.7	71.9	0	0	0	0	113.4	G144 L145 R149	G144-S147 WeakPolarHBondContact O-CB 3.5Å; G144-S147 PolarHBondContact O-N 3.08Å; G144-S147 VanDerWaalsContact O-N 3.07Å; G144-S147 PolarHBondContact O-OG 3.44Å; L145-S147 PolarHBondContact O-N 3.22Å; L145-S147 VanDerWaalsContact O-N 3.12Å; S147-R149 PolarHBondContact O-N 3.3Å
148	L	92.3	Very high	95.6	Very high	26 Å²	26	58.6 Å²	58.6	14%	0.136	29%	0.292	C	S	.	.			trans	-78.9	79.4	-176.3	-56.8	178.3	0	0	0	111.5	L111 L121 L145 Q146	L111-L148 HydrophobicContact CD1-CD1 3.58Å; L111-L148 HydrophobicContact CD1-CD2 3.67Å; L111-L148 HydrophobicContact CD1-CG 4.28Å; L121-L148 HydrophobicContact CD2-CD1 4.23Å; L145-L148 HydrophobicContact CB-CD1 4.47Å; L145-L148 HydrophobicContact CD2-CD1 3.94Å; L145-L148 VanDerWaalsContact O-CB 3.28Å; L145-L148 WeakPolarHBondContact O-CB 3.3Å; L145-L148 WeakPolarHBondContact O-CG 3.45Å; L145-L148 PolarHBondContact O-N 3.12Å; Q146-L148 VanDerWaalsContact C-N 3.31Å
149	R	87	Confident	95.6	Very high	231 Å²	231	56.4 Å²	56.4	87%	0.872	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-30.5	-176.7	-63.1	-168.5	-179.5	-148.2	0.1	115.1	S147	S147-R149 PolarHBondContact O-N 3.3Å
150	N	89.2	Confident	95.6	Very high	168 Å²	168	56.6 Å²	56.6	90%	0.898	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	25	-171.3	-63.6	-21.9	0	0	0	112.8
151	R	93.9	Very high	95.5	Very high	36 Å²	36	58.9 Å²	58.9	14%	0.136	30%	0.298	C	S	.	.	S	Bend	trans	-139.7	131.7	-176.5	-174.4	172.9	-66	-83.7	10.2	110.6	L111 L116 R117 A119 W153	L111-R151 PolarHBondContact O-NH2 3.45Å; L116-R151 PolarHBondContact O-NH1 2.9Å; L116-R151 PolarHBondContact O-NH2 2.85Å; R117-R151 PolarHBondContact O-NH1 3.28Å; R117-R151 VanDerWaalsContact O-NH1 3.15Å; R117-R151 PolarHBondContact O-NH2 3.06Å; A119-R151 PolarHBondContact O-NH1 2.91Å; R151-W153 VanDerWaalsContact O-CD1 3.29Å; R151-W153 PolarHBondContact O-N 2.59Å
152	T	96.6	Very high	95.3	Very high	50 Å²	50	59.5 Å²	59.5	31%	0.307	30%	0.298	S	S	.	.			trans	-73.1	120.3	170.1	-49.5	0	0	0	0	108.9	V120 L121 W172 E176	V120-T152 HydrophobicContact CG1-CG2 4.1Å; L121-T152 PolarHBondContact N-O 2.96Å; T152-W172 HydrophobicContact CG2-CH2 4.04Å; T152-W172 HydrophobicContact CG2-CZ2 3.79Å; T152-E176 HydrophobicContact CG2-CB 4.45Å; T152-E176 HydrophobicContact CG2-CG 3.96Å
153	W	97.8	Very high	95.2	Very high	69 Å²	69	56 Å²	56	26%	0.261	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	156.8	177.5	64.8	-96.4	0	0	0	112.7	L121 T140 L145 R151 V155 W172	L121-W153 HydrophobicContact CB-CB 3.93Å; L121-W153 HydrophobicContact CD2-CB 4.05Å; L121-W153 HydrophobicContact CG-CB 4.17Å; L121-W153 CarbonylContact O-C 3.53Å; L121-W153 WeakPolarHBondContact O-CA 3.23Å; T140-W153 HydrophobicContact CG2-CH2 4.08Å; T140-W153 HydrophobicContact CG2-CZ3 4.49Å; L145-W153 HydrophobicContact CB-CD2 4.42Å; L145-W153 HydrophobicContact CB-CE3 4.46Å; L145-W153 HydrophobicContact CB-CH2 4.27Å; L145-W153 HydrophobicContact CB-CZ2 4.2Å; L145-W153 HydrophobicContact CB-CZ3 4.4Å; L145-W153 HydrophobicContact CD1-CE3 4.31Å; L145-W153 HydrophobicContact CD1-CZ3 4.34Å; L145-W153 PolarHBondContact O-NE1 3.22Å; R151-W153 VanDerWaalsContact O-CD1 3.29Å; R151-W153 PolarHBondContact O-N 2.59Å; W153-V155 HydrophobicContact CE3-CG2 4.11Å; W153-V155 HydrophobicContact CZ3-CG2 3.91Å; W153-W172 VanDerWaalsContact C-CH2 3.44Å
154	Y	97.9	Very high	95.2	Very high	85 Å²	85	59.6 Å²	59.6	33%	0.333	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	145.9	171.7	176.5	-118.2	0	0	0	110.6	L121 L122 L123 Q156 W172	L121-Y154 PolarHBondContact O-N 3.24Å; L122-Y154 HydrophobicContact CD1-CD1 3.86Å; L123-Y154 PolarHBondContact N-O 2.93Å; Y154-Q156 HydrophobicContact CD1-CB 4.25Å; Y154-Q156 HydrophobicContact CE1-CB 3.78Å; Y154-Q156 HydrophobicContact CE1-CG 4.39Å; Y154-Q156 VanDerWaalsContact CE1-OE1 3.28Å; Y154-Q156 PolarHBondContact OH-OE1 3.19Å; Y154-W172 VanDerWaalsContact CB-CD2 3.42Å; Y154-W172 HydrophobicContact CD1-CB 3.99Å; Y154-W172 AromaticContact CD1-CD2 3.76Å; Y154-W172 HydrophobicContact CD1-CD2 3.76Å; Y154-W172 HydrophobicContact CD1-CE3 4.06Å; Y154-W172 AromaticContact CD1-CG 3.69Å; Y154-W172 HydrophobicContact CD1-CG 3.69Å; Y154-W172 HydrophobicContact CE1-CB 4.26Å; Y154-W172 HydrophobicContact CE1-CG 4.32Å; Y154-W172 AromaticContact CG-CD2 3.82Å; Y154-W172 HydrophobicContact CG-CD2 3.82Å; Y154-W172 AromaticContact CG-CE2 3.92Å; Y154-W172 HydrophobicContact CG-CE3 4.27Å; Y154-W172 AromaticContact CG-CG 3.99Å; Y154-W172 HydrophobicContact CG-CG 3.99Å; Y154-W172 HydrophobicContact CG-CZ2 4.43Å
155	V	98.3	Very high	95.2	Very high	11 Å²	11	58.4 Å²	58.4	7%	0.067	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	124.8	175.3	-175.4	0	0	0	0	108.5	L123 A125 I136 L145 W153	L123-V155 HydrophobicContact CB-CG1 4.5Å; L123-V155 HydrophobicContact CB-CG2 4.15Å; L123-V155 HydrophobicContact CD2-CG1 3.79Å; L123-V155 HydrophobicContact CD2-CG2 4.47Å; L123-V155 CarbonylContact O-C 3.51Å; L123-V155 WeakPolarHBondContact O-CA 3.43Å; A125-V155 HydrophobicContact CB-CG1 4.12Å; I136-V155 HydrophobicContact CD1-CG1 4.02Å; I136-V155 HydrophobicContact CG2-CB 4.04Å; I136-V155 HydrophobicContact CG2-CG1 3.79Å; L145-V155 HydrophobicContact CD1-CG2 3.43Å; L145-V155 VanDerWaalsContact CD1-CG2 3.43Å; W153-V155 HydrophobicContact CE3-CG2 4.11Å; W153-V155 HydrophobicContact CZ3-CG2 3.91Å
156	Q	98.5	Very high	95.2	Very high	25 Å²	25	58.5 Å²	58.5	12%	0.117	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	122.2	178.3	-179.7	58.7	60	0	0	109.7	L122 L123 F124 A125 Y154 T158 G165	L122-Q156 HydrophobicContact CD1-CB 4.18Å; L123-Q156 PolarHBondContact O-N 3.19Å; F124-Q156 HydrophobicContact CD1-CB 3.96Å; F124-Q156 HydrophobicContact CD1-CG 4.2Å; F124-Q156 HydrophobicContact CE1-CB 4.12Å; F124-Q156 HydrophobicContact CE1-CG 4.05Å; A125-Q156 PolarHBondContact N-O 3.14Å; Y154-Q156 HydrophobicContact CD1-CB 4.25Å; Y154-Q156 HydrophobicContact CE1-CB 3.78Å; Y154-Q156 HydrophobicContact CE1-CG 4.39Å; Y154-Q156 VanDerWaalsContact CE1-OE1 3.28Å; Y154-Q156 PolarHBondContact OH-OE1 3.19Å; Q156-T158 HydrophobicContact CG-CG2 3.91Å; Q156-T158 PolarHBondContact O-N 2.82Å; Q156-G165 WeakPolarHBondContact CG-O 3.27Å
157	A	98.6	Very high	95.3	Very high	36 Å²	36	57.4 Å²	57.4	30%	0.298	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	129.9	169.2	0	0	0	0	0	109.6	Q128 I136	Q128-A157 HydrophobicContact CG-CB 4.08Å; I136-A157 HydrophobicContact CD1-CB 3.89Å; I136-A157 HydrophobicContact CG1-CB 4.15Å
158	T	98.5	Very high	95.5	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.012	28%	0.283	C	S	.	.			trans	-140.3	154	-177.9	59.9	0	0	0	0	114.5	F124 A125 N126 K127 Q128 Q156 T164 L166	F124-T158 HydrophobicContact CB-CG2 4.37Å; F124-T158 HydrophobicContact CD1-CG2 3.22Å; F124-T158 HydrophobicContact CE1-CG2 3.61Å; F124-T158 HydrophobicContact CG-CG2 4.02Å; A125-T158 PolarHBondContact O-N 2.79Å; N126-T158 CarbonylContact C-O 3.57Å; N126-T158 WeakPolarHBondContact CA-O 3.13Å; N126-T158 VanDerWaalsContact CA-OG1 3.26Å; N126-T158 WeakPolarHBondContact CA-OG1 3.27Å; K127-T158 PolarHBondContact N-O 3.44Å; K127-T158 VanDerWaalsContact N-O 3.09Å; Q128-T158 PolarHBondContact N-O 3.23Å; Q128-T158 VanDerWaalsContact N-O 3.14Å; Q156-T158 HydrophobicContact CG-CG2 3.91Å; Q156-T158 PolarHBondContact O-N 2.82Å; T158-T164 VanDerWaalsContact CA-O 3.29Å; T158-T164 WeakPolarHBondContact CA-O 3.45Å; T158-L166 HydrophobicContact CG2-CD2 3.93Å
159	C	97.7	Very high	95.7	Very high	7 Å²	7	57.3 Å²	57.3	5%	0.047	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-128	99.1	164.6	178.6	0	0	0	0	107.8	D129 T161 Q162 G163 T164	D129-C159 PolarHBondContact OD1-SG 3.46Å; C159-T161 VanDerWaalsContact C-N 3.26Å; C159-T161 PolarHBondContact O-N 2.99Å; C159-T161 PolarHBondContact SG-OG1 2.93Å; C159-Q162 HydrophobicContact CB-CB 4.17Å; C159-Q162 PolarHBondContact O-N 3.38Å; C159-Q162 VanDerWaalsContact SG-CG 3.53Å; C159-Q162 PolarHBondContact SG-NE2 2.91Å; C159-G163 PolarHBondContact O-N 3.5Å; C159-T164 PolarHBondContact N-O 2.99Å; C159-T164 PolarHBondContact O-N 3.47Å
160	A	96.3	Very high	96	Very high	4 Å²	4	46.6 Å²	46.6	3%	0.033	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-35	-174	0	0	0	0	0	113.7	T32 I33 K36 N126	T32-A160 HydrophobicContact CG2-CB 3.87Å; I33-A160 HydrophobicContact CD1-CB 4.42Å; I33-A160 HydrophobicContact CG1-CB 3.5Å; I33-A160 VanDerWaalsContact CG1-CB 3.5Å; K36-A160 WeakPolarHBondContact CG-O 3.39Å; N126-A160 WeakPolarHBondContact OD1-CB 3.18Å; N126-A160 PolarHBondContact OD1-N 2.93Å
161	T	94.7	Very high	96.2	Very high	56 Å²	56	40.8 Å²	40.8	34%	0.344	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-44	178.7	50.6	0	0	0	0	110.9	T32 K36 I42 C159	T32-T161 HydrophobicContact CG2-CG2 4.32Å; K36-T161 PolarHBondContact NZ-O 3.08Å; K36-T161 VanDerWaalsContact NZ-O 3.12Å; I42-T161 WeakPolarHBondContact CD1-O 3.46Å; I42-T161 WeakPolarHBondContact CG1-O 3.4Å; I42-T161 HydrophobicContact CG2-CG2 4.5Å; C159-T161 VanDerWaalsContact C-N 3.26Å; C159-T161 PolarHBondContact O-N 2.99Å; C159-T161 PolarHBondContact SG-OG1 2.93Å
162	Q	93.6	Very high	96.3	Very high	125 Å²	125	41.3 Å²	41.3	58%	0.584	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-22	179.1	-62.1	179.6	47.5	0	0	112.7	C159	C159-Q162 HydrophobicContact CB-CB 4.17Å; C159-Q162 PolarHBondContact O-N 3.38Å; C159-Q162 VanDerWaalsContact SG-CG 3.53Å; C159-Q162 PolarHBondContact SG-NE2 2.91Å
163	G	94.4	Very high	96.2	Very high	8 Å²	8	39 Å²	39	8%	0.082	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	-2.5	-174.1	0	0	0	0	0	113.9	C159 G165 L166	C159-G163 PolarHBondContact O-N 3.5Å; G163-G165 PolarHBondContact O-N 3.29Å; G163-L166 PolarHBondContact O-N 3.16Å
164	T	96.6	Very high	95.8	Very high	78 Å²	78	35.8 Å²	35.8	48%	0.479	18%	0.181	S	C	.	.	B	Isolated β-bridge	trans	-60.5	132	-180	-49.2	0	0	0	0	111.1	T158 C159 L166	T158-T164 VanDerWaalsContact CA-O 3.29Å; T158-T164 WeakPolarHBondContact CA-O 3.45Å; C159-T164 PolarHBondContact N-O 2.99Å; C159-T164 PolarHBondContact O-N 3.47Å; T164-L166 PolarHBondContact O-N 2.87Å
165	G	97.5	Very high	95.6	Very high	3 Å²	3	35.6 Å²	35.6	3%	0.031	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	-13.7	177.5	0	0	0	0	0	114.8	Q156 G163 E168 G169	Q156-G165 WeakPolarHBondContact CG-O 3.27Å; G163-G165 PolarHBondContact O-N 3.29Å; G165-E168 WeakPolarHBondContact CA-OE2 3.01Å; G165-E168 PolarHBondContact N-OE2 3.13Å; G165-G169 PolarHBondContact O-N 2.96Å; G165-G169 VanDerWaalsContact O-N 3.12Å
166	L	95.6	Very high	95.3	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-65.4	-46.6	-176.3	-61.7	-174	0	0	0	111.3	I33 K36 L37 F124 T158 G163 T164 G169 L170	I33-L166 HydrophobicContact CD1-CD2 4.31Å; I33-L166 HydrophobicContact CG1-CD2 3.92Å; I33-L166 HydrophobicContact CG2-CD1 4.45Å; I33-L166 HydrophobicContact CG2-CD2 4.02Å; K36-L166 HydrophobicContact CB-CD1 4.01Å; K36-L166 HydrophobicContact CG-CD1 3.77Å; L37-L166 HydrophobicContact CD2-CB 4.15Å; L37-L166 HydrophobicContact CD2-CD1 4.39Å; L37-L166 HydrophobicContact CG-CD1 4.46Å; F124-L166 HydrophobicContact CE1-CD2 4.45Å; F124-L166 HydrophobicContact CE2-CD2 4.5Å; F124-L166 HydrophobicContact CZ-CD2 4.31Å; T158-L166 HydrophobicContact CG2-CD2 3.93Å; G163-L166 PolarHBondContact O-N 3.16Å; T164-L166 PolarHBondContact O-N 2.87Å; L166-G169 PolarHBondContact O-N 3.39Å; L166-L170 WeakPolarHBondContact O-CG 3.38Å; L166-L170 PolarHBondContact O-N 2.82Å
167	Y	93.8	Very high	94.9	Very high	105 Å²	105	35.8 Å²	35.8	41%	0.412	19%	0.186	S	C	.	.	H	α-helix	trans	-70.5	-36.8	-177.6	-65.9	-62.2	0	0	0	111.9	L37 Y58 L170 D171	L37-Y167 HydrophobicContact CD2-CD1 4.49Å; L37-Y167 HydrophobicContact CD2-CE1 4.17Å; Y58-Y167 HydrophobicContact CD2-CD1 4.15Å; Y58-Y167 HydrophobicContact CD2-CE1 4.35Å; Y58-Y167 AromaticContact CE2-CD1 3.35Å; Y58-Y167 HydrophobicContact CE2-CD1 3.35Å; Y58-Y167 AromaticContact CE2-CE1 3.88Å; Y58-Y167 HydrophobicContact CE2-CE1 3.88Å; Y58-Y167 HydrophobicContact CE2-CG 4.39Å; Y58-Y167 AromaticContact CZ-CD1 3.8Å; Y58-Y167 WeakPolarHBondContact OH-CB 3.43Å; Y58-Y167 PolarHBondContact OH-O 3.32Å; Y167-L170 PolarHBondContact O-N 2.99Å; Y167-D171 VanDerWaalsContact O-CB 3.24Å; Y167-D171 WeakPolarHBondContact O-CB 3.31Å; Y167-D171 PolarHBondContact O-N 3.31Å
168	E	96.2	Very high	94.3	Very high	104 Å²	104	37.3 Å²	37.3	49%	0.486	20%	0.195	S	C	.	.	H	α-helix	trans	-62.6	-43.6	175.7	-63.5	86.8	160.2	0	0	111.4	G165 D171 W172	G165-E168 WeakPolarHBondContact CA-OE2 3.01Å; G165-E168 PolarHBondContact N-OE2 3.13Å; E168-D171 PolarHBondContact O-N 2.65Å; E168-W172 PolarHBondContact O-N 2.75Å
169	G	96.8	Very high	93.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-66.3	-42.8	175.3	0	0	0	0	0	112.5	L122 G165 L166 D171 W172 L173	L122-G169 WeakPolarHBondContact CD2-O 3.49Å; G165-G169 PolarHBondContact O-N 2.96Å; G165-G169 VanDerWaalsContact O-N 3.12Å; L166-G169 PolarHBondContact O-N 3.39Å; G169-D171 VanDerWaalsContact C-N 3.32Å; G169-D171 PolarHBondContact O-N 3.22Å; G169-W172 PolarHBondContact O-N 2.95Å; G169-L173 WeakPolarHBondContact O-CB 3.46Å; G169-L173 PolarHBondContact O-N 2.91Å
170	L	93.8	Very high	92.7	Very high	5 Å²	5	51 Å²	51	3%	0.026	25%	0.249	C	C	.	.	H	α-helix	trans	-67.5	-32.5	175.8	-71.7	-176.2	0	0	0	113	L37 Y58 I89 L166 Y167 L173 S174	L37-L170 HydrophobicContact CD1-CD1 3.76Å; L37-L170 HydrophobicContact CD2-CD1 3.41Å; L37-L170 VanDerWaalsContact CD2-CD1 3.41Å; L37-L170 HydrophobicContact CG-CD1 4.2Å; Y58-L170 HydrophobicContact CD1-CB 3.81Å; Y58-L170 HydrophobicContact CD1-CD1 4.35Å; Y58-L170 HydrophobicContact CE1-CB 3.68Å; Y58-L170 HydrophobicContact CG-CD1 4.35Å; I89-L170 HydrophobicContact CD1-CD2 4Å; L166-L170 WeakPolarHBondContact O-CG 3.38Å; L166-L170 PolarHBondContact O-N 2.82Å; Y167-L170 PolarHBondContact O-N 2.99Å; L170-L173 HydrophobicContact CD2-CD2 4.46Å; L170-L173 PolarHBondContact O-N 3.42Å; L170-S174 WeakPolarHBondContact O-CB 3.47Å; L170-S174 PolarHBondContact O-N 3.2Å
171	D	93.5	Very high	92.5	Very high	46 Å²	46	53.4 Å²	53.4	25%	0.246	26%	0.26	C	S	.	.	H	α-helix	trans	-63.8	-47.7	174	-91.8	-5.3	0	0	0	111.2	Y58 K59 Y167 E168 G169 N175	Y58-D171 WeakPolarHBondContact CE1-OD1 3.48Å; Y58-D171 VanDerWaalsContact CZ-OD1 3.3Å; Y58-D171 PolarHBondContact OH-OD1 2.98Å; K59-D171 WeakPolarHBondContact CE-OD1 2.94Å; K59-D171 IonicContact NZ-OD1 2.65Å; K59-D171 PolarHBondContact NZ-OD1 3.01Å; K59-D171 IonicContact NZ-OD2 2.72Å; K59-D171 PolarHBondContact NZ-OD2 3.13Å; Y167-D171 VanDerWaalsContact O-CB 3.24Å; Y167-D171 WeakPolarHBondContact O-CB 3.31Å; Y167-D171 PolarHBondContact O-N 3.31Å; E168-D171 PolarHBondContact O-N 2.65Å; G169-D171 VanDerWaalsContact C-N 3.32Å; G169-D171 PolarHBondContact O-N 3.22Å; D171-N175 WeakPolarHBondContact O-CB 3.31Å; D171-N175 PolarHBondContact O-N 2.79Å; D171-N175 PolarHBondContact O-ND2 2.69Å; D171-N175 VanDerWaalsContact O-ND2 3.13Å
172	W	96	Very high	92.4	Very high	47 Å²	47	53.3 Å²	53.3	18%	0.178	26%	0.256	C	S	.	.	H	α-helix	trans	-58.2	-50.2	173.4	177	87.6	0	0	0	111.3	V120 L121 L122 T152 W153 Y154 E168 G169 S174 N175 E176	V120-W172 HydrophobicContact CG1-CH2 3.43Å; V120-W172 VanDerWaalsContact CG1-CH2 3.43Å; V120-W172 HydrophobicContact CG1-CZ2 4.4Å; V120-W172 HydrophobicContact CG1-CZ3 3.61Å; L121-W172 WeakPolarHBondContact O-CH2 3.13Å; L122-W172 HydrophobicContact CB-CE3 4.41Å; L122-W172 HydrophobicContact CB-CZ3 4.09Å; L122-W172 HydrophobicContact CD1-CE3 4.05Å; L122-W172 HydrophobicContact CD1-CZ3 4.38Å; T152-W172 HydrophobicContact CG2-CH2 4.04Å; T152-W172 HydrophobicContact CG2-CZ2 3.79Å; W153-W172 VanDerWaalsContact C-CH2 3.44Å; Y154-W172 VanDerWaalsContact CB-CD2 3.42Å; Y154-W172 HydrophobicContact CD1-CB 3.99Å; Y154-W172 AromaticContact CD1-CD2 3.76Å; Y154-W172 HydrophobicContact CD1-CD2 3.76Å; Y154-W172 HydrophobicContact CD1-CE3 4.06Å; Y154-W172 AromaticContact CD1-CG 3.69Å; Y154-W172 HydrophobicContact CD1-CG 3.69Å; Y154-W172 HydrophobicContact CE1-CB 4.26Å; Y154-W172 HydrophobicContact CE1-CG 4.32Å; Y154-W172 AromaticContact CG-CD2 3.82Å; Y154-W172 HydrophobicContact CG-CD2 3.82Å; Y154-W172 AromaticContact CG-CE2 3.92Å; Y154-W172 HydrophobicContact CG-CE3 4.27Å; Y154-W172 AromaticContact CG-CG 3.99Å; Y154-W172 HydrophobicContact CG-CG 3.99Å; Y154-W172 HydrophobicContact CG-CZ2 4.43Å; E168-W172 PolarHBondContact O-N 2.75Å; G169-W172 PolarHBondContact O-N 2.95Å; W172-S174 PolarHBondContact O-N 3.01Å; W172-N175 PolarHBondContact O-N 2.81Å; W172-E176 HydrophobicContact CD2-CG 4.06Å; W172-E176 HydrophobicContact CH2-CG 4.14Å; W172-E176 HydrophobicContact CZ2-CG 3.62Å; W172-E176 WeakPolarHBondContact O-CG 3.47Å; W172-E176 PolarHBondContact O-N 3.43Å
173	L	94.1	Very high	92.3	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-62	-46	-178.3	-179.3	63.4	0	0	0	111.7	I20 I89 V120 L122 G169 L170 N175 E176 L177	I20-L173 HydrophobicContact CD1-CD2 4.3Å; I89-L173 HydrophobicContact CD1-CD2 3.96Å; I89-L173 HydrophobicContact CG1-CD2 3.85Å; V120-L173 HydrophobicContact CB-CD1 4.01Å; V120-L173 HydrophobicContact CG1-CD1 3.76Å; L122-L173 HydrophobicContact CB-CD1 4.37Å; L122-L173 HydrophobicContact CB-CD2 4.36Å; L122-L173 HydrophobicContact CD2-CB 4.16Å; L122-L173 HydrophobicContact CD2-CD2 4.17Å; G169-L173 WeakPolarHBondContact O-CB 3.46Å; G169-L173 PolarHBondContact O-N 2.91Å; L170-L173 HydrophobicContact CD2-CD2 4.46Å; L170-L173 PolarHBondContact O-N 3.42Å; L173-N175 VanDerWaalsContact C-N 3.33Å; L173-N175 PolarHBondContact O-N 3.45Å; L173-E176 PolarHBondContact O-N 2.87Å; L173-L177 HydrophobicContact CD1-CD1 3.95Å; L173-L177 HydrophobicContact CD1-CG 4.12Å; L173-L177 HydrophobicContact CG-CD1 3.85Å; L173-L177 HydrophobicContact CG-CG 4.39Å; L173-L177 WeakPolarHBondContact O-CB 3.49Å; L173-L177 WeakPolarHBondContact O-CG 3.13Å; L173-L177 PolarHBondContact O-N 3.21Å
174	S	90.6	Very high	92.2	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.014	25%	0.246	C	C	.	.	H	α-helix	trans	-57.2	-46.5	176.2	177.8	0	0	0	0	111.4	I61 L170 W172 L177 S178	I61-S174 WeakPolarHBondContact CD1-OG 3.36Å; L170-S174 WeakPolarHBondContact O-CB 3.47Å; L170-S174 PolarHBondContact O-N 3.2Å; W172-S174 PolarHBondContact O-N 3.01Å; S174-L177 PolarHBondContact O-N 2.75Å; S174-S178 WeakPolarHBondContact O-CB 3.48Å; S174-S178 PolarHBondContact O-N 2.63Å
175	N	91.8	Very high	92	Very high	82 Å²	82	50.1 Å²	50.1	44%	0.439	23%	0.232	S	C	.	.	H	α-helix	trans	-62.6	-46.7	177.8	-71	-23.9	0	0	0	111.7	D171 W172 L173 L177 S178 K179	D171-N175 WeakPolarHBondContact O-CB 3.31Å; D171-N175 PolarHBondContact O-N 2.79Å; D171-N175 PolarHBondContact O-ND2 2.69Å; D171-N175 VanDerWaalsContact O-ND2 3.13Å; W172-N175 PolarHBondContact O-N 2.81Å; L173-N175 VanDerWaalsContact C-N 3.33Å; L173-N175 PolarHBondContact O-N 3.45Å; N175-L177 PolarHBondContact O-N 3.09Å; N175-S178 PolarHBondContact O-N 2.71Å; N175-S178 PolarHBondContact O-OG 3.17Å; N175-K179 WeakPolarHBondContact O-CG 3.08Å; N175-K179 PolarHBondContact O-N 2.69Å
176	E	93.7	Very high	91.6	Very high	36 Å²	36	53.2 Å²	53.2	17%	0.168	25%	0.245	C	C	.	.	H	α-helix	trans	-64.4	-38.9	178.1	-67.4	-47.8	135.5	0	0	112.8	V120 T152 W172 L173 S178 K179	V120-E176 HydrophobicContact CG1-CB 3.96Å; V120-E176 HydrophobicContact CG1-CG 4.45Å; V120-E176 HydrophobicContact CG2-CB 4.36Å; T152-E176 HydrophobicContact CG2-CB 4.45Å; T152-E176 HydrophobicContact CG2-CG 3.96Å; W172-E176 HydrophobicContact CD2-CG 4.06Å; W172-E176 HydrophobicContact CH2-CG 4.14Å; W172-E176 HydrophobicContact CZ2-CG 3.62Å; W172-E176 WeakPolarHBondContact O-CG 3.47Å; W172-E176 PolarHBondContact O-N 3.43Å; L173-E176 PolarHBondContact O-N 2.87Å; E176-S178 VanDerWaalsContact C-N 3.3Å; E176-S178 PolarHBondContact O-N 2.73Å; E176-K179 PolarHBondContact O-N 2.84Å; E176-K179 IonicContact OE1-NZ 2.64Å; E176-K179 PolarHBondContact OE1-NZ 3.15Å; E176-K179 IonicContact OE2-NZ 2.86Å; E176-K179 PolarHBondContact OE2-NZ 3.25Å
177	L	90.2	Very high	91.3	Very high	3 Å²	3	56.9 Å²	56.9	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-72	-24.8	177	-66.1	174.5	0	0	0	113	M18 I20 F63 Q86 V120 L173 S174 N175 K179 R180	M18-L177 HydrophobicContact CE-CB 3.88Å; M18-L177 WeakPolarHBondContact CE-O 3.25Å; I20-L177 HydrophobicContact CD1-CD1 3.64Å; F63-L177 HydrophobicContact CE1-CD1 3.99Å; Q86-L177 HydrophobicContact CB-CD2 4.18Å; Q86-L177 VanDerWaalsContact O-CD2 3.25Å; Q86-L177 WeakPolarHBondContact O-CD2 3.43Å; V120-L177 HydrophobicContact CB-CD2 4.07Å; V120-L177 HydrophobicContact CG2-CD2 3.77Å; L173-L177 HydrophobicContact CD1-CD1 3.95Å; L173-L177 HydrophobicContact CD1-CG 4.12Å; L173-L177 HydrophobicContact CG-CD1 3.85Å; L173-L177 HydrophobicContact CG-CG 4.39Å; L173-L177 WeakPolarHBondContact O-CB 3.49Å; L173-L177 WeakPolarHBondContact O-CG 3.13Å; L173-L177 PolarHBondContact O-N 3.21Å; S174-L177 PolarHBondContact O-N 2.75Å; N175-L177 PolarHBondContact O-N 3.09Å; L177-K179 VanDerWaalsContact C-N 3.3Å; L177-R180 PolarHBondContact O-N 2.89Å
178	S	85.7	Confident	91.1	Very high	69 Å²	69	53.2 Å²	53.2	48%	0.483	25%	0.251	S	S	.	.	H	α-helix	trans	-73.3	-21.8	175.9	77.2	0	0	0	0	113.5	S174 N175 E176 R180	S174-S178 WeakPolarHBondContact O-CB 3.48Å; S174-S178 PolarHBondContact O-N 2.63Å; N175-S178 PolarHBondContact O-N 2.71Å; N175-S178 PolarHBondContact O-OG 3.17Å; E176-S178 VanDerWaalsContact C-N 3.3Å; E176-S178 PolarHBondContact O-N 2.73Å; S178-R180 PolarHBondContact O-N 3.35Å
179	K	86.1	Confident	90.7	Very high	144 Å²	144	49 Å²	49	63%	0.626	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-10.6	176.8	-62.7	171.9	-165	170.1	0	113.2	N175 E176 L177	N175-K179 WeakPolarHBondContact O-CG 3.08Å; N175-K179 PolarHBondContact O-N 2.69Å; E176-K179 PolarHBondContact O-N 2.84Å; E176-K179 IonicContact OE1-NZ 2.64Å; E176-K179 PolarHBondContact OE1-NZ 3.15Å; E176-K179 IonicContact OE2-NZ 2.86Å; E176-K179 PolarHBondContact OE2-NZ 3.25Å; L177-K179 VanDerWaalsContact C-N 3.3Å
180	R	75.9	Confident	90.1	Very high	153 Å²	153	53.5 Å²	53.5	58%	0.577	25%	0.253	S	S	*	.			trans	-103.5	0	179.9	-61.8	-179.2	178.5	-112.3	4.2	110.7	K16 D118 L177 S178	K16-R180 PolarHBondContact NZ-OXT 3.31Å; D118-R180 PolarHBondContact O-NH1 3.02Å; D118-R180 VanDerWaalsContact O-NH1 3.14Å; D118-R180 PolarHBondContact O-NH2 3.18Å; L177-R180 PolarHBondContact O-N 2.89Å; S178-R180 PolarHBondContact O-N 3.35Å

Retrieved 180 of 180 residues in 105.7 ms (Link to these results)

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